HEADER 17-JUN-22 SMS21099 TITLE SOLUTION STRUCTURE OF U3-MYRTX-TB1A PEPTIDE FROM ANT VENOM. COMPND MOL_ID: 1; COMPND 2 MOLECULE: U3-MYRTX-TB1A; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1 KEYWDS ALPHA-HELIX EXPDTA NMR NUMMDL 15 AUTHOR F.PAQUET,M.TREILHOU,V.BARASSE JRNL AUTH V.BARASSE,N.TENE,F.PAQUET,J.LEPRINCE,M.TREILHOU,A.TOUCHARD, JRNL AUTH 2 E.BONNAFE JRNL TITL INTO THE DIVERSITY OF ANT VENOM PEPTIDOMES: INSIGHTS FROM JRNL TITL 2 MYRMICINE ANT SPECIES. JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : ARIA 2.3.1, CCPNMR 2.1 REMARK 3 AUTHORS : LINGE, O'DONOGHUE AND NILGES (ARIA), CCPN (CCPNMR) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: AND CARTESIAN SPACE DYNAMICS REMARK 4 REMARK 4 NULL COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON NULL. REMARK 100 THE BMRB ID CODE IS SMS21099. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 4.6 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H NOESY; 2D 1H-1H TOCSY; REMARK 210 2D 1H-15N HSQC; 2D 1H-13C HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 700 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CCPNMR 2.1, TOPSPIN 3.6.2 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1000 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 15 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 C LEU A 11 N MET A 12 1.31 REMARK 500 C VAL A 1 N LEU A 2 1.32 REMARK 500 C LYS A 20 N LEU A 21 1.32 REMARK 500 C LEU A 7 N LEU A 8 1.32 REMARK 500 C ALA A 9 N GLY A 10 1.32 REMARK 500 C MET A 12 N SER A 13 1.32 REMARK 500 C LEU A 21 N THR A 22 1.32 REMARK 500 C SER A 13 N LEU A 14 1.33 REMARK 500 C ALA A 4 N LEU A 5 1.33 REMARK 500 C LEU A 8 N ALA A 9 1.33 REMARK 500 C PHE A 16 N LEU A 17 1.33 REMARK 500 C PRO A 6 N LEU A 7 1.33 REMARK 500 C LEU A 17 N GLN A 18 1.33 REMARK 500 C THR A 22 N ASN A 23 1.33 REMARK 500 C GLN A 18 N HIS A 19 1.33 REMARK 500 C HIS A 19 N LYS A 20 1.33 REMARK 500 C LEU A 2 N PRO A 3 1.33 REMARK 500 C PRO A 15 N PHE A 16 1.33 REMARK 500 C GLY A 10 N LEU A 11 1.33 REMARK 500 C PRO A 3 N ALA A 4 1.34 REMARK 500 C LEU A 14 N PRO A 15 1.35 REMARK 500 C LEU A 5 N PRO A 6 1.36 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: SMS21098 RELATED DB: BMRB REMARK 900 RELATED ID: SMS21099 RELATED DB: BMRB REMARK 900 RELATED ID: SMS21100 RELATED DB: BMRB REMARK 900 RELATED ID: SMS21101 RELATED DB: BMRB SEQRES 1 A 23 VAL LEU PRO ALA LEU PRO LEU LEU ALA GLY LEU MET SER SEQRES 2 A 23 LEU PRO PHE LEU GLN HIS LYS LEU THR ASN CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 MODEL 1 ATOM 1 N VAL A 1 5.785 -7.128 2.369 1.00 1.27 N ATOM 2 CA VAL A 1 5.848 -6.356 1.102 1.00 1.06 C ATOM 3 C VAL A 1 6.783 -5.161 1.215 1.00 0.70 C ATOM 4 O VAL A 1 6.471 -4.071 0.741 1.00 1.03 O ATOM 5 CB VAL A 1 4.465 -5.832 0.670 1.00 1.23 C ATOM 6 CG1 VAL A 1 3.616 -6.942 0.079 1.00 1.80 C ATOM 7 CG2 VAL A 1 3.733 -5.167 1.831 1.00 1.58 C ATOM 8 H1 VAL A 1 5.432 -6.553 3.106 1.00 1.67 H ATOM 9 H2 VAL A 1 6.696 -7.452 2.622 1.00 1.64 H ATOM 10 H3 VAL A 1 5.184 -7.920 2.259 1.00 1.65 H ATOM 11 HA VAL A 1 6.221 -7.009 0.328 1.00 1.35 H ATOM 12 HB VAL A 1 4.631 -5.088 -0.087 1.00 1.79 H ATOM 13 HG11 VAL A 1 2.665 -6.540 -0.234 1.00 2.29 H ATOM 14 HG12 VAL A 1 3.456 -7.707 0.823 1.00 2.21 H ATOM 15 HG13 VAL A 1 4.124 -7.369 -0.773 1.00 2.30 H ATOM 16 HG21 VAL A 1 4.326 -4.346 2.209 1.00 2.05 H ATOM 17 HG22 VAL A 1 3.575 -5.889 2.618 1.00 2.00 H ATOM 18 HG23 VAL A 1 2.778 -4.793 1.488 1.00 2.09 H ATOM 19 N LEU A 2 7.936 -5.365 1.815 1.00 0.51 N ATOM 20 CA LEU A 2 8.850 -4.258 2.064 1.00 0.77 C ATOM 21 C LEU A 2 10.309 -4.698 2.134 1.00 0.48 C ATOM 22 O LEU A 2 10.867 -4.928 3.205 1.00 0.60 O ATOM 23 CB LEU A 2 8.459 -3.499 3.323 1.00 1.37 C ATOM 24 CG LEU A 2 8.307 -4.316 4.610 1.00 2.23 C ATOM 25 CD1 LEU A 2 8.537 -3.424 5.819 1.00 3.06 C ATOM 26 CD2 LEU A 2 6.923 -4.940 4.688 1.00 2.69 C ATOM 27 H LEU A 2 8.188 -6.275 2.071 1.00 0.74 H ATOM 28 HA LEU A 2 8.753 -3.583 1.227 1.00 1.13 H ATOM 29 HB2 LEU A 2 9.201 -2.744 3.490 1.00 1.34 H ATOM 30 HB3 LEU A 2 7.523 -3.014 3.122 1.00 1.54 H ATOM 31 HG LEU A 2 9.041 -5.107 4.625 1.00 2.48 H ATOM 32 HD11 LEU A 2 9.542 -3.033 5.790 1.00 3.41 H ATOM 33 HD12 LEU A 2 8.399 -4.000 6.721 1.00 3.47 H ATOM 34 HD13 LEU A 2 7.832 -2.607 5.803 1.00 3.48 H ATOM 35 HD21 LEU A 2 6.873 -5.605 5.537 1.00 3.03 H ATOM 36 HD22 LEU A 2 6.726 -5.495 3.780 1.00 3.01 H ATOM 37 HD23 LEU A 2 6.182 -4.161 4.798 1.00 3.05 H ATOM 38 N PRO A 3 10.930 -4.818 0.965 1.00 0.32 N ATOM 39 CA PRO A 3 12.337 -5.177 0.814 1.00 0.25 C ATOM 40 C PRO A 3 13.271 -3.976 1.000 1.00 0.28 C ATOM 41 O PRO A 3 14.205 -4.025 1.798 1.00 0.49 O ATOM 42 CB PRO A 3 12.408 -5.706 -0.632 1.00 0.45 C ATOM 43 CG PRO A 3 11.001 -5.659 -1.153 1.00 0.63 C ATOM 44 CD PRO A 3 10.293 -4.633 -0.321 1.00 0.54 C ATOM 45 HA PRO A 3 12.620 -5.961 1.501 1.00 0.36 H ATOM 46 HB2 PRO A 3 13.062 -5.073 -1.213 1.00 0.67 H ATOM 47 HB3 PRO A 3 12.793 -6.716 -0.627 1.00 0.55 H ATOM 48 HG2 PRO A 3 11.003 -5.364 -2.193 1.00 0.89 H ATOM 49 HG3 PRO A 3 10.533 -6.626 -1.037 1.00 0.97 H ATOM 50 HD2 PRO A 3 10.471 -3.640 -0.701 1.00 0.65 H ATOM 51 HD3 PRO A 3 9.230 -4.832 -0.248 1.00 0.82 H ATOM 52 N ALA A 4 12.998 -2.892 0.269 1.00 0.18 N ATOM 53 CA ALA A 4 13.812 -1.680 0.344 1.00 0.22 C ATOM 54 C ALA A 4 13.081 -0.488 -0.272 1.00 0.19 C ATOM 55 O ALA A 4 12.561 0.374 0.440 1.00 0.21 O ATOM 56 CB ALA A 4 15.149 -1.891 -0.349 1.00 0.30 C ATOM 57 H ALA A 4 12.234 -2.912 -0.339 1.00 0.21 H ATOM 58 HA ALA A 4 14.003 -1.471 1.387 1.00 0.27 H ATOM 59 HB1 ALA A 4 14.981 -2.075 -1.399 1.00 1.08 H ATOM 60 HB2 ALA A 4 15.653 -2.739 0.089 1.00 1.06 H ATOM 61 HB3 ALA A 4 15.760 -1.008 -0.232 1.00 1.07 H ATOM 62 N LEU A 5 13.026 -0.444 -1.596 1.00 0.23 N ATOM 63 CA LEU A 5 12.305 0.621 -2.283 1.00 0.27 C ATOM 64 C LEU A 5 10.793 0.452 -2.067 1.00 0.24 C ATOM 65 O LEU A 5 10.122 1.407 -1.676 1.00 0.26 O ATOM 66 CB LEU A 5 12.689 0.672 -3.780 1.00 0.41 C ATOM 67 CG LEU A 5 12.185 1.885 -4.581 1.00 1.24 C ATOM 68 CD1 LEU A 5 10.718 1.731 -4.955 1.00 1.89 C ATOM 69 CD2 LEU A 5 12.401 3.172 -3.797 1.00 2.00 C ATOM 70 H LEU A 5 13.482 -1.137 -2.124 1.00 0.28 H ATOM 71 HA LEU A 5 12.604 1.550 -1.821 1.00 0.29 H ATOM 72 HB2 LEU A 5 13.767 0.658 -3.845 1.00 0.90 H ATOM 73 HB3 LEU A 5 12.314 -0.217 -4.256 1.00 0.93 H ATOM 74 HG LEU A 5 12.751 1.958 -5.498 1.00 1.99 H ATOM 75 HD11 LEU A 5 10.395 2.597 -5.514 1.00 2.35 H ATOM 76 HD12 LEU A 5 10.125 1.640 -4.058 1.00 2.40 H ATOM 77 HD13 LEU A 5 10.593 0.846 -5.560 1.00 2.34 H ATOM 78 HD21 LEU A 5 13.446 3.266 -3.541 1.00 2.46 H ATOM 79 HD22 LEU A 5 11.809 3.149 -2.895 1.00 2.45 H ATOM 80 HD23 LEU A 5 12.102 4.015 -4.402 1.00 2.53 H ATOM 81 N PRO A 6 10.226 -0.764 -2.274 1.00 0.27 N ATOM 82 CA PRO A 6 8.822 -1.032 -1.940 1.00 0.31 C ATOM 83 C PRO A 6 8.565 -0.951 -0.434 1.00 0.27 C ATOM 84 O PRO A 6 7.425 -1.011 0.010 1.00 0.36 O ATOM 85 CB PRO A 6 8.571 -2.457 -2.447 1.00 0.39 C ATOM 86 CG PRO A 6 9.702 -2.755 -3.369 1.00 0.40 C ATOM 87 CD PRO A 6 10.867 -1.951 -2.874 1.00 0.32 C ATOM 88 HA PRO A 6 8.162 -0.345 -2.449 1.00 0.37 H ATOM 89 HB2 PRO A 6 8.556 -3.139 -1.609 1.00 0.39 H ATOM 90 HB3 PRO A 6 7.622 -2.495 -2.962 1.00 0.49 H ATOM 91 HG2 PRO A 6 9.933 -3.811 -3.336 1.00 0.42 H ATOM 92 HG3 PRO A 6 9.442 -2.459 -4.375 1.00 0.48 H ATOM 93 HD2 PRO A 6 11.428 -2.505 -2.133 1.00 0.30 H ATOM 94 HD3 PRO A 6 11.501 -1.675 -3.696 1.00 0.40 H ATOM 95 N LEU A 7 9.631 -0.824 0.347 1.00 0.19 N ATOM 96 CA LEU A 7 9.499 -0.714 1.791 1.00 0.23 C ATOM 97 C LEU A 7 8.830 0.601 2.153 1.00 0.24 C ATOM 98 O LEU A 7 7.839 0.619 2.867 1.00 0.35 O ATOM 99 CB LEU A 7 10.871 -0.852 2.471 1.00 0.27 C ATOM 100 CG LEU A 7 10.882 -0.836 4.006 1.00 0.45 C ATOM 101 CD1 LEU A 7 12.073 -1.624 4.524 1.00 0.69 C ATOM 102 CD2 LEU A 7 10.938 0.590 4.540 1.00 0.68 C ATOM 103 H LEU A 7 10.520 -0.784 -0.059 1.00 0.15 H ATOM 104 HA LEU A 7 8.863 -1.521 2.119 1.00 0.31 H ATOM 105 HB2 LEU A 7 11.312 -1.782 2.144 1.00 0.25 H ATOM 106 HB3 LEU A 7 11.497 -0.042 2.124 1.00 0.27 H ATOM 107 HG LEU A 7 9.982 -1.299 4.378 1.00 0.66 H ATOM 108 HD11 LEU A 7 11.998 -2.649 4.189 1.00 1.29 H ATOM 109 HD12 LEU A 7 12.080 -1.599 5.604 1.00 1.26 H ATOM 110 HD13 LEU A 7 12.985 -1.188 4.147 1.00 1.30 H ATOM 111 HD21 LEU A 7 10.071 1.136 4.197 1.00 1.29 H ATOM 112 HD22 LEU A 7 11.834 1.074 4.181 1.00 1.26 H ATOM 113 HD23 LEU A 7 10.947 0.570 5.620 1.00 1.28 H ATOM 114 N LEU A 8 9.359 1.702 1.650 1.00 0.18 N ATOM 115 CA LEU A 8 8.757 2.997 1.930 1.00 0.20 C ATOM 116 C LEU A 8 7.743 3.358 0.855 1.00 0.18 C ATOM 117 O LEU A 8 6.562 3.538 1.142 1.00 0.16 O ATOM 118 CB LEU A 8 9.820 4.087 2.043 1.00 0.33 C ATOM 119 CG LEU A 8 9.271 5.483 2.347 1.00 0.36 C ATOM 120 CD1 LEU A 8 8.497 5.483 3.656 1.00 0.61 C ATOM 121 CD2 LEU A 8 10.399 6.499 2.392 1.00 0.66 C ATOM 122 H LEU A 8 10.156 1.645 1.076 1.00 0.19 H ATOM 123 HA LEU A 8 8.234 2.916 2.873 1.00 0.21 H ATOM 124 HB2 LEU A 8 10.507 3.810 2.831 1.00 0.39 H ATOM 125 HB3 LEU A 8 10.363 4.132 1.112 1.00 0.37 H ATOM 126 HG LEU A 8 8.591 5.770 1.560 1.00 0.53 H ATOM 127 HD11 LEU A 8 8.151 6.483 3.869 1.00 1.23 H ATOM 128 HD12 LEU A 8 9.141 5.147 4.457 1.00 1.28 H ATOM 129 HD13 LEU A 8 7.649 4.820 3.574 1.00 1.21 H ATOM 130 HD21 LEU A 8 9.995 7.477 2.613 1.00 1.30 H ATOM 131 HD22 LEU A 8 10.898 6.525 1.436 1.00 1.24 H ATOM 132 HD23 LEU A 8 11.105 6.220 3.160 1.00 1.28 H ATOM 133 N ALA A 9 8.214 3.447 -0.382 1.00 0.28 N ATOM 134 CA ALA A 9 7.365 3.814 -1.508 1.00 0.38 C ATOM 135 C ALA A 9 6.200 2.844 -1.647 1.00 0.38 C ATOM 136 O ALA A 9 5.058 3.245 -1.887 1.00 0.44 O ATOM 137 CB ALA A 9 8.188 3.836 -2.782 1.00 0.51 C ATOM 138 H ALA A 9 9.161 3.258 -0.544 1.00 0.32 H ATOM 139 HA ALA A 9 6.980 4.808 -1.334 1.00 0.40 H ATOM 140 HB1 ALA A 9 7.560 4.113 -3.615 1.00 1.20 H ATOM 141 HB2 ALA A 9 8.605 2.853 -2.954 1.00 1.12 H ATOM 142 HB3 ALA A 9 8.989 4.552 -2.679 1.00 1.13 H ATOM 143 N GLY A 10 6.499 1.567 -1.469 1.00 0.35 N ATOM 144 CA GLY A 10 5.489 0.542 -1.577 1.00 0.45 C ATOM 145 C GLY A 10 4.468 0.619 -0.463 1.00 0.41 C ATOM 146 O GLY A 10 3.268 0.608 -0.718 1.00 0.52 O ATOM 147 H GLY A 10 7.421 1.319 -1.256 1.00 0.31 H ATOM 148 HA2 GLY A 10 4.985 0.650 -2.524 1.00 0.55 H ATOM 149 HA3 GLY A 10 5.968 -0.425 -1.546 1.00 0.48 H ATOM 150 N LEU A 11 4.945 0.738 0.774 1.00 0.29 N ATOM 151 CA LEU A 11 4.070 0.753 1.947 1.00 0.31 C ATOM 152 C LEU A 11 3.149 1.963 1.966 1.00 0.23 C ATOM 153 O LEU A 11 2.267 2.071 2.818 1.00 0.22 O ATOM 154 CB LEU A 11 4.902 0.715 3.224 1.00 0.35 C ATOM 155 CG LEU A 11 4.986 -0.658 3.889 1.00 0.53 C ATOM 156 CD1 LEU A 11 3.617 -1.105 4.377 1.00 0.65 C ATOM 157 CD2 LEU A 11 5.555 -1.671 2.913 1.00 0.57 C ATOM 158 H LEU A 11 5.915 0.813 0.906 1.00 0.23 H ATOM 159 HA LEU A 11 3.462 -0.137 1.907 1.00 0.43 H ATOM 160 HB2 LEU A 11 5.904 1.035 2.980 1.00 0.28 H ATOM 161 HB3 LEU A 11 4.486 1.413 3.930 1.00 0.37 H ATOM 162 HG LEU A 11 5.647 -0.604 4.741 1.00 0.59 H ATOM 163 HD11 LEU A 11 3.709 -2.049 4.893 1.00 1.25 H ATOM 164 HD12 LEU A 11 2.954 -1.222 3.533 1.00 1.20 H ATOM 165 HD13 LEU A 11 3.215 -0.363 5.051 1.00 1.22 H ATOM 166 HD21 LEU A 11 5.541 -2.653 3.361 1.00 1.16 H ATOM 167 HD22 LEU A 11 6.571 -1.400 2.668 1.00 1.17 H ATOM 168 HD23 LEU A 11 4.958 -1.674 2.013 1.00 1.19 H ATOM 169 N MET A 12 3.356 2.872 1.039 1.00 0.21 N ATOM 170 CA MET A 12 2.493 4.032 0.927 1.00 0.18 C ATOM 171 C MET A 12 1.331 3.765 -0.022 1.00 0.17 C ATOM 172 O MET A 12 0.174 3.708 0.391 1.00 0.17 O ATOM 173 CB MET A 12 3.291 5.230 0.428 1.00 0.21 C ATOM 174 CG MET A 12 4.392 5.664 1.383 1.00 0.24 C ATOM 175 SD MET A 12 3.792 5.992 3.055 1.00 1.46 S ATOM 176 CE MET A 12 2.638 7.328 2.753 1.00 2.10 C ATOM 177 H MET A 12 4.109 2.761 0.421 1.00 0.22 H ATOM 178 HA MET A 12 2.104 4.254 1.908 1.00 0.19 H ATOM 179 HB2 MET A 12 3.744 4.967 -0.522 1.00 0.23 H ATOM 180 HB3 MET A 12 2.620 6.063 0.280 1.00 0.22 H ATOM 181 HG2 MET A 12 5.132 4.880 1.432 1.00 0.82 H ATOM 182 HG3 MET A 12 4.850 6.564 0.998 1.00 0.85 H ATOM 183 HE1 MET A 12 1.856 6.986 2.092 1.00 2.56 H ATOM 184 HE2 MET A 12 3.159 8.156 2.295 1.00 2.58 H ATOM 185 HE3 MET A 12 2.205 7.648 3.690 1.00 2.52 H ATOM 186 N SER A 13 1.657 3.526 -1.283 1.00 0.19 N ATOM 187 CA SER A 13 0.651 3.490 -2.335 1.00 0.22 C ATOM 188 C SER A 13 0.080 2.089 -2.548 1.00 0.19 C ATOM 189 O SER A 13 -1.067 1.940 -2.976 1.00 0.22 O ATOM 190 CB SER A 13 1.261 4.022 -3.631 1.00 0.32 C ATOM 191 OG SER A 13 2.508 3.398 -3.898 1.00 1.27 O ATOM 192 H SER A 13 2.597 3.374 -1.516 1.00 0.22 H ATOM 193 HA SER A 13 -0.154 4.145 -2.039 1.00 0.24 H ATOM 194 HB2 SER A 13 0.589 3.823 -4.452 1.00 1.07 H ATOM 195 HB3 SER A 13 1.418 5.086 -3.542 1.00 1.01 H ATOM 196 HG SER A 13 3.225 4.025 -3.727 1.00 1.76 H ATOM 197 N LEU A 14 0.870 1.069 -2.244 1.00 0.21 N ATOM 198 CA LEU A 14 0.456 -0.310 -2.472 1.00 0.24 C ATOM 199 C LEU A 14 -0.710 -0.706 -1.567 1.00 0.21 C ATOM 200 O LEU A 14 -1.756 -1.107 -2.071 1.00 0.27 O ATOM 201 CB LEU A 14 1.634 -1.278 -2.301 1.00 0.30 C ATOM 202 CG LEU A 14 2.581 -1.398 -3.505 1.00 0.37 C ATOM 203 CD1 LEU A 14 1.913 -2.168 -4.633 1.00 0.95 C ATOM 204 CD2 LEU A 14 3.012 -0.025 -4.001 1.00 0.83 C ATOM 205 H LEU A 14 1.756 1.242 -1.857 1.00 0.24 H ATOM 206 HA LEU A 14 0.114 -0.371 -3.495 1.00 0.27 H ATOM 207 HB2 LEU A 14 2.215 -0.952 -1.452 1.00 0.29 H ATOM 208 HB3 LEU A 14 1.237 -2.255 -2.087 1.00 0.34 H ATOM 209 HG LEU A 14 3.466 -1.942 -3.207 1.00 0.79 H ATOM 210 HD11 LEU A 14 2.601 -2.265 -5.459 1.00 1.52 H ATOM 211 HD12 LEU A 14 1.032 -1.636 -4.959 1.00 1.53 H ATOM 212 HD13 LEU A 14 1.632 -3.150 -4.281 1.00 1.53 H ATOM 213 HD21 LEU A 14 3.234 0.612 -3.154 1.00 1.40 H ATOM 214 HD22 LEU A 14 2.212 0.412 -4.577 1.00 1.45 H ATOM 215 HD23 LEU A 14 3.889 -0.125 -4.618 1.00 1.47 H ATOM 216 N PRO A 15 -0.592 -0.573 -0.227 1.00 0.20 N ATOM 217 CA PRO A 15 -1.673 -0.969 0.660 1.00 0.23 C ATOM 218 C PRO A 15 -2.808 0.040 0.602 1.00 0.20 C ATOM 219 O PRO A 15 -3.957 -0.292 0.864 1.00 0.30 O ATOM 220 CB PRO A 15 -1.031 -1.000 2.044 1.00 0.32 C ATOM 221 CG PRO A 15 0.115 -0.054 1.964 1.00 0.31 C ATOM 222 CD PRO A 15 0.546 0.002 0.520 1.00 0.24 C ATOM 223 HA PRO A 15 -2.048 -1.952 0.409 1.00 0.26 H ATOM 224 HB2 PRO A 15 -1.754 -0.683 2.783 1.00 0.36 H ATOM 225 HB3 PRO A 15 -0.698 -2.002 2.267 1.00 0.39 H ATOM 226 HG2 PRO A 15 -0.198 0.925 2.293 1.00 0.34 H ATOM 227 HG3 PRO A 15 0.927 -0.411 2.580 1.00 0.40 H ATOM 228 HD2 PRO A 15 0.712 1.031 0.223 1.00 0.25 H ATOM 229 HD3 PRO A 15 1.441 -0.583 0.370 1.00 0.32 H ATOM 230 N PHE A 16 -2.469 1.271 0.227 1.00 0.16 N ATOM 231 CA PHE A 16 -3.448 2.334 0.075 1.00 0.22 C ATOM 232 C PHE A 16 -4.476 1.957 -0.983 1.00 0.22 C ATOM 233 O PHE A 16 -5.651 1.749 -0.682 1.00 0.32 O ATOM 234 CB PHE A 16 -2.736 3.622 -0.338 1.00 0.29 C ATOM 235 CG PHE A 16 -3.438 4.874 0.083 1.00 0.43 C ATOM 236 CD1 PHE A 16 -4.449 5.420 -0.690 1.00 0.57 C ATOM 237 CD2 PHE A 16 -3.071 5.509 1.254 1.00 0.76 C ATOM 238 CE1 PHE A 16 -5.083 6.583 -0.297 1.00 0.80 C ATOM 239 CE2 PHE A 16 -3.701 6.670 1.655 1.00 1.01 C ATOM 240 CZ PHE A 16 -4.708 7.209 0.878 1.00 0.98 C ATOM 241 H PHE A 16 -1.522 1.473 0.057 1.00 0.17 H ATOM 242 HA PHE A 16 -3.943 2.484 1.023 1.00 0.30 H ATOM 243 HB2 PHE A 16 -1.750 3.633 0.101 1.00 0.45 H ATOM 244 HB3 PHE A 16 -2.642 3.640 -1.414 1.00 0.40 H ATOM 245 HD1 PHE A 16 -4.743 4.929 -1.605 1.00 0.71 H ATOM 246 HD2 PHE A 16 -2.279 5.084 1.857 1.00 0.91 H ATOM 247 HE1 PHE A 16 -5.870 7.004 -0.906 1.00 0.97 H ATOM 248 HE2 PHE A 16 -3.405 7.157 2.572 1.00 1.32 H ATOM 249 HZ PHE A 16 -5.201 8.118 1.187 1.00 1.21 H ATOM 250 N LEU A 17 -4.006 1.847 -2.219 1.00 0.22 N ATOM 251 CA LEU A 17 -4.851 1.534 -3.364 1.00 0.33 C ATOM 252 C LEU A 17 -5.608 0.230 -3.129 1.00 0.33 C ATOM 253 O LEU A 17 -6.824 0.169 -3.303 1.00 0.44 O ATOM 254 CB LEU A 17 -3.979 1.439 -4.628 1.00 0.45 C ATOM 255 CG LEU A 17 -4.700 1.540 -5.984 1.00 1.03 C ATOM 256 CD1 LEU A 17 -5.503 0.284 -6.293 1.00 1.93 C ATOM 257 CD2 LEU A 17 -5.599 2.768 -6.021 1.00 1.50 C ATOM 258 H LEU A 17 -3.049 1.989 -2.367 1.00 0.22 H ATOM 259 HA LEU A 17 -5.563 2.337 -3.483 1.00 0.43 H ATOM 260 HB2 LEU A 17 -3.245 2.230 -4.584 1.00 0.63 H ATOM 261 HB3 LEU A 17 -3.456 0.494 -4.600 1.00 0.90 H ATOM 262 HG LEU A 17 -3.960 1.655 -6.764 1.00 1.42 H ATOM 263 HD11 LEU A 17 -6.257 0.141 -5.534 1.00 2.42 H ATOM 264 HD12 LEU A 17 -4.842 -0.570 -6.310 1.00 2.41 H ATOM 265 HD13 LEU A 17 -5.979 0.388 -7.258 1.00 2.41 H ATOM 266 HD21 LEU A 17 -6.384 2.661 -5.286 1.00 1.95 H ATOM 267 HD22 LEU A 17 -6.036 2.866 -7.003 1.00 2.00 H ATOM 268 HD23 LEU A 17 -5.014 3.648 -5.797 1.00 1.99 H ATOM 269 N GLN A 18 -4.884 -0.801 -2.710 1.00 0.30 N ATOM 270 CA GLN A 18 -5.478 -2.114 -2.483 1.00 0.40 C ATOM 271 C GLN A 18 -6.545 -2.065 -1.391 1.00 0.46 C ATOM 272 O GLN A 18 -7.566 -2.749 -1.485 1.00 0.56 O ATOM 273 CB GLN A 18 -4.389 -3.128 -2.134 1.00 0.48 C ATOM 274 CG GLN A 18 -3.427 -3.391 -3.285 1.00 0.66 C ATOM 275 CD GLN A 18 -2.223 -4.216 -2.877 1.00 1.28 C ATOM 276 OE1 GLN A 18 -2.301 -5.062 -1.984 1.00 2.28 O ATOM 277 NE2 GLN A 18 -1.099 -3.974 -3.533 1.00 1.17 N ATOM 278 H GLN A 18 -3.923 -0.678 -2.550 1.00 0.27 H ATOM 279 HA GLN A 18 -5.952 -2.421 -3.404 1.00 0.47 H ATOM 280 HB2 GLN A 18 -3.822 -2.756 -1.294 1.00 0.54 H ATOM 281 HB3 GLN A 18 -4.855 -4.062 -1.860 1.00 0.64 H ATOM 282 HG2 GLN A 18 -3.956 -3.918 -4.064 1.00 1.02 H ATOM 283 HG3 GLN A 18 -3.081 -2.441 -3.669 1.00 1.38 H ATOM 284 HE21 GLN A 18 -1.113 -3.286 -4.235 1.00 0.85 H ATOM 285 HE22 GLN A 18 -0.294 -4.481 -3.290 1.00 1.83 H ATOM 286 N HIS A 19 -6.324 -1.240 -0.374 1.00 0.46 N ATOM 287 CA HIS A 19 -7.302 -1.085 0.695 1.00 0.61 C ATOM 288 C HIS A 19 -8.524 -0.349 0.171 1.00 0.67 C ATOM 289 O HIS A 19 -9.647 -0.706 0.489 1.00 0.82 O ATOM 290 CB HIS A 19 -6.712 -0.314 1.877 1.00 0.71 C ATOM 291 CG HIS A 19 -7.430 -0.533 3.176 1.00 0.90 C ATOM 292 ND1 HIS A 19 -8.779 -0.290 3.362 1.00 1.24 N ATOM 293 CD2 HIS A 19 -6.968 -0.978 4.367 1.00 1.01 C ATOM 294 CE1 HIS A 19 -9.105 -0.575 4.608 1.00 1.42 C ATOM 295 NE2 HIS A 19 -8.026 -0.995 5.239 1.00 1.29 N ATOM 296 H HIS A 19 -5.484 -0.731 -0.336 1.00 0.42 H ATOM 297 HA HIS A 19 -7.598 -2.070 1.023 1.00 0.67 H ATOM 298 HB2 HIS A 19 -5.684 -0.616 2.016 1.00 0.75 H ATOM 299 HB3 HIS A 19 -6.743 0.744 1.655 1.00 0.79 H ATOM 300 HD1 HIS A 19 -9.412 0.041 2.679 1.00 1.42 H ATOM 301 HD2 HIS A 19 -5.949 -1.265 4.589 1.00 1.06 H ATOM 302 HE1 HIS A 19 -10.091 -0.480 5.039 1.00 1.72 H ATOM 303 HE2 HIS A 19 -7.953 -1.094 6.213 1.00 1.48 H ATOM 304 N LYS A 20 -8.298 0.664 -0.658 1.00 0.65 N ATOM 305 CA LYS A 20 -9.387 1.493 -1.162 1.00 0.81 C ATOM 306 C LYS A 20 -10.157 0.759 -2.242 1.00 0.82 C ATOM 307 O LYS A 20 -11.299 1.096 -2.549 1.00 0.98 O ATOM 308 CB LYS A 20 -8.860 2.813 -1.722 1.00 0.97 C ATOM 309 CG LYS A 20 -8.029 3.624 -0.739 1.00 0.98 C ATOM 310 CD LYS A 20 -8.743 3.845 0.595 1.00 1.26 C ATOM 311 CE LYS A 20 -9.925 4.809 0.488 1.00 1.81 C ATOM 312 NZ LYS A 20 -11.132 4.192 -0.133 1.00 2.38 N ATOM 313 H LYS A 20 -7.377 0.847 -0.951 1.00 0.60 H ATOM 314 HA LYS A 20 -10.052 1.702 -0.344 1.00 0.91 H ATOM 315 HB2 LYS A 20 -8.248 2.598 -2.580 1.00 1.52 H ATOM 316 HB3 LYS A 20 -9.699 3.414 -2.034 1.00 1.46 H ATOM 317 HG2 LYS A 20 -7.098 3.101 -0.556 1.00 1.41 H ATOM 318 HG3 LYS A 20 -7.814 4.586 -1.183 1.00 1.49 H ATOM 319 HD2 LYS A 20 -9.105 2.897 0.955 1.00 1.62 H ATOM 320 HD3 LYS A 20 -8.033 4.247 1.304 1.00 1.69 H ATOM 321 HE2 LYS A 20 -10.182 5.145 1.479 1.00 2.31 H ATOM 322 HE3 LYS A 20 -9.622 5.658 -0.107 1.00 2.26 H ATOM 323 HZ1 LYS A 20 -11.907 4.820 -0.066 1.00 2.71 H ATOM 324 HZ2 LYS A 20 -11.371 3.336 0.337 1.00 2.79 H ATOM 325 HZ3 LYS A 20 -10.962 3.993 -1.099 1.00 2.74 H ATOM 326 N LEU A 21 -9.510 -0.235 -2.819 1.00 0.74 N ATOM 327 CA LEU A 21 -10.112 -1.065 -3.843 1.00 0.86 C ATOM 328 C LEU A 21 -11.249 -1.882 -3.235 1.00 0.96 C ATOM 329 O LEU A 21 -12.292 -2.081 -3.860 1.00 1.14 O ATOM 330 CB LEU A 21 -9.030 -1.967 -4.444 1.00 0.84 C ATOM 331 CG LEU A 21 -9.306 -2.509 -5.852 1.00 1.10 C ATOM 332 CD1 LEU A 21 -8.008 -2.953 -6.505 1.00 1.65 C ATOM 333 CD2 LEU A 21 -10.290 -3.671 -5.810 1.00 1.80 C ATOM 334 H LEU A 21 -8.580 -0.409 -2.555 1.00 0.66 H ATOM 335 HA LEU A 21 -10.509 -0.419 -4.612 1.00 0.99 H ATOM 336 HB2 LEU A 21 -8.106 -1.405 -4.471 1.00 0.79 H ATOM 337 HB3 LEU A 21 -8.893 -2.808 -3.784 1.00 0.80 H ATOM 338 HG LEU A 21 -9.735 -1.725 -6.458 1.00 1.61 H ATOM 339 HD11 LEU A 21 -8.213 -3.333 -7.494 1.00 2.13 H ATOM 340 HD12 LEU A 21 -7.552 -3.728 -5.907 1.00 2.12 H ATOM 341 HD13 LEU A 21 -7.335 -2.111 -6.576 1.00 2.18 H ATOM 342 HD21 LEU A 21 -9.869 -4.478 -5.229 1.00 2.31 H ATOM 343 HD22 LEU A 21 -10.485 -4.015 -6.815 1.00 2.31 H ATOM 344 HD23 LEU A 21 -11.213 -3.344 -5.356 1.00 2.27 H ATOM 345 N THR A 22 -11.054 -2.327 -2.003 1.00 0.92 N ATOM 346 CA THR A 22 -12.080 -3.078 -1.304 1.00 1.10 C ATOM 347 C THR A 22 -12.923 -2.155 -0.418 1.00 1.19 C ATOM 348 O THR A 22 -14.149 -2.268 -0.388 1.00 1.44 O ATOM 349 CB THR A 22 -11.476 -4.237 -0.471 1.00 1.19 C ATOM 350 OG1 THR A 22 -12.495 -4.879 0.302 1.00 1.81 O ATOM 351 CG2 THR A 22 -10.357 -3.754 0.442 1.00 1.51 C ATOM 352 H THR A 22 -10.203 -2.140 -1.553 1.00 0.84 H ATOM 353 HA THR A 22 -12.726 -3.512 -2.053 1.00 1.23 H ATOM 354 HB THR A 22 -11.061 -4.961 -1.158 1.00 1.62 H ATOM 355 HG1 THR A 22 -13.169 -5.235 -0.294 1.00 2.30 H ATOM 356 HG21 THR A 22 -9.554 -3.345 -0.157 1.00 1.97 H ATOM 357 HG22 THR A 22 -9.984 -4.582 1.027 1.00 2.04 H ATOM 358 HG23 THR A 22 -10.735 -2.988 1.104 1.00 1.95 H ATOM 359 N ASN A 23 -12.269 -1.222 0.264 1.00 1.13 N ATOM 360 CA ASN A 23 -12.948 -0.280 1.147 1.00 1.33 C ATOM 361 C ASN A 23 -11.989 0.830 1.558 1.00 1.94 C ATOM 362 O ASN A 23 -11.206 0.624 2.509 1.00 2.64 O ATOM 363 CB ASN A 23 -13.492 -0.992 2.393 1.00 1.97 C ATOM 364 CG ASN A 23 -14.250 -0.055 3.318 1.00 2.54 C ATOM 365 OD1 ASN A 23 -15.461 0.130 3.185 1.00 3.05 O ATOM 366 ND2 ASN A 23 -13.544 0.542 4.263 1.00 3.13 N ATOM 367 OXT ASN A 23 -12.006 1.901 0.919 1.00 2.58 O ATOM 368 H ASN A 23 -11.291 -1.156 0.174 1.00 1.07 H ATOM 369 HA ASN A 23 -13.771 0.154 0.599 1.00 1.77 H ATOM 370 HB2 ASN A 23 -14.163 -1.780 2.086 1.00 2.48 H ATOM 371 HB3 ASN A 23 -12.667 -1.422 2.944 1.00 2.44 H ATOM 372 HD21 ASN A 23 -12.583 0.351 4.311 1.00 3.26 H ATOM 373 HD22 ASN A 23 -14.007 1.152 4.877 1.00 3.71 H TER 374 ASN A 23 ENDMDL MODEL 2 ATOM 1 N VAL A 1 5.936 -7.226 1.347 1.00 1.27 N ATOM 2 CA VAL A 1 5.723 -6.040 0.485 1.00 1.06 C ATOM 3 C VAL A 1 6.647 -4.903 0.917 1.00 0.70 C ATOM 4 O VAL A 1 6.319 -3.728 0.794 1.00 1.03 O ATOM 5 CB VAL A 1 4.238 -5.576 0.536 1.00 1.23 C ATOM 6 CG1 VAL A 1 3.924 -4.539 -0.539 1.00 1.80 C ATOM 7 CG2 VAL A 1 3.301 -6.766 0.402 1.00 1.58 C ATOM 8 H1 VAL A 1 5.333 -7.970 1.062 1.00 1.67 H ATOM 9 H2 VAL A 1 5.741 -7.000 2.300 1.00 1.64 H ATOM 10 H3 VAL A 1 6.886 -7.533 1.274 1.00 1.65 H ATOM 11 HA VAL A 1 5.969 -6.314 -0.524 1.00 1.35 H ATOM 12 HB VAL A 1 4.063 -5.121 1.499 1.00 1.79 H ATOM 13 HG11 VAL A 1 2.886 -4.243 -0.463 1.00 2.29 H ATOM 14 HG12 VAL A 1 4.107 -4.964 -1.515 1.00 2.21 H ATOM 15 HG13 VAL A 1 4.555 -3.672 -0.399 1.00 2.30 H ATOM 16 HG21 VAL A 1 3.498 -7.471 1.194 1.00 2.05 H ATOM 17 HG22 VAL A 1 3.461 -7.244 -0.553 1.00 2.00 H ATOM 18 HG23 VAL A 1 2.278 -6.427 0.469 1.00 2.09 H ATOM 19 N LEU A 2 7.825 -5.259 1.406 1.00 0.51 N ATOM 20 CA LEU A 2 8.765 -4.255 1.898 1.00 0.77 C ATOM 21 C LEU A 2 10.208 -4.759 1.927 1.00 0.48 C ATOM 22 O LEU A 2 10.760 -5.102 2.973 1.00 0.60 O ATOM 23 CB LEU A 2 8.350 -3.730 3.268 1.00 1.37 C ATOM 24 CG LEU A 2 8.305 -4.739 4.427 1.00 2.23 C ATOM 25 CD1 LEU A 2 8.382 -4.011 5.759 1.00 3.06 C ATOM 26 CD2 LEU A 2 7.039 -5.579 4.372 1.00 2.69 C ATOM 27 H LEU A 2 8.077 -6.207 1.406 1.00 0.74 H ATOM 28 HA LEU A 2 8.725 -3.431 1.201 1.00 1.13 H ATOM 29 HB2 LEU A 2 9.033 -2.944 3.532 1.00 1.34 H ATOM 30 HB3 LEU A 2 7.370 -3.302 3.157 1.00 1.54 H ATOM 31 HG LEU A 2 9.156 -5.401 4.356 1.00 2.48 H ATOM 32 HD11 LEU A 2 7.544 -3.336 5.850 1.00 3.41 H ATOM 33 HD12 LEU A 2 9.303 -3.450 5.811 1.00 3.47 H ATOM 34 HD13 LEU A 2 8.353 -4.731 6.565 1.00 3.48 H ATOM 35 HD21 LEU A 2 7.044 -6.290 5.185 1.00 3.03 H ATOM 36 HD22 LEU A 2 6.998 -6.107 3.431 1.00 3.01 H ATOM 37 HD23 LEU A 2 6.176 -4.935 4.461 1.00 3.05 H ATOM 38 N PRO A 3 10.824 -4.797 0.750 1.00 0.32 N ATOM 39 CA PRO A 3 12.211 -5.210 0.559 1.00 0.25 C ATOM 40 C PRO A 3 13.198 -4.074 0.839 1.00 0.28 C ATOM 41 O PRO A 3 14.126 -4.224 1.636 1.00 0.49 O ATOM 42 CB PRO A 3 12.251 -5.612 -0.930 1.00 0.45 C ATOM 43 CG PRO A 3 10.856 -5.403 -1.451 1.00 0.63 C ATOM 44 CD PRO A 3 10.200 -4.442 -0.504 1.00 0.54 C ATOM 45 HA PRO A 3 12.460 -6.063 1.173 1.00 0.36 H ATOM 46 HB2 PRO A 3 12.961 -4.987 -1.450 1.00 0.67 H ATOM 47 HB3 PRO A 3 12.550 -6.646 -1.015 1.00 0.55 H ATOM 48 HG2 PRO A 3 10.894 -4.984 -2.445 1.00 0.89 H ATOM 49 HG3 PRO A 3 10.324 -6.342 -1.461 1.00 0.97 H ATOM 50 HD2 PRO A 3 10.426 -3.423 -0.772 1.00 0.65 H ATOM 51 HD3 PRO A 3 9.127 -4.594 -0.445 1.00 0.82 H ATOM 52 N ALA A 4 12.968 -2.930 0.192 1.00 0.18 N ATOM 53 CA ALA A 4 13.821 -1.756 0.351 1.00 0.22 C ATOM 54 C ALA A 4 13.120 -0.510 -0.184 1.00 0.19 C ATOM 55 O ALA A 4 12.568 0.281 0.582 1.00 0.21 O ATOM 56 CB ALA A 4 15.152 -1.961 -0.355 1.00 0.30 C ATOM 57 H ALA A 4 12.203 -2.879 -0.413 1.00 0.21 H ATOM 58 HA ALA A 4 14.013 -1.624 1.405 1.00 0.27 H ATOM 59 HB1 ALA A 4 14.982 -2.066 -1.416 1.00 1.08 H ATOM 60 HB2 ALA A 4 15.626 -2.853 0.024 1.00 1.06 H ATOM 61 HB3 ALA A 4 15.791 -1.109 -0.176 1.00 1.07 H ATOM 62 N LEU A 5 13.116 -0.343 -1.500 1.00 0.23 N ATOM 63 CA LEU A 5 12.416 0.781 -2.109 1.00 0.27 C ATOM 64 C LEU A 5 10.901 0.638 -1.916 1.00 0.24 C ATOM 65 O LEU A 5 10.251 1.582 -1.464 1.00 0.26 O ATOM 66 CB LEU A 5 12.784 0.938 -3.592 1.00 0.41 C ATOM 67 CG LEU A 5 12.060 2.067 -4.328 1.00 1.24 C ATOM 68 CD1 LEU A 5 12.397 3.415 -3.711 1.00 1.89 C ATOM 69 CD2 LEU A 5 12.422 2.050 -5.804 1.00 2.00 C ATOM 70 H LEU A 5 13.595 -0.982 -2.073 1.00 0.28 H ATOM 71 HA LEU A 5 12.734 1.669 -1.582 1.00 0.29 H ATOM 72 HB2 LEU A 5 13.844 1.125 -3.657 1.00 0.90 H ATOM 73 HB3 LEU A 5 12.571 0.016 -4.100 1.00 0.93 H ATOM 74 HG LEU A 5 10.993 1.918 -4.243 1.00 1.99 H ATOM 75 HD11 LEU A 5 11.890 4.198 -4.254 1.00 2.35 H ATOM 76 HD12 LEU A 5 13.465 3.577 -3.759 1.00 2.40 H ATOM 77 HD13 LEU A 5 12.078 3.429 -2.680 1.00 2.34 H ATOM 78 HD21 LEU A 5 12.134 1.103 -6.235 1.00 2.46 H ATOM 79 HD22 LEU A 5 13.487 2.185 -5.913 1.00 2.45 H ATOM 80 HD23 LEU A 5 11.905 2.850 -6.312 1.00 2.53 H ATOM 81 N PRO A 6 10.304 -0.542 -2.224 1.00 0.27 N ATOM 82 CA PRO A 6 8.888 -0.794 -1.935 1.00 0.31 C ATOM 83 C PRO A 6 8.595 -0.818 -0.433 1.00 0.27 C ATOM 84 O PRO A 6 7.443 -0.874 -0.022 1.00 0.36 O ATOM 85 CB PRO A 6 8.609 -2.168 -2.555 1.00 0.39 C ATOM 86 CG PRO A 6 9.737 -2.411 -3.492 1.00 0.40 C ATOM 87 CD PRO A 6 10.919 -1.695 -2.909 1.00 0.32 C ATOM 88 HA PRO A 6 8.257 -0.053 -2.404 1.00 0.37 H ATOM 89 HB2 PRO A 6 8.574 -2.916 -1.777 1.00 0.39 H ATOM 90 HB3 PRO A 6 7.664 -2.143 -3.077 1.00 0.49 H ATOM 91 HG2 PRO A 6 9.936 -3.470 -3.563 1.00 0.42 H ATOM 92 HG3 PRO A 6 9.498 -2.009 -4.466 1.00 0.48 H ATOM 93 HD2 PRO A 6 11.443 -2.327 -2.207 1.00 0.30 H ATOM 94 HD3 PRO A 6 11.579 -1.372 -3.693 1.00 0.40 H ATOM 95 N LEU A 7 9.639 -0.783 0.389 1.00 0.19 N ATOM 96 CA LEU A 7 9.456 -0.737 1.832 1.00 0.23 C ATOM 97 C LEU A 7 8.804 0.581 2.226 1.00 0.24 C ATOM 98 O LEU A 7 7.816 0.598 2.950 1.00 0.35 O ATOM 99 CB LEU A 7 10.798 -0.937 2.554 1.00 0.27 C ATOM 100 CG LEU A 7 10.748 -0.960 4.088 1.00 0.45 C ATOM 101 CD1 LEU A 7 11.850 -1.857 4.632 1.00 0.69 C ATOM 102 CD2 LEU A 7 10.896 0.444 4.659 1.00 0.68 C ATOM 103 H LEU A 7 10.544 -0.773 0.017 1.00 0.15 H ATOM 104 HA LEU A 7 8.790 -1.541 2.102 1.00 0.31 H ATOM 105 HB2 LEU A 7 11.221 -1.873 2.220 1.00 0.25 H ATOM 106 HB3 LEU A 7 11.460 -0.139 2.252 1.00 0.27 H ATOM 107 HG LEU A 7 9.798 -1.358 4.410 1.00 0.66 H ATOM 108 HD11 LEU A 7 11.801 -1.872 5.712 1.00 1.29 H ATOM 109 HD12 LEU A 7 12.810 -1.476 4.321 1.00 1.26 H ATOM 110 HD13 LEU A 7 11.718 -2.859 4.251 1.00 1.30 H ATOM 111 HD21 LEU A 7 10.091 1.066 4.296 1.00 1.29 H ATOM 112 HD22 LEU A 7 11.842 0.863 4.347 1.00 1.26 H ATOM 113 HD23 LEU A 7 10.859 0.401 5.737 1.00 1.28 H ATOM 114 N LEU A 8 9.345 1.686 1.737 1.00 0.18 N ATOM 115 CA LEU A 8 8.742 2.983 2.004 1.00 0.20 C ATOM 116 C LEU A 8 7.747 3.340 0.915 1.00 0.18 C ATOM 117 O LEU A 8 6.560 3.499 1.180 1.00 0.16 O ATOM 118 CB LEU A 8 9.805 4.076 2.118 1.00 0.33 C ATOM 119 CG LEU A 8 9.247 5.492 2.283 1.00 0.36 C ATOM 120 CD1 LEU A 8 8.432 5.611 3.563 1.00 0.61 C ATOM 121 CD2 LEU A 8 10.369 6.517 2.261 1.00 0.66 C ATOM 122 H LEU A 8 10.156 1.626 1.178 1.00 0.19 H ATOM 123 HA LEU A 8 8.210 2.912 2.942 1.00 0.21 H ATOM 124 HB2 LEU A 8 10.432 3.854 2.969 1.00 0.39 H ATOM 125 HB3 LEU A 8 10.413 4.054 1.227 1.00 0.37 H ATOM 126 HG LEU A 8 8.587 5.702 1.455 1.00 0.53 H ATOM 127 HD11 LEU A 8 9.032 5.292 4.402 1.00 1.23 H ATOM 128 HD12 LEU A 8 7.552 4.987 3.488 1.00 1.28 H ATOM 129 HD13 LEU A 8 8.133 6.639 3.703 1.00 1.21 H ATOM 130 HD21 LEU A 8 11.060 6.311 3.065 1.00 1.30 H ATOM 131 HD22 LEU A 8 9.954 7.506 2.386 1.00 1.24 H ATOM 132 HD23 LEU A 8 10.889 6.461 1.316 1.00 1.28 H ATOM 133 N ALA A 9 8.240 3.432 -0.314 1.00 0.28 N ATOM 134 CA ALA A 9 7.419 3.832 -1.449 1.00 0.38 C ATOM 135 C ALA A 9 6.263 2.864 -1.654 1.00 0.38 C ATOM 136 O ALA A 9 5.138 3.269 -1.956 1.00 0.44 O ATOM 137 CB ALA A 9 8.279 3.902 -2.698 1.00 0.51 C ATOM 138 H ALA A 9 9.185 3.216 -0.464 1.00 0.32 H ATOM 139 HA ALA A 9 7.026 4.818 -1.252 1.00 0.40 H ATOM 140 HB1 ALA A 9 9.059 4.635 -2.557 1.00 1.20 H ATOM 141 HB2 ALA A 9 7.669 4.179 -3.544 1.00 1.12 H ATOM 142 HB3 ALA A 9 8.727 2.934 -2.875 1.00 1.13 H ATOM 143 N GLY A 10 6.546 1.585 -1.464 1.00 0.35 N ATOM 144 CA GLY A 10 5.537 0.566 -1.638 1.00 0.45 C ATOM 145 C GLY A 10 4.510 0.584 -0.527 1.00 0.41 C ATOM 146 O GLY A 10 3.311 0.504 -0.787 1.00 0.52 O ATOM 147 H GLY A 10 7.452 1.332 -1.197 1.00 0.31 H ATOM 148 HA2 GLY A 10 5.041 0.727 -2.580 1.00 0.55 H ATOM 149 HA3 GLY A 10 6.017 -0.402 -1.654 1.00 0.48 H ATOM 150 N LEU A 11 4.971 0.723 0.716 1.00 0.29 N ATOM 151 CA LEU A 11 4.072 0.761 1.870 1.00 0.31 C ATOM 152 C LEU A 11 3.200 2.005 1.862 1.00 0.23 C ATOM 153 O LEU A 11 2.347 2.186 2.729 1.00 0.22 O ATOM 154 CB LEU A 11 4.864 0.697 3.168 1.00 0.35 C ATOM 155 CG LEU A 11 4.868 -0.669 3.851 1.00 0.53 C ATOM 156 CD1 LEU A 11 3.461 -1.065 4.277 1.00 0.65 C ATOM 157 CD2 LEU A 11 5.455 -1.714 2.926 1.00 0.57 C ATOM 158 H LEU A 11 5.942 0.791 0.866 1.00 0.23 H ATOM 159 HA LEU A 11 3.434 -0.108 1.810 1.00 0.43 H ATOM 160 HB2 LEU A 11 5.885 0.970 2.948 1.00 0.28 H ATOM 161 HB3 LEU A 11 4.458 1.423 3.853 1.00 0.37 H ATOM 162 HG LEU A 11 5.482 -0.622 4.737 1.00 0.59 H ATOM 163 HD11 LEU A 11 3.495 -2.017 4.785 1.00 1.25 H ATOM 164 HD12 LEU A 11 2.829 -1.146 3.404 1.00 1.20 H ATOM 165 HD13 LEU A 11 3.062 -0.315 4.942 1.00 1.22 H ATOM 166 HD21 LEU A 11 5.373 -2.689 3.384 1.00 1.16 H ATOM 167 HD22 LEU A 11 6.495 -1.488 2.743 1.00 1.17 H ATOM 168 HD23 LEU A 11 4.916 -1.707 1.989 1.00 1.19 H ATOM 169 N MET A 12 3.426 2.862 0.893 1.00 0.21 N ATOM 170 CA MET A 12 2.588 4.028 0.714 1.00 0.18 C ATOM 171 C MET A 12 1.390 3.696 -0.167 1.00 0.17 C ATOM 172 O MET A 12 0.250 3.693 0.292 1.00 0.17 O ATOM 173 CB MET A 12 3.387 5.163 0.079 1.00 0.21 C ATOM 174 CG MET A 12 4.540 5.659 0.938 1.00 0.24 C ATOM 175 SD MET A 12 4.014 6.224 2.570 1.00 1.46 S ATOM 176 CE MET A 12 2.941 7.587 2.129 1.00 2.10 C ATOM 177 H MET A 12 4.183 2.706 0.289 1.00 0.22 H ATOM 178 HA MET A 12 2.239 4.342 1.685 1.00 0.19 H ATOM 179 HB2 MET A 12 3.791 4.809 -0.863 1.00 0.23 H ATOM 180 HB3 MET A 12 2.724 5.993 -0.113 1.00 0.22 H ATOM 181 HG2 MET A 12 5.246 4.852 1.068 1.00 0.82 H ATOM 182 HG3 MET A 12 5.024 6.478 0.428 1.00 0.85 H ATOM 183 HE1 MET A 12 2.106 7.217 1.553 1.00 2.56 H ATOM 184 HE2 MET A 12 3.493 8.305 1.542 1.00 2.58 H ATOM 185 HE3 MET A 12 2.576 8.062 3.028 1.00 2.52 H ATOM 186 N SER A 13 1.667 3.332 -1.411 1.00 0.19 N ATOM 187 CA SER A 13 0.625 3.201 -2.425 1.00 0.22 C ATOM 188 C SER A 13 0.014 1.801 -2.463 1.00 0.19 C ATOM 189 O SER A 13 -1.186 1.643 -2.704 1.00 0.22 O ATOM 190 CB SER A 13 1.213 3.555 -3.789 1.00 0.32 C ATOM 191 OG SER A 13 2.483 2.944 -3.961 1.00 1.27 O ATOM 192 H SER A 13 2.599 3.148 -1.660 1.00 0.22 H ATOM 193 HA SER A 13 -0.152 3.910 -2.189 1.00 0.24 H ATOM 194 HB2 SER A 13 0.550 3.209 -4.567 1.00 1.07 H ATOM 195 HB3 SER A 13 1.330 4.625 -3.863 1.00 1.01 H ATOM 196 HG SER A 13 3.175 3.612 -3.864 1.00 1.76 H ATOM 197 N LEU A 14 0.834 0.791 -2.209 1.00 0.21 N ATOM 198 CA LEU A 14 0.411 -0.599 -2.338 1.00 0.24 C ATOM 199 C LEU A 14 -0.717 -0.972 -1.366 1.00 0.21 C ATOM 200 O LEU A 14 -1.675 -1.631 -1.771 1.00 0.27 O ATOM 201 CB LEU A 14 1.604 -1.548 -2.175 1.00 0.30 C ATOM 202 CG LEU A 14 2.494 -1.723 -3.419 1.00 0.37 C ATOM 203 CD1 LEU A 14 1.732 -2.445 -4.520 1.00 0.95 C ATOM 204 CD2 LEU A 14 3.001 -0.380 -3.929 1.00 0.83 C ATOM 205 H LEU A 14 1.753 0.981 -1.923 1.00 0.24 H ATOM 206 HA LEU A 14 0.028 -0.714 -3.341 1.00 0.27 H ATOM 207 HB2 LEU A 14 2.222 -1.175 -1.370 1.00 0.29 H ATOM 208 HB3 LEU A 14 1.226 -2.515 -1.893 1.00 0.34 H ATOM 209 HG LEU A 14 3.350 -2.327 -3.156 1.00 0.79 H ATOM 210 HD11 LEU A 14 2.374 -2.570 -5.379 1.00 1.52 H ATOM 211 HD12 LEU A 14 0.865 -1.866 -4.800 1.00 1.53 H ATOM 212 HD13 LEU A 14 1.417 -3.415 -4.164 1.00 1.53 H ATOM 213 HD21 LEU A 14 3.813 -0.540 -4.623 1.00 1.40 H ATOM 214 HD22 LEU A 14 3.345 0.218 -3.097 1.00 1.45 H ATOM 215 HD23 LEU A 14 2.198 0.139 -4.431 1.00 1.47 H ATOM 216 N PRO A 15 -0.654 -0.585 -0.075 1.00 0.20 N ATOM 217 CA PRO A 15 -1.748 -0.860 0.839 1.00 0.23 C ATOM 218 C PRO A 15 -2.853 0.171 0.670 1.00 0.20 C ATOM 219 O PRO A 15 -4.020 -0.099 0.935 1.00 0.30 O ATOM 220 CB PRO A 15 -1.099 -0.756 2.216 1.00 0.32 C ATOM 221 CG PRO A 15 0.006 0.227 2.043 1.00 0.31 C ATOM 222 CD PRO A 15 0.436 0.158 0.595 1.00 0.24 C ATOM 223 HA PRO A 15 -2.146 -1.852 0.691 1.00 0.26 H ATOM 224 HB2 PRO A 15 -1.830 -0.410 2.933 1.00 0.36 H ATOM 225 HB3 PRO A 15 -0.722 -1.723 2.514 1.00 0.39 H ATOM 226 HG2 PRO A 15 -0.352 1.220 2.275 1.00 0.34 H ATOM 227 HG3 PRO A 15 0.832 -0.033 2.689 1.00 0.40 H ATOM 228 HD2 PRO A 15 0.516 1.159 0.186 1.00 0.25 H ATOM 229 HD3 PRO A 15 1.376 -0.366 0.504 1.00 0.32 H ATOM 230 N PHE A 16 -2.452 1.347 0.195 1.00 0.16 N ATOM 231 CA PHE A 16 -3.353 2.467 -0.018 1.00 0.22 C ATOM 232 C PHE A 16 -4.421 2.133 -1.053 1.00 0.22 C ATOM 233 O PHE A 16 -5.613 2.134 -0.757 1.00 0.32 O ATOM 234 CB PHE A 16 -2.535 3.660 -0.497 1.00 0.29 C ATOM 235 CG PHE A 16 -3.262 4.960 -0.467 1.00 0.43 C ATOM 236 CD1 PHE A 16 -3.810 5.468 -1.626 1.00 0.57 C ATOM 237 CD2 PHE A 16 -3.407 5.665 0.714 1.00 0.76 C ATOM 238 CE1 PHE A 16 -4.496 6.666 -1.614 1.00 0.80 C ATOM 239 CE2 PHE A 16 -4.090 6.865 0.736 1.00 1.01 C ATOM 240 CZ PHE A 16 -4.594 7.389 -0.388 1.00 0.98 C ATOM 241 H PHE A 16 -1.499 1.472 -0.011 1.00 0.17 H ATOM 242 HA PHE A 16 -3.825 2.712 0.919 1.00 0.30 H ATOM 243 HB2 PHE A 16 -1.661 3.759 0.127 1.00 0.45 H ATOM 244 HB3 PHE A 16 -2.220 3.481 -1.516 1.00 0.40 H ATOM 245 HD1 PHE A 16 -3.698 4.913 -2.547 1.00 0.71 H ATOM 246 HD2 PHE A 16 -2.980 5.268 1.625 1.00 0.91 H ATOM 247 HE1 PHE A 16 -4.920 7.055 -2.527 1.00 0.97 H ATOM 248 HE2 PHE A 16 -4.199 7.409 1.661 1.00 1.32 H ATOM 249 HZ PHE A 16 -5.110 8.335 -0.355 1.00 1.21 H ATOM 250 N LEU A 17 -3.979 1.835 -2.264 1.00 0.22 N ATOM 251 CA LEU A 17 -4.877 1.608 -3.379 1.00 0.33 C ATOM 252 C LEU A 17 -5.695 0.339 -3.201 1.00 0.33 C ATOM 253 O LEU A 17 -6.857 0.289 -3.598 1.00 0.44 O ATOM 254 CB LEU A 17 -4.077 1.574 -4.673 1.00 0.45 C ATOM 255 CG LEU A 17 -3.463 2.918 -5.058 1.00 1.03 C ATOM 256 CD1 LEU A 17 -2.640 2.794 -6.326 1.00 1.93 C ATOM 257 CD2 LEU A 17 -4.557 3.961 -5.226 1.00 1.50 C ATOM 258 H LEU A 17 -3.014 1.778 -2.420 1.00 0.22 H ATOM 259 HA LEU A 17 -5.558 2.444 -3.419 1.00 0.43 H ATOM 260 HB2 LEU A 17 -3.281 0.849 -4.566 1.00 0.63 H ATOM 261 HB3 LEU A 17 -4.726 1.257 -5.468 1.00 0.90 H ATOM 262 HG LEU A 17 -2.808 3.246 -4.265 1.00 1.42 H ATOM 263 HD11 LEU A 17 -1.849 2.076 -6.172 1.00 2.42 H ATOM 264 HD12 LEU A 17 -2.211 3.755 -6.569 1.00 2.41 H ATOM 265 HD13 LEU A 17 -3.273 2.465 -7.136 1.00 2.41 H ATOM 266 HD21 LEU A 17 -5.290 3.600 -5.932 1.00 1.95 H ATOM 267 HD22 LEU A 17 -4.126 4.877 -5.593 1.00 2.00 H ATOM 268 HD23 LEU A 17 -5.034 4.142 -4.274 1.00 1.99 H ATOM 269 N GLN A 18 -5.103 -0.677 -2.590 1.00 0.30 N ATOM 270 CA GLN A 18 -5.840 -1.888 -2.262 1.00 0.40 C ATOM 271 C GLN A 18 -6.879 -1.600 -1.183 1.00 0.46 C ATOM 272 O GLN A 18 -7.913 -2.261 -1.104 1.00 0.56 O ATOM 273 CB GLN A 18 -4.883 -2.986 -1.806 1.00 0.48 C ATOM 274 CG GLN A 18 -4.335 -3.840 -2.943 1.00 0.66 C ATOM 275 CD GLN A 18 -3.900 -3.032 -4.152 1.00 1.28 C ATOM 276 OE1 GLN A 18 -4.681 -2.800 -5.075 1.00 2.28 O ATOM 277 NE2 GLN A 18 -2.656 -2.593 -4.153 1.00 1.17 N ATOM 278 H GLN A 18 -4.148 -0.621 -2.370 1.00 0.27 H ATOM 279 HA GLN A 18 -6.351 -2.215 -3.156 1.00 0.47 H ATOM 280 HB2 GLN A 18 -4.048 -2.529 -1.296 1.00 0.54 H ATOM 281 HB3 GLN A 18 -5.401 -3.636 -1.117 1.00 0.64 H ATOM 282 HG2 GLN A 18 -3.483 -4.386 -2.577 1.00 1.02 H ATOM 283 HG3 GLN A 18 -5.102 -4.537 -3.251 1.00 1.38 H ATOM 284 HE21 GLN A 18 -2.088 -2.805 -3.383 1.00 0.85 H ATOM 285 HE22 GLN A 18 -2.350 -2.072 -4.927 1.00 1.83 H ATOM 286 N HIS A 19 -6.603 -0.590 -0.369 1.00 0.46 N ATOM 287 CA HIS A 19 -7.523 -0.180 0.681 1.00 0.61 C ATOM 288 C HIS A 19 -8.655 0.643 0.083 1.00 0.67 C ATOM 289 O HIS A 19 -9.773 0.630 0.585 1.00 0.82 O ATOM 290 CB HIS A 19 -6.796 0.645 1.743 1.00 0.71 C ATOM 291 CG HIS A 19 -7.479 0.665 3.073 1.00 0.90 C ATOM 292 ND1 HIS A 19 -8.691 1.278 3.303 1.00 1.24 N ATOM 293 CD2 HIS A 19 -7.106 0.123 4.253 1.00 1.01 C ATOM 294 CE1 HIS A 19 -9.034 1.109 4.565 1.00 1.42 C ATOM 295 NE2 HIS A 19 -8.088 0.412 5.163 1.00 1.29 N ATOM 296 H HIS A 19 -5.755 -0.108 -0.473 1.00 0.42 H ATOM 297 HA HIS A 19 -7.932 -1.069 1.136 1.00 0.67 H ATOM 298 HB2 HIS A 19 -5.806 0.239 1.887 1.00 0.75 H ATOM 299 HB3 HIS A 19 -6.711 1.666 1.398 1.00 0.79 H ATOM 300 HD1 HIS A 19 -9.225 1.769 2.635 1.00 1.42 H ATOM 301 HD2 HIS A 19 -6.198 -0.431 4.444 1.00 1.06 H ATOM 302 HE1 HIS A 19 -9.938 1.474 5.028 1.00 1.72 H ATOM 303 HE2 HIS A 19 -8.135 0.061 6.081 1.00 1.48 H ATOM 304 N LYS A 20 -8.360 1.350 -1.003 1.00 0.65 N ATOM 305 CA LYS A 20 -9.350 2.198 -1.649 1.00 0.81 C ATOM 306 C LYS A 20 -10.177 1.370 -2.610 1.00 0.82 C ATOM 307 O LYS A 20 -11.319 1.698 -2.921 1.00 0.98 O ATOM 308 CB LYS A 20 -8.684 3.355 -2.395 1.00 0.97 C ATOM 309 CG LYS A 20 -7.812 4.248 -1.520 1.00 0.98 C ATOM 310 CD LYS A 20 -8.539 4.741 -0.268 1.00 1.26 C ATOM 311 CE LYS A 20 -9.703 5.684 -0.575 1.00 1.81 C ATOM 312 NZ LYS A 20 -10.942 4.962 -0.988 1.00 2.38 N ATOM 313 H LYS A 20 -7.461 1.284 -1.387 1.00 0.60 H ATOM 314 HA LYS A 20 -9.995 2.597 -0.887 1.00 0.91 H ATOM 315 HB2 LYS A 20 -8.066 2.946 -3.174 1.00 1.52 H ATOM 316 HB3 LYS A 20 -9.449 3.967 -2.842 1.00 1.46 H ATOM 317 HG2 LYS A 20 -6.939 3.687 -1.217 1.00 1.41 H ATOM 318 HG3 LYS A 20 -7.500 5.104 -2.101 1.00 1.49 H ATOM 319 HD2 LYS A 20 -8.921 3.886 0.265 1.00 1.62 H ATOM 320 HD3 LYS A 20 -7.828 5.261 0.359 1.00 1.69 H ATOM 321 HE2 LYS A 20 -9.919 6.264 0.308 1.00 2.31 H ATOM 322 HE3 LYS A 20 -9.404 6.349 -1.373 1.00 2.26 H ATOM 323 HZ1 LYS A 20 -10.820 4.546 -1.886 1.00 2.71 H ATOM 324 HZ2 LYS A 20 -11.713 5.598 -1.032 1.00 2.79 H ATOM 325 HZ3 LYS A 20 -11.165 4.239 -0.323 1.00 2.74 H ATOM 326 N LEU A 21 -9.568 0.297 -3.079 1.00 0.74 N ATOM 327 CA LEU A 21 -10.237 -0.675 -3.922 1.00 0.86 C ATOM 328 C LEU A 21 -11.410 -1.305 -3.179 1.00 0.96 C ATOM 329 O LEU A 21 -12.501 -1.467 -3.729 1.00 1.14 O ATOM 330 CB LEU A 21 -9.233 -1.753 -4.328 1.00 0.84 C ATOM 331 CG LEU A 21 -9.723 -2.762 -5.368 1.00 1.10 C ATOM 332 CD1 LEU A 21 -10.073 -2.067 -6.676 1.00 1.65 C ATOM 333 CD2 LEU A 21 -8.669 -3.833 -5.598 1.00 1.80 C ATOM 334 H LEU A 21 -8.616 0.166 -2.872 1.00 0.66 H ATOM 335 HA LEU A 21 -10.599 -0.172 -4.803 1.00 0.99 H ATOM 336 HB2 LEU A 21 -8.350 -1.259 -4.710 1.00 0.79 H ATOM 337 HB3 LEU A 21 -8.954 -2.299 -3.439 1.00 0.80 H ATOM 338 HG LEU A 21 -10.615 -3.244 -4.999 1.00 1.61 H ATOM 339 HD11 LEU A 21 -9.202 -1.557 -7.057 1.00 2.13 H ATOM 340 HD12 LEU A 21 -10.864 -1.354 -6.506 1.00 2.12 H ATOM 341 HD13 LEU A 21 -10.402 -2.802 -7.397 1.00 2.18 H ATOM 342 HD21 LEU A 21 -7.748 -3.370 -5.920 1.00 2.31 H ATOM 343 HD22 LEU A 21 -9.013 -4.517 -6.359 1.00 2.31 H ATOM 344 HD23 LEU A 21 -8.499 -4.373 -4.679 1.00 2.27 H ATOM 345 N THR A 22 -11.173 -1.638 -1.919 1.00 0.92 N ATOM 346 CA THR A 22 -12.165 -2.310 -1.100 1.00 1.10 C ATOM 347 C THR A 22 -12.991 -1.322 -0.277 1.00 1.19 C ATOM 348 O THR A 22 -14.128 -1.615 0.099 1.00 1.44 O ATOM 349 CB THR A 22 -11.485 -3.322 -0.162 1.00 1.19 C ATOM 350 OG1 THR A 22 -10.329 -2.721 0.444 1.00 1.81 O ATOM 351 CG2 THR A 22 -11.073 -4.571 -0.924 1.00 1.51 C ATOM 352 H THR A 22 -10.300 -1.429 -1.528 1.00 0.84 H ATOM 353 HA THR A 22 -12.825 -2.853 -1.758 1.00 1.23 H ATOM 354 HB THR A 22 -12.185 -3.603 0.612 1.00 1.62 H ATOM 355 HG1 THR A 22 -9.529 -3.081 0.037 1.00 2.30 H ATOM 356 HG21 THR A 22 -10.590 -5.262 -0.251 1.00 1.97 H ATOM 357 HG22 THR A 22 -10.387 -4.300 -1.714 1.00 2.04 H ATOM 358 HG23 THR A 22 -11.947 -5.037 -1.352 1.00 1.95 H ATOM 359 N ASN A 23 -12.423 -0.155 0.000 1.00 1.13 N ATOM 360 CA ASN A 23 -13.095 0.844 0.817 1.00 1.33 C ATOM 361 C ASN A 23 -12.929 2.237 0.219 1.00 1.94 C ATOM 362 O ASN A 23 -13.891 2.729 -0.412 1.00 2.64 O ATOM 363 CB ASN A 23 -12.553 0.808 2.250 1.00 1.97 C ATOM 364 CG ASN A 23 -13.251 1.797 3.161 1.00 2.54 C ATOM 365 OD1 ASN A 23 -12.792 2.924 3.346 1.00 3.05 O ATOM 366 ND2 ASN A 23 -14.370 1.384 3.732 1.00 3.13 N ATOM 367 OXT ASN A 23 -11.839 2.829 0.361 1.00 2.58 O ATOM 368 H ASN A 23 -11.527 0.041 -0.347 1.00 1.07 H ATOM 369 HA ASN A 23 -14.147 0.600 0.836 1.00 1.77 H ATOM 370 HB2 ASN A 23 -12.689 -0.183 2.655 1.00 2.48 H ATOM 371 HB3 ASN A 23 -11.499 1.044 2.233 1.00 2.44 H ATOM 372 HD21 ASN A 23 -14.684 0.473 3.538 1.00 3.26 H ATOM 373 HD22 ASN A 23 -14.840 2.004 4.327 1.00 3.71 H TER 374 ASN A 23 ENDMDL MODEL 3 ATOM 1 N VAL A 1 5.923 -7.226 2.359 1.00 1.27 N ATOM 2 CA VAL A 1 5.711 -6.192 1.324 1.00 1.06 C ATOM 3 C VAL A 1 6.737 -5.069 1.483 1.00 0.70 C ATOM 4 O VAL A 1 6.454 -3.899 1.249 1.00 1.03 O ATOM 5 CB VAL A 1 4.266 -5.628 1.404 1.00 1.23 C ATOM 6 CG1 VAL A 1 3.926 -4.737 0.211 1.00 1.80 C ATOM 7 CG2 VAL A 1 3.259 -6.765 1.516 1.00 1.58 C ATOM 8 H1 VAL A 1 6.838 -7.617 2.273 1.00 1.67 H ATOM 9 H2 VAL A 1 5.254 -7.959 2.255 1.00 1.64 H ATOM 10 H3 VAL A 1 5.822 -6.827 3.271 1.00 1.65 H ATOM 11 HA VAL A 1 5.854 -6.651 0.361 1.00 1.35 H ATOM 12 HB VAL A 1 4.194 -5.029 2.300 1.00 1.79 H ATOM 13 HG11 VAL A 1 4.606 -3.898 0.183 1.00 2.29 H ATOM 14 HG12 VAL A 1 2.911 -4.372 0.310 1.00 2.21 H ATOM 15 HG13 VAL A 1 4.017 -5.306 -0.702 1.00 2.30 H ATOM 16 HG21 VAL A 1 3.353 -7.413 0.658 1.00 2.05 H ATOM 17 HG22 VAL A 1 2.260 -6.359 1.553 1.00 2.00 H ATOM 18 HG23 VAL A 1 3.452 -7.329 2.417 1.00 2.09 H ATOM 19 N LEU A 2 7.949 -5.432 1.880 1.00 0.51 N ATOM 20 CA LEU A 2 8.995 -4.442 2.079 1.00 0.77 C ATOM 21 C LEU A 2 10.398 -5.023 1.921 1.00 0.48 C ATOM 22 O LEU A 2 11.030 -5.468 2.880 1.00 0.60 O ATOM 23 CB LEU A 2 8.858 -3.751 3.429 1.00 1.37 C ATOM 24 CG LEU A 2 8.824 -4.650 4.675 1.00 2.23 C ATOM 25 CD1 LEU A 2 9.245 -3.861 5.903 1.00 3.06 C ATOM 26 CD2 LEU A 2 7.439 -5.232 4.896 1.00 2.69 C ATOM 27 H LEU A 2 8.143 -6.375 2.026 1.00 0.74 H ATOM 28 HA LEU A 2 8.862 -3.695 1.310 1.00 1.13 H ATOM 29 HB2 LEU A 2 9.686 -3.077 3.528 1.00 1.34 H ATOM 30 HB3 LEU A 2 7.953 -3.173 3.399 1.00 1.54 H ATOM 31 HG LEU A 2 9.520 -5.467 4.545 1.00 2.48 H ATOM 32 HD11 LEU A 2 9.193 -4.495 6.776 1.00 3.41 H ATOM 33 HD12 LEU A 2 8.583 -3.017 6.032 1.00 3.47 H ATOM 34 HD13 LEU A 2 10.257 -3.507 5.776 1.00 3.48 H ATOM 35 HD21 LEU A 2 7.148 -5.805 4.028 1.00 3.03 H ATOM 36 HD22 LEU A 2 6.732 -4.431 5.052 1.00 3.01 H ATOM 37 HD23 LEU A 2 7.453 -5.876 5.764 1.00 3.05 H ATOM 38 N PRO A 3 10.882 -5.027 0.684 1.00 0.32 N ATOM 39 CA PRO A 3 12.250 -5.410 0.360 1.00 0.25 C ATOM 40 C PRO A 3 13.247 -4.267 0.596 1.00 0.28 C ATOM 41 O PRO A 3 14.250 -4.445 1.284 1.00 0.49 O ATOM 42 CB PRO A 3 12.172 -5.769 -1.123 1.00 0.45 C ATOM 43 CG PRO A 3 10.991 -5.024 -1.663 1.00 0.63 C ATOM 44 CD PRO A 3 10.101 -4.667 -0.496 1.00 0.54 C ATOM 45 HA PRO A 3 12.560 -6.275 0.926 1.00 0.36 H ATOM 46 HB2 PRO A 3 13.085 -5.464 -1.613 1.00 0.67 H ATOM 47 HB3 PRO A 3 12.044 -6.835 -1.229 1.00 0.55 H ATOM 48 HG2 PRO A 3 11.325 -4.129 -2.158 1.00 0.89 H ATOM 49 HG3 PRO A 3 10.454 -5.653 -2.359 1.00 0.97 H ATOM 50 HD2 PRO A 3 9.877 -3.609 -0.480 1.00 0.65 H ATOM 51 HD3 PRO A 3 9.186 -5.237 -0.531 1.00 0.82 H ATOM 52 N ALA A 4 12.954 -3.091 0.035 1.00 0.18 N ATOM 53 CA ALA A 4 13.808 -1.917 0.210 1.00 0.22 C ATOM 54 C ALA A 4 13.087 -0.639 -0.218 1.00 0.19 C ATOM 55 O ALA A 4 12.583 0.116 0.618 1.00 0.21 O ATOM 56 CB ALA A 4 15.105 -2.075 -0.568 1.00 0.30 C ATOM 57 H ALA A 4 12.153 -3.018 -0.519 1.00 0.21 H ATOM 58 HA ALA A 4 14.052 -1.842 1.259 1.00 0.27 H ATOM 59 HB1 ALA A 4 15.760 -1.244 -0.350 1.00 1.08 H ATOM 60 HB2 ALA A 4 14.889 -2.095 -1.623 1.00 1.06 H ATOM 61 HB3 ALA A 4 15.585 -2.998 -0.282 1.00 1.07 H ATOM 62 N LEU A 5 13.018 -0.398 -1.521 1.00 0.23 N ATOM 63 CA LEU A 5 12.328 0.782 -2.024 1.00 0.27 C ATOM 64 C LEU A 5 10.816 0.662 -1.796 1.00 0.24 C ATOM 65 O LEU A 5 10.200 1.595 -1.286 1.00 0.26 O ATOM 66 CB LEU A 5 12.653 1.045 -3.501 1.00 0.41 C ATOM 67 CG LEU A 5 11.980 2.281 -4.105 1.00 1.24 C ATOM 68 CD1 LEU A 5 12.439 3.546 -3.394 1.00 1.89 C ATOM 69 CD2 LEU A 5 12.269 2.371 -5.595 1.00 2.00 C ATOM 70 H LEU A 5 13.435 -1.023 -2.154 1.00 0.28 H ATOM 71 HA LEU A 5 12.683 1.621 -1.443 1.00 0.29 H ATOM 72 HB2 LEU A 5 13.724 1.164 -3.594 1.00 0.90 H ATOM 73 HB3 LEU A 5 12.358 0.185 -4.077 1.00 0.93 H ATOM 74 HG LEU A 5 10.910 2.196 -3.976 1.00 1.99 H ATOM 75 HD11 LEU A 5 12.155 3.498 -2.353 1.00 2.35 H ATOM 76 HD12 LEU A 5 11.975 4.406 -3.853 1.00 2.40 H ATOM 77 HD13 LEU A 5 13.512 3.633 -3.470 1.00 2.34 H ATOM 78 HD21 LEU A 5 13.336 2.424 -5.752 1.00 2.46 H ATOM 79 HD22 LEU A 5 11.801 3.256 -5.999 1.00 2.45 H ATOM 80 HD23 LEU A 5 11.874 1.497 -6.091 1.00 2.53 H ATOM 81 N PRO A 6 10.186 -0.488 -2.141 1.00 0.27 N ATOM 82 CA PRO A 6 8.778 -0.736 -1.805 1.00 0.31 C ATOM 83 C PRO A 6 8.530 -0.766 -0.294 1.00 0.27 C ATOM 84 O PRO A 6 7.389 -0.811 0.148 1.00 0.36 O ATOM 85 CB PRO A 6 8.472 -2.103 -2.424 1.00 0.39 C ATOM 86 CG PRO A 6 9.535 -2.311 -3.444 1.00 0.40 C ATOM 87 CD PRO A 6 10.750 -1.603 -2.921 1.00 0.32 C ATOM 88 HA PRO A 6 8.137 0.011 -2.252 1.00 0.37 H ATOM 89 HB2 PRO A 6 8.502 -2.862 -1.659 1.00 0.39 H ATOM 90 HB3 PRO A 6 7.492 -2.083 -2.878 1.00 0.49 H ATOM 91 HG2 PRO A 6 9.734 -3.366 -3.558 1.00 0.42 H ATOM 92 HG3 PRO A 6 9.228 -1.882 -4.387 1.00 0.48 H ATOM 93 HD2 PRO A 6 11.330 -2.256 -2.288 1.00 0.30 H ATOM 94 HD3 PRO A 6 11.349 -1.239 -3.736 1.00 0.40 H ATOM 95 N LEU A 7 9.598 -0.747 0.499 1.00 0.19 N ATOM 96 CA LEU A 7 9.452 -0.652 1.944 1.00 0.23 C ATOM 97 C LEU A 7 8.849 0.698 2.296 1.00 0.24 C ATOM 98 O LEU A 7 7.859 0.774 3.009 1.00 0.35 O ATOM 99 CB LEU A 7 10.805 -0.852 2.648 1.00 0.27 C ATOM 100 CG LEU A 7 10.790 -0.809 4.185 1.00 0.45 C ATOM 101 CD1 LEU A 7 11.952 -1.618 4.734 1.00 0.69 C ATOM 102 CD2 LEU A 7 10.888 0.621 4.698 1.00 0.68 C ATOM 103 H LEU A 7 10.492 -0.781 0.102 1.00 0.15 H ATOM 104 HA LEU A 7 8.771 -1.428 2.258 1.00 0.31 H ATOM 105 HB2 LEU A 7 11.200 -1.811 2.346 1.00 0.25 H ATOM 106 HB3 LEU A 7 11.478 -0.084 2.300 1.00 0.27 H ATOM 107 HG LEU A 7 9.870 -1.241 4.550 1.00 0.66 H ATOM 108 HD11 LEU A 7 11.937 -1.581 5.811 1.00 1.29 H ATOM 109 HD12 LEU A 7 12.880 -1.205 4.370 1.00 1.26 H ATOM 110 HD13 LEU A 7 11.861 -2.642 4.407 1.00 1.30 H ATOM 111 HD21 LEU A 7 11.836 1.045 4.405 1.00 1.29 H ATOM 112 HD22 LEU A 7 10.811 0.623 5.775 1.00 1.26 H ATOM 113 HD23 LEU A 7 10.085 1.210 4.279 1.00 1.28 H ATOM 114 N LEU A 8 9.439 1.764 1.782 1.00 0.18 N ATOM 115 CA LEU A 8 8.900 3.097 2.019 1.00 0.20 C ATOM 116 C LEU A 8 7.919 3.477 0.922 1.00 0.18 C ATOM 117 O LEU A 8 6.735 3.705 1.183 1.00 0.16 O ATOM 118 CB LEU A 8 10.024 4.131 2.114 1.00 0.33 C ATOM 119 CG LEU A 8 9.559 5.584 2.213 1.00 0.36 C ATOM 120 CD1 LEU A 8 8.679 5.793 3.435 1.00 0.61 C ATOM 121 CD2 LEU A 8 10.751 6.527 2.243 1.00 0.66 C ATOM 122 H LEU A 8 10.247 1.654 1.225 1.00 0.19 H ATOM 123 HA LEU A 8 8.361 3.076 2.957 1.00 0.21 H ATOM 124 HB2 LEU A 8 10.620 3.904 2.986 1.00 0.39 H ATOM 125 HB3 LEU A 8 10.646 4.035 1.237 1.00 0.37 H ATOM 126 HG LEU A 8 8.968 5.817 1.343 1.00 0.53 H ATOM 127 HD11 LEU A 8 7.740 5.278 3.292 1.00 1.23 H ATOM 128 HD12 LEU A 8 8.493 6.849 3.569 1.00 1.28 H ATOM 129 HD13 LEU A 8 9.177 5.401 4.309 1.00 1.21 H ATOM 130 HD21 LEU A 8 10.403 7.547 2.312 1.00 1.30 H ATOM 131 HD22 LEU A 8 11.329 6.404 1.339 1.00 1.24 H ATOM 132 HD23 LEU A 8 11.368 6.299 3.099 1.00 1.28 H ATOM 133 N ALA A 9 8.415 3.510 -0.306 1.00 0.28 N ATOM 134 CA ALA A 9 7.617 3.915 -1.449 1.00 0.38 C ATOM 135 C ALA A 9 6.414 2.998 -1.624 1.00 0.38 C ATOM 136 O ALA A 9 5.307 3.448 -1.925 1.00 0.44 O ATOM 137 CB ALA A 9 8.474 3.909 -2.701 1.00 0.51 C ATOM 138 H ALA A 9 9.352 3.247 -0.449 1.00 0.32 H ATOM 139 HA ALA A 9 7.274 4.922 -1.277 1.00 0.40 H ATOM 140 HB1 ALA A 9 9.304 4.587 -2.571 1.00 1.20 H ATOM 141 HB2 ALA A 9 7.881 4.219 -3.547 1.00 1.12 H ATOM 142 HB3 ALA A 9 8.850 2.910 -2.868 1.00 1.13 H ATOM 143 N GLY A 10 6.642 1.713 -1.413 1.00 0.35 N ATOM 144 CA GLY A 10 5.594 0.732 -1.594 1.00 0.45 C ATOM 145 C GLY A 10 4.571 0.763 -0.481 1.00 0.41 C ATOM 146 O GLY A 10 3.370 0.715 -0.741 1.00 0.52 O ATOM 147 H GLY A 10 7.532 1.426 -1.126 1.00 0.31 H ATOM 148 HA2 GLY A 10 5.097 0.928 -2.531 1.00 0.55 H ATOM 149 HA3 GLY A 10 6.039 -0.251 -1.634 1.00 0.48 H ATOM 150 N LEU A 11 5.039 0.876 0.761 1.00 0.29 N ATOM 151 CA LEU A 11 4.151 0.894 1.923 1.00 0.31 C ATOM 152 C LEU A 11 3.201 2.085 1.893 1.00 0.23 C ATOM 153 O LEU A 11 2.289 2.184 2.710 1.00 0.22 O ATOM 154 CB LEU A 11 4.968 0.906 3.211 1.00 0.35 C ATOM 155 CG LEU A 11 5.071 -0.443 3.925 1.00 0.53 C ATOM 156 CD1 LEU A 11 3.720 -0.877 4.466 1.00 0.65 C ATOM 157 CD2 LEU A 11 5.624 -1.493 2.981 1.00 0.57 C ATOM 158 H LEU A 11 6.012 0.936 0.907 1.00 0.23 H ATOM 159 HA LEU A 11 3.565 -0.012 1.896 1.00 0.43 H ATOM 160 HB2 LEU A 11 5.969 1.232 2.967 1.00 0.28 H ATOM 161 HB3 LEU A 11 4.536 1.621 3.889 1.00 0.37 H ATOM 162 HG LEU A 11 5.749 -0.352 4.757 1.00 0.59 H ATOM 163 HD11 LEU A 11 3.826 -1.827 4.970 1.00 1.25 H ATOM 164 HD12 LEU A 11 3.019 -0.978 3.651 1.00 1.20 H ATOM 165 HD13 LEU A 11 3.357 -0.137 5.163 1.00 1.22 H ATOM 166 HD21 LEU A 11 4.988 -1.563 2.110 1.00 1.16 H ATOM 167 HD22 LEU A 11 5.656 -2.449 3.482 1.00 1.17 H ATOM 168 HD23 LEU A 11 6.620 -1.211 2.675 1.00 1.19 H ATOM 169 N MET A 12 3.424 2.988 0.958 1.00 0.21 N ATOM 170 CA MET A 12 2.518 4.107 0.759 1.00 0.18 C ATOM 171 C MET A 12 1.371 3.720 -0.172 1.00 0.17 C ATOM 172 O MET A 12 0.212 3.647 0.240 1.00 0.17 O ATOM 173 CB MET A 12 3.257 5.288 0.133 1.00 0.21 C ATOM 174 CG MET A 12 4.400 5.842 0.971 1.00 0.24 C ATOM 175 SD MET A 12 5.020 7.411 0.329 1.00 1.46 S ATOM 176 CE MET A 12 5.220 7.019 -1.409 1.00 2.10 C ATOM 177 H MET A 12 4.224 2.902 0.396 1.00 0.22 H ATOM 178 HA MET A 12 2.120 4.401 1.717 1.00 0.19 H ATOM 179 HB2 MET A 12 3.662 4.961 -0.820 1.00 0.23 H ATOM 180 HB3 MET A 12 2.549 6.084 -0.044 1.00 0.22 H ATOM 181 HG2 MET A 12 4.049 5.995 1.980 1.00 0.82 H ATOM 182 HG3 MET A 12 5.211 5.125 0.978 1.00 0.85 H ATOM 183 HE1 MET A 12 5.878 6.171 -1.515 1.00 2.56 H ATOM 184 HE2 MET A 12 5.643 7.868 -1.923 1.00 2.58 H ATOM 185 HE3 MET A 12 4.257 6.783 -1.839 1.00 2.52 H ATOM 186 N SER A 13 1.721 3.404 -1.412 1.00 0.19 N ATOM 187 CA SER A 13 0.733 3.255 -2.475 1.00 0.22 C ATOM 188 C SER A 13 0.095 1.870 -2.476 1.00 0.19 C ATOM 189 O SER A 13 -1.093 1.730 -2.768 1.00 0.22 O ATOM 190 CB SER A 13 1.396 3.517 -3.826 1.00 0.32 C ATOM 191 OG SER A 13 2.201 4.685 -3.778 1.00 1.27 O ATOM 192 H SER A 13 2.671 3.282 -1.624 1.00 0.22 H ATOM 193 HA SER A 13 -0.038 3.993 -2.316 1.00 0.24 H ATOM 194 HB2 SER A 13 2.019 2.675 -4.088 1.00 1.07 H ATOM 195 HB3 SER A 13 0.634 3.649 -4.580 1.00 1.01 H ATOM 196 HG SER A 13 1.659 5.432 -3.488 1.00 1.76 H ATOM 197 N LEU A 14 0.883 0.859 -2.139 1.00 0.21 N ATOM 198 CA LEU A 14 0.438 -0.525 -2.240 1.00 0.24 C ATOM 199 C LEU A 14 -0.774 -0.793 -1.350 1.00 0.21 C ATOM 200 O LEU A 14 -1.828 -1.168 -1.860 1.00 0.27 O ATOM 201 CB LEU A 14 1.585 -1.494 -1.925 1.00 0.30 C ATOM 202 CG LEU A 14 2.558 -1.769 -3.079 1.00 0.37 C ATOM 203 CD1 LEU A 14 1.878 -2.593 -4.161 1.00 0.95 C ATOM 204 CD2 LEU A 14 3.090 -0.469 -3.669 1.00 0.83 C ATOM 205 H LEU A 14 1.785 1.043 -1.801 1.00 0.24 H ATOM 206 HA LEU A 14 0.134 -0.682 -3.265 1.00 0.27 H ATOM 207 HB2 LEU A 14 2.150 -1.089 -1.099 1.00 0.29 H ATOM 208 HB3 LEU A 14 1.155 -2.432 -1.616 1.00 0.34 H ATOM 209 HG LEU A 14 3.398 -2.338 -2.706 1.00 0.79 H ATOM 210 HD11 LEU A 14 1.040 -2.042 -4.561 1.00 1.52 H ATOM 211 HD12 LEU A 14 1.527 -3.523 -3.738 1.00 1.53 H ATOM 212 HD13 LEU A 14 2.582 -2.801 -4.952 1.00 1.53 H ATOM 213 HD21 LEU A 14 2.312 0.007 -4.248 1.00 1.40 H ATOM 214 HD22 LEU A 14 3.939 -0.677 -4.301 1.00 1.45 H ATOM 215 HD23 LEU A 14 3.390 0.195 -2.865 1.00 1.47 H ATOM 216 N PRO A 15 -0.686 -0.576 -0.021 1.00 0.20 N ATOM 217 CA PRO A 15 -1.821 -0.832 0.853 1.00 0.23 C ATOM 218 C PRO A 15 -2.927 0.189 0.624 1.00 0.20 C ATOM 219 O PRO A 15 -4.094 -0.084 0.877 1.00 0.30 O ATOM 220 CB PRO A 15 -1.246 -0.704 2.262 1.00 0.32 C ATOM 221 CG PRO A 15 -0.057 0.179 2.113 1.00 0.31 C ATOM 222 CD PRO A 15 0.478 -0.052 0.724 1.00 0.24 C ATOM 223 HA PRO A 15 -2.211 -1.830 0.705 1.00 0.26 H ATOM 224 HB2 PRO A 15 -1.988 -0.268 2.917 1.00 0.36 H ATOM 225 HB3 PRO A 15 -0.966 -1.680 2.627 1.00 0.39 H ATOM 226 HG2 PRO A 15 -0.352 1.211 2.230 1.00 0.34 H ATOM 227 HG3 PRO A 15 0.688 -0.083 2.850 1.00 0.40 H ATOM 228 HD2 PRO A 15 0.818 0.881 0.297 1.00 0.25 H ATOM 229 HD3 PRO A 15 1.280 -0.775 0.745 1.00 0.32 H ATOM 230 N PHE A 16 -2.540 1.361 0.120 1.00 0.16 N ATOM 231 CA PHE A 16 -3.480 2.442 -0.142 1.00 0.22 C ATOM 232 C PHE A 16 -4.514 2.022 -1.184 1.00 0.22 C ATOM 233 O PHE A 16 -5.709 1.975 -0.900 1.00 0.32 O ATOM 234 CB PHE A 16 -2.724 3.676 -0.637 1.00 0.29 C ATOM 235 CG PHE A 16 -3.293 4.974 -0.152 1.00 0.43 C ATOM 236 CD1 PHE A 16 -4.369 5.565 -0.794 1.00 0.57 C ATOM 237 CD2 PHE A 16 -2.743 5.606 0.949 1.00 0.76 C ATOM 238 CE1 PHE A 16 -4.885 6.764 -0.343 1.00 0.80 C ATOM 239 CE2 PHE A 16 -3.256 6.803 1.404 1.00 1.01 C ATOM 240 CZ PHE A 16 -4.328 7.384 0.758 1.00 0.98 C ATOM 241 H PHE A 16 -1.588 1.503 -0.077 1.00 0.17 H ATOM 242 HA PHE A 16 -3.984 2.681 0.781 1.00 0.30 H ATOM 243 HB2 PHE A 16 -1.700 3.618 -0.300 1.00 0.45 H ATOM 244 HB3 PHE A 16 -2.740 3.688 -1.717 1.00 0.40 H ATOM 245 HD1 PHE A 16 -4.805 5.080 -1.654 1.00 0.71 H ATOM 246 HD2 PHE A 16 -1.903 5.152 1.454 1.00 0.91 H ATOM 247 HE1 PHE A 16 -5.724 7.216 -0.850 1.00 0.97 H ATOM 248 HE2 PHE A 16 -2.818 7.285 2.265 1.00 1.32 H ATOM 249 HZ PHE A 16 -4.731 8.322 1.113 1.00 1.21 H ATOM 250 N LEU A 17 -4.045 1.694 -2.381 1.00 0.22 N ATOM 251 CA LEU A 17 -4.928 1.345 -3.488 1.00 0.33 C ATOM 252 C LEU A 17 -5.685 0.051 -3.214 1.00 0.33 C ATOM 253 O LEU A 17 -6.832 -0.109 -3.626 1.00 0.44 O ATOM 254 CB LEU A 17 -4.131 1.222 -4.788 1.00 0.45 C ATOM 255 CG LEU A 17 -3.921 2.528 -5.567 1.00 1.03 C ATOM 256 CD1 LEU A 17 -5.259 3.128 -5.976 1.00 1.93 C ATOM 257 CD2 LEU A 17 -3.113 3.531 -4.755 1.00 1.50 C ATOM 258 H LEU A 17 -3.074 1.685 -2.529 1.00 0.22 H ATOM 259 HA LEU A 17 -5.645 2.144 -3.595 1.00 0.43 H ATOM 260 HB2 LEU A 17 -3.158 0.815 -4.549 1.00 0.63 H ATOM 261 HB3 LEU A 17 -4.642 0.525 -5.430 1.00 0.90 H ATOM 262 HG LEU A 17 -3.369 2.311 -6.471 1.00 1.42 H ATOM 263 HD11 LEU A 17 -5.090 4.013 -6.571 1.00 2.42 H ATOM 264 HD12 LEU A 17 -5.823 3.392 -5.093 1.00 2.41 H ATOM 265 HD13 LEU A 17 -5.816 2.406 -6.554 1.00 2.41 H ATOM 266 HD21 LEU A 17 -2.145 3.109 -4.521 1.00 1.95 H ATOM 267 HD22 LEU A 17 -3.636 3.756 -3.837 1.00 2.00 H ATOM 268 HD23 LEU A 17 -2.982 4.437 -5.326 1.00 1.99 H ATOM 269 N GLN A 18 -5.041 -0.868 -2.512 1.00 0.30 N ATOM 270 CA GLN A 18 -5.673 -2.127 -2.140 1.00 0.40 C ATOM 271 C GLN A 18 -6.743 -1.890 -1.083 1.00 0.46 C ATOM 272 O GLN A 18 -7.743 -2.604 -1.020 1.00 0.56 O ATOM 273 CB GLN A 18 -4.619 -3.110 -1.634 1.00 0.48 C ATOM 274 CG GLN A 18 -3.631 -3.530 -2.711 1.00 0.66 C ATOM 275 CD GLN A 18 -2.403 -4.218 -2.152 1.00 1.28 C ATOM 276 OE1 GLN A 18 -2.460 -4.876 -1.113 1.00 2.28 O ATOM 277 NE2 GLN A 18 -1.282 -4.064 -2.836 1.00 1.17 N ATOM 278 H GLN A 18 -4.112 -0.700 -2.240 1.00 0.27 H ATOM 279 HA GLN A 18 -6.144 -2.536 -3.021 1.00 0.47 H ATOM 280 HB2 GLN A 18 -4.068 -2.649 -0.829 1.00 0.54 H ATOM 281 HB3 GLN A 18 -5.114 -3.995 -1.264 1.00 0.64 H ATOM 282 HG2 GLN A 18 -4.125 -4.210 -3.389 1.00 1.02 H ATOM 283 HG3 GLN A 18 -3.316 -2.651 -3.254 1.00 1.38 H ATOM 284 HE21 GLN A 18 -1.313 -3.521 -3.655 1.00 0.85 H ATOM 285 HE22 GLN A 18 -0.467 -4.495 -2.500 1.00 1.83 H ATOM 286 N HIS A 19 -6.539 -0.863 -0.271 1.00 0.46 N ATOM 287 CA HIS A 19 -7.506 -0.497 0.750 1.00 0.61 C ATOM 288 C HIS A 19 -8.682 0.235 0.115 1.00 0.67 C ATOM 289 O HIS A 19 -9.796 0.199 0.626 1.00 0.82 O ATOM 290 CB HIS A 19 -6.854 0.392 1.809 1.00 0.71 C ATOM 291 CG HIS A 19 -7.567 0.390 3.120 1.00 0.90 C ATOM 292 ND1 HIS A 19 -8.762 1.038 3.338 1.00 1.24 N ATOM 293 CD2 HIS A 19 -7.241 -0.198 4.291 1.00 1.01 C ATOM 294 CE1 HIS A 19 -9.141 0.847 4.585 1.00 1.42 C ATOM 295 NE2 HIS A 19 -8.237 0.101 5.186 1.00 1.29 N ATOM 296 H HIS A 19 -5.707 -0.346 -0.348 1.00 0.42 H ATOM 297 HA HIS A 19 -7.864 -1.403 1.216 1.00 0.67 H ATOM 298 HB2 HIS A 19 -5.845 0.050 1.982 1.00 0.75 H ATOM 299 HB3 HIS A 19 -6.825 1.409 1.449 1.00 0.79 H ATOM 300 HD1 HIS A 19 -9.259 1.566 2.675 1.00 1.42 H ATOM 301 HD2 HIS A 19 -6.350 -0.777 4.488 1.00 1.06 H ATOM 302 HE1 HIS A 19 -10.040 1.237 5.039 1.00 1.72 H ATOM 303 HE2 HIS A 19 -8.204 -0.076 6.153 1.00 1.48 H ATOM 304 N LYS A 20 -8.428 0.883 -1.017 1.00 0.65 N ATOM 305 CA LYS A 20 -9.466 1.624 -1.716 1.00 0.81 C ATOM 306 C LYS A 20 -10.238 0.683 -2.618 1.00 0.82 C ATOM 307 O LYS A 20 -11.368 0.956 -3.020 1.00 0.98 O ATOM 308 CB LYS A 20 -8.868 2.764 -2.541 1.00 0.97 C ATOM 309 CG LYS A 20 -8.040 3.753 -1.732 1.00 0.98 C ATOM 310 CD LYS A 20 -8.774 4.272 -0.497 1.00 1.26 C ATOM 311 CE LYS A 20 -9.944 5.193 -0.838 1.00 1.81 C ATOM 312 NZ LYS A 20 -11.148 4.458 -1.316 1.00 2.38 N ATOM 313 H LYS A 20 -7.524 0.849 -1.397 1.00 0.60 H ATOM 314 HA LYS A 20 -10.138 2.034 -0.983 1.00 0.91 H ATOM 315 HB2 LYS A 20 -8.235 2.338 -3.300 1.00 1.52 H ATOM 316 HB3 LYS A 20 -9.669 3.305 -3.020 1.00 1.46 H ATOM 317 HG2 LYS A 20 -7.130 3.265 -1.414 1.00 1.41 H ATOM 318 HG3 LYS A 20 -7.790 4.593 -2.366 1.00 1.49 H ATOM 319 HD2 LYS A 20 -9.151 3.429 0.059 1.00 1.62 H ATOM 320 HD3 LYS A 20 -8.071 4.817 0.116 1.00 1.69 H ATOM 321 HE2 LYS A 20 -10.209 5.751 0.045 1.00 2.31 H ATOM 322 HE3 LYS A 20 -9.625 5.879 -1.610 1.00 2.26 H ATOM 323 HZ1 LYS A 20 -11.913 5.093 -1.424 1.00 2.71 H ATOM 324 HZ2 LYS A 20 -11.411 3.746 -0.657 1.00 2.79 H ATOM 325 HZ3 LYS A 20 -10.962 4.027 -2.197 1.00 2.74 H ATOM 326 N LEU A 21 -9.601 -0.431 -2.930 1.00 0.74 N ATOM 327 CA LEU A 21 -10.218 -1.475 -3.719 1.00 0.86 C ATOM 328 C LEU A 21 -11.349 -2.126 -2.934 1.00 0.96 C ATOM 329 O LEU A 21 -12.400 -2.448 -3.484 1.00 1.14 O ATOM 330 CB LEU A 21 -9.166 -2.517 -4.086 1.00 0.84 C ATOM 331 CG LEU A 21 -9.618 -3.579 -5.088 1.00 1.10 C ATOM 332 CD1 LEU A 21 -9.920 -2.951 -6.441 1.00 1.65 C ATOM 333 CD2 LEU A 21 -8.561 -4.661 -5.221 1.00 1.80 C ATOM 334 H LEU A 21 -8.672 -0.543 -2.634 1.00 0.66 H ATOM 335 HA LEU A 21 -10.614 -1.034 -4.619 1.00 0.99 H ATOM 336 HB2 LEU A 21 -8.308 -1.998 -4.489 1.00 0.79 H ATOM 337 HB3 LEU A 21 -8.864 -3.019 -3.179 1.00 0.80 H ATOM 338 HG LEU A 21 -10.526 -4.040 -4.728 1.00 1.61 H ATOM 339 HD11 LEU A 21 -10.741 -2.257 -6.340 1.00 2.13 H ATOM 340 HD12 LEU A 21 -10.187 -3.725 -7.146 1.00 2.12 H ATOM 341 HD13 LEU A 21 -9.047 -2.426 -6.797 1.00 2.18 H ATOM 342 HD21 LEU A 21 -8.900 -5.412 -5.916 1.00 2.31 H ATOM 343 HD22 LEU A 21 -8.387 -5.114 -4.256 1.00 2.31 H ATOM 344 HD23 LEU A 21 -7.643 -4.224 -5.584 1.00 2.27 H ATOM 345 N THR A 22 -11.123 -2.313 -1.642 1.00 0.92 N ATOM 346 CA THR A 22 -12.121 -2.914 -0.776 1.00 1.10 C ATOM 347 C THR A 22 -13.018 -1.849 -0.145 1.00 1.19 C ATOM 348 O THR A 22 -14.131 -2.146 0.285 1.00 1.44 O ATOM 349 CB THR A 22 -11.464 -3.780 0.326 1.00 1.19 C ATOM 350 OG1 THR A 22 -12.461 -4.304 1.218 1.00 1.81 O ATOM 351 CG2 THR A 22 -10.437 -2.983 1.117 1.00 1.51 C ATOM 352 H THR A 22 -10.258 -2.050 -1.264 1.00 0.84 H ATOM 353 HA THR A 22 -12.736 -3.560 -1.387 1.00 1.23 H ATOM 354 HB THR A 22 -10.958 -4.607 -0.149 1.00 1.62 H ATOM 355 HG1 THR A 22 -13.337 -4.016 0.922 1.00 2.30 H ATOM 356 HG21 THR A 22 -9.649 -2.655 0.454 1.00 1.97 H ATOM 357 HG22 THR A 22 -10.019 -3.605 1.893 1.00 2.04 H ATOM 358 HG23 THR A 22 -10.915 -2.122 1.562 1.00 1.95 H ATOM 359 N ASN A 23 -12.544 -0.610 -0.097 1.00 1.13 N ATOM 360 CA ASN A 23 -13.324 0.473 0.483 1.00 1.33 C ATOM 361 C ASN A 23 -13.007 1.793 -0.205 1.00 1.94 C ATOM 362 O ASN A 23 -11.979 2.412 0.136 1.00 2.64 O ATOM 363 CB ASN A 23 -13.059 0.590 1.984 1.00 1.97 C ATOM 364 CG ASN A 23 -14.057 1.501 2.668 1.00 2.54 C ATOM 365 OD1 ASN A 23 -13.858 2.711 2.761 1.00 3.05 O ATOM 366 ND2 ASN A 23 -15.143 0.922 3.149 1.00 3.13 N ATOM 367 OXT ASN A 23 -13.785 2.202 -1.091 1.00 2.58 O ATOM 368 H ASN A 23 -11.653 -0.417 -0.461 1.00 1.07 H ATOM 369 HA ASN A 23 -14.368 0.244 0.330 1.00 1.77 H ATOM 370 HB2 ASN A 23 -13.124 -0.390 2.435 1.00 2.48 H ATOM 371 HB3 ASN A 23 -12.067 0.989 2.139 1.00 2.44 H ATOM 372 HD21 ASN A 23 -15.238 -0.050 3.037 1.00 3.26 H ATOM 373 HD22 ASN A 23 -15.813 1.484 3.596 1.00 3.71 H TER 374 ASN A 23 ENDMDL MODEL 4 ATOM 1 N VAL A 1 5.909 -7.258 2.016 1.00 1.27 N ATOM 2 CA VAL A 1 5.855 -6.479 0.762 1.00 1.06 C ATOM 3 C VAL A 1 6.796 -5.285 0.839 1.00 0.70 C ATOM 4 O VAL A 1 6.673 -4.302 0.105 1.00 1.03 O ATOM 5 CB VAL A 1 4.408 -6.026 0.473 1.00 1.23 C ATOM 6 CG1 VAL A 1 3.982 -4.873 1.374 1.00 1.80 C ATOM 7 CG2 VAL A 1 4.214 -5.678 -0.998 1.00 1.58 C ATOM 8 H1 VAL A 1 5.275 -8.030 1.967 1.00 1.67 H ATOM 9 H2 VAL A 1 5.655 -6.688 2.794 1.00 1.64 H ATOM 10 H3 VAL A 1 6.833 -7.613 2.163 1.00 1.65 H ATOM 11 HA VAL A 1 6.186 -7.116 -0.035 1.00 1.35 H ATOM 12 HB VAL A 1 3.775 -6.861 0.702 1.00 1.79 H ATOM 13 HG11 VAL A 1 4.039 -5.184 2.405 1.00 2.29 H ATOM 14 HG12 VAL A 1 2.966 -4.586 1.140 1.00 2.21 H ATOM 15 HG13 VAL A 1 4.639 -4.029 1.216 1.00 2.30 H ATOM 16 HG21 VAL A 1 4.882 -4.872 -1.268 1.00 2.05 H ATOM 17 HG22 VAL A 1 3.192 -5.367 -1.163 1.00 2.00 H ATOM 18 HG23 VAL A 1 4.430 -6.543 -1.605 1.00 2.09 H ATOM 19 N LEU A 2 7.776 -5.420 1.701 1.00 0.51 N ATOM 20 CA LEU A 2 8.708 -4.336 1.979 1.00 0.77 C ATOM 21 C LEU A 2 10.155 -4.820 2.039 1.00 0.48 C ATOM 22 O LEU A 2 10.685 -5.158 3.097 1.00 0.60 O ATOM 23 CB LEU A 2 8.334 -3.606 3.264 1.00 1.37 C ATOM 24 CG LEU A 2 8.197 -4.460 4.532 1.00 2.23 C ATOM 25 CD1 LEU A 2 8.462 -3.613 5.766 1.00 3.06 C ATOM 26 CD2 LEU A 2 6.809 -5.075 4.623 1.00 2.69 C ATOM 27 H LEU A 2 7.887 -6.284 2.139 1.00 0.74 H ATOM 28 HA LEU A 2 8.628 -3.634 1.162 1.00 1.13 H ATOM 29 HB2 LEU A 2 9.082 -2.856 3.443 1.00 1.34 H ATOM 30 HB3 LEU A 2 7.396 -3.113 3.087 1.00 1.54 H ATOM 31 HG LEU A 2 8.923 -5.260 4.507 1.00 2.48 H ATOM 32 HD11 LEU A 2 8.371 -4.227 6.650 1.00 3.41 H ATOM 33 HD12 LEU A 2 7.742 -2.808 5.811 1.00 3.47 H ATOM 34 HD13 LEU A 2 9.459 -3.202 5.714 1.00 3.48 H ATOM 35 HD21 LEU A 2 6.072 -4.290 4.701 1.00 3.03 H ATOM 36 HD22 LEU A 2 6.752 -5.711 5.492 1.00 3.01 H ATOM 37 HD23 LEU A 2 6.617 -5.660 3.735 1.00 3.05 H ATOM 38 N PRO A 3 10.797 -4.867 0.875 1.00 0.32 N ATOM 39 CA PRO A 3 12.193 -5.267 0.726 1.00 0.25 C ATOM 40 C PRO A 3 13.168 -4.126 1.031 1.00 0.28 C ATOM 41 O PRO A 3 14.063 -4.270 1.859 1.00 0.49 O ATOM 42 CB PRO A 3 12.285 -5.668 -0.758 1.00 0.45 C ATOM 43 CG PRO A 3 10.899 -5.513 -1.314 1.00 0.63 C ATOM 44 CD PRO A 3 10.194 -4.552 -0.404 1.00 0.54 C ATOM 45 HA PRO A 3 12.430 -6.118 1.347 1.00 0.36 H ATOM 46 HB2 PRO A 3 12.984 -5.017 -1.263 1.00 0.67 H ATOM 47 HB3 PRO A 3 12.626 -6.689 -0.834 1.00 0.55 H ATOM 48 HG2 PRO A 3 10.947 -5.114 -2.316 1.00 0.89 H ATOM 49 HG3 PRO A 3 10.395 -6.468 -1.313 1.00 0.97 H ATOM 50 HD2 PRO A 3 10.401 -3.533 -0.685 1.00 0.65 H ATOM 51 HD3 PRO A 3 9.127 -4.733 -0.375 1.00 0.82 H ATOM 52 N ALA A 4 12.966 -2.983 0.374 1.00 0.18 N ATOM 53 CA ALA A 4 13.826 -1.817 0.564 1.00 0.22 C ATOM 54 C ALA A 4 13.186 -0.572 -0.038 1.00 0.19 C ATOM 55 O ALA A 4 12.622 0.258 0.674 1.00 0.21 O ATOM 56 CB ALA A 4 15.197 -2.055 -0.055 1.00 0.30 C ATOM 57 H ALA A 4 12.228 -2.928 -0.263 1.00 0.21 H ATOM 58 HA ALA A 4 13.955 -1.667 1.626 1.00 0.27 H ATOM 59 HB1 ALA A 4 15.835 -1.210 0.149 1.00 1.08 H ATOM 60 HB2 ALA A 4 15.091 -2.176 -1.121 1.00 1.06 H ATOM 61 HB3 ALA A 4 15.632 -2.947 0.368 1.00 1.07 H ATOM 62 N LEU A 5 13.249 -0.449 -1.353 1.00 0.23 N ATOM 63 CA LEU A 5 12.625 0.680 -2.026 1.00 0.27 C ATOM 64 C LEU A 5 11.097 0.580 -1.943 1.00 0.24 C ATOM 65 O LEU A 5 10.438 1.549 -1.559 1.00 0.26 O ATOM 66 CB LEU A 5 13.106 0.814 -3.480 1.00 0.41 C ATOM 67 CG LEU A 5 14.528 1.365 -3.661 1.00 1.24 C ATOM 68 CD1 LEU A 5 15.574 0.361 -3.195 1.00 1.89 C ATOM 69 CD2 LEU A 5 14.765 1.746 -5.112 1.00 2.00 C ATOM 70 H LEU A 5 13.724 -1.127 -1.882 1.00 0.28 H ATOM 71 HA LEU A 5 12.924 1.566 -1.487 1.00 0.29 H ATOM 72 HB2 LEU A 5 13.063 -0.158 -3.943 1.00 0.90 H ATOM 73 HB3 LEU A 5 12.425 1.469 -3.999 1.00 0.93 H ATOM 74 HG LEU A 5 14.636 2.257 -3.062 1.00 1.99 H ATOM 75 HD11 LEU A 5 16.561 0.782 -3.328 1.00 2.35 H ATOM 76 HD12 LEU A 5 15.489 -0.544 -3.778 1.00 2.40 H ATOM 77 HD13 LEU A 5 15.417 0.135 -2.152 1.00 2.34 H ATOM 78 HD21 LEU A 5 14.650 0.872 -5.737 1.00 2.46 H ATOM 79 HD22 LEU A 5 15.766 2.139 -5.223 1.00 2.45 H ATOM 80 HD23 LEU A 5 14.048 2.497 -5.409 1.00 2.53 H ATOM 81 N PRO A 6 10.498 -0.595 -2.260 1.00 0.27 N ATOM 82 CA PRO A 6 9.065 -0.829 -2.042 1.00 0.31 C ATOM 83 C PRO A 6 8.698 -0.828 -0.557 1.00 0.27 C ATOM 84 O PRO A 6 7.528 -0.898 -0.200 1.00 0.36 O ATOM 85 CB PRO A 6 8.806 -2.211 -2.652 1.00 0.39 C ATOM 86 CG PRO A 6 9.978 -2.480 -3.527 1.00 0.40 C ATOM 87 CD PRO A 6 11.135 -1.763 -2.896 1.00 0.32 C ATOM 88 HA PRO A 6 8.465 -0.089 -2.554 1.00 0.37 H ATOM 89 HB2 PRO A 6 8.727 -2.945 -1.863 1.00 0.39 H ATOM 90 HB3 PRO A 6 7.889 -2.187 -3.221 1.00 0.49 H ATOM 91 HG2 PRO A 6 10.172 -3.542 -3.566 1.00 0.42 H ATOM 92 HG3 PRO A 6 9.793 -2.094 -4.518 1.00 0.48 H ATOM 93 HD2 PRO A 6 11.617 -2.389 -2.158 1.00 0.30 H ATOM 94 HD3 PRO A 6 11.838 -1.455 -3.650 1.00 0.40 H ATOM 95 N LEU A 7 9.702 -0.777 0.312 1.00 0.19 N ATOM 96 CA LEU A 7 9.453 -0.698 1.744 1.00 0.23 C ATOM 97 C LEU A 7 8.824 0.648 2.079 1.00 0.24 C ATOM 98 O LEU A 7 7.851 0.717 2.819 1.00 0.35 O ATOM 99 CB LEU A 7 10.757 -0.918 2.528 1.00 0.27 C ATOM 100 CG LEU A 7 10.652 -0.905 4.060 1.00 0.45 C ATOM 101 CD1 LEU A 7 11.763 -1.750 4.661 1.00 0.69 C ATOM 102 CD2 LEU A 7 10.742 0.515 4.604 1.00 0.68 C ATOM 103 H LEU A 7 10.623 -0.774 -0.019 1.00 0.15 H ATOM 104 HA LEU A 7 8.753 -1.479 1.998 1.00 0.31 H ATOM 105 HB2 LEU A 7 11.165 -1.873 2.233 1.00 0.25 H ATOM 106 HB3 LEU A 7 11.457 -0.148 2.235 1.00 0.27 H ATOM 107 HG LEU A 7 9.704 -1.324 4.361 1.00 0.66 H ATOM 108 HD11 LEU A 7 11.681 -1.739 5.737 1.00 1.29 H ATOM 109 HD12 LEU A 7 12.721 -1.346 4.369 1.00 1.26 H ATOM 110 HD13 LEU A 7 11.676 -2.766 4.303 1.00 1.30 H ATOM 111 HD21 LEU A 7 10.630 0.496 5.679 1.00 1.29 H ATOM 112 HD22 LEU A 7 9.956 1.117 4.173 1.00 1.26 H ATOM 113 HD23 LEU A 7 11.700 0.939 4.350 1.00 1.28 H ATOM 114 N LEU A 8 9.371 1.718 1.525 1.00 0.18 N ATOM 115 CA LEU A 8 8.804 3.041 1.748 1.00 0.20 C ATOM 116 C LEU A 8 7.788 3.377 0.668 1.00 0.18 C ATOM 117 O LEU A 8 6.612 3.595 0.956 1.00 0.16 O ATOM 118 CB LEU A 8 9.903 4.101 1.793 1.00 0.33 C ATOM 119 CG LEU A 8 9.417 5.536 1.994 1.00 0.36 C ATOM 120 CD1 LEU A 8 8.661 5.672 3.306 1.00 0.61 C ATOM 121 CD2 LEU A 8 10.588 6.503 1.948 1.00 0.66 C ATOM 122 H LEU A 8 10.167 1.616 0.952 1.00 0.19 H ATOM 123 HA LEU A 8 8.292 3.023 2.700 1.00 0.21 H ATOM 124 HB2 LEU A 8 10.577 3.854 2.599 1.00 0.39 H ATOM 125 HB3 LEU A 8 10.451 4.058 0.863 1.00 0.37 H ATOM 126 HG LEU A 8 8.739 5.790 1.194 1.00 0.53 H ATOM 127 HD11 LEU A 8 8.373 6.702 3.449 1.00 1.23 H ATOM 128 HD12 LEU A 8 9.294 5.359 4.122 1.00 1.28 H ATOM 129 HD13 LEU A 8 7.776 5.052 3.277 1.00 1.21 H ATOM 130 HD21 LEU A 8 10.230 7.510 2.101 1.00 1.30 H ATOM 131 HD22 LEU A 8 11.074 6.435 0.986 1.00 1.24 H ATOM 132 HD23 LEU A 8 11.294 6.250 2.726 1.00 1.28 H ATOM 133 N ALA A 9 8.247 3.397 -0.575 1.00 0.28 N ATOM 134 CA ALA A 9 7.397 3.738 -1.706 1.00 0.38 C ATOM 135 C ALA A 9 6.217 2.786 -1.808 1.00 0.38 C ATOM 136 O ALA A 9 5.087 3.196 -2.083 1.00 0.44 O ATOM 137 CB ALA A 9 8.211 3.702 -2.985 1.00 0.51 C ATOM 138 H ALA A 9 9.190 3.174 -0.740 1.00 0.32 H ATOM 139 HA ALA A 9 7.030 4.743 -1.563 1.00 0.40 H ATOM 140 HB1 ALA A 9 8.659 2.724 -3.094 1.00 1.20 H ATOM 141 HB2 ALA A 9 8.988 4.450 -2.937 1.00 1.12 H ATOM 142 HB3 ALA A 9 7.568 3.901 -3.828 1.00 1.13 H ATOM 143 N GLY A 10 6.486 1.516 -1.562 1.00 0.35 N ATOM 144 CA GLY A 10 5.456 0.510 -1.648 1.00 0.45 C ATOM 145 C GLY A 10 4.450 0.621 -0.523 1.00 0.41 C ATOM 146 O GLY A 10 3.246 0.615 -0.761 1.00 0.52 O ATOM 147 H GLY A 10 7.395 1.262 -1.311 1.00 0.31 H ATOM 148 HA2 GLY A 10 4.945 0.618 -2.591 1.00 0.55 H ATOM 149 HA3 GLY A 10 5.916 -0.465 -1.609 1.00 0.48 H ATOM 150 N LEU A 11 4.946 0.763 0.702 1.00 0.29 N ATOM 151 CA LEU A 11 4.089 0.801 1.890 1.00 0.31 C ATOM 152 C LEU A 11 3.156 2.002 1.900 1.00 0.23 C ATOM 153 O LEU A 11 2.273 2.106 2.753 1.00 0.22 O ATOM 154 CB LEU A 11 4.948 0.795 3.150 1.00 0.35 C ATOM 155 CG LEU A 11 5.044 -0.557 3.855 1.00 0.53 C ATOM 156 CD1 LEU A 11 3.702 -0.951 4.452 1.00 0.65 C ATOM 157 CD2 LEU A 11 5.523 -1.620 2.882 1.00 0.57 C ATOM 158 H LEU A 11 5.920 0.840 0.818 1.00 0.23 H ATOM 159 HA LEU A 11 3.488 -0.095 1.883 1.00 0.43 H ATOM 160 HB2 LEU A 11 5.946 1.104 2.873 1.00 0.28 H ATOM 161 HB3 LEU A 11 4.551 1.517 3.842 1.00 0.37 H ATOM 162 HG LEU A 11 5.761 -0.489 4.658 1.00 0.59 H ATOM 163 HD11 LEU A 11 2.968 -1.034 3.664 1.00 1.25 H ATOM 164 HD12 LEU A 11 3.388 -0.197 5.159 1.00 1.20 H ATOM 165 HD13 LEU A 11 3.798 -1.901 4.957 1.00 1.22 H ATOM 166 HD21 LEU A 11 6.540 -1.402 2.586 1.00 1.16 H ATOM 167 HD22 LEU A 11 4.888 -1.615 2.006 1.00 1.17 H ATOM 168 HD23 LEU A 11 5.481 -2.588 3.354 1.00 1.19 H ATOM 169 N MET A 12 3.342 2.906 0.961 1.00 0.21 N ATOM 170 CA MET A 12 2.466 4.058 0.859 1.00 0.18 C ATOM 171 C MET A 12 1.278 3.772 -0.058 1.00 0.17 C ATOM 172 O MET A 12 0.133 3.697 0.394 1.00 0.17 O ATOM 173 CB MET A 12 3.244 5.266 0.341 1.00 0.21 C ATOM 174 CG MET A 12 4.338 5.728 1.292 1.00 0.24 C ATOM 175 SD MET A 12 5.019 7.345 0.867 1.00 1.46 S ATOM 176 CE MET A 12 5.943 6.953 -0.613 1.00 2.10 C ATOM 177 H MET A 12 4.088 2.796 0.332 1.00 0.22 H ATOM 178 HA MET A 12 2.095 4.278 1.849 1.00 0.19 H ATOM 179 HB2 MET A 12 3.701 4.998 -0.604 1.00 0.23 H ATOM 180 HB3 MET A 12 2.559 6.085 0.183 1.00 0.22 H ATOM 181 HG2 MET A 12 3.932 5.775 2.290 1.00 0.82 H ATOM 182 HG3 MET A 12 5.138 5.001 1.265 1.00 0.85 H ATOM 183 HE1 MET A 12 6.360 7.858 -1.028 1.00 2.56 H ATOM 184 HE2 MET A 12 5.289 6.491 -1.336 1.00 2.58 H ATOM 185 HE3 MET A 12 6.743 6.271 -0.364 1.00 2.52 H ATOM 186 N SER A 13 1.556 3.540 -1.329 1.00 0.19 N ATOM 187 CA SER A 13 0.498 3.443 -2.330 1.00 0.22 C ATOM 188 C SER A 13 -0.059 2.027 -2.455 1.00 0.19 C ATOM 189 O SER A 13 -1.260 1.842 -2.662 1.00 0.22 O ATOM 190 CB SER A 13 1.022 3.922 -3.681 1.00 0.32 C ATOM 191 OG SER A 13 2.274 3.327 -3.980 1.00 1.27 O ATOM 192 H SER A 13 2.495 3.445 -1.606 1.00 0.22 H ATOM 193 HA SER A 13 -0.302 4.097 -2.020 1.00 0.24 H ATOM 194 HB2 SER A 13 0.317 3.655 -4.454 1.00 1.07 H ATOM 195 HB3 SER A 13 1.142 4.996 -3.659 1.00 1.01 H ATOM 196 HG SER A 13 2.980 3.950 -3.759 1.00 1.76 H ATOM 197 N LEU A 14 0.809 1.035 -2.302 1.00 0.21 N ATOM 198 CA LEU A 14 0.440 -0.357 -2.530 1.00 0.24 C ATOM 199 C LEU A 14 -0.694 -0.825 -1.613 1.00 0.21 C ATOM 200 O LEU A 14 -1.681 -1.370 -2.103 1.00 0.27 O ATOM 201 CB LEU A 14 1.656 -1.270 -2.398 1.00 0.30 C ATOM 202 CG LEU A 14 2.549 -1.354 -3.640 1.00 0.37 C ATOM 203 CD1 LEU A 14 3.026 0.026 -4.075 1.00 0.95 C ATOM 204 CD2 LEU A 14 3.726 -2.270 -3.371 1.00 0.83 C ATOM 205 H LEU A 14 1.726 1.241 -2.022 1.00 0.24 H ATOM 206 HA LEU A 14 0.089 -0.425 -3.549 1.00 0.27 H ATOM 207 HB2 LEU A 14 2.259 -0.913 -1.574 1.00 0.29 H ATOM 208 HB3 LEU A 14 1.312 -2.262 -2.163 1.00 0.34 H ATOM 209 HG LEU A 14 1.977 -1.776 -4.453 1.00 0.79 H ATOM 210 HD11 LEU A 14 3.927 -0.070 -4.661 1.00 1.52 H ATOM 211 HD12 LEU A 14 3.220 0.637 -3.202 1.00 1.53 H ATOM 212 HD13 LEU A 14 2.259 0.496 -4.674 1.00 1.53 H ATOM 213 HD21 LEU A 14 4.297 -1.887 -2.540 1.00 1.40 H ATOM 214 HD22 LEU A 14 4.352 -2.317 -4.249 1.00 1.45 H ATOM 215 HD23 LEU A 14 3.362 -3.258 -3.134 1.00 1.47 H ATOM 216 N PRO A 15 -0.611 -0.623 -0.280 1.00 0.20 N ATOM 217 CA PRO A 15 -1.677 -1.051 0.605 1.00 0.23 C ATOM 218 C PRO A 15 -2.828 -0.055 0.603 1.00 0.20 C ATOM 219 O PRO A 15 -3.966 -0.417 0.879 1.00 0.30 O ATOM 220 CB PRO A 15 -1.013 -1.130 1.978 1.00 0.32 C ATOM 221 CG PRO A 15 0.169 -0.219 1.915 1.00 0.31 C ATOM 222 CD PRO A 15 0.477 0.043 0.460 1.00 0.24 C ATOM 223 HA PRO A 15 -2.047 -2.026 0.326 1.00 0.26 H ATOM 224 HB2 PRO A 15 -1.716 -0.810 2.735 1.00 0.36 H ATOM 225 HB3 PRO A 15 -0.712 -2.147 2.172 1.00 0.39 H ATOM 226 HG2 PRO A 15 -0.063 0.709 2.413 1.00 0.34 H ATOM 227 HG3 PRO A 15 1.015 -0.692 2.394 1.00 0.40 H ATOM 228 HD2 PRO A 15 0.468 1.109 0.268 1.00 0.25 H ATOM 229 HD3 PRO A 15 1.436 -0.377 0.197 1.00 0.32 H ATOM 230 N PHE A 16 -2.523 1.194 0.257 1.00 0.16 N ATOM 231 CA PHE A 16 -3.525 2.244 0.224 1.00 0.22 C ATOM 232 C PHE A 16 -4.574 1.961 -0.849 1.00 0.22 C ATOM 233 O PHE A 16 -5.755 1.801 -0.550 1.00 0.32 O ATOM 234 CB PHE A 16 -2.854 3.587 -0.046 1.00 0.29 C ATOM 235 CG PHE A 16 -3.630 4.759 0.466 1.00 0.43 C ATOM 236 CD1 PHE A 16 -4.328 5.564 -0.414 1.00 0.57 C ATOM 237 CD2 PHE A 16 -3.669 5.052 1.817 1.00 0.76 C ATOM 238 CE1 PHE A 16 -5.053 6.646 0.042 1.00 0.80 C ATOM 239 CE2 PHE A 16 -4.390 6.132 2.282 1.00 1.01 C ATOM 240 CZ PHE A 16 -5.057 6.931 1.439 1.00 0.98 C ATOM 241 H PHE A 16 -1.590 1.418 0.031 1.00 0.17 H ATOM 242 HA PHE A 16 -4.008 2.277 1.189 1.00 0.30 H ATOM 243 HB2 PHE A 16 -1.884 3.600 0.428 1.00 0.45 H ATOM 244 HB3 PHE A 16 -2.728 3.712 -1.112 1.00 0.40 H ATOM 245 HD1 PHE A 16 -4.301 5.336 -1.472 1.00 0.71 H ATOM 246 HD2 PHE A 16 -3.127 4.427 2.510 1.00 0.91 H ATOM 247 HE1 PHE A 16 -5.593 7.268 -0.656 1.00 0.97 H ATOM 248 HE2 PHE A 16 -4.413 6.352 3.339 1.00 1.32 H ATOM 249 HZ PHE A 16 -5.612 7.776 1.817 1.00 1.21 H ATOM 250 N LEU A 17 -4.128 1.879 -2.096 1.00 0.22 N ATOM 251 CA LEU A 17 -5.019 1.652 -3.225 1.00 0.33 C ATOM 252 C LEU A 17 -5.732 0.312 -3.107 1.00 0.33 C ATOM 253 O LEU A 17 -6.908 0.192 -3.453 1.00 0.44 O ATOM 254 CB LEU A 17 -4.239 1.717 -4.540 1.00 0.45 C ATOM 255 CG LEU A 17 -4.037 3.120 -5.133 1.00 1.03 C ATOM 256 CD1 LEU A 17 -5.376 3.761 -5.462 1.00 1.93 C ATOM 257 CD2 LEU A 17 -3.241 4.008 -4.189 1.00 1.50 C ATOM 258 H LEU A 17 -3.167 1.977 -2.265 1.00 0.22 H ATOM 259 HA LEU A 17 -5.759 2.436 -3.219 1.00 0.43 H ATOM 260 HB2 LEU A 17 -3.265 1.280 -4.373 1.00 0.63 H ATOM 261 HB3 LEU A 17 -4.759 1.117 -5.265 1.00 0.90 H ATOM 262 HG LEU A 17 -3.481 3.031 -6.055 1.00 1.42 H ATOM 263 HD11 LEU A 17 -5.921 3.125 -6.143 1.00 2.42 H ATOM 264 HD12 LEU A 17 -5.210 4.723 -5.924 1.00 2.41 H ATOM 265 HD13 LEU A 17 -5.947 3.890 -4.556 1.00 2.41 H ATOM 266 HD21 LEU A 17 -2.267 3.573 -4.020 1.00 1.95 H ATOM 267 HD22 LEU A 17 -3.764 4.093 -3.247 1.00 2.00 H ATOM 268 HD23 LEU A 17 -3.128 4.988 -4.627 1.00 1.99 H ATOM 269 N GLN A 18 -5.023 -0.690 -2.605 1.00 0.30 N ATOM 270 CA GLN A 18 -5.600 -2.015 -2.401 1.00 0.40 C ATOM 271 C GLN A 18 -6.636 -1.985 -1.286 1.00 0.46 C ATOM 272 O GLN A 18 -7.610 -2.739 -1.310 1.00 0.56 O ATOM 273 CB GLN A 18 -4.501 -3.032 -2.088 1.00 0.48 C ATOM 274 CG GLN A 18 -3.892 -3.688 -3.322 1.00 0.66 C ATOM 275 CD GLN A 18 -3.764 -2.744 -4.503 1.00 1.28 C ATOM 276 OE1 GLN A 18 -4.663 -2.658 -5.341 1.00 2.28 O ATOM 277 NE2 GLN A 18 -2.663 -2.023 -4.571 1.00 1.17 N ATOM 278 H GLN A 18 -4.083 -0.537 -2.368 1.00 0.27 H ATOM 279 HA GLN A 18 -6.092 -2.304 -3.319 1.00 0.47 H ATOM 280 HB2 GLN A 18 -3.711 -2.535 -1.546 1.00 0.54 H ATOM 281 HB3 GLN A 18 -4.917 -3.810 -1.464 1.00 0.64 H ATOM 282 HG2 GLN A 18 -2.908 -4.051 -3.068 1.00 1.02 H ATOM 283 HG3 GLN A 18 -4.515 -4.521 -3.614 1.00 1.38 H ATOM 284 HE21 GLN A 18 -1.991 -2.133 -3.859 1.00 0.85 H ATOM 285 HE22 GLN A 18 -2.555 -1.405 -5.327 1.00 1.83 H ATOM 286 N HIS A 19 -6.427 -1.104 -0.317 1.00 0.46 N ATOM 287 CA HIS A 19 -7.380 -0.930 0.765 1.00 0.61 C ATOM 288 C HIS A 19 -8.632 -0.256 0.236 1.00 0.67 C ATOM 289 O HIS A 19 -9.738 -0.649 0.573 1.00 0.82 O ATOM 290 CB HIS A 19 -6.784 -0.086 1.891 1.00 0.71 C ATOM 291 CG HIS A 19 -7.471 -0.262 3.211 1.00 0.90 C ATOM 292 ND1 HIS A 19 -8.825 -0.068 3.406 1.00 1.24 N ATOM 293 CD2 HIS A 19 -6.974 -0.643 4.410 1.00 1.01 C ATOM 294 CE1 HIS A 19 -9.124 -0.320 4.664 1.00 1.42 C ATOM 295 NE2 HIS A 19 -8.022 -0.671 5.295 1.00 1.29 N ATOM 296 H HIS A 19 -5.609 -0.561 -0.325 1.00 0.42 H ATOM 297 HA HIS A 19 -7.640 -1.906 1.147 1.00 0.67 H ATOM 298 HB2 HIS A 19 -5.747 -0.353 2.021 1.00 0.75 H ATOM 299 HB3 HIS A 19 -6.849 0.958 1.620 1.00 0.79 H ATOM 300 HD1 HIS A 19 -9.478 0.214 2.720 1.00 1.42 H ATOM 301 HD2 HIS A 19 -5.941 -0.879 4.628 1.00 1.06 H ATOM 302 HE1 HIS A 19 -10.108 -0.257 5.102 1.00 1.72 H ATOM 303 HE2 HIS A 19 -7.938 -0.763 6.271 1.00 1.48 H ATOM 304 N LYS A 20 -8.443 0.736 -0.627 1.00 0.65 N ATOM 305 CA LYS A 20 -9.558 1.514 -1.154 1.00 0.81 C ATOM 306 C LYS A 20 -10.319 0.684 -2.169 1.00 0.82 C ATOM 307 O LYS A 20 -11.505 0.901 -2.425 1.00 0.98 O ATOM 308 CB LYS A 20 -9.061 2.795 -1.816 1.00 0.97 C ATOM 309 CG LYS A 20 -8.174 3.653 -0.928 1.00 0.98 C ATOM 310 CD LYS A 20 -7.755 4.943 -1.623 1.00 1.26 C ATOM 311 CE LYS A 20 -8.950 5.829 -1.946 1.00 1.81 C ATOM 312 NZ LYS A 20 -8.539 7.097 -2.606 1.00 2.38 N ATOM 313 H LYS A 20 -7.531 0.935 -0.936 1.00 0.60 H ATOM 314 HA LYS A 20 -10.212 1.764 -0.338 1.00 0.91 H ATOM 315 HB2 LYS A 20 -8.502 2.529 -2.695 1.00 1.52 H ATOM 316 HB3 LYS A 20 -9.917 3.382 -2.109 1.00 1.46 H ATOM 317 HG2 LYS A 20 -8.712 3.901 -0.026 1.00 1.41 H ATOM 318 HG3 LYS A 20 -7.283 3.089 -0.676 1.00 1.49 H ATOM 319 HD2 LYS A 20 -7.083 5.486 -0.976 1.00 1.62 H ATOM 320 HD3 LYS A 20 -7.246 4.692 -2.543 1.00 1.69 H ATOM 321 HE2 LYS A 20 -9.614 5.292 -2.606 1.00 2.31 H ATOM 322 HE3 LYS A 20 -9.468 6.062 -1.027 1.00 2.26 H ATOM 323 HZ1 LYS A 20 -9.345 7.658 -2.805 1.00 2.71 H ATOM 324 HZ2 LYS A 20 -8.067 6.903 -3.462 1.00 2.79 H ATOM 325 HZ3 LYS A 20 -7.925 7.614 -2.010 1.00 2.74 H ATOM 326 N LEU A 21 -9.602 -0.265 -2.747 1.00 0.74 N ATOM 327 CA LEU A 21 -10.153 -1.195 -3.712 1.00 0.86 C ATOM 328 C LEU A 21 -11.264 -2.027 -3.082 1.00 0.96 C ATOM 329 O LEU A 21 -12.257 -2.353 -3.730 1.00 1.14 O ATOM 330 CB LEU A 21 -9.031 -2.105 -4.208 1.00 0.84 C ATOM 331 CG LEU A 21 -9.365 -2.979 -5.422 1.00 1.10 C ATOM 332 CD1 LEU A 21 -9.689 -2.122 -6.635 1.00 1.65 C ATOM 333 CD2 LEU A 21 -8.211 -3.922 -5.729 1.00 1.80 C ATOM 334 H LEU A 21 -8.650 -0.334 -2.518 1.00 0.66 H ATOM 335 HA LEU A 21 -10.551 -0.632 -4.541 1.00 0.99 H ATOM 336 HB2 LEU A 21 -8.180 -1.484 -4.450 1.00 0.79 H ATOM 337 HB3 LEU A 21 -8.750 -2.760 -3.395 1.00 0.80 H ATOM 338 HG LEU A 21 -10.235 -3.579 -5.196 1.00 1.61 H ATOM 339 HD11 LEU A 21 -9.864 -2.759 -7.491 1.00 2.13 H ATOM 340 HD12 LEU A 21 -8.860 -1.461 -6.841 1.00 2.12 H ATOM 341 HD13 LEU A 21 -10.574 -1.538 -6.436 1.00 2.18 H ATOM 342 HD21 LEU A 21 -8.466 -4.541 -6.577 1.00 2.31 H ATOM 343 HD22 LEU A 21 -8.021 -4.547 -4.870 1.00 2.31 H ATOM 344 HD23 LEU A 21 -7.326 -3.345 -5.956 1.00 2.27 H ATOM 345 N THR A 22 -11.089 -2.364 -1.814 1.00 0.92 N ATOM 346 CA THR A 22 -12.060 -3.176 -1.102 1.00 1.10 C ATOM 347 C THR A 22 -12.918 -2.335 -0.149 1.00 1.19 C ATOM 348 O THR A 22 -14.120 -2.572 -0.003 1.00 1.44 O ATOM 349 CB THR A 22 -11.347 -4.289 -0.315 1.00 1.19 C ATOM 350 OG1 THR A 22 -10.288 -3.727 0.475 1.00 1.81 O ATOM 351 CG2 THR A 22 -10.775 -5.334 -1.263 1.00 1.51 C ATOM 352 H THR A 22 -10.275 -2.074 -1.347 1.00 0.84 H ATOM 353 HA THR A 22 -12.704 -3.641 -1.834 1.00 1.23 H ATOM 354 HB THR A 22 -12.062 -4.766 0.337 1.00 1.62 H ATOM 355 HG1 THR A 22 -10.629 -3.491 1.348 1.00 2.30 H ATOM 356 HG21 THR A 22 -11.572 -5.768 -1.847 1.00 1.97 H ATOM 357 HG22 THR A 22 -10.285 -6.108 -0.691 1.00 2.04 H ATOM 358 HG23 THR A 22 -10.057 -4.866 -1.922 1.00 1.95 H ATOM 359 N ASN A 23 -12.301 -1.348 0.486 1.00 1.13 N ATOM 360 CA ASN A 23 -12.978 -0.520 1.474 1.00 1.33 C ATOM 361 C ASN A 23 -12.221 0.789 1.663 1.00 1.94 C ATOM 362 O ASN A 23 -11.253 0.811 2.456 1.00 2.64 O ATOM 363 CB ASN A 23 -13.086 -1.263 2.810 1.00 1.97 C ATOM 364 CG ASN A 23 -13.847 -0.477 3.862 1.00 2.54 C ATOM 365 OD1 ASN A 23 -15.061 -0.611 3.999 1.00 3.05 O ATOM 366 ND2 ASN A 23 -13.137 0.349 4.613 1.00 3.13 N ATOM 367 OXT ASN A 23 -12.584 1.785 1.006 1.00 2.58 O ATOM 368 H ASN A 23 -11.356 -1.160 0.278 1.00 1.07 H ATOM 369 HA ASN A 23 -13.969 -0.302 1.106 1.00 1.77 H ATOM 370 HB2 ASN A 23 -13.597 -2.201 2.651 1.00 2.48 H ATOM 371 HB3 ASN A 23 -12.091 -1.460 3.185 1.00 2.44 H ATOM 372 HD21 ASN A 23 -12.171 0.411 4.446 1.00 3.26 H ATOM 373 HD22 ASN A 23 -13.603 0.866 5.302 1.00 3.71 H TER 374 ASN A 23 ENDMDL MODEL 5 ATOM 1 N VAL A 1 4.841 -6.709 1.000 1.00 1.27 N ATOM 2 CA VAL A 1 5.385 -5.960 -0.158 1.00 1.06 C ATOM 3 C VAL A 1 6.376 -4.880 0.272 1.00 0.70 C ATOM 4 O VAL A 1 6.132 -3.688 0.076 1.00 1.03 O ATOM 5 CB VAL A 1 4.267 -5.288 -0.974 1.00 1.23 C ATOM 6 CG1 VAL A 1 3.601 -6.283 -1.907 1.00 1.80 C ATOM 7 CG2 VAL A 1 3.232 -4.638 -0.062 1.00 1.58 C ATOM 8 H1 VAL A 1 4.355 -6.088 1.616 1.00 1.67 H ATOM 9 H2 VAL A 1 5.580 -7.146 1.508 1.00 1.64 H ATOM 10 H3 VAL A 1 4.206 -7.416 0.689 1.00 1.65 H ATOM 11 HA VAL A 1 5.895 -6.663 -0.802 1.00 1.35 H ATOM 12 HB VAL A 1 4.723 -4.516 -1.564 1.00 1.79 H ATOM 13 HG11 VAL A 1 2.795 -5.797 -2.436 1.00 2.29 H ATOM 14 HG12 VAL A 1 3.210 -7.109 -1.334 1.00 2.21 H ATOM 15 HG13 VAL A 1 4.327 -6.650 -2.618 1.00 2.30 H ATOM 16 HG21 VAL A 1 3.711 -3.885 0.549 1.00 2.05 H ATOM 17 HG22 VAL A 1 2.790 -5.388 0.573 1.00 2.00 H ATOM 18 HG23 VAL A 1 2.462 -4.177 -0.664 1.00 2.09 H ATOM 19 N LEU A 2 7.503 -5.288 0.835 1.00 0.51 N ATOM 20 CA LEU A 2 8.473 -4.329 1.345 1.00 0.77 C ATOM 21 C LEU A 2 9.884 -4.908 1.427 1.00 0.48 C ATOM 22 O LEU A 2 10.318 -5.409 2.463 1.00 0.60 O ATOM 23 CB LEU A 2 8.037 -3.783 2.701 1.00 1.37 C ATOM 24 CG LEU A 2 7.673 -4.817 3.777 1.00 2.23 C ATOM 25 CD1 LEU A 2 7.843 -4.214 5.163 1.00 3.06 C ATOM 26 CD2 LEU A 2 6.239 -5.297 3.598 1.00 2.69 C ATOM 27 H LEU A 2 7.692 -6.247 0.896 1.00 0.74 H ATOM 28 HA LEU A 2 8.495 -3.505 0.646 1.00 1.13 H ATOM 29 HB2 LEU A 2 8.835 -3.171 3.077 1.00 1.34 H ATOM 30 HB3 LEU A 2 7.179 -3.157 2.529 1.00 1.54 H ATOM 31 HG LEU A 2 8.331 -5.670 3.694 1.00 2.48 H ATOM 32 HD11 LEU A 2 7.202 -3.349 5.261 1.00 3.41 H ATOM 33 HD12 LEU A 2 8.872 -3.917 5.303 1.00 3.47 H ATOM 34 HD13 LEU A 2 7.576 -4.947 5.910 1.00 3.48 H ATOM 35 HD21 LEU A 2 6.056 -6.139 4.249 1.00 3.03 H ATOM 36 HD22 LEU A 2 6.083 -5.592 2.566 1.00 3.01 H ATOM 37 HD23 LEU A 2 5.558 -4.497 3.847 1.00 3.05 H ATOM 38 N PRO A 3 10.602 -4.844 0.309 1.00 0.32 N ATOM 39 CA PRO A 3 11.984 -5.304 0.187 1.00 0.25 C ATOM 40 C PRO A 3 12.995 -4.269 0.693 1.00 0.28 C ATOM 41 O PRO A 3 13.853 -4.583 1.519 1.00 0.49 O ATOM 42 CB PRO A 3 12.144 -5.526 -1.331 1.00 0.45 C ATOM 43 CG PRO A 3 10.800 -5.226 -1.931 1.00 0.63 C ATOM 44 CD PRO A 3 10.108 -4.329 -0.950 1.00 0.54 C ATOM 45 HA PRO A 3 12.136 -6.238 0.706 1.00 0.36 H ATOM 46 HB2 PRO A 3 12.901 -4.857 -1.713 1.00 0.67 H ATOM 47 HB3 PRO A 3 12.435 -6.548 -1.517 1.00 0.55 H ATOM 48 HG2 PRO A 3 10.923 -4.723 -2.879 1.00 0.89 H ATOM 49 HG3 PRO A 3 10.242 -6.141 -2.061 1.00 0.97 H ATOM 50 HD2 PRO A 3 10.407 -3.301 -1.092 1.00 0.65 H ATOM 51 HD3 PRO A 3 9.030 -4.426 -1.002 1.00 0.82 H ATOM 52 N ALA A 4 12.880 -3.034 0.195 1.00 0.18 N ATOM 53 CA ALA A 4 13.762 -1.939 0.602 1.00 0.22 C ATOM 54 C ALA A 4 13.226 -0.599 0.099 1.00 0.19 C ATOM 55 O ALA A 4 12.662 0.187 0.861 1.00 0.21 O ATOM 56 CB ALA A 4 15.174 -2.169 0.086 1.00 0.30 C ATOM 57 H ALA A 4 12.189 -2.859 -0.472 1.00 0.21 H ATOM 58 HA ALA A 4 13.793 -1.921 1.681 1.00 0.27 H ATOM 59 HB1 ALA A 4 15.811 -1.359 0.407 1.00 1.08 H ATOM 60 HB2 ALA A 4 15.158 -2.208 -0.992 1.00 1.06 H ATOM 61 HB3 ALA A 4 15.551 -3.102 0.474 1.00 1.07 H ATOM 62 N LEU A 5 13.380 -0.341 -1.192 1.00 0.23 N ATOM 63 CA LEU A 5 12.841 0.880 -1.783 1.00 0.27 C ATOM 64 C LEU A 5 11.308 0.824 -1.822 1.00 0.24 C ATOM 65 O LEU A 5 10.648 1.771 -1.391 1.00 0.26 O ATOM 66 CB LEU A 5 13.431 1.154 -3.178 1.00 0.41 C ATOM 67 CG LEU A 5 14.876 1.667 -3.198 1.00 1.24 C ATOM 68 CD1 LEU A 5 15.851 0.595 -2.737 1.00 1.89 C ATOM 69 CD2 LEU A 5 15.243 2.152 -4.590 1.00 2.00 C ATOM 70 H LEU A 5 13.866 -0.981 -1.760 1.00 0.28 H ATOM 71 HA LEU A 5 13.124 1.692 -1.130 1.00 0.29 H ATOM 72 HB2 LEU A 5 13.397 0.239 -3.745 1.00 0.90 H ATOM 73 HB3 LEU A 5 12.807 1.884 -3.671 1.00 0.93 H ATOM 74 HG LEU A 5 14.959 2.504 -2.521 1.00 1.99 H ATOM 75 HD11 LEU A 5 16.852 0.997 -2.738 1.00 2.35 H ATOM 76 HD12 LEU A 5 15.803 -0.250 -3.408 1.00 2.40 H ATOM 77 HD13 LEU A 5 15.591 0.277 -1.738 1.00 2.34 H ATOM 78 HD21 LEU A 5 16.257 2.522 -4.584 1.00 2.46 H ATOM 79 HD22 LEU A 5 14.571 2.945 -4.882 1.00 2.45 H ATOM 80 HD23 LEU A 5 15.162 1.334 -5.290 1.00 2.53 H ATOM 81 N PRO A 6 10.707 -0.288 -2.318 1.00 0.27 N ATOM 82 CA PRO A 6 9.260 -0.518 -2.206 1.00 0.31 C ATOM 83 C PRO A 6 8.815 -0.698 -0.752 1.00 0.27 C ATOM 84 O PRO A 6 7.630 -0.801 -0.472 1.00 0.36 O ATOM 85 CB PRO A 6 9.015 -1.803 -3.003 1.00 0.39 C ATOM 86 CG PRO A 6 10.228 -1.981 -3.844 1.00 0.40 C ATOM 87 CD PRO A 6 11.358 -1.379 -3.064 1.00 0.32 C ATOM 88 HA PRO A 6 8.694 0.293 -2.648 1.00 0.37 H ATOM 89 HB2 PRO A 6 8.883 -2.630 -2.322 1.00 0.39 H ATOM 90 HB3 PRO A 6 8.131 -1.688 -3.610 1.00 0.49 H ATOM 91 HG2 PRO A 6 10.407 -3.031 -4.015 1.00 0.42 H ATOM 92 HG3 PRO A 6 10.103 -1.461 -4.783 1.00 0.48 H ATOM 93 HD2 PRO A 6 11.789 -2.106 -2.387 1.00 0.30 H ATOM 94 HD3 PRO A 6 12.107 -0.995 -3.733 1.00 0.40 H ATOM 95 N LEU A 7 9.766 -0.767 0.173 1.00 0.19 N ATOM 96 CA LEU A 7 9.429 -0.849 1.589 1.00 0.23 C ATOM 97 C LEU A 7 8.828 0.471 2.049 1.00 0.24 C ATOM 98 O LEU A 7 7.865 0.495 2.802 1.00 0.35 O ATOM 99 CB LEU A 7 10.668 -1.212 2.420 1.00 0.27 C ATOM 100 CG LEU A 7 10.459 -1.343 3.934 1.00 0.45 C ATOM 101 CD1 LEU A 7 11.427 -2.366 4.505 1.00 0.69 C ATOM 102 CD2 LEU A 7 10.656 -0.002 4.630 1.00 0.68 C ATOM 103 H LEU A 7 10.706 -0.746 -0.097 1.00 0.15 H ATOM 104 HA LEU A 7 8.687 -1.625 1.705 1.00 0.31 H ATOM 105 HB2 LEU A 7 11.053 -2.152 2.054 1.00 0.25 H ATOM 106 HB3 LEU A 7 11.415 -0.450 2.251 1.00 0.27 H ATOM 107 HG LEU A 7 9.452 -1.682 4.132 1.00 0.66 H ATOM 108 HD11 LEU A 7 11.260 -3.322 4.030 1.00 1.29 H ATOM 109 HD12 LEU A 7 11.268 -2.459 5.569 1.00 1.26 H ATOM 110 HD13 LEU A 7 12.441 -2.044 4.319 1.00 1.30 H ATOM 111 HD21 LEU A 7 10.500 -0.120 5.692 1.00 1.29 H ATOM 112 HD22 LEU A 7 9.949 0.713 4.240 1.00 1.26 H ATOM 113 HD23 LEU A 7 11.662 0.352 4.451 1.00 1.28 H ATOM 114 N LEU A 8 9.396 1.572 1.583 1.00 0.18 N ATOM 115 CA LEU A 8 8.845 2.882 1.898 1.00 0.20 C ATOM 116 C LEU A 8 7.830 3.299 0.844 1.00 0.18 C ATOM 117 O LEU A 8 6.662 3.541 1.152 1.00 0.16 O ATOM 118 CB LEU A 8 9.949 3.929 2.007 1.00 0.33 C ATOM 119 CG LEU A 8 9.449 5.351 2.264 1.00 0.36 C ATOM 120 CD1 LEU A 8 8.621 5.409 3.538 1.00 0.61 C ATOM 121 CD2 LEU A 8 10.615 6.322 2.333 1.00 0.66 C ATOM 122 H LEU A 8 10.201 1.502 1.021 1.00 0.19 H ATOM 123 HA LEU A 8 8.339 2.809 2.848 1.00 0.21 H ATOM 124 HB2 LEU A 8 10.609 3.647 2.815 1.00 0.39 H ATOM 125 HB3 LEU A 8 10.511 3.930 1.086 1.00 0.37 H ATOM 126 HG LEU A 8 8.813 5.648 1.446 1.00 0.53 H ATOM 127 HD11 LEU A 8 9.190 4.997 4.359 1.00 1.23 H ATOM 128 HD12 LEU A 8 7.712 4.839 3.402 1.00 1.28 H ATOM 129 HD13 LEU A 8 8.369 6.436 3.755 1.00 1.21 H ATOM 130 HD21 LEU A 8 11.156 6.304 1.399 1.00 1.30 H ATOM 131 HD22 LEU A 8 11.275 6.033 3.138 1.00 1.24 H ATOM 132 HD23 LEU A 8 10.242 7.319 2.514 1.00 1.28 H ATOM 133 N ALA A 9 8.280 3.359 -0.401 1.00 0.28 N ATOM 134 CA ALA A 9 7.433 3.768 -1.512 1.00 0.38 C ATOM 135 C ALA A 9 6.219 2.858 -1.633 1.00 0.38 C ATOM 136 O ALA A 9 5.110 3.305 -1.928 1.00 0.44 O ATOM 137 CB ALA A 9 8.238 3.748 -2.799 1.00 0.51 C ATOM 138 H ALA A 9 9.213 3.118 -0.580 1.00 0.32 H ATOM 139 HA ALA A 9 7.104 4.781 -1.333 1.00 0.40 H ATOM 140 HB1 ALA A 9 7.612 4.053 -3.623 1.00 1.20 H ATOM 141 HB2 ALA A 9 8.605 2.747 -2.974 1.00 1.12 H ATOM 142 HB3 ALA A 9 9.075 4.426 -2.711 1.00 1.13 H ATOM 143 N GLY A 10 6.437 1.581 -1.374 1.00 0.35 N ATOM 144 CA GLY A 10 5.380 0.608 -1.490 1.00 0.45 C ATOM 145 C GLY A 10 4.404 0.673 -0.337 1.00 0.41 C ATOM 146 O GLY A 10 3.195 0.604 -0.541 1.00 0.52 O ATOM 147 H GLY A 10 7.329 1.296 -1.093 1.00 0.31 H ATOM 148 HA2 GLY A 10 4.850 0.786 -2.412 1.00 0.55 H ATOM 149 HA3 GLY A 10 5.817 -0.379 -1.523 1.00 0.48 H ATOM 150 N LEU A 11 4.918 0.844 0.878 1.00 0.29 N ATOM 151 CA LEU A 11 4.069 0.920 2.069 1.00 0.31 C ATOM 152 C LEU A 11 3.126 2.113 2.002 1.00 0.23 C ATOM 153 O LEU A 11 2.229 2.262 2.828 1.00 0.22 O ATOM 154 CB LEU A 11 4.923 0.999 3.333 1.00 0.35 C ATOM 155 CG LEU A 11 4.993 -0.296 4.145 1.00 0.53 C ATOM 156 CD1 LEU A 11 3.647 -0.605 4.778 1.00 0.65 C ATOM 157 CD2 LEU A 11 5.440 -1.447 3.261 1.00 0.57 C ATOM 158 H LEU A 11 5.890 0.918 0.981 1.00 0.23 H ATOM 159 HA LEU A 11 3.478 0.017 2.107 1.00 0.43 H ATOM 160 HB2 LEU A 11 5.928 1.274 3.044 1.00 0.28 H ATOM 161 HB3 LEU A 11 4.526 1.776 3.965 1.00 0.37 H ATOM 162 HG LEU A 11 5.717 -0.179 4.937 1.00 0.59 H ATOM 163 HD11 LEU A 11 2.902 -0.724 4.005 1.00 1.25 H ATOM 164 HD12 LEU A 11 3.361 0.206 5.432 1.00 1.20 H ATOM 165 HD13 LEU A 11 3.720 -1.518 5.351 1.00 1.22 H ATOM 166 HD21 LEU A 11 6.442 -1.257 2.905 1.00 1.16 H ATOM 167 HD22 LEU A 11 4.770 -1.532 2.418 1.00 1.17 H ATOM 168 HD23 LEU A 11 5.426 -2.364 3.828 1.00 1.19 H ATOM 169 N MET A 12 3.341 2.957 1.016 1.00 0.21 N ATOM 170 CA MET A 12 2.473 4.091 0.777 1.00 0.18 C ATOM 171 C MET A 12 1.336 3.729 -0.178 1.00 0.17 C ATOM 172 O MET A 12 0.165 3.732 0.203 1.00 0.17 O ATOM 173 CB MET A 12 3.288 5.233 0.186 1.00 0.21 C ATOM 174 CG MET A 12 4.352 5.766 1.134 1.00 0.24 C ATOM 175 SD MET A 12 3.654 6.356 2.691 1.00 1.46 S ATOM 176 CE MET A 12 5.139 6.864 3.551 1.00 2.10 C ATOM 177 H MET A 12 4.120 2.813 0.435 1.00 0.22 H ATOM 178 HA MET A 12 2.058 4.405 1.722 1.00 0.19 H ATOM 179 HB2 MET A 12 3.778 4.871 -0.713 1.00 0.23 H ATOM 180 HB3 MET A 12 2.623 6.042 -0.074 1.00 0.22 H ATOM 181 HG2 MET A 12 5.056 4.975 1.351 1.00 0.82 H ATOM 182 HG3 MET A 12 4.868 6.584 0.655 1.00 0.85 H ATOM 183 HE1 MET A 12 5.650 7.616 2.974 1.00 2.56 H ATOM 184 HE2 MET A 12 5.787 6.011 3.686 1.00 2.58 H ATOM 185 HE3 MET A 12 4.874 7.269 4.515 1.00 2.52 H ATOM 186 N SER A 13 1.696 3.359 -1.401 1.00 0.19 N ATOM 187 CA SER A 13 0.717 3.181 -2.470 1.00 0.22 C ATOM 188 C SER A 13 0.072 1.794 -2.456 1.00 0.19 C ATOM 189 O SER A 13 -1.067 1.632 -2.897 1.00 0.22 O ATOM 190 CB SER A 13 1.386 3.427 -3.822 1.00 0.32 C ATOM 191 OG SER A 13 1.984 4.712 -3.865 1.00 1.27 O ATOM 192 H SER A 13 2.648 3.213 -1.596 1.00 0.22 H ATOM 193 HA SER A 13 -0.057 3.920 -2.331 1.00 0.24 H ATOM 194 HB2 SER A 13 2.152 2.682 -3.982 1.00 1.07 H ATOM 195 HB3 SER A 13 0.648 3.359 -4.606 1.00 1.01 H ATOM 196 HG SER A 13 1.525 5.297 -3.248 1.00 1.76 H ATOM 197 N LEU A 14 0.787 0.803 -1.944 1.00 0.21 N ATOM 198 CA LEU A 14 0.313 -0.579 -1.982 1.00 0.24 C ATOM 199 C LEU A 14 -0.919 -0.797 -1.097 1.00 0.21 C ATOM 200 O LEU A 14 -1.918 -1.335 -1.571 1.00 0.27 O ATOM 201 CB LEU A 14 1.432 -1.554 -1.601 1.00 0.30 C ATOM 202 CG LEU A 14 2.429 -1.900 -2.720 1.00 0.37 C ATOM 203 CD1 LEU A 14 1.765 -2.772 -3.774 1.00 0.95 C ATOM 204 CD2 LEU A 14 2.985 -0.638 -3.366 1.00 0.83 C ATOM 205 H LEU A 14 1.654 0.996 -1.523 1.00 0.24 H ATOM 206 HA LEU A 14 0.024 -0.781 -3.002 1.00 0.27 H ATOM 207 HB2 LEU A 14 1.986 -1.125 -0.779 1.00 0.29 H ATOM 208 HB3 LEU A 14 0.978 -2.469 -1.262 1.00 0.34 H ATOM 209 HG LEU A 14 3.256 -2.454 -2.300 1.00 0.79 H ATOM 210 HD11 LEU A 14 1.421 -3.688 -3.319 1.00 1.52 H ATOM 211 HD12 LEU A 14 2.479 -3.003 -4.551 1.00 1.53 H ATOM 212 HD13 LEU A 14 0.926 -2.246 -4.202 1.00 1.53 H ATOM 213 HD21 LEU A 14 3.151 0.113 -2.602 1.00 1.40 H ATOM 214 HD22 LEU A 14 2.280 -0.263 -4.090 1.00 1.45 H ATOM 215 HD23 LEU A 14 3.921 -0.864 -3.853 1.00 1.47 H ATOM 216 N PRO A 15 -0.910 -0.372 0.185 1.00 0.20 N ATOM 217 CA PRO A 15 -2.067 -0.565 1.043 1.00 0.23 C ATOM 218 C PRO A 15 -3.142 0.451 0.705 1.00 0.20 C ATOM 219 O PRO A 15 -4.328 0.213 0.903 1.00 0.30 O ATOM 220 CB PRO A 15 -1.516 -0.349 2.449 1.00 0.32 C ATOM 221 CG PRO A 15 -0.359 0.572 2.277 1.00 0.31 C ATOM 222 CD PRO A 15 0.170 0.362 0.879 1.00 0.24 C ATOM 223 HA PRO A 15 -2.470 -1.564 0.950 1.00 0.26 H ATOM 224 HB2 PRO A 15 -2.280 0.090 3.073 1.00 0.36 H ATOM 225 HB3 PRO A 15 -1.204 -1.296 2.865 1.00 0.39 H ATOM 226 HG2 PRO A 15 -0.688 1.595 2.399 1.00 0.34 H ATOM 227 HG3 PRO A 15 0.405 0.337 3.003 1.00 0.40 H ATOM 228 HD2 PRO A 15 0.342 1.321 0.402 1.00 0.25 H ATOM 229 HD3 PRO A 15 1.080 -0.219 0.902 1.00 0.32 H ATOM 230 N PHE A 16 -2.697 1.575 0.156 1.00 0.16 N ATOM 231 CA PHE A 16 -3.583 2.632 -0.291 1.00 0.22 C ATOM 232 C PHE A 16 -4.528 2.112 -1.366 1.00 0.22 C ATOM 233 O PHE A 16 -5.749 2.191 -1.232 1.00 0.32 O ATOM 234 CB PHE A 16 -2.743 3.777 -0.852 1.00 0.29 C ATOM 235 CG PHE A 16 -3.464 5.082 -0.919 1.00 0.43 C ATOM 236 CD1 PHE A 16 -4.127 5.441 -2.073 1.00 0.57 C ATOM 237 CD2 PHE A 16 -3.477 5.944 0.162 1.00 0.76 C ATOM 238 CE1 PHE A 16 -4.797 6.644 -2.155 1.00 0.80 C ATOM 239 CE2 PHE A 16 -4.145 7.149 0.091 1.00 1.01 C ATOM 240 CZ PHE A 16 -4.796 7.509 -1.017 1.00 0.98 C ATOM 241 H PHE A 16 -1.728 1.698 0.056 1.00 0.17 H ATOM 242 HA PHE A 16 -4.157 2.983 0.552 1.00 0.30 H ATOM 243 HB2 PHE A 16 -1.872 3.914 -0.228 1.00 0.45 H ATOM 244 HB3 PHE A 16 -2.424 3.521 -1.852 1.00 0.40 H ATOM 245 HD1 PHE A 16 -4.117 4.763 -2.917 1.00 0.71 H ATOM 246 HD2 PHE A 16 -2.960 5.666 1.067 1.00 0.91 H ATOM 247 HE1 PHE A 16 -5.314 6.914 -3.064 1.00 0.97 H ATOM 248 HE2 PHE A 16 -4.149 7.815 0.940 1.00 1.32 H ATOM 249 HZ PHE A 16 -5.317 8.451 -1.054 1.00 1.21 H ATOM 250 N LEU A 17 -3.940 1.561 -2.423 1.00 0.22 N ATOM 251 CA LEU A 17 -4.693 1.044 -3.555 1.00 0.33 C ATOM 252 C LEU A 17 -5.633 -0.068 -3.099 1.00 0.33 C ATOM 253 O LEU A 17 -6.839 -0.008 -3.332 1.00 0.44 O ATOM 254 CB LEU A 17 -3.716 0.521 -4.623 1.00 0.45 C ATOM 255 CG LEU A 17 -4.228 0.488 -6.075 1.00 1.03 C ATOM 256 CD1 LEU A 17 -5.384 -0.485 -6.243 1.00 1.93 C ATOM 257 CD2 LEU A 17 -4.635 1.882 -6.531 1.00 1.50 C ATOM 258 H LEU A 17 -2.961 1.504 -2.441 1.00 0.22 H ATOM 259 HA LEU A 17 -5.276 1.851 -3.969 1.00 0.43 H ATOM 260 HB2 LEU A 17 -2.832 1.141 -4.597 1.00 0.63 H ATOM 261 HB3 LEU A 17 -3.430 -0.483 -4.348 1.00 0.90 H ATOM 262 HG LEU A 17 -3.426 0.155 -6.718 1.00 1.42 H ATOM 263 HD11 LEU A 17 -6.198 -0.191 -5.598 1.00 2.42 H ATOM 264 HD12 LEU A 17 -5.058 -1.480 -5.980 1.00 2.41 H ATOM 265 HD13 LEU A 17 -5.717 -0.474 -7.270 1.00 2.41 H ATOM 266 HD21 LEU A 17 -4.925 1.850 -7.571 1.00 1.95 H ATOM 267 HD22 LEU A 17 -3.804 2.560 -6.409 1.00 2.00 H ATOM 268 HD23 LEU A 17 -5.470 2.225 -5.938 1.00 1.99 H ATOM 269 N GLN A 18 -5.075 -1.062 -2.423 1.00 0.30 N ATOM 270 CA GLN A 18 -5.838 -2.230 -2.005 1.00 0.40 C ATOM 271 C GLN A 18 -6.953 -1.870 -1.028 1.00 0.46 C ATOM 272 O GLN A 18 -8.031 -2.464 -1.073 1.00 0.56 O ATOM 273 CB GLN A 18 -4.906 -3.268 -1.380 1.00 0.48 C ATOM 274 CG GLN A 18 -4.289 -4.231 -2.387 1.00 0.66 C ATOM 275 CD GLN A 18 -3.750 -3.546 -3.628 1.00 1.28 C ATOM 276 OE1 GLN A 18 -4.458 -3.389 -4.620 1.00 2.28 O ATOM 277 NE2 GLN A 18 -2.496 -3.131 -3.582 1.00 1.17 N ATOM 278 H GLN A 18 -4.119 -1.015 -2.204 1.00 0.27 H ATOM 279 HA GLN A 18 -6.285 -2.658 -2.890 1.00 0.47 H ATOM 280 HB2 GLN A 18 -4.105 -2.754 -0.870 1.00 0.54 H ATOM 281 HB3 GLN A 18 -5.464 -3.847 -0.660 1.00 0.64 H ATOM 282 HG2 GLN A 18 -3.475 -4.749 -1.908 1.00 1.02 H ATOM 283 HG3 GLN A 18 -5.041 -4.946 -2.687 1.00 1.38 H ATOM 284 HE21 GLN A 18 -1.984 -3.284 -2.757 1.00 0.85 H ATOM 285 HE22 GLN A 18 -2.127 -2.682 -4.373 1.00 1.83 H ATOM 286 N HIS A 19 -6.706 -0.900 -0.155 1.00 0.46 N ATOM 287 CA HIS A 19 -7.698 -0.526 0.847 1.00 0.61 C ATOM 288 C HIS A 19 -8.885 0.163 0.195 1.00 0.67 C ATOM 289 O HIS A 19 -10.026 -0.232 0.407 1.00 0.82 O ATOM 290 CB HIS A 19 -7.099 0.395 1.911 1.00 0.71 C ATOM 291 CG HIS A 19 -7.887 0.444 3.188 1.00 0.90 C ATOM 292 ND1 HIS A 19 -9.217 0.820 3.258 1.00 1.24 N ATOM 293 CD2 HIS A 19 -7.521 0.148 4.458 1.00 1.01 C ATOM 294 CE1 HIS A 19 -9.624 0.753 4.510 1.00 1.42 C ATOM 295 NE2 HIS A 19 -8.618 0.348 5.256 1.00 1.29 N ATOM 296 H HIS A 19 -5.842 -0.433 -0.179 1.00 0.42 H ATOM 297 HA HIS A 19 -8.044 -1.431 1.322 1.00 0.67 H ATOM 298 HB2 HIS A 19 -6.102 0.055 2.149 1.00 0.75 H ATOM 299 HB3 HIS A 19 -7.045 1.399 1.515 1.00 0.79 H ATOM 300 HD1 HIS A 19 -9.788 1.090 2.498 1.00 1.42 H ATOM 301 HD2 HIS A 19 -6.546 -0.180 4.783 1.00 1.06 H ATOM 302 HE1 HIS A 19 -10.615 0.994 4.864 1.00 1.72 H ATOM 303 HE2 HIS A 19 -8.684 0.097 6.203 1.00 1.48 H ATOM 304 N LYS A 20 -8.611 1.176 -0.621 1.00 0.65 N ATOM 305 CA LYS A 20 -9.679 1.974 -1.218 1.00 0.81 C ATOM 306 C LYS A 20 -10.359 1.198 -2.339 1.00 0.82 C ATOM 307 O LYS A 20 -11.408 1.596 -2.845 1.00 0.98 O ATOM 308 CB LYS A 20 -9.142 3.315 -1.732 1.00 0.97 C ATOM 309 CG LYS A 20 -8.163 3.193 -2.887 1.00 0.98 C ATOM 310 CD LYS A 20 -7.587 4.551 -3.260 1.00 1.26 C ATOM 311 CE LYS A 20 -6.805 4.498 -4.562 1.00 1.81 C ATOM 312 NZ LYS A 20 -7.687 4.264 -5.737 1.00 2.38 N ATOM 313 H LYS A 20 -7.676 1.381 -0.840 1.00 0.60 H ATOM 314 HA LYS A 20 -10.406 2.166 -0.447 1.00 0.91 H ATOM 315 HB2 LYS A 20 -9.975 3.917 -2.061 1.00 1.52 H ATOM 316 HB3 LYS A 20 -8.643 3.822 -0.920 1.00 1.46 H ATOM 317 HG2 LYS A 20 -7.356 2.537 -2.590 1.00 1.41 H ATOM 318 HG3 LYS A 20 -8.677 2.778 -3.742 1.00 1.49 H ATOM 319 HD2 LYS A 20 -8.395 5.259 -3.367 1.00 1.62 H ATOM 320 HD3 LYS A 20 -6.928 4.876 -2.469 1.00 1.69 H ATOM 321 HE2 LYS A 20 -6.289 5.438 -4.694 1.00 2.31 H ATOM 322 HE3 LYS A 20 -6.082 3.700 -4.499 1.00 2.26 H ATOM 323 HZ1 LYS A 20 -7.146 4.277 -6.580 1.00 2.71 H ATOM 324 HZ2 LYS A 20 -8.384 4.979 -5.793 1.00 2.79 H ATOM 325 HZ3 LYS A 20 -8.142 3.377 -5.658 1.00 2.74 H ATOM 326 N LEU A 21 -9.746 0.090 -2.717 1.00 0.74 N ATOM 327 CA LEU A 21 -10.312 -0.803 -3.706 1.00 0.86 C ATOM 328 C LEU A 21 -11.508 -1.533 -3.099 1.00 0.96 C ATOM 329 O LEU A 21 -12.558 -1.665 -3.727 1.00 1.14 O ATOM 330 CB LEU A 21 -9.237 -1.800 -4.158 1.00 0.84 C ATOM 331 CG LEU A 21 -9.331 -2.296 -5.609 1.00 1.10 C ATOM 332 CD1 LEU A 21 -10.597 -3.105 -5.836 1.00 1.65 C ATOM 333 CD2 LEU A 21 -9.266 -1.123 -6.575 1.00 1.80 C ATOM 334 H LEU A 21 -8.877 -0.131 -2.322 1.00 0.66 H ATOM 335 HA LEU A 21 -10.641 -0.217 -4.549 1.00 0.99 H ATOM 336 HB2 LEU A 21 -8.273 -1.329 -4.023 1.00 0.79 H ATOM 337 HB3 LEU A 21 -9.286 -2.660 -3.506 1.00 0.80 H ATOM 338 HG LEU A 21 -8.489 -2.940 -5.813 1.00 1.61 H ATOM 339 HD11 LEU A 21 -10.638 -3.428 -6.866 1.00 2.13 H ATOM 340 HD12 LEU A 21 -11.459 -2.493 -5.616 1.00 2.12 H ATOM 341 HD13 LEU A 21 -10.592 -3.968 -5.188 1.00 2.18 H ATOM 342 HD21 LEU A 21 -8.358 -0.564 -6.399 1.00 2.31 H ATOM 343 HD22 LEU A 21 -10.120 -0.482 -6.426 1.00 2.31 H ATOM 344 HD23 LEU A 21 -9.268 -1.492 -7.589 1.00 2.27 H ATOM 345 N THR A 22 -11.347 -1.979 -1.862 1.00 0.92 N ATOM 346 CA THR A 22 -12.396 -2.711 -1.174 1.00 1.10 C ATOM 347 C THR A 22 -13.284 -1.779 -0.349 1.00 1.19 C ATOM 348 O THR A 22 -14.489 -2.006 -0.226 1.00 1.44 O ATOM 349 CB THR A 22 -11.794 -3.798 -0.266 1.00 1.19 C ATOM 350 OG1 THR A 22 -10.744 -3.243 0.540 1.00 1.81 O ATOM 351 CG2 THR A 22 -11.246 -4.949 -1.092 1.00 1.51 C ATOM 352 H THR A 22 -10.499 -1.813 -1.397 1.00 0.84 H ATOM 353 HA THR A 22 -13.004 -3.196 -1.922 1.00 1.23 H ATOM 354 HB THR A 22 -12.572 -4.177 0.379 1.00 1.62 H ATOM 355 HG1 THR A 22 -11.128 -2.830 1.324 1.00 2.30 H ATOM 356 HG21 THR A 22 -12.047 -5.399 -1.661 1.00 1.97 H ATOM 357 HG22 THR A 22 -10.813 -5.689 -0.435 1.00 2.04 H ATOM 358 HG23 THR A 22 -10.489 -4.579 -1.768 1.00 1.95 H ATOM 359 N ASN A 23 -12.685 -0.735 0.214 1.00 1.13 N ATOM 360 CA ASN A 23 -13.419 0.234 1.021 1.00 1.33 C ATOM 361 C ASN A 23 -12.579 1.486 1.240 1.00 1.94 C ATOM 362 O ASN A 23 -11.680 1.463 2.106 1.00 2.64 O ATOM 363 CB ASN A 23 -13.816 -0.371 2.371 1.00 1.97 C ATOM 364 CG ASN A 23 -14.704 0.555 3.180 1.00 2.54 C ATOM 365 OD1 ASN A 23 -14.224 1.365 3.973 1.00 3.05 O ATOM 366 ND2 ASN A 23 -16.008 0.437 2.991 1.00 3.13 N ATOM 367 OXT ASN A 23 -12.814 2.489 0.536 1.00 2.58 O ATOM 368 H ASN A 23 -11.718 -0.605 0.083 1.00 1.07 H ATOM 369 HA ASN A 23 -14.313 0.504 0.480 1.00 1.77 H ATOM 370 HB2 ASN A 23 -14.349 -1.295 2.202 1.00 2.48 H ATOM 371 HB3 ASN A 23 -12.923 -0.576 2.943 1.00 2.44 H ATOM 372 HD21 ASN A 23 -16.322 -0.232 2.348 1.00 3.26 H ATOM 373 HD22 ASN A 23 -16.607 1.023 3.502 1.00 3.71 H TER 374 ASN A 23 ENDMDL MODEL 6 ATOM 1 N VAL A 1 5.921 -7.331 2.125 1.00 1.27 N ATOM 2 CA VAL A 1 5.669 -6.273 1.123 1.00 1.06 C ATOM 3 C VAL A 1 6.620 -5.101 1.357 1.00 0.70 C ATOM 4 O VAL A 1 6.285 -3.941 1.138 1.00 1.03 O ATOM 5 CB VAL A 1 4.192 -5.794 1.187 1.00 1.23 C ATOM 6 CG1 VAL A 1 3.841 -4.854 0.038 1.00 1.80 C ATOM 7 CG2 VAL A 1 3.245 -6.985 1.200 1.00 1.58 C ATOM 8 H1 VAL A 1 5.282 -8.090 1.992 1.00 1.67 H ATOM 9 H2 VAL A 1 5.800 -6.968 3.045 1.00 1.64 H ATOM 10 H3 VAL A 1 6.853 -7.676 2.033 1.00 1.65 H ATOM 11 HA VAL A 1 5.864 -6.681 0.145 1.00 1.35 H ATOM 12 HB VAL A 1 4.059 -5.253 2.111 1.00 1.79 H ATOM 13 HG11 VAL A 1 4.435 -3.954 0.115 1.00 2.29 H ATOM 14 HG12 VAL A 1 2.793 -4.597 0.090 1.00 2.21 H ATOM 15 HG13 VAL A 1 4.047 -5.342 -0.901 1.00 2.30 H ATOM 16 HG21 VAL A 1 3.368 -7.553 0.288 1.00 2.05 H ATOM 17 HG22 VAL A 1 2.227 -6.633 1.269 1.00 2.00 H ATOM 18 HG23 VAL A 1 3.468 -7.614 2.048 1.00 2.09 H ATOM 19 N LEU A 2 7.828 -5.411 1.793 1.00 0.51 N ATOM 20 CA LEU A 2 8.794 -4.366 2.103 1.00 0.77 C ATOM 21 C LEU A 2 10.235 -4.861 1.978 1.00 0.48 C ATOM 22 O LEU A 2 10.870 -5.280 2.945 1.00 0.60 O ATOM 23 CB LEU A 2 8.527 -3.759 3.481 1.00 1.37 C ATOM 24 CG LEU A 2 8.694 -4.681 4.698 1.00 2.23 C ATOM 25 CD1 LEU A 2 8.933 -3.856 5.952 1.00 3.06 C ATOM 26 CD2 LEU A 2 7.468 -5.559 4.886 1.00 2.69 C ATOM 27 H LEU A 2 8.081 -6.353 1.885 1.00 0.74 H ATOM 28 HA LEU A 2 8.653 -3.588 1.366 1.00 1.13 H ATOM 29 HB2 LEU A 2 9.184 -2.917 3.602 1.00 1.34 H ATOM 30 HB3 LEU A 2 7.513 -3.396 3.473 1.00 1.54 H ATOM 31 HG LEU A 2 9.551 -5.322 4.546 1.00 2.48 H ATOM 32 HD11 LEU A 2 8.094 -3.197 6.115 1.00 3.41 H ATOM 33 HD12 LEU A 2 9.833 -3.270 5.831 1.00 3.47 H ATOM 34 HD13 LEU A 2 9.044 -4.514 6.801 1.00 3.48 H ATOM 35 HD21 LEU A 2 7.294 -6.131 3.987 1.00 3.03 H ATOM 36 HD22 LEU A 2 6.608 -4.938 5.090 1.00 3.01 H ATOM 37 HD23 LEU A 2 7.631 -6.232 5.715 1.00 3.05 H ATOM 38 N PRO A 3 10.747 -4.824 0.751 1.00 0.32 N ATOM 39 CA PRO A 3 12.108 -5.239 0.416 1.00 0.25 C ATOM 40 C PRO A 3 13.147 -4.154 0.717 1.00 0.28 C ATOM 41 O PRO A 3 14.119 -4.400 1.427 1.00 0.49 O ATOM 42 CB PRO A 3 12.027 -5.501 -1.101 1.00 0.45 C ATOM 43 CG PRO A 3 10.586 -5.311 -1.471 1.00 0.63 C ATOM 44 CD PRO A 3 10.019 -4.398 -0.427 1.00 0.54 C ATOM 45 HA PRO A 3 12.381 -6.150 0.927 1.00 0.36 H ATOM 46 HB2 PRO A 3 12.659 -4.796 -1.620 1.00 0.67 H ATOM 47 HB3 PRO A 3 12.356 -6.506 -1.313 1.00 0.55 H ATOM 48 HG2 PRO A 3 10.513 -4.859 -2.449 1.00 0.89 H ATOM 49 HG3 PRO A 3 10.074 -6.263 -1.457 1.00 0.97 H ATOM 50 HD2 PRO A 3 10.234 -3.367 -0.660 1.00 0.65 H ATOM 51 HD3 PRO A 3 8.955 -4.551 -0.293 1.00 0.82 H ATOM 52 N ALA A 4 12.915 -2.948 0.194 1.00 0.18 N ATOM 53 CA ALA A 4 13.823 -1.819 0.405 1.00 0.22 C ATOM 54 C ALA A 4 13.162 -0.510 -0.024 1.00 0.19 C ATOM 55 O ALA A 4 12.642 0.241 0.805 1.00 0.21 O ATOM 56 CB ALA A 4 15.130 -2.031 -0.349 1.00 0.30 C ATOM 57 H ALA A 4 12.119 -2.816 -0.352 1.00 0.21 H ATOM 58 HA ALA A 4 14.048 -1.767 1.460 1.00 0.27 H ATOM 59 HB1 ALA A 4 14.924 -2.107 -1.405 1.00 1.08 H ATOM 60 HB2 ALA A 4 15.601 -2.940 -0.007 1.00 1.06 H ATOM 61 HB3 ALA A 4 15.788 -1.194 -0.171 1.00 1.07 H ATOM 62 N LEU A 5 13.157 -0.239 -1.320 1.00 0.23 N ATOM 63 CA LEU A 5 12.458 0.930 -1.831 1.00 0.27 C ATOM 64 C LEU A 5 10.941 0.733 -1.740 1.00 0.24 C ATOM 65 O LEU A 5 10.239 1.630 -1.278 1.00 0.26 O ATOM 66 CB LEU A 5 12.892 1.264 -3.262 1.00 0.41 C ATOM 67 CG LEU A 5 14.355 1.687 -3.416 1.00 1.24 C ATOM 68 CD1 LEU A 5 14.663 2.020 -4.866 1.00 1.89 C ATOM 69 CD2 LEU A 5 14.667 2.875 -2.521 1.00 2.00 C ATOM 70 H LEU A 5 13.635 -0.827 -1.944 1.00 0.28 H ATOM 71 HA LEU A 5 12.723 1.759 -1.191 1.00 0.29 H ATOM 72 HB2 LEU A 5 12.726 0.397 -3.877 1.00 0.90 H ATOM 73 HB3 LEU A 5 12.269 2.068 -3.625 1.00 0.93 H ATOM 74 HG LEU A 5 14.993 0.867 -3.120 1.00 1.99 H ATOM 75 HD11 LEU A 5 15.697 2.318 -4.955 1.00 2.35 H ATOM 76 HD12 LEU A 5 14.026 2.829 -5.194 1.00 2.40 H ATOM 77 HD13 LEU A 5 14.485 1.151 -5.481 1.00 2.34 H ATOM 78 HD21 LEU A 5 13.998 3.690 -2.755 1.00 2.46 H ATOM 79 HD22 LEU A 5 15.688 3.189 -2.684 1.00 2.45 H ATOM 80 HD23 LEU A 5 14.541 2.590 -1.487 1.00 2.53 H ATOM 81 N PRO A 6 10.397 -0.444 -2.146 1.00 0.27 N ATOM 82 CA PRO A 6 8.978 -0.757 -1.937 1.00 0.31 C ATOM 83 C PRO A 6 8.629 -0.861 -0.450 1.00 0.27 C ATOM 84 O PRO A 6 7.469 -0.998 -0.085 1.00 0.36 O ATOM 85 CB PRO A 6 8.774 -2.103 -2.643 1.00 0.39 C ATOM 86 CG PRO A 6 9.942 -2.240 -3.555 1.00 0.40 C ATOM 87 CD PRO A 6 11.076 -1.533 -2.874 1.00 0.32 C ATOM 88 HA PRO A 6 8.344 -0.011 -2.394 1.00 0.37 H ATOM 89 HB2 PRO A 6 8.747 -2.897 -1.912 1.00 0.39 H ATOM 90 HB3 PRO A 6 7.846 -2.084 -3.194 1.00 0.49 H ATOM 91 HG2 PRO A 6 10.180 -3.284 -3.695 1.00 0.42 H ATOM 92 HG3 PRO A 6 9.726 -1.773 -4.504 1.00 0.48 H ATOM 93 HD2 PRO A 6 11.584 -2.197 -2.191 1.00 0.30 H ATOM 94 HD3 PRO A 6 11.765 -1.140 -3.602 1.00 0.40 H ATOM 95 N LEU A 7 9.644 -0.812 0.406 1.00 0.19 N ATOM 96 CA LEU A 7 9.417 -0.771 1.843 1.00 0.23 C ATOM 97 C LEU A 7 8.752 0.546 2.214 1.00 0.24 C ATOM 98 O LEU A 7 7.746 0.567 2.912 1.00 0.35 O ATOM 99 CB LEU A 7 10.740 -0.962 2.599 1.00 0.27 C ATOM 100 CG LEU A 7 10.673 -0.908 4.131 1.00 0.45 C ATOM 101 CD1 LEU A 7 11.788 -1.751 4.722 1.00 0.69 C ATOM 102 CD2 LEU A 7 10.794 0.524 4.636 1.00 0.68 C ATOM 103 H LEU A 7 10.559 -0.783 0.064 1.00 0.15 H ATOM 104 HA LEU A 7 8.746 -1.580 2.093 1.00 0.31 H ATOM 105 HB2 LEU A 7 11.147 -1.922 2.319 1.00 0.25 H ATOM 106 HB3 LEU A 7 11.426 -0.196 2.268 1.00 0.27 H ATOM 107 HG LEU A 7 9.728 -1.308 4.467 1.00 0.66 H ATOM 108 HD11 LEU A 7 12.742 -1.360 4.405 1.00 1.29 H ATOM 109 HD12 LEU A 7 11.686 -2.771 4.381 1.00 1.26 H ATOM 110 HD13 LEU A 7 11.727 -1.725 5.799 1.00 1.30 H ATOM 111 HD21 LEU A 7 11.732 0.943 4.307 1.00 1.29 H ATOM 112 HD22 LEU A 7 10.756 0.529 5.715 1.00 1.26 H ATOM 113 HD23 LEU A 7 9.978 1.113 4.245 1.00 1.28 H ATOM 114 N LEU A 8 9.309 1.648 1.741 1.00 0.18 N ATOM 115 CA LEU A 8 8.696 2.947 1.985 1.00 0.20 C ATOM 116 C LEU A 8 7.730 3.292 0.863 1.00 0.18 C ATOM 117 O LEU A 8 6.535 3.460 1.095 1.00 0.16 O ATOM 118 CB LEU A 8 9.756 4.038 2.126 1.00 0.33 C ATOM 119 CG LEU A 8 9.202 5.449 2.331 1.00 0.36 C ATOM 120 CD1 LEU A 8 8.357 5.523 3.596 1.00 0.61 C ATOM 121 CD2 LEU A 8 10.332 6.463 2.383 1.00 0.66 C ATOM 122 H LEU A 8 10.143 1.589 1.213 1.00 0.19 H ATOM 123 HA LEU A 8 8.137 2.879 2.906 1.00 0.21 H ATOM 124 HB2 LEU A 8 10.385 3.791 2.969 1.00 0.39 H ATOM 125 HB3 LEU A 8 10.361 4.040 1.233 1.00 0.37 H ATOM 126 HG LEU A 8 8.566 5.698 1.497 1.00 0.53 H ATOM 127 HD11 LEU A 8 8.034 6.542 3.754 1.00 1.23 H ATOM 128 HD12 LEU A 8 8.941 5.193 4.441 1.00 1.28 H ATOM 129 HD13 LEU A 8 7.490 4.887 3.484 1.00 1.21 H ATOM 130 HD21 LEU A 8 10.993 6.226 3.203 1.00 1.30 H ATOM 131 HD22 LEU A 8 9.923 7.453 2.525 1.00 1.24 H ATOM 132 HD23 LEU A 8 10.885 6.433 1.455 1.00 1.28 H ATOM 133 N ALA A 9 8.257 3.369 -0.351 1.00 0.28 N ATOM 134 CA ALA A 9 7.467 3.719 -1.523 1.00 0.38 C ATOM 135 C ALA A 9 6.294 2.765 -1.701 1.00 0.38 C ATOM 136 O ALA A 9 5.172 3.180 -2.001 1.00 0.44 O ATOM 137 CB ALA A 9 8.352 3.696 -2.756 1.00 0.51 C ATOM 138 H ALA A 9 9.214 3.178 -0.465 1.00 0.32 H ATOM 139 HA ALA A 9 7.093 4.723 -1.391 1.00 0.40 H ATOM 140 HB1 ALA A 9 8.749 2.700 -2.893 1.00 1.20 H ATOM 141 HB2 ALA A 9 9.168 4.391 -2.627 1.00 1.12 H ATOM 142 HB3 ALA A 9 7.774 3.976 -3.623 1.00 1.13 H ATOM 143 N GLY A 10 6.563 1.485 -1.496 1.00 0.35 N ATOM 144 CA GLY A 10 5.541 0.476 -1.651 1.00 0.45 C ATOM 145 C GLY A 10 4.488 0.558 -0.569 1.00 0.41 C ATOM 146 O GLY A 10 3.294 0.532 -0.858 1.00 0.52 O ATOM 147 H GLY A 10 7.467 1.225 -1.230 1.00 0.31 H ATOM 148 HA2 GLY A 10 5.069 0.606 -2.610 1.00 0.55 H ATOM 149 HA3 GLY A 10 6.003 -0.499 -1.617 1.00 0.48 H ATOM 150 N LEU A 11 4.926 0.699 0.682 1.00 0.29 N ATOM 151 CA LEU A 11 4.008 0.790 1.818 1.00 0.31 C ATOM 152 C LEU A 11 3.134 2.040 1.739 1.00 0.23 C ATOM 153 O LEU A 11 2.244 2.245 2.566 1.00 0.22 O ATOM 154 CB LEU A 11 4.786 0.787 3.132 1.00 0.35 C ATOM 155 CG LEU A 11 4.850 -0.563 3.854 1.00 0.53 C ATOM 156 CD1 LEU A 11 3.456 -1.039 4.238 1.00 0.65 C ATOM 157 CD2 LEU A 11 5.546 -1.596 2.988 1.00 0.57 C ATOM 158 H LEU A 11 5.894 0.737 0.851 1.00 0.23 H ATOM 159 HA LEU A 11 3.371 -0.083 1.791 1.00 0.43 H ATOM 160 HB2 LEU A 11 5.799 1.101 2.919 1.00 0.28 H ATOM 161 HB3 LEU A 11 4.341 1.507 3.795 1.00 0.37 H ATOM 162 HG LEU A 11 5.422 -0.448 4.761 1.00 0.59 H ATOM 163 HD11 LEU A 11 2.882 -1.231 3.345 1.00 1.25 H ATOM 164 HD12 LEU A 11 2.965 -0.278 4.824 1.00 1.20 H ATOM 165 HD13 LEU A 11 3.533 -1.946 4.818 1.00 1.22 H ATOM 166 HD21 LEU A 11 5.110 -1.586 1.998 1.00 1.16 H ATOM 167 HD22 LEU A 11 5.424 -2.576 3.426 1.00 1.17 H ATOM 168 HD23 LEU A 11 6.600 -1.360 2.920 1.00 1.19 H ATOM 169 N MET A 12 3.395 2.875 0.751 1.00 0.21 N ATOM 170 CA MET A 12 2.573 4.051 0.523 1.00 0.18 C ATOM 171 C MET A 12 1.408 3.724 -0.400 1.00 0.17 C ATOM 172 O MET A 12 0.252 3.711 0.020 1.00 0.17 O ATOM 173 CB MET A 12 3.401 5.161 -0.121 1.00 0.21 C ATOM 174 CG MET A 12 4.520 5.695 0.753 1.00 0.24 C ATOM 175 SD MET A 12 5.488 6.973 -0.076 1.00 1.46 S ATOM 176 CE MET A 12 4.233 8.217 -0.368 1.00 2.10 C ATOM 177 H MET A 12 4.167 2.696 0.167 1.00 0.22 H ATOM 178 HA MET A 12 2.193 4.391 1.474 1.00 0.19 H ATOM 179 HB2 MET A 12 3.840 4.774 -1.032 1.00 0.23 H ATOM 180 HB3 MET A 12 2.744 5.982 -0.371 1.00 0.22 H ATOM 181 HG2 MET A 12 4.091 6.112 1.653 1.00 0.82 H ATOM 182 HG3 MET A 12 5.175 4.877 1.013 1.00 0.85 H ATOM 183 HE1 MET A 12 4.678 9.065 -0.868 1.00 2.56 H ATOM 184 HE2 MET A 12 3.814 8.535 0.574 1.00 2.58 H ATOM 185 HE3 MET A 12 3.452 7.804 -0.989 1.00 2.52 H ATOM 186 N SER A 13 1.729 3.377 -1.635 1.00 0.19 N ATOM 187 CA SER A 13 0.719 3.263 -2.679 1.00 0.22 C ATOM 188 C SER A 13 0.092 1.873 -2.729 1.00 0.19 C ATOM 189 O SER A 13 -1.064 1.724 -3.131 1.00 0.22 O ATOM 190 CB SER A 13 1.343 3.597 -4.032 1.00 0.32 C ATOM 191 OG SER A 13 2.018 4.846 -3.987 1.00 1.27 O ATOM 192 H SER A 13 2.670 3.205 -1.855 1.00 0.22 H ATOM 193 HA SER A 13 -0.059 3.983 -2.468 1.00 0.24 H ATOM 194 HB2 SER A 13 2.054 2.829 -4.298 1.00 1.07 H ATOM 195 HB3 SER A 13 0.569 3.646 -4.784 1.00 1.01 H ATOM 196 HG SER A 13 1.656 5.379 -3.268 1.00 1.76 H ATOM 197 N LEU A 14 0.844 0.865 -2.318 1.00 0.21 N ATOM 198 CA LEU A 14 0.390 -0.513 -2.429 1.00 0.24 C ATOM 199 C LEU A 14 -0.783 -0.803 -1.492 1.00 0.21 C ATOM 200 O LEU A 14 -1.855 -1.167 -1.964 1.00 0.27 O ATOM 201 CB LEU A 14 1.545 -1.496 -2.188 1.00 0.30 C ATOM 202 CG LEU A 14 2.469 -1.751 -3.388 1.00 0.37 C ATOM 203 CD1 LEU A 14 1.755 -2.581 -4.444 1.00 0.95 C ATOM 204 CD2 LEU A 14 2.957 -0.441 -3.993 1.00 0.83 C ATOM 205 H LEU A 14 1.724 1.046 -1.924 1.00 0.24 H ATOM 206 HA LEU A 14 0.040 -0.647 -3.442 1.00 0.27 H ATOM 207 HB2 LEU A 14 2.148 -1.112 -1.379 1.00 0.29 H ATOM 208 HB3 LEU A 14 1.124 -2.438 -1.879 1.00 0.34 H ATOM 209 HG LEU A 14 3.333 -2.308 -3.054 1.00 0.79 H ATOM 210 HD11 LEU A 14 1.435 -3.516 -4.011 1.00 1.52 H ATOM 211 HD12 LEU A 14 2.429 -2.776 -5.266 1.00 1.53 H ATOM 212 HD13 LEU A 14 0.895 -2.039 -4.807 1.00 1.53 H ATOM 213 HD21 LEU A 14 3.332 0.202 -3.208 1.00 1.40 H ATOM 214 HD22 LEU A 14 2.138 0.050 -4.497 1.00 1.45 H ATOM 215 HD23 LEU A 14 3.747 -0.641 -4.700 1.00 1.47 H ATOM 216 N PRO A 15 -0.645 -0.607 -0.164 1.00 0.20 N ATOM 217 CA PRO A 15 -1.711 -0.959 0.755 1.00 0.23 C ATOM 218 C PRO A 15 -2.786 0.114 0.778 1.00 0.20 C ATOM 219 O PRO A 15 -3.907 -0.128 1.205 1.00 0.30 O ATOM 220 CB PRO A 15 -1.000 -1.064 2.099 1.00 0.32 C ATOM 221 CG PRO A 15 0.140 -0.108 2.005 1.00 0.31 C ATOM 222 CD PRO A 15 0.492 0.020 0.541 1.00 0.24 C ATOM 223 HA PRO A 15 -2.156 -1.911 0.501 1.00 0.26 H ATOM 224 HB2 PRO A 15 -1.682 -0.791 2.889 1.00 0.36 H ATOM 225 HB3 PRO A 15 -0.654 -2.076 2.249 1.00 0.39 H ATOM 226 HG2 PRO A 15 -0.159 0.853 2.398 1.00 0.34 H ATOM 227 HG3 PRO A 15 0.984 -0.491 2.560 1.00 0.40 H ATOM 228 HD2 PRO A 15 0.574 1.066 0.272 1.00 0.25 H ATOM 229 HD3 PRO A 15 1.414 -0.500 0.328 1.00 0.32 H ATOM 230 N PHE A 16 -2.430 1.301 0.299 1.00 0.16 N ATOM 231 CA PHE A 16 -3.376 2.394 0.190 1.00 0.22 C ATOM 232 C PHE A 16 -4.447 2.056 -0.839 1.00 0.22 C ATOM 233 O PHE A 16 -5.627 1.947 -0.514 1.00 0.32 O ATOM 234 CB PHE A 16 -2.642 3.665 -0.227 1.00 0.29 C ATOM 235 CG PHE A 16 -3.369 4.921 0.120 1.00 0.43 C ATOM 236 CD1 PHE A 16 -4.074 5.600 -0.851 1.00 0.57 C ATOM 237 CD2 PHE A 16 -3.353 5.419 1.412 1.00 0.76 C ATOM 238 CE1 PHE A 16 -4.751 6.764 -0.548 1.00 0.80 C ATOM 239 CE2 PHE A 16 -4.027 6.582 1.724 1.00 1.01 C ATOM 240 CZ PHE A 16 -4.709 7.255 0.789 1.00 0.98 C ATOM 241 H PHE A 16 -1.498 1.450 0.022 1.00 0.17 H ATOM 242 HA PHE A 16 -3.840 2.545 1.153 1.00 0.30 H ATOM 243 HB2 PHE A 16 -1.681 3.693 0.261 1.00 0.45 H ATOM 244 HB3 PHE A 16 -2.494 3.649 -1.299 1.00 0.40 H ATOM 245 HD1 PHE A 16 -4.089 5.208 -1.860 1.00 0.71 H ATOM 246 HD2 PHE A 16 -2.805 4.887 2.176 1.00 0.91 H ATOM 247 HE1 PHE A 16 -5.298 7.287 -1.317 1.00 0.97 H ATOM 248 HE2 PHE A 16 -4.008 6.963 2.736 1.00 1.32 H ATOM 249 HZ PHE A 16 -5.232 8.162 1.051 1.00 1.21 H ATOM 250 N LEU A 17 -4.002 1.863 -2.075 1.00 0.22 N ATOM 251 CA LEU A 17 -4.884 1.567 -3.195 1.00 0.33 C ATOM 252 C LEU A 17 -5.708 0.312 -2.909 1.00 0.33 C ATOM 253 O LEU A 17 -6.921 0.288 -3.128 1.00 0.44 O ATOM 254 CB LEU A 17 -4.035 1.388 -4.466 1.00 0.45 C ATOM 255 CG LEU A 17 -4.770 1.461 -5.816 1.00 1.03 C ATOM 256 CD1 LEU A 17 -5.587 0.204 -6.079 1.00 1.93 C ATOM 257 CD2 LEU A 17 -5.655 2.698 -5.873 1.00 1.50 C ATOM 258 H LEU A 17 -3.041 1.924 -2.240 1.00 0.22 H ATOM 259 HA LEU A 17 -5.551 2.404 -3.328 1.00 0.43 H ATOM 260 HB2 LEU A 17 -3.270 2.150 -4.464 1.00 0.63 H ATOM 261 HB3 LEU A 17 -3.547 0.425 -4.405 1.00 0.90 H ATOM 262 HG LEU A 17 -4.036 1.545 -6.605 1.00 1.42 H ATOM 263 HD11 LEU A 17 -4.930 -0.652 -6.107 1.00 2.42 H ATOM 264 HD12 LEU A 17 -6.097 0.298 -7.025 1.00 2.41 H ATOM 265 HD13 LEU A 17 -6.313 0.075 -5.290 1.00 2.41 H ATOM 266 HD21 LEU A 17 -6.434 2.618 -5.131 1.00 1.95 H ATOM 267 HD22 LEU A 17 -6.099 2.778 -6.853 1.00 2.00 H ATOM 268 HD23 LEU A 17 -5.059 3.576 -5.675 1.00 1.99 H ATOM 269 N GLN A 18 -5.045 -0.716 -2.394 1.00 0.30 N ATOM 270 CA GLN A 18 -5.699 -1.988 -2.114 1.00 0.40 C ATOM 271 C GLN A 18 -6.697 -1.855 -0.965 1.00 0.46 C ATOM 272 O GLN A 18 -7.728 -2.524 -0.954 1.00 0.56 O ATOM 273 CB GLN A 18 -4.653 -3.057 -1.806 1.00 0.48 C ATOM 274 CG GLN A 18 -3.716 -3.324 -2.972 1.00 0.66 C ATOM 275 CD GLN A 18 -2.546 -4.214 -2.603 1.00 1.28 C ATOM 276 OE1 GLN A 18 -2.658 -5.089 -1.744 1.00 2.28 O ATOM 277 NE2 GLN A 18 -1.413 -3.989 -3.244 1.00 1.17 N ATOM 278 H GLN A 18 -4.088 -0.620 -2.200 1.00 0.27 H ATOM 279 HA GLN A 18 -6.239 -2.278 -3.003 1.00 0.47 H ATOM 280 HB2 GLN A 18 -4.062 -2.735 -0.961 1.00 0.54 H ATOM 281 HB3 GLN A 18 -5.156 -3.981 -1.554 1.00 0.64 H ATOM 282 HG2 GLN A 18 -4.275 -3.804 -3.763 1.00 1.02 H ATOM 283 HG3 GLN A 18 -3.331 -2.381 -3.330 1.00 1.38 H ATOM 284 HE21 GLN A 18 -1.397 -3.268 -3.915 1.00 0.85 H ATOM 285 HE22 GLN A 18 -0.634 -4.543 -3.028 1.00 1.83 H ATOM 286 N HIS A 19 -6.407 -0.973 -0.012 1.00 0.46 N ATOM 287 CA HIS A 19 -7.325 -0.734 1.096 1.00 0.61 C ATOM 288 C HIS A 19 -8.542 0.034 0.600 1.00 0.67 C ATOM 289 O HIS A 19 -9.642 -0.139 1.108 1.00 0.82 O ATOM 290 CB HIS A 19 -6.649 0.054 2.221 1.00 0.71 C ATOM 291 CG HIS A 19 -7.320 -0.092 3.555 1.00 0.90 C ATOM 292 ND1 HIS A 19 -8.632 0.261 3.794 1.00 1.24 N ATOM 293 CD2 HIS A 19 -6.841 -0.566 4.727 1.00 1.01 C ATOM 294 CE1 HIS A 19 -8.927 0.012 5.056 1.00 1.42 C ATOM 295 NE2 HIS A 19 -7.859 -0.491 5.646 1.00 1.29 N ATOM 296 H HIS A 19 -5.558 -0.482 -0.049 1.00 0.42 H ATOM 297 HA HIS A 19 -7.646 -1.693 1.476 1.00 0.67 H ATOM 298 HB2 HIS A 19 -5.631 -0.286 2.324 1.00 0.75 H ATOM 299 HB3 HIS A 19 -6.649 1.102 1.962 1.00 0.79 H ATOM 300 HD1 HIS A 19 -9.265 0.625 3.131 1.00 1.42 H ATOM 301 HD2 HIS A 19 -5.841 -0.933 4.909 1.00 1.06 H ATOM 302 HE1 HIS A 19 -9.882 0.189 5.527 1.00 1.72 H ATOM 303 HE2 HIS A 19 -7.863 -0.945 6.518 1.00 1.48 H ATOM 304 N LYS A 20 -8.338 0.873 -0.409 1.00 0.65 N ATOM 305 CA LYS A 20 -9.429 1.648 -0.989 1.00 0.81 C ATOM 306 C LYS A 20 -10.227 0.766 -1.929 1.00 0.82 C ATOM 307 O LYS A 20 -11.333 1.102 -2.350 1.00 0.98 O ATOM 308 CB LYS A 20 -8.902 2.861 -1.752 1.00 0.97 C ATOM 309 CG LYS A 20 -8.024 3.785 -0.921 1.00 0.98 C ATOM 310 CD LYS A 20 -7.735 5.086 -1.651 1.00 1.26 C ATOM 311 CE LYS A 20 -8.991 5.928 -1.812 1.00 1.81 C ATOM 312 NZ LYS A 20 -8.725 7.179 -2.564 1.00 2.38 N ATOM 313 H LYS A 20 -7.434 0.965 -0.782 1.00 0.60 H ATOM 314 HA LYS A 20 -10.067 1.981 -0.189 1.00 0.91 H ATOM 315 HB2 LYS A 20 -8.324 2.513 -2.590 1.00 1.52 H ATOM 316 HB3 LYS A 20 -9.742 3.431 -2.118 1.00 1.46 H ATOM 317 HG2 LYS A 20 -8.530 4.007 0.007 1.00 1.41 H ATOM 318 HG3 LYS A 20 -7.086 3.283 -0.714 1.00 1.49 H ATOM 319 HD2 LYS A 20 -7.007 5.649 -1.088 1.00 1.62 H ATOM 320 HD3 LYS A 20 -7.337 4.857 -2.629 1.00 1.69 H ATOM 321 HE2 LYS A 20 -9.731 5.352 -2.345 1.00 2.31 H ATOM 322 HE3 LYS A 20 -9.369 6.180 -0.834 1.00 2.26 H ATOM 323 HZ1 LYS A 20 -8.416 6.963 -3.492 1.00 2.71 H ATOM 324 HZ2 LYS A 20 -8.015 7.714 -2.109 1.00 2.79 H ATOM 325 HZ3 LYS A 20 -9.558 7.732 -2.620 1.00 2.74 H ATOM 326 N LEU A 21 -9.634 -0.366 -2.253 1.00 0.74 N ATOM 327 CA LEU A 21 -10.245 -1.345 -3.124 1.00 0.86 C ATOM 328 C LEU A 21 -11.136 -2.268 -2.304 1.00 0.96 C ATOM 329 O LEU A 21 -12.106 -2.833 -2.805 1.00 1.14 O ATOM 330 CB LEU A 21 -9.142 -2.136 -3.826 1.00 0.84 C ATOM 331 CG LEU A 21 -9.584 -2.989 -5.016 1.00 1.10 C ATOM 332 CD1 LEU A 21 -10.212 -2.123 -6.097 1.00 1.65 C ATOM 333 CD2 LEU A 21 -8.399 -3.761 -5.570 1.00 1.80 C ATOM 334 H LEU A 21 -8.740 -0.549 -1.894 1.00 0.66 H ATOM 335 HA LEU A 21 -10.843 -0.827 -3.857 1.00 0.99 H ATOM 336 HB2 LEU A 21 -8.393 -1.435 -4.164 1.00 0.79 H ATOM 337 HB3 LEU A 21 -8.687 -2.791 -3.097 1.00 0.80 H ATOM 338 HG LEU A 21 -10.325 -3.702 -4.685 1.00 1.61 H ATOM 339 HD11 LEU A 21 -9.508 -1.361 -6.402 1.00 2.13 H ATOM 340 HD12 LEU A 21 -11.104 -1.655 -5.711 1.00 2.12 H ATOM 341 HD13 LEU A 21 -10.468 -2.737 -6.946 1.00 2.18 H ATOM 342 HD21 LEU A 21 -8.714 -4.341 -6.424 1.00 2.31 H ATOM 343 HD22 LEU A 21 -8.014 -4.423 -4.809 1.00 2.31 H ATOM 344 HD23 LEU A 21 -7.627 -3.069 -5.871 1.00 2.27 H ATOM 345 N THR A 22 -10.797 -2.404 -1.031 1.00 0.92 N ATOM 346 CA THR A 22 -11.552 -3.243 -0.119 1.00 1.10 C ATOM 347 C THR A 22 -12.341 -2.399 0.876 1.00 1.19 C ATOM 348 O THR A 22 -12.952 -2.933 1.801 1.00 1.44 O ATOM 349 CB THR A 22 -10.610 -4.186 0.649 1.00 1.19 C ATOM 350 OG1 THR A 22 -9.612 -3.421 1.338 1.00 1.81 O ATOM 351 CG2 THR A 22 -9.934 -5.165 -0.298 1.00 1.51 C ATOM 352 H THR A 22 -10.003 -1.935 -0.695 1.00 0.84 H ATOM 353 HA THR A 22 -12.238 -3.842 -0.700 1.00 1.23 H ATOM 354 HB THR A 22 -11.189 -4.744 1.368 1.00 1.62 H ATOM 355 HG1 THR A 22 -10.002 -3.036 2.134 1.00 2.30 H ATOM 356 HG21 THR A 22 -10.684 -5.765 -0.789 1.00 1.97 H ATOM 357 HG22 THR A 22 -9.269 -5.806 0.261 1.00 2.04 H ATOM 358 HG23 THR A 22 -9.369 -4.618 -1.039 1.00 1.95 H ATOM 359 N ASN A 23 -12.318 -1.079 0.663 1.00 1.13 N ATOM 360 CA ASN A 23 -12.976 -0.110 1.547 1.00 1.33 C ATOM 361 C ASN A 23 -12.244 -0.014 2.885 1.00 1.94 C ATOM 362 O ASN A 23 -11.452 0.939 3.062 1.00 2.64 O ATOM 363 CB ASN A 23 -14.451 -0.462 1.772 1.00 1.97 C ATOM 364 CG ASN A 23 -15.179 0.564 2.627 1.00 2.54 C ATOM 365 OD1 ASN A 23 -16.060 0.217 3.417 1.00 3.05 O ATOM 366 ND2 ASN A 23 -14.843 1.834 2.460 1.00 3.13 N ATOM 367 OXT ASN A 23 -12.448 -0.893 3.751 1.00 2.58 O ATOM 368 H ASN A 23 -11.830 -0.740 -0.114 1.00 1.07 H ATOM 369 HA ASN A 23 -12.920 0.854 1.063 1.00 1.77 H ATOM 370 HB2 ASN A 23 -14.948 -0.519 0.816 1.00 2.48 H ATOM 371 HB3 ASN A 23 -14.514 -1.422 2.263 1.00 2.44 H ATOM 372 HD21 ASN A 23 -14.149 2.047 1.797 1.00 3.26 H ATOM 373 HD22 ASN A 23 -15.300 2.509 3.002 1.00 3.71 H TER 374 ASN A 23 ENDMDL MODEL 7 ATOM 1 N VAL A 1 5.886 -7.225 1.914 1.00 1.27 N ATOM 2 CA VAL A 1 5.643 -6.134 0.945 1.00 1.06 C ATOM 3 C VAL A 1 6.579 -4.961 1.231 1.00 0.70 C ATOM 4 O VAL A 1 6.227 -3.798 1.051 1.00 1.03 O ATOM 5 CB VAL A 1 4.161 -5.671 1.004 1.00 1.23 C ATOM 6 CG1 VAL A 1 3.813 -4.721 -0.139 1.00 1.80 C ATOM 7 CG2 VAL A 1 3.227 -6.872 0.993 1.00 1.58 C ATOM 8 H1 VAL A 1 6.822 -7.563 1.822 1.00 1.67 H ATOM 9 H2 VAL A 1 5.255 -7.978 1.751 1.00 1.64 H ATOM 10 H3 VAL A 1 5.752 -6.892 2.848 1.00 1.65 H ATOM 11 HA VAL A 1 5.855 -6.508 -0.041 1.00 1.35 H ATOM 12 HB VAL A 1 4.017 -5.143 1.933 1.00 1.79 H ATOM 13 HG11 VAL A 1 4.418 -3.828 -0.063 1.00 2.29 H ATOM 14 HG12 VAL A 1 2.767 -4.452 -0.077 1.00 2.21 H ATOM 15 HG13 VAL A 1 4.004 -5.208 -1.084 1.00 2.30 H ATOM 16 HG21 VAL A 1 3.434 -7.496 1.850 1.00 2.05 H ATOM 17 HG22 VAL A 1 3.379 -7.439 0.087 1.00 2.00 H ATOM 18 HG23 VAL A 1 2.203 -6.530 1.037 1.00 2.09 H ATOM 19 N LEU A 2 7.792 -5.272 1.667 1.00 0.51 N ATOM 20 CA LEU A 2 8.749 -4.228 2.019 1.00 0.77 C ATOM 21 C LEU A 2 10.194 -4.728 2.040 1.00 0.48 C ATOM 22 O LEU A 2 10.746 -5.077 3.082 1.00 0.60 O ATOM 23 CB LEU A 2 8.383 -3.569 3.346 1.00 1.37 C ATOM 24 CG LEU A 2 8.357 -4.462 4.596 1.00 2.23 C ATOM 25 CD1 LEU A 2 8.523 -3.611 5.845 1.00 3.06 C ATOM 26 CD2 LEU A 2 7.059 -5.248 4.684 1.00 2.69 C ATOM 27 H LEU A 2 8.052 -6.215 1.730 1.00 0.74 H ATOM 28 HA LEU A 2 8.677 -3.476 1.247 1.00 1.13 H ATOM 29 HB2 LEU A 2 9.085 -2.775 3.517 1.00 1.34 H ATOM 30 HB3 LEU A 2 7.407 -3.137 3.223 1.00 1.54 H ATOM 31 HG LEU A 2 9.179 -5.163 4.553 1.00 2.48 H ATOM 32 HD11 LEU A 2 7.717 -2.894 5.902 1.00 3.41 H ATOM 33 HD12 LEU A 2 9.468 -3.090 5.803 1.00 3.47 H ATOM 34 HD13 LEU A 2 8.501 -4.247 6.716 1.00 3.48 H ATOM 35 HD21 LEU A 2 7.086 -5.892 5.551 1.00 3.03 H ATOM 36 HD22 LEU A 2 6.940 -5.847 3.794 1.00 3.01 H ATOM 37 HD23 LEU A 2 6.229 -4.563 4.770 1.00 3.05 H ATOM 38 N PRO A 3 10.809 -4.767 0.862 1.00 0.32 N ATOM 39 CA PRO A 3 12.203 -5.164 0.677 1.00 0.25 C ATOM 40 C PRO A 3 13.189 -4.018 0.950 1.00 0.28 C ATOM 41 O PRO A 3 14.096 -4.155 1.769 1.00 0.49 O ATOM 42 CB PRO A 3 12.248 -5.579 -0.808 1.00 0.45 C ATOM 43 CG PRO A 3 10.841 -5.439 -1.314 1.00 0.63 C ATOM 44 CD PRO A 3 10.180 -4.450 -0.402 1.00 0.54 C ATOM 45 HA PRO A 3 12.458 -6.012 1.296 1.00 0.36 H ATOM 46 HB2 PRO A 3 12.921 -4.926 -1.342 1.00 0.67 H ATOM 47 HB3 PRO A 3 12.594 -6.599 -0.887 1.00 0.55 H ATOM 48 HG2 PRO A 3 10.849 -5.068 -2.328 1.00 0.89 H ATOM 49 HG3 PRO A 3 10.335 -6.393 -1.266 1.00 0.97 H ATOM 50 HD2 PRO A 3 10.405 -3.440 -0.705 1.00 0.65 H ATOM 51 HD3 PRO A 3 9.108 -4.605 -0.341 1.00 0.82 H ATOM 52 N ALA A 4 12.980 -2.877 0.286 1.00 0.18 N ATOM 53 CA ALA A 4 13.850 -1.710 0.449 1.00 0.22 C ATOM 54 C ALA A 4 13.183 -0.450 -0.103 1.00 0.19 C ATOM 55 O ALA A 4 12.615 0.342 0.647 1.00 0.21 O ATOM 56 CB ALA A 4 15.195 -1.940 -0.226 1.00 0.30 C ATOM 57 H ALA A 4 12.227 -2.823 -0.335 1.00 0.21 H ATOM 58 HA ALA A 4 14.024 -1.574 1.507 1.00 0.27 H ATOM 59 HB1 ALA A 4 15.047 -2.077 -1.286 1.00 1.08 H ATOM 60 HB2 ALA A 4 15.660 -2.822 0.189 1.00 1.06 H ATOM 61 HB3 ALA A 4 15.832 -1.084 -0.060 1.00 1.07 H ATOM 62 N LEU A 5 13.228 -0.266 -1.416 1.00 0.23 N ATOM 63 CA LEU A 5 12.527 0.853 -2.032 1.00 0.27 C ATOM 64 C LEU A 5 11.009 0.650 -1.936 1.00 0.24 C ATOM 65 O LEU A 5 10.295 1.562 -1.518 1.00 0.26 O ATOM 66 CB LEU A 5 12.970 1.074 -3.486 1.00 0.41 C ATOM 67 CG LEU A 5 12.238 2.197 -4.228 1.00 1.24 C ATOM 68 CD1 LEU A 5 12.455 3.535 -3.537 1.00 1.89 C ATOM 69 CD2 LEU A 5 12.702 2.263 -5.671 1.00 2.00 C ATOM 70 H LEU A 5 13.746 -0.884 -1.979 1.00 0.28 H ATOM 71 HA LEU A 5 12.780 1.734 -1.459 1.00 0.29 H ATOM 72 HB2 LEU A 5 14.026 1.304 -3.483 1.00 0.90 H ATOM 73 HB3 LEU A 5 12.823 0.160 -4.033 1.00 0.93 H ATOM 74 HG LEU A 5 11.178 1.988 -4.226 1.00 1.99 H ATOM 75 HD11 LEU A 5 13.511 3.759 -3.507 1.00 2.35 H ATOM 76 HD12 LEU A 5 12.068 3.488 -2.529 1.00 2.40 H ATOM 77 HD13 LEU A 5 11.939 4.310 -4.083 1.00 2.34 H ATOM 78 HD21 LEU A 5 12.492 1.325 -6.160 1.00 2.46 H ATOM 79 HD22 LEU A 5 13.764 2.451 -5.698 1.00 2.45 H ATOM 80 HD23 LEU A 5 12.182 3.060 -6.181 1.00 2.53 H ATOM 81 N PRO A 6 10.481 -0.553 -2.283 1.00 0.27 N ATOM 82 CA PRO A 6 9.063 -0.869 -2.070 1.00 0.31 C ATOM 83 C PRO A 6 8.713 -0.934 -0.582 1.00 0.27 C ATOM 84 O PRO A 6 7.554 -1.076 -0.215 1.00 0.36 O ATOM 85 CB PRO A 6 8.872 -2.242 -2.730 1.00 0.39 C ATOM 86 CG PRO A 6 10.069 -2.433 -3.595 1.00 0.40 C ATOM 87 CD PRO A 6 11.182 -1.677 -2.933 1.00 0.32 C ATOM 88 HA PRO A 6 8.424 -0.143 -2.551 1.00 0.37 H ATOM 89 HB2 PRO A 6 8.811 -3.003 -1.967 1.00 0.39 H ATOM 90 HB3 PRO A 6 7.963 -2.238 -3.313 1.00 0.49 H ATOM 91 HG2 PRO A 6 10.312 -3.483 -3.659 1.00 0.42 H ATOM 92 HG3 PRO A 6 9.878 -2.032 -4.579 1.00 0.48 H ATOM 93 HD2 PRO A 6 11.679 -2.299 -2.202 1.00 0.30 H ATOM 94 HD3 PRO A 6 11.883 -1.324 -3.668 1.00 0.40 H ATOM 95 N LEU A 7 9.727 -0.854 0.271 1.00 0.19 N ATOM 96 CA LEU A 7 9.503 -0.816 1.708 1.00 0.23 C ATOM 97 C LEU A 7 8.835 0.496 2.093 1.00 0.24 C ATOM 98 O LEU A 7 7.855 0.505 2.827 1.00 0.35 O ATOM 99 CB LEU A 7 10.828 -1.014 2.460 1.00 0.27 C ATOM 100 CG LEU A 7 10.774 -0.918 3.989 1.00 0.45 C ATOM 101 CD1 LEU A 7 11.808 -1.846 4.600 1.00 0.69 C ATOM 102 CD2 LEU A 7 11.030 0.509 4.455 1.00 0.68 C ATOM 103 H LEU A 7 10.641 -0.802 -0.073 1.00 0.15 H ATOM 104 HA LEU A 7 8.835 -1.625 1.956 1.00 0.31 H ATOM 105 HB2 LEU A 7 11.215 -1.988 2.202 1.00 0.25 H ATOM 106 HB3 LEU A 7 11.527 -0.270 2.104 1.00 0.27 H ATOM 107 HG LEU A 7 9.797 -1.218 4.336 1.00 0.66 H ATOM 108 HD11 LEU A 7 11.768 -1.773 5.676 1.00 1.29 H ATOM 109 HD12 LEU A 7 12.792 -1.564 4.256 1.00 1.26 H ATOM 110 HD13 LEU A 7 11.599 -2.863 4.301 1.00 1.30 H ATOM 111 HD21 LEU A 7 10.296 1.169 4.014 1.00 1.29 H ATOM 112 HD22 LEU A 7 12.019 0.817 4.150 1.00 1.26 H ATOM 113 HD23 LEU A 7 10.954 0.556 5.531 1.00 1.28 H ATOM 114 N LEU A 8 9.357 1.600 1.583 1.00 0.18 N ATOM 115 CA LEU A 8 8.764 2.899 1.858 1.00 0.20 C ATOM 116 C LEU A 8 7.725 3.240 0.799 1.00 0.18 C ATOM 117 O LEU A 8 6.552 3.436 1.108 1.00 0.16 O ATOM 118 CB LEU A 8 9.838 3.986 1.913 1.00 0.33 C ATOM 119 CG LEU A 8 9.311 5.400 2.160 1.00 0.36 C ATOM 120 CD1 LEU A 8 8.599 5.483 3.502 1.00 0.61 C ATOM 121 CD2 LEU A 8 10.442 6.410 2.090 1.00 0.66 C ATOM 122 H LEU A 8 10.153 1.540 1.009 1.00 0.19 H ATOM 123 HA LEU A 8 8.270 2.843 2.816 1.00 0.21 H ATOM 124 HB2 LEU A 8 10.533 3.737 2.702 1.00 0.39 H ATOM 125 HB3 LEU A 8 10.371 3.984 0.973 1.00 0.37 H ATOM 126 HG LEU A 8 8.595 5.644 1.391 1.00 0.53 H ATOM 127 HD11 LEU A 8 9.271 5.172 4.288 1.00 1.23 H ATOM 128 HD12 LEU A 8 7.733 4.837 3.490 1.00 1.28 H ATOM 129 HD13 LEU A 8 8.285 6.501 3.678 1.00 1.21 H ATOM 130 HD21 LEU A 8 11.181 6.178 2.843 1.00 1.30 H ATOM 131 HD22 LEU A 8 10.050 7.402 2.265 1.00 1.24 H ATOM 132 HD23 LEU A 8 10.899 6.372 1.113 1.00 1.28 H ATOM 133 N ALA A 9 8.166 3.279 -0.452 1.00 0.28 N ATOM 134 CA ALA A 9 7.300 3.627 -1.570 1.00 0.38 C ATOM 135 C ALA A 9 6.128 2.659 -1.667 1.00 0.38 C ATOM 136 O ALA A 9 4.986 3.057 -1.919 1.00 0.44 O ATOM 137 CB ALA A 9 8.102 3.614 -2.859 1.00 0.51 C ATOM 138 H ALA A 9 9.105 3.062 -0.631 1.00 0.32 H ATOM 139 HA ALA A 9 6.924 4.626 -1.412 1.00 0.40 H ATOM 140 HB1 ALA A 9 7.452 3.832 -3.692 1.00 1.20 H ATOM 141 HB2 ALA A 9 8.548 2.639 -2.992 1.00 1.12 H ATOM 142 HB3 ALA A 9 8.882 4.360 -2.804 1.00 1.13 H ATOM 143 N GLY A 10 6.424 1.390 -1.439 1.00 0.35 N ATOM 144 CA GLY A 10 5.411 0.363 -1.510 1.00 0.45 C ATOM 145 C GLY A 10 4.411 0.468 -0.380 1.00 0.41 C ATOM 146 O GLY A 10 3.207 0.422 -0.611 1.00 0.52 O ATOM 147 H GLY A 10 7.344 1.148 -1.213 1.00 0.31 H ATOM 148 HA2 GLY A 10 4.893 0.451 -2.450 1.00 0.55 H ATOM 149 HA3 GLY A 10 5.891 -0.604 -1.464 1.00 0.48 H ATOM 150 N LEU A 11 4.907 0.653 0.841 1.00 0.29 N ATOM 151 CA LEU A 11 4.046 0.739 2.023 1.00 0.31 C ATOM 152 C LEU A 11 3.131 1.953 1.969 1.00 0.23 C ATOM 153 O LEU A 11 2.231 2.104 2.793 1.00 0.22 O ATOM 154 CB LEU A 11 4.888 0.789 3.297 1.00 0.35 C ATOM 155 CG LEU A 11 4.921 -0.513 4.098 1.00 0.53 C ATOM 156 CD1 LEU A 11 3.542 -0.841 4.653 1.00 0.65 C ATOM 157 CD2 LEU A 11 5.424 -1.644 3.222 1.00 0.57 C ATOM 158 H LEU A 11 5.879 0.732 0.955 1.00 0.23 H ATOM 159 HA LEU A 11 3.437 -0.154 2.046 1.00 0.43 H ATOM 160 HB2 LEU A 11 5.903 1.040 3.020 1.00 0.28 H ATOM 161 HB3 LEU A 11 4.505 1.570 3.933 1.00 0.37 H ATOM 162 HG LEU A 11 5.600 -0.402 4.928 1.00 0.59 H ATOM 163 HD11 LEU A 11 3.594 -1.749 5.235 1.00 1.25 H ATOM 164 HD12 LEU A 11 2.848 -0.975 3.838 1.00 1.20 H ATOM 165 HD13 LEU A 11 3.205 -0.030 5.281 1.00 1.22 H ATOM 166 HD21 LEU A 11 6.442 -1.438 2.924 1.00 1.16 H ATOM 167 HD22 LEU A 11 4.802 -1.718 2.341 1.00 1.17 H ATOM 168 HD23 LEU A 11 5.387 -2.571 3.772 1.00 1.19 H ATOM 169 N MET A 12 3.369 2.817 1.006 1.00 0.21 N ATOM 170 CA MET A 12 2.536 3.989 0.823 1.00 0.18 C ATOM 171 C MET A 12 1.382 3.707 -0.128 1.00 0.17 C ATOM 172 O MET A 12 0.221 3.667 0.276 1.00 0.17 O ATOM 173 CB MET A 12 3.373 5.132 0.261 1.00 0.21 C ATOM 174 CG MET A 12 4.400 5.673 1.240 1.00 0.24 C ATOM 175 SD MET A 12 3.642 6.394 2.711 1.00 1.46 S ATOM 176 CE MET A 12 2.682 7.725 1.990 1.00 2.10 C ATOM 177 H MET A 12 4.130 2.661 0.405 1.00 0.22 H ATOM 178 HA MET A 12 2.141 4.279 1.785 1.00 0.19 H ATOM 179 HB2 MET A 12 3.895 4.769 -0.619 1.00 0.23 H ATOM 180 HB3 MET A 12 2.718 5.939 -0.027 1.00 0.22 H ATOM 181 HG2 MET A 12 5.046 4.862 1.544 1.00 0.82 H ATOM 182 HG3 MET A 12 4.987 6.430 0.745 1.00 0.85 H ATOM 183 HE1 MET A 12 1.953 7.317 1.309 1.00 2.56 H ATOM 184 HE2 MET A 12 3.339 8.395 1.455 1.00 2.58 H ATOM 185 HE3 MET A 12 2.176 8.267 2.776 1.00 2.52 H ATOM 186 N SER A 13 1.719 3.425 -1.374 1.00 0.19 N ATOM 187 CA SER A 13 0.723 3.376 -2.435 1.00 0.22 C ATOM 188 C SER A 13 0.076 2.002 -2.558 1.00 0.19 C ATOM 189 O SER A 13 -1.095 1.891 -2.922 1.00 0.22 O ATOM 190 CB SER A 13 1.370 3.778 -3.757 1.00 0.32 C ATOM 191 OG SER A 13 1.997 5.048 -3.642 1.00 1.27 O ATOM 192 H SER A 13 2.662 3.253 -1.589 1.00 0.22 H ATOM 193 HA SER A 13 -0.045 4.096 -2.194 1.00 0.24 H ATOM 194 HB2 SER A 13 2.114 3.044 -4.029 1.00 1.07 H ATOM 195 HB3 SER A 13 0.615 3.831 -4.527 1.00 1.01 H ATOM 196 HG SER A 13 2.842 4.953 -3.179 1.00 1.76 H ATOM 197 N LEU A 14 0.828 0.961 -2.235 1.00 0.21 N ATOM 198 CA LEU A 14 0.352 -0.402 -2.416 1.00 0.24 C ATOM 199 C LEU A 14 -0.823 -0.721 -1.493 1.00 0.21 C ATOM 200 O LEU A 14 -1.882 -1.110 -1.978 1.00 0.27 O ATOM 201 CB LEU A 14 1.492 -1.409 -2.226 1.00 0.30 C ATOM 202 CG LEU A 14 2.413 -1.602 -3.438 1.00 0.37 C ATOM 203 CD1 LEU A 14 1.671 -2.319 -4.553 1.00 0.95 C ATOM 204 CD2 LEU A 14 2.944 -0.266 -3.941 1.00 0.83 C ATOM 205 H LEU A 14 1.722 1.107 -1.858 1.00 0.24 H ATOM 206 HA LEU A 14 0.001 -0.477 -3.433 1.00 0.27 H ATOM 207 HB2 LEU A 14 2.095 -1.081 -1.393 1.00 0.29 H ATOM 208 HB3 LEU A 14 1.060 -2.363 -1.977 1.00 0.34 H ATOM 209 HG LEU A 14 3.256 -2.212 -3.150 1.00 0.79 H ATOM 210 HD11 LEU A 14 2.321 -2.424 -5.409 1.00 1.52 H ATOM 211 HD12 LEU A 14 0.798 -1.747 -4.833 1.00 1.53 H ATOM 212 HD13 LEU A 14 1.366 -3.296 -4.211 1.00 1.53 H ATOM 213 HD21 LEU A 14 3.183 0.371 -3.099 1.00 1.40 H ATOM 214 HD22 LEU A 14 2.193 0.214 -4.551 1.00 1.45 H ATOM 215 HD23 LEU A 14 3.833 -0.431 -4.529 1.00 1.47 H ATOM 216 N PRO A 15 -0.706 -0.521 -0.164 1.00 0.20 N ATOM 217 CA PRO A 15 -1.792 -0.855 0.738 1.00 0.23 C ATOM 218 C PRO A 15 -2.871 0.210 0.690 1.00 0.20 C ATOM 219 O PRO A 15 -3.996 -0.017 1.114 1.00 0.30 O ATOM 220 CB PRO A 15 -1.124 -0.907 2.108 1.00 0.32 C ATOM 221 CG PRO A 15 0.034 0.022 2.010 1.00 0.31 C ATOM 222 CD PRO A 15 0.432 0.087 0.557 1.00 0.24 C ATOM 223 HA PRO A 15 -2.220 -1.819 0.501 1.00 0.26 H ATOM 224 HB2 PRO A 15 -1.826 -0.586 2.864 1.00 0.36 H ATOM 225 HB3 PRO A 15 -0.802 -1.916 2.315 1.00 0.39 H ATOM 226 HG2 PRO A 15 -0.256 1.003 2.358 1.00 0.34 H ATOM 227 HG3 PRO A 15 0.854 -0.355 2.604 1.00 0.40 H ATOM 228 HD2 PRO A 15 0.560 1.120 0.255 1.00 0.25 H ATOM 229 HD3 PRO A 15 1.338 -0.473 0.388 1.00 0.32 H ATOM 230 N PHE A 16 -2.510 1.373 0.154 1.00 0.16 N ATOM 231 CA PHE A 16 -3.450 2.466 -0.013 1.00 0.22 C ATOM 232 C PHE A 16 -4.534 2.087 -1.015 1.00 0.22 C ATOM 233 O PHE A 16 -5.711 1.991 -0.669 1.00 0.32 O ATOM 234 CB PHE A 16 -2.711 3.711 -0.495 1.00 0.29 C ATOM 235 CG PHE A 16 -3.428 4.985 -0.188 1.00 0.43 C ATOM 236 CD1 PHE A 16 -4.179 5.603 -1.167 1.00 0.57 C ATOM 237 CD2 PHE A 16 -3.352 5.566 1.066 1.00 0.76 C ATOM 238 CE1 PHE A 16 -4.848 6.781 -0.903 1.00 0.80 C ATOM 239 CE2 PHE A 16 -4.017 6.743 1.338 1.00 1.01 C ATOM 240 CZ PHE A 16 -4.751 7.347 0.411 1.00 0.98 C ATOM 241 H PHE A 16 -1.577 1.502 -0.125 1.00 0.17 H ATOM 242 HA PHE A 16 -3.906 2.670 0.944 1.00 0.30 H ATOM 243 HB2 PHE A 16 -1.742 3.753 -0.021 1.00 0.45 H ATOM 244 HB3 PHE A 16 -2.580 3.652 -1.566 1.00 0.40 H ATOM 245 HD1 PHE A 16 -4.243 5.149 -2.148 1.00 0.71 H ATOM 246 HD2 PHE A 16 -2.766 5.087 1.836 1.00 0.91 H ATOM 247 HE1 PHE A 16 -5.431 7.255 -1.677 1.00 0.97 H ATOM 248 HE2 PHE A 16 -3.951 7.187 2.320 1.00 1.32 H ATOM 249 HZ PHE A 16 -5.266 8.266 0.647 1.00 1.21 H ATOM 250 N LEU A 17 -4.123 1.855 -2.256 1.00 0.22 N ATOM 251 CA LEU A 17 -5.043 1.499 -3.325 1.00 0.33 C ATOM 252 C LEU A 17 -5.737 0.175 -3.033 1.00 0.33 C ATOM 253 O LEU A 17 -6.935 0.032 -3.264 1.00 0.44 O ATOM 254 CB LEU A 17 -4.305 1.417 -4.667 1.00 0.45 C ATOM 255 CG LEU A 17 -4.105 2.745 -5.415 1.00 1.03 C ATOM 256 CD1 LEU A 17 -5.443 3.410 -5.705 1.00 1.93 C ATOM 257 CD2 LEU A 17 -3.200 3.687 -4.636 1.00 1.50 C ATOM 258 H LEU A 17 -3.169 1.926 -2.461 1.00 0.22 H ATOM 259 HA LEU A 17 -5.791 2.274 -3.385 1.00 0.43 H ATOM 260 HB2 LEU A 17 -3.331 0.986 -4.486 1.00 0.63 H ATOM 261 HB3 LEU A 17 -4.853 0.750 -5.308 1.00 0.90 H ATOM 262 HG LEU A 17 -3.631 2.541 -6.364 1.00 1.42 H ATOM 263 HD11 LEU A 17 -5.932 3.660 -4.775 1.00 2.42 H ATOM 264 HD12 LEU A 17 -6.067 2.733 -6.268 1.00 2.41 H ATOM 265 HD13 LEU A 17 -5.279 4.311 -6.278 1.00 2.41 H ATOM 266 HD21 LEU A 17 -3.089 4.613 -5.179 1.00 1.95 H ATOM 267 HD22 LEU A 17 -2.231 3.229 -4.505 1.00 2.00 H ATOM 268 HD23 LEU A 17 -3.636 3.887 -3.668 1.00 1.99 H ATOM 269 N GLN A 18 -4.984 -0.783 -2.505 1.00 0.30 N ATOM 270 CA GLN A 18 -5.533 -2.094 -2.179 1.00 0.40 C ATOM 271 C GLN A 18 -6.536 -2.001 -1.030 1.00 0.46 C ATOM 272 O GLN A 18 -7.430 -2.839 -0.906 1.00 0.56 O ATOM 273 CB GLN A 18 -4.404 -3.069 -1.846 1.00 0.48 C ATOM 274 CG GLN A 18 -3.573 -3.448 -3.064 1.00 0.66 C ATOM 275 CD GLN A 18 -2.311 -4.214 -2.719 1.00 1.28 C ATOM 276 OE1 GLN A 18 -2.256 -4.946 -1.726 1.00 2.28 O ATOM 277 NE2 GLN A 18 -1.285 -4.044 -3.537 1.00 1.17 N ATOM 278 H GLN A 18 -4.031 -0.607 -2.339 1.00 0.27 H ATOM 279 HA GLN A 18 -6.055 -2.454 -3.054 1.00 0.47 H ATOM 280 HB2 GLN A 18 -3.751 -2.613 -1.116 1.00 0.54 H ATOM 281 HB3 GLN A 18 -4.827 -3.967 -1.430 1.00 0.64 H ATOM 282 HG2 GLN A 18 -4.176 -4.063 -3.715 1.00 1.02 H ATOM 283 HG3 GLN A 18 -3.295 -2.544 -3.586 1.00 1.38 H ATOM 284 HE21 GLN A 18 -1.403 -3.442 -4.307 1.00 0.85 H ATOM 285 HE22 GLN A 18 -0.455 -4.525 -3.347 1.00 1.83 H ATOM 286 N HIS A 19 -6.396 -0.973 -0.199 1.00 0.46 N ATOM 287 CA HIS A 19 -7.355 -0.732 0.871 1.00 0.61 C ATOM 288 C HIS A 19 -8.617 -0.110 0.294 1.00 0.67 C ATOM 289 O HIS A 19 -9.723 -0.454 0.695 1.00 0.82 O ATOM 290 CB HIS A 19 -6.772 0.196 1.940 1.00 0.71 C ATOM 291 CG HIS A 19 -7.485 0.141 3.259 1.00 0.90 C ATOM 292 ND1 HIS A 19 -8.816 0.462 3.423 1.00 1.24 N ATOM 293 CD2 HIS A 19 -7.033 -0.211 4.484 1.00 1.01 C ATOM 294 CE1 HIS A 19 -9.148 0.314 4.692 1.00 1.42 C ATOM 295 NE2 HIS A 19 -8.084 -0.096 5.358 1.00 1.29 N ATOM 296 H HIS A 19 -5.629 -0.369 -0.304 1.00 0.42 H ATOM 297 HA HIS A 19 -7.604 -1.683 1.320 1.00 0.67 H ATOM 298 HB2 HIS A 19 -5.741 -0.074 2.113 1.00 0.75 H ATOM 299 HB3 HIS A 19 -6.814 1.214 1.583 1.00 0.79 H ATOM 300 HD1 HIS A 19 -9.433 0.756 2.713 1.00 1.42 H ATOM 301 HD2 HIS A 19 -6.028 -0.522 4.731 1.00 1.06 H ATOM 302 HE1 HIS A 19 -10.124 0.497 5.113 1.00 1.72 H ATOM 303 HE2 HIS A 19 -8.002 -0.091 6.337 1.00 1.48 H ATOM 304 N LYS A 20 -8.440 0.795 -0.665 1.00 0.65 N ATOM 305 CA LYS A 20 -9.567 1.483 -1.289 1.00 0.81 C ATOM 306 C LYS A 20 -10.321 0.521 -2.193 1.00 0.82 C ATOM 307 O LYS A 20 -11.516 0.677 -2.443 1.00 0.98 O ATOM 308 CB LYS A 20 -9.091 2.688 -2.103 1.00 0.97 C ATOM 309 CG LYS A 20 -8.222 3.664 -1.320 1.00 0.98 C ATOM 310 CD LYS A 20 -7.877 4.901 -2.139 1.00 1.26 C ATOM 311 CE LYS A 20 -9.103 5.761 -2.429 1.00 1.81 C ATOM 312 NZ LYS A 20 -9.706 6.315 -1.187 1.00 2.38 N ATOM 313 H LYS A 20 -7.529 0.996 -0.971 1.00 0.60 H ATOM 314 HA LYS A 20 -10.227 1.822 -0.510 1.00 0.91 H ATOM 315 HB2 LYS A 20 -8.522 2.330 -2.942 1.00 1.52 H ATOM 316 HB3 LYS A 20 -9.955 3.222 -2.467 1.00 1.46 H ATOM 317 HG2 LYS A 20 -8.751 3.970 -0.431 1.00 1.41 H ATOM 318 HG3 LYS A 20 -7.302 3.164 -1.040 1.00 1.49 H ATOM 319 HD2 LYS A 20 -7.160 5.493 -1.591 1.00 1.62 H ATOM 320 HD3 LYS A 20 -7.441 4.586 -3.076 1.00 1.69 H ATOM 321 HE2 LYS A 20 -8.808 6.579 -3.068 1.00 2.31 H ATOM 322 HE3 LYS A 20 -9.839 5.157 -2.938 1.00 2.26 H ATOM 323 HZ1 LYS A 20 -9.036 6.875 -0.699 1.00 2.71 H ATOM 324 HZ2 LYS A 20 -10.002 5.575 -0.587 1.00 2.79 H ATOM 325 HZ3 LYS A 20 -10.501 6.882 -1.412 1.00 2.74 H ATOM 326 N LEU A 21 -9.596 -0.470 -2.684 1.00 0.74 N ATOM 327 CA LEU A 21 -10.165 -1.513 -3.510 1.00 0.86 C ATOM 328 C LEU A 21 -11.229 -2.268 -2.718 1.00 0.96 C ATOM 329 O LEU A 21 -12.329 -2.518 -3.212 1.00 1.14 O ATOM 330 CB LEU A 21 -9.043 -2.460 -3.954 1.00 0.84 C ATOM 331 CG LEU A 21 -9.237 -3.159 -5.308 1.00 1.10 C ATOM 332 CD1 LEU A 21 -10.448 -4.079 -5.293 1.00 1.65 C ATOM 333 CD2 LEU A 21 -9.362 -2.133 -6.423 1.00 1.80 C ATOM 334 H LEU A 21 -8.633 -0.489 -2.497 1.00 0.66 H ATOM 335 HA LEU A 21 -10.617 -1.057 -4.375 1.00 0.99 H ATOM 336 HB2 LEU A 21 -8.127 -1.886 -3.997 1.00 0.79 H ATOM 337 HB3 LEU A 21 -8.930 -3.219 -3.197 1.00 0.80 H ATOM 338 HG LEU A 21 -8.366 -3.765 -5.515 1.00 1.61 H ATOM 339 HD11 LEU A 21 -10.318 -4.831 -4.529 1.00 2.13 H ATOM 340 HD12 LEU A 21 -10.550 -4.557 -6.256 1.00 2.12 H ATOM 341 HD13 LEU A 21 -11.335 -3.501 -5.081 1.00 2.18 H ATOM 342 HD21 LEU A 21 -10.246 -1.534 -6.265 1.00 2.31 H ATOM 343 HD22 LEU A 21 -9.440 -2.641 -7.372 1.00 2.31 H ATOM 344 HD23 LEU A 21 -8.491 -1.495 -6.426 1.00 2.27 H ATOM 345 N THR A 22 -10.901 -2.598 -1.481 1.00 0.92 N ATOM 346 CA THR A 22 -11.804 -3.337 -0.624 1.00 1.10 C ATOM 347 C THR A 22 -12.789 -2.410 0.089 1.00 1.19 C ATOM 348 O THR A 22 -13.969 -2.737 0.231 1.00 1.44 O ATOM 349 CB THR A 22 -11.011 -4.157 0.410 1.00 1.19 C ATOM 350 OG1 THR A 22 -9.990 -3.338 0.999 1.00 1.81 O ATOM 351 CG2 THR A 22 -10.375 -5.375 -0.243 1.00 1.51 C ATOM 352 H THR A 22 -10.021 -2.338 -1.132 1.00 0.84 H ATOM 353 HA THR A 22 -12.361 -4.025 -1.243 1.00 1.23 H ATOM 354 HB THR A 22 -11.688 -4.489 1.183 1.00 1.62 H ATOM 355 HG1 THR A 22 -10.357 -2.850 1.744 1.00 2.30 H ATOM 356 HG21 THR A 22 -9.833 -5.940 0.500 1.00 1.97 H ATOM 357 HG22 THR A 22 -9.694 -5.053 -1.018 1.00 2.04 H ATOM 358 HG23 THR A 22 -11.146 -5.996 -0.676 1.00 1.95 H ATOM 359 N ASN A 23 -12.301 -1.253 0.526 1.00 1.13 N ATOM 360 CA ASN A 23 -13.124 -0.279 1.238 1.00 1.33 C ATOM 361 C ASN A 23 -12.391 1.052 1.340 1.00 1.94 C ATOM 362 O ASN A 23 -12.653 1.949 0.513 1.00 2.64 O ATOM 363 CB ASN A 23 -13.470 -0.780 2.644 1.00 1.97 C ATOM 364 CG ASN A 23 -14.346 0.194 3.414 1.00 2.54 C ATOM 365 OD1 ASN A 23 -15.164 0.912 2.835 1.00 3.05 O ATOM 366 ND2 ASN A 23 -14.180 0.228 4.727 1.00 3.13 N ATOM 367 OXT ASN A 23 -11.542 1.195 2.247 1.00 2.58 O ATOM 368 H ASN A 23 -11.353 -1.040 0.363 1.00 1.07 H ATOM 369 HA ASN A 23 -14.035 -0.136 0.676 1.00 1.77 H ATOM 370 HB2 ASN A 23 -13.995 -1.721 2.565 1.00 2.48 H ATOM 371 HB3 ASN A 23 -12.556 -0.930 3.198 1.00 2.44 H ATOM 372 HD21 ASN A 23 -13.511 -0.369 5.125 1.00 3.26 H ATOM 373 HD22 ASN A 23 -14.735 0.846 5.250 1.00 3.71 H TER 374 ASN A 23 ENDMDL MODEL 8 ATOM 1 N VAL A 1 5.864 -7.254 1.339 1.00 1.27 N ATOM 2 CA VAL A 1 5.959 -6.320 0.194 1.00 1.06 C ATOM 3 C VAL A 1 6.883 -5.157 0.496 1.00 0.70 C ATOM 4 O VAL A 1 6.682 -4.043 0.015 1.00 1.03 O ATOM 5 CB VAL A 1 4.587 -5.757 -0.218 1.00 1.23 C ATOM 6 CG1 VAL A 1 3.722 -6.836 -0.851 1.00 1.80 C ATOM 7 CG2 VAL A 1 3.868 -5.114 0.966 1.00 1.58 C ATOM 8 H1 VAL A 1 5.556 -6.771 2.156 1.00 1.67 H ATOM 9 H2 VAL A 1 6.757 -7.665 1.524 1.00 1.64 H ATOM 10 H3 VAL A 1 5.214 -7.986 1.131 1.00 1.65 H ATOM 11 HA VAL A 1 6.368 -6.864 -0.639 1.00 1.35 H ATOM 12 HB VAL A 1 4.768 -4.993 -0.951 1.00 1.79 H ATOM 13 HG11 VAL A 1 4.218 -7.229 -1.727 1.00 2.29 H ATOM 14 HG12 VAL A 1 2.770 -6.413 -1.137 1.00 2.21 H ATOM 15 HG13 VAL A 1 3.563 -7.633 -0.141 1.00 2.30 H ATOM 16 HG21 VAL A 1 3.745 -5.843 1.752 1.00 2.05 H ATOM 17 HG22 VAL A 1 2.896 -4.758 0.648 1.00 2.00 H ATOM 18 HG23 VAL A 1 4.450 -4.281 1.333 1.00 2.09 H ATOM 19 N LEU A 2 7.906 -5.420 1.273 1.00 0.51 N ATOM 20 CA LEU A 2 8.825 -4.374 1.679 1.00 0.77 C ATOM 21 C LEU A 2 10.259 -4.869 1.808 1.00 0.48 C ATOM 22 O LEU A 2 10.743 -5.168 2.896 1.00 0.60 O ATOM 23 CB LEU A 2 8.375 -3.705 2.966 1.00 1.37 C ATOM 24 CG LEU A 2 7.996 -4.620 4.141 1.00 2.23 C ATOM 25 CD1 LEU A 2 8.164 -3.872 5.454 1.00 3.06 C ATOM 26 CD2 LEU A 2 6.560 -5.109 4.013 1.00 2.69 C ATOM 27 H LEU A 2 8.058 -6.339 1.560 1.00 0.74 H ATOM 28 HA LEU A 2 8.808 -3.630 0.897 1.00 1.13 H ATOM 29 HB2 LEU A 2 9.178 -3.068 3.286 1.00 1.34 H ATOM 30 HB3 LEU A 2 7.528 -3.090 2.724 1.00 1.54 H ATOM 31 HG LEU A 2 8.650 -5.479 4.154 1.00 2.48 H ATOM 32 HD11 LEU A 2 7.529 -2.997 5.454 1.00 3.41 H ATOM 33 HD12 LEU A 2 9.194 -3.569 5.567 1.00 3.47 H ATOM 34 HD13 LEU A 2 7.884 -4.517 6.274 1.00 3.48 H ATOM 35 HD21 LEU A 2 6.410 -5.532 3.030 1.00 3.03 H ATOM 36 HD22 LEU A 2 5.882 -4.281 4.157 1.00 3.01 H ATOM 37 HD23 LEU A 2 6.368 -5.864 4.762 1.00 3.05 H ATOM 38 N PRO A 3 10.940 -4.947 0.671 1.00 0.32 N ATOM 39 CA PRO A 3 12.357 -5.288 0.599 1.00 0.25 C ATOM 40 C PRO A 3 13.268 -4.086 0.885 1.00 0.28 C ATOM 41 O PRO A 3 14.157 -4.160 1.731 1.00 0.49 O ATOM 42 CB PRO A 3 12.520 -5.760 -0.846 1.00 0.45 C ATOM 43 CG PRO A 3 11.455 -5.049 -1.618 1.00 0.63 C ATOM 44 CD PRO A 3 10.351 -4.706 -0.643 1.00 0.54 C ATOM 45 HA PRO A 3 12.604 -6.093 1.274 1.00 0.36 H ATOM 46 HB2 PRO A 3 13.505 -5.496 -1.201 1.00 0.67 H ATOM 47 HB3 PRO A 3 12.391 -6.830 -0.893 1.00 0.55 H ATOM 48 HG2 PRO A 3 11.861 -4.149 -2.050 1.00 0.89 H ATOM 49 HG3 PRO A 3 11.076 -5.697 -2.396 1.00 0.97 H ATOM 50 HD2 PRO A 3 10.060 -3.667 -0.727 1.00 0.65 H ATOM 51 HD3 PRO A 3 9.495 -5.345 -0.798 1.00 0.82 H ATOM 52 N ALA A 4 13.027 -2.974 0.187 1.00 0.18 N ATOM 53 CA ALA A 4 13.848 -1.773 0.340 1.00 0.22 C ATOM 54 C ALA A 4 13.111 -0.533 -0.166 1.00 0.19 C ATOM 55 O ALA A 4 12.542 0.228 0.621 1.00 0.21 O ATOM 56 CB ALA A 4 15.171 -1.940 -0.394 1.00 0.30 C ATOM 57 H ALA A 4 12.280 -2.963 -0.444 1.00 0.21 H ATOM 58 HA ALA A 4 14.060 -1.649 1.391 1.00 0.27 H ATOM 59 HB1 ALA A 4 15.684 -2.812 -0.015 1.00 1.08 H ATOM 60 HB2 ALA A 4 15.783 -1.065 -0.236 1.00 1.06 H ATOM 61 HB3 ALA A 4 14.981 -2.063 -1.449 1.00 1.07 H ATOM 62 N LEU A 5 13.106 -0.331 -1.479 1.00 0.23 N ATOM 63 CA LEU A 5 12.378 0.789 -2.065 1.00 0.27 C ATOM 64 C LEU A 5 10.863 0.622 -1.863 1.00 0.24 C ATOM 65 O LEU A 5 10.209 1.536 -1.363 1.00 0.26 O ATOM 66 CB LEU A 5 12.737 0.969 -3.549 1.00 0.41 C ATOM 67 CG LEU A 5 11.897 1.999 -4.310 1.00 1.24 C ATOM 68 CD1 LEU A 5 12.134 3.398 -3.766 1.00 1.89 C ATOM 69 CD2 LEU A 5 12.212 1.939 -5.795 1.00 2.00 C ATOM 70 H LEU A 5 13.608 -0.940 -2.063 1.00 0.28 H ATOM 71 HA LEU A 5 12.685 1.675 -1.530 1.00 0.29 H ATOM 72 HB2 LEU A 5 13.771 1.275 -3.606 1.00 0.90 H ATOM 73 HB3 LEU A 5 12.639 0.021 -4.046 1.00 0.93 H ATOM 74 HG LEU A 5 10.851 1.764 -4.180 1.00 1.99 H ATOM 75 HD11 LEU A 5 11.529 4.105 -4.314 1.00 2.35 H ATOM 76 HD12 LEU A 5 13.177 3.656 -3.879 1.00 2.40 H ATOM 77 HD13 LEU A 5 11.866 3.430 -2.721 1.00 2.34 H ATOM 78 HD21 LEU A 5 13.261 2.134 -5.949 1.00 2.46 H ATOM 79 HD22 LEU A 5 11.628 2.683 -6.315 1.00 2.45 H ATOM 80 HD23 LEU A 5 11.968 0.959 -6.176 1.00 2.53 H ATOM 81 N PRO A 6 10.275 -0.549 -2.213 1.00 0.27 N ATOM 82 CA PRO A 6 8.859 -0.826 -1.933 1.00 0.31 C ATOM 83 C PRO A 6 8.561 -0.873 -0.436 1.00 0.27 C ATOM 84 O PRO A 6 7.410 -0.963 -0.027 1.00 0.36 O ATOM 85 CB PRO A 6 8.604 -2.197 -2.566 1.00 0.39 C ATOM 86 CG PRO A 6 9.740 -2.421 -3.500 1.00 0.40 C ATOM 87 CD PRO A 6 10.907 -1.672 -2.927 1.00 0.32 C ATOM 88 HA PRO A 6 8.220 -0.090 -2.398 1.00 0.37 H ATOM 89 HB2 PRO A 6 8.573 -2.950 -1.793 1.00 0.39 H ATOM 90 HB3 PRO A 6 7.660 -2.180 -3.092 1.00 0.49 H ATOM 91 HG2 PRO A 6 9.965 -3.475 -3.559 1.00 0.42 H ATOM 92 HG3 PRO A 6 9.493 -2.035 -4.477 1.00 0.48 H ATOM 93 HD2 PRO A 6 11.466 -2.295 -2.245 1.00 0.30 H ATOM 94 HD3 PRO A 6 11.540 -1.316 -3.718 1.00 0.40 H ATOM 95 N LEU A 7 9.603 -0.824 0.384 1.00 0.19 N ATOM 96 CA LEU A 7 9.419 -0.805 1.823 1.00 0.23 C ATOM 97 C LEU A 7 8.766 0.504 2.240 1.00 0.24 C ATOM 98 O LEU A 7 7.759 0.503 2.938 1.00 0.35 O ATOM 99 CB LEU A 7 10.756 -1.030 2.545 1.00 0.27 C ATOM 100 CG LEU A 7 10.694 -1.119 4.076 1.00 0.45 C ATOM 101 CD1 LEU A 7 11.760 -2.073 4.589 1.00 0.69 C ATOM 102 CD2 LEU A 7 10.888 0.252 4.703 1.00 0.68 C ATOM 103 H LEU A 7 10.507 -0.780 0.011 1.00 0.15 H ATOM 104 HA LEU A 7 8.747 -1.613 2.071 1.00 0.31 H ATOM 105 HB2 LEU A 7 11.187 -1.949 2.175 1.00 0.25 H ATOM 106 HB3 LEU A 7 11.417 -0.217 2.285 1.00 0.27 H ATOM 107 HG LEU A 7 9.728 -1.496 4.376 1.00 0.66 H ATOM 108 HD11 LEU A 7 12.735 -1.719 4.287 1.00 1.29 H ATOM 109 HD12 LEU A 7 11.590 -3.056 4.177 1.00 1.26 H ATOM 110 HD13 LEU A 7 11.711 -2.120 5.667 1.00 1.30 H ATOM 111 HD21 LEU A 7 11.859 0.638 4.431 1.00 1.29 H ATOM 112 HD22 LEU A 7 10.821 0.168 5.777 1.00 1.26 H ATOM 113 HD23 LEU A 7 10.121 0.923 4.345 1.00 1.28 H ATOM 114 N LEU A 8 9.322 1.622 1.802 1.00 0.18 N ATOM 115 CA LEU A 8 8.715 2.912 2.101 1.00 0.20 C ATOM 116 C LEU A 8 7.755 3.321 0.991 1.00 0.18 C ATOM 117 O LEU A 8 6.561 3.489 1.227 1.00 0.16 O ATOM 118 CB LEU A 8 9.779 3.987 2.315 1.00 0.33 C ATOM 119 CG LEU A 8 9.232 5.388 2.597 1.00 0.36 C ATOM 120 CD1 LEU A 8 8.346 5.388 3.834 1.00 0.61 C ATOM 121 CD2 LEU A 8 10.371 6.383 2.753 1.00 0.66 C ATOM 122 H LEU A 8 10.145 1.580 1.260 1.00 0.19 H ATOM 123 HA LEU A 8 8.145 2.801 3.012 1.00 0.21 H ATOM 124 HB2 LEU A 8 10.398 3.689 3.148 1.00 0.39 H ATOM 125 HB3 LEU A 8 10.395 4.036 1.430 1.00 0.37 H ATOM 126 HG LEU A 8 8.629 5.698 1.762 1.00 0.53 H ATOM 127 HD11 LEU A 8 7.469 4.784 3.645 1.00 1.23 H ATOM 128 HD12 LEU A 8 8.043 6.400 4.059 1.00 1.28 H ATOM 129 HD13 LEU A 8 8.891 4.980 4.670 1.00 1.21 H ATOM 130 HD21 LEU A 8 10.948 6.415 1.841 1.00 1.30 H ATOM 131 HD22 LEU A 8 11.006 6.077 3.571 1.00 1.24 H ATOM 132 HD23 LEU A 8 9.967 7.363 2.959 1.00 1.28 H ATOM 133 N ALA A 9 8.286 3.457 -0.220 1.00 0.28 N ATOM 134 CA ALA A 9 7.492 3.868 -1.371 1.00 0.38 C ATOM 135 C ALA A 9 6.330 2.913 -1.602 1.00 0.38 C ATOM 136 O ALA A 9 5.203 3.335 -1.873 1.00 0.44 O ATOM 137 CB ALA A 9 8.372 3.938 -2.608 1.00 0.51 C ATOM 138 H ALA A 9 9.242 3.276 -0.344 1.00 0.32 H ATOM 139 HA ALA A 9 7.102 4.856 -1.176 1.00 0.40 H ATOM 140 HB1 ALA A 9 7.774 4.218 -3.462 1.00 1.20 H ATOM 141 HB2 ALA A 9 8.822 2.971 -2.780 1.00 1.12 H ATOM 142 HB3 ALA A 9 9.149 4.672 -2.454 1.00 1.13 H ATOM 143 N GLY A 10 6.610 1.627 -1.469 1.00 0.35 N ATOM 144 CA GLY A 10 5.593 0.620 -1.672 1.00 0.45 C ATOM 145 C GLY A 10 4.534 0.651 -0.591 1.00 0.41 C ATOM 146 O GLY A 10 3.341 0.607 -0.885 1.00 0.52 O ATOM 147 H GLY A 10 7.519 1.361 -1.228 1.00 0.31 H ATOM 148 HA2 GLY A 10 5.125 0.788 -2.629 1.00 0.55 H ATOM 149 HA3 GLY A 10 6.060 -0.354 -1.677 1.00 0.48 H ATOM 150 N LEU A 11 4.963 0.767 0.663 1.00 0.29 N ATOM 151 CA LEU A 11 4.041 0.794 1.796 1.00 0.31 C ATOM 152 C LEU A 11 3.188 2.056 1.807 1.00 0.23 C ATOM 153 O LEU A 11 2.360 2.250 2.695 1.00 0.22 O ATOM 154 CB LEU A 11 4.813 0.678 3.103 1.00 0.35 C ATOM 155 CG LEU A 11 4.868 -0.732 3.696 1.00 0.53 C ATOM 156 CD1 LEU A 11 3.500 -1.156 4.207 1.00 0.65 C ATOM 157 CD2 LEU A 11 5.371 -1.721 2.658 1.00 0.57 C ATOM 158 H LEU A 11 5.931 0.830 0.837 1.00 0.23 H ATOM 159 HA LEU A 11 3.390 -0.064 1.706 1.00 0.43 H ATOM 160 HB2 LEU A 11 5.825 1.012 2.919 1.00 0.28 H ATOM 161 HB3 LEU A 11 4.364 1.337 3.826 1.00 0.37 H ATOM 162 HG LEU A 11 5.555 -0.740 4.528 1.00 0.59 H ATOM 163 HD11 LEU A 11 3.566 -2.147 4.631 1.00 1.25 H ATOM 164 HD12 LEU A 11 2.795 -1.162 3.389 1.00 1.20 H ATOM 165 HD13 LEU A 11 3.168 -0.463 4.964 1.00 1.22 H ATOM 166 HD21 LEU A 11 5.386 -2.712 3.081 1.00 1.16 H ATOM 167 HD22 LEU A 11 6.367 -1.443 2.350 1.00 1.17 H ATOM 168 HD23 LEU A 11 4.714 -1.705 1.800 1.00 1.19 H ATOM 169 N MET A 12 3.400 2.916 0.832 1.00 0.21 N ATOM 170 CA MET A 12 2.560 4.090 0.671 1.00 0.18 C ATOM 171 C MET A 12 1.369 3.783 -0.233 1.00 0.17 C ATOM 172 O MET A 12 0.224 3.755 0.215 1.00 0.17 O ATOM 173 CB MET A 12 3.371 5.235 0.067 1.00 0.21 C ATOM 174 CG MET A 12 4.502 5.722 0.959 1.00 0.24 C ATOM 175 SD MET A 12 5.473 7.045 0.206 1.00 1.46 S ATOM 176 CE MET A 12 4.219 8.307 -0.011 1.00 2.10 C ATOM 177 H MET A 12 4.149 2.761 0.215 1.00 0.22 H ATOM 178 HA MET A 12 2.200 4.384 1.644 1.00 0.19 H ATOM 179 HB2 MET A 12 3.797 4.894 -0.869 1.00 0.23 H ATOM 180 HB3 MET A 12 2.710 6.066 -0.129 1.00 0.22 H ATOM 181 HG2 MET A 12 4.082 6.085 1.884 1.00 0.82 H ATOM 182 HG3 MET A 12 5.158 4.888 1.168 1.00 0.85 H ATOM 183 HE1 MET A 12 3.768 8.533 0.944 1.00 2.56 H ATOM 184 HE2 MET A 12 3.461 7.948 -0.691 1.00 2.58 H ATOM 185 HE3 MET A 12 4.673 9.199 -0.415 1.00 2.52 H ATOM 186 N SER A 13 1.657 3.469 -1.484 1.00 0.19 N ATOM 187 CA SER A 13 0.617 3.342 -2.499 1.00 0.22 C ATOM 188 C SER A 13 0.016 1.939 -2.550 1.00 0.19 C ATOM 189 O SER A 13 -1.180 1.775 -2.802 1.00 0.22 O ATOM 190 CB SER A 13 1.198 3.724 -3.859 1.00 0.32 C ATOM 191 OG SER A 13 2.548 3.294 -3.967 1.00 1.27 O ATOM 192 H SER A 13 2.595 3.326 -1.740 1.00 0.22 H ATOM 193 HA SER A 13 -0.167 4.041 -2.253 1.00 0.24 H ATOM 194 HB2 SER A 13 0.619 3.255 -4.642 1.00 1.07 H ATOM 195 HB3 SER A 13 1.164 4.796 -3.977 1.00 1.01 H ATOM 196 HG SER A 13 2.642 2.723 -4.740 1.00 1.76 H ATOM 197 N LEU A 14 0.838 0.935 -2.288 1.00 0.21 N ATOM 198 CA LEU A 14 0.419 -0.457 -2.418 1.00 0.24 C ATOM 199 C LEU A 14 -0.698 -0.831 -1.439 1.00 0.21 C ATOM 200 O LEU A 14 -1.701 -1.407 -1.855 1.00 0.27 O ATOM 201 CB LEU A 14 1.611 -1.396 -2.264 1.00 0.30 C ATOM 202 CG LEU A 14 2.477 -1.560 -3.517 1.00 0.37 C ATOM 203 CD1 LEU A 14 3.002 -0.217 -4.009 1.00 0.95 C ATOM 204 CD2 LEU A 14 3.623 -2.508 -3.233 1.00 0.83 C ATOM 205 H LEU A 14 1.754 1.127 -1.993 1.00 0.24 H ATOM 206 HA LEU A 14 0.035 -0.575 -3.419 1.00 0.27 H ATOM 207 HB2 LEU A 14 2.237 -1.021 -1.467 1.00 0.29 H ATOM 208 HB3 LEU A 14 1.241 -2.367 -1.979 1.00 0.34 H ATOM 209 HG LEU A 14 1.877 -1.991 -4.304 1.00 0.79 H ATOM 210 HD11 LEU A 14 3.412 0.337 -3.177 1.00 1.52 H ATOM 211 HD12 LEU A 14 2.192 0.347 -4.449 1.00 1.53 H ATOM 212 HD13 LEU A 14 3.771 -0.380 -4.748 1.00 1.53 H ATOM 213 HD21 LEU A 14 4.221 -2.625 -4.122 1.00 1.40 H ATOM 214 HD22 LEU A 14 3.226 -3.467 -2.935 1.00 1.45 H ATOM 215 HD23 LEU A 14 4.232 -2.106 -2.437 1.00 1.47 H ATOM 216 N PRO A 15 -0.581 -0.518 -0.131 1.00 0.20 N ATOM 217 CA PRO A 15 -1.651 -0.821 0.801 1.00 0.23 C ATOM 218 C PRO A 15 -2.770 0.206 0.698 1.00 0.20 C ATOM 219 O PRO A 15 -3.902 -0.062 1.090 1.00 0.30 O ATOM 220 CB PRO A 15 -0.977 -0.765 2.169 1.00 0.32 C ATOM 221 CG PRO A 15 0.177 0.161 1.998 1.00 0.31 C ATOM 222 CD PRO A 15 0.556 0.143 0.537 1.00 0.24 C ATOM 223 HA PRO A 15 -2.050 -1.812 0.632 1.00 0.26 H ATOM 224 HB2 PRO A 15 -1.681 -0.391 2.903 1.00 0.36 H ATOM 225 HB3 PRO A 15 -0.651 -1.754 2.452 1.00 0.39 H ATOM 226 HG2 PRO A 15 -0.111 1.158 2.293 1.00 0.34 H ATOM 227 HG3 PRO A 15 1.007 -0.179 2.601 1.00 0.40 H ATOM 228 HD2 PRO A 15 0.673 1.156 0.173 1.00 0.25 H ATOM 229 HD3 PRO A 15 1.467 -0.418 0.391 1.00 0.32 H ATOM 230 N PHE A 16 -2.439 1.376 0.148 1.00 0.16 N ATOM 231 CA PHE A 16 -3.404 2.454 -0.020 1.00 0.22 C ATOM 232 C PHE A 16 -4.487 2.056 -1.018 1.00 0.22 C ATOM 233 O PHE A 16 -5.663 1.980 -0.673 1.00 0.32 O ATOM 234 CB PHE A 16 -2.690 3.714 -0.508 1.00 0.29 C ATOM 235 CG PHE A 16 -3.398 4.987 -0.154 1.00 0.43 C ATOM 236 CD1 PHE A 16 -4.354 5.506 -1.006 1.00 0.57 C ATOM 237 CD2 PHE A 16 -3.112 5.659 1.022 1.00 0.76 C ATOM 238 CE1 PHE A 16 -5.017 6.675 -0.695 1.00 0.80 C ATOM 239 CE2 PHE A 16 -3.771 6.830 1.341 1.00 1.01 C ATOM 240 CZ PHE A 16 -4.691 7.347 0.522 1.00 0.98 C ATOM 241 H PHE A 16 -1.511 1.525 -0.143 1.00 0.17 H ATOM 242 HA PHE A 16 -3.860 2.651 0.936 1.00 0.30 H ATOM 243 HB2 PHE A 16 -1.705 3.753 -0.069 1.00 0.45 H ATOM 244 HB3 PHE A 16 -2.598 3.674 -1.583 1.00 0.40 H ATOM 245 HD1 PHE A 16 -4.581 4.983 -1.924 1.00 0.71 H ATOM 246 HD2 PHE A 16 -2.367 5.260 1.693 1.00 0.91 H ATOM 247 HE1 PHE A 16 -5.762 7.071 -1.369 1.00 0.97 H ATOM 248 HE2 PHE A 16 -3.540 7.346 2.260 1.00 1.32 H ATOM 249 HZ PHE A 16 -5.194 8.266 0.785 1.00 1.21 H ATOM 250 N LEU A 17 -4.078 1.782 -2.251 1.00 0.22 N ATOM 251 CA LEU A 17 -5.013 1.438 -3.312 1.00 0.33 C ATOM 252 C LEU A 17 -5.745 0.138 -3.007 1.00 0.33 C ATOM 253 O LEU A 17 -6.939 0.016 -3.276 1.00 0.44 O ATOM 254 CB LEU A 17 -4.290 1.340 -4.657 1.00 0.45 C ATOM 255 CG LEU A 17 -4.121 2.660 -5.421 1.00 1.03 C ATOM 256 CD1 LEU A 17 -5.475 3.295 -5.702 1.00 1.93 C ATOM 257 CD2 LEU A 17 -3.230 3.625 -4.654 1.00 1.50 C ATOM 258 H LEU A 17 -3.122 1.813 -2.456 1.00 0.22 H ATOM 259 HA LEU A 17 -5.743 2.231 -3.369 1.00 0.43 H ATOM 260 HB2 LEU A 17 -3.308 0.925 -4.481 1.00 0.63 H ATOM 261 HB3 LEU A 17 -4.838 0.657 -5.283 1.00 0.90 H ATOM 262 HG LEU A 17 -3.649 2.456 -6.371 1.00 1.42 H ATOM 263 HD11 LEU A 17 -5.940 3.579 -4.771 1.00 2.42 H ATOM 264 HD12 LEU A 17 -6.104 2.582 -6.215 1.00 2.41 H ATOM 265 HD13 LEU A 17 -5.342 4.168 -6.322 1.00 2.41 H ATOM 266 HD21 LEU A 17 -3.141 4.550 -5.207 1.00 1.95 H ATOM 267 HD22 LEU A 17 -2.252 3.187 -4.525 1.00 2.00 H ATOM 268 HD23 LEU A 17 -3.667 3.825 -3.687 1.00 1.99 H ATOM 269 N GLN A 18 -5.037 -0.824 -2.430 1.00 0.30 N ATOM 270 CA GLN A 18 -5.646 -2.090 -2.038 1.00 0.40 C ATOM 271 C GLN A 18 -6.637 -1.888 -0.895 1.00 0.46 C ATOM 272 O GLN A 18 -7.569 -2.673 -0.720 1.00 0.56 O ATOM 273 CB GLN A 18 -4.566 -3.099 -1.646 1.00 0.48 C ATOM 274 CG GLN A 18 -4.040 -3.923 -2.815 1.00 0.66 C ATOM 275 CD GLN A 18 -3.797 -3.102 -4.068 1.00 1.28 C ATOM 276 OE1 GLN A 18 -4.681 -2.957 -4.910 1.00 2.28 O ATOM 277 NE2 GLN A 18 -2.603 -2.555 -4.200 1.00 1.17 N ATOM 278 H GLN A 18 -4.075 -0.688 -2.276 1.00 0.27 H ATOM 279 HA GLN A 18 -6.183 -2.471 -2.893 1.00 0.47 H ATOM 280 HB2 GLN A 18 -3.736 -2.565 -1.207 1.00 0.54 H ATOM 281 HB3 GLN A 18 -4.975 -3.776 -0.910 1.00 0.64 H ATOM 282 HG2 GLN A 18 -3.106 -4.375 -2.520 1.00 1.02 H ATOM 283 HG3 GLN A 18 -4.755 -4.699 -3.043 1.00 1.38 H ATOM 284 HE21 GLN A 18 -1.941 -2.706 -3.486 1.00 0.85 H ATOM 285 HE22 GLN A 18 -2.423 -2.019 -5.002 1.00 1.83 H ATOM 286 N HIS A 19 -6.442 -0.821 -0.131 1.00 0.46 N ATOM 287 CA HIS A 19 -7.357 -0.468 0.945 1.00 0.61 C ATOM 288 C HIS A 19 -8.620 0.150 0.356 1.00 0.67 C ATOM 289 O HIS A 19 -9.707 0.021 0.909 1.00 0.82 O ATOM 290 CB HIS A 19 -6.693 0.527 1.903 1.00 0.71 C ATOM 291 CG HIS A 19 -7.374 0.658 3.230 1.00 0.90 C ATOM 292 ND1 HIS A 19 -8.670 1.100 3.380 1.00 1.24 N ATOM 293 CD2 HIS A 19 -6.925 0.391 4.477 1.00 1.01 C ATOM 294 CE1 HIS A 19 -8.990 1.096 4.658 1.00 1.42 C ATOM 295 NE2 HIS A 19 -7.949 0.670 5.346 1.00 1.29 N ATOM 296 H HIS A 19 -5.657 -0.253 -0.296 1.00 0.42 H ATOM 297 HA HIS A 19 -7.616 -1.368 1.481 1.00 0.67 H ATOM 298 HB2 HIS A 19 -5.676 0.213 2.084 1.00 0.75 H ATOM 299 HB3 HIS A 19 -6.682 1.503 1.438 1.00 0.79 H ATOM 300 HD1 HIS A 19 -9.270 1.377 2.652 1.00 1.42 H ATOM 301 HD2 HIS A 19 -5.938 0.029 4.738 1.00 1.06 H ATOM 302 HE1 HIS A 19 -9.943 1.388 5.071 1.00 1.72 H ATOM 303 HE2 HIS A 19 -7.883 0.663 6.328 1.00 1.48 H ATOM 304 N LYS A 20 -8.462 0.811 -0.784 1.00 0.65 N ATOM 305 CA LYS A 20 -9.574 1.475 -1.448 1.00 0.81 C ATOM 306 C LYS A 20 -10.290 0.489 -2.356 1.00 0.82 C ATOM 307 O LYS A 20 -11.445 0.677 -2.732 1.00 0.98 O ATOM 308 CB LYS A 20 -9.071 2.666 -2.261 1.00 0.97 C ATOM 309 CG LYS A 20 -8.196 3.623 -1.463 1.00 0.98 C ATOM 310 CD LYS A 20 -7.842 4.878 -2.251 1.00 1.26 C ATOM 311 CE LYS A 20 -8.962 5.914 -2.237 1.00 1.81 C ATOM 312 NZ LYS A 20 -10.152 5.492 -3.024 1.00 2.38 N ATOM 313 H LYS A 20 -7.573 0.845 -1.197 1.00 0.60 H ATOM 314 HA LYS A 20 -10.258 1.822 -0.694 1.00 0.91 H ATOM 315 HB2 LYS A 20 -8.496 2.296 -3.091 1.00 1.52 H ATOM 316 HB3 LYS A 20 -9.919 3.214 -2.639 1.00 1.46 H ATOM 317 HG2 LYS A 20 -8.724 3.913 -0.568 1.00 1.41 H ATOM 318 HG3 LYS A 20 -7.281 3.111 -1.193 1.00 1.49 H ATOM 319 HD2 LYS A 20 -6.958 5.320 -1.818 1.00 1.62 H ATOM 320 HD3 LYS A 20 -7.637 4.598 -3.275 1.00 1.69 H ATOM 321 HE2 LYS A 20 -9.265 6.078 -1.215 1.00 2.31 H ATOM 322 HE3 LYS A 20 -8.582 6.839 -2.646 1.00 2.26 H ATOM 323 HZ1 LYS A 20 -9.874 5.197 -3.938 1.00 2.71 H ATOM 324 HZ2 LYS A 20 -10.787 6.256 -3.116 1.00 2.79 H ATOM 325 HZ3 LYS A 20 -10.622 4.739 -2.566 1.00 2.74 H ATOM 326 N LEU A 21 -9.571 -0.566 -2.705 1.00 0.74 N ATOM 327 CA LEU A 21 -10.107 -1.635 -3.527 1.00 0.86 C ATOM 328 C LEU A 21 -11.027 -2.517 -2.694 1.00 0.96 C ATOM 329 O LEU A 21 -11.933 -3.167 -3.214 1.00 1.14 O ATOM 330 CB LEU A 21 -8.953 -2.458 -4.099 1.00 0.84 C ATOM 331 CG LEU A 21 -9.323 -3.441 -5.212 1.00 1.10 C ATOM 332 CD1 LEU A 21 -9.899 -2.706 -6.415 1.00 1.65 C ATOM 333 CD2 LEU A 21 -8.108 -4.262 -5.619 1.00 1.80 C ATOM 334 H LEU A 21 -8.636 -0.619 -2.410 1.00 0.66 H ATOM 335 HA LEU A 21 -10.670 -1.194 -4.334 1.00 0.99 H ATOM 336 HB2 LEU A 21 -8.209 -1.772 -4.480 1.00 0.79 H ATOM 337 HB3 LEU A 21 -8.511 -3.020 -3.289 1.00 0.80 H ATOM 338 HG LEU A 21 -10.079 -4.122 -4.845 1.00 1.61 H ATOM 339 HD11 LEU A 21 -10.117 -3.416 -7.200 1.00 2.13 H ATOM 340 HD12 LEU A 21 -9.180 -1.984 -6.772 1.00 2.12 H ATOM 341 HD13 LEU A 21 -10.807 -2.200 -6.127 1.00 2.18 H ATOM 342 HD21 LEU A 21 -7.755 -4.829 -4.770 1.00 2.31 H ATOM 343 HD22 LEU A 21 -7.325 -3.600 -5.960 1.00 2.31 H ATOM 344 HD23 LEU A 21 -8.381 -4.937 -6.416 1.00 2.27 H ATOM 345 N THR A 22 -10.783 -2.531 -1.394 1.00 0.92 N ATOM 346 CA THR A 22 -11.586 -3.309 -0.472 1.00 1.10 C ATOM 347 C THR A 22 -12.607 -2.428 0.244 1.00 1.19 C ATOM 348 O THR A 22 -13.725 -2.861 0.531 1.00 1.44 O ATOM 349 CB THR A 22 -10.692 -4.012 0.563 1.00 1.19 C ATOM 350 OG1 THR A 22 -9.749 -3.075 1.100 1.00 1.81 O ATOM 351 CG2 THR A 22 -9.952 -5.182 -0.065 1.00 1.51 C ATOM 352 H THR A 22 -10.031 -2.009 -1.043 1.00 0.84 H ATOM 353 HA THR A 22 -12.110 -4.065 -1.038 1.00 1.23 H ATOM 354 HB THR A 22 -11.315 -4.383 1.365 1.00 1.62 H ATOM 355 HG1 THR A 22 -8.852 -3.370 0.893 1.00 2.30 H ATOM 356 HG21 THR A 22 -9.331 -5.657 0.680 1.00 1.97 H ATOM 357 HG22 THR A 22 -9.332 -4.823 -0.874 1.00 2.04 H ATOM 358 HG23 THR A 22 -10.665 -5.896 -0.448 1.00 1.95 H ATOM 359 N ASN A 23 -12.217 -1.188 0.522 1.00 1.13 N ATOM 360 CA ASN A 23 -13.078 -0.245 1.223 1.00 1.33 C ATOM 361 C ASN A 23 -13.156 1.072 0.461 1.00 1.94 C ATOM 362 O ASN A 23 -12.310 1.960 0.706 1.00 2.64 O ATOM 363 CB ASN A 23 -12.557 0.008 2.641 1.00 1.97 C ATOM 364 CG ASN A 23 -12.625 -1.225 3.519 1.00 2.54 C ATOM 365 OD1 ASN A 23 -13.616 -1.454 4.214 1.00 3.05 O ATOM 366 ND2 ASN A 23 -11.575 -2.032 3.495 1.00 3.13 N ATOM 367 OXT ASN A 23 -14.065 1.217 -0.383 1.00 2.58 O ATOM 368 H ASN A 23 -11.320 -0.898 0.253 1.00 1.07 H ATOM 369 HA ASN A 23 -14.066 -0.676 1.281 1.00 1.77 H ATOM 370 HB2 ASN A 23 -11.528 0.329 2.588 1.00 2.48 H ATOM 371 HB3 ASN A 23 -13.147 0.787 3.099 1.00 2.44 H ATOM 372 HD21 ASN A 23 -10.815 -1.791 2.918 1.00 3.26 H ATOM 373 HD22 ASN A 23 -11.597 -2.839 4.052 1.00 3.71 H TER 374 ASN A 23 ENDMDL MODEL 9 ATOM 1 N VAL A 1 6.106 -7.427 2.552 1.00 1.27 N ATOM 2 CA VAL A 1 5.718 -6.417 1.539 1.00 1.06 C ATOM 3 C VAL A 1 6.704 -5.254 1.551 1.00 0.70 C ATOM 4 O VAL A 1 6.380 -4.130 1.172 1.00 1.03 O ATOM 5 CB VAL A 1 4.274 -5.893 1.793 1.00 1.23 C ATOM 6 CG1 VAL A 1 3.743 -5.080 0.614 1.00 1.80 C ATOM 7 CG2 VAL A 1 3.334 -7.043 2.108 1.00 1.58 C ATOM 8 H1 VAL A 1 5.438 -8.171 2.573 1.00 1.67 H ATOM 9 H2 VAL A 1 6.153 -7.011 3.457 1.00 1.64 H ATOM 10 H3 VAL A 1 7.004 -7.811 2.326 1.00 1.65 H ATOM 11 HA VAL A 1 5.758 -6.883 0.572 1.00 1.35 H ATOM 12 HB VAL A 1 4.303 -5.242 2.655 1.00 1.79 H ATOM 13 HG11 VAL A 1 2.720 -4.788 0.808 1.00 2.29 H ATOM 14 HG12 VAL A 1 3.781 -5.679 -0.284 1.00 2.21 H ATOM 15 HG13 VAL A 1 4.349 -4.195 0.483 1.00 2.30 H ATOM 16 HG21 VAL A 1 3.330 -7.742 1.284 1.00 2.05 H ATOM 17 HG22 VAL A 1 2.336 -6.662 2.260 1.00 2.00 H ATOM 18 HG23 VAL A 1 3.668 -7.546 3.003 1.00 2.09 H ATOM 19 N LEU A 2 7.929 -5.530 1.959 1.00 0.51 N ATOM 20 CA LEU A 2 8.912 -4.469 2.118 1.00 0.77 C ATOM 21 C LEU A 2 10.361 -4.966 2.033 1.00 0.48 C ATOM 22 O LEU A 2 10.977 -5.339 3.027 1.00 0.60 O ATOM 23 CB LEU A 2 8.661 -3.695 3.414 1.00 1.37 C ATOM 24 CG LEU A 2 8.063 -4.481 4.597 1.00 2.23 C ATOM 25 CD1 LEU A 2 9.087 -5.394 5.249 1.00 3.06 C ATOM 26 CD2 LEU A 2 7.488 -3.519 5.625 1.00 2.69 C ATOM 27 H LEU A 2 8.181 -6.460 2.128 1.00 0.74 H ATOM 28 HA LEU A 2 8.760 -3.788 1.294 1.00 1.13 H ATOM 29 HB2 LEU A 2 9.602 -3.280 3.725 1.00 1.34 H ATOM 30 HB3 LEU A 2 7.992 -2.881 3.185 1.00 1.54 H ATOM 31 HG LEU A 2 7.255 -5.097 4.234 1.00 2.48 H ATOM 32 HD11 LEU A 2 9.893 -4.802 5.653 1.00 3.41 H ATOM 33 HD12 LEU A 2 9.478 -6.080 4.512 1.00 3.47 H ATOM 34 HD13 LEU A 2 8.616 -5.952 6.045 1.00 3.48 H ATOM 35 HD21 LEU A 2 8.270 -2.868 5.987 1.00 3.03 H ATOM 36 HD22 LEU A 2 7.077 -4.080 6.451 1.00 3.01 H ATOM 37 HD23 LEU A 2 6.709 -2.926 5.169 1.00 3.05 H ATOM 38 N PRO A 3 10.913 -4.973 0.819 1.00 0.32 N ATOM 39 CA PRO A 3 12.311 -5.320 0.581 1.00 0.25 C ATOM 40 C PRO A 3 13.271 -4.145 0.830 1.00 0.28 C ATOM 41 O PRO A 3 14.236 -4.276 1.581 1.00 0.49 O ATOM 42 CB PRO A 3 12.316 -5.727 -0.892 1.00 0.45 C ATOM 43 CG PRO A 3 11.168 -4.999 -1.517 1.00 0.63 C ATOM 44 CD PRO A 3 10.198 -4.645 -0.412 1.00 0.54 C ATOM 45 HA PRO A 3 12.614 -6.160 1.187 1.00 0.36 H ATOM 46 HB2 PRO A 3 13.255 -5.438 -1.342 1.00 0.67 H ATOM 47 HB3 PRO A 3 12.191 -6.797 -0.970 1.00 0.55 H ATOM 48 HG2 PRO A 3 11.526 -4.102 -1.995 1.00 0.89 H ATOM 49 HG3 PRO A 3 10.686 -5.639 -2.243 1.00 0.97 H ATOM 50 HD2 PRO A 3 9.960 -3.591 -0.430 1.00 0.65 H ATOM 51 HD3 PRO A 3 9.297 -5.234 -0.499 1.00 0.82 H ATOM 52 N ALA A 4 12.994 -2.994 0.212 1.00 0.18 N ATOM 53 CA ALA A 4 13.853 -1.816 0.354 1.00 0.22 C ATOM 54 C ALA A 4 13.141 -0.544 -0.118 1.00 0.19 C ATOM 55 O ALA A 4 12.561 0.185 0.686 1.00 0.21 O ATOM 56 CB ALA A 4 15.158 -2.013 -0.407 1.00 0.30 C ATOM 57 H ALA A 4 12.198 -2.938 -0.353 1.00 0.21 H ATOM 58 HA ALA A 4 14.092 -1.708 1.401 1.00 0.27 H ATOM 59 HB1 ALA A 4 15.686 -2.863 0.002 1.00 1.08 H ATOM 60 HB2 ALA A 4 15.768 -1.130 -0.312 1.00 1.06 H ATOM 61 HB3 ALA A 4 14.942 -2.193 -1.448 1.00 1.07 H ATOM 62 N LEU A 5 13.168 -0.275 -1.418 1.00 0.23 N ATOM 63 CA LEU A 5 12.452 0.880 -1.958 1.00 0.27 C ATOM 64 C LEU A 5 10.937 0.689 -1.813 1.00 0.24 C ATOM 65 O LEU A 5 10.253 1.585 -1.320 1.00 0.26 O ATOM 66 CB LEU A 5 12.843 1.159 -3.418 1.00 0.41 C ATOM 67 CG LEU A 5 12.075 2.296 -4.099 1.00 1.24 C ATOM 68 CD1 LEU A 5 12.360 3.626 -3.418 1.00 1.89 C ATOM 69 CD2 LEU A 5 12.431 2.365 -5.575 1.00 2.00 C ATOM 70 H LEU A 5 13.680 -0.854 -2.026 1.00 0.28 H ATOM 71 HA LEU A 5 12.737 1.733 -1.359 1.00 0.29 H ATOM 72 HB2 LEU A 5 13.894 1.403 -3.441 1.00 0.90 H ATOM 73 HB3 LEU A 5 12.692 0.262 -3.990 1.00 0.93 H ATOM 74 HG LEU A 5 11.015 2.103 -4.020 1.00 1.99 H ATOM 75 HD11 LEU A 5 13.419 3.828 -3.454 1.00 2.35 H ATOM 76 HD12 LEU A 5 12.036 3.579 -2.390 1.00 2.40 H ATOM 77 HD13 LEU A 5 11.826 4.412 -3.929 1.00 2.34 H ATOM 78 HD21 LEU A 5 13.493 2.531 -5.683 1.00 2.46 H ATOM 79 HD22 LEU A 5 11.892 3.179 -6.038 1.00 2.45 H ATOM 80 HD23 LEU A 5 12.162 1.436 -6.054 1.00 2.53 H ATOM 81 N PRO A 6 10.377 -0.485 -2.207 1.00 0.27 N ATOM 82 CA PRO A 6 8.962 -0.796 -1.966 1.00 0.31 C ATOM 83 C PRO A 6 8.625 -0.870 -0.474 1.00 0.27 C ATOM 84 O PRO A 6 7.463 -0.998 -0.100 1.00 0.36 O ATOM 85 CB PRO A 6 8.752 -2.161 -2.630 1.00 0.39 C ATOM 86 CG PRO A 6 9.898 -2.323 -3.564 1.00 0.40 C ATOM 87 CD PRO A 6 11.042 -1.572 -2.950 1.00 0.32 C ATOM 88 HA PRO A 6 8.320 -0.066 -2.435 1.00 0.37 H ATOM 89 HB2 PRO A 6 8.745 -2.935 -1.876 1.00 0.39 H ATOM 90 HB3 PRO A 6 7.811 -2.162 -3.160 1.00 0.49 H ATOM 91 HG2 PRO A 6 10.146 -3.370 -3.662 1.00 0.42 H ATOM 92 HG3 PRO A 6 9.648 -1.905 -4.526 1.00 0.48 H ATOM 93 HD2 PRO A 6 11.601 -2.209 -2.281 1.00 0.30 H ATOM 94 HD3 PRO A 6 11.683 -1.180 -3.718 1.00 0.40 H ATOM 95 N LEU A 7 9.643 -0.806 0.375 1.00 0.19 N ATOM 96 CA LEU A 7 9.424 -0.775 1.813 1.00 0.23 C ATOM 97 C LEU A 7 8.763 0.538 2.203 1.00 0.24 C ATOM 98 O LEU A 7 7.754 0.550 2.896 1.00 0.35 O ATOM 99 CB LEU A 7 10.747 -0.981 2.568 1.00 0.27 C ATOM 100 CG LEU A 7 10.671 -0.949 4.099 1.00 0.45 C ATOM 101 CD1 LEU A 7 11.759 -1.830 4.688 1.00 0.69 C ATOM 102 CD2 LEU A 7 10.827 0.473 4.622 1.00 0.68 C ATOM 103 H LEU A 7 10.557 -0.763 0.027 1.00 0.15 H ATOM 104 HA LEU A 7 8.752 -1.582 2.055 1.00 0.31 H ATOM 105 HB2 LEU A 7 11.152 -1.938 2.274 1.00 0.25 H ATOM 106 HB3 LEU A 7 11.434 -0.211 2.251 1.00 0.27 H ATOM 107 HG LEU A 7 9.711 -1.328 4.421 1.00 0.66 H ATOM 108 HD11 LEU A 7 11.685 -1.822 5.765 1.00 1.29 H ATOM 109 HD12 LEU A 7 12.726 -1.452 4.391 1.00 1.26 H ATOM 110 HD13 LEU A 7 11.641 -2.840 4.325 1.00 1.30 H ATOM 111 HD21 LEU A 7 11.782 0.870 4.309 1.00 1.29 H ATOM 112 HD22 LEU A 7 10.776 0.468 5.700 1.00 1.26 H ATOM 113 HD23 LEU A 7 10.034 1.092 4.226 1.00 1.28 H ATOM 114 N LEU A 8 9.328 1.646 1.757 1.00 0.18 N ATOM 115 CA LEU A 8 8.727 2.942 2.035 1.00 0.20 C ATOM 116 C LEU A 8 7.773 3.335 0.917 1.00 0.18 C ATOM 117 O LEU A 8 6.580 3.521 1.148 1.00 0.16 O ATOM 118 CB LEU A 8 9.798 4.013 2.228 1.00 0.33 C ATOM 119 CG LEU A 8 9.265 5.416 2.525 1.00 0.36 C ATOM 120 CD1 LEU A 8 8.365 5.403 3.752 1.00 0.61 C ATOM 121 CD2 LEU A 8 10.415 6.391 2.716 1.00 0.66 C ATOM 122 H LEU A 8 10.159 1.593 1.227 1.00 0.19 H ATOM 123 HA LEU A 8 8.157 2.851 2.948 1.00 0.21 H ATOM 124 HB2 LEU A 8 10.436 3.711 3.047 1.00 0.39 H ATOM 125 HB3 LEU A 8 10.395 4.062 1.329 1.00 0.37 H ATOM 126 HG LEU A 8 8.675 5.749 1.687 1.00 0.53 H ATOM 127 HD11 LEU A 8 8.882 4.931 4.574 1.00 1.23 H ATOM 128 HD12 LEU A 8 7.460 4.854 3.528 1.00 1.28 H ATOM 129 HD13 LEU A 8 8.110 6.418 4.021 1.00 1.21 H ATOM 130 HD21 LEU A 8 10.022 7.380 2.897 1.00 1.30 H ATOM 131 HD22 LEU A 8 11.027 6.403 1.827 1.00 1.24 H ATOM 132 HD23 LEU A 8 11.013 6.081 3.560 1.00 1.28 H ATOM 133 N ALA A 9 8.303 3.428 -0.294 1.00 0.28 N ATOM 134 CA ALA A 9 7.519 3.829 -1.455 1.00 0.38 C ATOM 135 C ALA A 9 6.357 2.873 -1.689 1.00 0.38 C ATOM 136 O ALA A 9 5.252 3.290 -2.043 1.00 0.44 O ATOM 137 CB ALA A 9 8.412 3.881 -2.682 1.00 0.51 C ATOM 138 H ALA A 9 9.255 3.220 -0.414 1.00 0.32 H ATOM 139 HA ALA A 9 7.132 4.820 -1.275 1.00 0.40 H ATOM 140 HB1 ALA A 9 9.211 4.587 -2.515 1.00 1.20 H ATOM 141 HB2 ALA A 9 7.831 4.188 -3.539 1.00 1.12 H ATOM 142 HB3 ALA A 9 8.829 2.901 -2.860 1.00 1.13 H ATOM 143 N GLY A 10 6.612 1.592 -1.478 1.00 0.35 N ATOM 144 CA GLY A 10 5.591 0.587 -1.682 1.00 0.45 C ATOM 145 C GLY A 10 4.530 0.620 -0.602 1.00 0.41 C ATOM 146 O GLY A 10 3.338 0.568 -0.897 1.00 0.52 O ATOM 147 H GLY A 10 7.502 1.328 -1.172 1.00 0.31 H ATOM 148 HA2 GLY A 10 5.123 0.757 -2.639 1.00 0.55 H ATOM 149 HA3 GLY A 10 6.055 -0.388 -1.687 1.00 0.48 H ATOM 150 N LEU A 11 4.960 0.749 0.652 1.00 0.29 N ATOM 151 CA LEU A 11 4.039 0.784 1.788 1.00 0.31 C ATOM 152 C LEU A 11 3.149 2.021 1.752 1.00 0.23 C ATOM 153 O LEU A 11 2.262 2.188 2.587 1.00 0.22 O ATOM 154 CB LEU A 11 4.822 0.750 3.097 1.00 0.35 C ATOM 155 CG LEU A 11 4.930 -0.626 3.759 1.00 0.53 C ATOM 156 CD1 LEU A 11 3.582 -1.078 4.294 1.00 0.65 C ATOM 157 CD2 LEU A 11 5.473 -1.645 2.773 1.00 0.57 C ATOM 158 H LEU A 11 5.927 0.816 0.823 1.00 0.23 H ATOM 159 HA LEU A 11 3.417 -0.099 1.734 1.00 0.43 H ATOM 160 HB2 LEU A 11 5.823 1.106 2.895 1.00 0.28 H ATOM 161 HB3 LEU A 11 4.356 1.427 3.792 1.00 0.37 H ATOM 162 HG LEU A 11 5.615 -0.565 4.588 1.00 0.59 H ATOM 163 HD11 LEU A 11 2.877 -1.153 3.479 1.00 1.25 H ATOM 164 HD12 LEU A 11 3.224 -0.361 5.016 1.00 1.20 H ATOM 165 HD13 LEU A 11 3.691 -2.043 4.766 1.00 1.22 H ATOM 166 HD21 LEU A 11 5.518 -2.616 3.244 1.00 1.16 H ATOM 167 HD22 LEU A 11 6.464 -1.349 2.461 1.00 1.17 H ATOM 168 HD23 LEU A 11 4.825 -1.691 1.910 1.00 1.19 H ATOM 169 N MET A 12 3.395 2.891 0.792 1.00 0.21 N ATOM 170 CA MET A 12 2.566 4.069 0.613 1.00 0.18 C ATOM 171 C MET A 12 1.363 3.762 -0.266 1.00 0.17 C ATOM 172 O MET A 12 0.221 3.784 0.192 1.00 0.17 O ATOM 173 CB MET A 12 3.375 5.187 -0.037 1.00 0.21 C ATOM 174 CG MET A 12 4.515 5.701 0.825 1.00 0.24 C ATOM 175 SD MET A 12 5.433 7.046 0.045 1.00 1.46 S ATOM 176 CE MET A 12 4.156 8.297 -0.091 1.00 2.10 C ATOM 177 H MET A 12 4.162 2.742 0.198 1.00 0.22 H ATOM 178 HA MET A 12 2.227 4.393 1.585 1.00 0.19 H ATOM 179 HB2 MET A 12 3.791 4.813 -0.965 1.00 0.23 H ATOM 180 HB3 MET A 12 2.714 6.012 -0.254 1.00 0.22 H ATOM 181 HG2 MET A 12 4.108 6.058 1.757 1.00 0.82 H ATOM 182 HG3 MET A 12 5.196 4.885 1.020 1.00 0.85 H ATOM 183 HE1 MET A 12 4.578 9.198 -0.511 1.00 2.56 H ATOM 184 HE2 MET A 12 3.754 8.509 0.889 1.00 2.58 H ATOM 185 HE3 MET A 12 3.366 7.937 -0.733 1.00 2.52 H ATOM 186 N SER A 13 1.633 3.415 -1.514 1.00 0.19 N ATOM 187 CA SER A 13 0.586 3.316 -2.521 1.00 0.22 C ATOM 188 C SER A 13 -0.030 1.923 -2.578 1.00 0.19 C ATOM 189 O SER A 13 -1.229 1.784 -2.831 1.00 0.22 O ATOM 190 CB SER A 13 1.155 3.699 -3.886 1.00 0.32 C ATOM 191 OG SER A 13 1.803 4.960 -3.818 1.00 1.27 O ATOM 192 H SER A 13 2.563 3.234 -1.768 1.00 0.22 H ATOM 193 HA SER A 13 -0.190 4.022 -2.260 1.00 0.24 H ATOM 194 HB2 SER A 13 1.870 2.954 -4.200 1.00 1.07 H ATOM 195 HB3 SER A 13 0.353 3.758 -4.606 1.00 1.01 H ATOM 196 HG SER A 13 1.155 5.658 -3.960 1.00 1.76 H ATOM 197 N LEU A 14 0.780 0.902 -2.325 1.00 0.21 N ATOM 198 CA LEU A 14 0.328 -0.481 -2.432 1.00 0.24 C ATOM 199 C LEU A 14 -0.836 -0.769 -1.482 1.00 0.21 C ATOM 200 O LEU A 14 -1.918 -1.132 -1.938 1.00 0.27 O ATOM 201 CB LEU A 14 1.486 -1.460 -2.186 1.00 0.30 C ATOM 202 CG LEU A 14 2.418 -1.723 -3.379 1.00 0.37 C ATOM 203 CD1 LEU A 14 1.695 -2.510 -4.458 1.00 0.95 C ATOM 204 CD2 LEU A 14 2.953 -0.418 -3.953 1.00 0.83 C ATOM 205 H LEU A 14 1.705 1.077 -2.051 1.00 0.24 H ATOM 206 HA LEU A 14 -0.026 -0.620 -3.442 1.00 0.27 H ATOM 207 HB2 LEU A 14 2.085 -1.072 -1.376 1.00 0.29 H ATOM 208 HB3 LEU A 14 1.067 -2.402 -1.875 1.00 0.34 H ATOM 209 HG LEU A 14 3.259 -2.312 -3.045 1.00 0.79 H ATOM 210 HD11 LEU A 14 1.338 -3.442 -4.045 1.00 1.52 H ATOM 211 HD12 LEU A 14 2.377 -2.715 -5.270 1.00 1.53 H ATOM 212 HD13 LEU A 14 0.859 -1.936 -4.827 1.00 1.53 H ATOM 213 HD21 LEU A 14 3.736 -0.631 -4.664 1.00 1.40 H ATOM 214 HD22 LEU A 14 3.344 0.196 -3.152 1.00 1.45 H ATOM 215 HD23 LEU A 14 2.151 0.109 -4.446 1.00 1.47 H ATOM 216 N PRO A 15 -0.676 -0.575 -0.155 1.00 0.20 N ATOM 217 CA PRO A 15 -1.743 -0.889 0.781 1.00 0.23 C ATOM 218 C PRO A 15 -2.841 0.157 0.720 1.00 0.20 C ATOM 219 O PRO A 15 -3.988 -0.111 1.063 1.00 0.30 O ATOM 220 CB PRO A 15 -1.047 -0.884 2.139 1.00 0.32 C ATOM 221 CG PRO A 15 0.097 0.052 1.980 1.00 0.31 C ATOM 222 CD PRO A 15 0.502 -0.001 0.530 1.00 0.24 C ATOM 223 HA PRO A 15 -2.162 -1.867 0.588 1.00 0.26 H ATOM 224 HB2 PRO A 15 -1.738 -0.542 2.898 1.00 0.36 H ATOM 225 HB3 PRO A 15 -0.710 -1.882 2.377 1.00 0.39 H ATOM 226 HG2 PRO A 15 -0.211 1.053 2.244 1.00 0.34 H ATOM 227 HG3 PRO A 15 0.918 -0.264 2.609 1.00 0.40 H ATOM 228 HD2 PRO A 15 0.702 1.000 0.166 1.00 0.25 H ATOM 229 HD3 PRO A 15 1.370 -0.630 0.405 1.00 0.32 H ATOM 230 N PHE A 16 -2.473 1.350 0.261 1.00 0.16 N ATOM 231 CA PHE A 16 -3.417 2.437 0.098 1.00 0.22 C ATOM 232 C PHE A 16 -4.466 2.075 -0.946 1.00 0.22 C ATOM 233 O PHE A 16 -5.658 2.031 -0.656 1.00 0.32 O ATOM 234 CB PHE A 16 -2.673 3.695 -0.337 1.00 0.29 C ATOM 235 CG PHE A 16 -3.316 4.962 0.119 1.00 0.43 C ATOM 236 CD1 PHE A 16 -4.224 5.607 -0.698 1.00 0.57 C ATOM 237 CD2 PHE A 16 -3.017 5.506 1.352 1.00 0.76 C ATOM 238 CE1 PHE A 16 -4.826 6.780 -0.292 1.00 0.80 C ATOM 239 CE2 PHE A 16 -3.616 6.678 1.767 1.00 1.01 C ATOM 240 CZ PHE A 16 -4.499 7.313 0.985 1.00 0.98 C ATOM 241 H PHE A 16 -1.527 1.507 0.041 1.00 0.17 H ATOM 242 HA PHE A 16 -3.901 2.616 1.045 1.00 0.30 H ATOM 243 HB2 PHE A 16 -1.672 3.669 0.066 1.00 0.45 H ATOM 244 HB3 PHE A 16 -2.619 3.718 -1.416 1.00 0.40 H ATOM 245 HD1 PHE A 16 -4.460 5.180 -1.664 1.00 0.71 H ATOM 246 HD2 PHE A 16 -2.309 5.003 1.993 1.00 0.91 H ATOM 247 HE1 PHE A 16 -5.533 7.276 -0.938 1.00 0.97 H ATOM 248 HE2 PHE A 16 -3.375 7.095 2.734 1.00 1.32 H ATOM 249 HZ PHE A 16 -4.959 8.228 1.321 1.00 1.21 H ATOM 250 N LEU A 17 -3.999 1.787 -2.155 1.00 0.22 N ATOM 251 CA LEU A 17 -4.879 1.495 -3.278 1.00 0.33 C ATOM 252 C LEU A 17 -5.716 0.252 -2.986 1.00 0.33 C ATOM 253 O LEU A 17 -6.928 0.245 -3.198 1.00 0.44 O ATOM 254 CB LEU A 17 -4.040 1.307 -4.554 1.00 0.45 C ATOM 255 CG LEU A 17 -4.774 1.488 -5.894 1.00 1.03 C ATOM 256 CD1 LEU A 17 -5.737 0.341 -6.167 1.00 1.93 C ATOM 257 CD2 LEU A 17 -5.513 2.817 -5.923 1.00 1.50 C ATOM 258 H LEU A 17 -3.028 1.765 -2.295 1.00 0.22 H ATOM 259 HA LEU A 17 -5.541 2.338 -3.410 1.00 0.43 H ATOM 260 HB2 LEU A 17 -3.226 2.017 -4.522 1.00 0.63 H ATOM 261 HB3 LEU A 17 -3.620 0.312 -4.533 1.00 0.90 H ATOM 262 HG LEU A 17 -4.046 1.500 -6.692 1.00 1.42 H ATOM 263 HD11 LEU A 17 -6.474 0.293 -5.378 1.00 2.42 H ATOM 264 HD12 LEU A 17 -5.188 -0.588 -6.203 1.00 2.41 H ATOM 265 HD13 LEU A 17 -6.232 0.504 -7.112 1.00 2.41 H ATOM 266 HD21 LEU A 17 -6.276 2.824 -5.159 1.00 1.95 H ATOM 267 HD22 LEU A 17 -5.974 2.953 -6.891 1.00 2.00 H ATOM 268 HD23 LEU A 17 -4.815 3.620 -5.741 1.00 1.99 H ATOM 269 N GLN A 18 -5.065 -0.785 -2.472 1.00 0.30 N ATOM 270 CA GLN A 18 -5.743 -2.039 -2.156 1.00 0.40 C ATOM 271 C GLN A 18 -6.794 -1.837 -1.064 1.00 0.46 C ATOM 272 O GLN A 18 -7.827 -2.511 -1.049 1.00 0.56 O ATOM 273 CB GLN A 18 -4.722 -3.091 -1.720 1.00 0.48 C ATOM 274 CG GLN A 18 -3.741 -3.466 -2.820 1.00 0.66 C ATOM 275 CD GLN A 18 -2.521 -4.199 -2.297 1.00 1.28 C ATOM 276 OE1 GLN A 18 -2.587 -4.919 -1.298 1.00 2.28 O ATOM 277 NE2 GLN A 18 -1.393 -4.006 -2.960 1.00 1.17 N ATOM 278 H GLN A 18 -4.100 -0.708 -2.305 1.00 0.27 H ATOM 279 HA GLN A 18 -6.239 -2.382 -3.053 1.00 0.47 H ATOM 280 HB2 GLN A 18 -4.161 -2.708 -0.881 1.00 0.54 H ATOM 281 HB3 GLN A 18 -5.247 -3.983 -1.415 1.00 0.64 H ATOM 282 HG2 GLN A 18 -4.246 -4.104 -3.531 1.00 1.02 H ATOM 283 HG3 GLN A 18 -3.416 -2.564 -3.317 1.00 1.38 H ATOM 284 HE21 GLN A 18 -1.414 -3.412 -3.744 1.00 0.85 H ATOM 285 HE22 GLN A 18 -0.581 -4.453 -2.642 1.00 1.83 H ATOM 286 N HIS A 19 -6.541 -0.893 -0.161 1.00 0.46 N ATOM 287 CA HIS A 19 -7.486 -0.599 0.909 1.00 0.61 C ATOM 288 C HIS A 19 -8.660 0.202 0.363 1.00 0.67 C ATOM 289 O HIS A 19 -9.771 0.122 0.877 1.00 0.82 O ATOM 290 CB HIS A 19 -6.811 0.182 2.038 1.00 0.71 C ATOM 291 CG HIS A 19 -7.492 0.036 3.365 1.00 0.90 C ATOM 292 ND1 HIS A 19 -8.857 0.159 3.545 1.00 1.24 N ATOM 293 CD2 HIS A 19 -6.982 -0.242 4.587 1.00 1.01 C ATOM 294 CE1 HIS A 19 -9.149 -0.036 4.816 1.00 1.42 C ATOM 295 NE2 HIS A 19 -8.032 -0.280 5.468 1.00 1.29 N ATOM 296 H HIS A 19 -5.700 -0.390 -0.213 1.00 0.42 H ATOM 297 HA HIS A 19 -7.853 -1.537 1.297 1.00 0.67 H ATOM 298 HB2 HIS A 19 -5.796 -0.166 2.147 1.00 0.75 H ATOM 299 HB3 HIS A 19 -6.800 1.232 1.781 1.00 0.79 H ATOM 300 HD1 HIS A 19 -9.520 0.344 2.838 1.00 1.42 H ATOM 301 HD2 HIS A 19 -5.940 -0.406 4.823 1.00 1.06 H ATOM 302 HE1 HIS A 19 -10.139 -0.005 5.247 1.00 1.72 H ATOM 303 HE2 HIS A 19 -7.975 -0.553 6.410 1.00 1.48 H ATOM 304 N LYS A 20 -8.404 0.978 -0.682 1.00 0.65 N ATOM 305 CA LYS A 20 -9.455 1.740 -1.340 1.00 0.81 C ATOM 306 C LYS A 20 -10.329 0.797 -2.147 1.00 0.82 C ATOM 307 O LYS A 20 -11.540 0.982 -2.260 1.00 0.98 O ATOM 308 CB LYS A 20 -8.860 2.806 -2.257 1.00 0.97 C ATOM 309 CG LYS A 20 -7.946 3.792 -1.545 1.00 0.98 C ATOM 310 CD LYS A 20 -7.383 4.842 -2.495 1.00 1.26 C ATOM 311 CE LYS A 20 -8.347 6.000 -2.727 1.00 1.81 C ATOM 312 NZ LYS A 20 -9.602 5.582 -3.403 1.00 2.38 N ATOM 313 H LYS A 20 -7.484 1.040 -1.019 1.00 0.60 H ATOM 314 HA LYS A 20 -10.053 2.216 -0.584 1.00 0.91 H ATOM 315 HB2 LYS A 20 -8.290 2.316 -3.027 1.00 1.52 H ATOM 316 HB3 LYS A 20 -9.664 3.360 -2.716 1.00 1.46 H ATOM 317 HG2 LYS A 20 -8.508 4.290 -0.770 1.00 1.41 H ATOM 318 HG3 LYS A 20 -7.123 3.246 -1.101 1.00 1.49 H ATOM 319 HD2 LYS A 20 -6.470 5.234 -2.075 1.00 1.62 H ATOM 320 HD3 LYS A 20 -7.168 4.370 -3.443 1.00 1.69 H ATOM 321 HE2 LYS A 20 -8.597 6.436 -1.772 1.00 2.31 H ATOM 322 HE3 LYS A 20 -7.853 6.741 -3.336 1.00 2.26 H ATOM 323 HZ1 LYS A 20 -10.128 4.973 -2.811 1.00 2.71 H ATOM 324 HZ2 LYS A 20 -9.393 5.100 -4.252 1.00 2.79 H ATOM 325 HZ3 LYS A 20 -10.159 6.382 -3.620 1.00 2.74 H ATOM 326 N LEU A 21 -9.689 -0.228 -2.689 1.00 0.74 N ATOM 327 CA LEU A 21 -10.356 -1.235 -3.487 1.00 0.86 C ATOM 328 C LEU A 21 -11.289 -2.068 -2.609 1.00 0.96 C ATOM 329 O LEU A 21 -12.443 -2.312 -2.961 1.00 1.14 O ATOM 330 CB LEU A 21 -9.294 -2.128 -4.137 1.00 0.84 C ATOM 331 CG LEU A 21 -9.614 -2.654 -5.543 1.00 1.10 C ATOM 332 CD1 LEU A 21 -10.908 -3.452 -5.554 1.00 1.65 C ATOM 333 CD2 LEU A 21 -9.680 -1.501 -6.534 1.00 1.80 C ATOM 334 H LEU A 21 -8.719 -0.303 -2.553 1.00 0.66 H ATOM 335 HA LEU A 21 -10.931 -0.741 -4.254 1.00 0.99 H ATOM 336 HB2 LEU A 21 -8.373 -1.564 -4.190 1.00 0.79 H ATOM 337 HB3 LEU A 21 -9.131 -2.976 -3.490 1.00 0.80 H ATOM 338 HG LEU A 21 -8.819 -3.314 -5.856 1.00 1.61 H ATOM 339 HD11 LEU A 21 -11.720 -2.824 -5.222 1.00 2.13 H ATOM 340 HD12 LEU A 21 -10.815 -4.300 -4.893 1.00 2.12 H ATOM 341 HD13 LEU A 21 -11.109 -3.798 -6.557 1.00 2.18 H ATOM 342 HD21 LEU A 21 -8.736 -0.976 -6.535 1.00 2.31 H ATOM 343 HD22 LEU A 21 -10.469 -0.824 -6.247 1.00 2.31 H ATOM 344 HD23 LEU A 21 -9.879 -1.888 -7.522 1.00 2.27 H ATOM 345 N THR A 22 -10.788 -2.479 -1.452 1.00 0.92 N ATOM 346 CA THR A 22 -11.555 -3.310 -0.537 1.00 1.10 C ATOM 347 C THR A 22 -12.429 -2.464 0.390 1.00 1.19 C ATOM 348 O THR A 22 -13.229 -3.000 1.159 1.00 1.44 O ATOM 349 CB THR A 22 -10.622 -4.201 0.305 1.00 1.19 C ATOM 350 OG1 THR A 22 -9.552 -3.413 0.849 1.00 1.81 O ATOM 351 CG2 THR A 22 -10.047 -5.334 -0.533 1.00 1.51 C ATOM 352 H THR A 22 -9.872 -2.222 -1.209 1.00 0.84 H ATOM 353 HA THR A 22 -12.192 -3.953 -1.127 1.00 1.23 H ATOM 354 HB THR A 22 -11.192 -4.628 1.117 1.00 1.62 H ATOM 355 HG1 THR A 22 -8.832 -3.360 0.204 1.00 2.30 H ATOM 356 HG21 THR A 22 -9.502 -4.922 -1.369 1.00 1.97 H ATOM 357 HG22 THR A 22 -10.852 -5.955 -0.899 1.00 2.04 H ATOM 358 HG23 THR A 22 -9.381 -5.929 0.074 1.00 1.95 H ATOM 359 N ASN A 23 -12.272 -1.144 0.289 1.00 1.13 N ATOM 360 CA ASN A 23 -13.011 -0.182 1.111 1.00 1.33 C ATOM 361 C ASN A 23 -12.653 -0.322 2.586 1.00 1.94 C ATOM 362 O ASN A 23 -13.272 -1.152 3.286 1.00 2.64 O ATOM 363 CB ASN A 23 -14.527 -0.306 0.918 1.00 1.97 C ATOM 364 CG ASN A 23 -14.976 0.145 -0.457 1.00 2.54 C ATOM 365 OD1 ASN A 23 -15.201 1.332 -0.692 1.00 3.05 O ATOM 366 ND2 ASN A 23 -15.132 -0.798 -1.371 1.00 3.13 N ATOM 367 OXT ASN A 23 -11.751 0.410 3.041 1.00 2.58 O ATOM 368 H ASN A 23 -11.620 -0.801 -0.356 1.00 1.07 H ATOM 369 HA ASN A 23 -12.709 0.803 0.789 1.00 1.77 H ATOM 370 HB2 ASN A 23 -14.814 -1.337 1.048 1.00 2.48 H ATOM 371 HB3 ASN A 23 -15.027 0.301 1.658 1.00 2.44 H ATOM 372 HD21 ASN A 23 -14.950 -1.728 -1.113 1.00 3.26 H ATOM 373 HD22 ASN A 23 -15.433 -0.533 -2.268 1.00 3.71 H TER 374 ASN A 23 ENDMDL MODEL 10 ATOM 1 N VAL A 1 5.706 -7.272 1.945 1.00 1.27 N ATOM 2 CA VAL A 1 5.866 -6.483 0.700 1.00 1.06 C ATOM 3 C VAL A 1 6.758 -5.268 0.906 1.00 0.70 C ATOM 4 O VAL A 1 6.452 -4.173 0.434 1.00 1.03 O ATOM 5 CB VAL A 1 4.516 -5.992 0.151 1.00 1.23 C ATOM 6 CG1 VAL A 1 3.728 -7.136 -0.463 1.00 1.80 C ATOM 7 CG2 VAL A 1 3.692 -5.292 1.230 1.00 1.58 C ATOM 8 H1 VAL A 1 6.592 -7.618 2.249 1.00 1.67 H ATOM 9 H2 VAL A 1 5.098 -8.048 1.788 1.00 1.64 H ATOM 10 H3 VAL A 1 5.316 -6.703 2.668 1.00 1.65 H ATOM 11 HA VAL A 1 6.321 -7.120 -0.042 1.00 1.35 H ATOM 12 HB VAL A 1 4.732 -5.276 -0.619 1.00 1.79 H ATOM 13 HG11 VAL A 1 4.305 -7.584 -1.258 1.00 2.29 H ATOM 14 HG12 VAL A 1 2.798 -6.759 -0.862 1.00 2.21 H ATOM 15 HG13 VAL A 1 3.522 -7.877 0.293 1.00 2.30 H ATOM 16 HG21 VAL A 1 2.758 -4.950 0.806 1.00 2.05 H ATOM 17 HG22 VAL A 1 4.244 -4.443 1.610 1.00 2.00 H ATOM 18 HG23 VAL A 1 3.492 -5.981 2.034 1.00 2.09 H ATOM 19 N LEU A 2 7.869 -5.456 1.586 1.00 0.51 N ATOM 20 CA LEU A 2 8.750 -4.337 1.896 1.00 0.77 C ATOM 21 C LEU A 2 10.208 -4.757 2.029 1.00 0.48 C ATOM 22 O LEU A 2 10.709 -5.015 3.122 1.00 0.60 O ATOM 23 CB LEU A 2 8.288 -3.606 3.149 1.00 1.37 C ATOM 24 CG LEU A 2 8.022 -4.458 4.393 1.00 2.23 C ATOM 25 CD1 LEU A 2 8.233 -3.628 5.648 1.00 3.06 C ATOM 26 CD2 LEU A 2 6.603 -5.004 4.373 1.00 2.69 C ATOM 27 H LEU A 2 8.109 -6.361 1.865 1.00 0.74 H ATOM 28 HA LEU A 2 8.681 -3.649 1.067 1.00 1.13 H ATOM 29 HB2 LEU A 2 9.035 -2.875 3.394 1.00 1.34 H ATOM 30 HB3 LEU A 2 7.381 -3.092 2.896 1.00 1.54 H ATOM 31 HG LEU A 2 8.710 -5.292 4.414 1.00 2.48 H ATOM 32 HD11 LEU A 2 8.023 -4.231 6.518 1.00 3.41 H ATOM 33 HD12 LEU A 2 7.570 -2.777 5.632 1.00 3.47 H ATOM 34 HD13 LEU A 2 9.258 -3.287 5.686 1.00 3.48 H ATOM 35 HD21 LEU A 2 6.475 -5.706 5.183 1.00 3.03 H ATOM 36 HD22 LEU A 2 6.420 -5.502 3.430 1.00 3.01 H ATOM 37 HD23 LEU A 2 5.904 -4.191 4.490 1.00 3.05 H ATOM 38 N PRO A 3 10.896 -4.824 0.892 1.00 0.32 N ATOM 39 CA PRO A 3 12.309 -5.180 0.813 1.00 0.25 C ATOM 40 C PRO A 3 13.231 -3.991 1.106 1.00 0.28 C ATOM 41 O PRO A 3 14.106 -4.071 1.973 1.00 0.49 O ATOM 42 CB PRO A 3 12.468 -5.645 -0.649 1.00 0.45 C ATOM 43 CG PRO A 3 11.097 -5.562 -1.258 1.00 0.63 C ATOM 44 CD PRO A 3 10.339 -4.576 -0.423 1.00 0.54 C ATOM 45 HA PRO A 3 12.550 -5.995 1.480 1.00 0.36 H ATOM 46 HB2 PRO A 3 13.163 -4.994 -1.159 1.00 0.67 H ATOM 47 HB3 PRO A 3 12.843 -6.657 -0.666 1.00 0.55 H ATOM 48 HG2 PRO A 3 11.168 -5.215 -2.278 1.00 0.89 H ATOM 49 HG3 PRO A 3 10.620 -6.531 -1.221 1.00 0.97 H ATOM 50 HD2 PRO A 3 10.539 -3.566 -0.747 1.00 0.65 H ATOM 51 HD3 PRO A 3 9.275 -4.777 -0.427 1.00 0.82 H ATOM 52 N ALA A 4 13.012 -2.880 0.399 1.00 0.18 N ATOM 53 CA ALA A 4 13.827 -1.678 0.570 1.00 0.22 C ATOM 54 C ALA A 4 13.136 -0.455 -0.035 1.00 0.19 C ATOM 55 O ALA A 4 12.580 0.375 0.684 1.00 0.21 O ATOM 56 CB ALA A 4 15.201 -1.872 -0.050 1.00 0.30 C ATOM 57 H ALA A 4 12.290 -2.872 -0.259 1.00 0.21 H ATOM 58 HA ALA A 4 13.956 -1.515 1.631 1.00 0.27 H ATOM 59 HB1 ALA A 4 15.098 -1.982 -1.119 1.00 1.08 H ATOM 60 HB2 ALA A 4 15.660 -2.759 0.362 1.00 1.06 H ATOM 61 HB3 ALA A 4 15.818 -1.014 0.166 1.00 1.07 H ATOM 62 N LEU A 5 13.154 -0.347 -1.359 1.00 0.23 N ATOM 63 CA LEU A 5 12.480 0.760 -2.031 1.00 0.27 C ATOM 64 C LEU A 5 10.957 0.587 -1.972 1.00 0.24 C ATOM 65 O LEU A 5 10.247 1.527 -1.615 1.00 0.26 O ATOM 66 CB LEU A 5 12.969 0.917 -3.477 1.00 0.41 C ATOM 67 CG LEU A 5 14.448 1.284 -3.632 1.00 1.24 C ATOM 68 CD1 LEU A 5 14.812 1.397 -5.104 1.00 1.89 C ATOM 69 CD2 LEU A 5 14.763 2.583 -2.906 1.00 2.00 C ATOM 70 H LEU A 5 13.623 -1.024 -1.895 1.00 0.28 H ATOM 71 HA LEU A 5 12.732 1.657 -1.486 1.00 0.29 H ATOM 72 HB2 LEU A 5 12.801 -0.011 -3.996 1.00 0.90 H ATOM 73 HB3 LEU A 5 12.380 1.687 -3.953 1.00 0.93 H ATOM 74 HG LEU A 5 15.053 0.501 -3.199 1.00 1.99 H ATOM 75 HD11 LEU A 5 14.217 2.173 -5.563 1.00 2.35 H ATOM 76 HD12 LEU A 5 14.619 0.456 -5.596 1.00 2.40 H ATOM 77 HD13 LEU A 5 15.859 1.644 -5.198 1.00 2.34 H ATOM 78 HD21 LEU A 5 15.799 2.842 -3.065 1.00 2.46 H ATOM 79 HD22 LEU A 5 14.583 2.458 -1.849 1.00 2.45 H ATOM 80 HD23 LEU A 5 14.132 3.374 -3.288 1.00 2.53 H ATOM 81 N PRO A 6 10.419 -0.618 -2.291 1.00 0.27 N ATOM 82 CA PRO A 6 8.994 -0.909 -2.097 1.00 0.31 C ATOM 83 C PRO A 6 8.617 -0.931 -0.618 1.00 0.27 C ATOM 84 O PRO A 6 7.448 -1.036 -0.264 1.00 0.36 O ATOM 85 CB PRO A 6 8.796 -2.297 -2.714 1.00 0.39 C ATOM 86 CG PRO A 6 10.015 -2.554 -3.527 1.00 0.40 C ATOM 87 CD PRO A 6 11.120 -1.768 -2.890 1.00 0.32 C ATOM 88 HA PRO A 6 8.372 -0.190 -2.612 1.00 0.37 H ATOM 89 HB2 PRO A 6 8.689 -3.027 -1.926 1.00 0.39 H ATOM 90 HB3 PRO A 6 7.908 -2.294 -3.328 1.00 0.49 H ATOM 91 HG2 PRO A 6 10.249 -3.608 -3.512 1.00 0.42 H ATOM 92 HG3 PRO A 6 9.856 -2.221 -4.541 1.00 0.48 H ATOM 93 HD2 PRO A 6 11.616 -2.355 -2.129 1.00 0.30 H ATOM 94 HD3 PRO A 6 11.824 -1.445 -3.636 1.00 0.40 H ATOM 95 N LEU A 7 9.621 -0.852 0.247 1.00 0.19 N ATOM 96 CA LEU A 7 9.385 -0.808 1.678 1.00 0.23 C ATOM 97 C LEU A 7 8.740 0.514 2.055 1.00 0.24 C ATOM 98 O LEU A 7 7.762 0.543 2.790 1.00 0.35 O ATOM 99 CB LEU A 7 10.697 -1.026 2.447 1.00 0.27 C ATOM 100 CG LEU A 7 10.610 -0.946 3.975 1.00 0.45 C ATOM 101 CD1 LEU A 7 11.615 -1.897 4.600 1.00 0.69 C ATOM 102 CD2 LEU A 7 10.873 0.473 4.460 1.00 0.68 C ATOM 103 H LEU A 7 10.538 -0.803 -0.089 1.00 0.15 H ATOM 104 HA LEU A 7 8.699 -1.605 1.920 1.00 0.31 H ATOM 105 HB2 LEU A 7 11.079 -2.001 2.184 1.00 0.25 H ATOM 106 HB3 LEU A 7 11.407 -0.284 2.114 1.00 0.27 H ATOM 107 HG LEU A 7 9.622 -1.238 4.296 1.00 0.66 H ATOM 108 HD11 LEU A 7 11.400 -2.907 4.284 1.00 1.29 H ATOM 109 HD12 LEU A 7 11.550 -1.833 5.676 1.00 1.26 H ATOM 110 HD13 LEU A 7 12.611 -1.626 4.282 1.00 1.30 H ATOM 111 HD21 LEU A 7 11.871 0.773 4.175 1.00 1.29 H ATOM 112 HD22 LEU A 7 10.779 0.509 5.535 1.00 1.26 H ATOM 113 HD23 LEU A 7 10.154 1.144 4.015 1.00 1.28 H ATOM 114 N LEU A 8 9.281 1.609 1.547 1.00 0.18 N ATOM 115 CA LEU A 8 8.718 2.918 1.836 1.00 0.20 C ATOM 116 C LEU A 8 7.694 3.307 0.779 1.00 0.18 C ATOM 117 O LEU A 8 6.518 3.491 1.085 1.00 0.16 O ATOM 118 CB LEU A 8 9.824 3.970 1.920 1.00 0.33 C ATOM 119 CG LEU A 8 9.340 5.405 2.129 1.00 0.36 C ATOM 120 CD1 LEU A 8 8.625 5.542 3.461 1.00 0.61 C ATOM 121 CD2 LEU A 8 10.504 6.379 2.044 1.00 0.66 C ATOM 122 H LEU A 8 10.067 1.536 0.958 1.00 0.19 H ATOM 123 HA LEU A 8 8.213 2.857 2.791 1.00 0.21 H ATOM 124 HB2 LEU A 8 10.476 3.708 2.740 1.00 0.39 H ATOM 125 HB3 LEU A 8 10.394 3.934 1.005 1.00 0.37 H ATOM 126 HG LEU A 8 8.638 5.653 1.349 1.00 0.53 H ATOM 127 HD11 LEU A 8 8.298 6.563 3.590 1.00 1.23 H ATOM 128 HD12 LEU A 8 9.299 5.275 4.262 1.00 1.28 H ATOM 129 HD13 LEU A 8 7.767 4.885 3.476 1.00 1.21 H ATOM 130 HD21 LEU A 8 10.954 6.318 1.064 1.00 1.30 H ATOM 131 HD22 LEU A 8 11.239 6.127 2.793 1.00 1.24 H ATOM 132 HD23 LEU A 8 10.146 7.383 2.214 1.00 1.28 H ATOM 133 N ALA A 9 8.147 3.403 -0.464 1.00 0.28 N ATOM 134 CA ALA A 9 7.283 3.788 -1.572 1.00 0.38 C ATOM 135 C ALA A 9 6.133 2.805 -1.725 1.00 0.38 C ATOM 136 O ALA A 9 4.980 3.196 -1.918 1.00 0.44 O ATOM 137 CB ALA A 9 8.090 3.855 -2.854 1.00 0.51 C ATOM 138 H ALA A 9 9.095 3.215 -0.643 1.00 0.32 H ATOM 139 HA ALA A 9 6.886 4.770 -1.366 1.00 0.40 H ATOM 140 HB1 ALA A 9 8.835 4.630 -2.769 1.00 1.20 H ATOM 141 HB2 ALA A 9 7.434 4.071 -3.684 1.00 1.12 H ATOM 142 HB3 ALA A 9 8.578 2.905 -3.016 1.00 1.13 H ATOM 143 N GLY A 10 6.458 1.528 -1.617 1.00 0.35 N ATOM 144 CA GLY A 10 5.457 0.493 -1.737 1.00 0.45 C ATOM 145 C GLY A 10 4.435 0.554 -0.622 1.00 0.41 C ATOM 146 O GLY A 10 3.235 0.544 -0.875 1.00 0.52 O ATOM 147 H GLY A 10 7.392 1.286 -1.455 1.00 0.31 H ATOM 148 HA2 GLY A 10 4.954 0.606 -2.683 1.00 0.55 H ATOM 149 HA3 GLY A 10 5.946 -0.469 -1.712 1.00 0.48 H ATOM 150 N LEU A 11 4.913 0.660 0.614 1.00 0.29 N ATOM 151 CA LEU A 11 4.041 0.674 1.787 1.00 0.31 C ATOM 152 C LEU A 11 3.172 1.922 1.846 1.00 0.23 C ATOM 153 O LEU A 11 2.336 2.069 2.741 1.00 0.22 O ATOM 154 CB LEU A 11 4.875 0.561 3.057 1.00 0.35 C ATOM 155 CG LEU A 11 4.946 -0.845 3.652 1.00 0.53 C ATOM 156 CD1 LEU A 11 3.586 -1.281 4.176 1.00 0.65 C ATOM 157 CD2 LEU A 11 5.447 -1.825 2.608 1.00 0.57 C ATOM 158 H LEU A 11 5.885 0.724 0.748 1.00 0.23 H ATOM 159 HA LEU A 11 3.397 -0.192 1.723 1.00 0.43 H ATOM 160 HB2 LEU A 11 5.881 0.880 2.819 1.00 0.28 H ATOM 161 HB3 LEU A 11 4.475 1.232 3.797 1.00 0.37 H ATOM 162 HG LEU A 11 5.642 -0.848 4.478 1.00 0.59 H ATOM 163 HD11 LEU A 11 2.873 -1.289 3.366 1.00 1.25 H ATOM 164 HD12 LEU A 11 3.256 -0.592 4.939 1.00 1.20 H ATOM 165 HD13 LEU A 11 3.663 -2.272 4.597 1.00 1.22 H ATOM 166 HD21 LEU A 11 4.806 -1.781 1.740 1.00 1.16 H ATOM 167 HD22 LEU A 11 5.433 -2.824 3.015 1.00 1.17 H ATOM 168 HD23 LEU A 11 6.455 -1.561 2.324 1.00 1.19 H ATOM 169 N MET A 12 3.375 2.824 0.906 1.00 0.21 N ATOM 170 CA MET A 12 2.536 4.002 0.803 1.00 0.18 C ATOM 171 C MET A 12 1.349 3.742 -0.115 1.00 0.17 C ATOM 172 O MET A 12 0.198 3.710 0.325 1.00 0.17 O ATOM 173 CB MET A 12 3.342 5.177 0.255 1.00 0.21 C ATOM 174 CG MET A 12 4.432 5.663 1.197 1.00 0.24 C ATOM 175 SD MET A 12 3.786 6.156 2.807 1.00 1.46 S ATOM 176 CE MET A 12 5.295 6.643 3.634 1.00 2.10 C ATOM 177 H MET A 12 4.113 2.693 0.274 1.00 0.22 H ATOM 178 HA MET A 12 2.174 4.248 1.790 1.00 0.19 H ATOM 179 HB2 MET A 12 3.807 4.867 -0.675 1.00 0.23 H ATOM 180 HB3 MET A 12 2.671 6.000 0.056 1.00 0.22 H ATOM 181 HG2 MET A 12 5.147 4.866 1.343 1.00 0.82 H ATOM 182 HG3 MET A 12 4.927 6.510 0.747 1.00 0.85 H ATOM 183 HE1 MET A 12 5.761 7.451 3.090 1.00 2.56 H ATOM 184 HE2 MET A 12 5.970 5.801 3.675 1.00 2.58 H ATOM 185 HE3 MET A 12 5.068 6.969 4.637 1.00 2.52 H ATOM 186 N SER A 13 1.644 3.487 -1.376 1.00 0.19 N ATOM 187 CA SER A 13 0.616 3.430 -2.406 1.00 0.22 C ATOM 188 C SER A 13 -0.013 2.043 -2.509 1.00 0.19 C ATOM 189 O SER A 13 -1.218 1.918 -2.733 1.00 0.22 O ATOM 190 CB SER A 13 1.230 3.828 -3.745 1.00 0.32 C ATOM 191 OG SER A 13 2.014 5.004 -3.608 1.00 1.27 O ATOM 192 H SER A 13 2.584 3.351 -1.630 1.00 0.22 H ATOM 193 HA SER A 13 -0.155 4.142 -2.147 1.00 0.24 H ATOM 194 HB2 SER A 13 1.860 3.028 -4.103 1.00 1.07 H ATOM 195 HB3 SER A 13 0.442 4.016 -4.459 1.00 1.01 H ATOM 196 HG SER A 13 1.677 5.687 -4.202 1.00 1.76 H ATOM 197 N LEU A 14 0.796 1.009 -2.320 1.00 0.21 N ATOM 198 CA LEU A 14 0.344 -0.363 -2.514 1.00 0.24 C ATOM 199 C LEU A 14 -0.792 -0.730 -1.558 1.00 0.21 C ATOM 200 O LEU A 14 -1.867 -1.108 -2.014 1.00 0.27 O ATOM 201 CB LEU A 14 1.510 -1.352 -2.381 1.00 0.30 C ATOM 202 CG LEU A 14 2.419 -1.489 -3.613 1.00 0.37 C ATOM 203 CD1 LEU A 14 1.678 -2.179 -4.748 1.00 0.95 C ATOM 204 CD2 LEU A 14 2.927 -0.129 -4.072 1.00 0.83 C ATOM 205 H LEU A 14 1.721 1.166 -2.031 1.00 0.24 H ATOM 206 HA LEU A 14 -0.039 -0.426 -3.522 1.00 0.27 H ATOM 207 HB2 LEU A 14 2.121 -1.040 -1.549 1.00 0.29 H ATOM 208 HB3 LEU A 14 1.102 -2.323 -2.157 1.00 0.34 H ATOM 209 HG LEU A 14 3.275 -2.097 -3.355 1.00 0.79 H ATOM 210 HD11 LEU A 14 1.348 -3.155 -4.422 1.00 1.52 H ATOM 211 HD12 LEU A 14 2.338 -2.286 -5.595 1.00 1.53 H ATOM 212 HD13 LEU A 14 0.822 -1.586 -5.032 1.00 1.53 H ATOM 213 HD21 LEU A 14 2.149 0.373 -4.626 1.00 1.40 H ATOM 214 HD22 LEU A 14 3.795 -0.258 -4.699 1.00 1.45 H ATOM 215 HD23 LEU A 14 3.188 0.467 -3.207 1.00 1.47 H ATOM 216 N PRO A 15 -0.622 -0.587 -0.223 1.00 0.20 N ATOM 217 CA PRO A 15 -1.661 -0.988 0.704 1.00 0.23 C ATOM 218 C PRO A 15 -2.757 0.060 0.773 1.00 0.20 C ATOM 219 O PRO A 15 -3.852 -0.211 1.249 1.00 0.30 O ATOM 220 CB PRO A 15 -0.933 -1.117 2.039 1.00 0.32 C ATOM 221 CG PRO A 15 0.219 -0.178 1.947 1.00 0.31 C ATOM 222 CD PRO A 15 0.531 0.010 0.480 1.00 0.24 C ATOM 223 HA PRO A 15 -2.089 -1.940 0.429 1.00 0.26 H ATOM 224 HB2 PRO A 15 -1.603 -0.843 2.843 1.00 0.36 H ATOM 225 HB3 PRO A 15 -0.600 -2.136 2.174 1.00 0.39 H ATOM 226 HG2 PRO A 15 -0.047 0.769 2.392 1.00 0.34 H ATOM 227 HG3 PRO A 15 1.073 -0.599 2.457 1.00 0.40 H ATOM 228 HD2 PRO A 15 0.606 1.065 0.252 1.00 0.25 H ATOM 229 HD3 PRO A 15 1.448 -0.499 0.223 1.00 0.32 H ATOM 230 N PHE A 16 -2.447 1.260 0.288 1.00 0.16 N ATOM 231 CA PHE A 16 -3.418 2.338 0.221 1.00 0.22 C ATOM 232 C PHE A 16 -4.463 2.046 -0.849 1.00 0.22 C ATOM 233 O PHE A 16 -5.657 1.950 -0.559 1.00 0.32 O ATOM 234 CB PHE A 16 -2.706 3.650 -0.090 1.00 0.29 C ATOM 235 CG PHE A 16 -3.446 4.861 0.373 1.00 0.43 C ATOM 236 CD1 PHE A 16 -4.272 5.558 -0.489 1.00 0.57 C ATOM 237 CD2 PHE A 16 -3.313 5.296 1.675 1.00 0.76 C ATOM 238 CE1 PHE A 16 -4.957 6.675 -0.055 1.00 0.80 C ATOM 239 CE2 PHE A 16 -3.993 6.412 2.119 1.00 1.01 C ATOM 240 CZ PHE A 16 -4.817 7.105 1.251 1.00 0.98 C ATOM 241 H PHE A 16 -1.526 1.431 -0.018 1.00 0.17 H ATOM 242 HA PHE A 16 -3.909 2.415 1.179 1.00 0.30 H ATOM 243 HB2 PHE A 16 -1.739 3.650 0.391 1.00 0.45 H ATOM 244 HB3 PHE A 16 -2.569 3.732 -1.159 1.00 0.40 H ATOM 245 HD1 PHE A 16 -4.374 5.221 -1.509 1.00 0.71 H ATOM 246 HD2 PHE A 16 -2.664 4.750 2.348 1.00 0.91 H ATOM 247 HE1 PHE A 16 -5.599 7.213 -0.736 1.00 0.97 H ATOM 248 HE2 PHE A 16 -3.881 6.744 3.141 1.00 1.32 H ATOM 249 HZ PHE A 16 -5.351 7.979 1.594 1.00 1.21 H ATOM 250 N LEU A 17 -4.001 1.882 -2.085 1.00 0.22 N ATOM 251 CA LEU A 17 -4.889 1.646 -3.214 1.00 0.33 C ATOM 252 C LEU A 17 -5.637 0.332 -3.061 1.00 0.33 C ATOM 253 O LEU A 17 -6.839 0.266 -3.304 1.00 0.44 O ATOM 254 CB LEU A 17 -4.100 1.656 -4.527 1.00 0.45 C ATOM 255 CG LEU A 17 -3.969 3.022 -5.216 1.00 1.03 C ATOM 256 CD1 LEU A 17 -5.340 3.550 -5.616 1.00 1.93 C ATOM 257 CD2 LEU A 17 -3.253 4.021 -4.321 1.00 1.50 C ATOM 258 H LEU A 17 -3.031 1.916 -2.242 1.00 0.22 H ATOM 259 HA LEU A 17 -5.608 2.449 -3.235 1.00 0.43 H ATOM 260 HB2 LEU A 17 -3.106 1.285 -4.324 1.00 0.63 H ATOM 261 HB3 LEU A 17 -4.581 0.979 -5.211 1.00 0.90 H ATOM 262 HG LEU A 17 -3.386 2.904 -6.118 1.00 1.42 H ATOM 263 HD11 LEU A 17 -5.818 2.843 -6.277 1.00 2.42 H ATOM 264 HD12 LEU A 17 -5.227 4.496 -6.121 1.00 2.41 H ATOM 265 HD13 LEU A 17 -5.947 3.685 -4.733 1.00 2.41 H ATOM 266 HD21 LEU A 17 -3.814 4.153 -3.407 1.00 1.95 H ATOM 267 HD22 LEU A 17 -3.171 4.968 -4.832 1.00 2.00 H ATOM 268 HD23 LEU A 17 -2.266 3.652 -4.086 1.00 1.99 H ATOM 269 N GLN A 18 -4.930 -0.706 -2.640 1.00 0.30 N ATOM 270 CA GLN A 18 -5.542 -2.016 -2.451 1.00 0.40 C ATOM 271 C GLN A 18 -6.566 -1.986 -1.316 1.00 0.46 C ATOM 272 O GLN A 18 -7.550 -2.730 -1.332 1.00 0.56 O ATOM 273 CB GLN A 18 -4.467 -3.065 -2.169 1.00 0.48 C ATOM 274 CG GLN A 18 -3.517 -3.286 -3.336 1.00 0.66 C ATOM 275 CD GLN A 18 -2.332 -4.159 -2.971 1.00 1.28 C ATOM 276 OE1 GLN A 18 -2.423 -5.027 -2.104 1.00 2.28 O ATOM 277 NE2 GLN A 18 -1.211 -3.934 -3.636 1.00 1.17 N ATOM 278 H GLN A 18 -3.970 -0.593 -2.461 1.00 0.27 H ATOM 279 HA GLN A 18 -6.050 -2.275 -3.367 1.00 0.47 H ATOM 280 HB2 GLN A 18 -3.888 -2.748 -1.314 1.00 0.54 H ATOM 281 HB3 GLN A 18 -4.948 -4.002 -1.940 1.00 0.64 H ATOM 282 HG2 GLN A 18 -4.060 -3.761 -4.139 1.00 1.02 H ATOM 283 HG3 GLN A 18 -3.150 -2.327 -3.670 1.00 1.38 H ATOM 284 HE21 GLN A 18 -1.214 -3.231 -4.320 1.00 0.85 H ATOM 285 HE22 GLN A 18 -0.425 -4.477 -3.421 1.00 1.83 H ATOM 286 N HIS A 19 -6.348 -1.107 -0.344 1.00 0.46 N ATOM 287 CA HIS A 19 -7.260 -0.992 0.787 1.00 0.61 C ATOM 288 C HIS A 19 -8.562 -0.350 0.349 1.00 0.67 C ATOM 289 O HIS A 19 -9.634 -0.840 0.668 1.00 0.82 O ATOM 290 CB HIS A 19 -6.647 -0.160 1.911 1.00 0.71 C ATOM 291 CG HIS A 19 -7.320 -0.337 3.238 1.00 0.90 C ATOM 292 ND1 HIS A 19 -8.615 0.065 3.501 1.00 1.24 N ATOM 293 CD2 HIS A 19 -6.862 -0.889 4.386 1.00 1.01 C ATOM 294 CE1 HIS A 19 -8.918 -0.229 4.750 1.00 1.42 C ATOM 295 NE2 HIS A 19 -7.873 -0.809 5.307 1.00 1.29 N ATOM 296 H HIS A 19 -5.561 -0.525 -0.389 1.00 0.42 H ATOM 297 HA HIS A 19 -7.465 -1.986 1.153 1.00 0.67 H ATOM 298 HB2 HIS A 19 -5.610 -0.436 2.028 1.00 0.75 H ATOM 299 HB3 HIS A 19 -6.707 0.886 1.647 1.00 0.79 H ATOM 300 HD1 HIS A 19 -9.227 0.499 2.861 1.00 1.42 H ATOM 301 HD2 HIS A 19 -5.878 -1.310 4.545 1.00 1.06 H ATOM 302 HE1 HIS A 19 -9.864 -0.034 5.232 1.00 1.72 H ATOM 303 HE2 HIS A 19 -7.876 -1.250 6.188 1.00 1.48 H ATOM 304 N LYS A 20 -8.464 0.739 -0.402 1.00 0.65 N ATOM 305 CA LYS A 20 -9.647 1.490 -0.803 1.00 0.81 C ATOM 306 C LYS A 20 -10.324 0.813 -1.981 1.00 0.82 C ATOM 307 O LYS A 20 -11.459 1.129 -2.338 1.00 0.98 O ATOM 308 CB LYS A 20 -9.283 2.936 -1.144 1.00 0.97 C ATOM 309 CG LYS A 20 -8.172 3.065 -2.173 1.00 0.98 C ATOM 310 CD LYS A 20 -7.803 4.515 -2.425 1.00 1.26 C ATOM 311 CE LYS A 20 -8.982 5.313 -2.956 1.00 1.81 C ATOM 312 NZ LYS A 20 -8.610 6.720 -3.253 1.00 2.38 N ATOM 313 H LYS A 20 -7.580 1.031 -0.713 1.00 0.60 H ATOM 314 HA LYS A 20 -10.330 1.490 0.032 1.00 0.91 H ATOM 315 HB2 LYS A 20 -10.160 3.429 -1.532 1.00 1.52 H ATOM 316 HB3 LYS A 20 -8.967 3.438 -0.242 1.00 1.46 H ATOM 317 HG2 LYS A 20 -7.299 2.540 -1.811 1.00 1.41 H ATOM 318 HG3 LYS A 20 -8.499 2.625 -3.098 1.00 1.49 H ATOM 319 HD2 LYS A 20 -7.476 4.948 -1.499 1.00 1.62 H ATOM 320 HD3 LYS A 20 -7.000 4.552 -3.145 1.00 1.69 H ATOM 321 HE2 LYS A 20 -9.339 4.847 -3.861 1.00 2.31 H ATOM 322 HE3 LYS A 20 -9.768 5.307 -2.216 1.00 2.26 H ATOM 323 HZ1 LYS A 20 -7.910 6.748 -3.967 1.00 2.71 H ATOM 324 HZ2 LYS A 20 -8.251 7.163 -2.434 1.00 2.79 H ATOM 325 HZ3 LYS A 20 -9.412 7.228 -3.566 1.00 2.74 H ATOM 326 N LEU A 21 -9.606 -0.122 -2.580 1.00 0.74 N ATOM 327 CA LEU A 21 -10.139 -0.939 -3.650 1.00 0.86 C ATOM 328 C LEU A 21 -11.178 -1.910 -3.095 1.00 0.96 C ATOM 329 O LEU A 21 -12.132 -2.286 -3.778 1.00 1.14 O ATOM 330 CB LEU A 21 -9.000 -1.714 -4.306 1.00 0.84 C ATOM 331 CG LEU A 21 -9.304 -2.293 -5.688 1.00 1.10 C ATOM 332 CD1 LEU A 21 -9.490 -1.180 -6.706 1.00 1.65 C ATOM 333 CD2 LEU A 21 -8.199 -3.241 -6.124 1.00 1.80 C ATOM 334 H LEU A 21 -8.674 -0.252 -2.305 1.00 0.66 H ATOM 335 HA LEU A 21 -10.602 -0.292 -4.378 1.00 0.99 H ATOM 336 HB2 LEU A 21 -8.148 -1.051 -4.387 1.00 0.79 H ATOM 337 HB3 LEU A 21 -8.732 -2.531 -3.652 1.00 0.80 H ATOM 338 HG LEU A 21 -10.226 -2.854 -5.638 1.00 1.61 H ATOM 339 HD11 LEU A 21 -9.638 -1.611 -7.684 1.00 2.13 H ATOM 340 HD12 LEU A 21 -8.611 -0.552 -6.717 1.00 2.12 H ATOM 341 HD13 LEU A 21 -10.352 -0.588 -6.440 1.00 2.18 H ATOM 342 HD21 LEU A 21 -8.425 -3.628 -7.106 1.00 2.31 H ATOM 343 HD22 LEU A 21 -8.129 -4.059 -5.422 1.00 2.31 H ATOM 344 HD23 LEU A 21 -7.259 -2.711 -6.153 1.00 2.27 H ATOM 345 N THR A 22 -10.979 -2.314 -1.848 1.00 0.92 N ATOM 346 CA THR A 22 -11.880 -3.244 -1.191 1.00 1.10 C ATOM 347 C THR A 22 -12.755 -2.543 -0.153 1.00 1.19 C ATOM 348 O THR A 22 -13.948 -2.829 -0.035 1.00 1.44 O ATOM 349 CB THR A 22 -11.085 -4.378 -0.520 1.00 1.19 C ATOM 350 OG1 THR A 22 -9.961 -3.833 0.193 1.00 1.81 O ATOM 351 CG2 THR A 22 -10.600 -5.381 -1.558 1.00 1.51 C ATOM 352 H THR A 22 -10.198 -1.980 -1.356 1.00 0.84 H ATOM 353 HA THR A 22 -12.516 -3.681 -1.946 1.00 1.23 H ATOM 354 HB THR A 22 -11.731 -4.888 0.178 1.00 1.62 H ATOM 355 HG1 THR A 22 -9.164 -3.924 -0.346 1.00 2.30 H ATOM 356 HG21 THR A 22 -9.953 -4.883 -2.265 1.00 1.97 H ATOM 357 HG22 THR A 22 -11.449 -5.798 -2.078 1.00 2.04 H ATOM 358 HG23 THR A 22 -10.055 -6.172 -1.066 1.00 1.95 H ATOM 359 N ASN A 23 -12.162 -1.622 0.591 1.00 1.13 N ATOM 360 CA ASN A 23 -12.863 -0.927 1.659 1.00 1.33 C ATOM 361 C ASN A 23 -12.364 0.508 1.775 1.00 1.94 C ATOM 362 O ASN A 23 -11.345 0.737 2.459 1.00 2.64 O ATOM 363 CB ASN A 23 -12.664 -1.662 2.987 1.00 1.97 C ATOM 364 CG ASN A 23 -13.352 -0.970 4.148 1.00 2.54 C ATOM 365 OD1 ASN A 23 -14.375 -0.308 3.976 1.00 3.05 O ATOM 366 ND2 ASN A 23 -12.804 -1.131 5.340 1.00 3.13 N ATOM 367 OXT ASN A 23 -12.992 1.406 1.175 1.00 2.58 O ATOM 368 H ASN A 23 -11.221 -1.396 0.417 1.00 1.07 H ATOM 369 HA ASN A 23 -13.913 -0.914 1.415 1.00 1.77 H ATOM 370 HB2 ASN A 23 -13.064 -2.661 2.901 1.00 2.48 H ATOM 371 HB3 ASN A 23 -11.607 -1.719 3.203 1.00 2.44 H ATOM 372 HD21 ASN A 23 -11.994 -1.683 5.409 1.00 3.26 H ATOM 373 HD22 ASN A 23 -13.228 -0.692 6.111 1.00 3.71 H TER 374 ASN A 23 ENDMDL MODEL 11 ATOM 1 N VAL A 1 5.849 -7.166 1.511 1.00 1.27 N ATOM 2 CA VAL A 1 5.683 -5.987 0.629 1.00 1.06 C ATOM 3 C VAL A 1 6.609 -4.859 1.080 1.00 0.70 C ATOM 4 O VAL A 1 6.262 -3.683 1.030 1.00 1.03 O ATOM 5 CB VAL A 1 4.211 -5.497 0.626 1.00 1.23 C ATOM 6 CG1 VAL A 1 3.953 -4.468 -0.472 1.00 1.80 C ATOM 7 CG2 VAL A 1 3.260 -6.672 0.478 1.00 1.58 C ATOM 8 H1 VAL A 1 6.793 -7.488 1.480 1.00 1.67 H ATOM 9 H2 VAL A 1 5.249 -7.906 1.214 1.00 1.64 H ATOM 10 H3 VAL A 1 5.618 -6.925 2.454 1.00 1.65 H ATOM 11 HA VAL A 1 5.956 -6.273 -0.372 1.00 1.35 H ATOM 12 HB VAL A 1 4.018 -5.027 1.577 1.00 1.79 H ATOM 13 HG11 VAL A 1 4.590 -3.609 -0.316 1.00 2.29 H ATOM 14 HG12 VAL A 1 2.918 -4.157 -0.438 1.00 2.21 H ATOM 15 HG13 VAL A 1 4.167 -4.906 -1.435 1.00 2.30 H ATOM 16 HG21 VAL A 1 2.243 -6.310 0.448 1.00 2.05 H ATOM 17 HG22 VAL A 1 3.379 -7.340 1.318 1.00 2.00 H ATOM 18 HG23 VAL A 1 3.480 -7.201 -0.436 1.00 2.09 H ATOM 19 N LEU A 2 7.805 -5.221 1.517 1.00 0.51 N ATOM 20 CA LEU A 2 8.754 -4.226 2.006 1.00 0.77 C ATOM 21 C LEU A 2 10.201 -4.727 1.995 1.00 0.48 C ATOM 22 O LEU A 2 10.796 -5.042 3.025 1.00 0.60 O ATOM 23 CB LEU A 2 8.362 -3.721 3.390 1.00 1.37 C ATOM 24 CG LEU A 2 8.412 -4.723 4.555 1.00 2.23 C ATOM 25 CD1 LEU A 2 8.356 -3.984 5.881 1.00 3.06 C ATOM 26 CD2 LEU A 2 7.269 -5.723 4.480 1.00 2.69 C ATOM 27 H LEU A 2 8.059 -6.165 1.488 1.00 0.74 H ATOM 28 HA LEU A 2 8.697 -3.391 1.322 1.00 1.13 H ATOM 29 HB2 LEU A 2 9.012 -2.900 3.623 1.00 1.34 H ATOM 30 HB3 LEU A 2 7.356 -3.344 3.314 1.00 1.54 H ATOM 31 HG LEU A 2 9.344 -5.269 4.515 1.00 2.48 H ATOM 32 HD11 LEU A 2 7.439 -3.415 5.937 1.00 3.41 H ATOM 33 HD12 LEU A 2 9.200 -3.315 5.956 1.00 3.47 H ATOM 34 HD13 LEU A 2 8.387 -4.696 6.692 1.00 3.48 H ATOM 35 HD21 LEU A 2 7.329 -6.269 3.550 1.00 3.03 H ATOM 36 HD22 LEU A 2 6.327 -5.198 4.529 1.00 3.01 H ATOM 37 HD23 LEU A 2 7.341 -6.413 5.307 1.00 3.05 H ATOM 38 N PRO A 3 10.771 -4.788 0.798 1.00 0.32 N ATOM 39 CA PRO A 3 12.152 -5.193 0.562 1.00 0.25 C ATOM 40 C PRO A 3 13.142 -4.046 0.795 1.00 0.28 C ATOM 41 O PRO A 3 14.105 -4.192 1.550 1.00 0.49 O ATOM 42 CB PRO A 3 12.142 -5.613 -0.922 1.00 0.45 C ATOM 43 CG PRO A 3 10.718 -5.465 -1.377 1.00 0.63 C ATOM 44 CD PRO A 3 10.090 -4.480 -0.437 1.00 0.54 C ATOM 45 HA PRO A 3 12.428 -6.037 1.176 1.00 0.36 H ATOM 46 HB2 PRO A 3 12.802 -4.968 -1.484 1.00 0.67 H ATOM 47 HB3 PRO A 3 12.476 -6.636 -1.009 1.00 0.55 H ATOM 48 HG2 PRO A 3 10.693 -5.088 -2.388 1.00 0.89 H ATOM 49 HG3 PRO A 3 10.213 -6.417 -1.318 1.00 0.97 H ATOM 50 HD2 PRO A 3 10.292 -3.467 -0.744 1.00 0.65 H ATOM 51 HD3 PRO A 3 9.023 -4.644 -0.325 1.00 0.82 H ATOM 52 N ALA A 4 12.885 -2.903 0.154 1.00 0.18 N ATOM 53 CA ALA A 4 13.740 -1.722 0.282 1.00 0.22 C ATOM 54 C ALA A 4 13.028 -0.479 -0.256 1.00 0.19 C ATOM 55 O ALA A 4 12.497 0.323 0.508 1.00 0.21 O ATOM 56 CB ALA A 4 15.062 -1.938 -0.442 1.00 0.30 C ATOM 57 H ALA A 4 12.100 -2.854 -0.423 1.00 0.21 H ATOM 58 HA ALA A 4 13.949 -1.578 1.332 1.00 0.27 H ATOM 59 HB1 ALA A 4 14.873 -2.111 -1.489 1.00 1.08 H ATOM 60 HB2 ALA A 4 15.567 -2.795 -0.021 1.00 1.06 H ATOM 61 HB3 ALA A 4 15.683 -1.061 -0.328 1.00 1.07 H ATOM 62 N LEU A 5 12.993 -0.331 -1.576 1.00 0.23 N ATOM 63 CA LEU A 5 12.255 0.771 -2.190 1.00 0.27 C ATOM 64 C LEU A 5 10.745 0.602 -1.975 1.00 0.24 C ATOM 65 O LEU A 5 10.075 1.544 -1.557 1.00 0.26 O ATOM 66 CB LEU A 5 12.590 0.908 -3.682 1.00 0.41 C ATOM 67 CG LEU A 5 14.020 1.354 -3.991 1.00 1.24 C ATOM 68 CD1 LEU A 5 14.295 1.260 -5.483 1.00 1.89 C ATOM 69 CD2 LEU A 5 14.254 2.774 -3.498 1.00 2.00 C ATOM 70 H LEU A 5 13.477 -0.964 -2.148 1.00 0.28 H ATOM 71 HA LEU A 5 12.562 1.675 -1.685 1.00 0.29 H ATOM 72 HB2 LEU A 5 12.427 -0.043 -4.159 1.00 0.90 H ATOM 73 HB3 LEU A 5 11.913 1.629 -4.115 1.00 0.93 H ATOM 74 HG LEU A 5 14.714 0.702 -3.480 1.00 1.99 H ATOM 75 HD11 LEU A 5 13.603 1.894 -6.017 1.00 2.35 H ATOM 76 HD12 LEU A 5 14.173 0.238 -5.809 1.00 2.40 H ATOM 77 HD13 LEU A 5 15.306 1.583 -5.683 1.00 2.34 H ATOM 78 HD21 LEU A 5 15.264 3.075 -3.734 1.00 2.46 H ATOM 79 HD22 LEU A 5 14.106 2.813 -2.429 1.00 2.45 H ATOM 80 HD23 LEU A 5 13.558 3.442 -3.982 1.00 2.53 H ATOM 81 N PRO A 6 10.173 -0.602 -2.232 1.00 0.27 N ATOM 82 CA PRO A 6 8.770 -0.876 -1.912 1.00 0.31 C ATOM 83 C PRO A 6 8.514 -0.887 -0.404 1.00 0.27 C ATOM 84 O PRO A 6 7.375 -0.973 0.037 1.00 0.36 O ATOM 85 CB PRO A 6 8.504 -2.262 -2.510 1.00 0.39 C ATOM 86 CG PRO A 6 9.635 -2.509 -3.448 1.00 0.40 C ATOM 87 CD PRO A 6 10.807 -1.764 -2.881 1.00 0.32 C ATOM 88 HA PRO A 6 8.117 -0.152 -2.376 1.00 0.37 H ATOM 89 HB2 PRO A 6 8.478 -2.998 -1.720 1.00 0.39 H ATOM 90 HB3 PRO A 6 7.557 -2.256 -3.030 1.00 0.49 H ATOM 91 HG2 PRO A 6 9.850 -3.566 -3.496 1.00 0.42 H ATOM 92 HG3 PRO A 6 9.389 -2.130 -4.428 1.00 0.48 H ATOM 93 HD2 PRO A 6 11.333 -2.372 -2.160 1.00 0.30 H ATOM 94 HD3 PRO A 6 11.468 -1.453 -3.669 1.00 0.40 H ATOM 95 N LEU A 7 9.577 -0.809 0.384 1.00 0.19 N ATOM 96 CA LEU A 7 9.439 -0.748 1.831 1.00 0.23 C ATOM 97 C LEU A 7 8.831 0.589 2.236 1.00 0.24 C ATOM 98 O LEU A 7 7.870 0.635 2.995 1.00 0.35 O ATOM 99 CB LEU A 7 10.799 -0.981 2.507 1.00 0.27 C ATOM 100 CG LEU A 7 10.814 -0.946 4.040 1.00 0.45 C ATOM 101 CD1 LEU A 7 11.893 -1.873 4.570 1.00 0.69 C ATOM 102 CD2 LEU A 7 11.066 0.466 4.543 1.00 0.68 C ATOM 103 H LEU A 7 10.470 -0.773 -0.014 1.00 0.15 H ATOM 104 HA LEU A 7 8.761 -1.535 2.126 1.00 0.31 H ATOM 105 HB2 LEU A 7 11.167 -1.946 2.192 1.00 0.25 H ATOM 106 HB3 LEU A 7 11.482 -0.226 2.149 1.00 0.27 H ATOM 107 HG LEU A 7 9.859 -1.278 4.420 1.00 0.66 H ATOM 108 HD11 LEU A 7 12.855 -1.557 4.197 1.00 1.29 H ATOM 109 HD12 LEU A 7 11.691 -2.882 4.243 1.00 1.26 H ATOM 110 HD13 LEU A 7 11.896 -1.839 5.650 1.00 1.30 H ATOM 111 HD21 LEU A 7 10.333 1.136 4.117 1.00 1.29 H ATOM 112 HD22 LEU A 7 12.056 0.782 4.251 1.00 1.26 H ATOM 113 HD23 LEU A 7 10.985 0.485 5.619 1.00 1.28 H ATOM 114 N LEU A 8 9.379 1.678 1.721 1.00 0.18 N ATOM 115 CA LEU A 8 8.825 2.992 2.011 1.00 0.20 C ATOM 116 C LEU A 8 7.797 3.380 0.962 1.00 0.18 C ATOM 117 O LEU A 8 6.618 3.561 1.270 1.00 0.16 O ATOM 118 CB LEU A 8 9.928 4.045 2.081 1.00 0.33 C ATOM 119 CG LEU A 8 9.426 5.480 2.237 1.00 0.36 C ATOM 120 CD1 LEU A 8 8.603 5.635 3.507 1.00 0.61 C ATOM 121 CD2 LEU A 8 10.589 6.454 2.229 1.00 0.66 C ATOM 122 H LEU A 8 10.159 1.598 1.129 1.00 0.19 H ATOM 123 HA LEU A 8 8.331 2.941 2.967 1.00 0.21 H ATOM 124 HB2 LEU A 8 10.568 3.813 2.920 1.00 0.39 H ATOM 125 HB3 LEU A 8 10.513 3.987 1.175 1.00 0.37 H ATOM 126 HG LEU A 8 8.786 5.714 1.402 1.00 0.53 H ATOM 127 HD11 LEU A 8 9.182 5.304 4.356 1.00 1.23 H ATOM 128 HD12 LEU A 8 7.703 5.041 3.428 1.00 1.28 H ATOM 129 HD13 LEU A 8 8.336 6.673 3.638 1.00 1.21 H ATOM 130 HD21 LEU A 8 11.120 6.374 1.292 1.00 1.30 H ATOM 131 HD22 LEU A 8 11.258 6.221 3.043 1.00 1.24 H ATOM 132 HD23 LEU A 8 10.216 7.461 2.348 1.00 1.28 H ATOM 133 N ALA A 9 8.249 3.473 -0.280 1.00 0.28 N ATOM 134 CA ALA A 9 7.399 3.891 -1.383 1.00 0.38 C ATOM 135 C ALA A 9 6.255 2.910 -1.586 1.00 0.38 C ATOM 136 O ALA A 9 5.132 3.301 -1.912 1.00 0.44 O ATOM 137 CB ALA A 9 8.226 4.005 -2.647 1.00 0.51 C ATOM 138 H ALA A 9 9.187 3.248 -0.463 1.00 0.32 H ATOM 139 HA ALA A 9 6.996 4.865 -1.149 1.00 0.40 H ATOM 140 HB1 ALA A 9 8.983 4.762 -2.513 1.00 1.20 H ATOM 141 HB2 ALA A 9 7.587 4.272 -3.475 1.00 1.12 H ATOM 142 HB3 ALA A 9 8.700 3.054 -2.847 1.00 1.13 H ATOM 143 N GLY A 10 6.549 1.638 -1.370 1.00 0.35 N ATOM 144 CA GLY A 10 5.550 0.607 -1.537 1.00 0.45 C ATOM 145 C GLY A 10 4.534 0.605 -0.416 1.00 0.41 C ATOM 146 O GLY A 10 3.337 0.490 -0.666 1.00 0.52 O ATOM 147 H GLY A 10 7.455 1.399 -1.091 1.00 0.31 H ATOM 148 HA2 GLY A 10 5.042 0.767 -2.474 1.00 0.55 H ATOM 149 HA3 GLY A 10 6.042 -0.355 -1.565 1.00 0.48 H ATOM 150 N LEU A 11 5.005 0.766 0.822 1.00 0.29 N ATOM 151 CA LEU A 11 4.120 0.797 1.992 1.00 0.31 C ATOM 152 C LEU A 11 3.188 1.997 1.955 1.00 0.23 C ATOM 153 O LEU A 11 2.307 2.144 2.802 1.00 0.22 O ATOM 154 CB LEU A 11 4.933 0.827 3.283 1.00 0.35 C ATOM 155 CG LEU A 11 4.931 -0.477 4.079 1.00 0.53 C ATOM 156 CD1 LEU A 11 3.537 -0.782 4.610 1.00 0.65 C ATOM 157 CD2 LEU A 11 5.429 -1.614 3.210 1.00 0.57 C ATOM 158 H LEU A 11 5.977 0.852 0.957 1.00 0.23 H ATOM 159 HA LEU A 11 3.526 -0.104 1.976 1.00 0.43 H ATOM 160 HB2 LEU A 11 5.955 1.069 3.030 1.00 0.28 H ATOM 161 HB3 LEU A 11 4.544 1.611 3.915 1.00 0.37 H ATOM 162 HG LEU A 11 5.598 -0.379 4.921 1.00 0.59 H ATOM 163 HD11 LEU A 11 3.205 0.030 5.239 1.00 1.25 H ATOM 164 HD12 LEU A 11 3.564 -1.696 5.186 1.00 1.20 H ATOM 165 HD13 LEU A 11 2.853 -0.900 3.782 1.00 1.22 H ATOM 166 HD21 LEU A 11 4.834 -1.662 2.309 1.00 1.16 H ATOM 167 HD22 LEU A 11 5.344 -2.546 3.750 1.00 1.17 H ATOM 168 HD23 LEU A 11 6.463 -1.440 2.949 1.00 1.19 H ATOM 169 N MET A 12 3.400 2.858 0.985 1.00 0.21 N ATOM 170 CA MET A 12 2.535 4.004 0.792 1.00 0.18 C ATOM 171 C MET A 12 1.381 3.670 -0.146 1.00 0.17 C ATOM 172 O MET A 12 0.226 3.605 0.271 1.00 0.17 O ATOM 173 CB MET A 12 3.345 5.148 0.196 1.00 0.21 C ATOM 174 CG MET A 12 4.427 5.675 1.122 1.00 0.24 C ATOM 175 SD MET A 12 5.499 6.888 0.329 1.00 1.46 S ATOM 176 CE MET A 12 4.303 8.113 -0.197 1.00 2.10 C ATOM 177 H MET A 12 4.168 2.719 0.392 1.00 0.22 H ATOM 178 HA MET A 12 2.144 4.306 1.751 1.00 0.19 H ATOM 179 HB2 MET A 12 3.815 4.793 -0.714 1.00 0.23 H ATOM 180 HB3 MET A 12 2.676 5.962 -0.046 1.00 0.22 H ATOM 181 HG2 MET A 12 3.958 6.137 1.976 1.00 0.82 H ATOM 182 HG3 MET A 12 5.032 4.843 1.452 1.00 0.85 H ATOM 183 HE1 MET A 12 4.816 8.935 -0.674 1.00 2.56 H ATOM 184 HE2 MET A 12 3.759 8.477 0.661 1.00 2.58 H ATOM 185 HE3 MET A 12 3.614 7.665 -0.898 1.00 2.52 H ATOM 186 N SER A 13 1.716 3.371 -1.391 1.00 0.19 N ATOM 187 CA SER A 13 0.715 3.243 -2.443 1.00 0.22 C ATOM 188 C SER A 13 0.084 1.856 -2.495 1.00 0.19 C ATOM 189 O SER A 13 -1.110 1.724 -2.766 1.00 0.22 O ATOM 190 CB SER A 13 1.343 3.590 -3.789 1.00 0.32 C ATOM 191 OG SER A 13 2.684 3.133 -3.857 1.00 1.27 O ATOM 192 H SER A 13 2.663 3.247 -1.616 1.00 0.22 H ATOM 193 HA SER A 13 -0.063 3.961 -2.235 1.00 0.24 H ATOM 194 HB2 SER A 13 0.776 3.122 -4.581 1.00 1.07 H ATOM 195 HB3 SER A 13 1.333 4.660 -3.924 1.00 1.01 H ATOM 196 HG SER A 13 3.228 3.822 -4.264 1.00 1.76 H ATOM 197 N LEU A 14 0.873 0.830 -2.220 1.00 0.21 N ATOM 198 CA LEU A 14 0.407 -0.544 -2.345 1.00 0.24 C ATOM 199 C LEU A 14 -0.741 -0.846 -1.376 1.00 0.21 C ATOM 200 O LEU A 14 -1.804 -1.284 -1.810 1.00 0.27 O ATOM 201 CB LEU A 14 1.564 -1.532 -2.157 1.00 0.30 C ATOM 202 CG LEU A 14 2.476 -1.731 -3.376 1.00 0.37 C ATOM 203 CD1 LEU A 14 1.712 -2.401 -4.508 1.00 0.95 C ATOM 204 CD2 LEU A 14 3.059 -0.404 -3.846 1.00 0.83 C ATOM 205 H LEU A 14 1.791 0.994 -1.917 1.00 0.24 H ATOM 206 HA LEU A 14 0.026 -0.656 -3.350 1.00 0.27 H ATOM 207 HB2 LEU A 14 2.173 -1.182 -1.337 1.00 0.29 H ATOM 208 HB3 LEU A 14 1.150 -2.487 -1.887 1.00 0.34 H ATOM 209 HG LEU A 14 3.297 -2.379 -3.101 1.00 0.79 H ATOM 210 HD11 LEU A 14 1.324 -3.349 -4.168 1.00 1.52 H ATOM 211 HD12 LEU A 14 2.378 -2.563 -5.343 1.00 1.53 H ATOM 212 HD13 LEU A 14 0.896 -1.766 -4.817 1.00 1.53 H ATOM 213 HD21 LEU A 14 3.892 -0.588 -4.507 1.00 1.40 H ATOM 214 HD22 LEU A 14 3.389 0.169 -2.991 1.00 1.45 H ATOM 215 HD23 LEU A 14 2.298 0.152 -4.373 1.00 1.47 H ATOM 216 N PRO A 15 -0.590 -0.589 -0.061 1.00 0.20 N ATOM 217 CA PRO A 15 -1.665 -0.849 0.875 1.00 0.23 C ATOM 218 C PRO A 15 -2.707 0.258 0.839 1.00 0.20 C ATOM 219 O PRO A 15 -3.750 0.155 1.470 1.00 0.30 O ATOM 220 CB PRO A 15 -0.973 -0.891 2.229 1.00 0.32 C ATOM 221 CG PRO A 15 0.241 -0.043 2.077 1.00 0.31 C ATOM 222 CD PRO A 15 0.595 -0.021 0.610 1.00 0.24 C ATOM 223 HA PRO A 15 -2.137 -1.800 0.676 1.00 0.26 H ATOM 224 HB2 PRO A 15 -1.638 -0.494 2.982 1.00 0.36 H ATOM 225 HB3 PRO A 15 -0.713 -1.910 2.472 1.00 0.39 H ATOM 226 HG2 PRO A 15 0.029 0.959 2.419 1.00 0.34 H ATOM 227 HG3 PRO A 15 1.054 -0.465 2.649 1.00 0.40 H ATOM 228 HD2 PRO A 15 0.762 0.998 0.285 1.00 0.25 H ATOM 229 HD3 PRO A 15 1.469 -0.625 0.427 1.00 0.32 H ATOM 230 N PHE A 16 -2.395 1.330 0.119 1.00 0.16 N ATOM 231 CA PHE A 16 -3.330 2.431 -0.070 1.00 0.22 C ATOM 232 C PHE A 16 -4.372 2.071 -1.124 1.00 0.22 C ATOM 233 O PHE A 16 -5.567 2.025 -0.840 1.00 0.32 O ATOM 234 CB PHE A 16 -2.575 3.683 -0.509 1.00 0.29 C ATOM 235 CG PHE A 16 -3.248 4.963 -0.123 1.00 0.43 C ATOM 236 CD1 PHE A 16 -4.159 5.575 -0.967 1.00 0.57 C ATOM 237 CD2 PHE A 16 -2.957 5.557 1.091 1.00 0.76 C ATOM 238 CE1 PHE A 16 -4.770 6.759 -0.603 1.00 0.80 C ATOM 239 CE2 PHE A 16 -3.564 6.739 1.463 1.00 1.01 C ATOM 240 CZ PHE A 16 -4.472 7.341 0.614 1.00 0.98 C ATOM 241 H PHE A 16 -1.499 1.394 -0.278 1.00 0.17 H ATOM 242 HA PHE A 16 -3.824 2.623 0.870 1.00 0.30 H ATOM 243 HB2 PHE A 16 -1.594 3.678 -0.059 1.00 0.45 H ATOM 244 HB3 PHE A 16 -2.472 3.672 -1.584 1.00 0.40 H ATOM 245 HD1 PHE A 16 -4.392 5.118 -1.918 1.00 0.71 H ATOM 246 HD2 PHE A 16 -2.245 5.081 1.752 1.00 0.91 H ATOM 247 HE1 PHE A 16 -5.478 7.228 -1.268 1.00 0.97 H ATOM 248 HE2 PHE A 16 -3.329 7.192 2.415 1.00 1.32 H ATOM 249 HZ PHE A 16 -4.946 8.267 0.901 1.00 1.21 H ATOM 250 N LEU A 17 -3.901 1.804 -2.337 1.00 0.22 N ATOM 251 CA LEU A 17 -4.775 1.501 -3.466 1.00 0.33 C ATOM 252 C LEU A 17 -5.600 0.252 -3.175 1.00 0.33 C ATOM 253 O LEU A 17 -6.824 0.262 -3.312 1.00 0.44 O ATOM 254 CB LEU A 17 -3.933 1.317 -4.742 1.00 0.45 C ATOM 255 CG LEU A 17 -4.683 1.418 -6.086 1.00 1.03 C ATOM 256 CD1 LEU A 17 -5.564 0.202 -6.333 1.00 1.93 C ATOM 257 CD2 LEU A 17 -5.516 2.691 -6.139 1.00 1.50 C ATOM 258 H LEU A 17 -2.932 1.819 -2.481 1.00 0.22 H ATOM 259 HA LEU A 17 -5.444 2.337 -3.600 1.00 0.43 H ATOM 260 HB2 LEU A 17 -3.156 2.068 -4.737 1.00 0.63 H ATOM 261 HB3 LEU A 17 -3.462 0.346 -4.694 1.00 0.90 H ATOM 262 HG LEU A 17 -3.958 1.465 -6.886 1.00 1.42 H ATOM 263 HD11 LEU A 17 -6.068 0.307 -7.282 1.00 2.42 H ATOM 264 HD12 LEU A 17 -6.295 0.122 -5.543 1.00 2.41 H ATOM 265 HD13 LEU A 17 -4.952 -0.688 -6.348 1.00 2.41 H ATOM 266 HD21 LEU A 17 -4.879 3.544 -5.959 1.00 1.95 H ATOM 267 HD22 LEU A 17 -6.287 2.650 -5.385 1.00 2.00 H ATOM 268 HD23 LEU A 17 -5.971 2.782 -7.115 1.00 1.99 H ATOM 269 N GLN A 18 -4.931 -0.816 -2.757 1.00 0.30 N ATOM 270 CA GLN A 18 -5.613 -2.058 -2.421 1.00 0.40 C ATOM 271 C GLN A 18 -6.589 -1.858 -1.264 1.00 0.46 C ATOM 272 O GLN A 18 -7.586 -2.570 -1.156 1.00 0.56 O ATOM 273 CB GLN A 18 -4.601 -3.157 -2.091 1.00 0.48 C ATOM 274 CG GLN A 18 -4.065 -3.883 -3.320 1.00 0.66 C ATOM 275 CD GLN A 18 -3.302 -2.988 -4.277 1.00 1.28 C ATOM 276 OE1 GLN A 18 -3.882 -2.389 -5.183 1.00 2.28 O ATOM 277 NE2 GLN A 18 -1.999 -2.899 -4.096 1.00 1.17 N ATOM 278 H GLN A 18 -3.953 -0.774 -2.687 1.00 0.27 H ATOM 279 HA GLN A 18 -6.177 -2.360 -3.291 1.00 0.47 H ATOM 280 HB2 GLN A 18 -3.766 -2.718 -1.567 1.00 0.54 H ATOM 281 HB3 GLN A 18 -5.074 -3.885 -1.449 1.00 0.64 H ATOM 282 HG2 GLN A 18 -3.407 -4.673 -2.994 1.00 1.02 H ATOM 283 HG3 GLN A 18 -4.902 -4.311 -3.848 1.00 1.38 H ATOM 284 HE21 GLN A 18 -1.597 -3.412 -3.359 1.00 0.85 H ATOM 285 HE22 GLN A 18 -1.484 -2.327 -4.700 1.00 1.83 H ATOM 286 N HIS A 19 -6.315 -0.870 -0.416 1.00 0.46 N ATOM 287 CA HIS A 19 -7.211 -0.538 0.686 1.00 0.61 C ATOM 288 C HIS A 19 -8.502 0.043 0.141 1.00 0.67 C ATOM 289 O HIS A 19 -9.586 -0.291 0.603 1.00 0.82 O ATOM 290 CB HIS A 19 -6.564 0.477 1.628 1.00 0.71 C ATOM 291 CG HIS A 19 -7.269 0.646 2.936 1.00 0.90 C ATOM 292 ND1 HIS A 19 -8.469 1.310 3.081 1.00 1.24 N ATOM 293 CD2 HIS A 19 -6.919 0.232 4.170 1.00 1.01 C ATOM 294 CE1 HIS A 19 -8.825 1.295 4.350 1.00 1.42 C ATOM 295 NE2 HIS A 19 -7.901 0.646 5.033 1.00 1.29 N ATOM 296 H HIS A 19 -5.494 -0.350 -0.538 1.00 0.42 H ATOM 297 HA HIS A 19 -7.430 -1.445 1.230 1.00 0.67 H ATOM 298 HB2 HIS A 19 -5.554 0.161 1.841 1.00 0.75 H ATOM 299 HB3 HIS A 19 -6.536 1.438 1.139 1.00 0.79 H ATOM 300 HD1 HIS A 19 -8.984 1.736 2.359 1.00 1.42 H ATOM 301 HD2 HIS A 19 -6.026 -0.317 4.430 1.00 1.06 H ATOM 302 HE1 HIS A 19 -9.721 1.734 4.761 1.00 1.72 H ATOM 303 HE2 HIS A 19 -7.987 0.365 5.972 1.00 1.48 H ATOM 304 N LYS A 20 -8.374 0.894 -0.869 1.00 0.65 N ATOM 305 CA LYS A 20 -9.521 1.572 -1.450 1.00 0.81 C ATOM 306 C LYS A 20 -10.331 0.579 -2.260 1.00 0.82 C ATOM 307 O LYS A 20 -11.540 0.719 -2.435 1.00 0.98 O ATOM 308 CB LYS A 20 -9.067 2.724 -2.344 1.00 0.97 C ATOM 309 CG LYS A 20 -8.085 3.674 -1.676 1.00 0.98 C ATOM 310 CD LYS A 20 -7.759 4.867 -2.562 1.00 1.26 C ATOM 311 CE LYS A 20 -8.989 5.720 -2.829 1.00 1.81 C ATOM 312 NZ LYS A 20 -8.673 6.900 -3.673 1.00 2.38 N ATOM 313 H LYS A 20 -7.483 1.051 -1.254 1.00 0.60 H ATOM 314 HA LYS A 20 -10.129 1.959 -0.651 1.00 0.91 H ATOM 315 HB2 LYS A 20 -8.596 2.312 -3.220 1.00 1.52 H ATOM 316 HB3 LYS A 20 -9.935 3.290 -2.647 1.00 1.46 H ATOM 317 HG2 LYS A 20 -8.515 4.032 -0.754 1.00 1.41 H ATOM 318 HG3 LYS A 20 -7.167 3.137 -1.465 1.00 1.49 H ATOM 319 HD2 LYS A 20 -7.014 5.473 -2.071 1.00 1.62 H ATOM 320 HD3 LYS A 20 -7.369 4.506 -3.503 1.00 1.69 H ATOM 321 HE2 LYS A 20 -9.729 5.117 -3.334 1.00 2.31 H ATOM 322 HE3 LYS A 20 -9.388 6.060 -1.885 1.00 2.26 H ATOM 323 HZ1 LYS A 20 -7.997 7.479 -3.219 1.00 2.71 H ATOM 324 HZ2 LYS A 20 -9.500 7.440 -3.837 1.00 2.79 H ATOM 325 HZ3 LYS A 20 -8.306 6.603 -4.556 1.00 2.74 H ATOM 326 N LEU A 21 -9.640 -0.444 -2.725 1.00 0.74 N ATOM 327 CA LEU A 21 -10.239 -1.471 -3.548 1.00 0.86 C ATOM 328 C LEU A 21 -10.917 -2.527 -2.677 1.00 0.96 C ATOM 329 O LEU A 21 -11.657 -3.378 -3.170 1.00 1.14 O ATOM 330 CB LEU A 21 -9.155 -2.099 -4.418 1.00 0.84 C ATOM 331 CG LEU A 21 -9.647 -2.771 -5.701 1.00 1.10 C ATOM 332 CD1 LEU A 21 -10.384 -1.773 -6.582 1.00 1.65 C ATOM 333 CD2 LEU A 21 -8.481 -3.385 -6.458 1.00 1.80 C ATOM 334 H LEU A 21 -8.681 -0.500 -2.519 1.00 0.66 H ATOM 335 HA LEU A 21 -10.979 -1.006 -4.180 1.00 0.99 H ATOM 336 HB2 LEU A 21 -8.449 -1.322 -4.681 1.00 0.79 H ATOM 337 HB3 LEU A 21 -8.638 -2.841 -3.827 1.00 0.80 H ATOM 338 HG LEU A 21 -10.336 -3.560 -5.445 1.00 1.61 H ATOM 339 HD11 LEU A 21 -11.267 -1.423 -6.071 1.00 2.13 H ATOM 340 HD12 LEU A 21 -10.669 -2.251 -7.507 1.00 2.12 H ATOM 341 HD13 LEU A 21 -9.735 -0.935 -6.795 1.00 2.18 H ATOM 342 HD21 LEU A 21 -8.845 -3.872 -7.351 1.00 2.31 H ATOM 343 HD22 LEU A 21 -7.985 -4.110 -5.829 1.00 2.31 H ATOM 344 HD23 LEU A 21 -7.781 -2.610 -6.732 1.00 2.27 H ATOM 345 N THR A 22 -10.666 -2.459 -1.377 1.00 0.92 N ATOM 346 CA THR A 22 -11.270 -3.385 -0.432 1.00 1.10 C ATOM 347 C THR A 22 -12.096 -2.631 0.607 1.00 1.19 C ATOM 348 O THR A 22 -12.504 -3.196 1.622 1.00 1.44 O ATOM 349 CB THR A 22 -10.201 -4.242 0.278 1.00 1.19 C ATOM 350 OG1 THR A 22 -9.154 -3.403 0.787 1.00 1.81 O ATOM 351 CG2 THR A 22 -9.611 -5.271 -0.676 1.00 1.51 C ATOM 352 H THR A 22 -10.061 -1.764 -1.041 1.00 0.84 H ATOM 353 HA THR A 22 -11.922 -4.044 -0.985 1.00 1.23 H ATOM 354 HB THR A 22 -10.667 -4.762 1.100 1.00 1.62 H ATOM 355 HG1 THR A 22 -8.599 -3.103 0.051 1.00 2.30 H ATOM 356 HG21 THR A 22 -10.395 -5.916 -1.040 1.00 1.97 H ATOM 357 HG22 THR A 22 -8.872 -5.862 -0.156 1.00 2.04 H ATOM 358 HG23 THR A 22 -9.146 -4.765 -1.508 1.00 1.95 H ATOM 359 N ASN A 23 -12.338 -1.352 0.346 1.00 1.13 N ATOM 360 CA ASN A 23 -13.115 -0.519 1.251 1.00 1.33 C ATOM 361 C ASN A 23 -14.320 0.047 0.514 1.00 1.94 C ATOM 362 O ASN A 23 -15.326 -0.676 0.389 1.00 2.64 O ATOM 363 CB ASN A 23 -12.239 0.613 1.812 1.00 1.97 C ATOM 364 CG ASN A 23 -12.830 1.317 3.028 1.00 2.54 C ATOM 365 OD1 ASN A 23 -12.094 1.736 3.923 1.00 3.05 O ATOM 366 ND2 ASN A 23 -14.143 1.471 3.074 1.00 3.13 N ATOM 367 OXT ASN A 23 -14.263 1.209 0.067 1.00 2.58 O ATOM 368 H ASN A 23 -11.986 -0.959 -0.479 1.00 1.07 H ATOM 369 HA ASN A 23 -13.460 -1.139 2.065 1.00 1.77 H ATOM 370 HB2 ASN A 23 -11.283 0.205 2.096 1.00 2.48 H ATOM 371 HB3 ASN A 23 -12.087 1.350 1.036 1.00 2.44 H ATOM 372 HD21 ASN A 23 -14.678 1.129 2.328 1.00 3.26 H ATOM 373 HD22 ASN A 23 -14.530 1.933 3.849 1.00 3.71 H TER 374 ASN A 23 ENDMDL MODEL 12 ATOM 1 N VAL A 1 5.322 -6.914 0.523 1.00 1.27 N ATOM 2 CA VAL A 1 5.634 -5.913 -0.529 1.00 1.06 C ATOM 3 C VAL A 1 6.601 -4.849 -0.035 1.00 0.70 C ATOM 4 O VAL A 1 6.445 -3.666 -0.342 1.00 1.03 O ATOM 5 CB VAL A 1 4.374 -5.194 -1.039 1.00 1.23 C ATOM 6 CG1 VAL A 1 3.518 -6.118 -1.885 1.00 1.80 C ATOM 7 CG2 VAL A 1 3.557 -4.613 0.110 1.00 1.58 C ATOM 8 H1 VAL A 1 4.698 -7.606 0.165 1.00 1.67 H ATOM 9 H2 VAL A 1 4.890 -6.472 1.306 1.00 1.64 H ATOM 10 H3 VAL A 1 6.160 -7.366 0.831 1.00 1.65 H ATOM 11 HA VAL A 1 6.090 -6.429 -1.359 1.00 1.35 H ATOM 12 HB VAL A 1 4.706 -4.379 -1.653 1.00 1.79 H ATOM 13 HG11 VAL A 1 3.171 -6.942 -1.280 1.00 2.29 H ATOM 14 HG12 VAL A 1 4.104 -6.497 -2.709 1.00 2.21 H ATOM 15 HG13 VAL A 1 2.669 -5.571 -2.269 1.00 2.30 H ATOM 16 HG21 VAL A 1 3.234 -5.409 0.760 1.00 2.05 H ATOM 17 HG22 VAL A 1 2.691 -4.099 -0.286 1.00 2.00 H ATOM 18 HG23 VAL A 1 4.164 -3.915 0.668 1.00 2.09 H ATOM 19 N LEU A 2 7.611 -5.262 0.697 1.00 0.51 N ATOM 20 CA LEU A 2 8.526 -4.310 1.311 1.00 0.77 C ATOM 21 C LEU A 2 9.944 -4.859 1.459 1.00 0.48 C ATOM 22 O LEU A 2 10.372 -5.286 2.531 1.00 0.60 O ATOM 23 CB LEU A 2 7.992 -3.834 2.651 1.00 1.37 C ATOM 24 CG LEU A 2 7.585 -4.919 3.658 1.00 2.23 C ATOM 25 CD1 LEU A 2 7.682 -4.383 5.077 1.00 3.06 C ATOM 26 CD2 LEU A 2 6.166 -5.397 3.383 1.00 2.69 C ATOM 27 H LEU A 2 7.755 -6.219 0.811 1.00 0.74 H ATOM 28 HA LEU A 2 8.573 -3.456 0.652 1.00 1.13 H ATOM 29 HB2 LEU A 2 8.751 -3.222 3.099 1.00 1.34 H ATOM 30 HB3 LEU A 2 7.132 -3.219 2.451 1.00 1.54 H ATOM 31 HG LEU A 2 8.254 -5.763 3.567 1.00 2.48 H ATOM 32 HD11 LEU A 2 8.696 -4.071 5.275 1.00 3.41 H ATOM 33 HD12 LEU A 2 7.402 -5.159 5.773 1.00 3.47 H ATOM 34 HD13 LEU A 2 7.018 -3.540 5.190 1.00 3.48 H ATOM 35 HD21 LEU A 2 5.923 -6.207 4.053 1.00 3.03 H ATOM 36 HD22 LEU A 2 6.093 -5.737 2.360 1.00 3.01 H ATOM 37 HD23 LEU A 2 5.476 -4.580 3.540 1.00 3.05 H ATOM 38 N PRO A 3 10.681 -4.838 0.354 1.00 0.32 N ATOM 39 CA PRO A 3 12.073 -5.266 0.282 1.00 0.25 C ATOM 40 C PRO A 3 13.046 -4.170 0.731 1.00 0.28 C ATOM 41 O PRO A 3 13.872 -4.390 1.615 1.00 0.49 O ATOM 42 CB PRO A 3 12.262 -5.580 -1.214 1.00 0.45 C ATOM 43 CG PRO A 3 10.924 -5.332 -1.857 1.00 0.63 C ATOM 44 CD PRO A 3 10.198 -4.400 -0.936 1.00 0.54 C ATOM 45 HA PRO A 3 12.242 -6.159 0.865 1.00 0.36 H ATOM 46 HB2 PRO A 3 13.021 -4.930 -1.624 1.00 0.67 H ATOM 47 HB3 PRO A 3 12.566 -6.610 -1.329 1.00 0.55 H ATOM 48 HG2 PRO A 3 11.061 -4.874 -2.825 1.00 0.89 H ATOM 49 HG3 PRO A 3 10.384 -6.262 -1.954 1.00 0.97 H ATOM 50 HD2 PRO A 3 10.480 -3.376 -1.125 1.00 0.65 H ATOM 51 HD3 PRO A 3 9.123 -4.522 -0.997 1.00 0.82 H ATOM 52 N ALA A 4 12.918 -2.981 0.137 1.00 0.18 N ATOM 53 CA ALA A 4 13.790 -1.852 0.462 1.00 0.22 C ATOM 54 C ALA A 4 13.156 -0.531 0.027 1.00 0.19 C ATOM 55 O ALA A 4 12.530 0.162 0.828 1.00 0.21 O ATOM 56 CB ALA A 4 15.158 -2.027 -0.179 1.00 0.30 C ATOM 57 H ALA A 4 12.225 -2.866 -0.543 1.00 0.21 H ATOM 58 HA ALA A 4 13.921 -1.837 1.535 1.00 0.27 H ATOM 59 HB1 ALA A 4 15.047 -2.086 -1.250 1.00 1.08 H ATOM 60 HB2 ALA A 4 15.615 -2.933 0.186 1.00 1.06 H ATOM 61 HB3 ALA A 4 15.783 -1.182 0.070 1.00 1.07 H ATOM 62 N LEU A 5 13.295 -0.182 -1.245 1.00 0.23 N ATOM 63 CA LEU A 5 12.648 1.016 -1.764 1.00 0.27 C ATOM 64 C LEU A 5 11.124 0.835 -1.800 1.00 0.24 C ATOM 65 O LEU A 5 10.393 1.720 -1.356 1.00 0.26 O ATOM 66 CB LEU A 5 13.197 1.394 -3.146 1.00 0.41 C ATOM 67 CG LEU A 5 14.674 1.791 -3.176 1.00 1.24 C ATOM 68 CD1 LEU A 5 15.123 2.045 -4.606 1.00 1.89 C ATOM 69 CD2 LEU A 5 14.916 3.025 -2.318 1.00 2.00 C ATOM 70 H LEU A 5 13.842 -0.736 -1.847 1.00 0.28 H ATOM 71 HA LEU A 5 12.871 1.819 -1.076 1.00 0.29 H ATOM 72 HB2 LEU A 5 13.063 0.554 -3.806 1.00 0.90 H ATOM 73 HB3 LEU A 5 12.619 2.223 -3.525 1.00 0.93 H ATOM 74 HG LEU A 5 15.268 0.982 -2.778 1.00 1.99 H ATOM 75 HD11 LEU A 5 14.977 1.150 -5.193 1.00 2.35 H ATOM 76 HD12 LEU A 5 16.168 2.315 -4.613 1.00 2.40 H ATOM 77 HD13 LEU A 5 14.540 2.850 -5.028 1.00 2.34 H ATOM 78 HD21 LEU A 5 15.958 3.302 -2.373 1.00 2.46 H ATOM 79 HD22 LEU A 5 14.657 2.808 -1.292 1.00 2.45 H ATOM 80 HD23 LEU A 5 14.308 3.840 -2.679 1.00 2.53 H ATOM 81 N PRO A 6 10.611 -0.319 -2.303 1.00 0.27 N ATOM 82 CA PRO A 6 9.183 -0.652 -2.202 1.00 0.31 C ATOM 83 C PRO A 6 8.728 -0.828 -0.747 1.00 0.27 C ATOM 84 O PRO A 6 7.548 -1.004 -0.481 1.00 0.36 O ATOM 85 CB PRO A 6 9.044 -1.967 -2.978 1.00 0.39 C ATOM 86 CG PRO A 6 10.267 -2.057 -3.819 1.00 0.40 C ATOM 87 CD PRO A 6 11.346 -1.365 -3.043 1.00 0.32 C ATOM 88 HA PRO A 6 8.566 0.107 -2.671 1.00 0.37 H ATOM 89 HB2 PRO A 6 8.979 -2.791 -2.284 1.00 0.39 H ATOM 90 HB3 PRO A 6 8.154 -1.934 -3.586 1.00 0.49 H ATOM 91 HG2 PRO A 6 10.527 -3.093 -3.980 1.00 0.42 H ATOM 92 HG3 PRO A 6 10.104 -1.558 -4.762 1.00 0.48 H ATOM 93 HD2 PRO A 6 11.826 -2.054 -2.365 1.00 0.30 H ATOM 94 HD3 PRO A 6 12.066 -0.930 -3.714 1.00 0.40 H ATOM 95 N LEU A 7 9.666 -0.807 0.195 1.00 0.19 N ATOM 96 CA LEU A 7 9.310 -0.859 1.608 1.00 0.23 C ATOM 97 C LEU A 7 8.728 0.480 2.039 1.00 0.24 C ATOM 98 O LEU A 7 7.788 0.538 2.824 1.00 0.35 O ATOM 99 CB LEU A 7 10.529 -1.223 2.464 1.00 0.27 C ATOM 100 CG LEU A 7 10.268 -1.405 3.965 1.00 0.45 C ATOM 101 CD1 LEU A 7 11.175 -2.483 4.525 1.00 0.69 C ATOM 102 CD2 LEU A 7 10.487 -0.101 4.715 1.00 0.68 C ATOM 103 H LEU A 7 10.608 -0.738 -0.062 1.00 0.15 H ATOM 104 HA LEU A 7 8.553 -1.620 1.729 1.00 0.31 H ATOM 105 HB2 LEU A 7 10.947 -2.143 2.080 1.00 0.25 H ATOM 106 HB3 LEU A 7 11.263 -0.439 2.344 1.00 0.27 H ATOM 107 HG LEU A 7 9.243 -1.711 4.117 1.00 0.66 H ATOM 108 HD11 LEU A 7 12.205 -2.214 4.348 1.00 1.29 H ATOM 109 HD12 LEU A 7 10.961 -3.423 4.038 1.00 1.26 H ATOM 110 HD13 LEU A 7 11.006 -2.582 5.588 1.00 1.30 H ATOM 111 HD21 LEU A 7 10.252 -0.242 5.760 1.00 1.29 H ATOM 112 HD22 LEU A 7 9.847 0.665 4.302 1.00 1.26 H ATOM 113 HD23 LEU A 7 11.519 0.201 4.619 1.00 1.28 H ATOM 114 N LEU A 8 9.289 1.556 1.512 1.00 0.18 N ATOM 115 CA LEU A 8 8.756 2.888 1.767 1.00 0.20 C ATOM 116 C LEU A 8 7.719 3.249 0.713 1.00 0.18 C ATOM 117 O LEU A 8 6.570 3.544 1.036 1.00 0.16 O ATOM 118 CB LEU A 8 9.879 3.927 1.774 1.00 0.33 C ATOM 119 CG LEU A 8 9.412 5.380 1.886 1.00 0.36 C ATOM 120 CD1 LEU A 8 8.693 5.622 3.206 1.00 0.61 C ATOM 121 CD2 LEU A 8 10.585 6.333 1.727 1.00 0.66 C ATOM 122 H LEU A 8 10.085 1.454 0.944 1.00 0.19 H ATOM 123 HA LEU A 8 8.276 2.879 2.734 1.00 0.21 H ATOM 124 HB2 LEU A 8 10.533 3.713 2.607 1.00 0.39 H ATOM 125 HB3 LEU A 8 10.444 3.824 0.859 1.00 0.37 H ATOM 126 HG LEU A 8 8.709 5.579 1.090 1.00 0.53 H ATOM 127 HD11 LEU A 8 9.352 5.377 4.025 1.00 1.23 H ATOM 128 HD12 LEU A 8 7.810 5.002 3.252 1.00 1.28 H ATOM 129 HD13 LEU A 8 8.407 6.662 3.272 1.00 1.21 H ATOM 130 HD21 LEU A 8 11.046 6.179 0.763 1.00 1.30 H ATOM 131 HD22 LEU A 8 11.310 6.146 2.505 1.00 1.24 H ATOM 132 HD23 LEU A 8 10.234 7.352 1.799 1.00 1.28 H ATOM 133 N ALA A 9 8.130 3.196 -0.547 1.00 0.28 N ATOM 134 CA ALA A 9 7.254 3.518 -1.663 1.00 0.38 C ATOM 135 C ALA A 9 6.037 2.606 -1.676 1.00 0.38 C ATOM 136 O ALA A 9 4.915 3.035 -1.956 1.00 0.44 O ATOM 137 CB ALA A 9 8.020 3.384 -2.967 1.00 0.51 C ATOM 138 H ALA A 9 9.058 2.927 -0.733 1.00 0.32 H ATOM 139 HA ALA A 9 6.931 4.545 -1.559 1.00 0.40 H ATOM 140 HB1 ALA A 9 8.359 2.364 -3.076 1.00 1.20 H ATOM 141 HB2 ALA A 9 8.871 4.046 -2.954 1.00 1.12 H ATOM 142 HB3 ALA A 9 7.374 3.639 -3.793 1.00 1.13 H ATOM 143 N GLY A 10 6.272 1.348 -1.347 1.00 0.35 N ATOM 144 CA GLY A 10 5.218 0.365 -1.364 1.00 0.45 C ATOM 145 C GLY A 10 4.264 0.525 -0.208 1.00 0.41 C ATOM 146 O GLY A 10 3.057 0.482 -0.392 1.00 0.52 O ATOM 147 H GLY A 10 7.177 1.084 -1.084 1.00 0.31 H ATOM 148 HA2 GLY A 10 4.671 0.461 -2.285 1.00 0.55 H ATOM 149 HA3 GLY A 10 5.659 -0.620 -1.318 1.00 0.48 H ATOM 150 N LEU A 11 4.803 0.747 0.985 1.00 0.29 N ATOM 151 CA LEU A 11 3.981 0.905 2.183 1.00 0.31 C ATOM 152 C LEU A 11 3.104 2.146 2.091 1.00 0.23 C ATOM 153 O LEU A 11 2.252 2.393 2.947 1.00 0.22 O ATOM 154 CB LEU A 11 4.863 0.968 3.429 1.00 0.35 C ATOM 155 CG LEU A 11 4.909 -0.320 4.252 1.00 0.53 C ATOM 156 CD1 LEU A 11 3.550 -0.618 4.866 1.00 0.65 C ATOM 157 CD2 LEU A 11 5.360 -1.482 3.384 1.00 0.57 C ATOM 158 H LEU A 11 5.778 0.815 1.064 1.00 0.23 H ATOM 159 HA LEU A 11 3.342 0.035 2.255 1.00 0.43 H ATOM 160 HB2 LEU A 11 5.870 1.203 3.113 1.00 0.28 H ATOM 161 HB3 LEU A 11 4.509 1.766 4.060 1.00 0.37 H ATOM 162 HG LEU A 11 5.621 -0.203 5.055 1.00 0.59 H ATOM 163 HD11 LEU A 11 2.816 -0.724 4.082 1.00 1.25 H ATOM 164 HD12 LEU A 11 3.263 0.194 5.520 1.00 1.20 H ATOM 165 HD13 LEU A 11 3.604 -1.534 5.434 1.00 1.22 H ATOM 166 HD21 LEU A 11 5.313 -2.399 3.952 1.00 1.16 H ATOM 167 HD22 LEU A 11 6.376 -1.312 3.058 1.00 1.17 H ATOM 168 HD23 LEU A 11 4.713 -1.556 2.522 1.00 1.19 H ATOM 169 N MET A 12 3.331 2.927 1.053 1.00 0.21 N ATOM 170 CA MET A 12 2.499 4.076 0.758 1.00 0.18 C ATOM 171 C MET A 12 1.359 3.699 -0.184 1.00 0.17 C ATOM 172 O MET A 12 0.186 3.734 0.190 1.00 0.17 O ATOM 173 CB MET A 12 3.343 5.160 0.104 1.00 0.21 C ATOM 174 CG MET A 12 4.402 5.749 1.021 1.00 0.24 C ATOM 175 SD MET A 12 3.695 6.524 2.489 1.00 1.46 S ATOM 176 CE MET A 12 5.187 7.049 3.330 1.00 2.10 C ATOM 177 H MET A 12 4.089 2.721 0.467 1.00 0.22 H ATOM 178 HA MET A 12 2.091 4.451 1.684 1.00 0.19 H ATOM 179 HB2 MET A 12 3.838 4.727 -0.760 1.00 0.23 H ATOM 180 HB3 MET A 12 2.694 5.960 -0.226 1.00 0.22 H ATOM 181 HG2 MET A 12 5.068 4.958 1.335 1.00 0.82 H ATOM 182 HG3 MET A 12 4.963 6.491 0.472 1.00 0.85 H ATOM 183 HE1 MET A 12 5.811 6.190 3.526 1.00 2.56 H ATOM 184 HE2 MET A 12 4.925 7.524 4.264 1.00 2.58 H ATOM 185 HE3 MET A 12 5.725 7.751 2.709 1.00 2.52 H ATOM 186 N SER A 13 1.720 3.279 -1.388 1.00 0.19 N ATOM 187 CA SER A 13 0.749 3.098 -2.460 1.00 0.22 C ATOM 188 C SER A 13 0.073 1.730 -2.408 1.00 0.19 C ATOM 189 O SER A 13 -1.099 1.597 -2.757 1.00 0.22 O ATOM 190 CB SER A 13 1.434 3.305 -3.814 1.00 0.32 C ATOM 191 OG SER A 13 2.660 2.592 -3.883 1.00 1.27 O ATOM 192 H SER A 13 2.667 3.088 -1.564 1.00 0.22 H ATOM 193 HA SER A 13 -0.009 3.856 -2.340 1.00 0.24 H ATOM 194 HB2 SER A 13 0.784 2.953 -4.600 1.00 1.07 H ATOM 195 HB3 SER A 13 1.634 4.357 -3.956 1.00 1.01 H ATOM 196 HG SER A 13 3.382 3.168 -3.600 1.00 1.76 H ATOM 197 N LEU A 14 0.803 0.727 -1.950 1.00 0.21 N ATOM 198 CA LEU A 14 0.311 -0.646 -1.940 1.00 0.24 C ATOM 199 C LEU A 14 -0.864 -0.843 -0.979 1.00 0.21 C ATOM 200 O LEU A 14 -1.873 -1.419 -1.370 1.00 0.27 O ATOM 201 CB LEU A 14 1.442 -1.628 -1.612 1.00 0.30 C ATOM 202 CG LEU A 14 2.373 -1.995 -2.780 1.00 0.37 C ATOM 203 CD1 LEU A 14 1.661 -2.927 -3.747 1.00 0.95 C ATOM 204 CD2 LEU A 14 2.852 -0.749 -3.516 1.00 0.83 C ATOM 205 H LEU A 14 1.704 0.909 -1.601 1.00 0.24 H ATOM 206 HA LEU A 14 -0.039 -0.860 -2.938 1.00 0.27 H ATOM 207 HB2 LEU A 14 2.043 -1.196 -0.826 1.00 0.29 H ATOM 208 HB3 LEU A 14 0.999 -2.536 -1.239 1.00 0.34 H ATOM 209 HG LEU A 14 3.238 -2.513 -2.392 1.00 0.79 H ATOM 210 HD11 LEU A 14 1.341 -3.815 -3.222 1.00 1.52 H ATOM 211 HD12 LEU A 14 2.339 -3.204 -4.541 1.00 1.53 H ATOM 212 HD13 LEU A 14 0.802 -2.425 -4.165 1.00 1.53 H ATOM 213 HD21 LEU A 14 3.803 -0.951 -3.988 1.00 1.40 H ATOM 214 HD22 LEU A 14 2.961 0.072 -2.814 1.00 1.45 H ATOM 215 HD23 LEU A 14 2.127 -0.481 -4.272 1.00 1.47 H ATOM 216 N PRO A 15 -0.796 -0.365 0.280 1.00 0.20 N ATOM 217 CA PRO A 15 -1.902 -0.538 1.203 1.00 0.23 C ATOM 218 C PRO A 15 -2.970 0.504 0.936 1.00 0.20 C ATOM 219 O PRO A 15 -4.108 0.380 1.373 1.00 0.30 O ATOM 220 CB PRO A 15 -1.261 -0.339 2.571 1.00 0.32 C ATOM 221 CG PRO A 15 -0.132 0.599 2.327 1.00 0.31 C ATOM 222 CD PRO A 15 0.300 0.410 0.893 1.00 0.24 C ATOM 223 HA PRO A 15 -2.329 -1.528 1.132 1.00 0.26 H ATOM 224 HB2 PRO A 15 -1.986 0.081 3.253 1.00 0.36 H ATOM 225 HB3 PRO A 15 -0.911 -1.288 2.949 1.00 0.39 H ATOM 226 HG2 PRO A 15 -0.463 1.616 2.482 1.00 0.34 H ATOM 227 HG3 PRO A 15 0.684 0.367 2.996 1.00 0.40 H ATOM 228 HD2 PRO A 15 0.395 1.375 0.409 1.00 0.25 H ATOM 229 HD3 PRO A 15 1.233 -0.132 0.846 1.00 0.32 H ATOM 230 N PHE A 16 -2.581 1.536 0.203 1.00 0.16 N ATOM 231 CA PHE A 16 -3.493 2.584 -0.188 1.00 0.22 C ATOM 232 C PHE A 16 -4.423 2.090 -1.289 1.00 0.22 C ATOM 233 O PHE A 16 -5.638 2.014 -1.103 1.00 0.32 O ATOM 234 CB PHE A 16 -2.702 3.790 -0.680 1.00 0.29 C ATOM 235 CG PHE A 16 -3.489 5.058 -0.692 1.00 0.43 C ATOM 236 CD1 PHE A 16 -4.100 5.507 -1.850 1.00 0.57 C ATOM 237 CD2 PHE A 16 -3.620 5.795 0.464 1.00 0.76 C ATOM 238 CE1 PHE A 16 -4.830 6.677 -1.852 1.00 0.80 C ATOM 239 CE2 PHE A 16 -4.349 6.969 0.473 1.00 1.01 C ATOM 240 CZ PHE A 16 -4.957 7.410 -0.689 1.00 0.98 C ATOM 241 H PHE A 16 -1.638 1.598 -0.072 1.00 0.17 H ATOM 242 HA PHE A 16 -4.078 2.867 0.672 1.00 0.30 H ATOM 243 HB2 PHE A 16 -1.848 3.937 -0.039 1.00 0.45 H ATOM 244 HB3 PHE A 16 -2.359 3.601 -1.688 1.00 0.40 H ATOM 245 HD1 PHE A 16 -3.999 4.931 -2.757 1.00 0.71 H ATOM 246 HD2 PHE A 16 -3.140 5.444 1.369 1.00 0.91 H ATOM 247 HE1 PHE A 16 -5.302 7.019 -2.761 1.00 0.97 H ATOM 248 HE2 PHE A 16 -4.444 7.537 1.385 1.00 1.32 H ATOM 249 HZ PHE A 16 -5.528 8.325 -0.687 1.00 1.21 H ATOM 250 N LEU A 17 -3.830 1.723 -2.421 1.00 0.22 N ATOM 251 CA LEU A 17 -4.582 1.347 -3.609 1.00 0.33 C ATOM 252 C LEU A 17 -5.413 0.094 -3.357 1.00 0.33 C ATOM 253 O LEU A 17 -6.622 0.099 -3.574 1.00 0.44 O ATOM 254 CB LEU A 17 -3.615 1.133 -4.791 1.00 0.45 C ATOM 255 CG LEU A 17 -4.242 1.060 -6.197 1.00 1.03 C ATOM 256 CD1 LEU A 17 -4.931 -0.276 -6.438 1.00 1.93 C ATOM 257 CD2 LEU A 17 -5.222 2.206 -6.408 1.00 1.50 C ATOM 258 H LEU A 17 -2.846 1.704 -2.458 1.00 0.22 H ATOM 259 HA LEU A 17 -5.248 2.161 -3.848 1.00 0.43 H ATOM 260 HB2 LEU A 17 -2.901 1.942 -4.787 1.00 0.63 H ATOM 261 HB3 LEU A 17 -3.080 0.211 -4.617 1.00 0.90 H ATOM 262 HG LEU A 17 -3.456 1.159 -6.933 1.00 1.42 H ATOM 263 HD11 LEU A 17 -5.716 -0.411 -5.710 1.00 2.42 H ATOM 264 HD12 LEU A 17 -4.210 -1.074 -6.342 1.00 2.41 H ATOM 265 HD13 LEU A 17 -5.354 -0.289 -7.431 1.00 2.41 H ATOM 266 HD21 LEU A 17 -4.716 3.146 -6.242 1.00 1.95 H ATOM 267 HD22 LEU A 17 -6.044 2.111 -5.716 1.00 2.00 H ATOM 268 HD23 LEU A 17 -5.599 2.175 -7.420 1.00 1.99 H ATOM 269 N GLN A 18 -4.773 -0.969 -2.878 1.00 0.30 N ATOM 270 CA GLN A 18 -5.457 -2.251 -2.725 1.00 0.40 C ATOM 271 C GLN A 18 -6.584 -2.143 -1.697 1.00 0.46 C ATOM 272 O GLN A 18 -7.604 -2.830 -1.808 1.00 0.56 O ATOM 273 CB GLN A 18 -4.487 -3.363 -2.313 1.00 0.48 C ATOM 274 CG GLN A 18 -3.155 -3.365 -3.057 1.00 0.66 C ATOM 275 CD GLN A 18 -3.274 -3.284 -4.567 1.00 1.28 C ATOM 276 OE1 GLN A 18 -4.239 -3.760 -5.165 1.00 2.28 O ATOM 277 NE2 GLN A 18 -2.277 -2.675 -5.191 1.00 1.17 N ATOM 278 H GLN A 18 -3.829 -0.891 -2.624 1.00 0.27 H ATOM 279 HA GLN A 18 -5.891 -2.504 -3.681 1.00 0.47 H ATOM 280 HB2 GLN A 18 -4.278 -3.262 -1.260 1.00 0.54 H ATOM 281 HB3 GLN A 18 -4.966 -4.315 -2.479 1.00 0.64 H ATOM 282 HG2 GLN A 18 -2.577 -2.518 -2.721 1.00 1.02 H ATOM 283 HG3 GLN A 18 -2.627 -4.274 -2.805 1.00 1.38 H ATOM 284 HE21 GLN A 18 -1.541 -2.323 -4.649 1.00 0.85 H ATOM 285 HE22 GLN A 18 -2.310 -2.602 -6.169 1.00 1.83 H ATOM 286 N HIS A 19 -6.404 -1.271 -0.706 1.00 0.46 N ATOM 287 CA HIS A 19 -7.429 -1.055 0.309 1.00 0.61 C ATOM 288 C HIS A 19 -8.658 -0.425 -0.321 1.00 0.67 C ATOM 289 O HIS A 19 -9.748 -0.971 -0.230 1.00 0.82 O ATOM 290 CB HIS A 19 -6.919 -0.144 1.426 1.00 0.71 C ATOM 291 CG HIS A 19 -7.745 -0.172 2.681 1.00 0.90 C ATOM 292 ND1 HIS A 19 -9.105 0.077 2.717 1.00 1.24 N ATOM 293 CD2 HIS A 19 -7.385 -0.428 3.960 1.00 1.01 C ATOM 294 CE1 HIS A 19 -9.535 -0.023 3.960 1.00 1.42 C ATOM 295 NE2 HIS A 19 -8.513 -0.329 4.731 1.00 1.29 N ATOM 296 H HIS A 19 -5.564 -0.765 -0.656 1.00 0.42 H ATOM 297 HA HIS A 19 -7.697 -2.014 0.725 1.00 0.67 H ATOM 298 HB2 HIS A 19 -5.915 -0.440 1.688 1.00 0.75 H ATOM 299 HB3 HIS A 19 -6.902 0.874 1.064 1.00 0.79 H ATOM 300 HD1 HIS A 19 -9.682 0.291 1.940 1.00 1.42 H ATOM 301 HD2 HIS A 19 -6.390 -0.666 4.309 1.00 1.06 H ATOM 302 HE1 HIS A 19 -10.554 0.116 4.287 1.00 1.72 H ATOM 303 HE2 HIS A 19 -8.537 -0.367 5.712 1.00 1.48 H ATOM 304 N LYS A 20 -8.464 0.699 -1.004 1.00 0.65 N ATOM 305 CA LYS A 20 -9.581 1.474 -1.542 1.00 0.81 C ATOM 306 C LYS A 20 -10.161 0.784 -2.764 1.00 0.82 C ATOM 307 O LYS A 20 -11.217 1.158 -3.274 1.00 0.98 O ATOM 308 CB LYS A 20 -9.137 2.903 -1.880 1.00 0.97 C ATOM 309 CG LYS A 20 -7.977 2.975 -2.861 1.00 0.98 C ATOM 310 CD LYS A 20 -7.440 4.393 -2.995 1.00 1.26 C ATOM 311 CE LYS A 20 -8.448 5.318 -3.656 1.00 1.81 C ATOM 312 NZ LYS A 20 -7.917 6.697 -3.800 1.00 2.38 N ATOM 313 H LYS A 20 -7.545 0.997 -1.184 1.00 0.60 H ATOM 314 HA LYS A 20 -10.344 1.518 -0.778 1.00 0.91 H ATOM 315 HB2 LYS A 20 -9.974 3.433 -2.310 1.00 1.52 H ATOM 316 HB3 LYS A 20 -8.840 3.400 -0.969 1.00 1.46 H ATOM 317 HG2 LYS A 20 -7.183 2.334 -2.508 1.00 1.41 H ATOM 318 HG3 LYS A 20 -8.314 2.633 -3.828 1.00 1.49 H ATOM 319 HD2 LYS A 20 -7.213 4.773 -2.011 1.00 1.62 H ATOM 320 HD3 LYS A 20 -6.539 4.373 -3.589 1.00 1.69 H ATOM 321 HE2 LYS A 20 -8.687 4.930 -4.634 1.00 2.31 H ATOM 322 HE3 LYS A 20 -9.343 5.346 -3.052 1.00 2.26 H ATOM 323 HZ1 LYS A 20 -7.716 7.084 -2.901 1.00 2.71 H ATOM 324 HZ2 LYS A 20 -8.590 7.278 -4.255 1.00 2.79 H ATOM 325 HZ3 LYS A 20 -7.076 6.689 -4.348 1.00 2.74 H ATOM 326 N LEU A 21 -9.442 -0.224 -3.224 1.00 0.74 N ATOM 327 CA LEU A 21 -9.865 -1.036 -4.343 1.00 0.86 C ATOM 328 C LEU A 21 -11.021 -1.944 -3.930 1.00 0.96 C ATOM 329 O LEU A 21 -11.918 -2.229 -4.724 1.00 1.14 O ATOM 330 CB LEU A 21 -8.681 -1.872 -4.824 1.00 0.84 C ATOM 331 CG LEU A 21 -8.838 -2.515 -6.202 1.00 1.10 C ATOM 332 CD1 LEU A 21 -8.979 -1.451 -7.280 1.00 1.65 C ATOM 333 CD2 LEU A 21 -7.654 -3.420 -6.499 1.00 1.80 C ATOM 334 H LEU A 21 -8.582 -0.421 -2.798 1.00 0.66 H ATOM 335 HA LEU A 21 -10.188 -0.382 -5.137 1.00 0.99 H ATOM 336 HB2 LEU A 21 -7.807 -1.234 -4.836 1.00 0.79 H ATOM 337 HB3 LEU A 21 -8.515 -2.660 -4.105 1.00 0.80 H ATOM 338 HG LEU A 21 -9.732 -3.120 -6.210 1.00 1.61 H ATOM 339 HD11 LEU A 21 -9.049 -1.927 -8.246 1.00 2.13 H ATOM 340 HD12 LEU A 21 -8.115 -0.802 -7.261 1.00 2.12 H ATOM 341 HD13 LEU A 21 -9.870 -0.871 -7.100 1.00 2.18 H ATOM 342 HD21 LEU A 21 -7.577 -4.176 -5.732 1.00 2.31 H ATOM 343 HD22 LEU A 21 -6.747 -2.833 -6.518 1.00 2.31 H ATOM 344 HD23 LEU A 21 -7.796 -3.894 -7.458 1.00 2.27 H ATOM 345 N THR A 22 -10.991 -2.391 -2.680 1.00 0.92 N ATOM 346 CA THR A 22 -12.023 -3.278 -2.165 1.00 1.10 C ATOM 347 C THR A 22 -12.864 -2.588 -1.081 1.00 1.19 C ATOM 348 O THR A 22 -14.018 -2.957 -0.848 1.00 1.44 O ATOM 349 CB THR A 22 -11.398 -4.583 -1.610 1.00 1.19 C ATOM 350 OG1 THR A 22 -12.421 -5.500 -1.202 1.00 1.81 O ATOM 351 CG2 THR A 22 -10.468 -4.300 -0.436 1.00 1.51 C ATOM 352 H THR A 22 -10.249 -2.124 -2.094 1.00 0.84 H ATOM 353 HA THR A 22 -12.671 -3.540 -2.988 1.00 1.23 H ATOM 354 HB THR A 22 -10.818 -5.041 -2.399 1.00 1.62 H ATOM 355 HG1 THR A 22 -12.883 -5.832 -1.984 1.00 2.30 H ATOM 356 HG21 THR A 22 -9.664 -3.655 -0.761 1.00 1.97 H ATOM 357 HG22 THR A 22 -10.059 -5.229 -0.069 1.00 2.04 H ATOM 358 HG23 THR A 22 -11.024 -3.814 0.353 1.00 1.95 H ATOM 359 N ASN A 23 -12.286 -1.583 -0.434 1.00 1.13 N ATOM 360 CA ASN A 23 -12.955 -0.859 0.640 1.00 1.33 C ATOM 361 C ASN A 23 -12.388 0.554 0.753 1.00 1.94 C ATOM 362 O ASN A 23 -11.312 0.722 1.362 1.00 2.64 O ATOM 363 CB ASN A 23 -12.791 -1.604 1.968 1.00 1.97 C ATOM 364 CG ASN A 23 -13.450 -0.883 3.132 1.00 2.54 C ATOM 365 OD1 ASN A 23 -12.813 -0.099 3.840 1.00 3.05 O ATOM 366 ND2 ASN A 23 -14.730 -1.139 3.338 1.00 3.13 N ATOM 367 OXT ASN A 23 -13.013 1.489 0.214 1.00 2.58 O ATOM 368 H ASN A 23 -11.373 -1.318 -0.681 1.00 1.07 H ATOM 369 HA ASN A 23 -14.004 -0.796 0.395 1.00 1.77 H ATOM 370 HB2 ASN A 23 -13.236 -2.583 1.879 1.00 2.48 H ATOM 371 HB3 ASN A 23 -11.738 -1.710 2.184 1.00 2.44 H ATOM 372 HD21 ASN A 23 -15.180 -1.772 2.738 1.00 3.26 H ATOM 373 HD22 ASN A 23 -15.180 -0.687 4.084 1.00 3.71 H TER 374 ASN A 23 ENDMDL MODEL 13 ATOM 1 N VAL A 1 5.866 -7.259 1.508 1.00 1.27 N ATOM 2 CA VAL A 1 5.626 -6.098 0.619 1.00 1.06 C ATOM 3 C VAL A 1 6.564 -4.951 0.987 1.00 0.70 C ATOM 4 O VAL A 1 6.242 -3.777 0.826 1.00 1.03 O ATOM 5 CB VAL A 1 4.144 -5.631 0.704 1.00 1.23 C ATOM 6 CG1 VAL A 1 3.808 -4.586 -0.356 1.00 1.80 C ATOM 7 CG2 VAL A 1 3.198 -6.815 0.581 1.00 1.58 C ATOM 8 H1 VAL A 1 6.817 -7.558 1.432 1.00 1.67 H ATOM 9 H2 VAL A 1 5.273 -8.019 1.248 1.00 1.64 H ATOM 10 H3 VAL A 1 5.674 -7.014 2.459 1.00 1.65 H ATOM 11 HA VAL A 1 5.841 -6.402 -0.390 1.00 1.35 H ATOM 12 HB VAL A 1 3.991 -5.182 1.673 1.00 1.79 H ATOM 13 HG11 VAL A 1 3.986 -4.998 -1.337 1.00 2.29 H ATOM 14 HG12 VAL A 1 4.432 -3.715 -0.211 1.00 2.21 H ATOM 15 HG13 VAL A 1 2.771 -4.302 -0.265 1.00 2.30 H ATOM 16 HG21 VAL A 1 3.340 -7.290 -0.378 1.00 2.05 H ATOM 17 HG22 VAL A 1 2.178 -6.472 0.667 1.00 2.00 H ATOM 18 HG23 VAL A 1 3.407 -7.524 1.368 1.00 2.09 H ATOM 19 N LEU A 2 7.750 -5.294 1.459 1.00 0.51 N ATOM 20 CA LEU A 2 8.692 -4.277 1.913 1.00 0.77 C ATOM 21 C LEU A 2 10.137 -4.775 1.915 1.00 0.48 C ATOM 22 O LEU A 2 10.711 -5.108 2.950 1.00 0.60 O ATOM 23 CB LEU A 2 8.301 -3.734 3.283 1.00 1.37 C ATOM 24 CG LEU A 2 8.255 -4.734 4.450 1.00 2.23 C ATOM 25 CD1 LEU A 2 8.405 -4.003 5.774 1.00 3.06 C ATOM 26 CD2 LEU A 2 6.953 -5.522 4.444 1.00 2.69 C ATOM 27 H LEU A 2 8.006 -6.241 1.476 1.00 0.74 H ATOM 28 HA LEU A 2 8.631 -3.464 1.204 1.00 1.13 H ATOM 29 HB2 LEU A 2 8.996 -2.956 3.533 1.00 1.34 H ATOM 30 HB3 LEU A 2 7.325 -3.294 3.180 1.00 1.54 H ATOM 31 HG LEU A 2 9.075 -5.432 4.356 1.00 2.48 H ATOM 32 HD11 LEU A 2 7.602 -3.289 5.883 1.00 3.41 H ATOM 33 HD12 LEU A 2 9.353 -3.485 5.793 1.00 3.47 H ATOM 34 HD13 LEU A 2 8.369 -4.715 6.585 1.00 3.48 H ATOM 35 HD21 LEU A 2 6.854 -6.045 3.505 1.00 3.03 H ATOM 36 HD22 LEU A 2 6.122 -4.844 4.568 1.00 3.01 H ATOM 37 HD23 LEU A 2 6.959 -6.236 5.255 1.00 3.05 H ATOM 38 N PRO A 3 10.729 -4.812 0.727 1.00 0.32 N ATOM 39 CA PRO A 3 12.110 -5.230 0.510 1.00 0.25 C ATOM 40 C PRO A 3 13.111 -4.106 0.796 1.00 0.28 C ATOM 41 O PRO A 3 14.050 -4.283 1.568 1.00 0.49 O ATOM 42 CB PRO A 3 12.127 -5.608 -0.984 1.00 0.45 C ATOM 43 CG PRO A 3 10.715 -5.432 -1.467 1.00 0.63 C ATOM 44 CD PRO A 3 10.079 -4.463 -0.516 1.00 0.54 C ATOM 45 HA PRO A 3 12.359 -6.094 1.107 1.00 0.36 H ATOM 46 HB2 PRO A 3 12.806 -4.954 -1.512 1.00 0.67 H ATOM 47 HB3 PRO A 3 12.454 -6.632 -1.093 1.00 0.55 H ATOM 48 HG2 PRO A 3 10.716 -5.031 -2.468 1.00 0.89 H ATOM 49 HG3 PRO A 3 10.198 -6.380 -1.440 1.00 0.97 H ATOM 50 HD2 PRO A 3 10.301 -3.445 -0.796 1.00 0.65 H ATOM 51 HD3 PRO A 3 9.008 -4.614 -0.436 1.00 0.82 H ATOM 52 N ALA A 4 12.885 -2.942 0.185 1.00 0.18 N ATOM 53 CA ALA A 4 13.763 -1.787 0.360 1.00 0.22 C ATOM 54 C ALA A 4 13.109 -0.522 -0.193 1.00 0.19 C ATOM 55 O ALA A 4 12.589 0.306 0.560 1.00 0.21 O ATOM 56 CB ALA A 4 15.103 -2.029 -0.318 1.00 0.30 C ATOM 57 H ALA A 4 12.110 -2.861 -0.404 1.00 0.21 H ATOM 58 HA ALA A 4 13.937 -1.659 1.418 1.00 0.27 H ATOM 59 HB1 ALA A 4 15.747 -1.177 -0.159 1.00 1.08 H ATOM 60 HB2 ALA A 4 14.946 -2.171 -1.376 1.00 1.06 H ATOM 61 HB3 ALA A 4 15.564 -2.912 0.100 1.00 1.07 H ATOM 62 N LEU A 5 13.114 -0.382 -1.511 1.00 0.23 N ATOM 63 CA LEU A 5 12.459 0.750 -2.149 1.00 0.27 C ATOM 64 C LEU A 5 10.935 0.648 -1.983 1.00 0.24 C ATOM 65 O LEU A 5 10.296 1.619 -1.579 1.00 0.26 O ATOM 66 CB LEU A 5 12.863 0.864 -3.628 1.00 0.41 C ATOM 67 CG LEU A 5 12.232 2.029 -4.395 1.00 1.24 C ATOM 68 CD1 LEU A 5 12.701 3.361 -3.833 1.00 1.89 C ATOM 69 CD2 LEU A 5 12.566 1.928 -5.875 1.00 2.00 C ATOM 70 H LEU A 5 13.572 -1.051 -2.067 1.00 0.28 H ATOM 71 HA LEU A 5 12.790 1.639 -1.634 1.00 0.29 H ATOM 72 HB2 LEU A 5 13.937 0.977 -3.675 1.00 0.90 H ATOM 73 HB3 LEU A 5 12.599 -0.049 -4.130 1.00 0.93 H ATOM 74 HG LEU A 5 11.159 1.981 -4.290 1.00 1.99 H ATOM 75 HD11 LEU A 5 12.236 4.166 -4.382 1.00 2.35 H ATOM 76 HD12 LEU A 5 13.774 3.434 -3.928 1.00 2.40 H ATOM 77 HD13 LEU A 5 12.427 3.429 -2.792 1.00 2.34 H ATOM 78 HD21 LEU A 5 13.638 1.938 -6.003 1.00 2.46 H ATOM 79 HD22 LEU A 5 12.134 2.767 -6.399 1.00 2.45 H ATOM 80 HD23 LEU A 5 12.165 1.009 -6.274 1.00 2.53 H ATOM 81 N PRO A 6 10.319 -0.533 -2.256 1.00 0.27 N ATOM 82 CA PRO A 6 8.899 -0.758 -1.965 1.00 0.31 C ATOM 83 C PRO A 6 8.613 -0.803 -0.462 1.00 0.27 C ATOM 84 O PRO A 6 7.462 -0.877 -0.049 1.00 0.36 O ATOM 85 CB PRO A 6 8.581 -2.114 -2.605 1.00 0.39 C ATOM 86 CG PRO A 6 9.729 -2.408 -3.505 1.00 0.40 C ATOM 87 CD PRO A 6 10.916 -1.713 -2.906 1.00 0.32 C ATOM 88 HA PRO A 6 8.283 0.007 -2.418 1.00 0.37 H ATOM 89 HB2 PRO A 6 8.486 -2.863 -1.833 1.00 0.39 H ATOM 90 HB3 PRO A 6 7.656 -2.045 -3.158 1.00 0.49 H ATOM 91 HG2 PRO A 6 9.901 -3.473 -3.546 1.00 0.42 H ATOM 92 HG3 PRO A 6 9.529 -2.022 -4.492 1.00 0.48 H ATOM 93 HD2 PRO A 6 11.408 -2.347 -2.181 1.00 0.30 H ATOM 94 HD3 PRO A 6 11.602 -1.422 -3.679 1.00 0.40 H ATOM 95 N LEU A 7 9.659 -0.785 0.353 1.00 0.19 N ATOM 96 CA LEU A 7 9.482 -0.772 1.797 1.00 0.23 C ATOM 97 C LEU A 7 8.817 0.531 2.219 1.00 0.24 C ATOM 98 O LEU A 7 7.822 0.523 2.933 1.00 0.35 O ATOM 99 CB LEU A 7 10.828 -0.971 2.508 1.00 0.27 C ATOM 100 CG LEU A 7 10.790 -1.024 4.041 1.00 0.45 C ATOM 101 CD1 LEU A 7 11.912 -1.907 4.559 1.00 0.69 C ATOM 102 CD2 LEU A 7 10.916 0.370 4.638 1.00 0.68 C ATOM 103 H LEU A 7 10.562 -0.760 -0.022 1.00 0.15 H ATOM 104 HA LEU A 7 8.824 -1.589 2.052 1.00 0.31 H ATOM 105 HB2 LEU A 7 11.260 -1.894 2.152 1.00 0.25 H ATOM 106 HB3 LEU A 7 11.480 -0.161 2.219 1.00 0.27 H ATOM 107 HG LEU A 7 9.850 -1.447 4.363 1.00 0.66 H ATOM 108 HD11 LEU A 7 11.874 -1.943 5.637 1.00 1.29 H ATOM 109 HD12 LEU A 7 12.862 -1.504 4.244 1.00 1.26 H ATOM 110 HD13 LEU A 7 11.795 -2.905 4.161 1.00 1.30 H ATOM 111 HD21 LEU A 7 11.852 0.812 4.329 1.00 1.29 H ATOM 112 HD22 LEU A 7 10.887 0.304 5.715 1.00 1.26 H ATOM 113 HD23 LEU A 7 10.097 0.985 4.293 1.00 1.28 H ATOM 114 N LEU A 8 9.353 1.651 1.758 1.00 0.18 N ATOM 115 CA LEU A 8 8.745 2.938 2.063 1.00 0.20 C ATOM 116 C LEU A 8 7.739 3.321 0.989 1.00 0.18 C ATOM 117 O LEU A 8 6.552 3.476 1.268 1.00 0.16 O ATOM 118 CB LEU A 8 9.807 4.026 2.206 1.00 0.33 C ATOM 119 CG LEU A 8 9.255 5.436 2.422 1.00 0.36 C ATOM 120 CD1 LEU A 8 8.432 5.505 3.700 1.00 0.61 C ATOM 121 CD2 LEU A 8 10.385 6.455 2.451 1.00 0.66 C ATOM 122 H LEU A 8 10.164 1.610 1.197 1.00 0.19 H ATOM 123 HA LEU A 8 8.218 2.839 3.000 1.00 0.21 H ATOM 124 HB2 LEU A 8 10.439 3.773 3.045 1.00 0.39 H ATOM 125 HB3 LEU A 8 10.411 4.032 1.312 1.00 0.37 H ATOM 126 HG LEU A 8 8.603 5.683 1.600 1.00 0.53 H ATOM 127 HD11 LEU A 8 7.544 4.897 3.590 1.00 1.23 H ATOM 128 HD12 LEU A 8 8.146 6.529 3.890 1.00 1.28 H ATOM 129 HD13 LEU A 8 9.020 5.137 4.527 1.00 1.21 H ATOM 130 HD21 LEU A 8 11.068 6.214 3.252 1.00 1.30 H ATOM 131 HD22 LEU A 8 9.977 7.442 2.612 1.00 1.24 H ATOM 132 HD23 LEU A 8 10.913 6.434 1.509 1.00 1.28 H ATOM 133 N ALA A 9 8.222 3.448 -0.242 1.00 0.28 N ATOM 134 CA ALA A 9 7.383 3.838 -1.368 1.00 0.38 C ATOM 135 C ALA A 9 6.226 2.866 -1.555 1.00 0.38 C ATOM 136 O ALA A 9 5.092 3.268 -1.824 1.00 0.44 O ATOM 137 CB ALA A 9 8.223 3.902 -2.631 1.00 0.51 C ATOM 138 H ALA A 9 9.176 3.278 -0.398 1.00 0.32 H ATOM 139 HA ALA A 9 6.990 4.824 -1.173 1.00 0.40 H ATOM 140 HB1 ALA A 9 8.699 2.945 -2.789 1.00 1.20 H ATOM 141 HB2 ALA A 9 8.978 4.666 -2.524 1.00 1.12 H ATOM 142 HB3 ALA A 9 7.591 4.133 -3.473 1.00 1.13 H ATOM 143 N GLY A 10 6.521 1.588 -1.397 1.00 0.35 N ATOM 144 CA GLY A 10 5.508 0.569 -1.555 1.00 0.45 C ATOM 145 C GLY A 10 4.476 0.611 -0.451 1.00 0.41 C ATOM 146 O GLY A 10 3.279 0.557 -0.716 1.00 0.52 O ATOM 147 H GLY A 10 7.435 1.334 -1.162 1.00 0.31 H ATOM 148 HA2 GLY A 10 5.016 0.715 -2.503 1.00 0.55 H ATOM 149 HA3 GLY A 10 5.985 -0.400 -1.553 1.00 0.48 H ATOM 150 N LEU A 11 4.936 0.747 0.792 1.00 0.29 N ATOM 151 CA LEU A 11 4.037 0.808 1.946 1.00 0.31 C ATOM 152 C LEU A 11 3.166 2.058 1.915 1.00 0.23 C ATOM 153 O LEU A 11 2.318 2.261 2.784 1.00 0.22 O ATOM 154 CB LEU A 11 4.838 0.772 3.243 1.00 0.35 C ATOM 155 CG LEU A 11 4.866 -0.585 3.951 1.00 0.53 C ATOM 156 CD1 LEU A 11 3.476 -0.971 4.434 1.00 0.65 C ATOM 157 CD2 LEU A 11 5.421 -1.650 3.024 1.00 0.57 C ATOM 158 H LEU A 11 5.906 0.801 0.942 1.00 0.23 H ATOM 159 HA LEU A 11 3.399 -0.062 1.908 1.00 0.43 H ATOM 160 HB2 LEU A 11 5.854 1.057 3.015 1.00 0.28 H ATOM 161 HB3 LEU A 11 4.426 1.502 3.920 1.00 0.37 H ATOM 162 HG LEU A 11 5.512 -0.520 4.812 1.00 0.59 H ATOM 163 HD11 LEU A 11 3.103 -0.211 5.105 1.00 1.25 H ATOM 164 HD12 LEU A 11 3.526 -1.916 4.955 1.00 1.20 H ATOM 165 HD13 LEU A 11 2.812 -1.062 3.589 1.00 1.22 H ATOM 166 HD21 LEU A 11 4.862 -1.647 2.100 1.00 1.16 H ATOM 167 HD22 LEU A 11 5.335 -2.618 3.495 1.00 1.17 H ATOM 168 HD23 LEU A 11 6.461 -1.440 2.816 1.00 1.19 H ATOM 169 N MET A 12 3.398 2.901 0.928 1.00 0.21 N ATOM 170 CA MET A 12 2.573 4.078 0.727 1.00 0.18 C ATOM 171 C MET A 12 1.405 3.768 -0.202 1.00 0.17 C ATOM 172 O MET A 12 0.241 3.799 0.202 1.00 0.17 O ATOM 173 CB MET A 12 3.405 5.201 0.113 1.00 0.21 C ATOM 174 CG MET A 12 4.527 5.733 1.002 1.00 0.24 C ATOM 175 SD MET A 12 3.938 6.613 2.468 1.00 1.46 S ATOM 176 CE MET A 12 3.819 5.287 3.669 1.00 2.10 C ATOM 177 H MET A 12 4.151 2.725 0.325 1.00 0.22 H ATOM 178 HA MET A 12 2.192 4.397 1.682 1.00 0.19 H ATOM 179 HB2 MET A 12 3.850 4.827 -0.803 1.00 0.23 H ATOM 180 HB3 MET A 12 2.749 6.024 -0.130 1.00 0.22 H ATOM 181 HG2 MET A 12 5.134 4.900 1.326 1.00 0.82 H ATOM 182 HG3 MET A 12 5.135 6.407 0.418 1.00 0.85 H ATOM 183 HE1 MET A 12 3.484 5.689 4.615 1.00 2.56 H ATOM 184 HE2 MET A 12 4.789 4.829 3.797 1.00 2.58 H ATOM 185 HE3 MET A 12 3.116 4.546 3.325 1.00 2.52 H ATOM 186 N SER A 13 1.725 3.411 -1.436 1.00 0.19 N ATOM 187 CA SER A 13 0.716 3.296 -2.479 1.00 0.22 C ATOM 188 C SER A 13 0.091 1.905 -2.526 1.00 0.19 C ATOM 189 O SER A 13 -1.095 1.763 -2.827 1.00 0.22 O ATOM 190 CB SER A 13 1.345 3.637 -3.830 1.00 0.32 C ATOM 191 OG SER A 13 2.027 4.883 -3.775 1.00 1.27 O ATOM 192 H SER A 13 2.664 3.226 -1.653 1.00 0.22 H ATOM 193 HA SER A 13 -0.062 4.016 -2.266 1.00 0.24 H ATOM 194 HB2 SER A 13 2.051 2.866 -4.101 1.00 1.07 H ATOM 195 HB3 SER A 13 0.570 3.697 -4.579 1.00 1.01 H ATOM 196 HG SER A 13 1.501 5.510 -3.258 1.00 1.76 H ATOM 197 N LEU A 14 0.880 0.887 -2.210 1.00 0.21 N ATOM 198 CA LEU A 14 0.427 -0.495 -2.323 1.00 0.24 C ATOM 199 C LEU A 14 -0.746 -0.793 -1.388 1.00 0.21 C ATOM 200 O LEU A 14 -1.790 -1.246 -1.856 1.00 0.27 O ATOM 201 CB LEU A 14 1.580 -1.477 -2.079 1.00 0.30 C ATOM 202 CG LEU A 14 2.501 -1.737 -3.280 1.00 0.37 C ATOM 203 CD1 LEU A 14 1.772 -2.546 -4.342 1.00 0.95 C ATOM 204 CD2 LEU A 14 3.000 -0.427 -3.872 1.00 0.83 C ATOM 205 H LEU A 14 1.787 1.062 -1.880 1.00 0.24 H ATOM 206 HA LEU A 14 0.080 -0.628 -3.338 1.00 0.27 H ATOM 207 HB2 LEU A 14 2.184 -1.090 -1.272 1.00 0.29 H ATOM 208 HB3 LEU A 14 1.160 -2.418 -1.768 1.00 0.34 H ATOM 209 HG LEU A 14 3.357 -2.307 -2.953 1.00 0.79 H ATOM 210 HD11 LEU A 14 1.444 -3.482 -3.919 1.00 1.52 H ATOM 211 HD12 LEU A 14 2.441 -2.740 -5.168 1.00 1.53 H ATOM 212 HD13 LEU A 14 0.916 -1.990 -4.695 1.00 1.53 H ATOM 213 HD21 LEU A 14 2.203 0.037 -4.435 1.00 1.40 H ATOM 214 HD22 LEU A 14 3.838 -0.619 -4.521 1.00 1.45 H ATOM 215 HD23 LEU A 14 3.303 0.238 -3.073 1.00 1.47 H ATOM 216 N PRO A 15 -0.635 -0.527 -0.068 1.00 0.20 N ATOM 217 CA PRO A 15 -1.728 -0.811 0.841 1.00 0.23 C ATOM 218 C PRO A 15 -2.818 0.234 0.714 1.00 0.20 C ATOM 219 O PRO A 15 -3.958 -0.008 1.085 1.00 0.30 O ATOM 220 CB PRO A 15 -1.085 -0.769 2.223 1.00 0.32 C ATOM 221 CG PRO A 15 0.090 0.134 2.079 1.00 0.31 C ATOM 222 CD PRO A 15 0.510 0.092 0.630 1.00 0.24 C ATOM 223 HA PRO A 15 -2.146 -1.790 0.659 1.00 0.26 H ATOM 224 HB2 PRO A 15 -1.797 -0.382 2.940 1.00 0.36 H ATOM 225 HB3 PRO A 15 -0.782 -1.765 2.512 1.00 0.39 H ATOM 226 HG2 PRO A 15 -0.192 1.140 2.352 1.00 0.34 H ATOM 227 HG3 PRO A 15 0.894 -0.211 2.711 1.00 0.40 H ATOM 228 HD2 PRO A 15 0.677 1.098 0.266 1.00 0.25 H ATOM 229 HD3 PRO A 15 1.402 -0.505 0.515 1.00 0.32 H ATOM 230 N PHE A 16 -2.456 1.394 0.172 1.00 0.16 N ATOM 231 CA PHE A 16 -3.409 2.463 -0.054 1.00 0.22 C ATOM 232 C PHE A 16 -4.456 2.044 -1.083 1.00 0.22 C ATOM 233 O PHE A 16 -5.644 1.972 -0.778 1.00 0.32 O ATOM 234 CB PHE A 16 -2.683 3.716 -0.535 1.00 0.29 C ATOM 235 CG PHE A 16 -3.391 4.986 -0.182 1.00 0.43 C ATOM 236 CD1 PHE A 16 -4.281 5.551 -1.074 1.00 0.57 C ATOM 237 CD2 PHE A 16 -3.165 5.615 1.030 1.00 0.76 C ATOM 238 CE1 PHE A 16 -4.940 6.725 -0.766 1.00 0.80 C ATOM 239 CE2 PHE A 16 -3.821 6.789 1.346 1.00 1.01 C ATOM 240 CZ PHE A 16 -4.695 7.339 0.501 1.00 0.98 C ATOM 241 H PHE A 16 -1.511 1.541 -0.064 1.00 0.17 H ATOM 242 HA PHE A 16 -3.901 2.677 0.882 1.00 0.30 H ATOM 243 HB2 PHE A 16 -1.700 3.748 -0.090 1.00 0.45 H ATOM 244 HB3 PHE A 16 -2.586 3.676 -1.611 1.00 0.40 H ATOM 245 HD1 PHE A 16 -4.461 5.059 -2.021 1.00 0.71 H ATOM 246 HD2 PHE A 16 -2.471 5.179 1.732 1.00 0.91 H ATOM 247 HE1 PHE A 16 -5.634 7.157 -1.473 1.00 0.97 H ATOM 248 HE2 PHE A 16 -3.637 7.271 2.294 1.00 1.32 H ATOM 249 HZ PHE A 16 -5.201 8.256 0.769 1.00 1.21 H ATOM 250 N LEU A 17 -4.007 1.741 -2.295 1.00 0.22 N ATOM 251 CA LEU A 17 -4.911 1.395 -3.383 1.00 0.33 C ATOM 252 C LEU A 17 -5.626 0.076 -3.121 1.00 0.33 C ATOM 253 O LEU A 17 -6.813 -0.063 -3.421 1.00 0.44 O ATOM 254 CB LEU A 17 -4.157 1.333 -4.714 1.00 0.45 C ATOM 255 CG LEU A 17 -3.983 2.674 -5.443 1.00 1.03 C ATOM 256 CD1 LEU A 17 -5.335 3.323 -5.704 1.00 1.93 C ATOM 257 CD2 LEU A 17 -3.084 3.616 -4.656 1.00 1.50 C ATOM 258 H LEU A 17 -3.041 1.751 -2.465 1.00 0.22 H ATOM 259 HA LEU A 17 -5.654 2.175 -3.445 1.00 0.43 H ATOM 260 HB2 LEU A 17 -3.177 0.923 -4.525 1.00 0.63 H ATOM 261 HB3 LEU A 17 -4.686 0.661 -5.366 1.00 0.90 H ATOM 262 HG LEU A 17 -3.518 2.490 -6.400 1.00 1.42 H ATOM 263 HD11 LEU A 17 -5.806 3.571 -4.763 1.00 2.42 H ATOM 264 HD12 LEU A 17 -5.965 2.637 -6.251 1.00 2.41 H ATOM 265 HD13 LEU A 17 -5.196 4.224 -6.284 1.00 2.41 H ATOM 266 HD21 LEU A 17 -3.526 3.810 -3.691 1.00 1.95 H ATOM 267 HD22 LEU A 17 -2.976 4.545 -5.196 1.00 2.00 H ATOM 268 HD23 LEU A 17 -2.113 3.162 -4.524 1.00 1.99 H ATOM 269 N GLN A 18 -4.913 -0.887 -2.549 1.00 0.30 N ATOM 270 CA GLN A 18 -5.515 -2.168 -2.200 1.00 0.40 C ATOM 271 C GLN A 18 -6.514 -1.997 -1.058 1.00 0.46 C ATOM 272 O GLN A 18 -7.465 -2.772 -0.924 1.00 0.56 O ATOM 273 CB GLN A 18 -4.433 -3.191 -1.845 1.00 0.48 C ATOM 274 CG GLN A 18 -3.657 -3.675 -3.062 1.00 0.66 C ATOM 275 CD GLN A 18 -2.463 -4.542 -2.710 1.00 1.28 C ATOM 276 OE1 GLN A 18 -2.579 -5.763 -2.586 1.00 2.28 O ATOM 277 NE2 GLN A 18 -1.306 -3.919 -2.560 1.00 1.17 N ATOM 278 H GLN A 18 -3.960 -0.735 -2.363 1.00 0.27 H ATOM 279 HA GLN A 18 -6.053 -2.520 -3.067 1.00 0.47 H ATOM 280 HB2 GLN A 18 -3.737 -2.742 -1.151 1.00 0.54 H ATOM 281 HB3 GLN A 18 -4.898 -4.046 -1.376 1.00 0.64 H ATOM 282 HG2 GLN A 18 -4.322 -4.251 -3.688 1.00 1.02 H ATOM 283 HG3 GLN A 18 -3.307 -2.814 -3.613 1.00 1.38 H ATOM 284 HE21 GLN A 18 -1.292 -2.944 -2.680 1.00 0.85 H ATOM 285 HE22 GLN A 18 -0.510 -4.452 -2.350 1.00 1.83 H ATOM 286 N HIS A 19 -6.311 -0.962 -0.248 1.00 0.46 N ATOM 287 CA HIS A 19 -7.272 -0.615 0.787 1.00 0.61 C ATOM 288 C HIS A 19 -8.520 -0.064 0.134 1.00 0.67 C ATOM 289 O HIS A 19 -9.621 -0.410 0.516 1.00 0.82 O ATOM 290 CB HIS A 19 -6.710 0.431 1.751 1.00 0.71 C ATOM 291 CG HIS A 19 -7.473 0.557 3.037 1.00 0.90 C ATOM 292 ND1 HIS A 19 -8.804 0.923 3.110 1.00 1.24 N ATOM 293 CD2 HIS A 19 -7.074 0.352 4.312 1.00 1.01 C ATOM 294 CE1 HIS A 19 -9.183 0.939 4.373 1.00 1.42 C ATOM 295 NE2 HIS A 19 -8.153 0.595 5.121 1.00 1.29 N ATOM 296 H HIS A 19 -5.496 -0.426 -0.347 1.00 0.42 H ATOM 297 HA HIS A 19 -7.523 -1.513 1.332 1.00 0.67 H ATOM 298 HB2 HIS A 19 -5.692 0.169 1.998 1.00 0.75 H ATOM 299 HB3 HIS A 19 -6.717 1.397 1.265 1.00 0.79 H ATOM 300 HD1 HIS A 19 -9.395 1.139 2.344 1.00 1.42 H ATOM 301 HD2 HIS A 19 -6.085 0.051 4.633 1.00 1.06 H ATOM 302 HE1 HIS A 19 -10.171 1.187 4.734 1.00 1.72 H ATOM 303 HE2 HIS A 19 -8.122 0.662 6.104 1.00 1.48 H ATOM 304 N LYS A 20 -8.332 0.766 -0.885 1.00 0.65 N ATOM 305 CA LYS A 20 -9.446 1.446 -1.537 1.00 0.81 C ATOM 306 C LYS A 20 -10.229 0.453 -2.373 1.00 0.82 C ATOM 307 O LYS A 20 -11.415 0.631 -2.642 1.00 0.98 O ATOM 308 CB LYS A 20 -8.938 2.583 -2.422 1.00 0.97 C ATOM 309 CG LYS A 20 -8.061 3.589 -1.694 1.00 0.98 C ATOM 310 CD LYS A 20 -8.798 4.257 -0.542 1.00 1.26 C ATOM 311 CE LYS A 20 -9.916 5.163 -1.038 1.00 1.81 C ATOM 312 NZ LYS A 20 -9.397 6.273 -1.882 1.00 2.38 N ATOM 313 H LYS A 20 -7.421 0.905 -1.229 1.00 0.60 H ATOM 314 HA LYS A 20 -10.089 1.848 -0.774 1.00 0.91 H ATOM 315 HB2 LYS A 20 -8.366 2.157 -3.226 1.00 1.52 H ATOM 316 HB3 LYS A 20 -9.786 3.107 -2.836 1.00 1.46 H ATOM 317 HG2 LYS A 20 -7.191 3.079 -1.305 1.00 1.41 H ATOM 318 HG3 LYS A 20 -7.747 4.349 -2.395 1.00 1.49 H ATOM 319 HD2 LYS A 20 -9.223 3.493 0.092 1.00 1.62 H ATOM 320 HD3 LYS A 20 -8.095 4.845 0.026 1.00 1.69 H ATOM 321 HE2 LYS A 20 -10.610 4.574 -1.619 1.00 2.31 H ATOM 322 HE3 LYS A 20 -10.428 5.580 -0.183 1.00 2.26 H ATOM 323 HZ1 LYS A 20 -10.152 6.850 -2.189 1.00 2.71 H ATOM 324 HZ2 LYS A 20 -8.925 5.909 -2.684 1.00 2.79 H ATOM 325 HZ3 LYS A 20 -8.755 6.834 -1.356 1.00 2.74 H ATOM 326 N LEU A 21 -9.531 -0.592 -2.774 1.00 0.74 N ATOM 327 CA LEU A 21 -10.107 -1.669 -3.549 1.00 0.86 C ATOM 328 C LEU A 21 -11.221 -2.359 -2.767 1.00 0.96 C ATOM 329 O LEU A 21 -12.243 -2.744 -3.333 1.00 1.14 O ATOM 330 CB LEU A 21 -9.004 -2.667 -3.901 1.00 0.84 C ATOM 331 CG LEU A 21 -9.351 -3.684 -4.991 1.00 1.10 C ATOM 332 CD1 LEU A 21 -9.682 -2.983 -6.298 1.00 1.65 C ATOM 333 CD2 LEU A 21 -8.202 -4.662 -5.189 1.00 1.80 C ATOM 334 H LEU A 21 -8.576 -0.631 -2.551 1.00 0.66 H ATOM 335 HA LEU A 21 -10.513 -1.252 -4.457 1.00 0.99 H ATOM 336 HB2 LEU A 21 -8.135 -2.104 -4.212 1.00 0.79 H ATOM 337 HB3 LEU A 21 -8.749 -3.211 -3.003 1.00 0.80 H ATOM 338 HG LEU A 21 -10.222 -4.247 -4.685 1.00 1.61 H ATOM 339 HD11 LEU A 21 -9.901 -3.718 -7.057 1.00 2.13 H ATOM 340 HD12 LEU A 21 -8.837 -2.385 -6.609 1.00 2.12 H ATOM 341 HD13 LEU A 21 -10.541 -2.345 -6.158 1.00 2.18 H ATOM 342 HD21 LEU A 21 -8.002 -5.175 -4.259 1.00 2.31 H ATOM 343 HD22 LEU A 21 -7.320 -4.123 -5.499 1.00 2.31 H ATOM 344 HD23 LEU A 21 -8.470 -5.383 -5.947 1.00 2.27 H ATOM 345 N THR A 22 -11.019 -2.504 -1.464 1.00 0.92 N ATOM 346 CA THR A 22 -12.003 -3.156 -0.608 1.00 1.10 C ATOM 347 C THR A 22 -12.788 -2.141 0.234 1.00 1.19 C ATOM 348 O THR A 22 -13.978 -2.330 0.503 1.00 1.44 O ATOM 349 CB THR A 22 -11.328 -4.197 0.315 1.00 1.19 C ATOM 350 OG1 THR A 22 -12.287 -4.769 1.211 1.00 1.81 O ATOM 351 CG2 THR A 22 -10.188 -3.580 1.114 1.00 1.51 C ATOM 352 H THR A 22 -10.181 -2.174 -1.069 1.00 0.84 H ATOM 353 HA THR A 22 -12.697 -3.679 -1.250 1.00 1.23 H ATOM 354 HB THR A 22 -10.921 -4.984 -0.303 1.00 1.62 H ATOM 355 HG1 THR A 22 -12.090 -5.706 1.329 1.00 2.30 H ATOM 356 HG21 THR A 22 -9.437 -3.198 0.436 1.00 1.97 H ATOM 357 HG22 THR A 22 -9.747 -4.330 1.753 1.00 2.04 H ATOM 358 HG23 THR A 22 -10.570 -2.770 1.720 1.00 1.95 H ATOM 359 N ASN A 23 -12.127 -1.064 0.629 1.00 1.13 N ATOM 360 CA ASN A 23 -12.711 -0.071 1.519 1.00 1.33 C ATOM 361 C ASN A 23 -12.146 1.306 1.194 1.00 1.94 C ATOM 362 O ASN A 23 -11.065 1.654 1.721 1.00 2.64 O ATOM 363 CB ASN A 23 -12.420 -0.441 2.981 1.00 1.97 C ATOM 364 CG ASN A 23 -13.122 0.458 3.988 1.00 2.54 C ATOM 365 OD1 ASN A 23 -13.366 1.639 3.743 1.00 3.05 O ATOM 366 ND2 ASN A 23 -13.447 -0.099 5.142 1.00 3.13 N ATOM 367 OXT ASN A 23 -12.777 2.029 0.397 1.00 2.58 O ATOM 368 H ASN A 23 -11.213 -0.919 0.302 1.00 1.07 H ATOM 369 HA ASN A 23 -13.777 -0.061 1.359 1.00 1.77 H ATOM 370 HB2 ASN A 23 -12.742 -1.456 3.156 1.00 2.48 H ATOM 371 HB3 ASN A 23 -11.356 -0.375 3.152 1.00 2.44 H ATOM 372 HD21 ASN A 23 -13.221 -1.044 5.282 1.00 3.26 H ATOM 373 HD22 ASN A 23 -13.897 0.456 5.813 1.00 3.71 H TER 374 ASN A 23 ENDMDL MODEL 14 ATOM 1 N VAL A 1 5.510 -7.077 2.332 1.00 1.27 N ATOM 2 CA VAL A 1 5.856 -6.399 1.057 1.00 1.06 C ATOM 3 C VAL A 1 6.734 -5.170 1.282 1.00 0.70 C ATOM 4 O VAL A 1 6.331 -4.045 0.990 1.00 1.03 O ATOM 5 CB VAL A 1 4.598 -5.959 0.288 1.00 1.23 C ATOM 6 CG1 VAL A 1 3.948 -7.144 -0.409 1.00 1.80 C ATOM 7 CG2 VAL A 1 3.595 -5.270 1.210 1.00 1.58 C ATOM 8 H1 VAL A 1 4.928 -7.871 2.151 1.00 1.67 H ATOM 9 H2 VAL A 1 5.022 -6.451 2.937 1.00 1.64 H ATOM 10 H3 VAL A 1 6.343 -7.386 2.793 1.00 1.65 H ATOM 11 HA VAL A 1 6.398 -7.100 0.440 1.00 1.35 H ATOM 12 HB VAL A 1 4.910 -5.250 -0.457 1.00 1.79 H ATOM 13 HG11 VAL A 1 3.086 -6.806 -0.964 1.00 2.29 H ATOM 14 HG12 VAL A 1 3.641 -7.869 0.327 1.00 2.21 H ATOM 15 HG13 VAL A 1 4.658 -7.597 -1.085 1.00 2.30 H ATOM 16 HG21 VAL A 1 2.716 -5.001 0.645 1.00 2.05 H ATOM 17 HG22 VAL A 1 4.041 -4.377 1.627 1.00 2.00 H ATOM 18 HG23 VAL A 1 3.319 -5.942 2.009 1.00 2.09 H ATOM 19 N LEU A 2 7.944 -5.378 1.778 1.00 0.51 N ATOM 20 CA LEU A 2 8.824 -4.259 2.092 1.00 0.77 C ATOM 21 C LEU A 2 10.291 -4.676 2.172 1.00 0.48 C ATOM 22 O LEU A 2 10.849 -4.885 3.248 1.00 0.60 O ATOM 23 CB LEU A 2 8.391 -3.569 3.379 1.00 1.37 C ATOM 24 CG LEU A 2 8.213 -4.455 4.618 1.00 2.23 C ATOM 25 CD1 LEU A 2 8.349 -3.621 5.881 1.00 3.06 C ATOM 26 CD2 LEU A 2 6.853 -5.140 4.601 1.00 2.69 C ATOM 27 H LEU A 2 8.256 -6.294 1.918 1.00 0.74 H ATOM 28 HA LEU A 2 8.728 -3.549 1.284 1.00 1.13 H ATOM 29 HB2 LEU A 2 9.122 -2.815 3.603 1.00 1.34 H ATOM 30 HB3 LEU A 2 7.454 -3.083 3.177 1.00 1.54 H ATOM 31 HG LEU A 2 8.978 -5.217 4.630 1.00 2.48 H ATOM 32 HD11 LEU A 2 7.603 -2.840 5.878 1.00 3.41 H ATOM 33 HD12 LEU A 2 9.334 -3.178 5.915 1.00 3.47 H ATOM 34 HD13 LEU A 2 8.207 -4.252 6.746 1.00 3.48 H ATOM 35 HD21 LEU A 2 6.078 -4.402 4.743 1.00 3.03 H ATOM 36 HD22 LEU A 2 6.807 -5.871 5.393 1.00 3.01 H ATOM 37 HD23 LEU A 2 6.710 -5.630 3.646 1.00 3.05 H ATOM 38 N PRO A 3 10.916 -4.803 1.003 1.00 0.32 N ATOM 39 CA PRO A 3 12.321 -5.170 0.853 1.00 0.25 C ATOM 40 C PRO A 3 13.267 -3.973 1.018 1.00 0.28 C ATOM 41 O PRO A 3 14.210 -4.020 1.809 1.00 0.49 O ATOM 42 CB PRO A 3 12.384 -5.717 -0.587 1.00 0.45 C ATOM 43 CG PRO A 3 10.982 -5.636 -1.120 1.00 0.63 C ATOM 44 CD PRO A 3 10.283 -4.607 -0.283 1.00 0.54 C ATOM 45 HA PRO A 3 12.604 -5.946 1.547 1.00 0.36 H ATOM 46 HB2 PRO A 3 13.062 -5.113 -1.172 1.00 0.67 H ATOM 47 HB3 PRO A 3 12.737 -6.738 -0.568 1.00 0.55 H ATOM 48 HG2 PRO A 3 10.999 -5.327 -2.155 1.00 0.89 H ATOM 49 HG3 PRO A 3 10.495 -6.595 -1.021 1.00 0.97 H ATOM 50 HD2 PRO A 3 10.472 -3.614 -0.658 1.00 0.65 H ATOM 51 HD3 PRO A 3 9.219 -4.797 -0.211 1.00 0.82 H ATOM 52 N ALA A 4 12.997 -2.897 0.276 1.00 0.18 N ATOM 53 CA ALA A 4 13.824 -1.693 0.327 1.00 0.22 C ATOM 54 C ALA A 4 13.071 -0.492 -0.246 1.00 0.19 C ATOM 55 O ALA A 4 12.576 0.352 0.498 1.00 0.21 O ATOM 56 CB ALA A 4 15.131 -1.909 -0.421 1.00 0.30 C ATOM 57 H ALA A 4 12.228 -2.917 -0.324 1.00 0.21 H ATOM 58 HA ALA A 4 14.057 -1.494 1.363 1.00 0.27 H ATOM 59 HB1 ALA A 4 14.920 -2.089 -1.464 1.00 1.08 H ATOM 60 HB2 ALA A 4 15.647 -2.761 -0.006 1.00 1.06 H ATOM 61 HB3 ALA A 4 15.750 -1.030 -0.325 1.00 1.07 H ATOM 62 N LEU A 5 12.970 -0.421 -1.568 1.00 0.23 N ATOM 63 CA LEU A 5 12.210 0.650 -2.204 1.00 0.27 C ATOM 64 C LEU A 5 10.705 0.462 -1.972 1.00 0.24 C ATOM 65 O LEU A 5 10.028 1.401 -1.551 1.00 0.26 O ATOM 66 CB LEU A 5 12.538 0.760 -3.701 1.00 0.41 C ATOM 67 CG LEU A 5 11.716 1.791 -4.478 1.00 1.24 C ATOM 68 CD1 LEU A 5 11.981 3.197 -3.960 1.00 1.89 C ATOM 69 CD2 LEU A 5 12.029 1.704 -5.961 1.00 2.00 C ATOM 70 H LEU A 5 13.418 -1.094 -2.126 1.00 0.28 H ATOM 71 HA LEU A 5 12.505 1.570 -1.723 1.00 0.29 H ATOM 72 HB2 LEU A 5 13.581 1.023 -3.794 1.00 0.90 H ATOM 73 HB3 LEU A 5 12.390 -0.202 -4.157 1.00 0.93 H ATOM 74 HG LEU A 5 10.666 1.579 -4.345 1.00 1.99 H ATOM 75 HD11 LEU A 5 11.384 3.904 -4.517 1.00 2.35 H ATOM 76 HD12 LEU A 5 13.027 3.435 -4.083 1.00 2.40 H ATOM 77 HD13 LEU A 5 11.721 3.250 -2.913 1.00 2.34 H ATOM 78 HD21 LEU A 5 11.436 2.429 -6.499 1.00 2.46 H ATOM 79 HD22 LEU A 5 11.796 0.712 -6.321 1.00 2.45 H ATOM 80 HD23 LEU A 5 13.077 1.906 -6.122 1.00 2.53 H ATOM 81 N PRO A 6 10.147 -0.752 -2.210 1.00 0.27 N ATOM 82 CA PRO A 6 8.749 -1.045 -1.871 1.00 0.31 C ATOM 83 C PRO A 6 8.498 -0.976 -0.366 1.00 0.27 C ATOM 84 O PRO A 6 7.362 -1.055 0.087 1.00 0.36 O ATOM 85 CB PRO A 6 8.521 -2.470 -2.387 1.00 0.39 C ATOM 86 CG PRO A 6 9.632 -2.724 -3.341 1.00 0.40 C ATOM 87 CD PRO A 6 10.793 -1.910 -2.853 1.00 0.32 C ATOM 88 HA PRO A 6 8.076 -0.365 -2.374 1.00 0.37 H ATOM 89 HB2 PRO A 6 8.548 -3.160 -1.557 1.00 0.39 H ATOM 90 HB3 PRO A 6 7.561 -2.528 -2.877 1.00 0.49 H ATOM 91 HG2 PRO A 6 9.884 -3.774 -3.340 1.00 0.42 H ATOM 92 HG3 PRO A 6 9.344 -2.410 -4.333 1.00 0.48 H ATOM 93 HD2 PRO A 6 11.379 -2.469 -2.137 1.00 0.30 H ATOM 94 HD3 PRO A 6 11.405 -1.600 -3.681 1.00 0.40 H ATOM 95 N LEU A 7 9.567 -0.838 0.408 1.00 0.19 N ATOM 96 CA LEU A 7 9.442 -0.696 1.848 1.00 0.23 C ATOM 97 C LEU A 7 8.839 0.663 2.176 1.00 0.24 C ATOM 98 O LEU A 7 7.880 0.756 2.935 1.00 0.35 O ATOM 99 CB LEU A 7 10.812 -0.880 2.522 1.00 0.27 C ATOM 100 CG LEU A 7 10.834 -0.842 4.055 1.00 0.45 C ATOM 101 CD1 LEU A 7 12.006 -1.657 4.576 1.00 0.69 C ATOM 102 CD2 LEU A 7 10.939 0.590 4.563 1.00 0.68 C ATOM 103 H LEU A 7 10.455 -0.812 -0.001 1.00 0.15 H ATOM 104 HA LEU A 7 8.770 -1.465 2.198 1.00 0.31 H ATOM 105 HB2 LEU A 7 11.212 -1.833 2.206 1.00 0.25 H ATOM 106 HB3 LEU A 7 11.468 -0.103 2.159 1.00 0.27 H ATOM 107 HG LEU A 7 9.924 -1.272 4.441 1.00 0.66 H ATOM 108 HD11 LEU A 7 12.928 -1.249 4.190 1.00 1.29 H ATOM 109 HD12 LEU A 7 11.902 -2.682 4.254 1.00 1.26 H ATOM 110 HD13 LEU A 7 12.019 -1.618 5.655 1.00 1.30 H ATOM 111 HD21 LEU A 7 11.839 1.044 4.177 1.00 1.29 H ATOM 112 HD22 LEU A 7 10.972 0.587 5.642 1.00 1.26 H ATOM 113 HD23 LEU A 7 10.080 1.153 4.229 1.00 1.28 H ATOM 114 N LEU A 8 9.389 1.716 1.595 1.00 0.18 N ATOM 115 CA LEU A 8 8.855 3.048 1.824 1.00 0.20 C ATOM 116 C LEU A 8 7.820 3.400 0.768 1.00 0.18 C ATOM 117 O LEU A 8 6.651 3.624 1.083 1.00 0.16 O ATOM 118 CB LEU A 8 9.980 4.082 1.835 1.00 0.33 C ATOM 119 CG LEU A 8 9.527 5.528 2.035 1.00 0.36 C ATOM 120 CD1 LEU A 8 8.781 5.678 3.351 1.00 0.61 C ATOM 121 CD2 LEU A 8 10.719 6.472 1.979 1.00 0.66 C ATOM 122 H LEU A 8 10.159 1.594 0.993 1.00 0.19 H ATOM 123 HA LEU A 8 8.369 3.048 2.790 1.00 0.21 H ATOM 124 HB2 LEU A 8 10.668 3.828 2.629 1.00 0.39 H ATOM 125 HB3 LEU A 8 10.506 4.021 0.894 1.00 0.37 H ATOM 126 HG LEU A 8 8.849 5.794 1.239 1.00 0.53 H ATOM 127 HD11 LEU A 8 7.883 5.079 3.325 1.00 1.23 H ATOM 128 HD12 LEU A 8 8.518 6.715 3.498 1.00 1.28 H ATOM 129 HD13 LEU A 8 9.412 5.348 4.163 1.00 1.21 H ATOM 130 HD21 LEU A 8 11.201 6.386 1.017 1.00 1.30 H ATOM 131 HD22 LEU A 8 11.420 6.212 2.757 1.00 1.24 H ATOM 132 HD23 LEU A 8 10.381 7.487 2.123 1.00 1.28 H ATOM 133 N ALA A 9 8.253 3.418 -0.484 1.00 0.28 N ATOM 134 CA ALA A 9 7.382 3.769 -1.597 1.00 0.38 C ATOM 135 C ALA A 9 6.225 2.788 -1.701 1.00 0.38 C ATOM 136 O ALA A 9 5.075 3.176 -1.924 1.00 0.44 O ATOM 137 CB ALA A 9 8.182 3.783 -2.887 1.00 0.51 C ATOM 138 H ALA A 9 9.188 3.181 -0.669 1.00 0.32 H ATOM 139 HA ALA A 9 6.994 4.763 -1.425 1.00 0.40 H ATOM 140 HB1 ALA A 9 7.527 4.005 -3.717 1.00 1.20 H ATOM 141 HB2 ALA A 9 8.637 2.814 -3.033 1.00 1.12 H ATOM 142 HB3 ALA A 9 8.953 4.535 -2.823 1.00 1.13 H ATOM 143 N GLY A 10 6.539 1.517 -1.512 1.00 0.35 N ATOM 144 CA GLY A 10 5.535 0.482 -1.588 1.00 0.45 C ATOM 145 C GLY A 10 4.526 0.570 -0.465 1.00 0.41 C ATOM 146 O GLY A 10 3.324 0.531 -0.709 1.00 0.52 O ATOM 147 H GLY A 10 7.468 1.280 -1.318 1.00 0.31 H ATOM 148 HA2 GLY A 10 5.020 0.566 -2.532 1.00 0.55 H ATOM 149 HA3 GLY A 10 6.023 -0.481 -1.543 1.00 0.48 H ATOM 150 N LEU A 11 5.014 0.726 0.766 1.00 0.29 N ATOM 151 CA LEU A 11 4.148 0.758 1.948 1.00 0.31 C ATOM 152 C LEU A 11 3.183 1.933 1.931 1.00 0.23 C ATOM 153 O LEU A 11 2.257 1.998 2.738 1.00 0.22 O ATOM 154 CB LEU A 11 4.990 0.813 3.220 1.00 0.35 C ATOM 155 CG LEU A 11 5.031 -0.488 4.018 1.00 0.53 C ATOM 156 CD1 LEU A 11 3.660 -0.811 4.598 1.00 0.65 C ATOM 157 CD2 LEU A 11 5.512 -1.618 3.129 1.00 0.57 C ATOM 158 H LEU A 11 5.987 0.814 0.887 1.00 0.23 H ATOM 159 HA LEU A 11 3.574 -0.159 1.955 1.00 0.43 H ATOM 160 HB2 LEU A 11 6.003 1.068 2.941 1.00 0.28 H ATOM 161 HB3 LEU A 11 4.607 1.593 3.856 1.00 0.37 H ATOM 162 HG LEU A 11 5.727 -0.383 4.837 1.00 0.59 H ATOM 163 HD11 LEU A 11 3.341 0.000 5.237 1.00 1.25 H ATOM 164 HD12 LEU A 11 3.720 -1.722 5.174 1.00 1.20 H ATOM 165 HD13 LEU A 11 2.950 -0.938 3.795 1.00 1.22 H ATOM 166 HD21 LEU A 11 6.527 -1.420 2.820 1.00 1.16 H ATOM 167 HD22 LEU A 11 4.878 -1.680 2.256 1.00 1.17 H ATOM 168 HD23 LEU A 11 5.473 -2.550 3.673 1.00 1.19 H ATOM 169 N MET A 12 3.400 2.861 1.024 1.00 0.21 N ATOM 170 CA MET A 12 2.528 4.017 0.926 1.00 0.18 C ATOM 171 C MET A 12 1.359 3.754 -0.014 1.00 0.17 C ATOM 172 O MET A 12 0.212 3.658 0.417 1.00 0.17 O ATOM 173 CB MET A 12 3.316 5.223 0.421 1.00 0.21 C ATOM 174 CG MET A 12 4.374 5.711 1.392 1.00 0.24 C ATOM 175 SD MET A 12 3.678 6.194 2.984 1.00 1.46 S ATOM 176 CE MET A 12 5.150 6.749 3.841 1.00 2.10 C ATOM 177 H MET A 12 4.164 2.766 0.416 1.00 0.22 H ATOM 178 HA MET A 12 2.146 4.233 1.911 1.00 0.19 H ATOM 179 HB2 MET A 12 3.804 4.950 -0.507 1.00 0.23 H ATOM 180 HB3 MET A 12 2.628 6.034 0.231 1.00 0.22 H ATOM 181 HG2 MET A 12 5.090 4.918 1.553 1.00 0.82 H ATOM 182 HG3 MET A 12 4.875 6.564 0.960 1.00 0.85 H ATOM 183 HE1 MET A 12 5.845 5.927 3.930 1.00 2.56 H ATOM 184 HE2 MET A 12 4.883 7.103 4.824 1.00 2.58 H ATOM 185 HE3 MET A 12 5.610 7.550 3.282 1.00 2.52 H ATOM 186 N SER A 13 1.664 3.557 -1.284 1.00 0.19 N ATOM 187 CA SER A 13 0.631 3.524 -2.308 1.00 0.22 C ATOM 188 C SER A 13 0.048 2.127 -2.501 1.00 0.19 C ATOM 189 O SER A 13 -1.137 1.980 -2.803 1.00 0.22 O ATOM 190 CB SER A 13 1.206 4.039 -3.626 1.00 0.32 C ATOM 191 OG SER A 13 1.842 5.297 -3.446 1.00 1.27 O ATOM 192 H SER A 13 2.606 3.449 -1.543 1.00 0.22 H ATOM 193 HA SER A 13 -0.160 4.186 -1.995 1.00 0.24 H ATOM 194 HB2 SER A 13 1.932 3.333 -3.999 1.00 1.07 H ATOM 195 HB3 SER A 13 0.408 4.151 -4.344 1.00 1.01 H ATOM 196 HG SER A 13 1.374 5.801 -2.763 1.00 1.76 H ATOM 197 N LEU A 14 0.868 1.106 -2.305 1.00 0.21 N ATOM 198 CA LEU A 14 0.469 -0.262 -2.609 1.00 0.24 C ATOM 199 C LEU A 14 -0.670 -0.742 -1.701 1.00 0.21 C ATOM 200 O LEU A 14 -1.703 -1.181 -2.204 1.00 0.27 O ATOM 201 CB LEU A 14 1.675 -1.207 -2.540 1.00 0.30 C ATOM 202 CG LEU A 14 2.592 -1.218 -3.774 1.00 0.37 C ATOM 203 CD1 LEU A 14 1.890 -1.879 -4.950 1.00 0.95 C ATOM 204 CD2 LEU A 14 3.027 0.196 -4.154 1.00 0.83 C ATOM 205 H LEU A 14 1.761 1.269 -1.934 1.00 0.24 H ATOM 206 HA LEU A 14 0.100 -0.260 -3.625 1.00 0.27 H ATOM 207 HB2 LEU A 14 2.270 -0.927 -1.683 1.00 0.29 H ATOM 208 HB3 LEU A 14 1.309 -2.208 -2.384 1.00 0.34 H ATOM 209 HG LEU A 14 3.479 -1.792 -3.551 1.00 0.79 H ATOM 210 HD11 LEU A 14 0.998 -1.322 -5.198 1.00 1.52 H ATOM 211 HD12 LEU A 14 1.619 -2.890 -4.684 1.00 1.53 H ATOM 212 HD13 LEU A 14 2.552 -1.897 -5.802 1.00 1.53 H ATOM 213 HD21 LEU A 14 2.200 0.711 -4.621 1.00 1.40 H ATOM 214 HD22 LEU A 14 3.858 0.149 -4.840 1.00 1.45 H ATOM 215 HD23 LEU A 14 3.322 0.734 -3.264 1.00 1.47 H ATOM 216 N PRO A 15 -0.534 -0.665 -0.360 1.00 0.20 N ATOM 217 CA PRO A 15 -1.615 -1.066 0.532 1.00 0.23 C ATOM 218 C PRO A 15 -2.734 -0.031 0.557 1.00 0.20 C ATOM 219 O PRO A 15 -3.869 -0.347 0.899 1.00 0.30 O ATOM 220 CB PRO A 15 -0.942 -1.178 1.897 1.00 0.32 C ATOM 221 CG PRO A 15 0.211 -0.242 1.831 1.00 0.31 C ATOM 222 CD PRO A 15 0.653 -0.207 0.392 1.00 0.24 C ATOM 223 HA PRO A 15 -2.023 -2.024 0.246 1.00 0.26 H ATOM 224 HB2 PRO A 15 -1.640 -0.893 2.671 1.00 0.36 H ATOM 225 HB3 PRO A 15 -0.615 -2.196 2.057 1.00 0.39 H ATOM 226 HG2 PRO A 15 -0.100 0.741 2.150 1.00 0.34 H ATOM 227 HG3 PRO A 15 1.011 -0.603 2.460 1.00 0.40 H ATOM 228 HD2 PRO A 15 0.920 0.802 0.107 1.00 0.25 H ATOM 229 HD3 PRO A 15 1.486 -0.876 0.239 1.00 0.32 H ATOM 230 N PHE A 16 -2.407 1.204 0.181 1.00 0.16 N ATOM 231 CA PHE A 16 -3.391 2.276 0.138 1.00 0.22 C ATOM 232 C PHE A 16 -4.470 1.969 -0.897 1.00 0.22 C ATOM 233 O PHE A 16 -5.643 1.813 -0.556 1.00 0.32 O ATOM 234 CB PHE A 16 -2.708 3.597 -0.204 1.00 0.29 C ATOM 235 CG PHE A 16 -3.280 4.776 0.523 1.00 0.43 C ATOM 236 CD1 PHE A 16 -4.426 5.394 0.053 1.00 0.57 C ATOM 237 CD2 PHE A 16 -2.679 5.264 1.668 1.00 0.76 C ATOM 238 CE1 PHE A 16 -4.962 6.481 0.713 1.00 0.80 C ATOM 239 CE2 PHE A 16 -3.210 6.350 2.334 1.00 1.01 C ATOM 240 CZ PHE A 16 -4.328 6.956 1.882 1.00 0.98 C ATOM 241 H PHE A 16 -1.475 1.405 -0.060 1.00 0.17 H ATOM 242 HA PHE A 16 -3.848 2.353 1.112 1.00 0.30 H ATOM 243 HB2 PHE A 16 -1.661 3.529 0.049 1.00 0.45 H ATOM 244 HB3 PHE A 16 -2.805 3.781 -1.264 1.00 0.40 H ATOM 245 HD1 PHE A 16 -4.902 5.017 -0.841 1.00 0.71 H ATOM 246 HD2 PHE A 16 -1.787 4.787 2.042 1.00 0.91 H ATOM 247 HE1 PHE A 16 -5.856 6.956 0.336 1.00 0.97 H ATOM 248 HE2 PHE A 16 -2.731 6.723 3.225 1.00 1.32 H ATOM 249 HZ PHE A 16 -4.736 7.804 2.410 1.00 1.21 H ATOM 250 N LEU A 17 -4.059 1.868 -2.156 1.00 0.22 N ATOM 251 CA LEU A 17 -4.975 1.599 -3.254 1.00 0.33 C ATOM 252 C LEU A 17 -5.684 0.264 -3.064 1.00 0.33 C ATOM 253 O LEU A 17 -6.899 0.172 -3.229 1.00 0.44 O ATOM 254 CB LEU A 17 -4.228 1.611 -4.591 1.00 0.45 C ATOM 255 CG LEU A 17 -4.029 2.990 -5.239 1.00 1.03 C ATOM 256 CD1 LEU A 17 -5.368 3.657 -5.507 1.00 1.93 C ATOM 257 CD2 LEU A 17 -3.156 3.886 -4.375 1.00 1.50 C ATOM 258 H LEU A 17 -3.107 1.980 -2.356 1.00 0.22 H ATOM 259 HA LEU A 17 -5.715 2.383 -3.261 1.00 0.43 H ATOM 260 HB2 LEU A 17 -3.254 1.172 -4.432 1.00 0.63 H ATOM 261 HB3 LEU A 17 -4.771 0.989 -5.281 1.00 0.90 H ATOM 262 HG LEU A 17 -3.532 2.858 -6.190 1.00 1.42 H ATOM 263 HD11 LEU A 17 -5.872 3.844 -4.571 1.00 2.42 H ATOM 264 HD12 LEU A 17 -5.978 3.010 -6.121 1.00 2.41 H ATOM 265 HD13 LEU A 17 -5.207 4.593 -6.021 1.00 2.41 H ATOM 266 HD21 LEU A 17 -3.039 4.845 -4.857 1.00 1.95 H ATOM 267 HD22 LEU A 17 -2.187 3.428 -4.243 1.00 2.00 H ATOM 268 HD23 LEU A 17 -3.624 4.022 -3.412 1.00 1.99 H ATOM 269 N GLN A 18 -4.923 -0.762 -2.698 1.00 0.30 N ATOM 270 CA GLN A 18 -5.486 -2.084 -2.438 1.00 0.40 C ATOM 271 C GLN A 18 -6.566 -2.027 -1.362 1.00 0.46 C ATOM 272 O GLN A 18 -7.561 -2.748 -1.428 1.00 0.56 O ATOM 273 CB GLN A 18 -4.378 -3.050 -2.013 1.00 0.48 C ATOM 274 CG GLN A 18 -3.803 -3.879 -3.152 1.00 0.66 C ATOM 275 CD GLN A 18 -3.571 -3.088 -4.427 1.00 1.28 C ATOM 276 OE1 GLN A 18 -4.446 -3.006 -5.291 1.00 2.28 O ATOM 277 NE2 GLN A 18 -2.397 -2.499 -4.551 1.00 1.17 N ATOM 278 H GLN A 18 -3.953 -0.632 -2.607 1.00 0.27 H ATOM 279 HA GLN A 18 -5.928 -2.440 -3.355 1.00 0.47 H ATOM 280 HB2 GLN A 18 -3.573 -2.480 -1.572 1.00 0.54 H ATOM 281 HB3 GLN A 18 -4.775 -3.725 -1.270 1.00 0.64 H ATOM 282 HG2 GLN A 18 -2.858 -4.287 -2.831 1.00 1.02 H ATOM 283 HG3 GLN A 18 -4.485 -4.688 -3.367 1.00 1.38 H ATOM 284 HE21 GLN A 18 -1.750 -2.600 -3.820 1.00 0.85 H ATOM 285 HE22 GLN A 18 -2.218 -1.984 -5.365 1.00 1.83 H ATOM 286 N HIS A 19 -6.375 -1.153 -0.383 1.00 0.46 N ATOM 287 CA HIS A 19 -7.325 -1.018 0.710 1.00 0.61 C ATOM 288 C HIS A 19 -8.583 -0.293 0.240 1.00 0.67 C ATOM 289 O HIS A 19 -9.672 -0.531 0.749 1.00 0.82 O ATOM 290 CB HIS A 19 -6.693 -0.254 1.875 1.00 0.71 C ATOM 291 CG HIS A 19 -7.316 -0.546 3.202 1.00 0.90 C ATOM 292 ND1 HIS A 19 -8.597 -0.174 3.543 1.00 1.24 N ATOM 293 CD2 HIS A 19 -6.816 -1.189 4.282 1.00 1.01 C ATOM 294 CE1 HIS A 19 -8.855 -0.572 4.772 1.00 1.42 C ATOM 295 NE2 HIS A 19 -7.792 -1.190 5.242 1.00 1.29 N ATOM 296 H HIS A 19 -5.570 -0.590 -0.390 1.00 0.42 H ATOM 297 HA HIS A 19 -7.596 -2.008 1.043 1.00 0.67 H ATOM 298 HB2 HIS A 19 -5.647 -0.513 1.938 1.00 0.75 H ATOM 299 HB3 HIS A 19 -6.785 0.805 1.691 1.00 0.79 H ATOM 300 HD1 HIS A 19 -9.233 0.304 2.964 1.00 1.42 H ATOM 301 HD2 HIS A 19 -5.830 -1.620 4.370 1.00 1.06 H ATOM 302 HE1 HIS A 19 -9.781 -0.418 5.302 1.00 1.72 H ATOM 303 HE2 HIS A 19 -7.656 -1.423 6.187 1.00 1.48 H ATOM 304 N LYS A 20 -8.432 0.579 -0.748 1.00 0.65 N ATOM 305 CA LYS A 20 -9.561 1.347 -1.259 1.00 0.81 C ATOM 306 C LYS A 20 -10.338 0.495 -2.246 1.00 0.82 C ATOM 307 O LYS A 20 -11.560 0.588 -2.359 1.00 0.98 O ATOM 308 CB LYS A 20 -9.080 2.631 -1.938 1.00 0.97 C ATOM 309 CG LYS A 20 -8.176 3.485 -1.061 1.00 0.98 C ATOM 310 CD LYS A 20 -7.770 4.792 -1.733 1.00 1.26 C ATOM 311 CE LYS A 20 -8.909 5.806 -1.789 1.00 1.81 C ATOM 312 NZ LYS A 20 -9.821 5.591 -2.946 1.00 2.38 N ATOM 313 H LYS A 20 -7.550 0.690 -1.165 1.00 0.60 H ATOM 314 HA LYS A 20 -10.198 1.600 -0.430 1.00 0.91 H ATOM 315 HB2 LYS A 20 -8.536 2.363 -2.826 1.00 1.52 H ATOM 316 HB3 LYS A 20 -9.938 3.219 -2.217 1.00 1.46 H ATOM 317 HG2 LYS A 20 -8.696 3.716 -0.145 1.00 1.41 H ATOM 318 HG3 LYS A 20 -7.280 2.920 -0.834 1.00 1.49 H ATOM 319 HD2 LYS A 20 -6.951 5.225 -1.180 1.00 1.62 H ATOM 320 HD3 LYS A 20 -7.447 4.576 -2.740 1.00 1.69 H ATOM 321 HE2 LYS A 20 -9.483 5.729 -0.879 1.00 2.31 H ATOM 322 HE3 LYS A 20 -8.485 6.797 -1.858 1.00 2.26 H ATOM 323 HZ1 LYS A 20 -10.301 4.720 -2.853 1.00 2.71 H ATOM 324 HZ2 LYS A 20 -9.300 5.581 -3.797 1.00 2.79 H ATOM 325 HZ3 LYS A 20 -10.495 6.330 -2.994 1.00 2.74 H ATOM 326 N LEU A 21 -9.602 -0.360 -2.930 1.00 0.74 N ATOM 327 CA LEU A 21 -10.159 -1.249 -3.931 1.00 0.86 C ATOM 328 C LEU A 21 -10.961 -2.370 -3.271 1.00 0.96 C ATOM 329 O LEU A 21 -11.810 -2.998 -3.901 1.00 1.14 O ATOM 330 CB LEU A 21 -9.016 -1.826 -4.768 1.00 0.84 C ATOM 331 CG LEU A 21 -9.425 -2.516 -6.073 1.00 1.10 C ATOM 332 CD1 LEU A 21 -10.195 -1.564 -6.977 1.00 1.65 C ATOM 333 CD2 LEU A 21 -8.199 -3.053 -6.794 1.00 1.80 C ATOM 334 H LEU A 21 -8.633 -0.383 -2.768 1.00 0.66 H ATOM 335 HA LEU A 21 -10.811 -0.674 -4.569 1.00 0.99 H ATOM 336 HB2 LEU A 21 -8.334 -1.020 -5.000 1.00 0.79 H ATOM 337 HB3 LEU A 21 -8.491 -2.548 -4.158 1.00 0.80 H ATOM 338 HG LEU A 21 -10.070 -3.350 -5.844 1.00 1.61 H ATOM 339 HD11 LEU A 21 -11.095 -1.238 -6.477 1.00 2.13 H ATOM 340 HD12 LEU A 21 -10.458 -2.072 -7.893 1.00 2.12 H ATOM 341 HD13 LEU A 21 -9.579 -0.708 -7.205 1.00 2.18 H ATOM 342 HD21 LEU A 21 -8.504 -3.540 -7.708 1.00 2.31 H ATOM 343 HD22 LEU A 21 -7.690 -3.762 -6.161 1.00 2.31 H ATOM 344 HD23 LEU A 21 -7.534 -2.236 -7.027 1.00 2.27 H ATOM 345 N THR A 22 -10.689 -2.612 -1.996 1.00 0.92 N ATOM 346 CA THR A 22 -11.392 -3.644 -1.250 1.00 1.10 C ATOM 347 C THR A 22 -12.518 -3.053 -0.398 1.00 1.19 C ATOM 348 O THR A 22 -13.341 -3.785 0.156 1.00 1.44 O ATOM 349 CB THR A 22 -10.418 -4.436 -0.358 1.00 1.19 C ATOM 350 OG1 THR A 22 -9.506 -3.537 0.288 1.00 1.81 O ATOM 351 CG2 THR A 22 -9.640 -5.455 -1.177 1.00 1.51 C ATOM 352 H THR A 22 -9.994 -2.089 -1.547 1.00 0.84 H ATOM 353 HA THR A 22 -11.824 -4.329 -1.964 1.00 1.23 H ATOM 354 HB THR A 22 -10.989 -4.960 0.395 1.00 1.62 H ATOM 355 HG1 THR A 22 -8.736 -3.401 -0.284 1.00 2.30 H ATOM 356 HG21 THR A 22 -8.962 -5.994 -0.530 1.00 1.97 H ATOM 357 HG22 THR A 22 -9.075 -4.946 -1.944 1.00 2.04 H ATOM 358 HG23 THR A 22 -10.327 -6.150 -1.637 1.00 1.95 H ATOM 359 N ASN A 23 -12.554 -1.730 -0.297 1.00 1.13 N ATOM 360 CA ASN A 23 -13.613 -1.054 0.443 1.00 1.33 C ATOM 361 C ASN A 23 -14.663 -0.508 -0.513 1.00 1.94 C ATOM 362 O ASN A 23 -14.613 0.698 -0.836 1.00 2.64 O ATOM 363 CB ASN A 23 -13.052 0.087 1.298 1.00 1.97 C ATOM 364 CG ASN A 23 -12.211 -0.387 2.468 1.00 2.54 C ATOM 365 OD1 ASN A 23 -11.298 0.314 2.905 1.00 3.05 O ATOM 366 ND2 ASN A 23 -12.505 -1.571 2.984 1.00 3.13 N ATOM 367 OXT ASN A 23 -15.525 -1.294 -0.956 1.00 2.58 O ATOM 368 H ASN A 23 -11.858 -1.196 -0.732 1.00 1.07 H ATOM 369 HA ASN A 23 -14.079 -1.781 1.089 1.00 1.77 H ATOM 370 HB2 ASN A 23 -12.436 0.718 0.675 1.00 2.48 H ATOM 371 HB3 ASN A 23 -13.874 0.670 1.685 1.00 2.44 H ATOM 372 HD21 ASN A 23 -13.243 -2.081 2.586 1.00 3.26 H ATOM 373 HD22 ASN A 23 -11.979 -1.889 3.748 1.00 3.71 H TER 374 ASN A 23 ENDMDL MODEL 15 ATOM 1 N VAL A 1 5.468 -7.033 1.110 1.00 1.27 N ATOM 2 CA VAL A 1 5.745 -6.129 -0.029 1.00 1.06 C ATOM 3 C VAL A 1 6.701 -5.012 0.363 1.00 0.70 C ATOM 4 O VAL A 1 6.479 -3.844 0.043 1.00 1.03 O ATOM 5 CB VAL A 1 4.458 -5.497 -0.587 1.00 1.23 C ATOM 6 CG1 VAL A 1 3.673 -6.504 -1.414 1.00 1.80 C ATOM 7 CG2 VAL A 1 3.588 -4.931 0.530 1.00 1.58 C ATOM 8 H1 VAL A 1 6.316 -7.458 1.421 1.00 1.67 H ATOM 9 H2 VAL A 1 4.834 -7.749 0.834 1.00 1.64 H ATOM 10 H3 VAL A 1 5.065 -6.522 1.868 1.00 1.65 H ATOM 11 HA VAL A 1 6.203 -6.710 -0.814 1.00 1.35 H ATOM 12 HB VAL A 1 4.755 -4.685 -1.225 1.00 1.79 H ATOM 13 HG11 VAL A 1 2.786 -6.032 -1.810 1.00 2.29 H ATOM 14 HG12 VAL A 1 3.386 -7.337 -0.790 1.00 2.21 H ATOM 15 HG13 VAL A 1 4.286 -6.859 -2.229 1.00 2.30 H ATOM 16 HG21 VAL A 1 4.143 -4.181 1.075 1.00 2.05 H ATOM 17 HG22 VAL A 1 3.303 -5.726 1.202 1.00 2.00 H ATOM 18 HG23 VAL A 1 2.700 -4.483 0.106 1.00 2.09 H ATOM 19 N LEU A 2 7.771 -5.367 1.047 1.00 0.51 N ATOM 20 CA LEU A 2 8.729 -4.378 1.502 1.00 0.77 C ATOM 21 C LEU A 2 10.146 -4.931 1.597 1.00 0.48 C ATOM 22 O LEU A 2 10.623 -5.316 2.664 1.00 0.60 O ATOM 23 CB LEU A 2 8.313 -3.767 2.829 1.00 1.37 C ATOM 24 CG LEU A 2 7.926 -4.739 3.952 1.00 2.23 C ATOM 25 CD1 LEU A 2 8.084 -4.063 5.302 1.00 3.06 C ATOM 26 CD2 LEU A 2 6.492 -5.219 3.789 1.00 2.69 C ATOM 27 H LEU A 2 7.926 -6.311 1.233 1.00 0.74 H ATOM 28 HA LEU A 2 8.735 -3.590 0.763 1.00 1.13 H ATOM 29 HB2 LEU A 2 9.135 -3.168 3.172 1.00 1.34 H ATOM 30 HB3 LEU A 2 7.479 -3.119 2.632 1.00 1.54 H ATOM 31 HG LEU A 2 8.580 -5.599 3.924 1.00 2.48 H ATOM 32 HD11 LEU A 2 9.118 -3.787 5.450 1.00 3.41 H ATOM 33 HD12 LEU A 2 7.778 -4.743 6.083 1.00 3.47 H ATOM 34 HD13 LEU A 2 7.467 -3.178 5.335 1.00 3.48 H ATOM 35 HD21 LEU A 2 6.350 -5.595 2.784 1.00 3.03 H ATOM 36 HD22 LEU A 2 5.814 -4.399 3.964 1.00 3.01 H ATOM 37 HD23 LEU A 2 6.294 -6.008 4.499 1.00 3.05 H ATOM 38 N PRO A 3 10.825 -4.957 0.457 1.00 0.32 N ATOM 39 CA PRO A 3 12.225 -5.352 0.357 1.00 0.25 C ATOM 40 C PRO A 3 13.187 -4.217 0.736 1.00 0.28 C ATOM 41 O PRO A 3 14.083 -4.408 1.559 1.00 0.49 O ATOM 42 CB PRO A 3 12.374 -5.723 -1.117 1.00 0.45 C ATOM 43 CG PRO A 3 11.328 -4.935 -1.836 1.00 0.63 C ATOM 44 CD PRO A 3 10.245 -4.606 -0.835 1.00 0.54 C ATOM 45 HA PRO A 3 12.433 -6.215 0.971 1.00 0.36 H ATOM 46 HB2 PRO A 3 13.364 -5.460 -1.455 1.00 0.67 H ATOM 47 HB3 PRO A 3 12.219 -6.784 -1.239 1.00 0.55 H ATOM 48 HG2 PRO A 3 11.760 -4.030 -2.227 1.00 0.89 H ATOM 49 HG3 PRO A 3 10.920 -5.528 -2.641 1.00 0.97 H ATOM 50 HD2 PRO A 3 10.000 -3.554 -0.850 1.00 0.65 H ATOM 51 HD3 PRO A 3 9.362 -5.197 -1.027 1.00 0.82 H ATOM 52 N ALA A 4 12.996 -3.039 0.135 1.00 0.18 N ATOM 53 CA ALA A 4 13.837 -1.876 0.424 1.00 0.22 C ATOM 54 C ALA A 4 13.168 -0.581 -0.042 1.00 0.19 C ATOM 55 O ALA A 4 12.576 0.145 0.756 1.00 0.21 O ATOM 56 CB ALA A 4 15.207 -2.031 -0.222 1.00 0.30 C ATOM 57 H ALA A 4 12.276 -2.953 -0.519 1.00 0.21 H ATOM 58 HA ALA A 4 13.975 -1.829 1.494 1.00 0.27 H ATOM 59 HB1 ALA A 4 15.097 -2.033 -1.294 1.00 1.08 H ATOM 60 HB2 ALA A 4 15.652 -2.962 0.097 1.00 1.06 H ATOM 61 HB3 ALA A 4 15.840 -1.208 0.076 1.00 1.07 H ATOM 62 N LEU A 5 13.240 -0.295 -1.337 1.00 0.23 N ATOM 63 CA LEU A 5 12.589 0.897 -1.875 1.00 0.27 C ATOM 64 C LEU A 5 11.063 0.777 -1.768 1.00 0.24 C ATOM 65 O LEU A 5 10.407 1.701 -1.285 1.00 0.26 O ATOM 66 CB LEU A 5 13.030 1.176 -3.320 1.00 0.41 C ATOM 67 CG LEU A 5 12.418 2.426 -3.959 1.00 1.24 C ATOM 68 CD1 LEU A 5 12.836 3.677 -3.203 1.00 1.89 C ATOM 69 CD2 LEU A 5 12.821 2.527 -5.420 1.00 2.00 C ATOM 70 H LEU A 5 13.743 -0.886 -1.938 1.00 0.28 H ATOM 71 HA LEU A 5 12.899 1.728 -1.258 1.00 0.29 H ATOM 72 HB2 LEU A 5 14.104 1.286 -3.329 1.00 0.90 H ATOM 73 HB3 LEU A 5 12.772 0.327 -3.928 1.00 0.93 H ATOM 74 HG LEU A 5 11.341 2.353 -3.913 1.00 1.99 H ATOM 75 HD11 LEU A 5 12.396 4.545 -3.671 1.00 2.35 H ATOM 76 HD12 LEU A 5 13.912 3.766 -3.222 1.00 2.40 H ATOM 77 HD13 LEU A 5 12.498 3.611 -2.179 1.00 2.34 H ATOM 78 HD21 LEU A 5 12.374 3.407 -5.857 1.00 2.46 H ATOM 79 HD22 LEU A 5 12.482 1.649 -5.950 1.00 2.45 H ATOM 80 HD23 LEU A 5 13.896 2.597 -5.492 1.00 2.53 H ATOM 81 N PRO A 6 10.460 -0.367 -2.185 1.00 0.27 N ATOM 82 CA PRO A 6 9.028 -0.611 -1.982 1.00 0.31 C ATOM 83 C PRO A 6 8.666 -0.732 -0.502 1.00 0.27 C ATOM 84 O PRO A 6 7.496 -0.805 -0.150 1.00 0.36 O ATOM 85 CB PRO A 6 8.752 -1.932 -2.707 1.00 0.39 C ATOM 86 CG PRO A 6 9.934 -2.159 -3.584 1.00 0.40 C ATOM 87 CD PRO A 6 11.092 -1.483 -2.909 1.00 0.32 C ATOM 88 HA PRO A 6 8.432 0.174 -2.427 1.00 0.37 H ATOM 89 HB2 PRO A 6 8.643 -2.723 -1.981 1.00 0.39 H ATOM 90 HB3 PRO A 6 7.846 -1.843 -3.286 1.00 0.49 H ATOM 91 HG2 PRO A 6 10.122 -3.219 -3.679 1.00 0.42 H ATOM 92 HG3 PRO A 6 9.758 -1.721 -4.554 1.00 0.48 H ATOM 93 HD2 PRO A 6 11.582 -2.157 -2.222 1.00 0.30 H ATOM 94 HD3 PRO A 6 11.790 -1.122 -3.643 1.00 0.40 H ATOM 95 N LEU A 7 9.668 -0.769 0.366 1.00 0.19 N ATOM 96 CA LEU A 7 9.411 -0.776 1.796 1.00 0.23 C ATOM 97 C LEU A 7 8.778 0.549 2.190 1.00 0.24 C ATOM 98 O LEU A 7 7.783 0.582 2.905 1.00 0.35 O ATOM 99 CB LEU A 7 10.704 -1.041 2.584 1.00 0.27 C ATOM 100 CG LEU A 7 10.567 -1.147 4.110 1.00 0.45 C ATOM 101 CD1 LEU A 7 11.697 -1.990 4.676 1.00 0.69 C ATOM 102 CD2 LEU A 7 10.583 0.231 4.758 1.00 0.68 C ATOM 103 H LEU A 7 10.592 -0.774 0.040 1.00 0.15 H ATOM 104 HA LEU A 7 8.705 -1.567 1.997 1.00 0.31 H ATOM 105 HB2 LEU A 7 11.130 -1.966 2.224 1.00 0.25 H ATOM 106 HB3 LEU A 7 11.396 -0.242 2.364 1.00 0.27 H ATOM 107 HG LEU A 7 9.632 -1.626 4.355 1.00 0.66 H ATOM 108 HD11 LEU A 7 11.595 -2.057 5.749 1.00 1.29 H ATOM 109 HD12 LEU A 7 12.645 -1.534 4.432 1.00 1.26 H ATOM 110 HD13 LEU A 7 11.655 -2.981 4.249 1.00 1.30 H ATOM 111 HD21 LEU A 7 11.508 0.733 4.517 1.00 1.29 H ATOM 112 HD22 LEU A 7 10.501 0.125 5.830 1.00 1.26 H ATOM 113 HD23 LEU A 7 9.751 0.812 4.389 1.00 1.28 H ATOM 114 N LEU A 8 9.343 1.640 1.701 1.00 0.18 N ATOM 115 CA LEU A 8 8.775 2.953 1.967 1.00 0.20 C ATOM 116 C LEU A 8 7.787 3.340 0.874 1.00 0.18 C ATOM 117 O LEU A 8 6.601 3.544 1.141 1.00 0.16 O ATOM 118 CB LEU A 8 9.874 4.007 2.091 1.00 0.33 C ATOM 119 CG LEU A 8 9.369 5.434 2.314 1.00 0.36 C ATOM 120 CD1 LEU A 8 8.501 5.510 3.559 1.00 0.61 C ATOM 121 CD2 LEU A 8 10.531 6.406 2.410 1.00 0.66 C ATOM 122 H LEU A 8 10.152 1.561 1.141 1.00 0.19 H ATOM 123 HA LEU A 8 8.237 2.897 2.902 1.00 0.21 H ATOM 124 HB2 LEU A 8 10.512 3.738 2.920 1.00 0.39 H ATOM 125 HB3 LEU A 8 10.461 3.994 1.185 1.00 0.37 H ATOM 126 HG LEU A 8 8.759 5.721 1.472 1.00 0.53 H ATOM 127 HD11 LEU A 8 9.021 5.057 4.391 1.00 1.23 H ATOM 128 HD12 LEU A 8 7.571 4.985 3.381 1.00 1.28 H ATOM 129 HD13 LEU A 8 8.291 6.545 3.785 1.00 1.21 H ATOM 130 HD21 LEU A 8 11.177 6.116 3.226 1.00 1.30 H ATOM 131 HD22 LEU A 8 10.153 7.402 2.587 1.00 1.24 H ATOM 132 HD23 LEU A 8 11.089 6.392 1.487 1.00 1.28 H ATOM 133 N ALA A 9 8.283 3.414 -0.355 1.00 0.28 N ATOM 134 CA ALA A 9 7.474 3.815 -1.500 1.00 0.38 C ATOM 135 C ALA A 9 6.292 2.874 -1.695 1.00 0.38 C ATOM 136 O ALA A 9 5.182 3.303 -2.011 1.00 0.44 O ATOM 137 CB ALA A 9 8.336 3.840 -2.750 1.00 0.51 C ATOM 138 H ALA A 9 9.229 3.190 -0.501 1.00 0.32 H ATOM 139 HA ALA A 9 7.106 4.815 -1.321 1.00 0.40 H ATOM 140 HB1 ALA A 9 9.144 4.545 -2.616 1.00 1.20 H ATOM 141 HB2 ALA A 9 7.737 4.134 -3.598 1.00 1.12 H ATOM 142 HB3 ALA A 9 8.745 2.854 -2.920 1.00 1.13 H ATOM 143 N GLY A 10 6.536 1.594 -1.480 1.00 0.35 N ATOM 144 CA GLY A 10 5.498 0.603 -1.653 1.00 0.45 C ATOM 145 C GLY A 10 4.472 0.652 -0.543 1.00 0.41 C ATOM 146 O GLY A 10 3.273 0.614 -0.802 1.00 0.52 O ATOM 147 H GLY A 10 7.430 1.318 -1.196 1.00 0.31 H ATOM 148 HA2 GLY A 10 5.004 0.778 -2.596 1.00 0.55 H ATOM 149 HA3 GLY A 10 5.949 -0.378 -1.668 1.00 0.48 H ATOM 150 N LEU A 11 4.936 0.777 0.697 1.00 0.29 N ATOM 151 CA LEU A 11 4.039 0.842 1.851 1.00 0.31 C ATOM 152 C LEU A 11 3.168 2.088 1.815 1.00 0.23 C ATOM 153 O LEU A 11 2.319 2.295 2.682 1.00 0.22 O ATOM 154 CB LEU A 11 4.842 0.798 3.144 1.00 0.35 C ATOM 155 CG LEU A 11 4.879 -0.568 3.832 1.00 0.53 C ATOM 156 CD1 LEU A 11 3.506 -0.935 4.374 1.00 0.65 C ATOM 157 CD2 LEU A 11 5.369 -1.629 2.862 1.00 0.57 C ATOM 158 H LEU A 11 5.908 0.821 0.846 1.00 0.23 H ATOM 159 HA LEU A 11 3.399 -0.026 1.812 1.00 0.43 H ATOM 160 HB2 LEU A 11 5.856 1.092 2.916 1.00 0.28 H ATOM 161 HB3 LEU A 11 4.428 1.518 3.830 1.00 0.37 H ATOM 162 HG LEU A 11 5.567 -0.528 4.663 1.00 0.59 H ATOM 163 HD11 LEU A 11 2.797 -0.976 3.560 1.00 1.25 H ATOM 164 HD12 LEU A 11 3.191 -0.191 5.089 1.00 1.20 H ATOM 165 HD13 LEU A 11 3.557 -1.900 4.857 1.00 1.22 H ATOM 166 HD21 LEU A 11 4.695 -1.683 2.020 1.00 1.16 H ATOM 167 HD22 LEU A 11 5.402 -2.585 3.360 1.00 1.17 H ATOM 168 HD23 LEU A 11 6.357 -1.368 2.515 1.00 1.19 H ATOM 169 N MET A 12 3.393 2.917 0.817 1.00 0.21 N ATOM 170 CA MET A 12 2.555 4.074 0.585 1.00 0.18 C ATOM 171 C MET A 12 1.367 3.711 -0.303 1.00 0.17 C ATOM 172 O MET A 12 0.219 3.721 0.142 1.00 0.17 O ATOM 173 CB MET A 12 3.378 5.165 -0.090 1.00 0.21 C ATOM 174 CG MET A 12 4.474 5.744 0.792 1.00 0.24 C ATOM 175 SD MET A 12 3.823 6.587 2.249 1.00 1.46 S ATOM 176 CE MET A 12 2.931 7.941 1.487 1.00 2.10 C ATOM 177 H MET A 12 4.154 2.745 0.221 1.00 0.22 H ATOM 178 HA MET A 12 2.196 4.433 1.538 1.00 0.19 H ATOM 179 HB2 MET A 12 3.841 4.740 -0.974 1.00 0.23 H ATOM 180 HB3 MET A 12 2.719 5.967 -0.388 1.00 0.22 H ATOM 181 HG2 MET A 12 5.120 4.940 1.120 1.00 0.82 H ATOM 182 HG3 MET A 12 5.049 6.450 0.212 1.00 0.85 H ATOM 183 HE1 MET A 12 3.613 8.537 0.899 1.00 2.56 H ATOM 184 HE2 MET A 12 2.487 8.555 2.255 1.00 2.58 H ATOM 185 HE3 MET A 12 2.154 7.548 0.849 1.00 2.52 H ATOM 186 N SER A 13 1.660 3.310 -1.534 1.00 0.19 N ATOM 187 CA SER A 13 0.627 3.106 -2.542 1.00 0.22 C ATOM 188 C SER A 13 0.007 1.713 -2.474 1.00 0.19 C ATOM 189 O SER A 13 -1.181 1.544 -2.753 1.00 0.22 O ATOM 190 CB SER A 13 1.211 3.356 -3.935 1.00 0.32 C ATOM 191 OG SER A 13 2.462 2.701 -4.088 1.00 1.27 O ATOM 192 H SER A 13 2.599 3.155 -1.776 1.00 0.22 H ATOM 193 HA SER A 13 -0.150 3.834 -2.362 1.00 0.24 H ATOM 194 HB2 SER A 13 0.529 2.979 -4.682 1.00 1.07 H ATOM 195 HB3 SER A 13 1.353 4.417 -4.079 1.00 1.01 H ATOM 196 HG SER A 13 3.159 3.362 -4.189 1.00 1.76 H ATOM 197 N LEU A 14 0.803 0.724 -2.086 1.00 0.21 N ATOM 198 CA LEU A 14 0.362 -0.667 -2.092 1.00 0.24 C ATOM 199 C LEU A 14 -0.843 -0.903 -1.184 1.00 0.21 C ATOM 200 O LEU A 14 -1.850 -1.432 -1.648 1.00 0.27 O ATOM 201 CB LEU A 14 1.507 -1.611 -1.710 1.00 0.30 C ATOM 202 CG LEU A 14 2.459 -2.003 -2.848 1.00 0.37 C ATOM 203 CD1 LEU A 14 1.764 -2.939 -3.824 1.00 0.95 C ATOM 204 CD2 LEU A 14 2.964 -0.767 -3.576 1.00 0.83 C ATOM 205 H LEU A 14 1.714 0.930 -1.781 1.00 0.24 H ATOM 206 HA LEU A 14 0.059 -0.895 -3.105 1.00 0.27 H ATOM 207 HB2 LEU A 14 2.091 -1.135 -0.937 1.00 0.29 H ATOM 208 HB3 LEU A 14 1.080 -2.513 -1.306 1.00 0.34 H ATOM 209 HG LEU A 14 3.311 -2.522 -2.435 1.00 0.79 H ATOM 210 HD11 LEU A 14 0.908 -2.443 -4.255 1.00 1.52 H ATOM 211 HD12 LEU A 14 1.441 -3.827 -3.302 1.00 1.53 H ATOM 212 HD13 LEU A 14 2.453 -3.215 -4.610 1.00 1.53 H ATOM 213 HD21 LEU A 14 2.170 -0.359 -4.182 1.00 1.40 H ATOM 214 HD22 LEU A 14 3.800 -1.033 -4.202 1.00 1.45 H ATOM 215 HD23 LEU A 14 3.276 -0.025 -2.851 1.00 1.47 H ATOM 216 N PRO A 15 -0.800 -0.507 0.106 1.00 0.20 N ATOM 217 CA PRO A 15 -1.922 -0.751 0.993 1.00 0.23 C ATOM 218 C PRO A 15 -3.009 0.282 0.769 1.00 0.20 C ATOM 219 O PRO A 15 -4.183 0.021 1.002 1.00 0.30 O ATOM 220 CB PRO A 15 -1.315 -0.625 2.386 1.00 0.32 C ATOM 221 CG PRO A 15 -0.179 0.329 2.227 1.00 0.31 C ATOM 222 CD PRO A 15 0.278 0.244 0.788 1.00 0.24 C ATOM 223 HA PRO A 15 -2.327 -1.744 0.855 1.00 0.26 H ATOM 224 HB2 PRO A 15 -2.063 -0.244 3.071 1.00 0.36 H ATOM 225 HB3 PRO A 15 -0.974 -1.592 2.723 1.00 0.39 H ATOM 226 HG2 PRO A 15 -0.515 1.332 2.448 1.00 0.34 H ATOM 227 HG3 PRO A 15 0.626 0.050 2.890 1.00 0.40 H ATOM 228 HD2 PRO A 15 0.365 1.240 0.370 1.00 0.25 H ATOM 229 HD3 PRO A 15 1.218 -0.281 0.720 1.00 0.32 H ATOM 230 N PHE A 16 -2.593 1.447 0.282 1.00 0.16 N ATOM 231 CA PHE A 16 -3.498 2.543 -0.004 1.00 0.22 C ATOM 232 C PHE A 16 -4.517 2.143 -1.064 1.00 0.22 C ATOM 233 O PHE A 16 -5.721 2.125 -0.815 1.00 0.32 O ATOM 234 CB PHE A 16 -2.688 3.741 -0.495 1.00 0.29 C ATOM 235 CG PHE A 16 -3.429 5.036 -0.451 1.00 0.43 C ATOM 236 CD1 PHE A 16 -3.978 5.581 -1.598 1.00 0.57 C ATOM 237 CD2 PHE A 16 -3.570 5.707 0.746 1.00 0.76 C ATOM 238 CE1 PHE A 16 -4.658 6.781 -1.549 1.00 0.80 C ATOM 239 CE2 PHE A 16 -4.249 6.907 0.806 1.00 1.01 C ATOM 240 CZ PHE A 16 -4.796 7.446 -0.344 1.00 0.98 C ATOM 241 H PHE A 16 -1.632 1.577 0.119 1.00 0.17 H ATOM 242 HA PHE A 16 -4.013 2.809 0.906 1.00 0.30 H ATOM 243 HB2 PHE A 16 -1.807 3.846 0.119 1.00 0.45 H ATOM 244 HB3 PHE A 16 -2.388 3.566 -1.517 1.00 0.40 H ATOM 245 HD1 PHE A 16 -3.868 5.058 -2.538 1.00 0.71 H ATOM 246 HD2 PHE A 16 -3.138 5.280 1.642 1.00 0.91 H ATOM 247 HE1 PHE A 16 -5.083 7.197 -2.449 1.00 0.97 H ATOM 248 HE2 PHE A 16 -4.353 7.423 1.749 1.00 1.32 H ATOM 249 HZ PHE A 16 -5.328 8.385 -0.303 1.00 1.21 H ATOM 250 N LEU A 17 -4.015 1.800 -2.238 1.00 0.22 N ATOM 251 CA LEU A 17 -4.848 1.520 -3.389 1.00 0.33 C ATOM 252 C LEU A 17 -5.581 0.192 -3.263 1.00 0.33 C ATOM 253 O LEU A 17 -6.740 0.082 -3.664 1.00 0.44 O ATOM 254 CB LEU A 17 -3.992 1.547 -4.648 1.00 0.45 C ATOM 255 CG LEU A 17 -3.523 2.944 -5.054 1.00 1.03 C ATOM 256 CD1 LEU A 17 -2.590 2.874 -6.250 1.00 1.93 C ATOM 257 CD2 LEU A 17 -4.721 3.830 -5.360 1.00 1.50 C ATOM 258 H LEU A 17 -3.042 1.743 -2.339 1.00 0.22 H ATOM 259 HA LEU A 17 -5.583 2.306 -3.456 1.00 0.43 H ATOM 260 HB2 LEU A 17 -3.120 0.926 -4.481 1.00 0.63 H ATOM 261 HB3 LEU A 17 -4.563 1.130 -5.458 1.00 0.90 H ATOM 262 HG LEU A 17 -2.980 3.387 -4.232 1.00 1.42 H ATOM 263 HD11 LEU A 17 -1.739 2.256 -6.007 1.00 2.42 H ATOM 264 HD12 LEU A 17 -2.253 3.870 -6.497 1.00 2.41 H ATOM 265 HD13 LEU A 17 -3.115 2.451 -7.093 1.00 2.41 H ATOM 266 HD21 LEU A 17 -5.313 3.377 -6.142 1.00 1.95 H ATOM 267 HD22 LEU A 17 -4.378 4.801 -5.686 1.00 2.00 H ATOM 268 HD23 LEU A 17 -5.326 3.939 -4.473 1.00 1.99 H ATOM 269 N GLN A 18 -4.923 -0.813 -2.703 1.00 0.30 N ATOM 270 CA GLN A 18 -5.563 -2.109 -2.517 1.00 0.40 C ATOM 271 C GLN A 18 -6.639 -2.025 -1.438 1.00 0.46 C ATOM 272 O GLN A 18 -7.537 -2.864 -1.374 1.00 0.56 O ATOM 273 CB GLN A 18 -4.531 -3.185 -2.179 1.00 0.48 C ATOM 274 CG GLN A 18 -3.601 -3.501 -3.341 1.00 0.66 C ATOM 275 CD GLN A 18 -2.554 -4.544 -3.000 1.00 1.28 C ATOM 276 OE1 GLN A 18 -2.769 -5.743 -3.177 1.00 2.28 O ATOM 277 NE2 GLN A 18 -1.414 -4.091 -2.506 1.00 1.17 N ATOM 278 H GLN A 18 -3.993 -0.683 -2.412 1.00 0.27 H ATOM 279 HA GLN A 18 -6.040 -2.368 -3.452 1.00 0.47 H ATOM 280 HB2 GLN A 18 -3.933 -2.847 -1.346 1.00 0.54 H ATOM 281 HB3 GLN A 18 -5.047 -4.091 -1.901 1.00 0.64 H ATOM 282 HG2 GLN A 18 -4.191 -3.868 -4.165 1.00 1.02 H ATOM 283 HG3 GLN A 18 -3.098 -2.592 -3.638 1.00 1.38 H ATOM 284 HE21 GLN A 18 -1.317 -3.119 -2.385 1.00 0.85 H ATOM 285 HE22 GLN A 18 -0.709 -4.739 -2.289 1.00 1.83 H ATOM 286 N HIS A 19 -6.557 -0.993 -0.606 1.00 0.46 N ATOM 287 CA HIS A 19 -7.580 -0.744 0.399 1.00 0.61 C ATOM 288 C HIS A 19 -8.778 -0.061 -0.247 1.00 0.67 C ATOM 289 O HIS A 19 -9.911 -0.250 0.178 1.00 0.82 O ATOM 290 CB HIS A 19 -7.037 0.137 1.525 1.00 0.71 C ATOM 291 CG HIS A 19 -7.840 0.076 2.788 1.00 0.90 C ATOM 292 ND1 HIS A 19 -9.161 0.466 2.869 1.00 1.24 N ATOM 293 CD2 HIS A 19 -7.499 -0.348 4.026 1.00 1.01 C ATOM 294 CE1 HIS A 19 -9.596 0.284 4.101 1.00 1.42 C ATOM 295 NE2 HIS A 19 -8.607 -0.209 4.820 1.00 1.29 N ATOM 296 H HIS A 19 -5.786 -0.389 -0.664 1.00 0.42 H ATOM 297 HA HIS A 19 -7.892 -1.694 0.805 1.00 0.67 H ATOM 298 HB2 HIS A 19 -6.031 -0.171 1.759 1.00 0.75 H ATOM 299 HB3 HIS A 19 -7.022 1.164 1.190 1.00 0.79 H ATOM 300 HD1 HIS A 19 -9.703 0.829 2.131 1.00 1.42 H ATOM 301 HD2 HIS A 19 -6.528 -0.718 4.332 1.00 1.06 H ATOM 302 HE1 HIS A 19 -10.592 0.497 4.458 1.00 1.72 H ATOM 303 HE2 HIS A 19 -8.652 -0.411 5.780 1.00 1.48 H ATOM 304 N LYS A 20 -8.519 0.721 -1.291 1.00 0.65 N ATOM 305 CA LYS A 20 -9.576 1.462 -1.966 1.00 0.81 C ATOM 306 C LYS A 20 -10.276 0.546 -2.946 1.00 0.82 C ATOM 307 O LYS A 20 -11.462 0.694 -3.237 1.00 0.98 O ATOM 308 CB LYS A 20 -9.011 2.676 -2.703 1.00 0.97 C ATOM 309 CG LYS A 20 -8.209 3.613 -1.815 1.00 0.98 C ATOM 310 CD LYS A 20 -7.845 4.908 -2.530 1.00 1.26 C ATOM 311 CE LYS A 20 -9.074 5.745 -2.861 1.00 1.81 C ATOM 312 NZ LYS A 20 -9.823 6.158 -1.642 1.00 2.38 N ATOM 313 H LYS A 20 -7.602 0.780 -1.631 1.00 0.60 H ATOM 314 HA LYS A 20 -10.281 1.792 -1.226 1.00 0.91 H ATOM 315 HB2 LYS A 20 -8.370 2.327 -3.493 1.00 1.52 H ATOM 316 HB3 LYS A 20 -9.830 3.232 -3.133 1.00 1.46 H ATOM 317 HG2 LYS A 20 -8.793 3.851 -0.941 1.00 1.41 H ATOM 318 HG3 LYS A 20 -7.296 3.112 -1.516 1.00 1.49 H ATOM 319 HD2 LYS A 20 -7.194 5.485 -1.891 1.00 1.62 H ATOM 320 HD3 LYS A 20 -7.327 4.666 -3.447 1.00 1.69 H ATOM 321 HE2 LYS A 20 -8.756 6.631 -3.390 1.00 2.31 H ATOM 322 HE3 LYS A 20 -9.727 5.166 -3.496 1.00 2.26 H ATOM 323 HZ1 LYS A 20 -10.608 6.724 -1.897 1.00 2.71 H ATOM 324 HZ2 LYS A 20 -9.232 6.687 -1.034 1.00 2.79 H ATOM 325 HZ3 LYS A 20 -10.153 5.353 -1.148 1.00 2.74 H ATOM 326 N LEU A 21 -9.508 -0.398 -3.454 1.00 0.74 N ATOM 327 CA LEU A 21 -10.020 -1.426 -4.339 1.00 0.86 C ATOM 328 C LEU A 21 -11.018 -2.321 -3.605 1.00 0.96 C ATOM 329 O LEU A 21 -11.976 -2.816 -4.194 1.00 1.14 O ATOM 330 CB LEU A 21 -8.853 -2.265 -4.857 1.00 0.84 C ATOM 331 CG LEU A 21 -9.180 -3.200 -6.025 1.00 1.10 C ATOM 332 CD1 LEU A 21 -9.573 -2.403 -7.260 1.00 1.65 C ATOM 333 CD2 LEU A 21 -7.997 -4.105 -6.329 1.00 1.80 C ATOM 334 H LEU A 21 -8.546 -0.386 -3.249 1.00 0.66 H ATOM 335 HA LEU A 21 -10.514 -0.945 -5.169 1.00 0.99 H ATOM 336 HB2 LEU A 21 -8.065 -1.590 -5.161 1.00 0.79 H ATOM 337 HB3 LEU A 21 -8.487 -2.867 -4.039 1.00 0.80 H ATOM 338 HG LEU A 21 -10.018 -3.825 -5.752 1.00 1.61 H ATOM 339 HD11 LEU A 21 -9.774 -3.082 -8.077 1.00 2.13 H ATOM 340 HD12 LEU A 21 -8.764 -1.740 -7.534 1.00 2.12 H ATOM 341 HD13 LEU A 21 -10.458 -1.823 -7.048 1.00 2.18 H ATOM 342 HD21 LEU A 21 -7.140 -3.503 -6.597 1.00 2.31 H ATOM 343 HD22 LEU A 21 -8.245 -4.762 -7.149 1.00 2.31 H ATOM 344 HD23 LEU A 21 -7.762 -4.695 -5.455 1.00 2.27 H ATOM 345 N THR A 22 -10.791 -2.514 -2.312 1.00 0.92 N ATOM 346 CA THR A 22 -11.609 -3.420 -1.519 1.00 1.10 C ATOM 347 C THR A 22 -12.633 -2.673 -0.666 1.00 1.19 C ATOM 348 O THR A 22 -13.599 -3.266 -0.183 1.00 1.44 O ATOM 349 CB THR A 22 -10.721 -4.288 -0.612 1.00 1.19 C ATOM 350 OG1 THR A 22 -9.763 -3.460 0.061 1.00 1.81 O ATOM 351 CG2 THR A 22 -9.998 -5.351 -1.423 1.00 1.51 C ATOM 352 H THR A 22 -10.057 -2.033 -1.877 1.00 0.84 H ATOM 353 HA THR A 22 -12.134 -4.074 -2.199 1.00 1.23 H ATOM 354 HB THR A 22 -11.347 -4.776 0.123 1.00 1.62 H ATOM 355 HG1 THR A 22 -8.901 -3.551 -0.371 1.00 2.30 H ATOM 356 HG21 THR A 22 -9.366 -5.935 -0.770 1.00 1.97 H ATOM 357 HG22 THR A 22 -9.391 -4.877 -2.180 1.00 2.04 H ATOM 358 HG23 THR A 22 -10.723 -5.997 -1.894 1.00 1.95 H ATOM 359 N ASN A 23 -12.425 -1.376 -0.486 1.00 1.13 N ATOM 360 CA ASN A 23 -13.299 -0.575 0.360 1.00 1.33 C ATOM 361 C ASN A 23 -13.482 0.820 -0.222 1.00 1.94 C ATOM 362 O ASN A 23 -14.560 1.091 -0.794 1.00 2.64 O ATOM 363 CB ASN A 23 -12.725 -0.483 1.777 1.00 1.97 C ATOM 364 CG ASN A 23 -13.629 0.281 2.723 1.00 2.54 C ATOM 365 OD1 ASN A 23 -13.509 1.499 2.875 1.00 3.05 O ATOM 366 ND2 ASN A 23 -14.535 -0.430 3.374 1.00 3.13 N ATOM 367 OXT ASN A 23 -12.543 1.636 -0.123 1.00 2.58 O ATOM 368 H ASN A 23 -11.667 -0.941 -0.931 1.00 1.07 H ATOM 369 HA ASN A 23 -14.259 -1.064 0.401 1.00 1.77 H ATOM 370 HB2 ASN A 23 -12.588 -1.480 2.168 1.00 2.48 H ATOM 371 HB3 ASN A 23 -11.769 0.018 1.739 1.00 2.44 H ATOM 372 HD21 ASN A 23 -14.570 -1.399 3.212 1.00 3.26 H ATOM 373 HD22 ASN A 23 -15.136 0.038 3.992 1.00 3.71 H TER 374 ASN A 23 ENDMDL MASTER 83 0 0 0 0 0 0 6 175 1 0 2 END