HEADER 18-DEC-21 SMS21098 TITLE SOLUTION STRUCTURE OF THE SECAPIN-LIKE PEPTIDE U17-MYRTX-TB1A FROM ANT TITLE 2 VENOM. COMPND MOL_ID: 1; COMPND 2 MOLECULE: U17-MYRTX-TB1A; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: FRAGMENT OF SECAPIN (57 AA) SOURCE MOL_ID: 1 KEYWDS BETA-HAIRPIN EXPDTA NMR NUMMDL 15 AUTHOR F.PAQUET,M.TREILHOU,V.BARASSE JRNL AUTH V.BARASSE,M.TREILHOU,F.PAQUET 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 SMS21098. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 5.2 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 HIS A 13 N VAL A 14 1.31 REMARK 500 C CYS A 20 N ARG A 21 1.31 REMARK 500 C VAL A 15 N VAL A 16 1.32 REMARK 500 C PRO A 11 N GLY A 12 1.32 REMARK 500 C ASN A 4 N ALA A 5 1.32 REMARK 500 C ARG A 19 N CYS A 20 1.32 REMARK 500 C ILE A 2 N ILE A 3 1.32 REMARK 500 C ILE A 3 N ASN A 4 1.32 REMARK 500 C THR A 1 N ILE A 2 1.32 REMARK 500 C PRO A 6 N ASN A 7 1.32 REMARK 500 C VAL A 14 N VAL A 15 1.32 REMARK 500 C GLY A 18 N ARG A 19 1.32 REMARK 500 C ASN A 7 N ARG A 8 1.32 REMARK 500 C ARG A 8 N CYS A 9 1.33 REMARK 500 C ARG A 21 N ILE A 22 1.33 REMARK 500 C ILE A 22 N ALA A 23 1.33 REMARK 500 C GLY A 12 N HIS A 13 1.33 REMARK 500 C LYS A 17 N GLY A 18 1.33 REMARK 500 C VAL A 16 N LYS A 17 1.33 REMARK 500 C ALA A 5 N PRO A 6 1.34 REMARK 500 C CYS A 9 N PRO A 10 1.34 REMARK 500 C PRO A 10 N PRO A 11 1.35 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 THR ILE ILE ASN ALA PRO ASN ARG CYS PRO PRO GLY HIS SEQRES 2 A 23 VAL VAL VAL LYS GLY ARG CYS ARG ILE ALA SSBOND 1 CYS A 9 CYS A 20 1555 1555 2.02 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 THR A 1 14.871 -3.669 6.236 1.00 4.74 N ATOM 2 CA THR A 1 14.158 -2.383 6.089 1.00 4.28 C ATOM 3 C THR A 1 12.753 -2.608 5.549 1.00 3.85 C ATOM 4 O THR A 1 12.474 -3.633 4.924 1.00 4.08 O ATOM 5 CB THR A 1 14.918 -1.436 5.140 1.00 4.65 C ATOM 6 OG1 THR A 1 15.267 -2.127 3.933 1.00 5.17 O ATOM 7 CG2 THR A 1 16.173 -0.894 5.803 1.00 4.88 C ATOM 8 H1 THR A 1 14.351 -4.281 6.829 1.00 4.93 H ATOM 9 H2 THR A 1 15.770 -3.519 6.640 1.00 4.98 H ATOM 10 H3 THR A 1 14.985 -4.099 5.341 1.00 5.05 H ATOM 11 HA THR A 1 14.091 -1.914 7.059 1.00 4.46 H ATOM 12 HB THR A 1 14.273 -0.606 4.894 1.00 4.91 H ATOM 13 HG1 THR A 1 15.591 -1.490 3.280 1.00 5.46 H ATOM 14 HG21 THR A 1 16.824 -1.714 6.069 1.00 5.08 H ATOM 15 HG22 THR A 1 15.901 -0.348 6.694 1.00 5.10 H ATOM 16 HG23 THR A 1 16.687 -0.235 5.120 1.00 5.13 H ATOM 17 N ILE A 2 11.868 -1.658 5.805 1.00 3.53 N ATOM 18 CA ILE A 2 10.507 -1.735 5.310 1.00 3.22 C ATOM 19 C ILE A 2 10.306 -0.703 4.210 1.00 2.69 C ATOM 20 O ILE A 2 10.406 0.501 4.452 1.00 2.69 O ATOM 21 CB ILE A 2 9.452 -1.507 6.421 1.00 3.57 C ATOM 22 CG1 ILE A 2 9.646 -2.474 7.598 1.00 3.97 C ATOM 23 CG2 ILE A 2 8.055 -1.664 5.848 1.00 3.95 C ATOM 24 CD1 ILE A 2 10.708 -2.042 8.587 1.00 4.45 C ATOM 25 H ILE A 2 12.140 -0.877 6.336 1.00 3.73 H ATOM 26 HA ILE A 2 10.359 -2.720 4.895 1.00 3.33 H ATOM 27 HB ILE A 2 9.553 -0.493 6.777 1.00 3.84 H ATOM 28 HG12 ILE A 2 8.714 -2.563 8.136 1.00 4.24 H ATOM 29 HG13 ILE A 2 9.926 -3.444 7.213 1.00 4.21 H ATOM 30 HG21 ILE A 2 7.328 -1.537 6.635 1.00 4.15 H ATOM 31 HG22 ILE A 2 7.950 -2.648 5.415 1.00 4.32 H ATOM 32 HG23 ILE A 2 7.893 -0.916 5.085 1.00 4.23 H ATOM 33 HD11 ILE A 2 11.658 -1.953 8.081 1.00 4.75 H ATOM 34 HD12 ILE A 2 10.787 -2.775 9.374 1.00 4.72 H ATOM 35 HD13 ILE A 2 10.436 -1.086 9.011 1.00 4.70 H ATOM 36 N ILE A 3 10.032 -1.176 3.006 1.00 2.42 N ATOM 37 CA ILE A 3 9.881 -0.295 1.859 1.00 1.99 C ATOM 38 C ILE A 3 8.427 0.138 1.716 1.00 1.72 C ATOM 39 O ILE A 3 7.515 -0.689 1.735 1.00 1.80 O ATOM 40 CB ILE A 3 10.356 -0.966 0.539 1.00 2.08 C ATOM 41 CG1 ILE A 3 11.872 -1.231 0.557 1.00 2.47 C ATOM 42 CG2 ILE A 3 9.995 -0.104 -0.666 1.00 1.90 C ATOM 43 CD1 ILE A 3 12.296 -2.395 1.430 1.00 2.90 C ATOM 44 H ILE A 3 9.919 -2.144 2.884 1.00 2.62 H ATOM 45 HA ILE A 3 10.490 0.581 2.033 1.00 2.04 H ATOM 46 HB ILE A 3 9.838 -1.905 0.441 1.00 2.20 H ATOM 47 HG12 ILE A 3 12.203 -1.442 -0.449 1.00 2.70 H ATOM 48 HG13 ILE A 3 12.378 -0.347 0.916 1.00 2.77 H ATOM 49 HG21 ILE A 3 10.475 0.859 -0.577 1.00 2.14 H ATOM 50 HG22 ILE A 3 8.925 0.030 -0.705 1.00 2.12 H ATOM 51 HG23 ILE A 3 10.330 -0.592 -1.569 1.00 2.18 H ATOM 52 HD11 ILE A 3 12.006 -2.201 2.453 1.00 3.27 H ATOM 53 HD12 ILE A 3 13.368 -2.513 1.377 1.00 3.27 H ATOM 54 HD13 ILE A 3 11.817 -3.299 1.087 1.00 3.15 H ATOM 55 N ASN A 4 8.220 1.439 1.593 1.00 1.59 N ATOM 56 CA ASN A 4 6.888 1.998 1.416 1.00 1.47 C ATOM 57 C ASN A 4 6.500 1.958 -0.054 1.00 1.08 C ATOM 58 O ASN A 4 6.935 2.796 -0.846 1.00 1.14 O ATOM 59 CB ASN A 4 6.842 3.443 1.925 1.00 1.84 C ATOM 60 CG ASN A 4 5.472 4.083 1.765 1.00 1.94 C ATOM 61 OD1 ASN A 4 5.160 4.672 0.729 1.00 2.63 O ATOM 62 ND2 ASN A 4 4.648 3.990 2.794 1.00 2.01 N ATOM 63 H ASN A 4 8.991 2.045 1.609 1.00 1.72 H ATOM 64 HA ASN A 4 6.192 1.398 1.984 1.00 1.58 H ATOM 65 HB2 ASN A 4 7.105 3.458 2.971 1.00 2.23 H ATOM 66 HB3 ASN A 4 7.558 4.029 1.370 1.00 2.18 H ATOM 67 HD21 ASN A 4 4.960 3.520 3.599 1.00 2.26 H ATOM 68 HD22 ASN A 4 3.757 4.389 2.710 1.00 2.28 H ATOM 69 N ALA A 5 5.709 0.969 -0.423 1.00 0.89 N ATOM 70 CA ALA A 5 5.254 0.850 -1.794 1.00 0.65 C ATOM 71 C ALA A 5 3.829 1.368 -1.929 1.00 0.56 C ATOM 72 O ALA A 5 2.899 0.820 -1.336 1.00 0.60 O ATOM 73 CB ALA A 5 5.346 -0.595 -2.257 1.00 0.80 C ATOM 74 H ALA A 5 5.417 0.312 0.243 1.00 1.05 H ATOM 75 HA ALA A 5 5.906 1.447 -2.415 1.00 0.71 H ATOM 76 HB1 ALA A 5 5.041 -0.662 -3.290 1.00 1.35 H ATOM 77 HB2 ALA A 5 4.698 -1.209 -1.651 1.00 1.32 H ATOM 78 HB3 ALA A 5 6.365 -0.940 -2.159 1.00 1.34 H ATOM 79 N PRO A 6 3.636 2.429 -2.719 1.00 0.64 N ATOM 80 CA PRO A 6 2.315 3.011 -2.945 1.00 0.70 C ATOM 81 C PRO A 6 1.457 2.163 -3.881 1.00 0.57 C ATOM 82 O PRO A 6 1.924 1.692 -4.923 1.00 0.65 O ATOM 83 CB PRO A 6 2.629 4.368 -3.578 1.00 0.95 C ATOM 84 CG PRO A 6 3.949 4.184 -4.244 1.00 1.21 C ATOM 85 CD PRO A 6 4.697 3.164 -3.429 1.00 0.87 C ATOM 86 HA PRO A 6 1.787 3.160 -2.015 1.00 0.78 H ATOM 87 HB2 PRO A 6 1.857 4.621 -4.291 1.00 1.00 H ATOM 88 HB3 PRO A 6 2.677 5.124 -2.808 1.00 1.12 H ATOM 89 HG2 PRO A 6 3.804 3.823 -5.251 1.00 1.50 H ATOM 90 HG3 PRO A 6 4.487 5.120 -4.255 1.00 1.58 H ATOM 91 HD2 PRO A 6 5.252 2.503 -4.074 1.00 0.93 H ATOM 92 HD3 PRO A 6 5.359 3.655 -2.729 1.00 0.93 H ATOM 93 N ASN A 7 0.208 1.964 -3.491 1.00 0.50 N ATOM 94 CA ASN A 7 -0.756 1.240 -4.308 1.00 0.42 C ATOM 95 C ASN A 7 -1.498 2.249 -5.183 1.00 0.48 C ATOM 96 O ASN A 7 -1.106 3.416 -5.235 1.00 0.56 O ATOM 97 CB ASN A 7 -1.743 0.486 -3.399 1.00 0.30 C ATOM 98 CG ASN A 7 -2.391 -0.725 -4.054 1.00 0.38 C ATOM 99 OD1 ASN A 7 -2.569 -0.782 -5.272 1.00 0.74 O ATOM 100 ND2 ASN A 7 -2.747 -1.709 -3.239 1.00 0.19 N ATOM 101 H ASN A 7 -0.080 2.329 -2.629 1.00 0.58 H ATOM 102 HA ASN A 7 -0.224 0.539 -4.933 1.00 0.49 H ATOM 103 HB2 ASN A 7 -1.219 0.149 -2.517 1.00 0.29 H ATOM 104 HB3 ASN A 7 -2.527 1.167 -3.099 1.00 0.33 H ATOM 105 HD21 ASN A 7 -2.565 -1.601 -2.277 1.00 0.27 H ATOM 106 HD22 ASN A 7 -3.196 -2.497 -3.620 1.00 0.26 H ATOM 107 N ARG A 8 -2.551 1.825 -5.865 1.00 0.51 N ATOM 108 CA ARG A 8 -3.397 2.762 -6.594 1.00 0.62 C ATOM 109 C ARG A 8 -4.097 3.679 -5.600 1.00 0.51 C ATOM 110 O ARG A 8 -4.383 4.842 -5.887 1.00 0.57 O ATOM 111 CB ARG A 8 -4.420 2.017 -7.454 1.00 0.75 C ATOM 112 CG ARG A 8 -3.790 1.201 -8.568 1.00 1.16 C ATOM 113 CD ARG A 8 -4.839 0.525 -9.434 1.00 1.75 C ATOM 114 NE ARG A 8 -4.232 -0.257 -10.510 1.00 2.48 N ATOM 115 CZ ARG A 8 -4.907 -1.076 -11.315 1.00 3.42 C ATOM 116 NH1 ARG A 8 -6.217 -1.231 -11.170 1.00 3.83 N ATOM 117 NH2 ARG A 8 -4.269 -1.743 -12.267 1.00 4.36 N ATOM 118 H ARG A 8 -2.760 0.864 -5.884 1.00 0.50 H ATOM 119 HA ARG A 8 -2.760 3.358 -7.231 1.00 0.73 H ATOM 120 HB2 ARG A 8 -4.987 1.349 -6.823 1.00 0.92 H ATOM 121 HB3 ARG A 8 -5.091 2.736 -7.897 1.00 1.07 H ATOM 122 HG2 ARG A 8 -3.195 1.856 -9.187 1.00 1.64 H ATOM 123 HG3 ARG A 8 -3.156 0.445 -8.130 1.00 1.67 H ATOM 124 HD2 ARG A 8 -5.431 -0.132 -8.815 1.00 2.27 H ATOM 125 HD3 ARG A 8 -5.474 1.283 -9.867 1.00 2.17 H ATOM 126 HE ARG A 8 -3.260 -0.164 -10.637 1.00 2.70 H ATOM 127 HH11 ARG A 8 -6.708 -0.733 -10.453 1.00 3.58 H ATOM 128 HH12 ARG A 8 -6.721 -1.855 -11.776 1.00 4.66 H ATOM 129 HH21 ARG A 8 -3.279 -1.632 -12.383 1.00 4.53 H ATOM 130 HH22 ARG A 8 -4.774 -2.365 -12.875 1.00 5.09 H ATOM 131 N CYS A 9 -4.341 3.134 -4.417 1.00 0.38 N ATOM 132 CA CYS A 9 -4.890 3.889 -3.302 1.00 0.29 C ATOM 133 C CYS A 9 -3.925 5.000 -2.883 1.00 0.22 C ATOM 134 O CYS A 9 -2.706 4.849 -2.996 1.00 0.30 O ATOM 135 CB CYS A 9 -5.148 2.930 -2.140 1.00 0.31 C ATOM 136 SG CYS A 9 -6.285 1.574 -2.574 1.00 0.45 S ATOM 137 H CYS A 9 -4.143 2.186 -4.288 1.00 0.38 H ATOM 138 HA CYS A 9 -5.823 4.328 -3.618 1.00 0.32 H ATOM 139 HB2 CYS A 9 -4.209 2.490 -1.828 1.00 0.28 H ATOM 140 HB3 CYS A 9 -5.582 3.472 -1.312 1.00 0.31 H ATOM 141 N PRO A 10 -4.466 6.135 -2.415 1.00 0.21 N ATOM 142 CA PRO A 10 -3.671 7.312 -2.032 1.00 0.27 C ATOM 143 C PRO A 10 -2.679 7.023 -0.906 1.00 0.19 C ATOM 144 O PRO A 10 -2.896 6.115 -0.095 1.00 0.15 O ATOM 145 CB PRO A 10 -4.723 8.321 -1.549 1.00 0.39 C ATOM 146 CG PRO A 10 -5.937 7.512 -1.256 1.00 0.38 C ATOM 147 CD PRO A 10 -5.907 6.367 -2.221 1.00 0.28 C ATOM 148 HA PRO A 10 -3.140 7.722 -2.878 1.00 0.37 H ATOM 149 HB2 PRO A 10 -4.361 8.825 -0.664 1.00 0.46 H ATOM 150 HB3 PRO A 10 -4.911 9.045 -2.326 1.00 0.49 H ATOM 151 HG2 PRO A 10 -5.899 7.148 -0.240 1.00 0.41 H ATOM 152 HG3 PRO A 10 -6.824 8.110 -1.410 1.00 0.47 H ATOM 153 HD2 PRO A 10 -6.383 5.498 -1.792 1.00 0.33 H ATOM 154 HD3 PRO A 10 -6.382 6.641 -3.151 1.00 0.32 H ATOM 155 N PRO A 11 -1.571 7.795 -0.857 1.00 0.22 N ATOM 156 CA PRO A 11 -0.583 7.720 0.225 1.00 0.21 C ATOM 157 C PRO A 11 -1.255 7.696 1.590 1.00 0.17 C ATOM 158 O PRO A 11 -2.144 8.502 1.870 1.00 0.24 O ATOM 159 CB PRO A 11 0.228 8.998 0.044 1.00 0.29 C ATOM 160 CG PRO A 11 0.169 9.265 -1.418 1.00 0.35 C ATOM 161 CD PRO A 11 -1.191 8.803 -1.869 1.00 0.33 C ATOM 162 HA PRO A 11 0.060 6.858 0.121 1.00 0.25 H ATOM 163 HB2 PRO A 11 -0.223 9.797 0.614 1.00 0.31 H ATOM 164 HB3 PRO A 11 1.242 8.838 0.376 1.00 0.35 H ATOM 165 HG2 PRO A 11 0.286 10.322 -1.605 1.00 0.42 H ATOM 166 HG3 PRO A 11 0.941 8.706 -1.925 1.00 0.45 H ATOM 167 HD2 PRO A 11 -1.889 9.627 -1.871 1.00 0.40 H ATOM 168 HD3 PRO A 11 -1.131 8.357 -2.851 1.00 0.44 H ATOM 169 N GLY A 12 -0.825 6.778 2.432 1.00 0.16 N ATOM 170 CA GLY A 12 -1.560 6.477 3.634 1.00 0.17 C ATOM 171 C GLY A 12 -2.059 5.058 3.568 1.00 0.11 C ATOM 172 O GLY A 12 -2.499 4.485 4.561 1.00 0.14 O ATOM 173 H GLY A 12 0.009 6.290 2.241 1.00 0.21 H ATOM 174 HA2 GLY A 12 -0.912 6.594 4.491 1.00 0.23 H ATOM 175 HA3 GLY A 12 -2.401 7.146 3.720 1.00 0.20 H ATOM 176 N HIS A 13 -2.004 4.504 2.363 1.00 0.12 N ATOM 177 CA HIS A 13 -2.230 3.087 2.144 1.00 0.13 C ATOM 178 C HIS A 13 -1.196 2.560 1.163 1.00 0.18 C ATOM 179 O HIS A 13 -0.966 3.147 0.107 1.00 0.36 O ATOM 180 CB HIS A 13 -3.629 2.798 1.603 1.00 0.20 C ATOM 181 CG HIS A 13 -4.748 3.171 2.528 1.00 0.28 C ATOM 182 ND1 HIS A 13 -5.272 4.443 2.610 1.00 0.44 N ATOM 183 CD2 HIS A 13 -5.453 2.422 3.407 1.00 0.41 C ATOM 184 CE1 HIS A 13 -6.249 4.458 3.498 1.00 0.49 C ATOM 185 NE2 HIS A 13 -6.379 3.243 3.997 1.00 0.47 N ATOM 186 H HIS A 13 -1.801 5.074 1.589 1.00 0.16 H ATOM 187 HA HIS A 13 -2.104 2.581 3.090 1.00 0.13 H ATOM 188 HB2 HIS A 13 -3.763 3.331 0.681 1.00 0.25 H ATOM 189 HB3 HIS A 13 -3.706 1.734 1.408 1.00 0.22 H ATOM 190 HD1 HIS A 13 -4.968 5.227 2.097 1.00 0.58 H ATOM 191 HD2 HIS A 13 -5.312 1.368 3.605 1.00 0.56 H ATOM 192 HE1 HIS A 13 -6.841 5.319 3.769 1.00 0.63 H ATOM 193 HE2 HIS A 13 -7.152 2.934 4.516 1.00 0.61 H ATOM 194 N VAL A 14 -0.580 1.459 1.523 1.00 0.11 N ATOM 195 CA VAL A 14 0.463 0.860 0.708 1.00 0.13 C ATOM 196 C VAL A 14 -0.004 -0.466 0.136 1.00 0.11 C ATOM 197 O VAL A 14 -0.948 -1.068 0.645 1.00 0.15 O ATOM 198 CB VAL A 14 1.751 0.636 1.528 1.00 0.19 C ATOM 199 CG1 VAL A 14 2.266 1.956 2.072 1.00 0.26 C ATOM 200 CG2 VAL A 14 1.513 -0.356 2.659 1.00 0.23 C ATOM 201 H VAL A 14 -0.835 1.029 2.368 1.00 0.16 H ATOM 202 HA VAL A 14 0.680 1.536 -0.105 1.00 0.16 H ATOM 203 HB VAL A 14 2.504 0.228 0.870 1.00 0.23 H ATOM 204 HG11 VAL A 14 3.135 1.778 2.689 1.00 1.02 H ATOM 205 HG12 VAL A 14 1.493 2.429 2.664 1.00 1.05 H ATOM 206 HG13 VAL A 14 2.536 2.603 1.251 1.00 1.07 H ATOM 207 HG21 VAL A 14 1.210 -1.307 2.246 1.00 1.05 H ATOM 208 HG22 VAL A 14 0.735 0.018 3.310 1.00 1.05 H ATOM 209 HG23 VAL A 14 2.425 -0.482 3.225 1.00 1.04 H ATOM 210 N VAL A 15 0.650 -0.915 -0.924 1.00 0.16 N ATOM 211 CA VAL A 15 0.264 -2.151 -1.570 1.00 0.17 C ATOM 212 C VAL A 15 0.859 -3.363 -0.861 1.00 0.18 C ATOM 213 O VAL A 15 2.066 -3.598 -0.883 1.00 0.28 O ATOM 214 CB VAL A 15 0.632 -2.167 -3.072 1.00 0.24 C ATOM 215 CG1 VAL A 15 2.111 -1.885 -3.291 1.00 0.42 C ATOM 216 CG2 VAL A 15 0.230 -3.495 -3.700 1.00 0.37 C ATOM 217 H VAL A 15 1.416 -0.406 -1.273 1.00 0.23 H ATOM 218 HA VAL A 15 -0.813 -2.221 -1.498 1.00 0.14 H ATOM 219 HB VAL A 15 0.072 -1.383 -3.558 1.00 0.42 H ATOM 220 HG11 VAL A 15 2.360 -0.921 -2.873 1.00 1.13 H ATOM 221 HG12 VAL A 15 2.324 -1.884 -4.350 1.00 1.12 H ATOM 222 HG13 VAL A 15 2.698 -2.651 -2.805 1.00 1.12 H ATOM 223 HG21 VAL A 15 0.393 -3.452 -4.765 1.00 1.12 H ATOM 224 HG22 VAL A 15 -0.814 -3.689 -3.498 1.00 1.10 H ATOM 225 HG23 VAL A 15 0.830 -4.287 -3.277 1.00 1.09 H ATOM 226 N VAL A 16 -0.009 -4.102 -0.200 1.00 0.14 N ATOM 227 CA VAL A 16 0.355 -5.354 0.420 1.00 0.18 C ATOM 228 C VAL A 16 -0.454 -6.486 -0.214 1.00 0.14 C ATOM 229 O VAL A 16 -1.659 -6.606 0.005 1.00 0.21 O ATOM 230 CB VAL A 16 0.132 -5.304 1.951 1.00 0.29 C ATOM 231 CG1 VAL A 16 -1.288 -4.872 2.287 1.00 0.51 C ATOM 232 CG2 VAL A 16 0.458 -6.644 2.592 1.00 0.55 C ATOM 233 H VAL A 16 -0.938 -3.785 -0.119 1.00 0.14 H ATOM 234 HA VAL A 16 1.406 -5.527 0.231 1.00 0.24 H ATOM 235 HB VAL A 16 0.806 -4.566 2.359 1.00 0.50 H ATOM 236 HG11 VAL A 16 -1.429 -4.905 3.357 1.00 1.17 H ATOM 237 HG12 VAL A 16 -1.990 -5.538 1.810 1.00 1.17 H ATOM 238 HG13 VAL A 16 -1.452 -3.861 1.933 1.00 1.19 H ATOM 239 HG21 VAL A 16 1.499 -6.881 2.423 1.00 1.20 H ATOM 240 HG22 VAL A 16 -0.161 -7.412 2.154 1.00 1.18 H ATOM 241 HG23 VAL A 16 0.269 -6.591 3.653 1.00 1.21 H ATOM 242 N LYS A 17 0.209 -7.277 -1.052 1.00 0.20 N ATOM 243 CA LYS A 17 -0.436 -8.389 -1.747 1.00 0.30 C ATOM 244 C LYS A 17 -1.618 -7.895 -2.581 1.00 0.25 C ATOM 245 O LYS A 17 -2.647 -8.563 -2.685 1.00 0.33 O ATOM 246 CB LYS A 17 -0.902 -9.443 -0.741 1.00 0.44 C ATOM 247 CG LYS A 17 0.222 -10.010 0.112 1.00 0.92 C ATOM 248 CD LYS A 17 -0.302 -10.962 1.176 1.00 1.34 C ATOM 249 CE LYS A 17 -1.246 -10.256 2.139 1.00 2.04 C ATOM 250 NZ LYS A 17 -1.751 -11.166 3.198 1.00 2.67 N ATOM 251 H LYS A 17 1.163 -7.108 -1.206 1.00 0.27 H ATOM 252 HA LYS A 17 0.294 -8.833 -2.406 1.00 0.40 H ATOM 253 HB2 LYS A 17 -1.632 -8.994 -0.086 1.00 0.83 H ATOM 254 HB3 LYS A 17 -1.366 -10.256 -1.278 1.00 0.81 H ATOM 255 HG2 LYS A 17 0.910 -10.546 -0.525 1.00 1.38 H ATOM 256 HG3 LYS A 17 0.738 -9.195 0.595 1.00 1.42 H ATOM 257 HD2 LYS A 17 -0.834 -11.768 0.693 1.00 1.78 H ATOM 258 HD3 LYS A 17 0.533 -11.361 1.733 1.00 1.80 H ATOM 259 HE2 LYS A 17 -0.719 -9.438 2.604 1.00 2.51 H ATOM 260 HE3 LYS A 17 -2.086 -9.871 1.581 1.00 2.53 H ATOM 261 HZ1 LYS A 17 -0.992 -11.494 3.760 1.00 3.04 H ATOM 262 HZ2 LYS A 17 -2.209 -11.954 2.789 1.00 3.03 H ATOM 263 HZ3 LYS A 17 -2.402 -10.683 3.784 1.00 3.03 H ATOM 264 N GLY A 18 -1.469 -6.706 -3.153 1.00 0.21 N ATOM 265 CA GLY A 18 -2.519 -6.132 -3.975 1.00 0.25 C ATOM 266 C GLY A 18 -3.430 -5.197 -3.201 1.00 0.26 C ATOM 267 O GLY A 18 -4.108 -4.351 -3.787 1.00 0.51 O ATOM 268 H GLY A 18 -0.632 -6.214 -3.018 1.00 0.23 H ATOM 269 HA2 GLY A 18 -2.064 -5.581 -4.785 1.00 0.29 H ATOM 270 HA3 GLY A 18 -3.114 -6.933 -4.390 1.00 0.28 H ATOM 271 N ARG A 19 -3.432 -5.335 -1.884 1.00 0.12 N ATOM 272 CA ARG A 19 -4.312 -4.557 -1.021 1.00 0.16 C ATOM 273 C ARG A 19 -3.673 -3.237 -0.630 1.00 0.12 C ATOM 274 O ARG A 19 -2.457 -3.092 -0.677 1.00 0.18 O ATOM 275 CB ARG A 19 -4.629 -5.353 0.245 1.00 0.28 C ATOM 276 CG ARG A 19 -6.085 -5.754 0.388 1.00 0.68 C ATOM 277 CD ARG A 19 -6.973 -4.568 0.743 1.00 0.94 C ATOM 278 NE ARG A 19 -7.253 -3.709 -0.410 1.00 1.06 N ATOM 279 CZ ARG A 19 -7.745 -2.473 -0.314 1.00 1.47 C ATOM 280 NH1 ARG A 19 -7.969 -1.936 0.877 1.00 1.66 N ATOM 281 NH2 ARG A 19 -7.998 -1.775 -1.410 1.00 1.91 N ATOM 282 H ARG A 19 -2.817 -5.979 -1.473 1.00 0.20 H ATOM 283 HA ARG A 19 -5.222 -4.361 -1.563 1.00 0.22 H ATOM 284 HB2 ARG A 19 -4.035 -6.255 0.243 1.00 0.79 H ATOM 285 HB3 ARG A 19 -4.357 -4.758 1.104 1.00 0.80 H ATOM 286 HG2 ARG A 19 -6.420 -6.172 -0.547 1.00 1.15 H ATOM 287 HG3 ARG A 19 -6.165 -6.498 1.166 1.00 1.10 H ATOM 288 HD2 ARG A 19 -7.906 -4.940 1.135 1.00 1.23 H ATOM 289 HD3 ARG A 19 -6.474 -3.981 1.503 1.00 1.42 H ATOM 290 HE ARG A 19 -7.084 -4.085 -1.305 1.00 1.10 H ATOM 291 HH11 ARG A 19 -7.771 -2.455 1.714 1.00 1.58 H ATOM 292 HH12 ARG A 19 -8.342 -1.004 0.953 1.00 2.02 H ATOM 293 HH21 ARG A 19 -7.820 -2.171 -2.314 1.00 1.98 H ATOM 294 HH22 ARG A 19 -8.373 -0.845 -1.342 1.00 2.27 H ATOM 295 N CYS A 20 -4.499 -2.275 -0.256 1.00 0.12 N ATOM 296 CA CYS A 20 -4.009 -1.004 0.234 1.00 0.13 C ATOM 297 C CYS A 20 -4.132 -0.959 1.750 1.00 0.13 C ATOM 298 O CYS A 20 -5.215 -0.753 2.294 1.00 0.22 O ATOM 299 CB CYS A 20 -4.788 0.149 -0.382 1.00 0.24 C ATOM 300 SG CYS A 20 -5.232 -0.097 -2.130 1.00 1.00 S ATOM 301 H CYS A 20 -5.465 -2.422 -0.311 1.00 0.17 H ATOM 302 HA CYS A 20 -2.967 -0.918 -0.038 1.00 0.16 H ATOM 303 HB2 CYS A 20 -5.695 0.302 0.176 1.00 0.96 H ATOM 304 HB3 CYS A 20 -4.186 1.041 -0.324 1.00 0.83 H ATOM 305 N ARG A 21 -3.017 -1.159 2.416 1.00 0.11 N ATOM 306 CA ARG A 21 -2.980 -1.223 3.870 1.00 0.15 C ATOM 307 C ARG A 21 -2.589 0.134 4.433 1.00 0.11 C ATOM 308 O ARG A 21 -1.753 0.817 3.855 1.00 0.15 O ATOM 309 CB ARG A 21 -1.954 -2.264 4.312 1.00 0.25 C ATOM 310 CG ARG A 21 -1.978 -2.566 5.800 1.00 0.75 C ATOM 311 CD ARG A 21 -0.661 -3.167 6.258 1.00 0.82 C ATOM 312 NE ARG A 21 0.438 -2.216 6.111 1.00 0.79 N ATOM 313 CZ ARG A 21 1.729 -2.544 6.157 1.00 1.18 C ATOM 314 NH1 ARG A 21 2.101 -3.803 6.365 1.00 1.84 N ATOM 315 NH2 ARG A 21 2.648 -1.604 5.993 1.00 1.28 N ATOM 316 H ARG A 21 -2.182 -1.249 1.911 1.00 0.13 H ATOM 317 HA ARG A 21 -3.960 -1.501 4.228 1.00 0.22 H ATOM 318 HB2 ARG A 21 -2.144 -3.182 3.778 1.00 0.70 H ATOM 319 HB3 ARG A 21 -0.967 -1.907 4.055 1.00 0.73 H ATOM 320 HG2 ARG A 21 -2.153 -1.650 6.343 1.00 1.35 H ATOM 321 HG3 ARG A 21 -2.774 -3.267 6.004 1.00 1.24 H ATOM 322 HD2 ARG A 21 -0.748 -3.451 7.297 1.00 1.08 H ATOM 323 HD3 ARG A 21 -0.452 -4.042 5.661 1.00 1.18 H ATOM 324 HE ARG A 21 0.197 -1.276 5.967 1.00 0.97 H ATOM 325 HH11 ARG A 21 1.411 -4.524 6.487 1.00 1.95 H ATOM 326 HH12 ARG A 21 3.077 -4.038 6.405 1.00 2.35 H ATOM 327 HH21 ARG A 21 2.379 -0.655 5.837 1.00 1.21 H ATOM 328 HH22 ARG A 21 3.623 -1.842 6.024 1.00 1.69 H ATOM 329 N ILE A 22 -3.183 0.514 5.555 1.00 0.14 N ATOM 330 CA ILE A 22 -2.893 1.804 6.178 1.00 0.16 C ATOM 331 C ILE A 22 -1.412 1.919 6.505 1.00 0.17 C ATOM 332 O ILE A 22 -0.885 1.134 7.299 1.00 0.31 O ATOM 333 CB ILE A 22 -3.684 2.025 7.486 1.00 0.28 C ATOM 334 CG1 ILE A 22 -5.202 2.062 7.244 1.00 0.39 C ATOM 335 CG2 ILE A 22 -3.238 3.318 8.160 1.00 0.33 C ATOM 336 CD1 ILE A 22 -5.832 0.714 6.961 1.00 1.22 C ATOM 337 H ILE A 22 -3.824 -0.090 5.985 1.00 0.20 H ATOM 338 HA ILE A 22 -3.162 2.582 5.479 1.00 0.18 H ATOM 339 HB ILE A 22 -3.444 1.208 8.148 1.00 0.32 H ATOM 340 HG12 ILE A 22 -5.684 2.468 8.120 1.00 1.13 H ATOM 341 HG13 ILE A 22 -5.406 2.706 6.400 1.00 1.18 H ATOM 342 HG21 ILE A 22 -3.432 4.152 7.502 1.00 1.07 H ATOM 343 HG22 ILE A 22 -2.181 3.266 8.373 1.00 1.08 H ATOM 344 HG23 ILE A 22 -3.785 3.450 9.080 1.00 1.08 H ATOM 345 HD11 ILE A 22 -5.575 0.023 7.749 1.00 1.81 H ATOM 346 HD12 ILE A 22 -5.470 0.338 6.016 1.00 1.85 H ATOM 347 HD13 ILE A 22 -6.905 0.824 6.916 1.00 1.82 H ATOM 348 N ALA A 23 -0.754 2.885 5.879 1.00 0.17 N ATOM 349 CA ALA A 23 0.648 3.153 6.116 1.00 0.23 C ATOM 350 C ALA A 23 1.076 4.413 5.367 1.00 0.40 C ATOM 351 O ALA A 23 1.012 4.422 4.121 1.00 0.64 O ATOM 352 CB ALA A 23 1.486 1.952 5.713 1.00 0.35 C ATOM 353 OXT ALA A 23 1.470 5.397 6.034 1.00 1.33 O ATOM 354 H ALA A 23 -1.230 3.437 5.218 1.00 0.25 H ATOM 355 HA ALA A 23 0.781 3.316 7.177 1.00 0.28 H ATOM 356 HB1 ALA A 23 2.523 2.134 5.953 1.00 1.12 H ATOM 357 HB2 ALA A 23 1.382 1.779 4.654 1.00 1.08 H ATOM 358 HB3 ALA A 23 1.136 1.082 6.256 1.00 1.09 H TER 359 ALA A 23 ENDMDL MODEL 2 ATOM 1 N THR A 1 15.920 -1.393 4.607 1.00 4.74 N ATOM 2 CA THR A 1 15.295 -0.215 3.978 1.00 4.28 C ATOM 3 C THR A 1 13.799 -0.445 3.780 1.00 3.85 C ATOM 4 O THR A 1 13.389 -1.434 3.165 1.00 4.08 O ATOM 5 CB THR A 1 15.961 0.093 2.621 1.00 4.65 C ATOM 6 OG1 THR A 1 17.375 0.259 2.798 1.00 5.17 O ATOM 7 CG2 THR A 1 15.379 1.351 1.991 1.00 4.88 C ATOM 8 H1 THR A 1 15.504 -1.567 5.500 1.00 4.93 H ATOM 9 H2 THR A 1 16.897 -1.237 4.731 1.00 4.98 H ATOM 10 H3 THR A 1 15.792 -2.199 4.028 1.00 5.05 H ATOM 11 HA THR A 1 15.437 0.633 4.630 1.00 4.46 H ATOM 12 HB THR A 1 15.785 -0.737 1.953 1.00 4.91 H ATOM 13 HG1 THR A 1 17.800 0.313 1.932 1.00 5.46 H ATOM 14 HG21 THR A 1 15.829 1.508 1.023 1.00 5.08 H ATOM 15 HG22 THR A 1 15.586 2.199 2.625 1.00 5.10 H ATOM 16 HG23 THR A 1 14.311 1.238 1.878 1.00 5.13 H ATOM 17 N ILE A 2 12.986 0.459 4.313 1.00 3.53 N ATOM 18 CA ILE A 2 11.541 0.354 4.176 1.00 3.22 C ATOM 19 C ILE A 2 11.092 0.852 2.807 1.00 2.69 C ATOM 20 O ILE A 2 11.277 2.019 2.457 1.00 2.69 O ATOM 21 CB ILE A 2 10.792 1.122 5.291 1.00 3.57 C ATOM 22 CG1 ILE A 2 11.359 2.537 5.466 1.00 3.97 C ATOM 23 CG2 ILE A 2 10.864 0.349 6.601 1.00 3.95 C ATOM 24 CD1 ILE A 2 10.624 3.367 6.498 1.00 4.45 C ATOM 25 H ILE A 2 13.369 1.221 4.804 1.00 3.73 H ATOM 26 HA ILE A 2 11.284 -0.691 4.259 1.00 3.33 H ATOM 27 HB ILE A 2 9.752 1.193 5.006 1.00 3.84 H ATOM 28 HG12 ILE A 2 12.390 2.467 5.774 1.00 4.24 H ATOM 29 HG13 ILE A 2 11.305 3.058 4.521 1.00 4.21 H ATOM 30 HG21 ILE A 2 10.402 -0.619 6.474 1.00 4.15 H ATOM 31 HG22 ILE A 2 10.341 0.897 7.372 1.00 4.32 H ATOM 32 HG23 ILE A 2 11.896 0.220 6.888 1.00 4.23 H ATOM 33 HD11 ILE A 2 10.680 2.877 7.459 1.00 4.75 H ATOM 34 HD12 ILE A 2 9.590 3.472 6.207 1.00 4.72 H ATOM 35 HD13 ILE A 2 11.080 4.343 6.565 1.00 4.70 H ATOM 36 N ILE A 3 10.522 -0.053 2.026 1.00 2.42 N ATOM 37 CA ILE A 3 10.064 0.265 0.683 1.00 1.99 C ATOM 38 C ILE A 3 8.614 0.726 0.718 1.00 1.72 C ATOM 39 O ILE A 3 7.750 0.038 1.263 1.00 1.80 O ATOM 40 CB ILE A 3 10.191 -0.958 -0.252 1.00 2.08 C ATOM 41 CG1 ILE A 3 11.640 -1.459 -0.272 1.00 2.47 C ATOM 42 CG2 ILE A 3 9.721 -0.615 -1.661 1.00 1.90 C ATOM 43 CD1 ILE A 3 11.837 -2.729 -1.071 1.00 2.90 C ATOM 44 H ILE A 3 10.404 -0.966 2.364 1.00 2.62 H ATOM 45 HA ILE A 3 10.681 1.062 0.294 1.00 2.04 H ATOM 46 HB ILE A 3 9.555 -1.740 0.131 1.00 2.20 H ATOM 47 HG12 ILE A 3 12.271 -0.697 -0.704 1.00 2.70 H ATOM 48 HG13 ILE A 3 11.961 -1.651 0.742 1.00 2.77 H ATOM 49 HG21 ILE A 3 8.686 -0.310 -1.630 1.00 2.14 H ATOM 50 HG22 ILE A 3 9.822 -1.483 -2.295 1.00 2.12 H ATOM 51 HG23 ILE A 3 10.322 0.190 -2.055 1.00 2.18 H ATOM 52 HD11 ILE A 3 11.227 -3.515 -0.652 1.00 3.27 H ATOM 53 HD12 ILE A 3 12.877 -3.020 -1.034 1.00 3.27 H ATOM 54 HD13 ILE A 3 11.548 -2.557 -2.097 1.00 3.15 H ATOM 55 N ASN A 4 8.350 1.891 0.153 1.00 1.59 N ATOM 56 CA ASN A 4 6.997 2.427 0.120 1.00 1.47 C ATOM 57 C ASN A 4 6.428 2.350 -1.287 1.00 1.08 C ATOM 58 O ASN A 4 6.717 3.193 -2.137 1.00 1.14 O ATOM 59 CB ASN A 4 6.980 3.876 0.611 1.00 1.84 C ATOM 60 CG ASN A 4 5.588 4.483 0.592 1.00 1.94 C ATOM 61 OD1 ASN A 4 5.186 5.124 -0.380 1.00 2.63 O ATOM 62 ND2 ASN A 4 4.838 4.283 1.665 1.00 2.01 N ATOM 63 H ASN A 4 9.079 2.399 -0.263 1.00 1.72 H ATOM 64 HA ASN A 4 6.387 1.826 0.777 1.00 1.58 H ATOM 65 HB2 ASN A 4 7.356 3.913 1.622 1.00 2.23 H ATOM 66 HB3 ASN A 4 7.618 4.467 -0.028 1.00 2.18 H ATOM 67 HD21 ASN A 4 5.218 3.761 2.407 1.00 2.26 H ATOM 68 HD22 ASN A 4 3.927 4.653 1.672 1.00 2.28 H ATOM 69 N ALA A 5 5.633 1.324 -1.529 1.00 0.89 N ATOM 70 CA ALA A 5 4.971 1.156 -2.809 1.00 0.65 C ATOM 71 C ALA A 5 3.508 1.570 -2.709 1.00 0.56 C ATOM 72 O ALA A 5 2.742 0.988 -1.936 1.00 0.60 O ATOM 73 CB ALA A 5 5.094 -0.282 -3.283 1.00 0.80 C ATOM 74 H ALA A 5 5.476 0.667 -0.822 1.00 1.05 H ATOM 75 HA ALA A 5 5.468 1.792 -3.526 1.00 0.71 H ATOM 76 HB1 ALA A 5 6.137 -0.556 -3.336 1.00 1.35 H ATOM 77 HB2 ALA A 5 4.647 -0.377 -4.262 1.00 1.32 H ATOM 78 HB3 ALA A 5 4.585 -0.934 -2.590 1.00 1.34 H ATOM 79 N PRO A 6 3.101 2.577 -3.488 1.00 0.64 N ATOM 80 CA PRO A 6 1.725 3.063 -3.489 1.00 0.70 C ATOM 81 C PRO A 6 0.789 2.130 -4.248 1.00 0.57 C ATOM 82 O PRO A 6 1.202 1.423 -5.170 1.00 0.65 O ATOM 83 CB PRO A 6 1.829 4.413 -4.194 1.00 0.95 C ATOM 84 CG PRO A 6 3.002 4.280 -5.102 1.00 1.21 C ATOM 85 CD PRO A 6 3.952 3.320 -4.435 1.00 0.87 C ATOM 86 HA PRO A 6 1.355 3.204 -2.484 1.00 0.78 H ATOM 87 HB2 PRO A 6 0.921 4.604 -4.748 1.00 1.00 H ATOM 88 HB3 PRO A 6 1.982 5.193 -3.464 1.00 1.12 H ATOM 89 HG2 PRO A 6 2.684 3.888 -6.056 1.00 1.50 H ATOM 90 HG3 PRO A 6 3.474 5.243 -5.232 1.00 1.58 H ATOM 91 HD2 PRO A 6 4.381 2.651 -5.163 1.00 0.93 H ATOM 92 HD3 PRO A 6 4.727 3.860 -3.911 1.00 0.93 H ATOM 93 N ASN A 7 -0.469 2.125 -3.850 1.00 0.50 N ATOM 94 CA ASN A 7 -1.471 1.286 -4.485 1.00 0.42 C ATOM 95 C ASN A 7 -2.469 2.182 -5.217 1.00 0.48 C ATOM 96 O ASN A 7 -2.188 3.360 -5.444 1.00 0.56 O ATOM 97 CB ASN A 7 -2.185 0.436 -3.420 1.00 0.30 C ATOM 98 CG ASN A 7 -2.800 -0.843 -3.971 1.00 0.38 C ATOM 99 OD1 ASN A 7 -3.153 -0.931 -5.146 1.00 0.74 O ATOM 100 ND2 ASN A 7 -2.947 -1.843 -3.116 1.00 0.19 N ATOM 101 H ASN A 7 -0.737 2.715 -3.112 1.00 0.58 H ATOM 102 HA ASN A 7 -0.979 0.639 -5.195 1.00 0.49 H ATOM 103 HB2 ASN A 7 -1.475 0.164 -2.654 1.00 0.29 H ATOM 104 HB3 ASN A 7 -2.973 1.027 -2.974 1.00 0.33 H ATOM 105 HD21 ASN A 7 -2.654 -1.714 -2.188 1.00 0.27 H ATOM 106 HD22 ASN A 7 -3.356 -2.676 -3.444 1.00 0.26 H ATOM 107 N ARG A 8 -3.618 1.635 -5.596 1.00 0.51 N ATOM 108 CA ARG A 8 -4.702 2.444 -6.140 1.00 0.62 C ATOM 109 C ARG A 8 -5.144 3.444 -5.086 1.00 0.51 C ATOM 110 O ARG A 8 -5.588 4.549 -5.390 1.00 0.57 O ATOM 111 CB ARG A 8 -5.879 1.563 -6.570 1.00 0.75 C ATOM 112 CG ARG A 8 -5.778 1.000 -7.988 1.00 1.16 C ATOM 113 CD ARG A 8 -4.538 0.140 -8.207 1.00 1.75 C ATOM 114 NE ARG A 8 -3.329 0.940 -8.413 1.00 2.48 N ATOM 115 CZ ARG A 8 -2.091 0.447 -8.366 1.00 3.42 C ATOM 116 NH1 ARG A 8 -1.895 -0.852 -8.164 1.00 3.83 N ATOM 117 NH2 ARG A 8 -1.051 1.255 -8.534 1.00 4.36 N ATOM 118 H ARG A 8 -3.733 0.661 -5.519 1.00 0.50 H ATOM 119 HA ARG A 8 -4.323 2.980 -6.999 1.00 0.73 H ATOM 120 HB2 ARG A 8 -5.952 0.730 -5.886 1.00 0.92 H ATOM 121 HB3 ARG A 8 -6.786 2.146 -6.504 1.00 1.07 H ATOM 122 HG2 ARG A 8 -6.649 0.395 -8.182 1.00 1.64 H ATOM 123 HG3 ARG A 8 -5.757 1.825 -8.685 1.00 1.67 H ATOM 124 HD2 ARG A 8 -4.396 -0.487 -7.340 1.00 2.27 H ATOM 125 HD3 ARG A 8 -4.699 -0.480 -9.075 1.00 2.17 H ATOM 126 HE ARG A 8 -3.451 1.901 -8.588 1.00 2.70 H ATOM 127 HH11 ARG A 8 -2.678 -1.469 -8.050 1.00 3.58 H ATOM 128 HH12 ARG A 8 -0.962 -1.221 -8.122 1.00 4.66 H ATOM 129 HH21 ARG A 8 -1.195 2.236 -8.697 1.00 4.53 H ATOM 130 HH22 ARG A 8 -0.118 0.890 -8.497 1.00 5.09 H ATOM 131 N CYS A 9 -5.006 3.030 -3.838 1.00 0.38 N ATOM 132 CA CYS A 9 -5.188 3.909 -2.705 1.00 0.29 C ATOM 133 C CYS A 9 -3.933 4.760 -2.523 1.00 0.22 C ATOM 134 O CYS A 9 -2.818 4.235 -2.515 1.00 0.30 O ATOM 135 CB CYS A 9 -5.445 3.075 -1.454 1.00 0.31 C ATOM 136 SG CYS A 9 -6.810 1.873 -1.624 1.00 0.45 S ATOM 137 H CYS A 9 -4.774 2.095 -3.677 1.00 0.38 H ATOM 138 HA CYS A 9 -6.037 4.548 -2.898 1.00 0.32 H ATOM 139 HB2 CYS A 9 -4.545 2.526 -1.213 1.00 0.28 H ATOM 140 HB3 CYS A 9 -5.686 3.737 -0.635 1.00 0.31 H ATOM 141 N PRO A 10 -4.105 6.080 -2.386 1.00 0.21 N ATOM 142 CA PRO A 10 -2.984 7.029 -2.274 1.00 0.27 C ATOM 143 C PRO A 10 -2.268 6.942 -0.922 1.00 0.19 C ATOM 144 O PRO A 10 -2.688 6.166 -0.057 1.00 0.15 O ATOM 145 CB PRO A 10 -3.680 8.383 -2.432 1.00 0.39 C ATOM 146 CG PRO A 10 -5.051 8.157 -1.908 1.00 0.38 C ATOM 147 CD PRO A 10 -5.412 6.763 -2.325 1.00 0.28 C ATOM 148 HA PRO A 10 -2.268 6.893 -3.071 1.00 0.37 H ATOM 149 HB2 PRO A 10 -3.154 9.131 -1.858 1.00 0.46 H ATOM 150 HB3 PRO A 10 -3.697 8.665 -3.474 1.00 0.49 H ATOM 151 HG2 PRO A 10 -5.051 8.240 -0.830 1.00 0.41 H ATOM 152 HG3 PRO A 10 -5.736 8.870 -2.342 1.00 0.47 H ATOM 153 HD2 PRO A 10 -6.055 6.303 -1.589 1.00 0.33 H ATOM 154 HD3 PRO A 10 -5.888 6.769 -3.294 1.00 0.32 H ATOM 155 N PRO A 11 -1.168 7.721 -0.733 1.00 0.22 N ATOM 156 CA PRO A 11 -0.446 7.817 0.543 1.00 0.21 C ATOM 157 C PRO A 11 -1.373 7.728 1.749 1.00 0.17 C ATOM 158 O PRO A 11 -2.394 8.420 1.822 1.00 0.24 O ATOM 159 CB PRO A 11 0.198 9.193 0.448 1.00 0.29 C ATOM 160 CG PRO A 11 0.522 9.346 -0.999 1.00 0.35 C ATOM 161 CD PRO A 11 -0.515 8.554 -1.763 1.00 0.33 C ATOM 162 HA PRO A 11 0.320 7.061 0.621 1.00 0.25 H ATOM 163 HB2 PRO A 11 -0.500 9.946 0.782 1.00 0.31 H ATOM 164 HB3 PRO A 11 1.089 9.222 1.057 1.00 0.35 H ATOM 165 HG2 PRO A 11 0.472 10.389 -1.275 1.00 0.42 H ATOM 166 HG3 PRO A 11 1.509 8.955 -1.195 1.00 0.45 H ATOM 167 HD2 PRO A 11 -1.227 9.219 -2.229 1.00 0.40 H ATOM 168 HD3 PRO A 11 -0.037 7.935 -2.509 1.00 0.44 H ATOM 169 N GLY A 12 -1.005 6.879 2.691 1.00 0.16 N ATOM 170 CA GLY A 12 -1.919 6.487 3.734 1.00 0.17 C ATOM 171 C GLY A 12 -2.302 5.042 3.543 1.00 0.11 C ATOM 172 O GLY A 12 -2.807 4.386 4.451 1.00 0.14 O ATOM 173 H GLY A 12 -0.091 6.515 2.689 1.00 0.21 H ATOM 174 HA2 GLY A 12 -1.441 6.611 4.696 1.00 0.23 H ATOM 175 HA3 GLY A 12 -2.804 7.100 3.686 1.00 0.20 H ATOM 176 N HIS A 13 -2.064 4.553 2.332 1.00 0.12 N ATOM 177 CA HIS A 13 -2.253 3.150 2.010 1.00 0.13 C ATOM 178 C HIS A 13 -1.134 2.667 1.098 1.00 0.18 C ATOM 179 O HIS A 13 -0.741 3.365 0.164 1.00 0.36 O ATOM 180 CB HIS A 13 -3.584 2.903 1.304 1.00 0.20 C ATOM 181 CG HIS A 13 -4.802 3.361 2.042 1.00 0.28 C ATOM 182 ND1 HIS A 13 -5.239 4.668 2.054 1.00 0.44 N ATOM 183 CD2 HIS A 13 -5.701 2.660 2.764 1.00 0.41 C ATOM 184 CE1 HIS A 13 -6.356 4.749 2.754 1.00 0.49 C ATOM 185 NE2 HIS A 13 -6.658 3.544 3.195 1.00 0.47 N ATOM 186 H HIS A 13 -1.747 5.162 1.626 1.00 0.16 H ATOM 187 HA HIS A 13 -2.229 2.587 2.931 1.00 0.13 H ATOM 188 HB2 HIS A 13 -3.570 3.400 0.351 1.00 0.25 H ATOM 189 HB3 HIS A 13 -3.682 1.841 1.143 1.00 0.22 H ATOM 190 HD1 HIS A 13 -4.791 5.431 1.623 1.00 0.58 H ATOM 191 HD2 HIS A 13 -5.677 1.596 2.957 1.00 0.56 H ATOM 192 HE1 HIS A 13 -6.926 5.648 2.933 1.00 0.63 H ATOM 193 HE2 HIS A 13 -7.510 3.294 3.614 1.00 0.61 H ATOM 194 N VAL A 14 -0.633 1.474 1.366 1.00 0.11 N ATOM 195 CA VAL A 14 0.398 0.872 0.532 1.00 0.13 C ATOM 196 C VAL A 14 -0.085 -0.454 -0.036 1.00 0.11 C ATOM 197 O VAL A 14 -1.003 -1.066 0.508 1.00 0.15 O ATOM 198 CB VAL A 14 1.702 0.635 1.325 1.00 0.19 C ATOM 199 CG1 VAL A 14 2.264 1.947 1.842 1.00 0.26 C ATOM 200 CG2 VAL A 14 1.466 -0.329 2.480 1.00 0.23 C ATOM 201 H VAL A 14 -0.958 0.986 2.155 1.00 0.16 H ATOM 202 HA VAL A 14 0.600 1.550 -0.284 1.00 0.16 H ATOM 203 HB VAL A 14 2.430 0.195 0.659 1.00 0.23 H ATOM 204 HG11 VAL A 14 1.543 2.408 2.503 1.00 1.02 H ATOM 205 HG12 VAL A 14 2.466 2.605 1.010 1.00 1.05 H ATOM 206 HG13 VAL A 14 3.179 1.756 2.384 1.00 1.07 H ATOM 207 HG21 VAL A 14 1.120 -1.275 2.093 1.00 1.05 H ATOM 208 HG22 VAL A 14 0.720 0.082 3.144 1.00 1.05 H ATOM 209 HG23 VAL A 14 2.388 -0.476 3.021 1.00 1.04 H ATOM 210 N VAL A 15 0.525 -0.893 -1.129 1.00 0.16 N ATOM 211 CA VAL A 15 0.131 -2.143 -1.766 1.00 0.17 C ATOM 212 C VAL A 15 0.812 -3.345 -1.104 1.00 0.18 C ATOM 213 O VAL A 15 2.016 -3.564 -1.250 1.00 0.28 O ATOM 214 CB VAL A 15 0.417 -2.125 -3.290 1.00 0.24 C ATOM 215 CG1 VAL A 15 1.875 -1.818 -3.588 1.00 0.42 C ATOM 216 CG2 VAL A 15 0.002 -3.442 -3.933 1.00 0.37 C ATOM 217 H VAL A 15 1.260 -0.364 -1.518 1.00 0.23 H ATOM 218 HA VAL A 15 -0.937 -2.246 -1.632 1.00 0.14 H ATOM 219 HB VAL A 15 -0.180 -1.339 -3.729 1.00 0.42 H ATOM 220 HG11 VAL A 15 2.030 -1.812 -4.656 1.00 1.13 H ATOM 221 HG12 VAL A 15 2.500 -2.576 -3.138 1.00 1.12 H ATOM 222 HG13 VAL A 15 2.130 -0.851 -3.180 1.00 1.12 H ATOM 223 HG21 VAL A 15 -1.057 -3.595 -3.790 1.00 1.12 H ATOM 224 HG22 VAL A 15 0.547 -4.253 -3.474 1.00 1.10 H ATOM 225 HG23 VAL A 15 0.223 -3.414 -4.989 1.00 1.09 H ATOM 226 N VAL A 16 0.036 -4.095 -0.335 1.00 0.14 N ATOM 227 CA VAL A 16 0.521 -5.318 0.284 1.00 0.18 C ATOM 228 C VAL A 16 -0.284 -6.501 -0.223 1.00 0.14 C ATOM 229 O VAL A 16 -1.457 -6.643 0.119 1.00 0.21 O ATOM 230 CB VAL A 16 0.398 -5.273 1.816 1.00 0.29 C ATOM 231 CG1 VAL A 16 1.604 -5.926 2.473 1.00 0.51 C ATOM 232 CG2 VAL A 16 0.210 -3.847 2.295 1.00 0.55 C ATOM 233 H VAL A 16 -0.892 -3.807 -0.159 1.00 0.14 H ATOM 234 HA VAL A 16 1.561 -5.449 0.020 1.00 0.24 H ATOM 235 HB VAL A 16 -0.479 -5.839 2.097 1.00 0.50 H ATOM 236 HG11 VAL A 16 2.501 -5.401 2.179 1.00 1.17 H ATOM 237 HG12 VAL A 16 1.670 -6.957 2.159 1.00 1.17 H ATOM 238 HG13 VAL A 16 1.498 -5.881 3.547 1.00 1.19 H ATOM 239 HG21 VAL A 16 -0.668 -3.429 1.818 1.00 1.20 H ATOM 240 HG22 VAL A 16 1.077 -3.263 2.032 1.00 1.18 H ATOM 241 HG23 VAL A 16 0.077 -3.839 3.365 1.00 1.21 H ATOM 242 N LYS A 17 0.339 -7.319 -1.063 1.00 0.20 N ATOM 243 CA LYS A 17 -0.309 -8.502 -1.629 1.00 0.30 C ATOM 244 C LYS A 17 -1.549 -8.117 -2.437 1.00 0.25 C ATOM 245 O LYS A 17 -2.479 -8.911 -2.593 1.00 0.33 O ATOM 246 CB LYS A 17 -0.681 -9.496 -0.524 1.00 0.44 C ATOM 247 CG LYS A 17 0.510 -9.965 0.298 1.00 0.92 C ATOM 248 CD LYS A 17 0.097 -10.959 1.371 1.00 1.34 C ATOM 249 CE LYS A 17 -0.843 -10.333 2.387 1.00 2.04 C ATOM 250 NZ LYS A 17 -1.308 -11.323 3.393 1.00 2.67 N ATOM 251 H LYS A 17 1.266 -7.122 -1.315 1.00 0.27 H ATOM 252 HA LYS A 17 0.399 -8.973 -2.295 1.00 0.40 H ATOM 253 HB2 LYS A 17 -1.389 -9.024 0.141 1.00 0.83 H ATOM 254 HB3 LYS A 17 -1.144 -10.361 -0.974 1.00 0.81 H ATOM 255 HG2 LYS A 17 1.222 -10.439 -0.360 1.00 1.38 H ATOM 256 HG3 LYS A 17 0.968 -9.108 0.770 1.00 1.42 H ATOM 257 HD2 LYS A 17 -0.401 -11.793 0.902 1.00 1.78 H ATOM 258 HD3 LYS A 17 0.983 -11.309 1.882 1.00 1.80 H ATOM 259 HE2 LYS A 17 -0.326 -9.533 2.895 1.00 2.51 H ATOM 260 HE3 LYS A 17 -1.701 -9.932 1.867 1.00 2.53 H ATOM 261 HZ1 LYS A 17 -1.755 -12.094 2.937 1.00 3.04 H ATOM 262 HZ2 LYS A 17 -1.962 -10.898 4.015 1.00 3.03 H ATOM 263 HZ3 LYS A 17 -0.534 -11.664 3.926 1.00 3.03 H ATOM 264 N GLY A 18 -1.557 -6.893 -2.945 1.00 0.21 N ATOM 265 CA GLY A 18 -2.665 -6.436 -3.757 1.00 0.25 C ATOM 266 C GLY A 18 -3.729 -5.700 -2.962 1.00 0.26 C ATOM 267 O GLY A 18 -4.791 -5.381 -3.495 1.00 0.51 O ATOM 268 H GLY A 18 -0.792 -6.300 -2.778 1.00 0.23 H ATOM 269 HA2 GLY A 18 -2.284 -5.774 -4.520 1.00 0.29 H ATOM 270 HA3 GLY A 18 -3.119 -7.291 -4.235 1.00 0.28 H ATOM 271 N ARG A 19 -3.459 -5.423 -1.694 1.00 0.12 N ATOM 272 CA ARG A 19 -4.408 -4.695 -0.868 1.00 0.16 C ATOM 273 C ARG A 19 -3.759 -3.408 -0.385 1.00 0.12 C ATOM 274 O ARG A 19 -2.551 -3.366 -0.168 1.00 0.18 O ATOM 275 CB ARG A 19 -4.870 -5.557 0.311 1.00 0.28 C ATOM 276 CG ARG A 19 -4.058 -5.368 1.579 1.00 0.68 C ATOM 277 CD ARG A 19 -4.964 -5.084 2.760 1.00 0.94 C ATOM 278 NE ARG A 19 -5.911 -4.006 2.468 1.00 1.06 N ATOM 279 CZ ARG A 19 -6.722 -3.462 3.375 1.00 1.47 C ATOM 280 NH1 ARG A 19 -6.677 -3.863 4.642 1.00 1.66 N ATOM 281 NH2 ARG A 19 -7.573 -2.513 3.015 1.00 1.91 N ATOM 282 H ARG A 19 -2.600 -5.707 -1.302 1.00 0.20 H ATOM 283 HA ARG A 19 -5.265 -4.443 -1.472 1.00 0.22 H ATOM 284 HB2 ARG A 19 -5.897 -5.322 0.527 1.00 0.79 H ATOM 285 HB3 ARG A 19 -4.805 -6.597 0.022 1.00 0.80 H ATOM 286 HG2 ARG A 19 -3.494 -6.267 1.775 1.00 1.15 H ATOM 287 HG3 ARG A 19 -3.383 -4.536 1.444 1.00 1.10 H ATOM 288 HD2 ARG A 19 -5.516 -5.981 3.000 1.00 1.23 H ATOM 289 HD3 ARG A 19 -4.356 -4.797 3.604 1.00 1.42 H ATOM 290 HE ARG A 19 -5.954 -3.682 1.532 1.00 1.10 H ATOM 291 HH11 ARG A 19 -6.032 -4.579 4.924 1.00 1.58 H ATOM 292 HH12 ARG A 19 -7.292 -3.456 5.322 1.00 2.02 H ATOM 293 HH21 ARG A 19 -7.608 -2.200 2.060 1.00 1.98 H ATOM 294 HH22 ARG A 19 -8.192 -2.109 3.691 1.00 2.27 H ATOM 295 N CYS A 20 -4.536 -2.347 -0.257 1.00 0.12 N ATOM 296 CA CYS A 20 -3.982 -1.082 0.183 1.00 0.13 C ATOM 297 C CYS A 20 -4.135 -0.924 1.694 1.00 0.13 C ATOM 298 O CYS A 20 -5.221 -0.675 2.214 1.00 0.22 O ATOM 299 CB CYS A 20 -4.595 0.087 -0.591 1.00 0.24 C ATOM 300 SG CYS A 20 -6.362 0.406 -0.288 1.00 1.00 S ATOM 301 H CYS A 20 -5.495 -2.414 -0.467 1.00 0.17 H ATOM 302 HA CYS A 20 -2.923 -1.114 -0.037 1.00 0.16 H ATOM 303 HB2 CYS A 20 -4.058 0.982 -0.345 1.00 0.96 H ATOM 304 HB3 CYS A 20 -4.479 -0.103 -1.647 1.00 0.83 H ATOM 305 N ARG A 21 -3.021 -1.083 2.385 1.00 0.11 N ATOM 306 CA ARG A 21 -2.997 -1.125 3.842 1.00 0.15 C ATOM 307 C ARG A 21 -2.609 0.235 4.406 1.00 0.11 C ATOM 308 O ARG A 21 -1.816 0.948 3.803 1.00 0.15 O ATOM 309 CB ARG A 21 -1.986 -2.177 4.292 1.00 0.25 C ATOM 310 CG ARG A 21 -2.014 -2.466 5.783 1.00 0.75 C ATOM 311 CD ARG A 21 -0.860 -3.366 6.189 1.00 0.82 C ATOM 312 NE ARG A 21 0.436 -2.764 5.871 1.00 0.79 N ATOM 313 CZ ARG A 21 1.574 -3.453 5.785 1.00 1.18 C ATOM 314 NH1 ARG A 21 1.578 -4.764 5.989 1.00 1.84 N ATOM 315 NH2 ARG A 21 2.710 -2.829 5.502 1.00 1.28 N ATOM 316 H ARG A 21 -2.171 -1.164 1.894 1.00 0.13 H ATOM 317 HA ARG A 21 -3.979 -1.396 4.193 1.00 0.22 H ATOM 318 HB2 ARG A 21 -2.180 -3.098 3.759 1.00 0.70 H ATOM 319 HB3 ARG A 21 -0.994 -1.832 4.036 1.00 0.73 H ATOM 320 HG2 ARG A 21 -1.939 -1.534 6.325 1.00 1.35 H ATOM 321 HG3 ARG A 21 -2.944 -2.955 6.030 1.00 1.24 H ATOM 322 HD2 ARG A 21 -0.913 -3.542 7.253 1.00 1.08 H ATOM 323 HD3 ARG A 21 -0.950 -4.306 5.663 1.00 1.18 H ATOM 324 HE ARG A 21 0.458 -1.793 5.718 1.00 0.97 H ATOM 325 HH11 ARG A 21 0.724 -5.247 6.210 1.00 1.95 H ATOM 326 HH12 ARG A 21 2.435 -5.278 5.934 1.00 2.35 H ATOM 327 HH21 ARG A 21 2.721 -1.837 5.357 1.00 1.21 H ATOM 328 HH22 ARG A 21 3.567 -3.347 5.434 1.00 1.69 H ATOM 329 N ILE A 22 -3.169 0.578 5.562 1.00 0.14 N ATOM 330 CA ILE A 22 -2.907 1.869 6.203 1.00 0.16 C ATOM 331 C ILE A 22 -1.425 2.049 6.521 1.00 0.17 C ATOM 332 O ILE A 22 -0.904 1.426 7.453 1.00 0.31 O ATOM 333 CB ILE A 22 -3.704 2.017 7.516 1.00 0.28 C ATOM 334 CG1 ILE A 22 -5.207 1.880 7.259 1.00 0.39 C ATOM 335 CG2 ILE A 22 -3.401 3.355 8.182 1.00 0.33 C ATOM 336 CD1 ILE A 22 -5.773 2.946 6.347 1.00 1.22 C ATOM 337 H ILE A 22 -3.775 -0.055 6.003 1.00 0.20 H ATOM 338 HA ILE A 22 -3.219 2.648 5.526 1.00 0.18 H ATOM 339 HB ILE A 22 -3.384 1.233 8.186 1.00 0.32 H ATOM 340 HG12 ILE A 22 -5.398 0.922 6.802 1.00 1.13 H ATOM 341 HG13 ILE A 22 -5.732 1.934 8.201 1.00 1.18 H ATOM 342 HG21 ILE A 22 -2.344 3.419 8.394 1.00 1.07 H ATOM 343 HG22 ILE A 22 -3.959 3.433 9.103 1.00 1.08 H ATOM 344 HG23 ILE A 22 -3.685 4.159 7.519 1.00 1.08 H ATOM 345 HD11 ILE A 22 -5.575 3.921 6.764 1.00 1.81 H ATOM 346 HD12 ILE A 22 -6.840 2.807 6.250 1.00 1.85 H ATOM 347 HD13 ILE A 22 -5.312 2.870 5.374 1.00 1.82 H ATOM 348 N ALA A 23 -0.765 2.901 5.746 1.00 0.17 N ATOM 349 CA ALA A 23 0.632 3.236 5.963 1.00 0.23 C ATOM 350 C ALA A 23 1.070 4.321 4.984 1.00 0.40 C ATOM 351 O ALA A 23 0.681 5.490 5.174 1.00 0.64 O ATOM 352 CB ALA A 23 1.500 1.995 5.820 1.00 0.35 C ATOM 353 OXT ALA A 23 1.798 4.004 4.029 1.00 1.33 O ATOM 354 H ALA A 23 -1.236 3.321 4.994 1.00 0.25 H ATOM 355 HA ALA A 23 0.735 3.608 6.972 1.00 0.28 H ATOM 356 HB1 ALA A 23 1.473 1.653 4.796 1.00 1.12 H ATOM 357 HB2 ALA A 23 1.116 1.218 6.467 1.00 1.08 H ATOM 358 HB3 ALA A 23 2.516 2.228 6.098 1.00 1.09 H TER 359 ALA A 23 ENDMDL MODEL 3 ATOM 1 N THR A 1 16.181 1.212 2.165 1.00 4.74 N ATOM 2 CA THR A 1 16.115 0.047 3.069 1.00 4.28 C ATOM 3 C THR A 1 14.752 -0.632 2.979 1.00 3.85 C ATOM 4 O THR A 1 14.656 -1.827 2.689 1.00 4.08 O ATOM 5 CB THR A 1 16.374 0.474 4.524 1.00 4.65 C ATOM 6 OG1 THR A 1 17.533 1.315 4.582 1.00 5.17 O ATOM 7 CG2 THR A 1 16.581 -0.741 5.415 1.00 4.88 C ATOM 8 H1 THR A 1 17.076 1.651 2.240 1.00 4.93 H ATOM 9 H2 THR A 1 15.479 1.877 2.406 1.00 4.98 H ATOM 10 H3 THR A 1 16.038 0.924 1.219 1.00 5.05 H ATOM 11 HA THR A 1 16.877 -0.659 2.776 1.00 4.46 H ATOM 12 HB THR A 1 15.517 1.025 4.884 1.00 4.91 H ATOM 13 HG1 THR A 1 17.558 1.764 5.437 1.00 5.46 H ATOM 14 HG21 THR A 1 17.446 -1.291 5.077 1.00 5.08 H ATOM 15 HG22 THR A 1 15.707 -1.376 5.365 1.00 5.10 H ATOM 16 HG23 THR A 1 16.735 -0.419 6.433 1.00 5.13 H ATOM 17 N ILE A 2 13.702 0.135 3.232 1.00 3.53 N ATOM 18 CA ILE A 2 12.344 -0.373 3.151 1.00 3.22 C ATOM 19 C ILE A 2 11.711 0.052 1.835 1.00 2.69 C ATOM 20 O ILE A 2 11.692 1.237 1.500 1.00 2.69 O ATOM 21 CB ILE A 2 11.479 0.141 4.326 1.00 3.57 C ATOM 22 CG1 ILE A 2 12.098 -0.266 5.668 1.00 3.97 C ATOM 23 CG2 ILE A 2 10.049 -0.378 4.218 1.00 3.95 C ATOM 24 CD1 ILE A 2 12.239 -1.762 5.849 1.00 4.45 C ATOM 25 H ILE A 2 13.841 1.074 3.479 1.00 3.73 H ATOM 26 HA ILE A 2 12.383 -1.450 3.195 1.00 3.33 H ATOM 27 HB ILE A 2 11.447 1.219 4.270 1.00 3.84 H ATOM 28 HG12 ILE A 2 13.084 0.168 5.746 1.00 4.24 H ATOM 29 HG13 ILE A 2 11.481 0.108 6.470 1.00 4.21 H ATOM 30 HG21 ILE A 2 9.463 0.013 5.037 1.00 4.15 H ATOM 31 HG22 ILE A 2 10.054 -1.456 4.260 1.00 4.32 H ATOM 32 HG23 ILE A 2 9.619 -0.056 3.281 1.00 4.23 H ATOM 33 HD11 ILE A 2 11.267 -2.226 5.766 1.00 4.75 H ATOM 34 HD12 ILE A 2 12.654 -1.970 6.823 1.00 4.72 H ATOM 35 HD13 ILE A 2 12.892 -2.158 5.087 1.00 4.70 H ATOM 36 N ILE A 3 11.207 -0.914 1.088 1.00 2.42 N ATOM 37 CA ILE A 3 10.565 -0.630 -0.181 1.00 1.99 C ATOM 38 C ILE A 3 9.083 -0.380 0.045 1.00 1.72 C ATOM 39 O ILE A 3 8.291 -1.315 0.186 1.00 1.80 O ATOM 40 CB ILE A 3 10.736 -1.787 -1.178 1.00 2.08 C ATOM 41 CG1 ILE A 3 12.203 -2.228 -1.239 1.00 2.47 C ATOM 42 CG2 ILE A 3 10.241 -1.374 -2.561 1.00 1.90 C ATOM 43 CD1 ILE A 3 12.439 -3.451 -2.100 1.00 2.90 C ATOM 44 H ILE A 3 11.268 -1.843 1.398 1.00 2.62 H ATOM 45 HA ILE A 3 11.017 0.258 -0.599 1.00 2.04 H ATOM 46 HB ILE A 3 10.129 -2.606 -0.837 1.00 2.20 H ATOM 47 HG12 ILE A 3 12.799 -1.422 -1.641 1.00 2.70 H ATOM 48 HG13 ILE A 3 12.544 -2.456 -0.239 1.00 2.77 H ATOM 49 HG21 ILE A 3 10.373 -2.195 -3.250 1.00 2.14 H ATOM 50 HG22 ILE A 3 10.807 -0.521 -2.905 1.00 2.12 H ATOM 51 HG23 ILE A 3 9.195 -1.114 -2.505 1.00 2.18 H ATOM 52 HD11 ILE A 3 11.867 -4.281 -1.712 1.00 3.27 H ATOM 53 HD12 ILE A 3 13.489 -3.702 -2.089 1.00 3.27 H ATOM 54 HD13 ILE A 3 12.128 -3.243 -3.113 1.00 3.15 H ATOM 55 N ASN A 4 8.727 0.885 0.105 1.00 1.59 N ATOM 56 CA ASN A 4 7.352 1.284 0.350 1.00 1.47 C ATOM 57 C ASN A 4 6.663 1.615 -0.965 1.00 1.08 C ATOM 58 O ASN A 4 6.811 2.717 -1.504 1.00 1.14 O ATOM 59 CB ASN A 4 7.310 2.489 1.293 1.00 1.84 C ATOM 60 CG ASN A 4 5.899 2.867 1.698 1.00 1.94 C ATOM 61 OD1 ASN A 4 5.350 2.320 2.653 1.00 2.63 O ATOM 62 ND2 ASN A 4 5.311 3.823 0.993 1.00 2.01 N ATOM 63 H ASN A 4 9.410 1.572 -0.028 1.00 1.72 H ATOM 64 HA ASN A 4 6.842 0.453 0.813 1.00 1.58 H ATOM 65 HB2 ASN A 4 7.871 2.258 2.187 1.00 2.23 H ATOM 66 HB3 ASN A 4 7.762 3.334 0.799 1.00 2.18 H ATOM 67 HD21 ASN A 4 5.815 4.230 0.255 1.00 2.26 H ATOM 68 HD22 ASN A 4 4.397 4.086 1.238 1.00 2.28 H ATOM 69 N ALA A 5 5.906 0.656 -1.470 1.00 0.89 N ATOM 70 CA ALA A 5 5.252 0.791 -2.760 1.00 0.65 C ATOM 71 C ALA A 5 3.805 1.234 -2.595 1.00 0.56 C ATOM 72 O ALA A 5 3.063 0.680 -1.777 1.00 0.60 O ATOM 73 CB ALA A 5 5.322 -0.524 -3.523 1.00 0.80 C ATOM 74 H ALA A 5 5.774 -0.169 -0.956 1.00 1.05 H ATOM 75 HA ALA A 5 5.786 1.537 -3.328 1.00 0.71 H ATOM 76 HB1 ALA A 5 4.875 -0.398 -4.497 1.00 1.35 H ATOM 77 HB2 ALA A 5 4.784 -1.286 -2.977 1.00 1.32 H ATOM 78 HB3 ALA A 5 6.353 -0.821 -3.635 1.00 1.34 H ATOM 79 N PRO A 6 3.386 2.248 -3.364 1.00 0.64 N ATOM 80 CA PRO A 6 2.018 2.751 -3.328 1.00 0.70 C ATOM 81 C PRO A 6 1.070 1.880 -4.143 1.00 0.57 C ATOM 82 O PRO A 6 1.478 1.213 -5.095 1.00 0.65 O ATOM 83 CB PRO A 6 2.148 4.139 -3.949 1.00 0.95 C ATOM 84 CG PRO A 6 3.284 4.021 -4.907 1.00 1.21 C ATOM 85 CD PRO A 6 4.217 2.979 -4.342 1.00 0.87 C ATOM 86 HA PRO A 6 1.651 2.836 -2.314 1.00 0.78 H ATOM 87 HB2 PRO A 6 1.229 4.397 -4.454 1.00 1.00 H ATOM 88 HB3 PRO A 6 2.358 4.865 -3.177 1.00 1.12 H ATOM 89 HG2 PRO A 6 2.915 3.707 -5.872 1.00 1.50 H ATOM 90 HG3 PRO A 6 3.791 4.970 -4.991 1.00 1.58 H ATOM 91 HD2 PRO A 6 4.560 2.318 -5.124 1.00 0.93 H ATOM 92 HD3 PRO A 6 5.057 3.451 -3.854 1.00 0.93 H ATOM 93 N ASN A 7 -0.194 1.886 -3.763 1.00 0.50 N ATOM 94 CA ASN A 7 -1.201 1.088 -4.442 1.00 0.42 C ATOM 95 C ASN A 7 -2.040 2.002 -5.330 1.00 0.48 C ATOM 96 O ASN A 7 -1.663 3.149 -5.568 1.00 0.56 O ATOM 97 CB ASN A 7 -2.092 0.400 -3.399 1.00 0.30 C ATOM 98 CG ASN A 7 -2.753 -0.873 -3.900 1.00 0.38 C ATOM 99 OD1 ASN A 7 -3.014 -1.038 -5.091 1.00 0.74 O ATOM 100 ND2 ASN A 7 -3.022 -1.785 -2.985 1.00 0.19 N ATOM 101 H ASN A 7 -0.465 2.458 -3.013 1.00 0.58 H ATOM 102 HA ASN A 7 -0.705 0.345 -5.048 1.00 0.49 H ATOM 103 HB2 ASN A 7 -1.495 0.152 -2.534 1.00 0.29 H ATOM 104 HB3 ASN A 7 -2.871 1.088 -3.099 1.00 0.33 H ATOM 105 HD21 ASN A 7 -2.778 -1.593 -2.054 1.00 0.27 H ATOM 106 HD22 ASN A 7 -3.470 -2.616 -3.271 1.00 0.26 H ATOM 107 N ARG A 8 -3.164 1.501 -5.824 1.00 0.51 N ATOM 108 CA ARG A 8 -4.159 2.361 -6.447 1.00 0.62 C ATOM 109 C ARG A 8 -4.648 3.351 -5.400 1.00 0.51 C ATOM 110 O ARG A 8 -5.016 4.485 -5.700 1.00 0.57 O ATOM 111 CB ARG A 8 -5.324 1.529 -6.984 1.00 0.75 C ATOM 112 CG ARG A 8 -4.930 0.564 -8.090 1.00 1.16 C ATOM 113 CD ARG A 8 -4.477 1.303 -9.336 1.00 1.75 C ATOM 114 NE ARG A 8 -4.101 0.395 -10.417 1.00 2.48 N ATOM 115 CZ ARG A 8 -4.357 0.625 -11.705 1.00 3.42 C ATOM 116 NH1 ARG A 8 -5.070 1.687 -12.068 1.00 3.83 N ATOM 117 NH2 ARG A 8 -3.914 -0.220 -12.630 1.00 4.36 N ATOM 118 H ARG A 8 -3.324 0.532 -5.772 1.00 0.50 H ATOM 119 HA ARG A 8 -3.689 2.898 -7.255 1.00 0.73 H ATOM 120 HB2 ARG A 8 -5.746 0.957 -6.172 1.00 0.92 H ATOM 121 HB3 ARG A 8 -6.079 2.197 -7.372 1.00 1.07 H ATOM 122 HG2 ARG A 8 -4.122 -0.060 -7.740 1.00 1.64 H ATOM 123 HG3 ARG A 8 -5.782 -0.051 -8.337 1.00 1.67 H ATOM 124 HD2 ARG A 8 -5.284 1.932 -9.674 1.00 2.27 H ATOM 125 HD3 ARG A 8 -3.626 1.917 -9.084 1.00 2.17 H ATOM 126 HE ARG A 8 -3.605 -0.418 -10.168 1.00 2.70 H ATOM 127 HH11 ARG A 8 -5.423 2.321 -11.375 1.00 3.58 H ATOM 128 HH12 ARG A 8 -5.253 1.864 -13.040 1.00 4.66 H ATOM 129 HH21 ARG A 8 -3.388 -1.033 -12.363 1.00 4.53 H ATOM 130 HH22 ARG A 8 -4.091 -0.042 -13.603 1.00 5.09 H ATOM 131 N CYS A 9 -4.633 2.883 -4.162 1.00 0.38 N ATOM 132 CA CYS A 9 -4.866 3.717 -3.001 1.00 0.29 C ATOM 133 C CYS A 9 -3.627 4.573 -2.743 1.00 0.22 C ATOM 134 O CYS A 9 -2.515 4.047 -2.652 1.00 0.30 O ATOM 135 CB CYS A 9 -5.155 2.810 -1.805 1.00 0.31 C ATOM 136 SG CYS A 9 -6.482 1.601 -2.116 1.00 0.45 S ATOM 137 H CYS A 9 -4.451 1.933 -4.024 1.00 0.38 H ATOM 138 HA CYS A 9 -5.718 4.351 -3.194 1.00 0.32 H ATOM 139 HB2 CYS A 9 -4.260 2.259 -1.562 1.00 0.28 H ATOM 140 HB3 CYS A 9 -5.445 3.408 -0.955 1.00 0.31 H ATOM 141 N PRO A 10 -3.798 5.900 -2.653 1.00 0.21 N ATOM 142 CA PRO A 10 -2.681 6.841 -2.489 1.00 0.27 C ATOM 143 C PRO A 10 -2.086 6.808 -1.079 1.00 0.19 C ATOM 144 O PRO A 10 -2.604 6.096 -0.212 1.00 0.15 O ATOM 145 CB PRO A 10 -3.336 8.198 -2.771 1.00 0.39 C ATOM 146 CG PRO A 10 -4.760 8.018 -2.382 1.00 0.38 C ATOM 147 CD PRO A 10 -5.102 6.590 -2.700 1.00 0.28 C ATOM 148 HA PRO A 10 -1.901 6.657 -3.211 1.00 0.37 H ATOM 149 HB2 PRO A 10 -2.857 8.963 -2.177 1.00 0.46 H ATOM 150 HB3 PRO A 10 -3.240 8.435 -3.819 1.00 0.49 H ATOM 151 HG2 PRO A 10 -4.880 8.207 -1.326 1.00 0.41 H ATOM 152 HG3 PRO A 10 -5.384 8.688 -2.956 1.00 0.47 H ATOM 153 HD2 PRO A 10 -5.776 6.190 -1.958 1.00 0.33 H ATOM 154 HD3 PRO A 10 -5.538 6.517 -3.685 1.00 0.32 H ATOM 155 N PRO A 11 -0.979 7.561 -0.842 1.00 0.22 N ATOM 156 CA PRO A 11 -0.368 7.718 0.482 1.00 0.21 C ATOM 157 C PRO A 11 -1.397 7.708 1.607 1.00 0.17 C ATOM 158 O PRO A 11 -2.396 8.431 1.564 1.00 0.24 O ATOM 159 CB PRO A 11 0.304 9.080 0.365 1.00 0.29 C ATOM 160 CG PRO A 11 0.742 9.157 -1.059 1.00 0.35 C ATOM 161 CD PRO A 11 -0.215 8.305 -1.862 1.00 0.33 C ATOM 162 HA PRO A 11 0.378 6.959 0.668 1.00 0.25 H ATOM 163 HB2 PRO A 11 -0.407 9.857 0.605 1.00 0.31 H ATOM 164 HB3 PRO A 11 1.145 9.129 1.040 1.00 0.35 H ATOM 165 HG2 PRO A 11 0.702 10.180 -1.398 1.00 0.42 H ATOM 166 HG3 PRO A 11 1.748 8.772 -1.150 1.00 0.45 H ATOM 167 HD2 PRO A 11 -0.869 8.928 -2.450 1.00 0.40 H ATOM 168 HD3 PRO A 11 0.332 7.627 -2.500 1.00 0.44 H ATOM 169 N GLY A 12 -1.145 6.888 2.609 1.00 0.16 N ATOM 170 CA GLY A 12 -2.159 6.579 3.583 1.00 0.17 C ATOM 171 C GLY A 12 -2.477 5.107 3.527 1.00 0.11 C ATOM 172 O GLY A 12 -2.891 4.506 4.519 1.00 0.14 O ATOM 173 H GLY A 12 -0.250 6.485 2.698 1.00 0.21 H ATOM 174 HA2 GLY A 12 -1.799 6.834 4.570 1.00 0.23 H ATOM 175 HA3 GLY A 12 -3.052 7.145 3.366 1.00 0.20 H ATOM 176 N HIS A 13 -2.279 4.527 2.347 1.00 0.12 N ATOM 177 CA HIS A 13 -2.371 3.087 2.161 1.00 0.13 C ATOM 178 C HIS A 13 -1.350 2.627 1.125 1.00 0.18 C ATOM 179 O HIS A 13 -1.241 3.205 0.045 1.00 0.36 O ATOM 180 CB HIS A 13 -3.767 2.649 1.715 1.00 0.20 C ATOM 181 CG HIS A 13 -4.874 3.045 2.645 1.00 0.28 C ATOM 182 ND1 HIS A 13 -5.662 4.155 2.448 1.00 0.44 N ATOM 183 CD2 HIS A 13 -5.319 2.472 3.787 1.00 0.41 C ATOM 184 CE1 HIS A 13 -6.540 4.249 3.425 1.00 0.49 C ATOM 185 NE2 HIS A 13 -6.355 3.240 4.252 1.00 0.47 N ATOM 186 H HIS A 13 -2.055 5.090 1.573 1.00 0.16 H ATOM 187 HA HIS A 13 -2.139 2.618 3.107 1.00 0.13 H ATOM 188 HB2 HIS A 13 -3.974 3.071 0.749 1.00 0.25 H ATOM 189 HB3 HIS A 13 -3.776 1.568 1.636 1.00 0.22 H ATOM 190 HD1 HIS A 13 -5.595 4.784 1.692 1.00 0.58 H ATOM 191 HD2 HIS A 13 -4.932 1.572 4.244 1.00 0.56 H ATOM 192 HE1 HIS A 13 -7.283 5.025 3.534 1.00 0.63 H ATOM 193 HE2 HIS A 13 -6.759 3.167 5.145 1.00 0.61 H ATOM 194 N VAL A 14 -0.617 1.584 1.464 1.00 0.11 N ATOM 195 CA VAL A 14 0.404 1.031 0.583 1.00 0.13 C ATOM 196 C VAL A 14 -0.043 -0.319 0.046 1.00 0.11 C ATOM 197 O VAL A 14 -0.964 -0.927 0.583 1.00 0.15 O ATOM 198 CB VAL A 14 1.748 0.870 1.324 1.00 0.19 C ATOM 199 CG1 VAL A 14 2.219 2.211 1.854 1.00 0.26 C ATOM 200 CG2 VAL A 14 1.627 -0.139 2.457 1.00 0.23 C ATOM 201 H VAL A 14 -0.770 1.167 2.339 1.00 0.16 H ATOM 202 HA VAL A 14 0.543 1.711 -0.243 1.00 0.16 H ATOM 203 HB VAL A 14 2.483 0.506 0.620 1.00 0.23 H ATOM 204 HG11 VAL A 14 3.150 2.082 2.386 1.00 1.02 H ATOM 205 HG12 VAL A 14 1.472 2.615 2.526 1.00 1.05 H ATOM 206 HG13 VAL A 14 2.368 2.892 1.029 1.00 1.07 H ATOM 207 HG21 VAL A 14 0.872 0.191 3.154 1.00 1.05 H ATOM 208 HG22 VAL A 14 2.576 -0.222 2.967 1.00 1.05 H ATOM 209 HG23 VAL A 14 1.350 -1.102 2.054 1.00 1.04 H ATOM 210 N VAL A 15 0.598 -0.791 -1.012 1.00 0.16 N ATOM 211 CA VAL A 15 0.187 -2.041 -1.620 1.00 0.17 C ATOM 212 C VAL A 15 0.837 -3.242 -0.939 1.00 0.18 C ATOM 213 O VAL A 15 2.061 -3.389 -0.913 1.00 0.28 O ATOM 214 CB VAL A 15 0.461 -2.079 -3.141 1.00 0.24 C ATOM 215 CG1 VAL A 15 1.934 -1.876 -3.456 1.00 0.42 C ATOM 216 CG2 VAL A 15 -0.045 -3.387 -3.732 1.00 0.37 C ATOM 217 H VAL A 15 1.361 -0.294 -1.384 1.00 0.23 H ATOM 218 HA VAL A 15 -0.881 -2.121 -1.481 1.00 0.14 H ATOM 219 HB VAL A 15 -0.089 -1.270 -3.597 1.00 0.42 H ATOM 220 HG11 VAL A 15 2.513 -2.662 -2.993 1.00 1.13 H ATOM 221 HG12 VAL A 15 2.256 -0.919 -3.071 1.00 1.12 H ATOM 222 HG13 VAL A 15 2.082 -1.902 -4.524 1.00 1.12 H ATOM 223 HG21 VAL A 15 0.535 -4.208 -3.335 1.00 1.12 H ATOM 224 HG22 VAL A 15 0.054 -3.361 -4.805 1.00 1.10 H ATOM 225 HG23 VAL A 15 -1.086 -3.525 -3.468 1.00 1.09 H ATOM 226 N VAL A 16 -0.007 -4.071 -0.354 1.00 0.14 N ATOM 227 CA VAL A 16 0.402 -5.350 0.180 1.00 0.18 C ATOM 228 C VAL A 16 -0.451 -6.458 -0.439 1.00 0.14 C ATOM 229 O VAL A 16 -1.631 -6.607 -0.117 1.00 0.21 O ATOM 230 CB VAL A 16 0.305 -5.369 1.723 1.00 0.29 C ATOM 231 CG1 VAL A 16 -1.084 -4.966 2.201 1.00 0.51 C ATOM 232 CG2 VAL A 16 0.693 -6.734 2.272 1.00 0.55 C ATOM 233 H VAL A 16 -0.949 -3.804 -0.261 1.00 0.14 H ATOM 234 HA VAL A 16 1.435 -5.508 -0.097 1.00 0.24 H ATOM 235 HB VAL A 16 1.005 -4.643 2.105 1.00 0.50 H ATOM 236 HG11 VAL A 16 -1.820 -5.625 1.765 1.00 1.17 H ATOM 237 HG12 VAL A 16 -1.291 -3.947 1.900 1.00 1.17 H ATOM 238 HG13 VAL A 16 -1.129 -5.039 3.277 1.00 1.19 H ATOM 239 HG21 VAL A 16 0.036 -7.487 1.862 1.00 1.20 H ATOM 240 HG22 VAL A 16 0.606 -6.728 3.348 1.00 1.18 H ATOM 241 HG23 VAL A 16 1.713 -6.957 1.995 1.00 1.21 H ATOM 242 N LYS A 17 0.139 -7.191 -1.379 1.00 0.20 N ATOM 243 CA LYS A 17 -0.552 -8.275 -2.081 1.00 0.30 C ATOM 244 C LYS A 17 -1.742 -7.741 -2.877 1.00 0.25 C ATOM 245 O LYS A 17 -2.691 -8.471 -3.156 1.00 0.33 O ATOM 246 CB LYS A 17 -1.033 -9.342 -1.091 1.00 0.44 C ATOM 247 CG LYS A 17 0.077 -9.953 -0.250 1.00 0.92 C ATOM 248 CD LYS A 17 -0.477 -10.903 0.803 1.00 1.34 C ATOM 249 CE LYS A 17 -1.322 -10.168 1.835 1.00 2.04 C ATOM 250 NZ LYS A 17 -1.924 -11.096 2.828 1.00 2.67 N ATOM 251 H LYS A 17 1.076 -7.001 -1.609 1.00 0.27 H ATOM 252 HA LYS A 17 0.150 -8.724 -2.766 1.00 0.40 H ATOM 253 HB2 LYS A 17 -1.752 -8.894 -0.424 1.00 0.83 H ATOM 254 HB3 LYS A 17 -1.515 -10.136 -1.642 1.00 0.81 H ATOM 255 HG2 LYS A 17 0.746 -10.500 -0.898 1.00 1.38 H ATOM 256 HG3 LYS A 17 0.619 -9.160 0.243 1.00 1.42 H ATOM 257 HD2 LYS A 17 -1.091 -11.646 0.315 1.00 1.78 H ATOM 258 HD3 LYS A 17 0.347 -11.389 1.304 1.00 1.80 H ATOM 259 HE2 LYS A 17 -0.695 -9.459 2.355 1.00 2.51 H ATOM 260 HE3 LYS A 17 -2.113 -9.639 1.325 1.00 2.53 H ATOM 261 HZ1 LYS A 17 -2.520 -11.754 2.366 1.00 3.04 H ATOM 262 HZ2 LYS A 17 -2.465 -10.585 3.494 1.00 3.03 H ATOM 263 HZ3 LYS A 17 -1.206 -11.595 3.314 1.00 3.03 H ATOM 264 N GLY A 18 -1.688 -6.464 -3.233 1.00 0.21 N ATOM 265 CA GLY A 18 -2.782 -5.848 -3.960 1.00 0.25 C ATOM 266 C GLY A 18 -3.683 -5.033 -3.052 1.00 0.26 C ATOM 267 O GLY A 18 -4.412 -4.154 -3.514 1.00 0.51 O ATOM 268 H GLY A 18 -0.897 -5.936 -3.003 1.00 0.23 H ATOM 269 HA2 GLY A 18 -2.376 -5.201 -4.725 1.00 0.29 H ATOM 270 HA3 GLY A 18 -3.370 -6.622 -4.431 1.00 0.28 H ATOM 271 N ARG A 19 -3.611 -5.312 -1.759 1.00 0.12 N ATOM 272 CA ARG A 19 -4.425 -4.626 -0.763 1.00 0.16 C ATOM 273 C ARG A 19 -3.776 -3.311 -0.360 1.00 0.12 C ATOM 274 O ARG A 19 -2.556 -3.175 -0.416 1.00 0.18 O ATOM 275 CB ARG A 19 -4.585 -5.514 0.470 1.00 0.28 C ATOM 276 CG ARG A 19 -6.016 -5.925 0.770 1.00 0.68 C ATOM 277 CD ARG A 19 -6.844 -4.771 1.327 1.00 0.94 C ATOM 278 NE ARG A 19 -7.327 -3.863 0.283 1.00 1.06 N ATOM 279 CZ ARG A 19 -7.854 -2.660 0.521 1.00 1.47 C ATOM 280 NH1 ARG A 19 -7.885 -2.171 1.756 1.00 1.66 N ATOM 281 NH2 ARG A 19 -8.335 -1.939 -0.483 1.00 1.91 N ATOM 282 H ARG A 19 -2.981 -6.000 -1.459 1.00 0.20 H ATOM 283 HA ARG A 19 -5.393 -4.428 -1.193 1.00 0.22 H ATOM 284 HB2 ARG A 19 -4.002 -6.412 0.325 1.00 0.79 H ATOM 285 HB3 ARG A 19 -4.198 -4.984 1.330 1.00 0.80 H ATOM 286 HG2 ARG A 19 -6.471 -6.270 -0.145 1.00 1.15 H ATOM 287 HG3 ARG A 19 -6.003 -6.728 1.491 1.00 1.10 H ATOM 288 HD2 ARG A 19 -7.694 -5.179 1.851 1.00 1.23 H ATOM 289 HD3 ARG A 19 -6.232 -4.210 2.021 1.00 1.42 H ATOM 290 HE ARG A 19 -7.289 -4.187 -0.648 1.00 1.10 H ATOM 291 HH11 ARG A 19 -7.509 -2.702 2.525 1.00 1.58 H ATOM 292 HH12 ARG A 19 -8.291 -1.269 1.931 1.00 2.02 H ATOM 293 HH21 ARG A 19 -8.299 -2.297 -1.421 1.00 1.98 H ATOM 294 HH22 ARG A 19 -8.747 -1.041 -0.310 1.00 2.27 H ATOM 295 N CYS A 20 -4.584 -2.342 0.034 1.00 0.12 N ATOM 296 CA CYS A 20 -4.055 -1.067 0.474 1.00 0.13 C ATOM 297 C CYS A 20 -3.975 -1.025 1.997 1.00 0.13 C ATOM 298 O CYS A 20 -4.964 -0.772 2.683 1.00 0.22 O ATOM 299 CB CYS A 20 -4.911 0.082 -0.041 1.00 0.24 C ATOM 300 SG CYS A 20 -5.613 -0.183 -1.700 1.00 1.00 S ATOM 301 H CYS A 20 -5.554 -2.484 0.029 1.00 0.17 H ATOM 302 HA CYS A 20 -3.057 -0.969 0.072 1.00 0.16 H ATOM 303 HB2 CYS A 20 -5.722 0.256 0.642 1.00 0.96 H ATOM 304 HB3 CYS A 20 -4.299 0.967 -0.090 1.00 0.83 H ATOM 305 N ARG A 21 -2.783 -1.270 2.501 1.00 0.11 N ATOM 306 CA ARG A 21 -2.527 -1.338 3.934 1.00 0.15 C ATOM 307 C ARG A 21 -2.368 0.065 4.494 1.00 0.11 C ATOM 308 O ARG A 21 -1.726 0.900 3.872 1.00 0.15 O ATOM 309 CB ARG A 21 -1.255 -2.154 4.188 1.00 0.25 C ATOM 310 CG ARG A 21 -0.890 -2.311 5.656 1.00 0.75 C ATOM 311 CD ARG A 21 0.328 -3.209 5.830 1.00 0.82 C ATOM 312 NE ARG A 21 1.529 -2.657 5.194 1.00 0.79 N ATOM 313 CZ ARG A 21 2.475 -3.396 4.609 1.00 1.18 C ATOM 314 NH1 ARG A 21 2.369 -4.718 4.577 1.00 1.84 N ATOM 315 NH2 ARG A 21 3.535 -2.812 4.064 1.00 1.28 N ATOM 316 H ARG A 21 -2.033 -1.384 1.881 1.00 0.13 H ATOM 317 HA ARG A 21 -3.368 -1.821 4.406 1.00 0.22 H ATOM 318 HB2 ARG A 21 -1.387 -3.138 3.768 1.00 0.70 H ATOM 319 HB3 ARG A 21 -0.429 -1.670 3.687 1.00 0.73 H ATOM 320 HG2 ARG A 21 -0.669 -1.338 6.068 1.00 1.35 H ATOM 321 HG3 ARG A 21 -1.726 -2.748 6.181 1.00 1.24 H ATOM 322 HD2 ARG A 21 0.519 -3.331 6.885 1.00 1.08 H ATOM 323 HD3 ARG A 21 0.113 -4.172 5.393 1.00 1.18 H ATOM 324 HE ARG A 21 1.641 -1.676 5.216 1.00 0.97 H ATOM 325 HH11 ARG A 21 1.580 -5.175 4.993 1.00 1.95 H ATOM 326 HH12 ARG A 21 3.083 -5.271 4.136 1.00 2.35 H ATOM 327 HH21 ARG A 21 3.630 -1.812 4.091 1.00 1.21 H ATOM 328 HH22 ARG A 21 4.249 -3.366 3.627 1.00 1.69 H ATOM 329 N ILE A 22 -2.953 0.318 5.657 1.00 0.14 N ATOM 330 CA ILE A 22 -2.917 1.647 6.260 1.00 0.16 C ATOM 331 C ILE A 22 -1.484 2.071 6.554 1.00 0.17 C ATOM 332 O ILE A 22 -0.874 1.600 7.518 1.00 0.31 O ATOM 333 CB ILE A 22 -3.728 1.723 7.575 1.00 0.28 C ATOM 334 CG1 ILE A 22 -5.220 1.442 7.344 1.00 0.39 C ATOM 335 CG2 ILE A 22 -3.559 3.088 8.230 1.00 0.33 C ATOM 336 CD1 ILE A 22 -5.568 -0.020 7.163 1.00 1.22 C ATOM 337 H ILE A 22 -3.412 -0.408 6.130 1.00 0.20 H ATOM 338 HA ILE A 22 -3.348 2.342 5.554 1.00 0.18 H ATOM 339 HB ILE A 22 -3.323 0.981 8.246 1.00 0.32 H ATOM 340 HG12 ILE A 22 -5.779 1.806 8.190 1.00 1.13 H ATOM 341 HG13 ILE A 22 -5.541 1.970 6.457 1.00 1.18 H ATOM 342 HG21 ILE A 22 -3.901 3.856 7.552 1.00 1.07 H ATOM 343 HG22 ILE A 22 -2.518 3.252 8.463 1.00 1.08 H ATOM 344 HG23 ILE A 22 -4.142 3.125 9.139 1.00 1.08 H ATOM 345 HD11 ILE A 22 -5.081 -0.399 6.277 1.00 1.81 H ATOM 346 HD12 ILE A 22 -6.637 -0.125 7.057 1.00 1.85 H ATOM 347 HD13 ILE A 22 -5.235 -0.578 8.024 1.00 1.82 H ATOM 348 N ALA A 23 -0.959 2.945 5.710 1.00 0.17 N ATOM 349 CA ALA A 23 0.382 3.465 5.866 1.00 0.23 C ATOM 350 C ALA A 23 0.609 4.606 4.882 1.00 0.40 C ATOM 351 O ALA A 23 0.543 5.778 5.303 1.00 0.64 O ATOM 352 CB ALA A 23 1.399 2.354 5.669 1.00 0.35 C ATOM 353 OXT ALA A 23 0.797 4.336 3.685 1.00 1.33 O ATOM 354 H ALA A 23 -1.492 3.249 4.943 1.00 0.25 H ATOM 355 HA ALA A 23 0.480 3.843 6.874 1.00 0.28 H ATOM 356 HB1 ALA A 23 2.384 2.719 5.910 1.00 1.12 H ATOM 357 HB2 ALA A 23 1.375 2.023 4.642 1.00 1.08 H ATOM 358 HB3 ALA A 23 1.147 1.527 6.321 1.00 1.09 H TER 359 ALA A 23 ENDMDL MODEL 4 ATOM 1 N THR A 1 17.812 -1.275 1.776 1.00 4.74 N ATOM 2 CA THR A 1 16.968 -0.427 0.915 1.00 4.28 C ATOM 3 C THR A 1 15.499 -0.812 1.065 1.00 3.85 C ATOM 4 O THR A 1 15.061 -1.835 0.539 1.00 4.08 O ATOM 5 CB THR A 1 17.386 -0.574 -0.560 1.00 4.65 C ATOM 6 OG1 THR A 1 18.810 -0.436 -0.677 1.00 5.17 O ATOM 7 CG2 THR A 1 16.700 0.472 -1.426 1.00 4.88 C ATOM 8 H1 THR A 1 17.571 -1.140 2.736 1.00 4.93 H ATOM 9 H2 THR A 1 18.775 -1.037 1.652 1.00 4.98 H ATOM 10 H3 THR A 1 17.684 -2.236 1.541 1.00 5.05 H ATOM 11 HA THR A 1 17.096 0.605 1.210 1.00 4.46 H ATOM 12 HB THR A 1 17.096 -1.554 -0.905 1.00 4.91 H ATOM 13 HG1 THR A 1 19.144 -1.093 -1.304 1.00 5.46 H ATOM 14 HG21 THR A 1 15.629 0.360 -1.346 1.00 5.08 H ATOM 15 HG22 THR A 1 16.999 0.338 -2.455 1.00 5.10 H ATOM 16 HG23 THR A 1 16.986 1.458 -1.094 1.00 5.13 H ATOM 17 N ILE A 2 14.742 0.001 1.793 1.00 3.53 N ATOM 18 CA ILE A 2 13.327 -0.270 2.003 1.00 3.22 C ATOM 19 C ILE A 2 12.476 0.638 1.126 1.00 2.69 C ATOM 20 O ILE A 2 12.428 1.851 1.332 1.00 2.69 O ATOM 21 CB ILE A 2 12.917 -0.080 3.481 1.00 3.57 C ATOM 22 CG1 ILE A 2 13.770 -0.967 4.394 1.00 3.97 C ATOM 23 CG2 ILE A 2 11.437 -0.386 3.672 1.00 3.95 C ATOM 24 CD1 ILE A 2 13.685 -2.445 4.072 1.00 4.45 C ATOM 25 H ILE A 2 15.139 0.809 2.190 1.00 3.73 H ATOM 26 HA ILE A 2 13.140 -1.297 1.728 1.00 3.33 H ATOM 27 HB ILE A 2 13.080 0.954 3.744 1.00 3.84 H ATOM 28 HG12 ILE A 2 14.802 -0.668 4.306 1.00 4.24 H ATOM 29 HG13 ILE A 2 13.449 -0.830 5.415 1.00 4.21 H ATOM 30 HG21 ILE A 2 10.850 0.269 3.044 1.00 4.15 H ATOM 31 HG22 ILE A 2 11.167 -0.229 4.706 1.00 4.32 H ATOM 32 HG23 ILE A 2 11.244 -1.412 3.401 1.00 4.23 H ATOM 33 HD11 ILE A 2 14.064 -2.619 3.077 1.00 4.75 H ATOM 34 HD12 ILE A 2 12.655 -2.767 4.126 1.00 4.72 H ATOM 35 HD13 ILE A 2 14.274 -3.004 4.785 1.00 4.70 H ATOM 36 N ILE A 3 11.821 0.049 0.141 1.00 2.42 N ATOM 37 CA ILE A 3 10.975 0.804 -0.766 1.00 1.99 C ATOM 38 C ILE A 3 9.519 0.693 -0.345 1.00 1.72 C ATOM 39 O ILE A 3 8.966 -0.405 -0.271 1.00 1.80 O ATOM 40 CB ILE A 3 11.120 0.314 -2.222 1.00 2.08 C ATOM 41 CG1 ILE A 3 12.589 0.348 -2.655 1.00 2.47 C ATOM 42 CG2 ILE A 3 10.264 1.154 -3.162 1.00 1.90 C ATOM 43 CD1 ILE A 3 13.217 1.725 -2.590 1.00 2.90 C ATOM 44 H ILE A 3 11.902 -0.923 0.024 1.00 2.62 H ATOM 45 HA ILE A 3 11.275 1.840 -0.724 1.00 2.04 H ATOM 46 HB ILE A 3 10.762 -0.702 -2.267 1.00 2.20 H ATOM 47 HG12 ILE A 3 13.161 -0.304 -2.013 1.00 2.70 H ATOM 48 HG13 ILE A 3 12.663 -0.003 -3.674 1.00 2.77 H ATOM 49 HG21 ILE A 3 9.231 1.099 -2.855 1.00 2.14 H ATOM 50 HG22 ILE A 3 10.360 0.778 -4.170 1.00 2.12 H ATOM 51 HG23 ILE A 3 10.595 2.181 -3.128 1.00 2.18 H ATOM 52 HD11 ILE A 3 13.205 2.078 -1.570 1.00 3.27 H ATOM 53 HD12 ILE A 3 12.656 2.405 -3.214 1.00 3.27 H ATOM 54 HD13 ILE A 3 14.237 1.673 -2.941 1.00 3.15 H ATOM 55 N ASN A 4 8.911 1.828 -0.056 1.00 1.59 N ATOM 56 CA ASN A 4 7.507 1.871 0.320 1.00 1.47 C ATOM 57 C ASN A 4 6.648 1.985 -0.929 1.00 1.08 C ATOM 58 O ASN A 4 6.559 3.052 -1.534 1.00 1.14 O ATOM 59 CB ASN A 4 7.243 3.053 1.256 1.00 1.84 C ATOM 60 CG ASN A 4 5.791 3.147 1.688 1.00 1.94 C ATOM 61 OD1 ASN A 4 5.386 2.536 2.676 1.00 2.63 O ATOM 62 ND2 ASN A 4 5.001 3.924 0.963 1.00 2.01 N ATOM 63 H ASN A 4 9.417 2.665 -0.109 1.00 1.72 H ATOM 64 HA ASN A 4 7.267 0.951 0.832 1.00 1.58 H ATOM 65 HB2 ASN A 4 7.856 2.949 2.139 1.00 2.23 H ATOM 66 HB3 ASN A 4 7.507 3.967 0.747 1.00 2.18 H ATOM 67 HD21 ASN A 4 5.391 4.393 0.192 1.00 2.26 H ATOM 68 HD22 ASN A 4 4.059 4.004 1.227 1.00 2.28 H ATOM 69 N ALA A 5 6.032 0.880 -1.319 1.00 0.89 N ATOM 70 CA ALA A 5 5.256 0.842 -2.546 1.00 0.65 C ATOM 71 C ALA A 5 3.805 1.240 -2.292 1.00 0.56 C ATOM 72 O ALA A 5 3.090 0.578 -1.537 1.00 0.60 O ATOM 73 CB ALA A 5 5.324 -0.545 -3.168 1.00 0.80 C ATOM 74 H ALA A 5 6.091 0.075 -0.763 1.00 1.05 H ATOM 75 HA ALA A 5 5.695 1.542 -3.241 1.00 0.71 H ATOM 76 HB1 ALA A 5 6.357 -0.818 -3.327 1.00 1.35 H ATOM 77 HB2 ALA A 5 4.804 -0.541 -4.115 1.00 1.32 H ATOM 78 HB3 ALA A 5 4.859 -1.261 -2.506 1.00 1.34 H ATOM 79 N PRO A 6 3.356 2.329 -2.927 1.00 0.64 N ATOM 80 CA PRO A 6 1.980 2.795 -2.813 1.00 0.70 C ATOM 81 C PRO A 6 1.034 2.017 -3.724 1.00 0.57 C ATOM 82 O PRO A 6 1.465 1.340 -4.662 1.00 0.65 O ATOM 83 CB PRO A 6 2.075 4.255 -3.249 1.00 0.95 C ATOM 84 CG PRO A 6 3.210 4.290 -4.215 1.00 1.21 C ATOM 85 CD PRO A 6 4.165 3.201 -3.799 1.00 0.87 C ATOM 86 HA PRO A 6 1.625 2.741 -1.794 1.00 0.78 H ATOM 87 HB2 PRO A 6 1.148 4.555 -3.716 1.00 1.00 H ATOM 88 HB3 PRO A 6 2.271 4.880 -2.390 1.00 1.12 H ATOM 89 HG2 PRO A 6 2.844 4.104 -5.213 1.00 1.50 H ATOM 90 HG3 PRO A 6 3.697 5.253 -4.169 1.00 1.58 H ATOM 91 HD2 PRO A 6 4.514 2.659 -4.664 1.00 0.93 H ATOM 92 HD3 PRO A 6 4.998 3.620 -3.256 1.00 0.93 H ATOM 93 N ASN A 7 -0.253 2.116 -3.445 1.00 0.50 N ATOM 94 CA ASN A 7 -1.262 1.398 -4.208 1.00 0.42 C ATOM 95 C ASN A 7 -2.134 2.414 -4.945 1.00 0.48 C ATOM 96 O ASN A 7 -1.811 3.601 -4.951 1.00 0.56 O ATOM 97 CB ASN A 7 -2.104 0.542 -3.246 1.00 0.30 C ATOM 98 CG ASN A 7 -2.767 -0.661 -3.901 1.00 0.38 C ATOM 99 OD1 ASN A 7 -3.132 -0.636 -5.073 1.00 0.74 O ATOM 100 ND2 ASN A 7 -2.919 -1.732 -3.139 1.00 0.19 N ATOM 101 H ASN A 7 -0.538 2.706 -2.716 1.00 0.58 H ATOM 102 HA ASN A 7 -0.765 0.762 -4.924 1.00 0.49 H ATOM 103 HB2 ASN A 7 -1.466 0.181 -2.453 1.00 0.29 H ATOM 104 HB3 ASN A 7 -2.878 1.162 -2.817 1.00 0.33 H ATOM 105 HD21 ASN A 7 -2.599 -1.695 -2.210 1.00 0.27 H ATOM 106 HD22 ASN A 7 -3.352 -2.524 -3.533 1.00 0.26 H ATOM 107 N ARG A 8 -3.213 1.963 -5.574 1.00 0.51 N ATOM 108 CA ARG A 8 -4.187 2.880 -6.157 1.00 0.62 C ATOM 109 C ARG A 8 -4.747 3.781 -5.067 1.00 0.51 C ATOM 110 O ARG A 8 -5.008 4.965 -5.291 1.00 0.57 O ATOM 111 CB ARG A 8 -5.308 2.110 -6.852 1.00 0.75 C ATOM 112 CG ARG A 8 -4.930 1.619 -8.238 1.00 1.16 C ATOM 113 CD ARG A 8 -5.969 0.663 -8.792 1.00 1.75 C ATOM 114 NE ARG A 8 -5.937 -0.624 -8.102 1.00 2.48 N ATOM 115 CZ ARG A 8 -7.015 -1.347 -7.808 1.00 3.42 C ATOM 116 NH1 ARG A 8 -8.227 -0.912 -8.127 1.00 3.83 N ATOM 117 NH2 ARG A 8 -6.875 -2.510 -7.190 1.00 4.36 N ATOM 118 H ARG A 8 -3.350 0.993 -5.659 1.00 0.50 H ATOM 119 HA ARG A 8 -3.672 3.491 -6.883 1.00 0.73 H ATOM 120 HB2 ARG A 8 -5.571 1.254 -6.248 1.00 0.92 H ATOM 121 HB3 ARG A 8 -6.170 2.754 -6.943 1.00 1.07 H ATOM 122 HG2 ARG A 8 -4.848 2.469 -8.900 1.00 1.64 H ATOM 123 HG3 ARG A 8 -3.979 1.111 -8.181 1.00 1.67 H ATOM 124 HD2 ARG A 8 -6.947 1.104 -8.672 1.00 2.27 H ATOM 125 HD3 ARG A 8 -5.770 0.504 -9.842 1.00 2.17 H ATOM 126 HE ARG A 8 -5.053 -0.975 -7.848 1.00 2.70 H ATOM 127 HH11 ARG A 8 -8.344 -0.032 -8.593 1.00 3.58 H ATOM 128 HH12 ARG A 8 -9.034 -1.466 -7.902 1.00 4.66 H ATOM 129 HH21 ARG A 8 -5.960 -2.844 -6.947 1.00 4.53 H ATOM 130 HH22 ARG A 8 -7.684 -3.059 -6.961 1.00 5.09 H ATOM 131 N CYS A 9 -4.919 3.203 -3.887 1.00 0.38 N ATOM 132 CA CYS A 9 -5.194 3.973 -2.689 1.00 0.29 C ATOM 133 C CYS A 9 -4.032 4.932 -2.437 1.00 0.22 C ATOM 134 O CYS A 9 -2.876 4.508 -2.378 1.00 0.30 O ATOM 135 CB CYS A 9 -5.365 3.030 -1.498 1.00 0.31 C ATOM 136 SG CYS A 9 -6.681 1.781 -1.709 1.00 0.45 S ATOM 137 H CYS A 9 -4.864 2.229 -3.823 1.00 0.38 H ATOM 138 HA CYS A 9 -6.102 4.536 -2.842 1.00 0.32 H ATOM 139 HB2 CYS A 9 -4.434 2.502 -1.333 1.00 0.28 H ATOM 140 HB3 CYS A 9 -5.600 3.612 -0.619 1.00 0.31 H ATOM 141 N PRO A 10 -4.326 6.233 -2.300 1.00 0.21 N ATOM 142 CA PRO A 10 -3.301 7.281 -2.172 1.00 0.27 C ATOM 143 C PRO A 10 -2.456 7.138 -0.905 1.00 0.19 C ATOM 144 O PRO A 10 -2.773 6.314 -0.039 1.00 0.15 O ATOM 145 CB PRO A 10 -4.125 8.575 -2.125 1.00 0.39 C ATOM 146 CG PRO A 10 -5.467 8.148 -1.648 1.00 0.38 C ATOM 147 CD PRO A 10 -5.688 6.792 -2.244 1.00 0.28 C ATOM 148 HA PRO A 10 -2.650 7.300 -3.033 1.00 0.37 H ATOM 149 HB2 PRO A 10 -3.664 9.274 -1.443 1.00 0.46 H ATOM 150 HB3 PRO A 10 -4.177 9.008 -3.113 1.00 0.49 H ATOM 151 HG2 PRO A 10 -5.473 8.091 -0.569 1.00 0.41 H ATOM 152 HG3 PRO A 10 -6.220 8.840 -1.995 1.00 0.47 H ATOM 153 HD2 PRO A 10 -6.326 6.198 -1.607 1.00 0.33 H ATOM 154 HD3 PRO A 10 -6.111 6.877 -3.235 1.00 0.32 H ATOM 155 N PRO A 11 -1.358 7.928 -0.789 1.00 0.22 N ATOM 156 CA PRO A 11 -0.498 7.949 0.397 1.00 0.21 C ATOM 157 C PRO A 11 -1.296 7.829 1.689 1.00 0.17 C ATOM 158 O PRO A 11 -2.252 8.575 1.921 1.00 0.24 O ATOM 159 CB PRO A 11 0.179 9.311 0.295 1.00 0.29 C ATOM 160 CG PRO A 11 0.313 9.545 -1.170 1.00 0.35 C ATOM 161 CD PRO A 11 -0.861 8.856 -1.825 1.00 0.33 C ATOM 162 HA PRO A 11 0.247 7.169 0.359 1.00 0.25 H ATOM 163 HB2 PRO A 11 -0.441 10.062 0.763 1.00 0.31 H ATOM 164 HB3 PRO A 11 1.144 9.275 0.779 1.00 0.35 H ATOM 165 HG2 PRO A 11 0.286 10.605 -1.375 1.00 0.42 H ATOM 166 HG3 PRO A 11 1.240 9.119 -1.523 1.00 0.45 H ATOM 167 HD2 PRO A 11 -1.620 9.577 -2.087 1.00 0.40 H ATOM 168 HD3 PRO A 11 -0.538 8.314 -2.702 1.00 0.44 H ATOM 169 N GLY A 12 -0.911 6.876 2.514 1.00 0.16 N ATOM 170 CA GLY A 12 -1.722 6.504 3.647 1.00 0.17 C ATOM 171 C GLY A 12 -2.157 5.067 3.512 1.00 0.11 C ATOM 172 O GLY A 12 -2.600 4.441 4.471 1.00 0.14 O ATOM 173 H GLY A 12 -0.060 6.411 2.353 1.00 0.21 H ATOM 174 HA2 GLY A 12 -1.146 6.622 4.554 1.00 0.23 H ATOM 175 HA3 GLY A 12 -2.594 7.137 3.688 1.00 0.20 H ATOM 176 N HIS A 13 -2.045 4.549 2.294 1.00 0.12 N ATOM 177 CA HIS A 13 -2.240 3.131 2.039 1.00 0.13 C ATOM 178 C HIS A 13 -1.159 2.615 1.100 1.00 0.18 C ATOM 179 O HIS A 13 -0.839 3.254 0.098 1.00 0.36 O ATOM 180 CB HIS A 13 -3.599 2.831 1.415 1.00 0.20 C ATOM 181 CG HIS A 13 -4.789 3.243 2.225 1.00 0.28 C ATOM 182 ND1 HIS A 13 -5.213 4.548 2.346 1.00 0.44 N ATOM 183 CD2 HIS A 13 -5.667 2.499 2.932 1.00 0.41 C ATOM 184 CE1 HIS A 13 -6.300 4.586 3.094 1.00 0.49 C ATOM 185 NE2 HIS A 13 -6.600 3.356 3.462 1.00 0.47 N ATOM 186 H HIS A 13 -1.825 5.143 1.540 1.00 0.16 H ATOM 187 HA HIS A 13 -2.161 2.610 2.982 1.00 0.13 H ATOM 188 HB2 HIS A 13 -3.663 3.321 0.460 1.00 0.25 H ATOM 189 HB3 HIS A 13 -3.666 1.763 1.266 1.00 0.22 H ATOM 190 HD1 HIS A 13 -4.783 5.336 1.941 1.00 0.58 H ATOM 191 HD2 HIS A 13 -5.646 1.424 3.046 1.00 0.56 H ATOM 192 HE1 HIS A 13 -6.850 5.476 3.359 1.00 0.63 H ATOM 193 HE2 HIS A 13 -7.472 3.082 3.822 1.00 0.61 H ATOM 194 N VAL A 14 -0.603 1.465 1.425 1.00 0.11 N ATOM 195 CA VAL A 14 0.434 0.855 0.603 1.00 0.13 C ATOM 196 C VAL A 14 -0.046 -0.475 0.043 1.00 0.11 C ATOM 197 O VAL A 14 -0.995 -1.059 0.561 1.00 0.15 O ATOM 198 CB VAL A 14 1.731 0.633 1.411 1.00 0.19 C ATOM 199 CG1 VAL A 14 2.245 1.951 1.961 1.00 0.26 C ATOM 200 CG2 VAL A 14 1.507 -0.370 2.537 1.00 0.23 C ATOM 201 H VAL A 14 -0.895 1.011 2.245 1.00 0.16 H ATOM 202 HA VAL A 14 0.644 1.525 -0.218 1.00 0.16 H ATOM 203 HB VAL A 14 2.480 0.231 0.745 1.00 0.23 H ATOM 204 HG11 VAL A 14 1.464 2.431 2.536 1.00 1.02 H ATOM 205 HG12 VAL A 14 2.538 2.594 1.144 1.00 1.05 H ATOM 206 HG13 VAL A 14 3.098 1.766 2.598 1.00 1.07 H ATOM 207 HG21 VAL A 14 0.733 -0.004 3.194 1.00 1.05 H ATOM 208 HG22 VAL A 14 2.423 -0.496 3.095 1.00 1.05 H ATOM 209 HG23 VAL A 14 1.206 -1.319 2.119 1.00 1.04 H ATOM 210 N VAL A 15 0.598 -0.951 -1.011 1.00 0.16 N ATOM 211 CA VAL A 15 0.177 -2.186 -1.646 1.00 0.17 C ATOM 212 C VAL A 15 0.829 -3.407 -0.997 1.00 0.18 C ATOM 213 O VAL A 15 2.017 -3.678 -1.175 1.00 0.28 O ATOM 214 CB VAL A 15 0.441 -2.171 -3.171 1.00 0.24 C ATOM 215 CG1 VAL A 15 1.904 -1.895 -3.486 1.00 0.42 C ATOM 216 CG2 VAL A 15 -0.015 -3.479 -3.804 1.00 0.37 C ATOM 217 H VAL A 15 1.378 -0.468 -1.365 1.00 0.23 H ATOM 218 HA VAL A 15 -0.892 -2.265 -1.503 1.00 0.14 H ATOM 219 HB VAL A 15 -0.143 -1.371 -3.598 1.00 0.42 H ATOM 220 HG11 VAL A 15 2.178 -0.926 -3.095 1.00 1.13 H ATOM 221 HG12 VAL A 15 2.050 -1.906 -4.555 1.00 1.12 H ATOM 222 HG13 VAL A 15 2.519 -2.655 -3.030 1.00 1.12 H ATOM 223 HG21 VAL A 15 0.591 -4.291 -3.428 1.00 1.12 H ATOM 224 HG22 VAL A 15 0.090 -3.418 -4.876 1.00 1.10 H ATOM 225 HG23 VAL A 15 -1.051 -3.660 -3.551 1.00 1.09 H ATOM 226 N VAL A 16 0.038 -4.119 -0.216 1.00 0.14 N ATOM 227 CA VAL A 16 0.461 -5.366 0.381 1.00 0.18 C ATOM 228 C VAL A 16 -0.436 -6.503 -0.110 1.00 0.14 C ATOM 229 O VAL A 16 -1.640 -6.527 0.165 1.00 0.21 O ATOM 230 CB VAL A 16 0.440 -5.275 1.920 1.00 0.29 C ATOM 231 CG1 VAL A 16 -0.900 -4.751 2.413 1.00 0.51 C ATOM 232 CG2 VAL A 16 0.766 -6.623 2.550 1.00 0.55 C ATOM 233 H VAL A 16 -0.869 -3.789 -0.025 1.00 0.14 H ATOM 234 HA VAL A 16 1.475 -5.559 0.063 1.00 0.24 H ATOM 235 HB VAL A 16 1.202 -4.571 2.222 1.00 0.50 H ATOM 236 HG11 VAL A 16 -0.881 -4.671 3.489 1.00 1.17 H ATOM 237 HG12 VAL A 16 -1.683 -5.431 2.115 1.00 1.17 H ATOM 238 HG13 VAL A 16 -1.088 -3.774 1.982 1.00 1.19 H ATOM 239 HG21 VAL A 16 0.774 -6.525 3.625 1.00 1.20 H ATOM 240 HG22 VAL A 16 1.737 -6.952 2.211 1.00 1.18 H ATOM 241 HG23 VAL A 16 0.019 -7.346 2.259 1.00 1.21 H ATOM 242 N LYS A 17 0.154 -7.417 -0.874 1.00 0.20 N ATOM 243 CA LYS A 17 -0.581 -8.525 -1.481 1.00 0.30 C ATOM 244 C LYS A 17 -1.665 -7.995 -2.417 1.00 0.25 C ATOM 245 O LYS A 17 -2.720 -8.608 -2.580 1.00 0.33 O ATOM 246 CB LYS A 17 -1.202 -9.427 -0.407 1.00 0.44 C ATOM 247 CG LYS A 17 -0.182 -10.084 0.511 1.00 0.92 C ATOM 248 CD LYS A 17 -0.855 -10.917 1.591 1.00 1.34 C ATOM 249 CE LYS A 17 -1.678 -12.050 1.000 1.00 2.04 C ATOM 250 NZ LYS A 17 -2.334 -12.872 2.050 1.00 2.67 N ATOM 251 H LYS A 17 1.119 -7.344 -1.037 1.00 0.27 H ATOM 252 HA LYS A 17 0.122 -9.105 -2.062 1.00 0.40 H ATOM 253 HB2 LYS A 17 -1.870 -8.834 0.200 1.00 0.83 H ATOM 254 HB3 LYS A 17 -1.771 -10.205 -0.895 1.00 0.81 H ATOM 255 HG2 LYS A 17 0.456 -10.726 -0.077 1.00 1.38 H ATOM 256 HG3 LYS A 17 0.412 -9.314 0.979 1.00 1.42 H ATOM 257 HD2 LYS A 17 -0.093 -11.337 2.232 1.00 1.78 H ATOM 258 HD3 LYS A 17 -1.503 -10.278 2.172 1.00 1.80 H ATOM 259 HE2 LYS A 17 -2.439 -11.629 0.361 1.00 2.51 H ATOM 260 HE3 LYS A 17 -1.027 -12.683 0.413 1.00 2.53 H ATOM 261 HZ1 LYS A 17 -2.943 -12.301 2.606 1.00 3.04 H ATOM 262 HZ2 LYS A 17 -1.645 -13.279 2.649 1.00 3.03 H ATOM 263 HZ3 LYS A 17 -2.868 -13.603 1.632 1.00 3.03 H ATOM 264 N GLY A 18 -1.399 -6.840 -3.014 1.00 0.21 N ATOM 265 CA GLY A 18 -2.347 -6.230 -3.926 1.00 0.25 C ATOM 266 C GLY A 18 -3.313 -5.286 -3.233 1.00 0.26 C ATOM 267 O GLY A 18 -3.894 -4.408 -3.869 1.00 0.51 O ATOM 268 H GLY A 18 -0.541 -6.399 -2.837 1.00 0.23 H ATOM 269 HA2 GLY A 18 -1.800 -5.679 -4.677 1.00 0.29 H ATOM 270 HA3 GLY A 18 -2.912 -7.011 -4.411 1.00 0.28 H ATOM 271 N ARG A 19 -3.460 -5.441 -1.926 1.00 0.12 N ATOM 272 CA ARG A 19 -4.434 -4.666 -1.165 1.00 0.16 C ATOM 273 C ARG A 19 -3.755 -3.444 -0.557 1.00 0.12 C ATOM 274 O ARG A 19 -2.550 -3.458 -0.314 1.00 0.18 O ATOM 275 CB ARG A 19 -5.077 -5.540 -0.081 1.00 0.28 C ATOM 276 CG ARG A 19 -4.465 -5.379 1.299 1.00 0.68 C ATOM 277 CD ARG A 19 -5.541 -5.138 2.338 1.00 0.94 C ATOM 278 NE ARG A 19 -6.403 -4.011 1.972 1.00 1.06 N ATOM 279 CZ ARG A 19 -7.241 -3.411 2.815 1.00 1.47 C ATOM 280 NH1 ARG A 19 -7.316 -3.809 4.079 1.00 1.66 N ATOM 281 NH2 ARG A 19 -8.001 -2.409 2.395 1.00 1.91 N ATOM 282 H ARG A 19 -2.877 -6.072 -1.455 1.00 0.20 H ATOM 283 HA ARG A 19 -5.204 -4.328 -1.840 1.00 0.22 H ATOM 284 HB2 ARG A 19 -6.125 -5.298 -0.016 1.00 0.79 H ATOM 285 HB3 ARG A 19 -4.978 -6.576 -0.373 1.00 0.80 H ATOM 286 HG2 ARG A 19 -3.925 -6.279 1.553 1.00 1.15 H ATOM 287 HG3 ARG A 19 -3.787 -4.538 1.289 1.00 1.10 H ATOM 288 HD2 ARG A 19 -6.146 -6.028 2.426 1.00 1.23 H ATOM 289 HD3 ARG A 19 -5.071 -4.926 3.286 1.00 1.42 H ATOM 290 HE ARG A 19 -6.358 -3.691 1.038 1.00 1.10 H ATOM 291 HH11 ARG A 19 -6.738 -4.564 4.407 1.00 1.58 H ATOM 292 HH12 ARG A 19 -7.954 -3.362 4.711 1.00 2.02 H ATOM 293 HH21 ARG A 19 -7.947 -2.101 1.440 1.00 1.98 H ATOM 294 HH22 ARG A 19 -8.628 -1.950 3.028 1.00 2.27 H ATOM 295 N CYS A 20 -4.506 -2.380 -0.335 1.00 0.12 N ATOM 296 CA CYS A 20 -3.920 -1.158 0.182 1.00 0.13 C ATOM 297 C CYS A 20 -4.095 -1.052 1.699 1.00 0.13 C ATOM 298 O CYS A 20 -5.200 -0.896 2.210 1.00 0.22 O ATOM 299 CB CYS A 20 -4.489 0.061 -0.551 1.00 0.24 C ATOM 300 SG CYS A 20 -6.265 0.376 -0.302 1.00 1.00 S ATOM 301 H CYS A 20 -5.467 -2.412 -0.529 1.00 0.17 H ATOM 302 HA CYS A 20 -2.860 -1.210 -0.022 1.00 0.16 H ATOM 303 HB2 CYS A 20 -3.956 0.937 -0.238 1.00 0.96 H ATOM 304 HB3 CYS A 20 -4.332 -0.076 -1.610 1.00 0.83 H ATOM 305 N ARG A 21 -2.975 -1.143 2.402 1.00 0.11 N ATOM 306 CA ARG A 21 -2.952 -1.175 3.861 1.00 0.15 C ATOM 307 C ARG A 21 -2.605 0.197 4.419 1.00 0.11 C ATOM 308 O ARG A 21 -1.854 0.941 3.800 1.00 0.15 O ATOM 309 CB ARG A 21 -1.906 -2.188 4.320 1.00 0.25 C ATOM 310 CG ARG A 21 -1.836 -2.370 5.827 1.00 0.75 C ATOM 311 CD ARG A 21 -0.672 -3.262 6.219 1.00 0.82 C ATOM 312 NE ARG A 21 0.618 -2.656 5.887 1.00 0.79 N ATOM 313 CZ ARG A 21 1.661 -3.340 5.426 1.00 1.18 C ATOM 314 NH1 ARG A 21 1.569 -4.650 5.234 1.00 1.84 N ATOM 315 NH2 ARG A 21 2.803 -2.714 5.160 1.00 1.28 N ATOM 316 H ARG A 21 -2.120 -1.179 1.918 1.00 0.13 H ATOM 317 HA ARG A 21 -3.926 -1.476 4.213 1.00 0.22 H ATOM 318 HB2 ARG A 21 -2.130 -3.145 3.872 1.00 0.70 H ATOM 319 HB3 ARG A 21 -0.935 -1.862 3.974 1.00 0.73 H ATOM 320 HG2 ARG A 21 -1.709 -1.402 6.289 1.00 1.35 H ATOM 321 HG3 ARG A 21 -2.756 -2.818 6.170 1.00 1.24 H ATOM 322 HD2 ARG A 21 -0.713 -3.438 7.280 1.00 1.08 H ATOM 323 HD3 ARG A 21 -0.763 -4.200 5.695 1.00 1.18 H ATOM 324 HE ARG A 21 0.711 -1.686 6.029 1.00 0.97 H ATOM 325 HH11 ARG A 21 0.712 -5.133 5.437 1.00 1.95 H ATOM 326 HH12 ARG A 21 2.357 -5.164 4.884 1.00 2.35 H ATOM 327 HH21 ARG A 21 2.886 -1.724 5.310 1.00 1.21 H ATOM 328 HH22 ARG A 21 3.588 -3.228 4.806 1.00 1.69 H ATOM 329 N ILE A 22 -3.150 0.515 5.590 1.00 0.14 N ATOM 330 CA ILE A 22 -2.891 1.795 6.250 1.00 0.16 C ATOM 331 C ILE A 22 -1.400 1.992 6.517 1.00 0.17 C ATOM 332 O ILE A 22 -0.826 1.323 7.384 1.00 0.31 O ATOM 333 CB ILE A 22 -3.625 1.891 7.603 1.00 0.28 C ATOM 334 CG1 ILE A 22 -5.119 1.583 7.446 1.00 0.39 C ATOM 335 CG2 ILE A 22 -3.429 3.270 8.220 1.00 0.33 C ATOM 336 CD1 ILE A 22 -5.860 2.560 6.561 1.00 1.22 C ATOM 337 H ILE A 22 -3.745 -0.133 6.027 1.00 0.20 H ATOM 338 HA ILE A 22 -3.246 2.587 5.609 1.00 0.18 H ATOM 339 HB ILE A 22 -3.179 1.164 8.267 1.00 0.32 H ATOM 340 HG12 ILE A 22 -5.232 0.600 7.017 1.00 1.13 H ATOM 341 HG13 ILE A 22 -5.586 1.599 8.421 1.00 1.18 H ATOM 342 HG21 ILE A 22 -3.956 3.323 9.160 1.00 1.07 H ATOM 343 HG22 ILE A 22 -3.815 4.022 7.547 1.00 1.08 H ATOM 344 HG23 ILE A 22 -2.376 3.444 8.386 1.00 1.08 H ATOM 345 HD11 ILE A 22 -5.446 2.528 5.564 1.00 1.81 H ATOM 346 HD12 ILE A 22 -5.758 3.558 6.961 1.00 1.85 H ATOM 347 HD13 ILE A 22 -6.906 2.293 6.525 1.00 1.82 H ATOM 348 N ALA A 23 -0.787 2.907 5.777 1.00 0.17 N ATOM 349 CA ALA A 23 0.613 3.237 5.957 1.00 0.23 C ATOM 350 C ALA A 23 0.977 4.478 5.142 1.00 0.40 C ATOM 351 O ALA A 23 1.039 4.386 3.895 1.00 0.64 O ATOM 352 CB ALA A 23 1.487 2.053 5.578 1.00 0.35 C ATOM 353 OXT ALA A 23 1.191 5.545 5.755 1.00 1.33 O ATOM 354 H ALA A 23 -1.295 3.375 5.077 1.00 0.25 H ATOM 355 HA ALA A 23 0.771 3.450 7.004 1.00 0.28 H ATOM 356 HB1 ALA A 23 1.194 1.195 6.169 1.00 1.12 H ATOM 357 HB2 ALA A 23 2.522 2.290 5.772 1.00 1.08 H ATOM 358 HB3 ALA A 23 1.356 1.829 4.533 1.00 1.09 H TER 359 ALA A 23 ENDMDL MODEL 5 ATOM 1 N THR A 1 17.037 -2.086 4.590 1.00 4.74 N ATOM 2 CA THR A 1 15.972 -1.202 4.083 1.00 4.28 C ATOM 3 C THR A 1 14.682 -1.989 3.875 1.00 3.85 C ATOM 4 O THR A 1 14.703 -3.108 3.359 1.00 4.08 O ATOM 5 CB THR A 1 16.398 -0.545 2.754 1.00 4.65 C ATOM 6 OG1 THR A 1 17.631 0.167 2.937 1.00 5.17 O ATOM 7 CG2 THR A 1 15.329 0.411 2.241 1.00 4.88 C ATOM 8 H1 THR A 1 17.882 -1.569 4.712 1.00 4.93 H ATOM 9 H2 THR A 1 17.204 -2.828 3.943 1.00 4.98 H ATOM 10 H3 THR A 1 16.767 -2.481 5.467 1.00 5.05 H ATOM 11 HA THR A 1 15.797 -0.423 4.812 1.00 4.46 H ATOM 12 HB THR A 1 16.547 -1.323 2.019 1.00 4.91 H ATOM 13 HG1 THR A 1 17.456 1.119 2.922 1.00 5.46 H ATOM 14 HG21 THR A 1 15.655 0.848 1.309 1.00 5.08 H ATOM 15 HG22 THR A 1 15.166 1.191 2.968 1.00 5.10 H ATOM 16 HG23 THR A 1 14.408 -0.132 2.082 1.00 5.13 H ATOM 17 N ILE A 2 13.566 -1.411 4.295 1.00 3.53 N ATOM 18 CA ILE A 2 12.266 -2.035 4.118 1.00 3.22 C ATOM 19 C ILE A 2 11.209 -0.976 3.802 1.00 2.69 C ATOM 20 O ILE A 2 10.733 -0.265 4.686 1.00 2.69 O ATOM 21 CB ILE A 2 11.859 -2.866 5.365 1.00 3.57 C ATOM 22 CG1 ILE A 2 10.428 -3.397 5.229 1.00 3.97 C ATOM 23 CG2 ILE A 2 12.011 -2.056 6.644 1.00 3.95 C ATOM 24 CD1 ILE A 2 10.242 -4.348 4.069 1.00 4.45 C ATOM 25 H ILE A 2 13.616 -0.534 4.739 1.00 3.73 H ATOM 26 HA ILE A 2 12.341 -2.708 3.275 1.00 3.33 H ATOM 27 HB ILE A 2 12.533 -3.707 5.431 1.00 3.84 H ATOM 28 HG12 ILE A 2 10.161 -3.923 6.132 1.00 4.24 H ATOM 29 HG13 ILE A 2 9.754 -2.564 5.089 1.00 4.21 H ATOM 30 HG21 ILE A 2 13.044 -1.774 6.770 1.00 4.15 H ATOM 31 HG22 ILE A 2 11.696 -2.652 7.487 1.00 4.32 H ATOM 32 HG23 ILE A 2 11.400 -1.168 6.582 1.00 4.23 H ATOM 33 HD11 ILE A 2 9.218 -4.682 4.040 1.00 4.75 H ATOM 34 HD12 ILE A 2 10.895 -5.199 4.194 1.00 4.72 H ATOM 35 HD13 ILE A 2 10.482 -3.842 3.145 1.00 4.70 H ATOM 36 N ILE A 3 10.867 -0.857 2.530 1.00 2.42 N ATOM 37 CA ILE A 3 9.879 0.119 2.098 1.00 1.99 C ATOM 38 C ILE A 3 8.714 -0.578 1.408 1.00 1.72 C ATOM 39 O ILE A 3 8.911 -1.529 0.648 1.00 1.80 O ATOM 40 CB ILE A 3 10.492 1.161 1.129 1.00 2.08 C ATOM 41 CG1 ILE A 3 11.710 1.843 1.762 1.00 2.47 C ATOM 42 CG2 ILE A 3 9.453 2.201 0.727 1.00 1.90 C ATOM 43 CD1 ILE A 3 11.396 2.615 3.027 1.00 2.90 C ATOM 44 H ILE A 3 11.286 -1.442 1.860 1.00 2.62 H ATOM 45 HA ILE A 3 9.514 0.638 2.972 1.00 2.04 H ATOM 46 HB ILE A 3 10.804 0.643 0.236 1.00 2.20 H ATOM 47 HG12 ILE A 3 12.443 1.091 2.011 1.00 2.70 H ATOM 48 HG13 ILE A 3 12.138 2.531 1.049 1.00 2.77 H ATOM 49 HG21 ILE A 3 8.624 1.710 0.241 1.00 2.14 H ATOM 50 HG22 ILE A 3 9.900 2.912 0.049 1.00 2.12 H ATOM 51 HG23 ILE A 3 9.100 2.716 1.609 1.00 2.18 H ATOM 52 HD11 ILE A 3 12.300 3.067 3.405 1.00 3.27 H ATOM 53 HD12 ILE A 3 10.992 1.944 3.770 1.00 3.27 H ATOM 54 HD13 ILE A 3 10.672 3.387 2.807 1.00 3.15 H ATOM 55 N ASN A 4 7.506 -0.122 1.692 1.00 1.59 N ATOM 56 CA ASN A 4 6.323 -0.634 1.024 1.00 1.47 C ATOM 57 C ASN A 4 5.771 0.450 0.109 1.00 1.08 C ATOM 58 O ASN A 4 5.455 1.553 0.558 1.00 1.14 O ATOM 59 CB ASN A 4 5.270 -1.069 2.048 1.00 1.84 C ATOM 60 CG ASN A 4 4.227 -2.022 1.477 1.00 1.94 C ATOM 61 OD1 ASN A 4 3.737 -2.902 2.182 1.00 2.63 O ATOM 62 ND2 ASN A 4 3.863 -1.853 0.213 1.00 2.01 N ATOM 63 H ASN A 4 7.406 0.585 2.363 1.00 1.72 H ATOM 64 HA ASN A 4 6.617 -1.485 0.425 1.00 1.58 H ATOM 65 HB2 ASN A 4 5.764 -1.563 2.870 1.00 2.23 H ATOM 66 HB3 ASN A 4 4.760 -0.191 2.419 1.00 2.18 H ATOM 67 HD21 ASN A 4 4.269 -1.125 -0.298 1.00 2.26 H ATOM 68 HD22 ASN A 4 3.201 -2.478 -0.164 1.00 2.28 H ATOM 69 N ALA A 5 5.680 0.137 -1.172 1.00 0.89 N ATOM 70 CA ALA A 5 5.249 1.099 -2.170 1.00 0.65 C ATOM 71 C ALA A 5 3.750 1.375 -2.070 1.00 0.56 C ATOM 72 O ALA A 5 2.966 0.485 -1.739 1.00 0.60 O ATOM 73 CB ALA A 5 5.605 0.588 -3.557 1.00 0.80 C ATOM 74 H ALA A 5 5.908 -0.773 -1.460 1.00 1.05 H ATOM 75 HA ALA A 5 5.790 2.018 -2.002 1.00 0.71 H ATOM 76 HB1 ALA A 5 6.666 0.390 -3.603 1.00 1.35 H ATOM 77 HB2 ALA A 5 5.343 1.334 -4.293 1.00 1.32 H ATOM 78 HB3 ALA A 5 5.060 -0.322 -3.755 1.00 1.34 H ATOM 79 N PRO A 6 3.347 2.629 -2.328 1.00 0.64 N ATOM 80 CA PRO A 6 1.935 3.021 -2.393 1.00 0.70 C ATOM 81 C PRO A 6 1.171 2.219 -3.442 1.00 0.57 C ATOM 82 O PRO A 6 1.733 1.801 -4.457 1.00 0.65 O ATOM 83 CB PRO A 6 1.983 4.497 -2.795 1.00 0.95 C ATOM 84 CG PRO A 6 3.342 4.961 -2.411 1.00 1.21 C ATOM 85 CD PRO A 6 4.245 3.770 -2.559 1.00 0.87 C ATOM 86 HA PRO A 6 1.449 2.918 -1.434 1.00 0.78 H ATOM 87 HB2 PRO A 6 1.822 4.585 -3.859 1.00 1.00 H ATOM 88 HB3 PRO A 6 1.216 5.042 -2.264 1.00 1.12 H ATOM 89 HG2 PRO A 6 3.659 5.756 -3.071 1.00 1.50 H ATOM 90 HG3 PRO A 6 3.338 5.303 -1.387 1.00 1.58 H ATOM 91 HD2 PRO A 6 4.664 3.731 -3.551 1.00 0.93 H ATOM 92 HD3 PRO A 6 5.029 3.800 -1.818 1.00 0.93 H ATOM 93 N ASN A 7 -0.111 2.022 -3.197 1.00 0.50 N ATOM 94 CA ASN A 7 -0.959 1.230 -4.077 1.00 0.42 C ATOM 95 C ASN A 7 -1.721 2.168 -5.015 1.00 0.48 C ATOM 96 O ASN A 7 -1.349 3.334 -5.159 1.00 0.56 O ATOM 97 CB ASN A 7 -1.937 0.413 -3.215 1.00 0.30 C ATOM 98 CG ASN A 7 -2.508 -0.822 -3.901 1.00 0.38 C ATOM 99 OD1 ASN A 7 -2.667 -0.876 -5.118 1.00 0.74 O ATOM 100 ND2 ASN A 7 -2.818 -1.830 -3.106 1.00 0.19 N ATOM 101 H ASN A 7 -0.510 2.442 -2.402 1.00 0.58 H ATOM 102 HA ASN A 7 -0.335 0.564 -4.654 1.00 0.49 H ATOM 103 HB2 ASN A 7 -1.423 0.089 -2.323 1.00 0.29 H ATOM 104 HB3 ASN A 7 -2.762 1.051 -2.929 1.00 0.33 H ATOM 105 HD21 ASN A 7 -2.658 -1.725 -2.140 1.00 0.27 H ATOM 106 HD22 ASN A 7 -3.214 -2.640 -3.505 1.00 0.26 H ATOM 107 N ARG A 8 -2.757 1.662 -5.670 1.00 0.51 N ATOM 108 CA ARG A 8 -3.697 2.513 -6.389 1.00 0.62 C ATOM 109 C ARG A 8 -4.285 3.505 -5.400 1.00 0.51 C ATOM 110 O ARG A 8 -4.508 4.679 -5.706 1.00 0.57 O ATOM 111 CB ARG A 8 -4.811 1.664 -7.004 1.00 0.75 C ATOM 112 CG ARG A 8 -4.305 0.553 -7.910 1.00 1.16 C ATOM 113 CD ARG A 8 -5.428 -0.385 -8.310 1.00 1.75 C ATOM 114 NE ARG A 8 -4.963 -1.459 -9.182 1.00 2.48 N ATOM 115 CZ ARG A 8 -5.713 -2.497 -9.545 1.00 3.42 C ATOM 116 NH1 ARG A 8 -6.969 -2.599 -9.122 1.00 3.83 N ATOM 117 NH2 ARG A 8 -5.205 -3.430 -10.336 1.00 4.36 N ATOM 118 H ARG A 8 -2.886 0.687 -5.680 1.00 0.50 H ATOM 119 HA ARG A 8 -3.163 3.043 -7.165 1.00 0.73 H ATOM 120 HB2 ARG A 8 -5.386 1.215 -6.207 1.00 0.92 H ATOM 121 HB3 ARG A 8 -5.457 2.305 -7.584 1.00 1.07 H ATOM 122 HG2 ARG A 8 -3.880 0.992 -8.800 1.00 1.64 H ATOM 123 HG3 ARG A 8 -3.547 -0.009 -7.385 1.00 1.67 H ATOM 124 HD2 ARG A 8 -5.850 -0.820 -7.417 1.00 2.27 H ATOM 125 HD3 ARG A 8 -6.187 0.180 -8.826 1.00 2.17 H ATOM 126 HE ARG A 8 -4.037 -1.401 -9.512 1.00 2.70 H ATOM 127 HH11 ARG A 8 -7.362 -1.893 -8.524 1.00 3.58 H ATOM 128 HH12 ARG A 8 -7.532 -3.386 -9.396 1.00 4.66 H ATOM 129 HH21 ARG A 8 -4.259 -3.357 -10.662 1.00 4.53 H ATOM 130 HH22 ARG A 8 -5.764 -4.217 -10.609 1.00 5.09 H ATOM 131 N CYS A 9 -4.532 2.994 -4.205 1.00 0.38 N ATOM 132 CA CYS A 9 -4.886 3.803 -3.060 1.00 0.29 C ATOM 133 C CYS A 9 -3.697 4.695 -2.698 1.00 0.22 C ATOM 134 O CYS A 9 -2.583 4.202 -2.514 1.00 0.30 O ATOM 135 CB CYS A 9 -5.241 2.872 -1.901 1.00 0.31 C ATOM 136 SG CYS A 9 -6.424 1.561 -2.366 1.00 0.45 S ATOM 137 H CYS A 9 -4.473 2.024 -4.091 1.00 0.38 H ATOM 138 HA CYS A 9 -5.739 4.414 -3.314 1.00 0.32 H ATOM 139 HB2 CYS A 9 -4.341 2.391 -1.550 1.00 0.28 H ATOM 140 HB3 CYS A 9 -5.679 3.438 -1.094 1.00 0.31 H ATOM 141 N PRO A 10 -3.917 6.015 -2.624 1.00 0.21 N ATOM 142 CA PRO A 10 -2.841 7.000 -2.426 1.00 0.27 C ATOM 143 C PRO A 10 -2.205 6.934 -1.033 1.00 0.19 C ATOM 144 O PRO A 10 -2.659 6.160 -0.182 1.00 0.15 O ATOM 145 CB PRO A 10 -3.560 8.340 -2.627 1.00 0.39 C ATOM 146 CG PRO A 10 -4.974 8.063 -2.267 1.00 0.38 C ATOM 147 CD PRO A 10 -5.241 6.658 -2.718 1.00 0.28 C ATOM 148 HA PRO A 10 -2.070 6.893 -3.174 1.00 0.37 H ATOM 149 HB2 PRO A 10 -3.125 9.086 -1.979 1.00 0.46 H ATOM 150 HB3 PRO A 10 -3.468 8.651 -3.657 1.00 0.49 H ATOM 151 HG2 PRO A 10 -5.103 8.146 -1.197 1.00 0.41 H ATOM 152 HG3 PRO A 10 -5.626 8.753 -2.779 1.00 0.47 H ATOM 153 HD2 PRO A 10 -5.951 6.178 -2.061 1.00 0.33 H ATOM 154 HD3 PRO A 10 -5.601 6.650 -3.736 1.00 0.32 H ATOM 155 N PRO A 11 -1.129 7.731 -0.800 1.00 0.22 N ATOM 156 CA PRO A 11 -0.477 7.859 0.508 1.00 0.21 C ATOM 157 C PRO A 11 -1.466 7.782 1.665 1.00 0.17 C ATOM 158 O PRO A 11 -2.463 8.511 1.706 1.00 0.24 O ATOM 159 CB PRO A 11 0.159 9.240 0.420 1.00 0.29 C ATOM 160 CG PRO A 11 0.551 9.373 -1.012 1.00 0.35 C ATOM 161 CD PRO A 11 -0.438 8.556 -1.813 1.00 0.33 C ATOM 162 HA PRO A 11 0.292 7.113 0.642 1.00 0.25 H ATOM 163 HB2 PRO A 11 -0.563 9.992 0.707 1.00 0.31 H ATOM 164 HB3 PRO A 11 1.018 9.290 1.071 1.00 0.35 H ATOM 165 HG2 PRO A 11 0.505 10.411 -1.307 1.00 0.42 H ATOM 166 HG3 PRO A 11 1.551 8.990 -1.153 1.00 0.45 H ATOM 167 HD2 PRO A 11 -1.137 9.205 -2.318 1.00 0.40 H ATOM 168 HD3 PRO A 11 0.080 7.933 -2.527 1.00 0.44 H ATOM 169 N GLY A 12 -1.173 6.903 2.605 1.00 0.16 N ATOM 170 CA GLY A 12 -2.143 6.527 3.600 1.00 0.17 C ATOM 171 C GLY A 12 -2.425 5.049 3.497 1.00 0.11 C ATOM 172 O GLY A 12 -2.796 4.397 4.475 1.00 0.14 O ATOM 173 H GLY A 12 -0.273 6.508 2.636 1.00 0.21 H ATOM 174 HA2 GLY A 12 -1.756 6.753 4.583 1.00 0.23 H ATOM 175 HA3 GLY A 12 -3.058 7.075 3.437 1.00 0.20 H ATOM 176 N HIS A 13 -2.242 4.516 2.292 1.00 0.12 N ATOM 177 CA HIS A 13 -2.377 3.089 2.055 1.00 0.13 C ATOM 178 C HIS A 13 -1.310 2.605 1.075 1.00 0.18 C ATOM 179 O HIS A 13 -1.093 3.208 0.024 1.00 0.36 O ATOM 180 CB HIS A 13 -3.758 2.741 1.503 1.00 0.20 C ATOM 181 CG HIS A 13 -4.903 3.212 2.344 1.00 0.28 C ATOM 182 ND1 HIS A 13 -5.535 4.421 2.148 1.00 0.44 N ATOM 183 CD2 HIS A 13 -5.539 2.624 3.382 1.00 0.41 C ATOM 184 CE1 HIS A 13 -6.506 4.557 3.031 1.00 0.49 C ATOM 185 NE2 HIS A 13 -6.529 3.480 3.790 1.00 0.47 N ATOM 186 H HIS A 13 -2.011 5.106 1.537 1.00 0.16 H ATOM 187 HA HIS A 13 -2.239 2.582 3.001 1.00 0.13 H ATOM 188 HB2 HIS A 13 -3.865 3.175 0.523 1.00 0.25 H ATOM 189 HB3 HIS A 13 -3.831 1.665 1.423 1.00 0.22 H ATOM 190 HD1 HIS A 13 -5.310 5.085 1.457 1.00 0.58 H ATOM 191 HD2 HIS A 13 -5.306 1.659 3.811 1.00 0.56 H ATOM 192 HE1 HIS A 13 -7.169 5.406 3.116 1.00 0.63 H ATOM 193 HE2 HIS A 13 -7.210 3.284 4.474 1.00 0.61 H ATOM 194 N VAL A 14 -0.661 1.509 1.423 1.00 0.11 N ATOM 195 CA VAL A 14 0.387 0.925 0.591 1.00 0.13 C ATOM 196 C VAL A 14 -0.067 -0.412 0.026 1.00 0.11 C ATOM 197 O VAL A 14 -1.048 -0.982 0.497 1.00 0.15 O ATOM 198 CB VAL A 14 1.683 0.723 1.399 1.00 0.19 C ATOM 199 CG1 VAL A 14 2.212 2.057 1.894 1.00 0.26 C ATOM 200 CG2 VAL A 14 1.447 -0.224 2.567 1.00 0.23 C ATOM 201 H VAL A 14 -0.893 1.075 2.273 1.00 0.16 H ATOM 202 HA VAL A 14 0.588 1.600 -0.224 1.00 0.16 H ATOM 203 HB VAL A 14 2.426 0.283 0.750 1.00 0.23 H ATOM 204 HG11 VAL A 14 2.417 2.699 1.051 1.00 1.02 H ATOM 205 HG12 VAL A 14 3.122 1.897 2.454 1.00 1.05 H ATOM 206 HG13 VAL A 14 1.473 2.524 2.532 1.00 1.07 H ATOM 207 HG21 VAL A 14 2.371 -0.366 3.107 1.00 1.05 H ATOM 208 HG22 VAL A 14 1.099 -1.176 2.194 1.00 1.05 H ATOM 209 HG23 VAL A 14 0.704 0.197 3.228 1.00 1.04 H ATOM 210 N VAL A 15 0.631 -0.913 -0.985 1.00 0.16 N ATOM 211 CA VAL A 15 0.244 -2.169 -1.606 1.00 0.17 C ATOM 212 C VAL A 15 0.805 -3.372 -0.851 1.00 0.18 C ATOM 213 O VAL A 15 2.012 -3.610 -0.816 1.00 0.28 O ATOM 214 CB VAL A 15 0.645 -2.242 -3.100 1.00 0.24 C ATOM 215 CG1 VAL A 15 2.142 -2.057 -3.298 1.00 0.42 C ATOM 216 CG2 VAL A 15 0.178 -3.561 -3.705 1.00 0.37 C ATOM 217 H VAL A 15 1.422 -0.429 -1.320 1.00 0.23 H ATOM 218 HA VAL A 15 -0.835 -2.223 -1.557 1.00 0.14 H ATOM 219 HB VAL A 15 0.142 -1.441 -3.617 1.00 0.42 H ATOM 220 HG11 VAL A 15 2.675 -2.828 -2.761 1.00 1.13 H ATOM 221 HG12 VAL A 15 2.438 -1.088 -2.924 1.00 1.12 H ATOM 222 HG13 VAL A 15 2.376 -2.124 -4.351 1.00 1.12 H ATOM 223 HG21 VAL A 15 -0.886 -3.674 -3.546 1.00 1.12 H ATOM 224 HG22 VAL A 15 0.700 -4.379 -3.233 1.00 1.10 H ATOM 225 HG23 VAL A 15 0.386 -3.565 -4.765 1.00 1.09 H ATOM 226 N VAL A 16 -0.091 -4.106 -0.220 1.00 0.14 N ATOM 227 CA VAL A 16 0.249 -5.364 0.406 1.00 0.18 C ATOM 228 C VAL A 16 -0.487 -6.500 -0.307 1.00 0.14 C ATOM 229 O VAL A 16 -1.680 -6.726 -0.090 1.00 0.21 O ATOM 230 CB VAL A 16 -0.082 -5.352 1.920 1.00 0.29 C ATOM 231 CG1 VAL A 16 -1.523 -4.931 2.176 1.00 0.51 C ATOM 232 CG2 VAL A 16 0.201 -6.709 2.548 1.00 0.55 C ATOM 233 H VAL A 16 -1.019 -3.786 -0.171 1.00 0.14 H ATOM 234 HA VAL A 16 1.313 -5.513 0.289 1.00 0.24 H ATOM 235 HB VAL A 16 0.562 -4.626 2.395 1.00 0.50 H ATOM 236 HG11 VAL A 16 -1.738 -5.009 3.231 1.00 1.17 H ATOM 237 HG12 VAL A 16 -2.190 -5.577 1.625 1.00 1.17 H ATOM 238 HG13 VAL A 16 -1.664 -3.907 1.853 1.00 1.19 H ATOM 239 HG21 VAL A 16 -0.396 -7.464 2.056 1.00 1.20 H ATOM 240 HG22 VAL A 16 -0.051 -6.679 3.597 1.00 1.18 H ATOM 241 HG23 VAL A 16 1.247 -6.947 2.435 1.00 1.21 H ATOM 242 N LYS A 17 0.228 -7.179 -1.197 1.00 0.20 N ATOM 243 CA LYS A 17 -0.334 -8.276 -1.981 1.00 0.30 C ATOM 244 C LYS A 17 -1.568 -7.818 -2.759 1.00 0.25 C ATOM 245 O LYS A 17 -2.533 -8.568 -2.914 1.00 0.33 O ATOM 246 CB LYS A 17 -0.689 -9.458 -1.073 1.00 0.44 C ATOM 247 CG LYS A 17 0.506 -10.034 -0.328 1.00 0.92 C ATOM 248 CD LYS A 17 0.105 -11.188 0.578 1.00 1.34 C ATOM 249 CE LYS A 17 -0.823 -10.734 1.694 1.00 2.04 C ATOM 250 NZ LYS A 17 -1.238 -11.863 2.566 1.00 2.67 N ATOM 251 H LYS A 17 1.170 -6.935 -1.331 1.00 0.27 H ATOM 252 HA LYS A 17 0.419 -8.593 -2.686 1.00 0.40 H ATOM 253 HB2 LYS A 17 -1.416 -9.129 -0.346 1.00 0.83 H ATOM 254 HB3 LYS A 17 -1.123 -10.242 -1.675 1.00 0.81 H ATOM 255 HG2 LYS A 17 1.228 -10.389 -1.046 1.00 1.38 H ATOM 256 HG3 LYS A 17 0.948 -9.253 0.274 1.00 1.42 H ATOM 257 HD2 LYS A 17 -0.401 -11.938 -0.012 1.00 1.78 H ATOM 258 HD3 LYS A 17 0.996 -11.616 1.014 1.00 1.80 H ATOM 259 HE2 LYS A 17 -0.308 -9.999 2.295 1.00 2.51 H ATOM 260 HE3 LYS A 17 -1.703 -10.288 1.256 1.00 2.53 H ATOM 261 HZ1 LYS A 17 -1.724 -12.554 2.030 1.00 3.04 H ATOM 262 HZ2 LYS A 17 -1.843 -11.535 3.289 1.00 3.03 H ATOM 263 HZ3 LYS A 17 -0.435 -12.287 2.988 1.00 3.03 H ATOM 264 N GLY A 18 -1.532 -6.577 -3.233 1.00 0.21 N ATOM 265 CA GLY A 18 -2.635 -6.035 -4.006 1.00 0.25 C ATOM 266 C GLY A 18 -3.562 -5.164 -3.176 1.00 0.26 C ATOM 267 O GLY A 18 -4.276 -4.318 -3.715 1.00 0.51 O ATOM 268 H GLY A 18 -0.742 -6.025 -3.062 1.00 0.23 H ATOM 269 HA2 GLY A 18 -2.234 -5.443 -4.816 1.00 0.29 H ATOM 270 HA3 GLY A 18 -3.205 -6.853 -4.423 1.00 0.28 H ATOM 271 N ARG A 19 -3.527 -5.348 -1.866 1.00 0.12 N ATOM 272 CA ARG A 19 -4.391 -4.608 -0.958 1.00 0.16 C ATOM 273 C ARG A 19 -3.751 -3.294 -0.552 1.00 0.12 C ATOM 274 O ARG A 19 -2.539 -3.136 -0.634 1.00 0.18 O ATOM 275 CB ARG A 19 -4.664 -5.444 0.290 1.00 0.28 C ATOM 276 CG ARG A 19 -6.127 -5.769 0.517 1.00 0.68 C ATOM 277 CD ARG A 19 -6.947 -4.525 0.840 1.00 0.94 C ATOM 278 NE ARG A 19 -7.346 -3.794 -0.367 1.00 1.06 N ATOM 279 CZ ARG A 19 -7.986 -2.623 -0.359 1.00 1.47 C ATOM 280 NH1 ARG A 19 -8.256 -2.016 0.790 1.00 1.66 N ATOM 281 NH2 ARG A 19 -8.350 -2.055 -1.501 1.00 1.91 N ATOM 282 H ARG A 19 -2.904 -6.005 -1.493 1.00 0.20 H ATOM 283 HA ARG A 19 -5.319 -4.406 -1.467 1.00 0.22 H ATOM 284 HB2 ARG A 19 -4.123 -6.375 0.206 1.00 0.79 H ATOM 285 HB3 ARG A 19 -4.300 -4.906 1.153 1.00 0.80 H ATOM 286 HG2 ARG A 19 -6.516 -6.222 -0.381 1.00 1.15 H ATOM 287 HG3 ARG A 19 -6.205 -6.467 1.336 1.00 1.10 H ATOM 288 HD2 ARG A 19 -7.835 -4.824 1.376 1.00 1.23 H ATOM 289 HD3 ARG A 19 -6.352 -3.871 1.466 1.00 1.42 H ATOM 290 HE ARG A 19 -7.146 -4.218 -1.235 1.00 1.10 H ATOM 291 HH11 ARG A 19 -7.981 -2.432 1.660 1.00 1.58 H ATOM 292 HH12 ARG A 19 -8.740 -1.135 0.793 1.00 2.02 H ATOM 293 HH21 ARG A 19 -8.148 -2.501 -2.379 1.00 1.98 H ATOM 294 HH22 ARG A 19 -8.836 -1.174 -1.494 1.00 2.27 H ATOM 295 N CYS A 20 -4.567 -2.345 -0.131 1.00 0.12 N ATOM 296 CA CYS A 20 -4.062 -1.073 0.341 1.00 0.13 C ATOM 297 C CYS A 20 -4.067 -1.052 1.867 1.00 0.13 C ATOM 298 O CYS A 20 -5.121 -0.976 2.498 1.00 0.22 O ATOM 299 CB CYS A 20 -4.900 0.075 -0.217 1.00 0.24 C ATOM 300 SG CYS A 20 -5.431 -0.157 -1.944 1.00 1.00 S ATOM 301 H CYS A 20 -5.534 -2.501 -0.142 1.00 0.17 H ATOM 302 HA CYS A 20 -3.044 -0.971 -0.005 1.00 0.16 H ATOM 303 HB2 CYS A 20 -5.779 0.207 0.388 1.00 0.96 H ATOM 304 HB3 CYS A 20 -4.314 0.976 -0.182 1.00 0.83 H ATOM 305 N ARG A 21 -2.881 -1.134 2.443 1.00 0.11 N ATOM 306 CA ARG A 21 -2.719 -1.223 3.889 1.00 0.15 C ATOM 307 C ARG A 21 -2.432 0.151 4.478 1.00 0.11 C ATOM 308 O ARG A 21 -1.759 0.959 3.850 1.00 0.15 O ATOM 309 CB ARG A 21 -1.573 -2.183 4.228 1.00 0.25 C ATOM 310 CG ARG A 21 -1.352 -2.378 5.720 1.00 0.75 C ATOM 311 CD ARG A 21 -0.338 -3.477 6.002 1.00 0.82 C ATOM 312 NE ARG A 21 1.009 -3.132 5.545 1.00 0.79 N ATOM 313 CZ ARG A 21 1.998 -4.020 5.413 1.00 1.18 C ATOM 314 NH1 ARG A 21 1.788 -5.304 5.672 1.00 1.84 N ATOM 315 NH2 ARG A 21 3.198 -3.618 5.022 1.00 1.28 N ATOM 316 H ARG A 21 -2.082 -1.125 1.874 1.00 0.13 H ATOM 317 HA ARG A 21 -3.639 -1.605 4.302 1.00 0.22 H ATOM 318 HB2 ARG A 21 -1.788 -3.144 3.792 1.00 0.70 H ATOM 319 HB3 ARG A 21 -0.659 -1.799 3.799 1.00 0.73 H ATOM 320 HG2 ARG A 21 -0.989 -1.452 6.141 1.00 1.35 H ATOM 321 HG3 ARG A 21 -2.292 -2.640 6.181 1.00 1.24 H ATOM 322 HD2 ARG A 21 -0.309 -3.656 7.067 1.00 1.08 H ATOM 323 HD3 ARG A 21 -0.659 -4.377 5.498 1.00 1.18 H ATOM 324 HE ARG A 21 1.191 -2.185 5.339 1.00 0.97 H ATOM 325 HH11 ARG A 21 0.882 -5.619 5.968 1.00 1.95 H ATOM 326 HH12 ARG A 21 2.536 -5.967 5.575 1.00 2.35 H ATOM 327 HH21 ARG A 21 3.366 -2.646 4.827 1.00 1.21 H ATOM 328 HH22 ARG A 21 3.945 -4.279 4.915 1.00 1.69 H ATOM 329 N ILE A 22 -2.945 0.406 5.676 1.00 0.14 N ATOM 330 CA ILE A 22 -2.744 1.685 6.354 1.00 0.16 C ATOM 331 C ILE A 22 -1.262 1.980 6.558 1.00 0.17 C ATOM 332 O ILE A 22 -0.612 1.350 7.396 1.00 0.31 O ATOM 333 CB ILE A 22 -3.422 1.701 7.743 1.00 0.28 C ATOM 334 CG1 ILE A 22 -4.923 1.410 7.633 1.00 0.39 C ATOM 335 CG2 ILE A 22 -3.189 3.036 8.440 1.00 0.33 C ATOM 336 CD1 ILE A 22 -5.708 2.487 6.916 1.00 1.22 C ATOM 337 H ILE A 22 -3.475 -0.290 6.124 1.00 0.20 H ATOM 338 HA ILE A 22 -3.182 2.462 5.745 1.00 0.18 H ATOM 339 HB ILE A 22 -2.955 0.932 8.340 1.00 0.32 H ATOM 340 HG12 ILE A 22 -5.065 0.487 7.094 1.00 1.13 H ATOM 341 HG13 ILE A 22 -5.333 1.305 8.627 1.00 1.18 H ATOM 342 HG21 ILE A 22 -2.129 3.185 8.583 1.00 1.07 H ATOM 343 HG22 ILE A 22 -3.686 3.032 9.399 1.00 1.08 H ATOM 344 HG23 ILE A 22 -3.586 3.833 7.830 1.00 1.08 H ATOM 345 HD11 ILE A 22 -5.333 2.598 5.910 1.00 1.81 H ATOM 346 HD12 ILE A 22 -5.602 3.422 7.446 1.00 1.85 H ATOM 347 HD13 ILE A 22 -6.752 2.209 6.882 1.00 1.82 H ATOM 348 N ALA A 23 -0.739 2.928 5.790 1.00 0.17 N ATOM 349 CA ALA A 23 0.636 3.370 5.940 1.00 0.23 C ATOM 350 C ALA A 23 0.904 4.574 5.045 1.00 0.40 C ATOM 351 O ALA A 23 0.235 5.609 5.235 1.00 0.64 O ATOM 352 CB ALA A 23 1.595 2.233 5.624 1.00 0.35 C ATOM 353 OXT ALA A 23 1.783 4.494 4.167 1.00 1.33 O ATOM 354 H ALA A 23 -1.293 3.342 5.093 1.00 0.25 H ATOM 355 HA ALA A 23 0.783 3.660 6.971 1.00 0.28 H ATOM 356 HB1 ALA A 23 1.357 1.383 6.251 1.00 1.12 H ATOM 357 HB2 ALA A 23 2.609 2.552 5.817 1.00 1.08 H ATOM 358 HB3 ALA A 23 1.494 1.955 4.586 1.00 1.09 H TER 359 ALA A 23 ENDMDL MODEL 6 ATOM 1 N THR A 1 14.919 4.545 6.290 1.00 4.74 N ATOM 2 CA THR A 1 14.538 4.175 4.914 1.00 4.28 C ATOM 3 C THR A 1 13.175 3.490 4.897 1.00 3.85 C ATOM 4 O THR A 1 13.049 2.321 5.267 1.00 4.08 O ATOM 5 CB THR A 1 15.585 3.237 4.284 1.00 4.65 C ATOM 6 OG1 THR A 1 16.893 3.810 4.416 1.00 5.17 O ATOM 7 CG2 THR A 1 15.287 2.995 2.811 1.00 4.88 C ATOM 8 H1 THR A 1 15.843 4.930 6.295 1.00 4.93 H ATOM 9 H2 THR A 1 14.900 3.741 6.879 1.00 4.98 H ATOM 10 H3 THR A 1 14.281 5.225 6.652 1.00 5.05 H ATOM 11 HA THR A 1 14.483 5.077 4.320 1.00 4.46 H ATOM 12 HB THR A 1 15.558 2.291 4.802 1.00 4.91 H ATOM 13 HG1 THR A 1 17.540 3.221 4.013 1.00 5.46 H ATOM 14 HG21 THR A 1 16.029 2.327 2.398 1.00 5.08 H ATOM 15 HG22 THR A 1 15.312 3.934 2.278 1.00 5.10 H ATOM 16 HG23 THR A 1 14.308 2.551 2.711 1.00 5.13 H ATOM 17 N ILE A 2 12.157 4.224 4.483 1.00 3.53 N ATOM 18 CA ILE A 2 10.822 3.666 4.350 1.00 3.22 C ATOM 19 C ILE A 2 10.514 3.385 2.886 1.00 2.69 C ATOM 20 O ILE A 2 10.873 4.168 2.004 1.00 2.69 O ATOM 21 CB ILE A 2 9.743 4.607 4.936 1.00 3.57 C ATOM 22 CG1 ILE A 2 9.815 5.991 4.279 1.00 3.97 C ATOM 23 CG2 ILE A 2 9.906 4.716 6.447 1.00 3.95 C ATOM 24 CD1 ILE A 2 8.725 6.939 4.731 1.00 4.45 C ATOM 25 H ILE A 2 12.307 5.168 4.251 1.00 3.73 H ATOM 26 HA ILE A 2 10.797 2.736 4.900 1.00 3.33 H ATOM 27 HB ILE A 2 8.775 4.172 4.737 1.00 3.84 H ATOM 28 HG12 ILE A 2 10.766 6.445 4.515 1.00 4.24 H ATOM 29 HG13 ILE A 2 9.733 5.877 3.208 1.00 4.21 H ATOM 30 HG21 ILE A 2 10.891 5.099 6.675 1.00 4.15 H ATOM 31 HG22 ILE A 2 9.787 3.741 6.894 1.00 4.32 H ATOM 32 HG23 ILE A 2 9.160 5.389 6.841 1.00 4.23 H ATOM 33 HD11 ILE A 2 8.841 7.887 4.227 1.00 4.75 H ATOM 34 HD12 ILE A 2 8.798 7.087 5.799 1.00 4.72 H ATOM 35 HD13 ILE A 2 7.760 6.519 4.492 1.00 4.70 H ATOM 36 N ILE A 3 9.875 2.260 2.622 1.00 2.42 N ATOM 37 CA ILE A 3 9.519 1.900 1.262 1.00 1.99 C ATOM 38 C ILE A 3 8.012 1.952 1.093 1.00 1.72 C ATOM 39 O ILE A 3 7.279 1.159 1.682 1.00 1.80 O ATOM 40 CB ILE A 3 10.028 0.498 0.878 1.00 2.08 C ATOM 41 CG1 ILE A 3 11.534 0.389 1.135 1.00 2.47 C ATOM 42 CG2 ILE A 3 9.713 0.202 -0.585 1.00 1.90 C ATOM 43 CD1 ILE A 3 12.116 -0.966 0.799 1.00 2.90 C ATOM 44 H ILE A 3 9.622 1.663 3.361 1.00 2.62 H ATOM 45 HA ILE A 3 9.973 2.622 0.598 1.00 2.04 H ATOM 46 HB ILE A 3 9.509 -0.224 1.486 1.00 2.20 H ATOM 47 HG12 ILE A 3 12.049 1.126 0.538 1.00 2.70 H ATOM 48 HG13 ILE A 3 11.728 0.584 2.181 1.00 2.77 H ATOM 49 HG21 ILE A 3 10.181 0.948 -1.211 1.00 2.14 H ATOM 50 HG22 ILE A 3 8.645 0.224 -0.735 1.00 2.12 H ATOM 51 HG23 ILE A 3 10.093 -0.774 -0.844 1.00 2.18 H ATOM 52 HD11 ILE A 3 13.174 -0.968 1.016 1.00 3.27 H ATOM 53 HD12 ILE A 3 11.963 -1.173 -0.250 1.00 3.27 H ATOM 54 HD13 ILE A 3 11.626 -1.724 1.390 1.00 3.15 H ATOM 55 N ASN A 4 7.558 2.905 0.306 1.00 1.59 N ATOM 56 CA ASN A 4 6.137 3.100 0.077 1.00 1.47 C ATOM 57 C ASN A 4 5.714 2.419 -1.212 1.00 1.08 C ATOM 58 O ASN A 4 6.045 2.881 -2.304 1.00 1.14 O ATOM 59 CB ASN A 4 5.810 4.593 0.008 1.00 1.84 C ATOM 60 CG ASN A 4 4.331 4.858 -0.194 1.00 1.94 C ATOM 61 OD1 ASN A 4 3.573 4.951 0.768 1.00 2.63 O ATOM 62 ND2 ASN A 4 3.912 4.991 -1.443 1.00 2.01 N ATOM 63 H ASN A 4 8.200 3.493 -0.142 1.00 1.72 H ATOM 64 HA ASN A 4 5.600 2.656 0.902 1.00 1.58 H ATOM 65 HB2 ASN A 4 6.117 5.063 0.931 1.00 2.23 H ATOM 66 HB3 ASN A 4 6.352 5.034 -0.814 1.00 2.18 H ATOM 67 HD21 ASN A 4 4.572 4.912 -2.166 1.00 2.26 H ATOM 68 HD22 ASN A 4 2.958 5.159 -1.596 1.00 2.28 H ATOM 69 N ALA A 5 5.003 1.314 -1.083 1.00 0.89 N ATOM 70 CA ALA A 5 4.507 0.599 -2.243 1.00 0.65 C ATOM 71 C ALA A 5 3.189 1.210 -2.711 1.00 0.56 C ATOM 72 O ALA A 5 2.207 1.225 -1.973 1.00 0.60 O ATOM 73 CB ALA A 5 4.344 -0.877 -1.917 1.00 0.80 C ATOM 74 H ALA A 5 4.808 0.968 -0.185 1.00 1.05 H ATOM 75 HA ALA A 5 5.237 0.694 -3.031 1.00 0.71 H ATOM 76 HB1 ALA A 5 5.280 -1.271 -1.552 1.00 1.35 H ATOM 77 HB2 ALA A 5 4.052 -1.411 -2.808 1.00 1.32 H ATOM 78 HB3 ALA A 5 3.583 -0.997 -1.159 1.00 1.34 H ATOM 79 N PRO A 6 3.153 1.721 -3.948 1.00 0.64 N ATOM 80 CA PRO A 6 1.986 2.427 -4.479 1.00 0.70 C ATOM 81 C PRO A 6 0.867 1.491 -4.936 1.00 0.57 C ATOM 82 O PRO A 6 1.059 0.648 -5.816 1.00 0.65 O ATOM 83 CB PRO A 6 2.563 3.196 -5.666 1.00 0.95 C ATOM 84 CG PRO A 6 3.708 2.366 -6.138 1.00 1.21 C ATOM 85 CD PRO A 6 4.254 1.656 -4.928 1.00 0.87 C ATOM 86 HA PRO A 6 1.591 3.126 -3.756 1.00 0.78 H ATOM 87 HB2 PRO A 6 1.807 3.301 -6.432 1.00 1.00 H ATOM 88 HB3 PRO A 6 2.892 4.173 -5.342 1.00 1.12 H ATOM 89 HG2 PRO A 6 3.362 1.648 -6.866 1.00 1.50 H ATOM 90 HG3 PRO A 6 4.467 3.002 -6.572 1.00 1.58 H ATOM 91 HD2 PRO A 6 4.490 0.630 -5.170 1.00 0.93 H ATOM 92 HD3 PRO A 6 5.129 2.165 -4.555 1.00 0.93 H ATOM 93 N ASN A 7 -0.298 1.635 -4.324 1.00 0.50 N ATOM 94 CA ASN A 7 -1.480 0.899 -4.752 1.00 0.42 C ATOM 95 C ASN A 7 -2.392 1.853 -5.514 1.00 0.48 C ATOM 96 O ASN A 7 -1.989 2.974 -5.825 1.00 0.56 O ATOM 97 CB ASN A 7 -2.225 0.306 -3.540 1.00 0.30 C ATOM 98 CG ASN A 7 -3.050 -0.929 -3.893 1.00 0.38 C ATOM 99 OD1 ASN A 7 -3.542 -1.074 -5.010 1.00 0.74 O ATOM 100 ND2 ASN A 7 -3.212 -1.834 -2.940 1.00 0.19 N ATOM 101 H ASN A 7 -0.370 2.265 -3.576 1.00 0.58 H ATOM 102 HA ASN A 7 -1.165 0.103 -5.410 1.00 0.49 H ATOM 103 HB2 ASN A 7 -1.511 0.034 -2.779 1.00 0.29 H ATOM 104 HB3 ASN A 7 -2.893 1.057 -3.142 1.00 0.33 H ATOM 105 HD21 ASN A 7 -2.802 -1.671 -2.064 1.00 0.27 H ATOM 106 HD22 ASN A 7 -3.741 -2.635 -3.150 1.00 0.26 H ATOM 107 N ARG A 8 -3.604 1.424 -5.831 1.00 0.51 N ATOM 108 CA ARG A 8 -4.600 2.329 -6.379 1.00 0.62 C ATOM 109 C ARG A 8 -4.947 3.368 -5.325 1.00 0.51 C ATOM 110 O ARG A 8 -5.180 4.537 -5.628 1.00 0.57 O ATOM 111 CB ARG A 8 -5.849 1.560 -6.811 1.00 0.75 C ATOM 112 CG ARG A 8 -5.601 0.552 -7.926 1.00 1.16 C ATOM 113 CD ARG A 8 -5.224 1.227 -9.239 1.00 1.75 C ATOM 114 NE ARG A 8 -3.892 1.836 -9.205 1.00 2.48 N ATOM 115 CZ ARG A 8 -3.518 2.847 -9.990 1.00 3.42 C ATOM 116 NH1 ARG A 8 -4.363 3.345 -10.888 1.00 3.83 N ATOM 117 NH2 ARG A 8 -2.298 3.354 -9.881 1.00 4.36 N ATOM 118 H ARG A 8 -3.829 0.474 -5.699 1.00 0.50 H ATOM 119 HA ARG A 8 -4.167 2.826 -7.236 1.00 0.73 H ATOM 120 HB2 ARG A 8 -6.242 1.029 -5.957 1.00 0.92 H ATOM 121 HB3 ARG A 8 -6.591 2.266 -7.154 1.00 1.07 H ATOM 122 HG2 ARG A 8 -4.797 -0.103 -7.629 1.00 1.64 H ATOM 123 HG3 ARG A 8 -6.500 -0.027 -8.076 1.00 1.67 H ATOM 124 HD2 ARG A 8 -5.247 0.490 -10.025 1.00 2.27 H ATOM 125 HD3 ARG A 8 -5.951 1.996 -9.453 1.00 2.17 H ATOM 126 HE ARG A 8 -3.245 1.468 -8.560 1.00 2.70 H ATOM 127 HH11 ARG A 8 -5.286 2.962 -10.983 1.00 3.58 H ATOM 128 HH12 ARG A 8 -4.081 4.106 -11.478 1.00 4.66 H ATOM 129 HH21 ARG A 8 -1.652 2.978 -9.208 1.00 4.53 H ATOM 130 HH22 ARG A 8 -2.013 4.114 -10.471 1.00 5.09 H ATOM 131 N CYS A 9 -4.949 2.918 -4.082 1.00 0.38 N ATOM 132 CA CYS A 9 -5.140 3.788 -2.937 1.00 0.29 C ATOM 133 C CYS A 9 -3.895 4.653 -2.736 1.00 0.22 C ATOM 134 O CYS A 9 -2.776 4.141 -2.729 1.00 0.30 O ATOM 135 CB CYS A 9 -5.393 2.926 -1.703 1.00 0.31 C ATOM 136 SG CYS A 9 -6.644 1.630 -1.965 1.00 0.45 S ATOM 137 H CYS A 9 -4.817 1.961 -3.929 1.00 0.38 H ATOM 138 HA CYS A 9 -5.995 4.419 -3.122 1.00 0.32 H ATOM 139 HB2 CYS A 9 -4.471 2.443 -1.421 1.00 0.28 H ATOM 140 HB3 CYS A 9 -5.729 3.549 -0.888 1.00 0.31 H ATOM 141 N PRO A 10 -4.082 5.975 -2.589 1.00 0.21 N ATOM 142 CA PRO A 10 -2.973 6.936 -2.453 1.00 0.27 C ATOM 143 C PRO A 10 -2.262 6.842 -1.097 1.00 0.19 C ATOM 144 O PRO A 10 -2.689 6.069 -0.230 1.00 0.15 O ATOM 145 CB PRO A 10 -3.678 8.289 -2.600 1.00 0.39 C ATOM 146 CG PRO A 10 -5.061 8.041 -2.117 1.00 0.38 C ATOM 147 CD PRO A 10 -5.397 6.642 -2.547 1.00 0.28 C ATOM 148 HA PRO A 10 -2.249 6.817 -3.245 1.00 0.37 H ATOM 149 HB2 PRO A 10 -3.175 9.030 -1.997 1.00 0.46 H ATOM 150 HB3 PRO A 10 -3.670 8.593 -3.636 1.00 0.49 H ATOM 151 HG2 PRO A 10 -5.091 8.121 -1.039 1.00 0.41 H ATOM 152 HG3 PRO A 10 -5.742 8.748 -2.567 1.00 0.47 H ATOM 153 HD2 PRO A 10 -6.047 6.171 -1.825 1.00 0.33 H ATOM 154 HD3 PRO A 10 -5.857 6.649 -3.525 1.00 0.32 H ATOM 155 N PRO A 11 -1.159 7.616 -0.907 1.00 0.22 N ATOM 156 CA PRO A 11 -0.423 7.692 0.364 1.00 0.21 C ATOM 157 C PRO A 11 -1.337 7.636 1.585 1.00 0.17 C ATOM 158 O PRO A 11 -2.395 8.273 1.623 1.00 0.24 O ATOM 159 CB PRO A 11 0.269 9.045 0.262 1.00 0.29 C ATOM 160 CG PRO A 11 0.572 9.193 -1.189 1.00 0.35 C ATOM 161 CD PRO A 11 -0.522 8.466 -1.936 1.00 0.33 C ATOM 162 HA PRO A 11 0.320 6.911 0.436 1.00 0.25 H ATOM 163 HB2 PRO A 11 -0.398 9.820 0.612 1.00 0.31 H ATOM 164 HB3 PRO A 11 1.171 9.041 0.856 1.00 0.35 H ATOM 165 HG2 PRO A 11 0.574 10.240 -1.457 1.00 0.42 H ATOM 166 HG3 PRO A 11 1.532 8.750 -1.408 1.00 0.45 H ATOM 167 HD2 PRO A 11 -1.230 9.172 -2.343 1.00 0.40 H ATOM 168 HD3 PRO A 11 -0.099 7.861 -2.723 1.00 0.44 H ATOM 169 N GLY A 12 -0.923 6.874 2.582 1.00 0.16 N ATOM 170 CA GLY A 12 -1.805 6.534 3.665 1.00 0.17 C ATOM 171 C GLY A 12 -2.215 5.090 3.540 1.00 0.11 C ATOM 172 O GLY A 12 -2.677 4.468 4.498 1.00 0.14 O ATOM 173 H GLY A 12 -0.002 6.531 2.585 1.00 0.21 H ATOM 174 HA2 GLY A 12 -1.295 6.688 4.606 1.00 0.23 H ATOM 175 HA3 GLY A 12 -2.683 7.159 3.625 1.00 0.20 H ATOM 176 N HIS A 13 -2.060 4.564 2.327 1.00 0.12 N ATOM 177 CA HIS A 13 -2.248 3.150 2.065 1.00 0.13 C ATOM 178 C HIS A 13 -1.208 2.666 1.065 1.00 0.18 C ATOM 179 O HIS A 13 -0.949 3.326 0.063 1.00 0.36 O ATOM 180 CB HIS A 13 -3.646 2.847 1.522 1.00 0.20 C ATOM 181 CG HIS A 13 -4.769 3.350 2.377 1.00 0.28 C ATOM 182 ND1 HIS A 13 -5.324 4.604 2.233 1.00 0.44 N ATOM 183 CD2 HIS A 13 -5.443 2.758 3.392 1.00 0.41 C ATOM 184 CE1 HIS A 13 -6.286 4.762 3.122 1.00 0.49 C ATOM 185 NE2 HIS A 13 -6.378 3.658 3.836 1.00 0.47 N ATOM 186 H HIS A 13 -1.811 5.156 1.579 1.00 0.16 H ATOM 187 HA HIS A 13 -2.108 2.619 2.996 1.00 0.13 H ATOM 188 HB2 HIS A 13 -3.746 3.287 0.545 1.00 0.25 H ATOM 189 HB3 HIS A 13 -3.750 1.770 1.439 1.00 0.22 H ATOM 190 HD1 HIS A 13 -5.051 5.286 1.578 1.00 0.58 H ATOM 191 HD2 HIS A 13 -5.276 1.763 3.778 1.00 0.56 H ATOM 192 HE1 HIS A 13 -6.895 5.645 3.244 1.00 0.63 H ATOM 193 HE2 HIS A 13 -7.090 3.468 4.489 1.00 0.61 H ATOM 194 N VAL A 14 -0.616 1.518 1.345 1.00 0.11 N ATOM 195 CA VAL A 14 0.392 0.938 0.465 1.00 0.13 C ATOM 196 C VAL A 14 -0.085 -0.400 -0.081 1.00 0.11 C ATOM 197 O VAL A 14 -0.938 -1.049 0.523 1.00 0.15 O ATOM 198 CB VAL A 14 1.734 0.738 1.200 1.00 0.19 C ATOM 199 CG1 VAL A 14 2.295 2.073 1.655 1.00 0.26 C ATOM 200 CG2 VAL A 14 1.565 -0.205 2.382 1.00 0.23 C ATOM 201 H VAL A 14 -0.861 1.045 2.168 1.00 0.16 H ATOM 202 HA VAL A 14 0.547 1.617 -0.359 1.00 0.16 H ATOM 203 HB VAL A 14 2.436 0.294 0.509 1.00 0.23 H ATOM 204 HG11 VAL A 14 3.240 1.915 2.155 1.00 1.02 H ATOM 205 HG12 VAL A 14 1.600 2.542 2.339 1.00 1.05 H ATOM 206 HG13 VAL A 14 2.444 2.712 0.797 1.00 1.07 H ATOM 207 HG21 VAL A 14 0.866 0.223 3.086 1.00 1.05 H ATOM 208 HG22 VAL A 14 2.519 -0.353 2.865 1.00 1.05 H ATOM 209 HG23 VAL A 14 1.187 -1.154 2.033 1.00 1.04 H ATOM 210 N VAL A 15 0.452 -0.807 -1.222 1.00 0.16 N ATOM 211 CA VAL A 15 0.042 -2.057 -1.840 1.00 0.17 C ATOM 212 C VAL A 15 0.763 -3.251 -1.217 1.00 0.18 C ATOM 213 O VAL A 15 1.938 -3.512 -1.477 1.00 0.28 O ATOM 214 CB VAL A 15 0.232 -2.051 -3.381 1.00 0.24 C ATOM 215 CG1 VAL A 15 1.675 -1.790 -3.778 1.00 0.42 C ATOM 216 CG2 VAL A 15 -0.263 -3.356 -3.984 1.00 0.37 C ATOM 217 H VAL A 15 1.141 -0.254 -1.656 1.00 0.23 H ATOM 218 HA VAL A 15 -1.015 -2.171 -1.643 1.00 0.14 H ATOM 219 HB VAL A 15 -0.369 -1.252 -3.786 1.00 0.42 H ATOM 220 HG11 VAL A 15 2.311 -2.546 -3.340 1.00 1.13 H ATOM 221 HG12 VAL A 15 1.976 -0.816 -3.420 1.00 1.12 H ATOM 222 HG13 VAL A 15 1.764 -1.822 -4.852 1.00 1.12 H ATOM 223 HG21 VAL A 15 -0.131 -3.331 -5.056 1.00 1.12 H ATOM 224 HG22 VAL A 15 -1.310 -3.486 -3.754 1.00 1.10 H ATOM 225 HG23 VAL A 15 0.299 -4.179 -3.570 1.00 1.09 H ATOM 226 N VAL A 16 0.050 -3.951 -0.360 1.00 0.14 N ATOM 227 CA VAL A 16 0.534 -5.189 0.206 1.00 0.18 C ATOM 228 C VAL A 16 -0.367 -6.336 -0.244 1.00 0.14 C ATOM 229 O VAL A 16 -1.553 -6.383 0.094 1.00 0.21 O ATOM 230 CB VAL A 16 0.610 -5.114 1.748 1.00 0.29 C ATOM 231 CG1 VAL A 16 -0.719 -4.671 2.347 1.00 0.51 C ATOM 232 CG2 VAL A 16 1.053 -6.448 2.332 1.00 0.55 C ATOM 233 H VAL A 16 -0.838 -3.619 -0.087 1.00 0.14 H ATOM 234 HA VAL A 16 1.531 -5.360 -0.177 1.00 0.24 H ATOM 235 HB VAL A 16 1.351 -4.373 2.007 1.00 0.50 H ATOM 236 HG11 VAL A 16 -0.960 -3.673 1.996 1.00 1.17 H ATOM 237 HG12 VAL A 16 -0.645 -4.666 3.423 1.00 1.17 H ATOM 238 HG13 VAL A 16 -1.497 -5.355 2.043 1.00 1.19 H ATOM 239 HG21 VAL A 16 0.340 -7.213 2.064 1.00 1.20 H ATOM 240 HG22 VAL A 16 1.109 -6.370 3.407 1.00 1.18 H ATOM 241 HG23 VAL A 16 2.025 -6.706 1.940 1.00 1.21 H ATOM 242 N LYS A 17 0.191 -7.225 -1.059 1.00 0.20 N ATOM 243 CA LYS A 17 -0.557 -8.352 -1.619 1.00 0.30 C ATOM 244 C LYS A 17 -1.709 -7.856 -2.497 1.00 0.25 C ATOM 245 O LYS A 17 -2.713 -8.546 -2.677 1.00 0.33 O ATOM 246 CB LYS A 17 -1.095 -9.256 -0.502 1.00 0.44 C ATOM 247 CG LYS A 17 -0.008 -9.868 0.371 1.00 0.92 C ATOM 248 CD LYS A 17 -0.595 -10.701 1.504 1.00 1.34 C ATOM 249 CE LYS A 17 -1.409 -9.850 2.470 1.00 2.04 C ATOM 250 NZ LYS A 17 -2.024 -10.664 3.551 1.00 2.67 N ATOM 251 H LYS A 17 1.138 -7.122 -1.295 1.00 0.27 H ATOM 252 HA LYS A 17 0.123 -8.921 -2.234 1.00 0.40 H ATOM 253 HB2 LYS A 17 -1.750 -8.675 0.130 1.00 0.83 H ATOM 254 HB3 LYS A 17 -1.663 -10.059 -0.949 1.00 0.81 H ATOM 255 HG2 LYS A 17 0.616 -10.502 -0.240 1.00 1.38 H ATOM 256 HG3 LYS A 17 0.588 -9.073 0.794 1.00 1.42 H ATOM 257 HD2 LYS A 17 -1.236 -11.460 1.083 1.00 1.78 H ATOM 258 HD3 LYS A 17 0.213 -11.171 2.047 1.00 1.80 H ATOM 259 HE2 LYS A 17 -0.759 -9.112 2.916 1.00 2.51 H ATOM 260 HE3 LYS A 17 -2.192 -9.351 1.919 1.00 2.53 H ATOM 261 HZ1 LYS A 17 -1.314 -11.116 4.093 1.00 3.04 H ATOM 262 HZ2 LYS A 17 -2.623 -11.362 3.161 1.00 3.03 H ATOM 263 HZ3 LYS A 17 -2.567 -10.080 4.156 1.00 3.03 H ATOM 264 N GLY A 18 -1.552 -6.654 -3.042 1.00 0.21 N ATOM 265 CA GLY A 18 -2.590 -6.066 -3.868 1.00 0.25 C ATOM 266 C GLY A 18 -3.550 -5.204 -3.070 1.00 0.26 C ATOM 267 O GLY A 18 -4.338 -4.451 -3.638 1.00 0.51 O ATOM 268 H GLY A 18 -0.713 -6.166 -2.893 1.00 0.23 H ATOM 269 HA2 GLY A 18 -2.127 -5.459 -4.632 1.00 0.29 H ATOM 270 HA3 GLY A 18 -3.147 -6.860 -4.344 1.00 0.28 H ATOM 271 N ARG A 19 -3.465 -5.292 -1.751 1.00 0.12 N ATOM 272 CA ARG A 19 -4.383 -4.598 -0.868 1.00 0.16 C ATOM 273 C ARG A 19 -3.728 -3.365 -0.271 1.00 0.12 C ATOM 274 O ARG A 19 -2.541 -3.366 0.036 1.00 0.18 O ATOM 275 CB ARG A 19 -4.852 -5.573 0.210 1.00 0.28 C ATOM 276 CG ARG A 19 -5.063 -4.988 1.601 1.00 0.68 C ATOM 277 CD ARG A 19 -6.303 -4.102 1.701 1.00 0.94 C ATOM 278 NE ARG A 19 -7.512 -4.750 1.188 1.00 1.06 N ATOM 279 CZ ARG A 19 -8.723 -4.611 1.725 1.00 1.47 C ATOM 280 NH1 ARG A 19 -8.900 -3.856 2.804 1.00 1.66 N ATOM 281 NH2 ARG A 19 -9.759 -5.226 1.173 1.00 1.91 N ATOM 282 H ARG A 19 -2.751 -5.835 -1.348 1.00 0.20 H ATOM 283 HA ARG A 19 -5.235 -4.291 -1.453 1.00 0.22 H ATOM 284 HB2 ARG A 19 -5.781 -5.982 -0.116 1.00 0.79 H ATOM 285 HB3 ARG A 19 -4.128 -6.373 0.287 1.00 0.80 H ATOM 286 HG2 ARG A 19 -5.160 -5.799 2.304 1.00 1.15 H ATOM 287 HG3 ARG A 19 -4.193 -4.400 1.852 1.00 1.10 H ATOM 288 HD2 ARG A 19 -6.461 -3.852 2.737 1.00 1.23 H ATOM 289 HD3 ARG A 19 -6.128 -3.198 1.143 1.00 1.42 H ATOM 290 HE ARG A 19 -7.419 -5.309 0.386 1.00 1.10 H ATOM 291 HH11 ARG A 19 -8.122 -3.381 3.224 1.00 1.58 H ATOM 292 HH12 ARG A 19 -9.817 -3.754 3.205 1.00 2.02 H ATOM 293 HH21 ARG A 19 -9.631 -5.794 0.353 1.00 1.98 H ATOM 294 HH22 ARG A 19 -10.677 -5.130 1.571 1.00 2.27 H ATOM 295 N CYS A 20 -4.504 -2.307 -0.141 1.00 0.12 N ATOM 296 CA CYS A 20 -3.989 -1.055 0.393 1.00 0.13 C ATOM 297 C CYS A 20 -3.989 -1.078 1.921 1.00 0.13 C ATOM 298 O CYS A 20 -5.040 -1.017 2.556 1.00 0.22 O ATOM 299 CB CYS A 20 -4.807 0.137 -0.104 1.00 0.24 C ATOM 300 SG CYS A 20 -5.597 -0.091 -1.727 1.00 1.00 S ATOM 301 H CYS A 20 -5.446 -2.372 -0.413 1.00 0.17 H ATOM 302 HA CYS A 20 -2.970 -0.946 0.051 1.00 0.16 H ATOM 303 HB2 CYS A 20 -5.581 0.366 0.609 1.00 0.96 H ATOM 304 HB3 CYS A 20 -4.146 0.985 -0.188 1.00 0.83 H ATOM 305 N ARG A 21 -2.801 -1.160 2.496 1.00 0.11 N ATOM 306 CA ARG A 21 -2.636 -1.192 3.946 1.00 0.15 C ATOM 307 C ARG A 21 -2.552 0.221 4.494 1.00 0.11 C ATOM 308 O ARG A 21 -1.946 1.082 3.872 1.00 0.15 O ATOM 309 CB ARG A 21 -1.366 -1.957 4.311 1.00 0.25 C ATOM 310 CG ARG A 21 -1.089 -2.016 5.805 1.00 0.75 C ATOM 311 CD ARG A 21 0.212 -2.742 6.101 1.00 0.82 C ATOM 312 NE ARG A 21 1.373 -2.060 5.526 1.00 0.79 N ATOM 313 CZ ARG A 21 2.411 -2.694 4.982 1.00 1.18 C ATOM 314 NH1 ARG A 21 2.414 -4.020 4.897 1.00 1.84 N ATOM 315 NH2 ARG A 21 3.443 -2.003 4.514 1.00 1.28 N ATOM 316 H ARG A 21 -2.001 -1.192 1.924 1.00 0.13 H ATOM 317 HA ARG A 21 -3.492 -1.690 4.374 1.00 0.22 H ATOM 318 HB2 ARG A 21 -1.452 -2.967 3.941 1.00 0.70 H ATOM 319 HB3 ARG A 21 -0.524 -1.480 3.831 1.00 0.73 H ATOM 320 HG2 ARG A 21 -1.025 -1.010 6.190 1.00 1.35 H ATOM 321 HG3 ARG A 21 -1.901 -2.539 6.290 1.00 1.24 H ATOM 322 HD2 ARG A 21 0.337 -2.806 7.172 1.00 1.08 H ATOM 323 HD3 ARG A 21 0.150 -3.736 5.689 1.00 1.18 H ATOM 324 HE ARG A 21 1.384 -1.078 5.564 1.00 0.97 H ATOM 325 HH11 ARG A 21 1.636 -4.551 5.245 1.00 1.95 H ATOM 326 HH12 ARG A 21 3.193 -4.499 4.486 1.00 2.35 H ATOM 327 HH21 ARG A 21 3.449 -0.999 4.572 1.00 1.21 H ATOM 328 HH22 ARG A 21 4.225 -2.478 4.102 1.00 1.69 H ATOM 329 N ILE A 22 -3.144 0.456 5.657 1.00 0.14 N ATOM 330 CA ILE A 22 -3.142 1.785 6.255 1.00 0.16 C ATOM 331 C ILE A 22 -1.755 2.112 6.813 1.00 0.17 C ATOM 332 O ILE A 22 -1.487 1.906 7.999 1.00 0.31 O ATOM 333 CB ILE A 22 -4.192 1.933 7.389 1.00 0.28 C ATOM 334 CG1 ILE A 22 -5.611 1.604 6.900 1.00 0.39 C ATOM 335 CG2 ILE A 22 -4.164 3.345 7.958 1.00 0.33 C ATOM 336 CD1 ILE A 22 -5.928 0.123 6.839 1.00 1.22 C ATOM 337 H ILE A 22 -3.576 -0.285 6.135 1.00 0.20 H ATOM 338 HA ILE A 22 -3.379 2.498 5.477 1.00 0.18 H ATOM 339 HB ILE A 22 -3.925 1.250 8.181 1.00 0.32 H ATOM 340 HG12 ILE A 22 -6.326 2.063 7.565 1.00 1.13 H ATOM 341 HG13 ILE A 22 -5.742 2.012 5.908 1.00 1.18 H ATOM 342 HG21 ILE A 22 -3.179 3.558 8.346 1.00 1.07 H ATOM 343 HG22 ILE A 22 -4.890 3.428 8.753 1.00 1.08 H ATOM 344 HG23 ILE A 22 -4.404 4.053 7.178 1.00 1.08 H ATOM 345 HD11 ILE A 22 -5.763 -0.320 7.809 1.00 1.81 H ATOM 346 HD12 ILE A 22 -5.290 -0.352 6.111 1.00 1.85 H ATOM 347 HD13 ILE A 22 -6.961 -0.012 6.554 1.00 1.82 H ATOM 348 N ALA A 23 -0.877 2.598 5.939 1.00 0.17 N ATOM 349 CA ALA A 23 0.470 2.988 6.320 1.00 0.23 C ATOM 350 C ALA A 23 1.174 3.670 5.148 1.00 0.40 C ATOM 351 O ALA A 23 0.701 4.743 4.711 1.00 0.64 O ATOM 352 CB ALA A 23 1.265 1.772 6.783 1.00 0.35 C ATOM 353 OXT ALA A 23 2.205 3.144 4.680 1.00 1.33 O ATOM 354 H ALA A 23 -1.148 2.697 4.999 1.00 0.25 H ATOM 355 HA ALA A 23 0.400 3.683 7.144 1.00 0.28 H ATOM 356 HB1 ALA A 23 0.763 1.316 7.624 1.00 1.12 H ATOM 357 HB2 ALA A 23 2.257 2.080 7.077 1.00 1.08 H ATOM 358 HB3 ALA A 23 1.333 1.058 5.975 1.00 1.09 H TER 359 ALA A 23 ENDMDL MODEL 7 ATOM 1 N THR A 1 17.111 -5.148 1.419 1.00 4.74 N ATOM 2 CA THR A 1 16.498 -3.901 0.925 1.00 4.28 C ATOM 3 C THR A 1 15.080 -4.160 0.421 1.00 3.85 C ATOM 4 O THR A 1 14.884 -4.660 -0.687 1.00 4.08 O ATOM 5 CB THR A 1 17.342 -3.291 -0.211 1.00 4.65 C ATOM 6 OG1 THR A 1 18.695 -3.115 0.226 1.00 5.17 O ATOM 7 CG2 THR A 1 16.775 -1.951 -0.651 1.00 4.88 C ATOM 8 H1 THR A 1 16.578 -5.514 2.181 1.00 4.93 H ATOM 9 H2 THR A 1 18.041 -4.974 1.732 1.00 4.98 H ATOM 10 H3 THR A 1 17.138 -5.829 0.687 1.00 5.05 H ATOM 11 HA THR A 1 16.457 -3.193 1.739 1.00 4.46 H ATOM 12 HB THR A 1 17.327 -3.966 -1.055 1.00 4.91 H ATOM 13 HG1 THR A 1 19.277 -3.067 -0.540 1.00 5.46 H ATOM 14 HG21 THR A 1 15.771 -2.090 -1.023 1.00 5.08 H ATOM 15 HG22 THR A 1 17.396 -1.537 -1.431 1.00 5.10 H ATOM 16 HG23 THR A 1 16.756 -1.277 0.190 1.00 5.13 H ATOM 17 N ILE A 2 14.095 -3.829 1.244 1.00 3.53 N ATOM 18 CA ILE A 2 12.698 -3.975 0.866 1.00 3.22 C ATOM 19 C ILE A 2 12.086 -2.603 0.607 1.00 2.69 C ATOM 20 O ILE A 2 12.085 -1.741 1.487 1.00 2.69 O ATOM 21 CB ILE A 2 11.887 -4.707 1.960 1.00 3.57 C ATOM 22 CG1 ILE A 2 12.494 -6.088 2.236 1.00 3.97 C ATOM 23 CG2 ILE A 2 10.426 -4.835 1.547 1.00 3.95 C ATOM 24 CD1 ILE A 2 11.814 -6.841 3.361 1.00 4.45 C ATOM 25 H ILE A 2 14.313 -3.469 2.133 1.00 3.73 H ATOM 26 HA ILE A 2 12.656 -4.559 -0.043 1.00 3.33 H ATOM 27 HB ILE A 2 11.930 -4.117 2.862 1.00 3.84 H ATOM 28 HG12 ILE A 2 12.419 -6.691 1.344 1.00 4.24 H ATOM 29 HG13 ILE A 2 13.536 -5.970 2.497 1.00 4.21 H ATOM 30 HG21 ILE A 2 9.875 -5.344 2.324 1.00 4.15 H ATOM 31 HG22 ILE A 2 10.360 -5.401 0.630 1.00 4.32 H ATOM 32 HG23 ILE A 2 10.007 -3.852 1.394 1.00 4.23 H ATOM 33 HD11 ILE A 2 10.772 -6.985 3.119 1.00 4.75 H ATOM 34 HD12 ILE A 2 11.896 -6.273 4.276 1.00 4.72 H ATOM 35 HD13 ILE A 2 12.289 -7.802 3.491 1.00 4.70 H ATOM 36 N ILE A 3 11.583 -2.393 -0.596 1.00 2.42 N ATOM 37 CA ILE A 3 11.023 -1.104 -0.968 1.00 1.99 C ATOM 38 C ILE A 3 9.527 -1.074 -0.688 1.00 1.72 C ATOM 39 O ILE A 3 8.782 -1.949 -1.129 1.00 1.80 O ATOM 40 CB ILE A 3 11.266 -0.759 -2.459 1.00 2.08 C ATOM 41 CG1 ILE A 3 12.764 -0.640 -2.771 1.00 2.47 C ATOM 42 CG2 ILE A 3 10.554 0.533 -2.836 1.00 1.90 C ATOM 43 CD1 ILE A 3 13.481 -1.968 -2.898 1.00 2.90 C ATOM 44 H ILE A 3 11.579 -3.125 -1.251 1.00 2.62 H ATOM 45 HA ILE A 3 11.504 -0.348 -0.363 1.00 2.04 H ATOM 46 HB ILE A 3 10.845 -1.553 -3.054 1.00 2.20 H ATOM 47 HG12 ILE A 3 12.887 -0.111 -3.702 1.00 2.70 H ATOM 48 HG13 ILE A 3 13.243 -0.081 -1.981 1.00 2.77 H ATOM 49 HG21 ILE A 3 10.755 0.767 -3.871 1.00 2.14 H ATOM 50 HG22 ILE A 3 10.910 1.337 -2.209 1.00 2.12 H ATOM 51 HG23 ILE A 3 9.489 0.413 -2.695 1.00 2.18 H ATOM 52 HD11 ILE A 3 13.052 -2.531 -3.714 1.00 3.27 H ATOM 53 HD12 ILE A 3 13.373 -2.526 -1.980 1.00 3.27 H ATOM 54 HD13 ILE A 3 14.527 -1.794 -3.092 1.00 3.15 H ATOM 55 N ASN A 4 9.099 -0.070 0.056 1.00 1.59 N ATOM 56 CA ASN A 4 7.691 0.104 0.361 1.00 1.47 C ATOM 57 C ASN A 4 7.004 0.875 -0.759 1.00 1.08 C ATOM 58 O ASN A 4 7.158 2.091 -0.884 1.00 1.14 O ATOM 59 CB ASN A 4 7.513 0.821 1.702 1.00 1.84 C ATOM 60 CG ASN A 4 6.061 1.149 1.998 1.00 1.94 C ATOM 61 OD1 ASN A 4 5.303 0.302 2.469 1.00 2.63 O ATOM 62 ND2 ASN A 4 5.672 2.388 1.744 1.00 2.01 N ATOM 63 H ASN A 4 9.747 0.579 0.400 1.00 1.72 H ATOM 64 HA ASN A 4 7.245 -0.878 0.426 1.00 1.58 H ATOM 65 HB2 ASN A 4 7.887 0.189 2.493 1.00 2.23 H ATOM 66 HB3 ASN A 4 8.075 1.743 1.688 1.00 2.18 H ATOM 67 HD21 ASN A 4 6.335 3.019 1.387 1.00 2.26 H ATOM 68 HD22 ASN A 4 4.742 2.628 1.928 1.00 2.28 H ATOM 69 N ALA A 5 6.263 0.151 -1.579 1.00 0.89 N ATOM 70 CA ALA A 5 5.579 0.735 -2.717 1.00 0.65 C ATOM 71 C ALA A 5 4.135 1.068 -2.368 1.00 0.56 C ATOM 72 O ALA A 5 3.466 0.315 -1.653 1.00 0.60 O ATOM 73 CB ALA A 5 5.631 -0.218 -3.903 1.00 0.80 C ATOM 74 H ALA A 5 6.163 -0.806 -1.409 1.00 1.05 H ATOM 75 HA ALA A 5 6.097 1.642 -2.991 1.00 0.71 H ATOM 76 HB1 ALA A 5 6.660 -0.447 -4.136 1.00 1.35 H ATOM 77 HB2 ALA A 5 5.164 0.247 -4.760 1.00 1.32 H ATOM 78 HB3 ALA A 5 5.105 -1.128 -3.657 1.00 1.34 H ATOM 79 N PRO A 6 3.645 2.211 -2.858 1.00 0.64 N ATOM 80 CA PRO A 6 2.262 2.628 -2.663 1.00 0.70 C ATOM 81 C PRO A 6 1.323 1.922 -3.634 1.00 0.57 C ATOM 82 O PRO A 6 1.739 1.471 -4.702 1.00 0.65 O ATOM 83 CB PRO A 6 2.312 4.128 -2.946 1.00 0.95 C ATOM 84 CG PRO A 6 3.431 4.300 -3.917 1.00 1.21 C ATOM 85 CD PRO A 6 4.415 3.190 -3.647 1.00 0.87 C ATOM 86 HA PRO A 6 1.933 2.456 -1.649 1.00 0.78 H ATOM 87 HB2 PRO A 6 1.370 4.449 -3.366 1.00 1.00 H ATOM 88 HB3 PRO A 6 2.504 4.664 -2.028 1.00 1.12 H ATOM 89 HG2 PRO A 6 3.053 4.225 -4.926 1.00 1.50 H ATOM 90 HG3 PRO A 6 3.901 5.260 -3.766 1.00 1.58 H ATOM 91 HD2 PRO A 6 4.751 2.754 -4.575 1.00 0.93 H ATOM 92 HD3 PRO A 6 5.255 3.560 -3.079 1.00 0.93 H ATOM 93 N ASN A 7 0.061 1.821 -3.256 1.00 0.50 N ATOM 94 CA ASN A 7 -0.932 1.137 -4.074 1.00 0.42 C ATOM 95 C ASN A 7 -1.661 2.161 -4.935 1.00 0.48 C ATOM 96 O ASN A 7 -1.263 3.327 -4.970 1.00 0.56 O ATOM 97 CB ASN A 7 -1.925 0.398 -3.167 1.00 0.30 C ATOM 98 CG ASN A 7 -2.552 -0.821 -3.820 1.00 0.38 C ATOM 99 OD1 ASN A 7 -2.709 -0.889 -5.037 1.00 0.74 O ATOM 100 ND2 ASN A 7 -2.906 -1.801 -3.004 1.00 0.19 N ATOM 101 H ASN A 7 -0.220 2.234 -2.412 1.00 0.58 H ATOM 102 HA ASN A 7 -0.422 0.427 -4.708 1.00 0.49 H ATOM 103 HB2 ASN A 7 -1.411 0.076 -2.274 1.00 0.29 H ATOM 104 HB3 ASN A 7 -2.716 1.080 -2.890 1.00 0.33 H ATOM 105 HD21 ASN A 7 -2.738 -1.684 -2.044 1.00 0.27 H ATOM 106 HD22 ASN A 7 -3.336 -2.599 -3.389 1.00 0.26 H ATOM 107 N ARG A 8 -2.705 1.743 -5.640 1.00 0.51 N ATOM 108 CA ARG A 8 -3.557 2.688 -6.349 1.00 0.62 C ATOM 109 C ARG A 8 -4.152 3.652 -5.338 1.00 0.51 C ATOM 110 O ARG A 8 -4.226 4.859 -5.569 1.00 0.57 O ATOM 111 CB ARG A 8 -4.670 1.962 -7.102 1.00 0.75 C ATOM 112 CG ARG A 8 -4.168 1.048 -8.205 1.00 1.16 C ATOM 113 CD ARG A 8 -5.312 0.297 -8.863 1.00 1.75 C ATOM 114 NE ARG A 8 -6.309 1.200 -9.432 1.00 2.48 N ATOM 115 CZ ARG A 8 -7.588 0.878 -9.616 1.00 3.42 C ATOM 116 NH1 ARG A 8 -8.032 -0.324 -9.265 1.00 3.83 N ATOM 117 NH2 ARG A 8 -8.425 1.762 -10.148 1.00 4.36 N ATOM 118 H ARG A 8 -2.907 0.781 -5.682 1.00 0.50 H ATOM 119 HA ARG A 8 -2.944 3.238 -7.049 1.00 0.73 H ATOM 120 HB2 ARG A 8 -5.233 1.368 -6.400 1.00 0.92 H ATOM 121 HB3 ARG A 8 -5.325 2.697 -7.544 1.00 1.07 H ATOM 122 HG2 ARG A 8 -3.664 1.643 -8.953 1.00 1.64 H ATOM 123 HG3 ARG A 8 -3.476 0.337 -7.781 1.00 1.67 H ATOM 124 HD2 ARG A 8 -4.912 -0.324 -9.652 1.00 2.27 H ATOM 125 HD3 ARG A 8 -5.787 -0.328 -8.122 1.00 2.17 H ATOM 126 HE ARG A 8 -6.005 2.101 -9.691 1.00 2.70 H ATOM 127 HH11 ARG A 8 -7.405 -0.994 -8.860 1.00 3.58 H ATOM 128 HH12 ARG A 8 -8.997 -0.568 -9.400 1.00 4.66 H ATOM 129 HH21 ARG A 8 -8.097 2.672 -10.411 1.00 4.53 H ATOM 130 HH22 ARG A 8 -9.390 1.525 -10.285 1.00 5.09 H ATOM 131 N CYS A 9 -4.567 3.088 -4.215 1.00 0.38 N ATOM 132 CA CYS A 9 -4.957 3.859 -3.050 1.00 0.29 C ATOM 133 C CYS A 9 -3.827 4.818 -2.678 1.00 0.22 C ATOM 134 O CYS A 9 -2.683 4.397 -2.506 1.00 0.30 O ATOM 135 CB CYS A 9 -5.250 2.891 -1.903 1.00 0.31 C ATOM 136 SG CYS A 9 -6.490 1.622 -2.323 1.00 0.45 S ATOM 137 H CYS A 9 -4.618 2.110 -4.169 1.00 0.38 H ATOM 138 HA CYS A 9 -5.846 4.419 -3.290 1.00 0.32 H ATOM 139 HB2 CYS A 9 -4.338 2.381 -1.633 1.00 0.28 H ATOM 140 HB3 CYS A 9 -5.616 3.439 -1.048 1.00 0.31 H ATOM 141 N PRO A 10 -4.135 6.122 -2.575 1.00 0.21 N ATOM 142 CA PRO A 10 -3.128 7.176 -2.373 1.00 0.27 C ATOM 143 C PRO A 10 -2.377 7.044 -1.047 1.00 0.19 C ATOM 144 O PRO A 10 -2.790 6.274 -0.172 1.00 0.15 O ATOM 145 CB PRO A 10 -3.956 8.467 -2.392 1.00 0.39 C ATOM 146 CG PRO A 10 -5.333 8.038 -2.033 1.00 0.38 C ATOM 147 CD PRO A 10 -5.497 6.677 -2.640 1.00 0.28 C ATOM 148 HA PRO A 10 -2.415 7.196 -3.182 1.00 0.37 H ATOM 149 HB2 PRO A 10 -3.558 9.164 -1.668 1.00 0.46 H ATOM 150 HB3 PRO A 10 -3.923 8.905 -3.378 1.00 0.49 H ATOM 151 HG2 PRO A 10 -5.431 7.984 -0.958 1.00 0.41 H ATOM 152 HG3 PRO A 10 -6.055 8.725 -2.446 1.00 0.47 H ATOM 153 HD2 PRO A 10 -6.187 6.084 -2.056 1.00 0.33 H ATOM 154 HD3 PRO A 10 -5.834 6.755 -3.663 1.00 0.32 H ATOM 155 N PRO A 11 -1.257 7.790 -0.896 1.00 0.22 N ATOM 156 CA PRO A 11 -0.456 7.822 0.333 1.00 0.21 C ATOM 157 C PRO A 11 -1.309 7.756 1.592 1.00 0.17 C ATOM 158 O PRO A 11 -2.276 8.507 1.749 1.00 0.24 O ATOM 159 CB PRO A 11 0.256 9.163 0.226 1.00 0.29 C ATOM 160 CG PRO A 11 0.485 9.337 -1.235 1.00 0.35 C ATOM 161 CD PRO A 11 -0.672 8.663 -1.933 1.00 0.33 C ATOM 162 HA PRO A 11 0.272 7.025 0.350 1.00 0.25 H ATOM 163 HB2 PRO A 11 -0.376 9.943 0.625 1.00 0.31 H ATOM 164 HB3 PRO A 11 1.186 9.127 0.770 1.00 0.35 H ATOM 165 HG2 PRO A 11 0.508 10.388 -1.478 1.00 0.42 H ATOM 166 HG3 PRO A 11 1.416 8.867 -1.517 1.00 0.45 H ATOM 167 HD2 PRO A 11 -1.390 9.398 -2.265 1.00 0.40 H ATOM 168 HD3 PRO A 11 -0.316 8.079 -2.769 1.00 0.44 H ATOM 169 N GLY A 12 -0.949 6.851 2.481 1.00 0.16 N ATOM 170 CA GLY A 12 -1.805 6.529 3.592 1.00 0.17 C ATOM 171 C GLY A 12 -2.215 5.081 3.513 1.00 0.11 C ATOM 172 O GLY A 12 -2.617 4.476 4.506 1.00 0.14 O ATOM 173 H GLY A 12 -0.084 6.389 2.385 1.00 0.21 H ATOM 174 HA2 GLY A 12 -1.273 6.705 4.517 1.00 0.23 H ATOM 175 HA3 GLY A 12 -2.687 7.150 3.559 1.00 0.20 H ATOM 176 N HIS A 13 -2.127 4.531 2.306 1.00 0.12 N ATOM 177 CA HIS A 13 -2.294 3.104 2.096 1.00 0.13 C ATOM 178 C HIS A 13 -1.274 2.601 1.083 1.00 0.18 C ATOM 179 O HIS A 13 -1.096 3.187 0.016 1.00 0.36 O ATOM 180 CB HIS A 13 -3.702 2.748 1.618 1.00 0.20 C ATOM 181 CG HIS A 13 -4.793 3.130 2.572 1.00 0.28 C ATOM 182 ND1 HIS A 13 -5.420 4.356 2.553 1.00 0.44 N ATOM 183 CD2 HIS A 13 -5.372 2.434 3.578 1.00 0.41 C ATOM 184 CE1 HIS A 13 -6.334 4.397 3.505 1.00 0.49 C ATOM 185 NE2 HIS A 13 -6.326 3.242 4.141 1.00 0.47 N ATOM 186 H HIS A 13 -1.947 5.110 1.529 1.00 0.16 H ATOM 187 HA HIS A 13 -2.111 2.613 3.041 1.00 0.13 H ATOM 188 HB2 HIS A 13 -3.888 3.238 0.681 1.00 0.25 H ATOM 189 HB3 HIS A 13 -3.752 1.676 1.473 1.00 0.22 H ATOM 190 HD1 HIS A 13 -5.225 5.093 1.935 1.00 0.58 H ATOM 191 HD2 HIS A 13 -5.126 1.426 3.883 1.00 0.56 H ATOM 192 HE1 HIS A 13 -6.982 5.231 3.721 1.00 0.63 H ATOM 193 HE2 HIS A 13 -7.036 2.935 4.749 1.00 0.61 H ATOM 194 N VAL A 14 -0.617 1.514 1.429 1.00 0.11 N ATOM 195 CA VAL A 14 0.420 0.934 0.589 1.00 0.13 C ATOM 196 C VAL A 14 -0.039 -0.405 0.036 1.00 0.11 C ATOM 197 O VAL A 14 -1.009 -0.981 0.528 1.00 0.15 O ATOM 198 CB VAL A 14 1.732 0.747 1.382 1.00 0.19 C ATOM 199 CG1 VAL A 14 2.181 2.072 1.975 1.00 0.26 C ATOM 200 CG2 VAL A 14 1.567 -0.301 2.474 1.00 0.23 C ATOM 201 H VAL A 14 -0.842 1.080 2.280 1.00 0.16 H ATOM 202 HA VAL A 14 0.604 1.608 -0.233 1.00 0.16 H ATOM 203 HB VAL A 14 2.496 0.407 0.698 1.00 0.23 H ATOM 204 HG11 VAL A 14 2.434 2.756 1.178 1.00 1.02 H ATOM 205 HG12 VAL A 14 3.044 1.912 2.602 1.00 1.05 H ATOM 206 HG13 VAL A 14 1.378 2.492 2.567 1.00 1.07 H ATOM 207 HG21 VAL A 14 1.295 -1.246 2.028 1.00 1.05 H ATOM 208 HG22 VAL A 14 0.790 0.011 3.156 1.00 1.05 H ATOM 209 HG23 VAL A 14 2.497 -0.410 3.012 1.00 1.04 H ATOM 210 N VAL A 15 0.641 -0.897 -0.989 1.00 0.16 N ATOM 211 CA VAL A 15 0.243 -2.144 -1.615 1.00 0.17 C ATOM 212 C VAL A 15 0.846 -3.350 -0.904 1.00 0.18 C ATOM 213 O VAL A 15 2.052 -3.587 -0.939 1.00 0.28 O ATOM 214 CB VAL A 15 0.587 -2.180 -3.124 1.00 0.24 C ATOM 215 CG1 VAL A 15 2.070 -1.950 -3.370 1.00 0.42 C ATOM 216 CG2 VAL A 15 0.135 -3.497 -3.740 1.00 0.37 C ATOM 217 H VAL A 15 1.427 -0.416 -1.329 1.00 0.23 H ATOM 218 HA VAL A 15 -0.833 -2.211 -1.526 1.00 0.14 H ATOM 219 HB VAL A 15 0.045 -1.381 -3.605 1.00 0.42 H ATOM 220 HG11 VAL A 15 2.350 -0.975 -3.000 1.00 1.13 H ATOM 221 HG12 VAL A 15 2.273 -2.006 -4.429 1.00 1.12 H ATOM 222 HG13 VAL A 15 2.641 -2.708 -2.853 1.00 1.12 H ATOM 223 HG21 VAL A 15 0.253 -3.453 -4.813 1.00 1.12 H ATOM 224 HG22 VAL A 15 -0.905 -3.675 -3.496 1.00 1.10 H ATOM 225 HG23 VAL A 15 0.737 -4.302 -3.346 1.00 1.09 H ATOM 226 N VAL A 16 -0.012 -4.094 -0.235 1.00 0.14 N ATOM 227 CA VAL A 16 0.369 -5.350 0.366 1.00 0.18 C ATOM 228 C VAL A 16 -0.391 -6.487 -0.311 1.00 0.14 C ATOM 229 O VAL A 16 -1.574 -6.713 -0.048 1.00 0.21 O ATOM 230 CB VAL A 16 0.121 -5.354 1.894 1.00 0.29 C ATOM 231 CG1 VAL A 16 -1.311 -4.956 2.229 1.00 0.51 C ATOM 232 CG2 VAL A 16 0.457 -6.712 2.491 1.00 0.55 C ATOM 233 H VAL A 16 -0.941 -3.784 -0.142 1.00 0.14 H ATOM 234 HA VAL A 16 1.427 -5.490 0.194 1.00 0.24 H ATOM 235 HB VAL A 16 0.779 -4.622 2.339 1.00 0.50 H ATOM 236 HG11 VAL A 16 -1.468 -5.040 3.293 1.00 1.17 H ATOM 237 HG12 VAL A 16 -1.996 -5.609 1.710 1.00 1.17 H ATOM 238 HG13 VAL A 16 -1.483 -3.933 1.917 1.00 1.19 H ATOM 239 HG21 VAL A 16 0.285 -6.689 3.557 1.00 1.20 H ATOM 240 HG22 VAL A 16 1.493 -6.945 2.298 1.00 1.18 H ATOM 241 HG23 VAL A 16 -0.172 -7.468 2.043 1.00 1.21 H ATOM 242 N LYS A 17 0.286 -7.162 -1.232 1.00 0.20 N ATOM 243 CA LYS A 17 -0.304 -8.273 -1.971 1.00 0.30 C ATOM 244 C LYS A 17 -1.544 -7.817 -2.740 1.00 0.25 C ATOM 245 O LYS A 17 -2.494 -8.578 -2.923 1.00 0.33 O ATOM 246 CB LYS A 17 -0.647 -9.416 -1.012 1.00 0.44 C ATOM 247 CG LYS A 17 0.568 -9.978 -0.290 1.00 0.92 C ATOM 248 CD LYS A 17 0.174 -10.995 0.766 1.00 1.34 C ATOM 249 CE LYS A 17 -0.543 -10.340 1.936 1.00 2.04 C ATOM 250 NZ LYS A 17 -1.044 -11.340 2.914 1.00 2.67 N ATOM 251 H LYS A 17 1.215 -6.906 -1.420 1.00 0.27 H ATOM 252 HA LYS A 17 0.431 -8.621 -2.680 1.00 0.40 H ATOM 253 HB2 LYS A 17 -1.346 -9.053 -0.275 1.00 0.83 H ATOM 254 HB3 LYS A 17 -1.109 -10.215 -1.572 1.00 0.81 H ATOM 255 HG2 LYS A 17 1.215 -10.455 -1.010 1.00 1.38 H ATOM 256 HG3 LYS A 17 1.097 -9.164 0.187 1.00 1.42 H ATOM 257 HD2 LYS A 17 -0.481 -11.726 0.319 1.00 1.78 H ATOM 258 HD3 LYS A 17 1.066 -11.484 1.130 1.00 1.80 H ATOM 259 HE2 LYS A 17 0.144 -9.676 2.435 1.00 2.51 H ATOM 260 HE3 LYS A 17 -1.378 -9.771 1.556 1.00 2.53 H ATOM 261 HZ1 LYS A 17 -0.284 -11.880 3.275 1.00 3.04 H ATOM 262 HZ2 LYS A 17 -1.696 -11.956 2.474 1.00 3.03 H ATOM 263 HZ3 LYS A 17 -1.505 -10.877 3.673 1.00 3.03 H ATOM 264 N GLY A 18 -1.526 -6.561 -3.178 1.00 0.21 N ATOM 265 CA GLY A 18 -2.637 -6.011 -3.934 1.00 0.25 C ATOM 266 C GLY A 18 -3.556 -5.154 -3.084 1.00 0.26 C ATOM 267 O GLY A 18 -4.286 -4.309 -3.605 1.00 0.51 O ATOM 268 H GLY A 18 -0.747 -6.002 -2.985 1.00 0.23 H ATOM 269 HA2 GLY A 18 -2.244 -5.409 -4.740 1.00 0.29 H ATOM 270 HA3 GLY A 18 -3.209 -6.825 -4.355 1.00 0.28 H ATOM 271 N ARG A 19 -3.498 -5.349 -1.776 1.00 0.12 N ATOM 272 CA ARG A 19 -4.368 -4.641 -0.845 1.00 0.16 C ATOM 273 C ARG A 19 -3.756 -3.313 -0.429 1.00 0.12 C ATOM 274 O ARG A 19 -2.539 -3.174 -0.379 1.00 0.18 O ATOM 275 CB ARG A 19 -4.603 -5.505 0.394 1.00 0.28 C ATOM 276 CG ARG A 19 -6.039 -5.956 0.581 1.00 0.68 C ATOM 277 CD ARG A 19 -6.940 -4.812 1.032 1.00 0.94 C ATOM 278 NE ARG A 19 -7.328 -3.936 -0.074 1.00 1.06 N ATOM 279 CZ ARG A 19 -7.853 -2.721 0.083 1.00 1.47 C ATOM 280 NH1 ARG A 19 -8.010 -2.209 1.299 1.00 1.66 N ATOM 281 NH2 ARG A 19 -8.211 -2.019 -0.980 1.00 1.91 N ATOM 282 H ARG A 19 -2.846 -5.988 -1.419 1.00 0.20 H ATOM 283 HA ARG A 19 -5.309 -4.457 -1.338 1.00 0.22 H ATOM 284 HB2 ARG A 19 -3.981 -6.385 0.323 1.00 0.79 H ATOM 285 HB3 ARG A 19 -4.310 -4.941 1.268 1.00 0.80 H ATOM 286 HG2 ARG A 19 -6.402 -6.338 -0.360 1.00 1.15 H ATOM 287 HG3 ARG A 19 -6.065 -6.739 1.322 1.00 1.10 H ATOM 288 HD2 ARG A 19 -7.832 -5.227 1.477 1.00 1.23 H ATOM 289 HD3 ARG A 19 -6.409 -4.227 1.773 1.00 1.42 H ATOM 290 HE ARG A 19 -7.211 -4.285 -0.988 1.00 1.10 H ATOM 291 HH11 ARG A 19 -7.734 -2.730 2.112 1.00 1.58 H ATOM 292 HH12 ARG A 19 -8.414 -1.294 1.408 1.00 2.02 H ATOM 293 HH21 ARG A 19 -8.088 -2.400 -1.902 1.00 1.98 H ATOM 294 HH22 ARG A 19 -8.610 -1.102 -0.869 1.00 2.27 H ATOM 295 N CYS A 20 -4.600 -2.331 -0.147 1.00 0.12 N ATOM 296 CA CYS A 20 -4.126 -1.046 0.335 1.00 0.13 C ATOM 297 C CYS A 20 -4.137 -1.031 1.859 1.00 0.13 C ATOM 298 O CYS A 20 -5.178 -0.846 2.487 1.00 0.22 O ATOM 299 CB CYS A 20 -4.986 0.095 -0.202 1.00 0.24 C ATOM 300 SG CYS A 20 -5.548 -0.126 -1.918 1.00 1.00 S ATOM 301 H CYS A 20 -5.562 -2.471 -0.270 1.00 0.17 H ATOM 302 HA CYS A 20 -3.110 -0.915 -0.008 1.00 0.16 H ATOM 303 HB2 CYS A 20 -5.854 0.209 0.421 1.00 0.96 H ATOM 304 HB3 CYS A 20 -4.411 1.005 -0.168 1.00 0.83 H ATOM 305 N ARG A 21 -2.970 -1.225 2.434 1.00 0.11 N ATOM 306 CA ARG A 21 -2.815 -1.309 3.882 1.00 0.15 C ATOM 307 C ARG A 21 -2.533 0.074 4.448 1.00 0.11 C ATOM 308 O ARG A 21 -1.868 0.878 3.804 1.00 0.15 O ATOM 309 CB ARG A 21 -1.668 -2.263 4.225 1.00 0.25 C ATOM 310 CG ARG A 21 -1.444 -2.459 5.715 1.00 0.75 C ATOM 311 CD ARG A 21 -0.307 -3.432 5.983 1.00 0.82 C ATOM 312 NE ARG A 21 0.959 -2.976 5.408 1.00 0.79 N ATOM 313 CZ ARG A 21 1.904 -3.794 4.943 1.00 1.18 C ATOM 314 NH1 ARG A 21 1.754 -5.108 5.030 1.00 1.84 N ATOM 315 NH2 ARG A 21 3.010 -3.294 4.411 1.00 1.28 N ATOM 316 H ARG A 21 -2.176 -1.297 1.863 1.00 0.13 H ATOM 317 HA ARG A 21 -3.737 -1.690 4.298 1.00 0.22 H ATOM 318 HB2 ARG A 21 -1.880 -3.224 3.791 1.00 0.70 H ATOM 319 HB3 ARG A 21 -0.756 -1.878 3.793 1.00 0.73 H ATOM 320 HG2 ARG A 21 -1.202 -1.506 6.161 1.00 1.35 H ATOM 321 HG3 ARG A 21 -2.350 -2.847 6.157 1.00 1.24 H ATOM 322 HD2 ARG A 21 -0.187 -3.540 7.051 1.00 1.08 H ATOM 323 HD3 ARG A 21 -0.562 -4.389 5.552 1.00 1.18 H ATOM 324 HE ARG A 21 1.109 -2.004 5.361 1.00 0.97 H ATOM 325 HH11 ARG A 21 0.929 -5.497 5.445 1.00 1.95 H ATOM 326 HH12 ARG A 21 2.470 -5.719 4.684 1.00 2.35 H ATOM 327 HH21 ARG A 21 3.139 -2.302 4.357 1.00 1.21 H ATOM 328 HH22 ARG A 21 3.722 -3.908 4.058 1.00 1.69 H ATOM 329 N ILE A 22 -3.025 0.341 5.649 1.00 0.14 N ATOM 330 CA ILE A 22 -2.900 1.663 6.251 1.00 0.16 C ATOM 331 C ILE A 22 -1.449 1.956 6.605 1.00 0.17 C ATOM 332 O ILE A 22 -0.889 1.344 7.519 1.00 0.31 O ATOM 333 CB ILE A 22 -3.746 1.804 7.534 1.00 0.28 C ATOM 334 CG1 ILE A 22 -5.244 1.584 7.263 1.00 0.39 C ATOM 335 CG2 ILE A 22 -3.535 3.177 8.157 1.00 0.33 C ATOM 336 CD1 ILE A 22 -5.657 0.135 7.099 1.00 1.22 C ATOM 337 H ILE A 22 -3.461 -0.376 6.158 1.00 0.20 H ATOM 338 HA ILE A 22 -3.243 2.394 5.533 1.00 0.18 H ATOM 339 HB ILE A 22 -3.393 1.064 8.234 1.00 0.32 H ATOM 340 HG12 ILE A 22 -5.810 1.992 8.086 1.00 1.13 H ATOM 341 HG13 ILE A 22 -5.515 2.110 6.358 1.00 1.18 H ATOM 342 HG21 ILE A 22 -3.891 3.937 7.478 1.00 1.07 H ATOM 343 HG22 ILE A 22 -2.483 3.327 8.345 1.00 1.08 H ATOM 344 HG23 ILE A 22 -4.080 3.239 9.085 1.00 1.08 H ATOM 345 HD11 ILE A 22 -5.150 -0.291 6.246 1.00 1.81 H ATOM 346 HD12 ILE A 22 -6.723 0.082 6.946 1.00 1.85 H ATOM 347 HD13 ILE A 22 -5.395 -0.416 7.989 1.00 1.82 H ATOM 348 N ALA A 23 -0.851 2.887 5.881 1.00 0.17 N ATOM 349 CA ALA A 23 0.524 3.270 6.117 1.00 0.23 C ATOM 350 C ALA A 23 0.852 4.569 5.387 1.00 0.40 C ATOM 351 O ALA A 23 1.078 4.536 4.157 1.00 0.64 O ATOM 352 CB ALA A 23 1.448 2.142 5.698 1.00 0.35 C ATOM 353 OXT ALA A 23 0.872 5.627 6.050 1.00 1.33 O ATOM 354 H ALA A 23 -1.348 3.330 5.159 1.00 0.25 H ATOM 355 HA ALA A 23 0.648 3.428 7.178 1.00 0.28 H ATOM 356 HB1 ALA A 23 1.129 1.230 6.188 1.00 1.12 H ATOM 357 HB2 ALA A 23 2.461 2.375 5.991 1.00 1.08 H ATOM 358 HB3 ALA A 23 1.398 2.011 4.630 1.00 1.09 H TER 359 ALA A 23 ENDMDL MODEL 8 ATOM 1 N THR A 1 14.294 1.038 7.992 1.00 4.74 N ATOM 2 CA THR A 1 14.170 1.361 6.558 1.00 4.28 C ATOM 3 C THR A 1 12.780 1.005 6.043 1.00 3.85 C ATOM 4 O THR A 1 12.555 -0.093 5.533 1.00 4.08 O ATOM 5 CB THR A 1 15.224 0.600 5.733 1.00 4.65 C ATOM 6 OG1 THR A 1 16.525 0.803 6.301 1.00 5.17 O ATOM 7 CG2 THR A 1 15.221 1.070 4.285 1.00 4.88 C ATOM 8 H1 THR A 1 15.217 1.253 8.311 1.00 4.93 H ATOM 9 H2 THR A 1 14.118 0.067 8.140 1.00 4.98 H ATOM 10 H3 THR A 1 13.633 1.567 8.522 1.00 5.05 H ATOM 11 HA THR A 1 14.332 2.420 6.430 1.00 4.46 H ATOM 12 HB THR A 1 14.986 -0.453 5.756 1.00 4.91 H ATOM 13 HG1 THR A 1 17.198 0.528 5.666 1.00 5.46 H ATOM 14 HG21 THR A 1 15.468 2.120 4.247 1.00 5.08 H ATOM 15 HG22 THR A 1 14.241 0.915 3.858 1.00 5.10 H ATOM 16 HG23 THR A 1 15.951 0.507 3.722 1.00 5.13 H ATOM 17 N ILE A 2 11.845 1.932 6.186 1.00 3.53 N ATOM 18 CA ILE A 2 10.492 1.720 5.705 1.00 3.22 C ATOM 19 C ILE A 2 10.389 2.127 4.242 1.00 2.69 C ATOM 20 O ILE A 2 10.711 3.261 3.876 1.00 2.69 O ATOM 21 CB ILE A 2 9.458 2.516 6.533 1.00 3.57 C ATOM 22 CG1 ILE A 2 9.577 2.160 8.017 1.00 3.97 C ATOM 23 CG2 ILE A 2 8.047 2.234 6.031 1.00 3.95 C ATOM 24 CD1 ILE A 2 8.642 2.949 8.912 1.00 4.45 C ATOM 25 H ILE A 2 12.070 2.782 6.623 1.00 3.73 H ATOM 26 HA ILE A 2 10.266 0.667 5.795 1.00 3.33 H ATOM 27 HB ILE A 2 9.657 3.568 6.403 1.00 3.84 H ATOM 28 HG12 ILE A 2 9.351 1.112 8.148 1.00 4.24 H ATOM 29 HG13 ILE A 2 10.589 2.349 8.344 1.00 4.21 H ATOM 30 HG21 ILE A 2 7.965 2.539 4.997 1.00 4.15 H ATOM 31 HG22 ILE A 2 7.335 2.787 6.627 1.00 4.32 H ATOM 32 HG23 ILE A 2 7.839 1.177 6.111 1.00 4.23 H ATOM 33 HD11 ILE A 2 8.860 4.003 8.819 1.00 4.75 H ATOM 34 HD12 ILE A 2 8.782 2.641 9.939 1.00 4.72 H ATOM 35 HD13 ILE A 2 7.620 2.765 8.617 1.00 4.70 H ATOM 36 N ILE A 3 9.966 1.194 3.405 1.00 2.42 N ATOM 37 CA ILE A 3 9.789 1.468 1.990 1.00 1.99 C ATOM 38 C ILE A 3 8.326 1.780 1.711 1.00 1.72 C ATOM 39 O ILE A 3 7.434 1.176 2.306 1.00 1.80 O ATOM 40 CB ILE A 3 10.253 0.279 1.116 1.00 2.08 C ATOM 41 CG1 ILE A 3 11.712 -0.068 1.430 1.00 2.47 C ATOM 42 CG2 ILE A 3 10.091 0.599 -0.367 1.00 1.90 C ATOM 43 CD1 ILE A 3 12.252 -1.225 0.619 1.00 2.90 C ATOM 44 H ILE A 3 9.754 0.300 3.747 1.00 2.62 H ATOM 45 HA ILE A 3 10.386 2.332 1.739 1.00 2.04 H ATOM 46 HB ILE A 3 9.630 -0.572 1.346 1.00 2.20 H ATOM 47 HG12 ILE A 3 12.329 0.794 1.227 1.00 2.70 H ATOM 48 HG13 ILE A 3 11.795 -0.326 2.475 1.00 2.77 H ATOM 49 HG21 ILE A 3 9.053 0.815 -0.578 1.00 2.14 H ATOM 50 HG22 ILE A 3 10.408 -0.247 -0.955 1.00 2.12 H ATOM 51 HG23 ILE A 3 10.695 1.458 -0.616 1.00 2.18 H ATOM 52 HD11 ILE A 3 11.668 -2.109 0.819 1.00 3.27 H ATOM 53 HD12 ILE A 3 13.281 -1.404 0.891 1.00 3.27 H ATOM 54 HD13 ILE A 3 12.195 -0.986 -0.433 1.00 3.15 H ATOM 55 N ASN A 4 8.082 2.733 0.832 1.00 1.59 N ATOM 56 CA ASN A 4 6.727 3.128 0.499 1.00 1.47 C ATOM 57 C ASN A 4 6.380 2.694 -0.915 1.00 1.08 C ATOM 58 O ASN A 4 6.779 3.332 -1.889 1.00 1.14 O ATOM 59 CB ASN A 4 6.564 4.643 0.636 1.00 1.84 C ATOM 60 CG ASN A 4 5.159 5.117 0.308 1.00 1.94 C ATOM 61 OD1 ASN A 4 4.857 5.480 -0.830 1.00 2.63 O ATOM 62 ND2 ASN A 4 4.291 5.119 1.302 1.00 2.01 N ATOM 63 H ASN A 4 8.834 3.174 0.381 1.00 1.72 H ATOM 64 HA ASN A 4 6.057 2.638 1.189 1.00 1.58 H ATOM 65 HB2 ASN A 4 6.793 4.934 1.649 1.00 2.23 H ATOM 66 HB3 ASN A 4 7.252 5.129 -0.038 1.00 2.18 H ATOM 67 HD21 ASN A 4 4.597 4.816 2.183 1.00 2.26 H ATOM 68 HD22 ASN A 4 3.375 5.424 1.121 1.00 2.28 H ATOM 69 N ALA A 5 5.664 1.591 -1.025 1.00 0.89 N ATOM 70 CA ALA A 5 5.177 1.143 -2.315 1.00 0.65 C ATOM 71 C ALA A 5 3.717 1.542 -2.472 1.00 0.56 C ATOM 72 O ALA A 5 2.854 1.088 -1.717 1.00 0.60 O ATOM 73 CB ALA A 5 5.346 -0.360 -2.461 1.00 0.80 C ATOM 74 H ALA A 5 5.453 1.071 -0.221 1.00 1.05 H ATOM 75 HA ALA A 5 5.761 1.630 -3.083 1.00 0.71 H ATOM 76 HB1 ALA A 5 6.389 -0.618 -2.352 1.00 1.35 H ATOM 77 HB2 ALA A 5 4.999 -0.669 -3.436 1.00 1.32 H ATOM 78 HB3 ALA A 5 4.770 -0.864 -1.698 1.00 1.34 H ATOM 79 N PRO A 6 3.422 2.394 -3.459 1.00 0.64 N ATOM 80 CA PRO A 6 2.078 2.918 -3.665 1.00 0.70 C ATOM 81 C PRO A 6 1.162 1.933 -4.382 1.00 0.57 C ATOM 82 O PRO A 6 1.592 1.180 -5.261 1.00 0.65 O ATOM 83 CB PRO A 6 2.320 4.157 -4.523 1.00 0.95 C ATOM 84 CG PRO A 6 3.551 3.847 -5.303 1.00 1.21 C ATOM 85 CD PRO A 6 4.386 2.931 -4.440 1.00 0.87 C ATOM 86 HA PRO A 6 1.624 3.211 -2.731 1.00 0.78 H ATOM 87 HB2 PRO A 6 1.472 4.318 -5.171 1.00 1.00 H ATOM 88 HB3 PRO A 6 2.463 5.017 -3.887 1.00 1.12 H ATOM 89 HG2 PRO A 6 3.285 3.350 -6.224 1.00 1.50 H ATOM 90 HG3 PRO A 6 4.091 4.759 -5.512 1.00 1.58 H ATOM 91 HD2 PRO A 6 4.809 2.136 -5.037 1.00 0.93 H ATOM 92 HD3 PRO A 6 5.168 3.490 -3.947 1.00 0.93 H ATOM 93 N ASN A 7 -0.098 1.933 -3.982 1.00 0.50 N ATOM 94 CA ASN A 7 -1.116 1.112 -4.621 1.00 0.42 C ATOM 95 C ASN A 7 -1.987 2.029 -5.478 1.00 0.48 C ATOM 96 O ASN A 7 -1.607 3.173 -5.725 1.00 0.56 O ATOM 97 CB ASN A 7 -1.959 0.406 -3.543 1.00 0.30 C ATOM 98 CG ASN A 7 -2.641 -0.864 -4.032 1.00 0.38 C ATOM 99 OD1 ASN A 7 -2.963 -1.003 -5.210 1.00 0.74 O ATOM 100 ND2 ASN A 7 -2.866 -1.805 -3.123 1.00 0.19 N ATOM 101 H ASN A 7 -0.358 2.514 -3.236 1.00 0.58 H ATOM 102 HA ASN A 7 -0.629 0.380 -5.248 1.00 0.49 H ATOM 103 HB2 ASN A 7 -1.320 0.146 -2.712 1.00 0.29 H ATOM 104 HB3 ASN A 7 -2.722 1.088 -3.197 1.00 0.33 H ATOM 105 HD21 ASN A 7 -2.585 -1.638 -2.193 1.00 0.27 H ATOM 106 HD22 ASN A 7 -3.311 -2.630 -3.415 1.00 0.26 H ATOM 107 N ARG A 8 -3.134 1.547 -5.942 1.00 0.51 N ATOM 108 CA ARG A 8 -4.108 2.425 -6.576 1.00 0.62 C ATOM 109 C ARG A 8 -4.551 3.466 -5.559 1.00 0.51 C ATOM 110 O ARG A 8 -4.771 4.633 -5.883 1.00 0.57 O ATOM 111 CB ARG A 8 -5.320 1.638 -7.074 1.00 0.75 C ATOM 112 CG ARG A 8 -5.002 0.622 -8.156 1.00 1.16 C ATOM 113 CD ARG A 8 -6.270 -0.014 -8.700 1.00 1.75 C ATOM 114 NE ARG A 8 -7.150 0.973 -9.328 1.00 2.48 N ATOM 115 CZ ARG A 8 -8.455 1.086 -9.076 1.00 3.42 C ATOM 116 NH1 ARG A 8 -9.042 0.285 -8.197 1.00 3.83 N ATOM 117 NH2 ARG A 8 -9.174 2.009 -9.703 1.00 4.36 N ATOM 118 H ARG A 8 -3.322 0.586 -5.865 1.00 0.50 H ATOM 119 HA ARG A 8 -3.630 2.921 -7.409 1.00 0.73 H ATOM 120 HB2 ARG A 8 -5.759 1.112 -6.238 1.00 0.92 H ATOM 121 HB3 ARG A 8 -6.046 2.333 -7.468 1.00 1.07 H ATOM 122 HG2 ARG A 8 -4.484 1.119 -8.962 1.00 1.64 H ATOM 123 HG3 ARG A 8 -4.370 -0.149 -7.740 1.00 1.67 H ATOM 124 HD2 ARG A 8 -5.998 -0.758 -9.435 1.00 2.27 H ATOM 125 HD3 ARG A 8 -6.797 -0.488 -7.887 1.00 2.17 H ATOM 126 HE ARG A 8 -6.742 1.583 -9.986 1.00 2.70 H ATOM 127 HH11 ARG A 8 -8.511 -0.416 -7.716 1.00 3.58 H ATOM 128 HH12 ARG A 8 -10.025 0.376 -8.012 1.00 4.66 H ATOM 129 HH21 ARG A 8 -8.737 2.625 -10.369 1.00 4.53 H ATOM 130 HH22 ARG A 8 -10.159 2.089 -9.528 1.00 5.09 H ATOM 131 N CYS A 9 -4.670 3.008 -4.322 1.00 0.38 N ATOM 132 CA CYS A 9 -4.954 3.869 -3.187 1.00 0.29 C ATOM 133 C CYS A 9 -3.779 4.817 -2.948 1.00 0.22 C ATOM 134 O CYS A 9 -2.619 4.408 -3.027 1.00 0.30 O ATOM 135 CB CYS A 9 -5.190 2.995 -1.954 1.00 0.31 C ATOM 136 SG CYS A 9 -6.440 1.693 -2.215 1.00 0.45 S ATOM 137 H CYS A 9 -4.562 2.049 -4.166 1.00 0.38 H ATOM 138 HA CYS A 9 -5.843 4.440 -3.402 1.00 0.32 H ATOM 139 HB2 CYS A 9 -4.263 2.511 -1.684 1.00 0.28 H ATOM 140 HB3 CYS A 9 -5.523 3.608 -1.132 1.00 0.31 H ATOM 141 N PRO A 10 -4.068 6.098 -2.683 1.00 0.21 N ATOM 142 CA PRO A 10 -3.036 7.115 -2.444 1.00 0.27 C ATOM 143 C PRO A 10 -2.337 6.935 -1.095 1.00 0.19 C ATOM 144 O PRO A 10 -2.762 6.101 -0.285 1.00 0.15 O ATOM 145 CB PRO A 10 -3.829 8.426 -2.471 1.00 0.39 C ATOM 146 CG PRO A 10 -5.199 8.039 -2.041 1.00 0.38 C ATOM 147 CD PRO A 10 -5.428 6.663 -2.598 1.00 0.28 C ATOM 148 HA PRO A 10 -2.298 7.122 -3.233 1.00 0.37 H ATOM 149 HB2 PRO A 10 -3.384 9.133 -1.787 1.00 0.46 H ATOM 150 HB3 PRO A 10 -3.830 8.832 -3.471 1.00 0.49 H ATOM 151 HG2 PRO A 10 -5.252 8.020 -0.962 1.00 0.41 H ATOM 152 HG3 PRO A 10 -5.923 8.733 -2.442 1.00 0.47 H ATOM 153 HD2 PRO A 10 -6.045 6.084 -1.929 1.00 0.33 H ATOM 154 HD3 PRO A 10 -5.881 6.724 -3.575 1.00 0.32 H ATOM 155 N PRO A 11 -1.245 7.694 -0.850 1.00 0.22 N ATOM 156 CA PRO A 11 -0.528 7.691 0.431 1.00 0.21 C ATOM 157 C PRO A 11 -1.462 7.624 1.634 1.00 0.17 C ATOM 158 O PRO A 11 -2.507 8.283 1.675 1.00 0.24 O ATOM 159 CB PRO A 11 0.220 9.016 0.393 1.00 0.29 C ATOM 160 CG PRO A 11 0.558 9.187 -1.045 1.00 0.35 C ATOM 161 CD PRO A 11 -0.597 8.601 -1.819 1.00 0.33 C ATOM 162 HA PRO A 11 0.180 6.878 0.483 1.00 0.25 H ATOM 163 HB2 PRO A 11 -0.420 9.808 0.753 1.00 0.31 H ATOM 164 HB3 PRO A 11 1.108 8.951 1.004 1.00 0.35 H ATOM 165 HG2 PRO A 11 0.668 10.235 -1.275 1.00 0.42 H ATOM 166 HG3 PRO A 11 1.469 8.656 -1.275 1.00 0.45 H ATOM 167 HD2 PRO A 11 -1.275 9.379 -2.133 1.00 0.40 H ATOM 168 HD3 PRO A 11 -0.233 8.050 -2.674 1.00 0.44 H ATOM 169 N GLY A 12 -1.076 6.820 2.605 1.00 0.16 N ATOM 170 CA GLY A 12 -1.962 6.479 3.689 1.00 0.17 C ATOM 171 C GLY A 12 -2.336 5.027 3.583 1.00 0.11 C ATOM 172 O GLY A 12 -2.764 4.397 4.549 1.00 0.14 O ATOM 173 H GLY A 12 -0.170 6.439 2.583 1.00 0.21 H ATOM 174 HA2 GLY A 12 -1.466 6.660 4.632 1.00 0.23 H ATOM 175 HA3 GLY A 12 -2.856 7.082 3.628 1.00 0.20 H ATOM 176 N HIS A 13 -2.169 4.497 2.377 1.00 0.12 N ATOM 177 CA HIS A 13 -2.329 3.078 2.122 1.00 0.13 C ATOM 178 C HIS A 13 -1.259 2.607 1.149 1.00 0.18 C ATOM 179 O HIS A 13 -1.049 3.219 0.103 1.00 0.36 O ATOM 180 CB HIS A 13 -3.701 2.753 1.537 1.00 0.20 C ATOM 181 CG HIS A 13 -4.867 3.216 2.355 1.00 0.28 C ATOM 182 ND1 HIS A 13 -5.477 4.439 2.175 1.00 0.44 N ATOM 183 CD2 HIS A 13 -5.551 2.602 3.346 1.00 0.41 C ATOM 184 CE1 HIS A 13 -6.486 4.553 3.018 1.00 0.49 C ATOM 185 NE2 HIS A 13 -6.553 3.453 3.740 1.00 0.47 N ATOM 186 H HIS A 13 -1.925 5.087 1.629 1.00 0.16 H ATOM 187 HA HIS A 13 -2.208 2.553 3.060 1.00 0.13 H ATOM 188 HB2 HIS A 13 -3.780 3.204 0.562 1.00 0.25 H ATOM 189 HB3 HIS A 13 -3.776 1.676 1.435 1.00 0.22 H ATOM 190 HD1 HIS A 13 -5.207 5.131 1.528 1.00 0.58 H ATOM 191 HD2 HIS A 13 -5.347 1.620 3.751 1.00 0.56 H ATOM 192 HE1 HIS A 13 -7.142 5.405 3.102 1.00 0.63 H ATOM 193 HE2 HIS A 13 -7.323 3.197 4.296 1.00 0.61 H ATOM 194 N VAL A 14 -0.600 1.519 1.493 1.00 0.11 N ATOM 195 CA VAL A 14 0.450 0.957 0.656 1.00 0.13 C ATOM 196 C VAL A 14 0.006 -0.373 0.068 1.00 0.11 C ATOM 197 O VAL A 14 -0.921 -1.004 0.576 1.00 0.15 O ATOM 198 CB VAL A 14 1.757 0.755 1.450 1.00 0.19 C ATOM 199 CG1 VAL A 14 2.259 2.082 1.993 1.00 0.26 C ATOM 200 CG2 VAL A 14 1.560 -0.247 2.581 1.00 0.23 C ATOM 201 H VAL A 14 -0.828 1.077 2.339 1.00 0.16 H ATOM 202 HA VAL A 14 0.640 1.646 -0.152 1.00 0.16 H ATOM 203 HB VAL A 14 2.506 0.362 0.778 1.00 0.23 H ATOM 204 HG11 VAL A 14 3.122 1.912 2.618 1.00 1.02 H ATOM 205 HG12 VAL A 14 1.477 2.552 2.576 1.00 1.05 H ATOM 206 HG13 VAL A 14 2.531 2.728 1.171 1.00 1.07 H ATOM 207 HG21 VAL A 14 1.250 -1.196 2.170 1.00 1.05 H ATOM 208 HG22 VAL A 14 0.803 0.118 3.257 1.00 1.05 H ATOM 209 HG23 VAL A 14 2.490 -0.374 3.116 1.00 1.04 H ATOM 210 N VAL A 15 0.659 -0.794 -1.005 1.00 0.16 N ATOM 211 CA VAL A 15 0.280 -2.022 -1.679 1.00 0.17 C ATOM 212 C VAL A 15 0.917 -3.248 -1.028 1.00 0.18 C ATOM 213 O VAL A 15 2.126 -3.470 -1.105 1.00 0.28 O ATOM 214 CB VAL A 15 0.618 -1.982 -3.187 1.00 0.24 C ATOM 215 CG1 VAL A 15 2.087 -1.678 -3.421 1.00 0.42 C ATOM 216 CG2 VAL A 15 0.217 -3.289 -3.857 1.00 0.37 C ATOM 217 H VAL A 15 1.416 -0.269 -1.348 1.00 0.23 H ATOM 218 HA VAL A 15 -0.793 -2.115 -1.588 1.00 0.14 H ATOM 219 HB VAL A 15 0.042 -1.186 -3.635 1.00 0.42 H ATOM 220 HG11 VAL A 15 2.691 -2.456 -2.977 1.00 1.13 H ATOM 221 HG12 VAL A 15 2.335 -0.729 -2.969 1.00 1.12 H ATOM 222 HG13 VAL A 15 2.280 -1.632 -4.481 1.00 1.12 H ATOM 223 HG21 VAL A 15 0.797 -4.099 -3.437 1.00 1.12 H ATOM 224 HG22 VAL A 15 0.404 -3.225 -4.917 1.00 1.10 H ATOM 225 HG23 VAL A 15 -0.834 -3.475 -3.685 1.00 1.09 H ATOM 226 N VAL A 16 0.089 -4.015 -0.348 1.00 0.14 N ATOM 227 CA VAL A 16 0.487 -5.297 0.191 1.00 0.18 C ATOM 228 C VAL A 16 -0.490 -6.363 -0.291 1.00 0.14 C ATOM 229 O VAL A 16 -1.697 -6.202 -0.143 1.00 0.21 O ATOM 230 CB VAL A 16 0.534 -5.253 1.734 1.00 0.29 C ATOM 231 CG1 VAL A 16 -0.791 -4.769 2.304 1.00 0.51 C ATOM 232 CG2 VAL A 16 0.912 -6.610 2.310 1.00 0.55 C ATOM 233 H VAL A 16 -0.828 -3.700 -0.183 1.00 0.14 H ATOM 234 HA VAL A 16 1.476 -5.528 -0.179 1.00 0.24 H ATOM 235 HB VAL A 16 1.294 -4.542 2.021 1.00 0.50 H ATOM 236 HG11 VAL A 16 -0.736 -4.756 3.382 1.00 1.17 H ATOM 237 HG12 VAL A 16 -1.582 -5.433 1.992 1.00 1.17 H ATOM 238 HG13 VAL A 16 -0.999 -3.769 1.940 1.00 1.19 H ATOM 239 HG21 VAL A 16 1.884 -6.898 1.942 1.00 1.20 H ATOM 240 HG22 VAL A 16 0.180 -7.346 2.009 1.00 1.18 H ATOM 241 HG23 VAL A 16 0.938 -6.549 3.388 1.00 1.21 H ATOM 242 N LYS A 17 0.041 -7.413 -0.919 1.00 0.20 N ATOM 243 CA LYS A 17 -0.755 -8.515 -1.490 1.00 0.30 C ATOM 244 C LYS A 17 -1.907 -8.008 -2.371 1.00 0.25 C ATOM 245 O LYS A 17 -2.960 -8.641 -2.472 1.00 0.33 O ATOM 246 CB LYS A 17 -1.283 -9.462 -0.396 1.00 0.44 C ATOM 247 CG LYS A 17 -2.399 -8.893 0.477 1.00 0.92 C ATOM 248 CD LYS A 17 -2.849 -9.879 1.543 1.00 1.34 C ATOM 249 CE LYS A 17 -3.295 -11.205 0.943 1.00 2.04 C ATOM 250 NZ LYS A 17 -4.380 -11.040 -0.062 1.00 2.67 N ATOM 251 H LYS A 17 1.018 -7.456 -1.005 1.00 0.27 H ATOM 252 HA LYS A 17 -0.086 -9.079 -2.125 1.00 0.40 H ATOM 253 HB2 LYS A 17 -1.661 -10.348 -0.874 1.00 0.83 H ATOM 254 HB3 LYS A 17 -0.461 -9.738 0.248 1.00 0.81 H ATOM 255 HG2 LYS A 17 -2.039 -7.998 0.961 1.00 1.38 H ATOM 256 HG3 LYS A 17 -3.241 -8.648 -0.153 1.00 1.42 H ATOM 257 HD2 LYS A 17 -2.025 -10.062 2.217 1.00 1.78 H ATOM 258 HD3 LYS A 17 -3.673 -9.446 2.092 1.00 1.80 H ATOM 259 HE2 LYS A 17 -2.448 -11.671 0.468 1.00 2.51 H ATOM 260 HE3 LYS A 17 -3.652 -11.840 1.740 1.00 2.53 H ATOM 261 HZ1 LYS A 17 -5.183 -10.617 0.360 1.00 3.04 H ATOM 262 HZ2 LYS A 17 -4.643 -11.929 -0.431 1.00 3.03 H ATOM 263 HZ3 LYS A 17 -4.070 -10.461 -0.817 1.00 3.03 H ATOM 264 N GLY A 18 -1.691 -6.874 -3.018 1.00 0.21 N ATOM 265 CA GLY A 18 -2.698 -6.306 -3.899 1.00 0.25 C ATOM 266 C GLY A 18 -3.745 -5.497 -3.155 1.00 0.26 C ATOM 267 O GLY A 18 -4.733 -5.059 -3.741 1.00 0.51 O ATOM 268 H GLY A 18 -0.830 -6.421 -2.904 1.00 0.23 H ATOM 269 HA2 GLY A 18 -2.210 -5.665 -4.618 1.00 0.29 H ATOM 270 HA3 GLY A 18 -3.190 -7.110 -4.427 1.00 0.28 H ATOM 271 N ARG A 19 -3.521 -5.289 -1.869 1.00 0.12 N ATOM 272 CA ARG A 19 -4.458 -4.554 -1.031 1.00 0.16 C ATOM 273 C ARG A 19 -3.781 -3.301 -0.476 1.00 0.12 C ATOM 274 O ARG A 19 -2.561 -3.270 -0.319 1.00 0.18 O ATOM 275 CB ARG A 19 -4.968 -5.458 0.098 1.00 0.28 C ATOM 276 CG ARG A 19 -4.348 -5.179 1.458 1.00 0.68 C ATOM 277 CD ARG A 19 -5.417 -5.015 2.522 1.00 0.94 C ATOM 278 NE ARG A 19 -6.386 -3.981 2.161 1.00 1.06 N ATOM 279 CZ ARG A 19 -7.122 -3.313 3.046 1.00 1.47 C ATOM 280 NH1 ARG A 19 -6.977 -3.544 4.347 1.00 1.66 N ATOM 281 NH2 ARG A 19 -8.003 -2.411 2.629 1.00 1.91 N ATOM 282 H ARG A 19 -2.696 -5.639 -1.464 1.00 0.20 H ATOM 283 HA ARG A 19 -5.294 -4.253 -1.640 1.00 0.22 H ATOM 284 HB2 ARG A 19 -6.035 -5.333 0.180 1.00 0.79 H ATOM 285 HB3 ARG A 19 -4.759 -6.488 -0.161 1.00 0.80 H ATOM 286 HG2 ARG A 19 -3.709 -6.006 1.728 1.00 1.15 H ATOM 287 HG3 ARG A 19 -3.766 -4.273 1.400 1.00 1.10 H ATOM 288 HD2 ARG A 19 -5.936 -5.955 2.642 1.00 1.23 H ATOM 289 HD3 ARG A 19 -4.943 -4.743 3.452 1.00 1.42 H ATOM 290 HE ARG A 19 -6.501 -3.782 1.202 1.00 1.10 H ATOM 291 HH11 ARG A 19 -6.313 -4.225 4.669 1.00 1.58 H ATOM 292 HH12 ARG A 19 -7.524 -3.033 5.015 1.00 2.02 H ATOM 293 HH21 ARG A 19 -8.116 -2.234 1.648 1.00 1.98 H ATOM 294 HH22 ARG A 19 -8.555 -1.900 3.293 1.00 2.27 H ATOM 295 N CYS A 20 -4.555 -2.260 -0.211 1.00 0.12 N ATOM 296 CA CYS A 20 -3.997 -1.021 0.311 1.00 0.13 C ATOM 297 C CYS A 20 -4.056 -1.009 1.836 1.00 0.13 C ATOM 298 O CYS A 20 -5.122 -0.851 2.425 1.00 0.22 O ATOM 299 CB CYS A 20 -4.745 0.187 -0.247 1.00 0.24 C ATOM 300 SG CYS A 20 -5.408 -0.027 -1.925 1.00 1.00 S ATOM 301 H CYS A 20 -5.520 -2.320 -0.373 1.00 0.17 H ATOM 302 HA CYS A 20 -2.963 -0.969 0.002 1.00 0.16 H ATOM 303 HB2 CYS A 20 -5.569 0.430 0.403 1.00 0.96 H ATOM 304 HB3 CYS A 20 -4.066 1.026 -0.278 1.00 0.83 H ATOM 305 N ARG A 21 -2.900 -1.168 2.461 1.00 0.11 N ATOM 306 CA ARG A 21 -2.803 -1.247 3.914 1.00 0.15 C ATOM 307 C ARG A 21 -2.476 0.120 4.496 1.00 0.11 C ATOM 308 O ARG A 21 -1.729 0.884 3.895 1.00 0.15 O ATOM 309 CB ARG A 21 -1.712 -2.243 4.307 1.00 0.25 C ATOM 310 CG ARG A 21 -1.642 -2.523 5.800 1.00 0.75 C ATOM 311 CD ARG A 21 -0.505 -3.473 6.143 1.00 0.82 C ATOM 312 NE ARG A 21 0.813 -2.891 5.877 1.00 0.79 N ATOM 313 CZ ARG A 21 1.948 -3.595 5.889 1.00 1.18 C ATOM 314 NH1 ARG A 21 1.921 -4.901 6.122 1.00 1.84 N ATOM 315 NH2 ARG A 21 3.113 -2.995 5.675 1.00 1.28 N ATOM 316 H ARG A 21 -2.079 -1.221 1.927 1.00 0.13 H ATOM 317 HA ARG A 21 -3.752 -1.583 4.300 1.00 0.22 H ATOM 318 HB2 ARG A 21 -1.893 -3.176 3.792 1.00 0.70 H ATOM 319 HB3 ARG A 21 -0.756 -1.850 3.992 1.00 0.73 H ATOM 320 HG2 ARG A 21 -1.488 -1.591 6.324 1.00 1.35 H ATOM 321 HG3 ARG A 21 -2.577 -2.964 6.117 1.00 1.24 H ATOM 322 HD2 ARG A 21 -0.569 -3.724 7.192 1.00 1.08 H ATOM 323 HD3 ARG A 21 -0.616 -4.372 5.554 1.00 1.18 H ATOM 324 HE ARG A 21 0.852 -1.926 5.695 1.00 0.97 H ATOM 325 HH11 ARG A 21 1.051 -5.369 6.291 1.00 1.95 H ATOM 326 HH12 ARG A 21 2.778 -5.429 6.126 1.00 2.35 H ATOM 327 HH21 ARG A 21 3.155 -2.007 5.504 1.00 1.21 H ATOM 328 HH22 ARG A 21 3.964 -3.531 5.687 1.00 1.69 H ATOM 329 N ILE A 22 -3.036 0.415 5.665 1.00 0.14 N ATOM 330 CA ILE A 22 -2.818 1.696 6.339 1.00 0.16 C ATOM 331 C ILE A 22 -1.335 1.959 6.583 1.00 0.17 C ATOM 332 O ILE A 22 -0.715 1.312 7.431 1.00 0.31 O ATOM 333 CB ILE A 22 -3.528 1.739 7.707 1.00 0.28 C ATOM 334 CG1 ILE A 22 -5.031 1.481 7.561 1.00 0.39 C ATOM 335 CG2 ILE A 22 -3.286 3.073 8.399 1.00 0.33 C ATOM 336 CD1 ILE A 22 -5.774 2.567 6.816 1.00 1.22 C ATOM 337 H ILE A 22 -3.617 -0.253 6.091 1.00 0.20 H ATOM 338 HA ILE A 22 -3.221 2.478 5.716 1.00 0.18 H ATOM 339 HB ILE A 22 -3.092 0.966 8.322 1.00 0.32 H ATOM 340 HG12 ILE A 22 -5.178 0.557 7.025 1.00 1.13 H ATOM 341 HG13 ILE A 22 -5.469 1.393 8.543 1.00 1.18 H ATOM 342 HG21 ILE A 22 -3.686 3.872 7.790 1.00 1.07 H ATOM 343 HG22 ILE A 22 -2.225 3.222 8.535 1.00 1.08 H ATOM 344 HG23 ILE A 22 -3.777 3.074 9.361 1.00 1.08 H ATOM 345 HD11 ILE A 22 -5.665 3.504 7.343 1.00 1.81 H ATOM 346 HD12 ILE A 22 -6.821 2.309 6.754 1.00 1.85 H ATOM 347 HD13 ILE A 22 -5.367 2.665 5.822 1.00 1.82 H ATOM 348 N ALA A 23 -0.778 2.908 5.846 1.00 0.17 N ATOM 349 CA ALA A 23 0.607 3.298 6.024 1.00 0.23 C ATOM 350 C ALA A 23 0.907 4.568 5.237 1.00 0.40 C ATOM 351 O ALA A 23 1.129 4.479 4.015 1.00 0.64 O ATOM 352 CB ALA A 23 1.525 2.161 5.610 1.00 0.35 C ATOM 353 OXT ALA A 23 0.912 5.657 5.846 1.00 1.33 O ATOM 354 H ALA A 23 -1.312 3.356 5.153 1.00 0.25 H ATOM 355 HA ALA A 23 0.764 3.495 7.074 1.00 0.28 H ATOM 356 HB1 ALA A 23 2.552 2.445 5.779 1.00 1.12 H ATOM 357 HB2 ALA A 23 1.378 1.940 4.566 1.00 1.08 H ATOM 358 HB3 ALA A 23 1.289 1.285 6.200 1.00 1.09 H TER 359 ALA A 23 ENDMDL MODEL 9 ATOM 1 N THR A 1 16.737 1.342 4.147 1.00 4.74 N ATOM 2 CA THR A 1 16.776 1.770 2.734 1.00 4.28 C ATOM 3 C THR A 1 15.819 0.926 1.891 1.00 3.85 C ATOM 4 O THR A 1 16.229 -0.030 1.236 1.00 4.08 O ATOM 5 CB THR A 1 18.207 1.647 2.174 1.00 4.65 C ATOM 6 OG1 THR A 1 19.138 2.244 3.087 1.00 5.17 O ATOM 7 CG2 THR A 1 18.327 2.331 0.821 1.00 4.88 C ATOM 8 H1 THR A 1 17.000 0.381 4.221 1.00 4.93 H ATOM 9 H2 THR A 1 15.816 1.451 4.514 1.00 4.98 H ATOM 10 H3 THR A 1 17.368 1.893 4.690 1.00 5.05 H ATOM 11 HA THR A 1 16.475 2.806 2.680 1.00 4.46 H ATOM 12 HB THR A 1 18.446 0.601 2.058 1.00 4.91 H ATOM 13 HG1 THR A 1 18.925 3.181 3.198 1.00 5.46 H ATOM 14 HG21 THR A 1 19.340 2.233 0.457 1.00 5.08 H ATOM 15 HG22 THR A 1 18.081 3.377 0.925 1.00 5.10 H ATOM 16 HG23 THR A 1 17.647 1.867 0.123 1.00 5.13 H ATOM 17 N ILE A 2 14.538 1.277 1.926 1.00 3.53 N ATOM 18 CA ILE A 2 13.516 0.537 1.195 1.00 3.22 C ATOM 19 C ILE A 2 12.609 1.502 0.434 1.00 2.69 C ATOM 20 O ILE A 2 12.301 2.590 0.921 1.00 2.69 O ATOM 21 CB ILE A 2 12.662 -0.334 2.153 1.00 3.57 C ATOM 22 CG1 ILE A 2 13.543 -1.362 2.869 1.00 3.97 C ATOM 23 CG2 ILE A 2 11.535 -1.034 1.402 1.00 3.95 C ATOM 24 CD1 ILE A 2 12.799 -2.206 3.882 1.00 4.45 C ATOM 25 H ILE A 2 14.270 2.064 2.453 1.00 3.73 H ATOM 26 HA ILE A 2 14.011 -0.113 0.489 1.00 3.33 H ATOM 27 HB ILE A 2 12.216 0.317 2.888 1.00 3.84 H ATOM 28 HG12 ILE A 2 13.974 -2.030 2.138 1.00 4.24 H ATOM 29 HG13 ILE A 2 14.338 -0.845 3.388 1.00 4.21 H ATOM 30 HG21 ILE A 2 11.955 -1.687 0.652 1.00 4.15 H ATOM 31 HG22 ILE A 2 10.906 -0.297 0.926 1.00 4.32 H ATOM 32 HG23 ILE A 2 10.947 -1.615 2.097 1.00 4.23 H ATOM 33 HD11 ILE A 2 13.481 -2.912 4.333 1.00 4.75 H ATOM 34 HD12 ILE A 2 12.001 -2.741 3.388 1.00 4.72 H ATOM 35 HD13 ILE A 2 12.384 -1.567 4.648 1.00 4.70 H ATOM 36 N ILE A 3 12.200 1.108 -0.765 1.00 2.42 N ATOM 37 CA ILE A 3 11.300 1.914 -1.577 1.00 1.99 C ATOM 38 C ILE A 3 9.852 1.554 -1.264 1.00 1.72 C ATOM 39 O ILE A 3 9.492 0.376 -1.228 1.00 1.80 O ATOM 40 CB ILE A 3 11.562 1.704 -3.089 1.00 2.08 C ATOM 41 CG1 ILE A 3 12.995 2.110 -3.453 1.00 2.47 C ATOM 42 CG2 ILE A 3 10.560 2.489 -3.924 1.00 1.90 C ATOM 43 CD1 ILE A 3 13.301 3.574 -3.211 1.00 2.90 C ATOM 44 H ILE A 3 12.506 0.243 -1.113 1.00 2.62 H ATOM 45 HA ILE A 3 11.467 2.955 -1.338 1.00 2.04 H ATOM 46 HB ILE A 3 11.428 0.656 -3.308 1.00 2.20 H ATOM 47 HG12 ILE A 3 13.686 1.528 -2.862 1.00 2.70 H ATOM 48 HG13 ILE A 3 13.164 1.904 -4.500 1.00 2.77 H ATOM 49 HG21 ILE A 3 10.636 3.539 -3.684 1.00 2.14 H ATOM 50 HG22 ILE A 3 9.561 2.142 -3.708 1.00 2.12 H ATOM 51 HG23 ILE A 3 10.773 2.343 -4.973 1.00 2.18 H ATOM 52 HD11 ILE A 3 12.615 4.182 -3.781 1.00 3.27 H ATOM 53 HD12 ILE A 3 14.314 3.785 -3.522 1.00 3.27 H ATOM 54 HD13 ILE A 3 13.194 3.797 -2.161 1.00 3.15 H ATOM 55 N ASN A 4 9.029 2.566 -1.027 1.00 1.59 N ATOM 56 CA ASN A 4 7.628 2.345 -0.707 1.00 1.47 C ATOM 57 C ASN A 4 6.835 2.100 -1.979 1.00 1.08 C ATOM 58 O ASN A 4 6.924 2.872 -2.934 1.00 1.14 O ATOM 59 CB ASN A 4 7.039 3.541 0.042 1.00 1.84 C ATOM 60 CG ASN A 4 5.609 3.292 0.478 1.00 1.94 C ATOM 61 OD1 ASN A 4 5.238 2.164 0.808 1.00 2.63 O ATOM 62 ND2 ASN A 4 4.796 4.337 0.465 1.00 2.01 N ATOM 63 H ASN A 4 9.367 3.483 -1.084 1.00 1.72 H ATOM 64 HA ASN A 4 7.563 1.470 -0.080 1.00 1.58 H ATOM 65 HB2 ASN A 4 7.634 3.741 0.920 1.00 2.23 H ATOM 66 HB3 ASN A 4 7.052 4.406 -0.603 1.00 2.18 H ATOM 67 HD21 ASN A 4 5.159 5.204 0.177 1.00 2.26 H ATOM 68 HD22 ASN A 4 3.865 4.202 0.734 1.00 2.28 H ATOM 69 N ALA A 5 6.065 1.028 -1.993 1.00 0.89 N ATOM 70 CA ALA A 5 5.279 0.680 -3.159 1.00 0.65 C ATOM 71 C ALA A 5 3.832 1.137 -2.991 1.00 0.56 C ATOM 72 O ALA A 5 3.132 0.698 -2.074 1.00 0.60 O ATOM 73 CB ALA A 5 5.359 -0.815 -3.407 1.00 0.80 C ATOM 74 H ALA A 5 6.018 0.458 -1.197 1.00 1.05 H ATOM 75 HA ALA A 5 5.710 1.185 -4.012 1.00 0.71 H ATOM 76 HB1 ALA A 5 6.396 -1.107 -3.493 1.00 1.35 H ATOM 77 HB2 ALA A 5 4.838 -1.058 -4.320 1.00 1.32 H ATOM 78 HB3 ALA A 5 4.905 -1.340 -2.580 1.00 1.34 H ATOM 79 N PRO A 6 3.370 2.030 -3.877 1.00 0.64 N ATOM 80 CA PRO A 6 2.018 2.577 -3.816 1.00 0.70 C ATOM 81 C PRO A 6 0.980 1.660 -4.459 1.00 0.57 C ATOM 82 O PRO A 6 1.317 0.742 -5.212 1.00 0.65 O ATOM 83 CB PRO A 6 2.151 3.876 -4.607 1.00 0.95 C ATOM 84 CG PRO A 6 3.194 3.584 -5.629 1.00 1.21 C ATOM 85 CD PRO A 6 4.139 2.590 -5.004 1.00 0.87 C ATOM 86 HA PRO A 6 1.726 2.798 -2.801 1.00 0.78 H ATOM 87 HB2 PRO A 6 1.203 4.120 -5.064 1.00 1.00 H ATOM 88 HB3 PRO A 6 2.456 4.673 -3.947 1.00 1.12 H ATOM 89 HG2 PRO A 6 2.733 3.159 -6.507 1.00 1.50 H ATOM 90 HG3 PRO A 6 3.720 4.491 -5.883 1.00 1.58 H ATOM 91 HD2 PRO A 6 4.395 1.817 -5.713 1.00 0.93 H ATOM 92 HD3 PRO A 6 5.030 3.089 -4.651 1.00 0.93 H ATOM 93 N ASN A 7 -0.281 1.920 -4.159 1.00 0.50 N ATOM 94 CA ASN A 7 -1.380 1.136 -4.704 1.00 0.42 C ATOM 95 C ASN A 7 -2.397 2.082 -5.340 1.00 0.48 C ATOM 96 O ASN A 7 -2.088 3.255 -5.569 1.00 0.56 O ATOM 97 CB ASN A 7 -2.036 0.304 -3.592 1.00 0.30 C ATOM 98 CG ASN A 7 -2.703 -0.960 -4.111 1.00 0.38 C ATOM 99 OD1 ASN A 7 -3.092 -1.044 -5.273 1.00 0.74 O ATOM 100 ND2 ASN A 7 -2.851 -1.952 -3.246 1.00 0.19 N ATOM 101 H ASN A 7 -0.483 2.670 -3.559 1.00 0.58 H ATOM 102 HA ASN A 7 -0.984 0.478 -5.461 1.00 0.49 H ATOM 103 HB2 ASN A 7 -1.282 0.020 -2.874 1.00 0.29 H ATOM 104 HB3 ASN A 7 -2.785 0.906 -3.099 1.00 0.33 H ATOM 105 HD21 ASN A 7 -2.527 -1.825 -2.329 1.00 0.27 H ATOM 106 HD22 ASN A 7 -3.289 -2.777 -3.560 1.00 0.26 H ATOM 107 N ARG A 8 -3.592 1.588 -5.637 1.00 0.51 N ATOM 108 CA ARG A 8 -4.653 2.439 -6.156 1.00 0.62 C ATOM 109 C ARG A 8 -5.051 3.460 -5.099 1.00 0.51 C ATOM 110 O ARG A 8 -5.333 4.620 -5.408 1.00 0.57 O ATOM 111 CB ARG A 8 -5.866 1.611 -6.573 1.00 0.75 C ATOM 112 CG ARG A 8 -5.573 0.608 -7.674 1.00 1.16 C ATOM 113 CD ARG A 8 -6.841 -0.093 -8.123 1.00 1.75 C ATOM 114 NE ARG A 8 -7.814 0.849 -8.675 1.00 2.48 N ATOM 115 CZ ARG A 8 -9.096 0.907 -8.308 1.00 3.42 C ATOM 116 NH1 ARG A 8 -9.571 0.080 -7.381 1.00 3.83 N ATOM 117 NH2 ARG A 8 -9.902 1.796 -8.873 1.00 4.36 N ATOM 118 H ARG A 8 -3.762 0.627 -5.511 1.00 0.50 H ATOM 119 HA ARG A 8 -4.266 2.961 -7.017 1.00 0.73 H ATOM 120 HB2 ARG A 8 -6.233 1.074 -5.714 1.00 0.92 H ATOM 121 HB3 ARG A 8 -6.638 2.278 -6.922 1.00 1.07 H ATOM 122 HG2 ARG A 8 -5.141 1.128 -8.515 1.00 1.64 H ATOM 123 HG3 ARG A 8 -4.875 -0.128 -7.303 1.00 1.67 H ATOM 124 HD2 ARG A 8 -6.588 -0.820 -8.881 1.00 2.27 H ATOM 125 HD3 ARG A 8 -7.278 -0.592 -7.274 1.00 2.17 H ATOM 126 HE ARG A 8 -7.490 1.476 -9.362 1.00 2.70 H ATOM 127 HH11 ARG A 8 -8.968 -0.596 -6.950 1.00 3.58 H ATOM 128 HH12 ARG A 8 -10.534 0.132 -7.103 1.00 4.66 H ATOM 129 HH21 ARG A 8 -9.550 2.425 -9.572 1.00 4.53 H ATOM 130 HH22 ARG A 8 -10.868 1.842 -8.608 1.00 5.09 H ATOM 131 N CYS A 9 -5.065 3.018 -3.852 1.00 0.38 N ATOM 132 CA CYS A 9 -5.258 3.913 -2.724 1.00 0.29 C ATOM 133 C CYS A 9 -4.042 4.831 -2.587 1.00 0.22 C ATOM 134 O CYS A 9 -2.902 4.370 -2.651 1.00 0.30 O ATOM 135 CB CYS A 9 -5.454 3.102 -1.442 1.00 0.31 C ATOM 136 SG CYS A 9 -6.833 1.908 -1.513 1.00 0.45 S ATOM 137 H CYS A 9 -4.951 2.058 -3.684 1.00 0.38 H ATOM 138 HA CYS A 9 -6.136 4.510 -2.911 1.00 0.32 H ATOM 139 HB2 CYS A 9 -4.550 2.548 -1.240 1.00 0.28 H ATOM 140 HB3 CYS A 9 -5.645 3.779 -0.623 1.00 0.31 H ATOM 141 N PRO A 10 -4.276 6.142 -2.418 1.00 0.21 N ATOM 142 CA PRO A 10 -3.203 7.147 -2.316 1.00 0.27 C ATOM 143 C PRO A 10 -2.395 7.021 -1.019 1.00 0.19 C ATOM 144 O PRO A 10 -2.694 6.156 -0.187 1.00 0.15 O ATOM 145 CB PRO A 10 -3.971 8.475 -2.354 1.00 0.39 C ATOM 146 CG PRO A 10 -5.322 8.144 -1.832 1.00 0.38 C ATOM 147 CD PRO A 10 -5.614 6.753 -2.312 1.00 0.28 C ATOM 148 HA PRO A 10 -2.533 7.092 -3.161 1.00 0.37 H ATOM 149 HB2 PRO A 10 -3.472 9.200 -1.727 1.00 0.46 H ATOM 150 HB3 PRO A 10 -4.017 8.838 -3.369 1.00 0.49 H ATOM 151 HG2 PRO A 10 -5.318 8.177 -0.753 1.00 0.41 H ATOM 152 HG3 PRO A 10 -6.050 8.837 -2.228 1.00 0.47 H ATOM 153 HD2 PRO A 10 -6.223 6.226 -1.592 1.00 0.33 H ATOM 154 HD3 PRO A 10 -6.102 6.780 -3.274 1.00 0.32 H ATOM 155 N PRO A 11 -1.341 7.859 -0.841 1.00 0.22 N ATOM 156 CA PRO A 11 -0.551 7.906 0.395 1.00 0.21 C ATOM 157 C PRO A 11 -1.419 7.818 1.645 1.00 0.17 C ATOM 158 O PRO A 11 -2.443 8.497 1.760 1.00 0.24 O ATOM 159 CB PRO A 11 0.139 9.261 0.304 1.00 0.29 C ATOM 160 CG PRO A 11 0.360 9.453 -1.154 1.00 0.35 C ATOM 161 CD PRO A 11 -0.814 8.807 -1.847 1.00 0.33 C ATOM 162 HA PRO A 11 0.190 7.122 0.418 1.00 0.25 H ATOM 163 HB2 PRO A 11 -0.507 10.025 0.713 1.00 0.31 H ATOM 164 HB3 PRO A 11 1.071 9.236 0.847 1.00 0.35 H ATOM 165 HG2 PRO A 11 0.397 10.507 -1.382 1.00 0.42 H ATOM 166 HG3 PRO A 11 1.281 8.972 -1.451 1.00 0.45 H ATOM 167 HD2 PRO A 11 -1.555 9.551 -2.099 1.00 0.40 H ATOM 168 HD3 PRO A 11 -0.487 8.286 -2.733 1.00 0.44 H ATOM 169 N GLY A 12 -1.004 6.978 2.574 1.00 0.16 N ATOM 170 CA GLY A 12 -1.853 6.623 3.686 1.00 0.17 C ATOM 171 C GLY A 12 -2.215 5.165 3.588 1.00 0.11 C ATOM 172 O GLY A 12 -2.644 4.538 4.557 1.00 0.14 O ATOM 173 H GLY A 12 -0.104 6.584 2.505 1.00 0.21 H ATOM 174 HA2 GLY A 12 -1.327 6.806 4.612 1.00 0.23 H ATOM 175 HA3 GLY A 12 -2.754 7.218 3.657 1.00 0.20 H ATOM 176 N HIS A 13 -2.051 4.636 2.381 1.00 0.12 N ATOM 177 CA HIS A 13 -2.156 3.211 2.137 1.00 0.13 C ATOM 178 C HIS A 13 -1.042 2.773 1.203 1.00 0.18 C ATOM 179 O HIS A 13 -0.635 3.532 0.324 1.00 0.36 O ATOM 180 CB HIS A 13 -3.490 2.825 1.500 1.00 0.20 C ATOM 181 CG HIS A 13 -4.706 3.214 2.275 1.00 0.28 C ATOM 182 ND1 HIS A 13 -5.215 4.493 2.296 1.00 0.44 N ATOM 183 CD2 HIS A 13 -5.536 2.468 3.033 1.00 0.41 C ATOM 184 CE1 HIS A 13 -6.304 4.517 3.038 1.00 0.49 C ATOM 185 NE2 HIS A 13 -6.523 3.300 3.498 1.00 0.47 N ATOM 186 H HIS A 13 -1.847 5.231 1.625 1.00 0.16 H ATOM 187 HA HIS A 13 -2.050 2.697 3.083 1.00 0.13 H ATOM 188 HB2 HIS A 13 -3.559 3.277 0.525 1.00 0.25 H ATOM 189 HB3 HIS A 13 -3.506 1.748 1.389 1.00 0.22 H ATOM 190 HD1 HIS A 13 -4.830 5.277 1.841 1.00 0.58 H ATOM 191 HD2 HIS A 13 -5.448 1.409 3.223 1.00 0.56 H ATOM 192 HE1 HIS A 13 -6.917 5.386 3.231 1.00 0.63 H ATOM 193 HE2 HIS A 13 -7.370 2.999 3.903 1.00 0.61 H ATOM 194 N VAL A 14 -0.557 1.559 1.389 1.00 0.11 N ATOM 195 CA VAL A 14 0.452 0.995 0.500 1.00 0.13 C ATOM 196 C VAL A 14 0.036 -0.407 0.073 1.00 0.11 C ATOM 197 O VAL A 14 -0.840 -1.012 0.693 1.00 0.15 O ATOM 198 CB VAL A 14 1.844 0.953 1.168 1.00 0.19 C ATOM 199 CG1 VAL A 14 2.228 2.329 1.685 1.00 0.26 C ATOM 200 CG2 VAL A 14 1.883 -0.070 2.289 1.00 0.23 C ATOM 201 H VAL A 14 -0.879 1.026 2.150 1.00 0.16 H ATOM 202 HA VAL A 14 0.509 1.624 -0.378 1.00 0.16 H ATOM 203 HB VAL A 14 2.568 0.662 0.420 1.00 0.23 H ATOM 204 HG11 VAL A 14 2.276 3.021 0.857 1.00 1.02 H ATOM 205 HG12 VAL A 14 3.192 2.277 2.169 1.00 1.05 H ATOM 206 HG13 VAL A 14 1.484 2.667 2.395 1.00 1.07 H ATOM 207 HG21 VAL A 14 1.705 -1.055 1.883 1.00 1.05 H ATOM 208 HG22 VAL A 14 1.119 0.163 3.015 1.00 1.05 H ATOM 209 HG23 VAL A 14 2.852 -0.046 2.765 1.00 1.04 H ATOM 210 N VAL A 15 0.644 -0.920 -0.988 1.00 0.16 N ATOM 211 CA VAL A 15 0.227 -2.199 -1.541 1.00 0.17 C ATOM 212 C VAL A 15 0.838 -3.379 -0.784 1.00 0.18 C ATOM 213 O VAL A 15 2.054 -3.555 -0.735 1.00 0.28 O ATOM 214 CB VAL A 15 0.544 -2.311 -3.053 1.00 0.24 C ATOM 215 CG1 VAL A 15 2.026 -2.114 -3.331 1.00 0.42 C ATOM 216 CG2 VAL A 15 0.063 -3.647 -3.602 1.00 0.37 C ATOM 217 H VAL A 15 1.394 -0.434 -1.400 1.00 0.23 H ATOM 218 HA VAL A 15 -0.847 -2.254 -1.430 1.00 0.14 H ATOM 219 HB VAL A 15 0.005 -1.527 -3.564 1.00 0.42 H ATOM 220 HG11 VAL A 15 2.596 -2.846 -2.778 1.00 1.13 H ATOM 221 HG12 VAL A 15 2.320 -1.122 -3.025 1.00 1.12 H ATOM 222 HG13 VAL A 15 2.212 -2.236 -4.388 1.00 1.12 H ATOM 223 HG21 VAL A 15 -0.994 -3.758 -3.407 1.00 1.12 H ATOM 224 HG22 VAL A 15 0.604 -4.448 -3.123 1.00 1.10 H ATOM 225 HG23 VAL A 15 0.237 -3.681 -4.668 1.00 1.09 H ATOM 226 N VAL A 16 -0.031 -4.156 -0.162 1.00 0.14 N ATOM 227 CA VAL A 16 0.348 -5.403 0.466 1.00 0.18 C ATOM 228 C VAL A 16 -0.458 -6.546 -0.148 1.00 0.14 C ATOM 229 O VAL A 16 -1.677 -6.628 0.021 1.00 0.21 O ATOM 230 CB VAL A 16 0.135 -5.344 1.996 1.00 0.29 C ATOM 231 CG1 VAL A 16 -1.290 -4.935 2.338 1.00 0.51 C ATOM 232 CG2 VAL A 16 0.485 -6.676 2.643 1.00 0.55 C ATOM 233 H VAL A 16 -0.971 -3.874 -0.113 1.00 0.14 H ATOM 234 HA VAL A 16 1.399 -5.568 0.273 1.00 0.24 H ATOM 235 HB VAL A 16 0.800 -4.592 2.395 1.00 0.50 H ATOM 236 HG11 VAL A 16 -1.473 -3.930 1.979 1.00 1.17 H ATOM 237 HG12 VAL A 16 -1.428 -4.970 3.408 1.00 1.17 H ATOM 238 HG13 VAL A 16 -1.982 -5.616 1.864 1.00 1.19 H ATOM 239 HG21 VAL A 16 1.523 -6.904 2.453 1.00 1.20 H ATOM 240 HG22 VAL A 16 -0.136 -7.453 2.224 1.00 1.18 H ATOM 241 HG23 VAL A 16 0.318 -6.615 3.707 1.00 1.21 H ATOM 242 N LYS A 17 0.226 -7.391 -0.914 1.00 0.20 N ATOM 243 CA LYS A 17 -0.407 -8.507 -1.618 1.00 0.30 C ATOM 244 C LYS A 17 -1.588 -8.039 -2.469 1.00 0.25 C ATOM 245 O LYS A 17 -2.582 -8.753 -2.627 1.00 0.33 O ATOM 246 CB LYS A 17 -0.859 -9.589 -0.635 1.00 0.44 C ATOM 247 CG LYS A 17 0.291 -10.292 0.068 1.00 0.92 C ATOM 248 CD LYS A 17 -0.193 -11.484 0.876 1.00 1.34 C ATOM 249 CE LYS A 17 -1.096 -11.063 2.024 1.00 2.04 C ATOM 250 NZ LYS A 17 -0.375 -10.232 3.021 1.00 2.67 N ATOM 251 H LYS A 17 1.196 -7.263 -1.010 1.00 0.27 H ATOM 252 HA LYS A 17 0.336 -8.932 -2.276 1.00 0.40 H ATOM 253 HB2 LYS A 17 -1.489 -9.136 0.116 1.00 0.83 H ATOM 254 HB3 LYS A 17 -1.431 -10.330 -1.171 1.00 0.81 H ATOM 255 HG2 LYS A 17 0.996 -10.635 -0.673 1.00 1.38 H ATOM 256 HG3 LYS A 17 0.774 -9.590 0.731 1.00 1.42 H ATOM 257 HD2 LYS A 17 -0.745 -12.146 0.226 1.00 1.78 H ATOM 258 HD3 LYS A 17 0.664 -12.005 1.277 1.00 1.80 H ATOM 259 HE2 LYS A 17 -1.922 -10.494 1.626 1.00 2.51 H ATOM 260 HE3 LYS A 17 -1.473 -11.950 2.513 1.00 2.53 H ATOM 261 HZ1 LYS A 17 0.353 -10.766 3.454 1.00 3.04 H ATOM 262 HZ2 LYS A 17 -1.006 -9.917 3.730 1.00 3.03 H ATOM 263 HZ3 LYS A 17 0.030 -9.434 2.577 1.00 3.03 H ATOM 264 N GLY A 18 -1.472 -6.829 -3.004 1.00 0.21 N ATOM 265 CA GLY A 18 -2.488 -6.295 -3.892 1.00 0.25 C ATOM 266 C GLY A 18 -3.441 -5.329 -3.209 1.00 0.26 C ATOM 267 O GLY A 18 -4.046 -4.484 -3.868 1.00 0.51 O ATOM 268 H GLY A 18 -0.680 -6.293 -2.796 1.00 0.23 H ATOM 269 HA2 GLY A 18 -1.999 -5.780 -4.705 1.00 0.29 H ATOM 270 HA3 GLY A 18 -3.058 -7.118 -4.297 1.00 0.28 H ATOM 271 N ARG A 19 -3.551 -5.412 -1.892 1.00 0.12 N ATOM 272 CA ARG A 19 -4.492 -4.572 -1.155 1.00 0.16 C ATOM 273 C ARG A 19 -3.782 -3.349 -0.593 1.00 0.12 C ATOM 274 O ARG A 19 -2.575 -3.372 -0.374 1.00 0.18 O ATOM 275 CB ARG A 19 -5.174 -5.381 -0.040 1.00 0.28 C ATOM 276 CG ARG A 19 -4.837 -4.925 1.374 1.00 0.68 C ATOM 277 CD ARG A 19 -6.096 -4.695 2.196 1.00 0.94 C ATOM 278 NE ARG A 19 -6.983 -3.706 1.576 1.00 1.06 N ATOM 279 CZ ARG A 19 -7.822 -2.923 2.258 1.00 1.47 C ATOM 280 NH1 ARG A 19 -7.864 -2.975 3.583 1.00 1.66 N ATOM 281 NH2 ARG A 19 -8.615 -2.078 1.613 1.00 1.91 N ATOM 282 H ARG A 19 -2.981 -6.044 -1.400 1.00 0.20 H ATOM 283 HA ARG A 19 -5.246 -4.237 -1.851 1.00 0.22 H ATOM 284 HB2 ARG A 19 -6.241 -5.308 -0.168 1.00 0.79 H ATOM 285 HB3 ARG A 19 -4.883 -6.417 -0.138 1.00 0.80 H ATOM 286 HG2 ARG A 19 -4.239 -5.684 1.855 1.00 1.15 H ATOM 287 HG3 ARG A 19 -4.278 -4.002 1.321 1.00 1.10 H ATOM 288 HD2 ARG A 19 -6.625 -5.631 2.287 1.00 1.23 H ATOM 289 HD3 ARG A 19 -5.811 -4.345 3.177 1.00 1.42 H ATOM 290 HE ARG A 19 -6.961 -3.634 0.595 1.00 1.10 H ATOM 291 HH11 ARG A 19 -7.261 -3.601 4.084 1.00 1.58 H ATOM 292 HH12 ARG A 19 -8.502 -2.389 4.090 1.00 2.02 H ATOM 293 HH21 ARG A 19 -8.587 -2.022 0.612 1.00 1.98 H ATOM 294 HH22 ARG A 19 -9.253 -1.494 2.124 1.00 2.27 H ATOM 295 N CYS A 20 -4.518 -2.269 -0.384 1.00 0.12 N ATOM 296 CA CYS A 20 -3.926 -1.061 0.158 1.00 0.13 C ATOM 297 C CYS A 20 -4.079 -1.025 1.679 1.00 0.13 C ATOM 298 O CYS A 20 -5.173 -0.835 2.207 1.00 0.22 O ATOM 299 CB CYS A 20 -4.534 0.183 -0.503 1.00 0.24 C ATOM 300 SG CYS A 20 -6.314 0.446 -0.195 1.00 1.00 S ATOM 301 H CYS A 20 -5.476 -2.285 -0.599 1.00 0.17 H ATOM 302 HA CYS A 20 -2.871 -1.092 -0.074 1.00 0.16 H ATOM 303 HB2 CYS A 20 -4.014 1.053 -0.150 1.00 0.96 H ATOM 304 HB3 CYS A 20 -4.398 0.109 -1.567 1.00 0.83 H ATOM 305 N ARG A 21 -2.969 -1.223 2.377 1.00 0.11 N ATOM 306 CA ARG A 21 -2.967 -1.275 3.834 1.00 0.15 C ATOM 307 C ARG A 21 -2.659 0.099 4.400 1.00 0.11 C ATOM 308 O ARG A 21 -2.093 0.936 3.710 1.00 0.15 O ATOM 309 CB ARG A 21 -1.923 -2.273 4.339 1.00 0.25 C ATOM 310 CG ARG A 21 -0.487 -1.809 4.153 1.00 0.75 C ATOM 311 CD ARG A 21 0.497 -2.705 4.891 1.00 0.82 C ATOM 312 NE ARG A 21 1.863 -2.180 4.822 1.00 0.79 N ATOM 313 CZ ARG A 21 2.480 -1.561 5.832 1.00 1.18 C ATOM 314 NH1 ARG A 21 1.873 -1.413 7.003 1.00 1.84 N ATOM 315 NH2 ARG A 21 3.709 -1.092 5.666 1.00 1.28 N ATOM 316 H ARG A 21 -2.118 -1.320 1.897 1.00 0.13 H ATOM 317 HA ARG A 21 -3.946 -1.584 4.163 1.00 0.22 H ATOM 318 HB2 ARG A 21 -2.087 -2.446 5.389 1.00 0.70 H ATOM 319 HB3 ARG A 21 -2.048 -3.203 3.807 1.00 0.73 H ATOM 320 HG2 ARG A 21 -0.248 -1.823 3.100 1.00 1.35 H ATOM 321 HG3 ARG A 21 -0.393 -0.801 4.530 1.00 1.24 H ATOM 322 HD2 ARG A 21 0.198 -2.775 5.925 1.00 1.08 H ATOM 323 HD3 ARG A 21 0.476 -3.686 4.443 1.00 1.18 H ATOM 324 HE ARG A 21 2.344 -2.289 3.970 1.00 0.97 H ATOM 325 HH11 ARG A 21 0.944 -1.765 7.140 1.00 1.95 H ATOM 326 HH12 ARG A 21 2.340 -0.946 7.758 1.00 2.35 H ATOM 327 HH21 ARG A 21 4.175 -1.200 4.783 1.00 1.21 H ATOM 328 HH22 ARG A 21 4.179 -0.623 6.418 1.00 1.69 H ATOM 329 N ILE A 22 -3.021 0.317 5.651 1.00 0.14 N ATOM 330 CA ILE A 22 -2.794 1.600 6.303 1.00 0.16 C ATOM 331 C ILE A 22 -1.304 1.869 6.482 1.00 0.17 C ATOM 332 O ILE A 22 -0.652 1.228 7.311 1.00 0.31 O ATOM 333 CB ILE A 22 -3.455 1.642 7.694 1.00 0.28 C ATOM 334 CG1 ILE A 22 -4.941 1.269 7.609 1.00 0.39 C ATOM 335 CG2 ILE A 22 -3.283 3.016 8.328 1.00 0.33 C ATOM 336 CD1 ILE A 22 -5.764 2.213 6.758 1.00 1.22 C ATOM 337 H ILE A 22 -3.453 -0.407 6.157 1.00 0.20 H ATOM 338 HA ILE A 22 -3.226 2.374 5.687 1.00 0.18 H ATOM 339 HB ILE A 22 -2.944 0.925 8.318 1.00 0.32 H ATOM 340 HG12 ILE A 22 -5.032 0.282 7.183 1.00 1.13 H ATOM 341 HG13 ILE A 22 -5.361 1.266 8.604 1.00 1.18 H ATOM 342 HG21 ILE A 22 -3.729 3.765 7.690 1.00 1.07 H ATOM 343 HG22 ILE A 22 -2.232 3.228 8.450 1.00 1.08 H ATOM 344 HG23 ILE A 22 -3.768 3.031 9.294 1.00 1.08 H ATOM 345 HD11 ILE A 22 -5.384 2.211 5.748 1.00 1.81 H ATOM 346 HD12 ILE A 22 -5.699 3.211 7.166 1.00 1.85 H ATOM 347 HD13 ILE A 22 -6.795 1.891 6.757 1.00 1.82 H ATOM 348 N ALA A 23 -0.772 2.804 5.704 1.00 0.17 N ATOM 349 CA ALA A 23 0.616 3.204 5.823 1.00 0.23 C ATOM 350 C ALA A 23 0.876 4.478 5.023 1.00 0.40 C ATOM 351 O ALA A 23 1.041 4.395 3.790 1.00 0.64 O ATOM 352 CB ALA A 23 1.528 2.074 5.373 1.00 0.35 C ATOM 353 OXT ALA A 23 0.909 5.566 5.632 1.00 1.33 O ATOM 354 H ALA A 23 -1.331 3.236 5.020 1.00 0.25 H ATOM 355 HA ALA A 23 0.815 3.402 6.866 1.00 0.28 H ATOM 356 HB1 ALA A 23 1.370 1.879 4.325 1.00 1.12 H ATOM 357 HB2 ALA A 23 1.295 1.183 5.944 1.00 1.08 H ATOM 358 HB3 ALA A 23 2.558 2.351 5.541 1.00 1.09 H TER 359 ALA A 23 ENDMDL MODEL 10 ATOM 1 N THR A 1 16.272 -4.622 2.625 1.00 4.74 N ATOM 2 CA THR A 1 15.550 -5.688 1.901 1.00 4.28 C ATOM 3 C THR A 1 14.043 -5.537 2.090 1.00 3.85 C ATOM 4 O THR A 1 13.588 -5.083 3.143 1.00 4.08 O ATOM 5 CB THR A 1 15.997 -7.091 2.376 1.00 4.65 C ATOM 6 OG1 THR A 1 15.281 -8.113 1.671 1.00 5.17 O ATOM 7 CG2 THR A 1 15.783 -7.259 3.875 1.00 4.88 C ATOM 8 H1 THR A 1 16.055 -4.657 3.599 1.00 4.93 H ATOM 9 H2 THR A 1 16.006 -3.725 2.272 1.00 4.98 H ATOM 10 H3 THR A 1 17.258 -4.732 2.507 1.00 5.05 H ATOM 11 HA THR A 1 15.779 -5.597 0.850 1.00 4.46 H ATOM 12 HB THR A 1 17.050 -7.199 2.169 1.00 4.91 H ATOM 13 HG1 THR A 1 15.096 -8.847 2.271 1.00 5.46 H ATOM 14 HG21 THR A 1 14.733 -7.148 4.103 1.00 5.08 H ATOM 15 HG22 THR A 1 16.347 -6.507 4.406 1.00 5.10 H ATOM 16 HG23 THR A 1 16.116 -8.239 4.178 1.00 5.13 H ATOM 17 N ILE A 2 13.285 -5.912 1.057 1.00 3.53 N ATOM 18 CA ILE A 2 11.823 -5.853 1.080 1.00 3.22 C ATOM 19 C ILE A 2 11.334 -4.406 1.093 1.00 2.69 C ATOM 20 O ILE A 2 11.209 -3.782 2.150 1.00 2.69 O ATOM 21 CB ILE A 2 11.226 -6.616 2.287 1.00 3.57 C ATOM 22 CG1 ILE A 2 11.740 -8.060 2.317 1.00 3.97 C ATOM 23 CG2 ILE A 2 9.703 -6.596 2.225 1.00 3.95 C ATOM 24 CD1 ILE A 2 11.286 -8.841 3.531 1.00 4.45 C ATOM 25 H ILE A 2 13.727 -6.233 0.242 1.00 3.73 H ATOM 26 HA ILE A 2 11.466 -6.327 0.176 1.00 3.33 H ATOM 27 HB ILE A 2 11.532 -6.111 3.190 1.00 3.84 H ATOM 28 HG12 ILE A 2 11.387 -8.578 1.440 1.00 4.24 H ATOM 29 HG13 ILE A 2 12.820 -8.050 2.313 1.00 4.21 H ATOM 30 HG21 ILE A 2 9.373 -7.089 1.323 1.00 4.15 H ATOM 31 HG22 ILE A 2 9.357 -5.573 2.224 1.00 4.32 H ATOM 32 HG23 ILE A 2 9.301 -7.111 3.085 1.00 4.23 H ATOM 33 HD11 ILE A 2 11.698 -9.838 3.492 1.00 4.75 H ATOM 34 HD12 ILE A 2 10.208 -8.897 3.540 1.00 4.72 H ATOM 35 HD13 ILE A 2 11.628 -8.344 4.428 1.00 4.70 H ATOM 36 N ILE A 3 11.067 -3.875 -0.089 1.00 2.42 N ATOM 37 CA ILE A 3 10.590 -2.508 -0.223 1.00 1.99 C ATOM 38 C ILE A 3 9.068 -2.462 -0.171 1.00 1.72 C ATOM 39 O ILE A 3 8.386 -3.170 -0.911 1.00 1.80 O ATOM 40 CB ILE A 3 11.075 -1.864 -1.541 1.00 2.08 C ATOM 41 CG1 ILE A 3 12.603 -1.853 -1.592 1.00 2.47 C ATOM 42 CG2 ILE A 3 10.527 -0.449 -1.683 1.00 1.90 C ATOM 43 CD1 ILE A 3 13.168 -1.337 -2.898 1.00 2.90 C ATOM 44 H ILE A 3 11.197 -4.418 -0.898 1.00 2.62 H ATOM 45 HA ILE A 3 10.987 -1.934 0.603 1.00 2.04 H ATOM 46 HB ILE A 3 10.698 -2.454 -2.361 1.00 2.20 H ATOM 47 HG12 ILE A 3 12.978 -1.223 -0.800 1.00 2.70 H ATOM 48 HG13 ILE A 3 12.967 -2.858 -1.446 1.00 2.77 H ATOM 49 HG21 ILE A 3 10.866 0.153 -0.853 1.00 2.14 H ATOM 50 HG22 ILE A 3 9.447 -0.480 -1.688 1.00 2.12 H ATOM 51 HG23 ILE A 3 10.880 -0.018 -2.608 1.00 2.18 H ATOM 52 HD11 ILE A 3 12.826 -1.964 -3.709 1.00 3.27 H ATOM 53 HD12 ILE A 3 14.246 -1.358 -2.857 1.00 3.27 H ATOM 54 HD13 ILE A 3 12.833 -0.323 -3.059 1.00 3.15 H ATOM 55 N ASN A 4 8.550 -1.634 0.717 1.00 1.59 N ATOM 56 CA ASN A 4 7.116 -1.450 0.857 1.00 1.47 C ATOM 57 C ASN A 4 6.679 -0.207 0.089 1.00 1.08 C ATOM 58 O ASN A 4 6.974 0.923 0.487 1.00 1.14 O ATOM 59 CB ASN A 4 6.747 -1.344 2.341 1.00 1.84 C ATOM 60 CG ASN A 4 5.300 -0.953 2.574 1.00 1.94 C ATOM 61 OD1 ASN A 4 4.405 -1.797 2.582 1.00 2.63 O ATOM 62 ND2 ASN A 4 5.064 0.328 2.796 1.00 2.01 N ATOM 63 H ASN A 4 9.153 -1.119 1.292 1.00 1.72 H ATOM 64 HA ASN A 4 6.628 -2.313 0.431 1.00 1.58 H ATOM 65 HB2 ASN A 4 6.917 -2.299 2.813 1.00 2.23 H ATOM 66 HB3 ASN A 4 7.379 -0.604 2.807 1.00 2.18 H ATOM 67 HD21 ASN A 4 5.827 0.946 2.795 1.00 2.26 H ATOM 68 HD22 ASN A 4 4.143 0.606 2.956 1.00 2.28 H ATOM 69 N ALA A 5 6.004 -0.427 -1.028 1.00 0.89 N ATOM 70 CA ALA A 5 5.597 0.652 -1.908 1.00 0.65 C ATOM 71 C ALA A 5 4.129 1.015 -1.703 1.00 0.56 C ATOM 72 O ALA A 5 3.319 0.176 -1.306 1.00 0.60 O ATOM 73 CB ALA A 5 5.841 0.251 -3.355 1.00 0.80 C ATOM 74 H ALA A 5 5.772 -1.345 -1.270 1.00 1.05 H ATOM 75 HA ALA A 5 6.209 1.511 -1.689 1.00 0.71 H ATOM 76 HB1 ALA A 5 6.885 0.012 -3.491 1.00 1.35 H ATOM 77 HB2 ALA A 5 5.572 1.070 -4.004 1.00 1.32 H ATOM 78 HB3 ALA A 5 5.240 -0.613 -3.595 1.00 1.34 H ATOM 79 N PRO A 6 3.781 2.289 -1.947 1.00 0.64 N ATOM 80 CA PRO A 6 2.391 2.750 -1.955 1.00 0.70 C ATOM 81 C PRO A 6 1.571 2.033 -3.024 1.00 0.57 C ATOM 82 O PRO A 6 2.111 1.586 -4.035 1.00 0.65 O ATOM 83 CB PRO A 6 2.497 4.241 -2.289 1.00 0.95 C ATOM 84 CG PRO A 6 3.904 4.615 -1.979 1.00 1.21 C ATOM 85 CD PRO A 6 4.725 3.382 -2.217 1.00 0.87 C ATOM 86 HA PRO A 6 1.924 2.622 -0.993 1.00 0.78 H ATOM 87 HB2 PRO A 6 2.271 4.394 -3.334 1.00 1.00 H ATOM 88 HB3 PRO A 6 1.800 4.798 -1.682 1.00 1.12 H ATOM 89 HG2 PRO A 6 4.225 5.412 -2.635 1.00 1.50 H ATOM 90 HG3 PRO A 6 3.982 4.924 -0.947 1.00 1.58 H ATOM 91 HD2 PRO A 6 5.072 3.343 -3.238 1.00 0.93 H ATOM 92 HD3 PRO A 6 5.559 3.348 -1.533 1.00 0.93 H ATOM 93 N ASN A 7 0.271 1.924 -2.801 1.00 0.50 N ATOM 94 CA ASN A 7 -0.607 1.256 -3.754 1.00 0.42 C ATOM 95 C ASN A 7 -1.287 2.309 -4.629 1.00 0.48 C ATOM 96 O ASN A 7 -0.960 3.491 -4.529 1.00 0.56 O ATOM 97 CB ASN A 7 -1.650 0.408 -3.006 1.00 0.30 C ATOM 98 CG ASN A 7 -2.211 -0.741 -3.835 1.00 0.38 C ATOM 99 OD1 ASN A 7 -2.281 -0.674 -5.059 1.00 0.74 O ATOM 100 ND2 ASN A 7 -2.619 -1.809 -3.167 1.00 0.19 N ATOM 101 H ASN A 7 -0.112 2.320 -1.988 1.00 0.58 H ATOM 102 HA ASN A 7 -0.001 0.615 -4.378 1.00 0.49 H ATOM 103 HB2 ASN A 7 -1.193 -0.010 -2.121 1.00 0.29 H ATOM 104 HB3 ASN A 7 -2.471 1.045 -2.709 1.00 0.33 H ATOM 105 HD21 ASN A 7 -2.539 -1.808 -2.189 1.00 0.27 H ATOM 106 HD22 ASN A 7 -2.994 -2.559 -3.680 1.00 0.26 H ATOM 107 N ARG A 8 -2.212 1.894 -5.485 1.00 0.51 N ATOM 108 CA ARG A 8 -2.992 2.834 -6.285 1.00 0.62 C ATOM 109 C ARG A 8 -3.779 3.756 -5.359 1.00 0.51 C ATOM 110 O ARG A 8 -3.999 4.933 -5.653 1.00 0.57 O ATOM 111 CB ARG A 8 -3.941 2.081 -7.225 1.00 0.75 C ATOM 112 CG ARG A 8 -4.967 1.213 -6.511 1.00 1.16 C ATOM 113 CD ARG A 8 -5.916 0.551 -7.494 1.00 1.75 C ATOM 114 NE ARG A 8 -6.959 -0.219 -6.818 1.00 2.48 N ATOM 115 CZ ARG A 8 -8.133 -0.522 -7.368 1.00 3.42 C ATOM 116 NH1 ARG A 8 -8.414 -0.125 -8.602 1.00 3.83 N ATOM 117 NH2 ARG A 8 -9.026 -1.223 -6.682 1.00 4.36 N ATOM 118 H ARG A 8 -2.372 0.929 -5.588 1.00 0.50 H ATOM 119 HA ARG A 8 -2.304 3.427 -6.870 1.00 0.73 H ATOM 120 HB2 ARG A 8 -4.473 2.798 -7.830 1.00 0.92 H ATOM 121 HB3 ARG A 8 -3.355 1.446 -7.869 1.00 1.07 H ATOM 122 HG2 ARG A 8 -4.451 0.447 -5.953 1.00 1.64 H ATOM 123 HG3 ARG A 8 -5.538 1.832 -5.834 1.00 1.67 H ATOM 124 HD2 ARG A 8 -6.382 1.316 -8.097 1.00 2.27 H ATOM 125 HD3 ARG A 8 -5.349 -0.111 -8.131 1.00 2.17 H ATOM 126 HE ARG A 8 -6.771 -0.525 -5.901 1.00 2.70 H ATOM 127 HH11 ARG A 8 -7.743 0.405 -9.127 1.00 3.58 H ATOM 128 HH12 ARG A 8 -9.300 -0.352 -9.017 1.00 4.66 H ATOM 129 HH21 ARG A 8 -8.821 -1.527 -5.748 1.00 4.53 H ATOM 130 HH22 ARG A 8 -9.913 -1.447 -7.092 1.00 5.09 H ATOM 131 N CYS A 9 -4.182 3.192 -4.232 1.00 0.38 N ATOM 132 CA CYS A 9 -4.843 3.931 -3.173 1.00 0.29 C ATOM 133 C CYS A 9 -3.938 5.056 -2.665 1.00 0.22 C ATOM 134 O CYS A 9 -2.714 4.921 -2.659 1.00 0.30 O ATOM 135 CB CYS A 9 -5.196 2.951 -2.052 1.00 0.31 C ATOM 136 SG CYS A 9 -6.290 1.603 -2.605 1.00 0.45 S ATOM 137 H CYS A 9 -4.029 2.234 -4.111 1.00 0.38 H ATOM 138 HA CYS A 9 -5.750 4.357 -3.573 1.00 0.32 H ATOM 139 HB2 CYS A 9 -4.285 2.504 -1.676 1.00 0.28 H ATOM 140 HB3 CYS A 9 -5.693 3.472 -1.249 1.00 0.31 H ATOM 141 N PRO A 10 -4.537 6.183 -2.245 1.00 0.21 N ATOM 142 CA PRO A 10 -3.798 7.396 -1.852 1.00 0.27 C ATOM 143 C PRO A 10 -2.795 7.154 -0.726 1.00 0.19 C ATOM 144 O PRO A 10 -2.995 6.265 0.112 1.00 0.15 O ATOM 145 CB PRO A 10 -4.901 8.350 -1.375 1.00 0.39 C ATOM 146 CG PRO A 10 -6.085 7.483 -1.116 1.00 0.38 C ATOM 147 CD PRO A 10 -5.989 6.368 -2.107 1.00 0.28 C ATOM 148 HA PRO A 10 -3.287 7.833 -2.697 1.00 0.37 H ATOM 149 HB2 PRO A 10 -4.577 8.853 -0.476 1.00 0.46 H ATOM 150 HB3 PRO A 10 -5.108 9.077 -2.144 1.00 0.49 H ATOM 151 HG2 PRO A 10 -6.045 7.096 -0.108 1.00 0.41 H ATOM 152 HG3 PRO A 10 -6.994 8.046 -1.270 1.00 0.47 H ATOM 153 HD2 PRO A 10 -6.459 5.476 -1.719 1.00 0.33 H ATOM 154 HD3 PRO A 10 -6.434 6.655 -3.047 1.00 0.32 H ATOM 155 N PRO A 11 -1.700 7.953 -0.703 1.00 0.22 N ATOM 156 CA PRO A 11 -0.664 7.885 0.336 1.00 0.21 C ATOM 157 C PRO A 11 -1.270 7.785 1.726 1.00 0.17 C ATOM 158 O PRO A 11 -2.137 8.580 2.094 1.00 0.24 O ATOM 159 CB PRO A 11 0.088 9.202 0.166 1.00 0.29 C ATOM 160 CG PRO A 11 -0.048 9.519 -1.282 1.00 0.35 C ATOM 161 CD PRO A 11 -1.398 8.998 -1.703 1.00 0.33 C ATOM 162 HA PRO A 11 0.008 7.055 0.174 1.00 0.25 H ATOM 163 HB2 PRO A 11 -0.367 9.961 0.784 1.00 0.31 H ATOM 164 HB3 PRO A 11 1.122 9.070 0.446 1.00 0.35 H ATOM 165 HG2 PRO A 11 0.003 10.587 -1.429 1.00 0.42 H ATOM 166 HG3 PRO A 11 0.734 9.024 -1.840 1.00 0.45 H ATOM 167 HD2 PRO A 11 -2.134 9.787 -1.668 1.00 0.40 H ATOM 168 HD3 PRO A 11 -1.344 8.576 -2.695 1.00 0.44 H ATOM 169 N GLY A 12 -0.803 6.818 2.491 1.00 0.16 N ATOM 170 CA GLY A 12 -1.499 6.425 3.686 1.00 0.17 C ATOM 171 C GLY A 12 -2.026 5.025 3.509 1.00 0.11 C ATOM 172 O GLY A 12 -2.536 4.407 4.439 1.00 0.14 O ATOM 173 H GLY A 12 0.035 6.361 2.247 1.00 0.21 H ATOM 174 HA2 GLY A 12 -0.820 6.454 4.528 1.00 0.23 H ATOM 175 HA3 GLY A 12 -2.325 7.096 3.863 1.00 0.20 H ATOM 176 N HIS A 13 -1.911 4.537 2.278 1.00 0.12 N ATOM 177 CA HIS A 13 -2.213 3.153 1.957 1.00 0.13 C ATOM 178 C HIS A 13 -1.146 2.608 1.021 1.00 0.18 C ATOM 179 O HIS A 13 -0.833 3.212 -0.006 1.00 0.36 O ATOM 180 CB HIS A 13 -3.576 2.993 1.290 1.00 0.20 C ATOM 181 CG HIS A 13 -4.715 3.627 2.027 1.00 0.28 C ATOM 182 ND1 HIS A 13 -5.070 4.951 1.870 1.00 0.44 N ATOM 183 CD2 HIS A 13 -5.591 3.108 2.917 1.00 0.41 C ATOM 184 CE1 HIS A 13 -6.116 5.214 2.632 1.00 0.49 C ATOM 185 NE2 HIS A 13 -6.453 4.114 3.277 1.00 0.47 N ATOM 186 H HIS A 13 -1.613 5.136 1.558 1.00 0.16 H ATOM 187 HA HIS A 13 -2.197 2.586 2.876 1.00 0.13 H ATOM 188 HB2 HIS A 13 -3.538 3.427 0.304 1.00 0.25 H ATOM 189 HB3 HIS A 13 -3.784 1.932 1.205 1.00 0.22 H ATOM 190 HD1 HIS A 13 -4.616 5.605 1.292 1.00 0.58 H ATOM 191 HD2 HIS A 13 -5.609 2.090 3.279 1.00 0.56 H ATOM 192 HE1 HIS A 13 -6.612 6.169 2.713 1.00 0.63 H ATOM 193 HE2 HIS A 13 -7.300 3.988 3.763 1.00 0.61 H ATOM 194 N VAL A 14 -0.602 1.464 1.374 1.00 0.11 N ATOM 195 CA VAL A 14 0.463 0.852 0.601 1.00 0.13 C ATOM 196 C VAL A 14 0.047 -0.527 0.118 1.00 0.11 C ATOM 197 O VAL A 14 -0.908 -1.106 0.634 1.00 0.15 O ATOM 198 CB VAL A 14 1.757 0.751 1.430 1.00 0.19 C ATOM 199 CG1 VAL A 14 2.212 2.137 1.862 1.00 0.26 C ATOM 200 CG2 VAL A 14 1.552 -0.152 2.639 1.00 0.23 C ATOM 201 H VAL A 14 -0.929 1.015 2.184 1.00 0.16 H ATOM 202 HA VAL A 14 0.650 1.478 -0.256 1.00 0.16 H ATOM 203 HB VAL A 14 2.528 0.319 0.808 1.00 0.23 H ATOM 204 HG11 VAL A 14 2.411 2.739 0.990 1.00 1.02 H ATOM 205 HG12 VAL A 14 3.107 2.057 2.456 1.00 1.05 H ATOM 206 HG13 VAL A 14 1.432 2.604 2.449 1.00 1.07 H ATOM 207 HG21 VAL A 14 1.290 -1.145 2.305 1.00 1.05 H ATOM 208 HG22 VAL A 14 0.755 0.243 3.253 1.00 1.05 H ATOM 209 HG23 VAL A 14 2.464 -0.195 3.216 1.00 1.04 H ATOM 210 N VAL A 15 0.759 -1.049 -0.869 1.00 0.16 N ATOM 211 CA VAL A 15 0.373 -2.300 -1.494 1.00 0.17 C ATOM 212 C VAL A 15 0.867 -3.510 -0.704 1.00 0.18 C ATOM 213 O VAL A 15 2.061 -3.815 -0.654 1.00 0.28 O ATOM 214 CB VAL A 15 0.842 -2.382 -2.969 1.00 0.24 C ATOM 215 CG1 VAL A 15 2.348 -2.197 -3.097 1.00 0.42 C ATOM 216 CG2 VAL A 15 0.402 -3.696 -3.597 1.00 0.37 C ATOM 217 H VAL A 15 1.571 -0.584 -1.181 1.00 0.23 H ATOM 218 HA VAL A 15 -0.707 -2.327 -1.497 1.00 0.14 H ATOM 219 HB VAL A 15 0.365 -1.579 -3.512 1.00 0.42 H ATOM 220 HG11 VAL A 15 2.854 -2.974 -2.544 1.00 1.13 H ATOM 221 HG12 VAL A 15 2.626 -1.232 -2.700 1.00 1.12 H ATOM 222 HG13 VAL A 15 2.629 -2.254 -4.138 1.00 1.12 H ATOM 223 HG21 VAL A 15 0.855 -4.519 -3.065 1.00 1.12 H ATOM 224 HG22 VAL A 15 0.708 -3.724 -4.631 1.00 1.10 H ATOM 225 HG23 VAL A 15 -0.675 -3.781 -3.537 1.00 1.09 H ATOM 226 N VAL A 16 -0.072 -4.172 -0.058 1.00 0.14 N ATOM 227 CA VAL A 16 0.185 -5.425 0.621 1.00 0.18 C ATOM 228 C VAL A 16 -0.528 -6.559 -0.118 1.00 0.14 C ATOM 229 O VAL A 16 -1.744 -6.726 -0.011 1.00 0.21 O ATOM 230 CB VAL A 16 -0.259 -5.365 2.106 1.00 0.29 C ATOM 231 CG1 VAL A 16 -1.691 -4.865 2.232 1.00 0.51 C ATOM 232 CG2 VAL A 16 -0.102 -6.722 2.779 1.00 0.55 C ATOM 233 H VAL A 16 -0.983 -3.799 -0.035 1.00 0.14 H ATOM 234 HA VAL A 16 1.251 -5.604 0.590 1.00 0.24 H ATOM 235 HB VAL A 16 0.381 -4.663 2.619 1.00 0.50 H ATOM 236 HG11 VAL A 16 -1.740 -3.823 1.937 1.00 1.17 H ATOM 237 HG12 VAL A 16 -2.020 -4.967 3.256 1.00 1.17 H ATOM 238 HG13 VAL A 16 -2.332 -5.449 1.590 1.00 1.19 H ATOM 239 HG21 VAL A 16 0.931 -7.028 2.734 1.00 1.20 H ATOM 240 HG22 VAL A 16 -0.715 -7.450 2.267 1.00 1.18 H ATOM 241 HG23 VAL A 16 -0.413 -6.651 3.810 1.00 1.21 H ATOM 242 N LYS A 17 0.237 -7.297 -0.919 1.00 0.20 N ATOM 243 CA LYS A 17 -0.295 -8.397 -1.722 1.00 0.30 C ATOM 244 C LYS A 17 -1.414 -7.914 -2.648 1.00 0.25 C ATOM 245 O LYS A 17 -2.362 -8.645 -2.935 1.00 0.33 O ATOM 246 CB LYS A 17 -0.794 -9.529 -0.815 1.00 0.44 C ATOM 247 CG LYS A 17 0.317 -10.192 -0.013 1.00 0.92 C ATOM 248 CD LYS A 17 -0.225 -11.202 0.988 1.00 1.34 C ATOM 249 CE LYS A 17 -1.031 -10.526 2.087 1.00 2.04 C ATOM 250 NZ LYS A 17 -1.509 -11.497 3.104 1.00 2.67 N ATOM 251 H LYS A 17 1.198 -7.103 -0.962 1.00 0.27 H ATOM 252 HA LYS A 17 0.513 -8.773 -2.333 1.00 0.40 H ATOM 253 HB2 LYS A 17 -1.520 -9.128 -0.124 1.00 0.83 H ATOM 254 HB3 LYS A 17 -1.268 -10.283 -1.426 1.00 0.81 H ATOM 255 HG2 LYS A 17 0.982 -10.701 -0.694 1.00 1.38 H ATOM 256 HG3 LYS A 17 0.864 -9.428 0.521 1.00 1.42 H ATOM 257 HD2 LYS A 17 -0.863 -11.903 0.469 1.00 1.78 H ATOM 258 HD3 LYS A 17 0.603 -11.732 1.436 1.00 1.80 H ATOM 259 HE2 LYS A 17 -0.410 -9.790 2.571 1.00 2.51 H ATOM 260 HE3 LYS A 17 -1.886 -10.037 1.642 1.00 2.53 H ATOM 261 HZ1 LYS A 17 -2.020 -11.022 3.819 1.00 3.04 H ATOM 262 HZ2 LYS A 17 -0.733 -11.966 3.525 1.00 3.03 H ATOM 263 HZ3 LYS A 17 -2.102 -12.180 2.678 1.00 3.03 H ATOM 264 N GLY A 18 -1.296 -6.673 -3.107 1.00 0.21 N ATOM 265 CA GLY A 18 -2.282 -6.115 -4.013 1.00 0.25 C ATOM 266 C GLY A 18 -3.280 -5.210 -3.313 1.00 0.26 C ATOM 267 O GLY A 18 -3.912 -4.367 -3.945 1.00 0.51 O ATOM 268 H GLY A 18 -0.529 -6.132 -2.830 1.00 0.23 H ATOM 269 HA2 GLY A 18 -1.771 -5.545 -4.776 1.00 0.29 H ATOM 270 HA3 GLY A 18 -2.816 -6.926 -4.484 1.00 0.28 H ATOM 271 N ARG A 19 -3.401 -5.364 -2.004 1.00 0.12 N ATOM 272 CA ARG A 19 -4.376 -4.613 -1.227 1.00 0.16 C ATOM 273 C ARG A 19 -3.753 -3.344 -0.652 1.00 0.12 C ATOM 274 O ARG A 19 -2.541 -3.263 -0.483 1.00 0.18 O ATOM 275 CB ARG A 19 -4.939 -5.513 -0.125 1.00 0.28 C ATOM 276 CG ARG A 19 -5.160 -4.821 1.204 1.00 0.68 C ATOM 277 CD ARG A 19 -6.445 -5.285 1.855 1.00 0.94 C ATOM 278 NE ARG A 19 -7.601 -5.023 0.995 1.00 1.06 N ATOM 279 CZ ARG A 19 -8.827 -5.486 1.228 1.00 1.47 C ATOM 280 NH1 ARG A 19 -9.061 -6.257 2.281 1.00 1.66 N ATOM 281 NH2 ARG A 19 -9.820 -5.180 0.404 1.00 1.91 N ATOM 282 H ARG A 19 -2.809 -5.990 -1.536 1.00 0.20 H ATOM 283 HA ARG A 19 -5.183 -4.331 -1.887 1.00 0.22 H ATOM 284 HB2 ARG A 19 -5.887 -5.898 -0.457 1.00 0.79 H ATOM 285 HB3 ARG A 19 -4.261 -6.340 0.031 1.00 0.80 H ATOM 286 HG2 ARG A 19 -4.331 -5.051 1.855 1.00 1.15 H ATOM 287 HG3 ARG A 19 -5.209 -3.756 1.040 1.00 1.10 H ATOM 288 HD2 ARG A 19 -6.378 -6.347 2.045 1.00 1.23 H ATOM 289 HD3 ARG A 19 -6.571 -4.756 2.788 1.00 1.42 H ATOM 290 HE ARG A 19 -7.447 -4.462 0.196 1.00 1.10 H ATOM 291 HH11 ARG A 19 -8.315 -6.492 2.910 1.00 1.58 H ATOM 292 HH12 ARG A 19 -9.984 -6.618 2.445 1.00 2.02 H ATOM 293 HH21 ARG A 19 -9.651 -4.601 -0.400 1.00 1.98 H ATOM 294 HH22 ARG A 19 -10.748 -5.521 0.583 1.00 2.27 H ATOM 295 N CYS A 20 -4.581 -2.345 -0.382 1.00 0.12 N ATOM 296 CA CYS A 20 -4.100 -1.089 0.168 1.00 0.13 C ATOM 297 C CYS A 20 -4.197 -1.100 1.691 1.00 0.13 C ATOM 298 O CYS A 20 -5.288 -1.117 2.261 1.00 0.22 O ATOM 299 CB CYS A 20 -4.887 0.082 -0.410 1.00 0.24 C ATOM 300 SG CYS A 20 -5.232 -0.072 -2.189 1.00 1.00 S ATOM 301 H CYS A 20 -5.541 -2.456 -0.557 1.00 0.17 H ATOM 302 HA CYS A 20 -3.061 -0.986 -0.111 1.00 0.16 H ATOM 303 HB2 CYS A 20 -5.826 0.179 0.106 1.00 0.96 H ATOM 304 HB3 CYS A 20 -4.317 0.985 -0.271 1.00 0.83 H ATOM 305 N ARG A 21 -3.042 -1.105 2.332 1.00 0.11 N ATOM 306 CA ARG A 21 -2.942 -1.158 3.788 1.00 0.15 C ATOM 307 C ARG A 21 -2.562 0.209 4.345 1.00 0.11 C ATOM 308 O ARG A 21 -1.765 0.917 3.741 1.00 0.15 O ATOM 309 CB ARG A 21 -1.878 -2.185 4.180 1.00 0.25 C ATOM 310 CG ARG A 21 -1.565 -2.230 5.666 1.00 0.75 C ATOM 311 CD ARG A 21 -0.367 -3.120 5.955 1.00 0.82 C ATOM 312 NE ARG A 21 0.839 -2.652 5.268 1.00 0.79 N ATOM 313 CZ ARG A 21 2.044 -2.582 5.834 1.00 1.18 C ATOM 314 NH1 ARG A 21 2.227 -3.001 7.080 1.00 1.84 N ATOM 315 NH2 ARG A 21 3.075 -2.110 5.145 1.00 1.28 N ATOM 316 H ARG A 21 -2.216 -1.069 1.801 1.00 0.13 H ATOM 317 HA ARG A 21 -3.899 -1.460 4.185 1.00 0.22 H ATOM 318 HB2 ARG A 21 -2.221 -3.164 3.884 1.00 0.70 H ATOM 319 HB3 ARG A 21 -0.965 -1.961 3.647 1.00 0.73 H ATOM 320 HG2 ARG A 21 -1.347 -1.230 6.009 1.00 1.35 H ATOM 321 HG3 ARG A 21 -2.424 -2.615 6.192 1.00 1.24 H ATOM 322 HD2 ARG A 21 -0.186 -3.124 7.020 1.00 1.08 H ATOM 323 HD3 ARG A 21 -0.591 -4.124 5.625 1.00 1.18 H ATOM 324 HE ARG A 21 0.738 -2.365 4.335 1.00 0.97 H ATOM 325 HH11 ARG A 21 1.463 -3.379 7.605 1.00 1.95 H ATOM 326 HH12 ARG A 21 3.137 -2.944 7.504 1.00 2.35 H ATOM 327 HH21 ARG A 21 2.960 -1.812 4.197 1.00 1.21 H ATOM 328 HH22 ARG A 21 3.979 -2.039 5.580 1.00 1.69 H ATOM 329 N ILE A 22 -3.132 0.569 5.494 1.00 0.14 N ATOM 330 CA ILE A 22 -2.829 1.845 6.148 1.00 0.16 C ATOM 331 C ILE A 22 -1.340 1.974 6.442 1.00 0.17 C ATOM 332 O ILE A 22 -0.798 1.226 7.260 1.00 0.31 O ATOM 333 CB ILE A 22 -3.583 1.993 7.483 1.00 0.28 C ATOM 334 CG1 ILE A 22 -5.097 1.899 7.275 1.00 0.39 C ATOM 335 CG2 ILE A 22 -3.222 3.310 8.160 1.00 0.33 C ATOM 336 CD1 ILE A 22 -5.670 3.011 6.421 1.00 1.22 C ATOM 337 H ILE A 22 -3.774 -0.042 5.918 1.00 0.20 H ATOM 338 HA ILE A 22 -3.134 2.646 5.490 1.00 0.18 H ATOM 339 HB ILE A 22 -3.260 1.191 8.128 1.00 0.32 H ATOM 340 HG12 ILE A 22 -5.327 0.965 6.793 1.00 1.13 H ATOM 341 HG13 ILE A 22 -5.588 1.932 8.236 1.00 1.18 H ATOM 342 HG21 ILE A 22 -3.751 3.389 9.099 1.00 1.07 H ATOM 343 HG22 ILE A 22 -3.504 4.134 7.520 1.00 1.08 H ATOM 344 HG23 ILE A 22 -2.159 3.343 8.341 1.00 1.08 H ATOM 345 HD11 ILE A 22 -6.741 2.890 6.345 1.00 1.81 H ATOM 346 HD12 ILE A 22 -5.233 2.970 5.436 1.00 1.85 H ATOM 347 HD13 ILE A 22 -5.448 3.965 6.875 1.00 1.82 H ATOM 348 N ALA A 23 -0.698 2.926 5.779 1.00 0.17 N ATOM 349 CA ALA A 23 0.712 3.198 5.984 1.00 0.23 C ATOM 350 C ALA A 23 1.127 4.460 5.230 1.00 0.40 C ATOM 351 O ALA A 23 1.219 4.419 3.984 1.00 0.64 O ATOM 352 CB ALA A 23 1.545 2.002 5.559 1.00 0.35 C ATOM 353 OXT ALA A 23 1.360 5.495 5.889 1.00 1.33 O ATOM 354 H ALA A 23 -1.193 3.465 5.122 1.00 0.25 H ATOM 355 HA ALA A 23 0.867 3.359 7.042 1.00 0.28 H ATOM 356 HB1 ALA A 23 1.468 1.872 4.490 1.00 1.12 H ATOM 357 HB2 ALA A 23 1.170 1.117 6.058 1.00 1.08 H ATOM 358 HB3 ALA A 23 2.576 2.163 5.832 1.00 1.09 H TER 359 ALA A 23 ENDMDL MODEL 11 ATOM 1 N THR A 1 16.096 -1.765 0.300 1.00 4.74 N ATOM 2 CA THR A 1 15.493 -0.699 1.125 1.00 4.28 C ATOM 3 C THR A 1 13.988 -0.904 1.252 1.00 3.85 C ATOM 4 O THR A 1 13.314 -1.231 0.273 1.00 4.08 O ATOM 5 CB THR A 1 15.782 0.691 0.522 1.00 4.65 C ATOM 6 OG1 THR A 1 15.562 0.672 -0.899 1.00 5.17 O ATOM 7 CG2 THR A 1 17.212 1.119 0.811 1.00 4.88 C ATOM 8 H1 THR A 1 15.688 -1.762 -0.612 1.00 4.93 H ATOM 9 H2 THR A 1 15.934 -2.657 0.720 1.00 4.98 H ATOM 10 H3 THR A 1 17.081 -1.621 0.218 1.00 5.05 H ATOM 11 HA THR A 1 15.933 -0.740 2.110 1.00 4.46 H ATOM 12 HB THR A 1 15.110 1.408 0.972 1.00 4.91 H ATOM 13 HG1 THR A 1 15.570 1.582 -1.233 1.00 5.46 H ATOM 14 HG21 THR A 1 17.897 0.408 0.374 1.00 5.08 H ATOM 15 HG22 THR A 1 17.367 1.160 1.879 1.00 5.10 H ATOM 16 HG23 THR A 1 17.388 2.096 0.384 1.00 5.13 H ATOM 17 N ILE A 2 13.467 -0.726 2.461 1.00 3.53 N ATOM 18 CA ILE A 2 12.043 -0.895 2.711 1.00 3.22 C ATOM 19 C ILE A 2 11.276 0.330 2.227 1.00 2.69 C ATOM 20 O ILE A 2 11.116 1.309 2.955 1.00 2.69 O ATOM 21 CB ILE A 2 11.753 -1.129 4.212 1.00 3.57 C ATOM 22 CG1 ILE A 2 12.572 -2.312 4.743 1.00 3.97 C ATOM 23 CG2 ILE A 2 10.265 -1.369 4.439 1.00 3.95 C ATOM 24 CD1 ILE A 2 12.265 -3.632 4.065 1.00 4.45 C ATOM 25 H ILE A 2 14.055 -0.466 3.205 1.00 3.73 H ATOM 26 HA ILE A 2 11.707 -1.762 2.158 1.00 3.33 H ATOM 27 HB ILE A 2 12.032 -0.237 4.751 1.00 3.84 H ATOM 28 HG12 ILE A 2 13.621 -2.106 4.601 1.00 4.24 H ATOM 29 HG13 ILE A 2 12.375 -2.428 5.797 1.00 4.21 H ATOM 30 HG21 ILE A 2 9.704 -0.513 4.094 1.00 4.15 H ATOM 31 HG22 ILE A 2 10.081 -1.520 5.491 1.00 4.32 H ATOM 32 HG23 ILE A 2 9.955 -2.247 3.891 1.00 4.23 H ATOM 33 HD11 ILE A 2 11.218 -3.868 4.191 1.00 4.75 H ATOM 34 HD12 ILE A 2 12.865 -4.412 4.508 1.00 4.72 H ATOM 35 HD13 ILE A 2 12.491 -3.558 3.013 1.00 4.70 H ATOM 36 N ILE A 3 10.824 0.276 0.987 1.00 2.42 N ATOM 37 CA ILE A 3 10.098 1.380 0.386 1.00 1.99 C ATOM 38 C ILE A 3 8.598 1.128 0.465 1.00 1.72 C ATOM 39 O ILE A 3 8.125 0.049 0.104 1.00 1.80 O ATOM 40 CB ILE A 3 10.508 1.578 -1.091 1.00 2.08 C ATOM 41 CG1 ILE A 3 12.012 1.851 -1.193 1.00 2.47 C ATOM 42 CG2 ILE A 3 9.712 2.713 -1.725 1.00 1.90 C ATOM 43 CD1 ILE A 3 12.515 1.982 -2.616 1.00 2.90 C ATOM 44 H ILE A 3 10.973 -0.540 0.461 1.00 2.62 H ATOM 45 HA ILE A 3 10.336 2.281 0.933 1.00 2.04 H ATOM 46 HB ILE A 3 10.277 0.671 -1.627 1.00 2.20 H ATOM 47 HG12 ILE A 3 12.240 2.772 -0.676 1.00 2.70 H ATOM 48 HG13 ILE A 3 12.550 1.041 -0.724 1.00 2.77 H ATOM 49 HG21 ILE A 3 9.987 2.809 -2.766 1.00 2.14 H ATOM 50 HG22 ILE A 3 9.929 3.636 -1.210 1.00 2.12 H ATOM 51 HG23 ILE A 3 8.657 2.498 -1.650 1.00 2.18 H ATOM 52 HD11 ILE A 3 12.311 1.069 -3.155 1.00 3.27 H ATOM 53 HD12 ILE A 3 13.579 2.165 -2.606 1.00 3.27 H ATOM 54 HD13 ILE A 3 12.012 2.806 -3.100 1.00 3.15 H ATOM 55 N ASN A 4 7.854 2.110 0.948 1.00 1.59 N ATOM 56 CA ASN A 4 6.408 1.992 1.008 1.00 1.47 C ATOM 57 C ASN A 4 5.813 2.268 -0.372 1.00 1.08 C ATOM 58 O ASN A 4 5.724 3.411 -0.816 1.00 1.14 O ATOM 59 CB ASN A 4 5.816 2.917 2.090 1.00 1.84 C ATOM 60 CG ASN A 4 6.051 4.402 1.851 1.00 1.94 C ATOM 61 OD1 ASN A 4 7.100 4.942 2.202 1.00 2.63 O ATOM 62 ND2 ASN A 4 5.054 5.083 1.296 1.00 2.01 N ATOM 63 H ASN A 4 8.286 2.932 1.267 1.00 1.72 H ATOM 64 HA ASN A 4 6.184 0.967 1.270 1.00 1.58 H ATOM 65 HB2 ASN A 4 4.754 2.754 2.138 1.00 2.23 H ATOM 66 HB3 ASN A 4 6.251 2.655 3.044 1.00 2.18 H ATOM 67 HD21 ASN A 4 4.230 4.600 1.069 1.00 2.26 H ATOM 68 HD22 ASN A 4 5.186 6.041 1.128 1.00 2.28 H ATOM 69 N ALA A 5 5.438 1.205 -1.061 1.00 0.89 N ATOM 70 CA ALA A 5 4.946 1.315 -2.425 1.00 0.65 C ATOM 71 C ALA A 5 3.467 1.684 -2.447 1.00 0.56 C ATOM 72 O ALA A 5 2.637 0.997 -1.850 1.00 0.60 O ATOM 73 CB ALA A 5 5.186 0.014 -3.178 1.00 0.80 C ATOM 74 H ALA A 5 5.485 0.321 -0.640 1.00 1.05 H ATOM 75 HA ALA A 5 5.509 2.097 -2.916 1.00 0.71 H ATOM 76 HB1 ALA A 5 6.239 -0.226 -3.155 1.00 1.35 H ATOM 77 HB2 ALA A 5 4.865 0.127 -4.204 1.00 1.32 H ATOM 78 HB3 ALA A 5 4.626 -0.780 -2.711 1.00 1.34 H ATOM 79 N PRO A 6 3.121 2.777 -3.139 1.00 0.64 N ATOM 80 CA PRO A 6 1.742 3.248 -3.237 1.00 0.70 C ATOM 81 C PRO A 6 0.906 2.372 -4.161 1.00 0.57 C ATOM 82 O PRO A 6 1.335 2.016 -5.262 1.00 0.65 O ATOM 83 CB PRO A 6 1.888 4.657 -3.812 1.00 0.95 C ATOM 84 CG PRO A 6 3.159 4.622 -4.589 1.00 1.21 C ATOM 85 CD PRO A 6 4.053 3.636 -3.888 1.00 0.87 C ATOM 86 HA PRO A 6 1.271 3.298 -2.266 1.00 0.78 H ATOM 87 HB2 PRO A 6 1.041 4.880 -4.446 1.00 1.00 H ATOM 88 HB3 PRO A 6 1.939 5.375 -3.007 1.00 1.12 H ATOM 89 HG2 PRO A 6 2.962 4.297 -5.600 1.00 1.50 H ATOM 90 HG3 PRO A 6 3.613 5.602 -4.592 1.00 1.58 H ATOM 91 HD2 PRO A 6 4.608 3.056 -4.608 1.00 0.93 H ATOM 92 HD3 PRO A 6 4.725 4.149 -3.219 1.00 0.93 H ATOM 93 N ASN A 7 -0.281 2.023 -3.705 1.00 0.50 N ATOM 94 CA ASN A 7 -1.187 1.183 -4.477 1.00 0.42 C ATOM 95 C ASN A 7 -2.066 2.079 -5.352 1.00 0.48 C ATOM 96 O ASN A 7 -1.714 3.232 -5.607 1.00 0.56 O ATOM 97 CB ASN A 7 -2.041 0.347 -3.513 1.00 0.30 C ATOM 98 CG ASN A 7 -2.597 -0.927 -4.131 1.00 0.38 C ATOM 99 OD1 ASN A 7 -2.845 -1.005 -5.334 1.00 0.74 O ATOM 100 ND2 ASN A 7 -2.795 -1.939 -3.303 1.00 0.19 N ATOM 101 H ASN A 7 -0.568 2.352 -2.826 1.00 0.58 H ATOM 102 HA ASN A 7 -0.598 0.530 -5.104 1.00 0.49 H ATOM 103 HB2 ASN A 7 -1.438 0.070 -2.662 1.00 0.29 H ATOM 104 HB3 ASN A 7 -2.872 0.948 -3.173 1.00 0.33 H ATOM 105 HD21 ASN A 7 -2.571 -1.815 -2.354 1.00 0.27 H ATOM 106 HD22 ASN A 7 -3.170 -2.772 -3.670 1.00 0.26 H ATOM 107 N ARG A 8 -3.191 1.560 -5.827 1.00 0.51 N ATOM 108 CA ARG A 8 -4.180 2.395 -6.496 1.00 0.62 C ATOM 109 C ARG A 8 -4.701 3.419 -5.495 1.00 0.51 C ATOM 110 O ARG A 8 -5.070 4.537 -5.847 1.00 0.57 O ATOM 111 CB ARG A 8 -5.330 1.545 -7.040 1.00 0.75 C ATOM 112 CG ARG A 8 -4.902 0.467 -8.033 1.00 1.16 C ATOM 113 CD ARG A 8 -4.286 1.053 -9.298 1.00 1.75 C ATOM 114 NE ARG A 8 -2.944 1.596 -9.075 1.00 2.48 N ATOM 115 CZ ARG A 8 -2.350 2.477 -9.880 1.00 3.42 C ATOM 116 NH1 ARG A 8 -2.971 2.921 -10.965 1.00 3.83 N ATOM 117 NH2 ARG A 8 -1.133 2.919 -9.597 1.00 4.36 N ATOM 118 H ARG A 8 -3.354 0.595 -5.735 1.00 0.50 H ATOM 119 HA ARG A 8 -3.692 2.910 -7.311 1.00 0.73 H ATOM 120 HB2 ARG A 8 -5.824 1.060 -6.212 1.00 0.92 H ATOM 121 HB3 ARG A 8 -6.036 2.195 -7.535 1.00 1.07 H ATOM 122 HG2 ARG A 8 -4.173 -0.171 -7.558 1.00 1.64 H ATOM 123 HG3 ARG A 8 -5.769 -0.118 -8.304 1.00 1.67 H ATOM 124 HD2 ARG A 8 -4.227 0.276 -10.046 1.00 2.27 H ATOM 125 HD3 ARG A 8 -4.927 1.845 -9.657 1.00 2.17 H ATOM 126 HE ARG A 8 -2.458 1.280 -8.279 1.00 2.70 H ATOM 127 HH11 ARG A 8 -3.892 2.598 -11.190 1.00 3.58 H ATOM 128 HH12 ARG A 8 -2.517 3.586 -11.565 1.00 4.66 H ATOM 129 HH21 ARG A 8 -0.655 2.596 -8.776 1.00 4.53 H ATOM 130 HH22 ARG A 8 -0.681 3.577 -10.209 1.00 5.09 H ATOM 131 N CYS A 9 -4.706 3.000 -4.240 1.00 0.38 N ATOM 132 CA CYS A 9 -5.013 3.866 -3.118 1.00 0.29 C ATOM 133 C CYS A 9 -3.828 4.797 -2.857 1.00 0.22 C ATOM 134 O CYS A 9 -2.680 4.350 -2.828 1.00 0.30 O ATOM 135 CB CYS A 9 -5.288 2.994 -1.893 1.00 0.31 C ATOM 136 SG CYS A 9 -6.429 1.612 -2.225 1.00 0.45 S ATOM 137 H CYS A 9 -4.493 2.064 -4.060 1.00 0.38 H ATOM 138 HA CYS A 9 -5.889 4.448 -3.359 1.00 0.32 H ATOM 139 HB2 CYS A 9 -4.355 2.572 -1.548 1.00 0.28 H ATOM 140 HB3 CYS A 9 -5.717 3.595 -1.107 1.00 0.31 H ATOM 141 N PRO A 10 -4.089 6.102 -2.686 1.00 0.21 N ATOM 142 CA PRO A 10 -3.034 7.105 -2.488 1.00 0.27 C ATOM 143 C PRO A 10 -2.328 6.965 -1.135 1.00 0.19 C ATOM 144 O PRO A 10 -2.778 6.195 -0.280 1.00 0.15 O ATOM 145 CB PRO A 10 -3.795 8.435 -2.569 1.00 0.39 C ATOM 146 CG PRO A 10 -5.192 8.101 -2.184 1.00 0.38 C ATOM 147 CD PRO A 10 -5.436 6.703 -2.677 1.00 0.28 C ATOM 148 HA PRO A 10 -2.299 7.061 -3.277 1.00 0.37 H ATOM 149 HB2 PRO A 10 -3.356 9.146 -1.883 1.00 0.46 H ATOM 150 HB3 PRO A 10 -3.744 8.822 -3.576 1.00 0.49 H ATOM 151 HG2 PRO A 10 -5.297 8.143 -1.110 1.00 0.41 H ATOM 152 HG3 PRO A 10 -5.878 8.789 -2.656 1.00 0.47 H ATOM 153 HD2 PRO A 10 -6.090 6.173 -2.001 1.00 0.33 H ATOM 154 HD3 PRO A 10 -5.853 6.721 -3.673 1.00 0.32 H ATOM 155 N PRO A 11 -1.205 7.700 -0.934 1.00 0.22 N ATOM 156 CA PRO A 11 -0.448 7.708 0.327 1.00 0.21 C ATOM 157 C PRO A 11 -1.344 7.657 1.558 1.00 0.17 C ATOM 158 O PRO A 11 -2.334 8.388 1.659 1.00 0.24 O ATOM 159 CB PRO A 11 0.294 9.035 0.256 1.00 0.29 C ATOM 160 CG PRO A 11 0.576 9.218 -1.194 1.00 0.35 C ATOM 161 CD PRO A 11 -0.569 8.575 -1.939 1.00 0.33 C ATOM 162 HA PRO A 11 0.263 6.896 0.366 1.00 0.25 H ATOM 163 HB2 PRO A 11 -0.336 9.824 0.642 1.00 0.31 H ATOM 164 HB3 PRO A 11 1.204 8.975 0.832 1.00 0.35 H ATOM 165 HG2 PRO A 11 0.629 10.272 -1.426 1.00 0.42 H ATOM 166 HG3 PRO A 11 1.507 8.733 -1.449 1.00 0.45 H ATOM 167 HD2 PRO A 11 -1.262 9.328 -2.284 1.00 0.40 H ATOM 168 HD3 PRO A 11 -0.197 7.996 -2.772 1.00 0.44 H ATOM 169 N GLY A 12 -0.991 6.792 2.492 1.00 0.16 N ATOM 170 CA GLY A 12 -1.868 6.498 3.596 1.00 0.17 C ATOM 171 C GLY A 12 -2.259 5.044 3.557 1.00 0.11 C ATOM 172 O GLY A 12 -2.518 4.421 4.587 1.00 0.14 O ATOM 173 H GLY A 12 -0.115 6.343 2.432 1.00 0.21 H ATOM 174 HA2 GLY A 12 -1.358 6.711 4.525 1.00 0.23 H ATOM 175 HA3 GLY A 12 -2.756 7.106 3.524 1.00 0.20 H ATOM 176 N HIS A 13 -2.305 4.505 2.346 1.00 0.12 N ATOM 177 CA HIS A 13 -2.465 3.078 2.143 1.00 0.13 C ATOM 178 C HIS A 13 -1.489 2.605 1.078 1.00 0.18 C ATOM 179 O HIS A 13 -1.434 3.156 -0.020 1.00 0.36 O ATOM 180 CB HIS A 13 -3.884 2.700 1.725 1.00 0.20 C ATOM 181 CG HIS A 13 -4.957 3.134 2.679 1.00 0.28 C ATOM 182 ND1 HIS A 13 -5.758 4.235 2.466 1.00 0.44 N ATOM 183 CD2 HIS A 13 -5.375 2.592 3.847 1.00 0.41 C ATOM 184 CE1 HIS A 13 -6.617 4.352 3.459 1.00 0.49 C ATOM 185 NE2 HIS A 13 -6.406 3.367 4.310 1.00 0.47 N ATOM 186 H HIS A 13 -2.219 5.091 1.560 1.00 0.16 H ATOM 187 HA HIS A 13 -2.227 2.584 3.074 1.00 0.13 H ATOM 188 HB2 HIS A 13 -4.092 3.137 0.766 1.00 0.25 H ATOM 189 HB3 HIS A 13 -3.935 1.621 1.640 1.00 0.22 H ATOM 190 HD1 HIS A 13 -5.703 4.848 1.700 1.00 0.58 H ATOM 191 HD2 HIS A 13 -4.968 1.713 4.326 1.00 0.56 H ATOM 192 HE1 HIS A 13 -7.367 5.121 3.559 1.00 0.63 H ATOM 193 HE2 HIS A 13 -7.025 3.109 5.031 1.00 0.61 H ATOM 194 N VAL A 14 -0.734 1.579 1.406 1.00 0.11 N ATOM 195 CA VAL A 14 0.304 1.076 0.519 1.00 0.13 C ATOM 196 C VAL A 14 -0.032 -0.335 0.059 1.00 0.11 C ATOM 197 O VAL A 14 -0.859 -1.012 0.674 1.00 0.15 O ATOM 198 CB VAL A 14 1.680 1.096 1.212 1.00 0.19 C ATOM 199 CG1 VAL A 14 1.998 2.497 1.706 1.00 0.26 C ATOM 200 CG2 VAL A 14 1.727 0.104 2.361 1.00 0.23 C ATOM 201 H VAL A 14 -0.887 1.137 2.269 1.00 0.16 H ATOM 202 HA VAL A 14 0.347 1.723 -0.346 1.00 0.16 H ATOM 203 HB VAL A 14 2.431 0.813 0.487 1.00 0.23 H ATOM 204 HG11 VAL A 14 2.909 2.478 2.280 1.00 1.02 H ATOM 205 HG12 VAL A 14 1.188 2.852 2.329 1.00 1.05 H ATOM 206 HG13 VAL A 14 2.118 3.158 0.860 1.00 1.07 H ATOM 207 HG21 VAL A 14 1.585 -0.896 1.980 1.00 1.05 H ATOM 208 HG22 VAL A 14 0.944 0.335 3.067 1.00 1.05 H ATOM 209 HG23 VAL A 14 2.687 0.169 2.854 1.00 1.04 H ATOM 210 N VAL A 15 0.599 -0.777 -1.020 1.00 0.16 N ATOM 211 CA VAL A 15 0.255 -2.056 -1.621 1.00 0.17 C ATOM 212 C VAL A 15 0.891 -3.232 -0.885 1.00 0.18 C ATOM 213 O VAL A 15 2.113 -3.400 -0.864 1.00 0.28 O ATOM 214 CB VAL A 15 0.619 -2.115 -3.125 1.00 0.24 C ATOM 215 CG1 VAL A 15 2.094 -1.834 -3.355 1.00 0.42 C ATOM 216 CG2 VAL A 15 0.228 -3.465 -3.714 1.00 0.37 C ATOM 217 H VAL A 15 1.321 -0.234 -1.415 1.00 0.23 H ATOM 218 HA VAL A 15 -0.818 -2.159 -1.546 1.00 0.14 H ATOM 219 HB VAL A 15 0.053 -1.351 -3.636 1.00 0.42 H ATOM 220 HG11 VAL A 15 2.316 -1.918 -4.407 1.00 1.13 H ATOM 221 HG12 VAL A 15 2.688 -2.548 -2.801 1.00 1.12 H ATOM 222 HG13 VAL A 15 2.325 -0.834 -3.017 1.00 1.12 H ATOM 223 HG21 VAL A 15 -0.826 -3.640 -3.548 1.00 1.12 H ATOM 224 HG22 VAL A 15 0.801 -4.246 -3.235 1.00 1.10 H ATOM 225 HG23 VAL A 15 0.432 -3.468 -4.774 1.00 1.09 H ATOM 226 N VAL A 16 0.042 -4.015 -0.250 1.00 0.14 N ATOM 227 CA VAL A 16 0.430 -5.283 0.325 1.00 0.18 C ATOM 228 C VAL A 16 -0.489 -6.380 -0.213 1.00 0.14 C ATOM 229 O VAL A 16 -1.705 -6.329 -0.026 1.00 0.21 O ATOM 230 CB VAL A 16 0.370 -5.226 1.865 1.00 0.29 C ATOM 231 CG1 VAL A 16 -1.003 -4.778 2.341 1.00 0.51 C ATOM 232 CG2 VAL A 16 0.743 -6.569 2.473 1.00 0.55 C ATOM 233 H VAL A 16 -0.890 -3.715 -0.140 1.00 0.14 H ATOM 234 HA VAL A 16 1.446 -5.494 0.025 1.00 0.24 H ATOM 235 HB VAL A 16 1.090 -4.495 2.198 1.00 0.50 H ATOM 236 HG11 VAL A 16 -1.031 -4.785 3.419 1.00 1.17 H ATOM 237 HG12 VAL A 16 -1.754 -5.450 1.955 1.00 1.17 H ATOM 238 HG13 VAL A 16 -1.201 -3.774 1.981 1.00 1.19 H ATOM 239 HG21 VAL A 16 1.748 -6.830 2.181 1.00 1.20 H ATOM 240 HG22 VAL A 16 0.057 -7.325 2.120 1.00 1.18 H ATOM 241 HG23 VAL A 16 0.684 -6.505 3.550 1.00 1.21 H ATOM 242 N LYS A 17 0.087 -7.339 -0.935 1.00 0.20 N ATOM 243 CA LYS A 17 -0.686 -8.427 -1.540 1.00 0.30 C ATOM 244 C LYS A 17 -1.737 -7.883 -2.513 1.00 0.25 C ATOM 245 O LYS A 17 -2.767 -8.516 -2.747 1.00 0.33 O ATOM 246 CB LYS A 17 -1.368 -9.268 -0.454 1.00 0.44 C ATOM 247 CG LYS A 17 -0.398 -10.016 0.448 1.00 0.92 C ATOM 248 CD LYS A 17 -1.114 -10.664 1.626 1.00 1.34 C ATOM 249 CE LYS A 17 -2.178 -11.654 1.173 1.00 2.04 C ATOM 250 NZ LYS A 17 -1.596 -12.809 0.442 1.00 2.67 N ATOM 251 H LYS A 17 1.060 -7.318 -1.065 1.00 0.27 H ATOM 252 HA LYS A 17 0.001 -9.054 -2.088 1.00 0.40 H ATOM 253 HB2 LYS A 17 -1.969 -8.617 0.162 1.00 0.83 H ATOM 254 HB3 LYS A 17 -2.014 -9.991 -0.930 1.00 0.81 H ATOM 255 HG2 LYS A 17 0.093 -10.784 -0.127 1.00 1.38 H ATOM 256 HG3 LYS A 17 0.336 -9.319 0.824 1.00 1.42 H ATOM 257 HD2 LYS A 17 -0.387 -11.186 2.230 1.00 1.78 H ATOM 258 HD3 LYS A 17 -1.582 -9.891 2.217 1.00 1.80 H ATOM 259 HE2 LYS A 17 -2.704 -12.022 2.042 1.00 2.51 H ATOM 260 HE3 LYS A 17 -2.873 -11.143 0.525 1.00 2.53 H ATOM 261 HZ1 LYS A 17 -1.143 -12.498 -0.393 1.00 3.04 H ATOM 262 HZ2 LYS A 17 -2.314 -13.457 0.192 1.00 3.03 H ATOM 263 HZ3 LYS A 17 -0.926 -13.281 1.017 1.00 3.03 H ATOM 264 N GLY A 18 -1.477 -6.704 -3.064 1.00 0.21 N ATOM 265 CA GLY A 18 -2.417 -6.085 -3.983 1.00 0.25 C ATOM 266 C GLY A 18 -3.428 -5.191 -3.279 1.00 0.26 C ATOM 267 O GLY A 18 -4.136 -4.414 -3.921 1.00 0.51 O ATOM 268 H GLY A 18 -0.631 -6.254 -2.855 1.00 0.23 H ATOM 269 HA2 GLY A 18 -1.866 -5.491 -4.697 1.00 0.29 H ATOM 270 HA3 GLY A 18 -2.949 -6.862 -4.512 1.00 0.28 H ATOM 271 N ARG A 19 -3.475 -5.279 -1.958 1.00 0.12 N ATOM 272 CA ARG A 19 -4.433 -4.517 -1.164 1.00 0.16 C ATOM 273 C ARG A 19 -3.745 -3.291 -0.564 1.00 0.12 C ATOM 274 O ARG A 19 -2.524 -3.260 -0.444 1.00 0.18 O ATOM 275 CB ARG A 19 -5.030 -5.412 -0.072 1.00 0.28 C ATOM 276 CG ARG A 19 -4.396 -5.245 1.296 1.00 0.68 C ATOM 277 CD ARG A 19 -5.456 -5.082 2.366 1.00 0.94 C ATOM 278 NE ARG A 19 -6.360 -3.970 2.068 1.00 1.06 N ATOM 279 CZ ARG A 19 -7.091 -3.342 2.992 1.00 1.47 C ATOM 280 NH1 ARG A 19 -7.009 -3.705 4.265 1.00 1.66 N ATOM 281 NH2 ARG A 19 -7.898 -2.351 2.643 1.00 1.91 N ATOM 282 H ARG A 19 -2.832 -5.862 -1.496 1.00 0.20 H ATOM 283 HA ARG A 19 -5.228 -4.181 -1.810 1.00 0.22 H ATOM 284 HB2 ARG A 19 -6.084 -5.202 0.014 1.00 0.79 H ATOM 285 HB3 ARG A 19 -4.907 -6.441 -0.373 1.00 0.80 H ATOM 286 HG2 ARG A 19 -3.804 -6.120 1.518 1.00 1.15 H ATOM 287 HG3 ARG A 19 -3.764 -4.370 1.288 1.00 1.10 H ATOM 288 HD2 ARG A 19 -6.029 -5.995 2.430 1.00 1.23 H ATOM 289 HD3 ARG A 19 -4.970 -4.896 3.311 1.00 1.42 H ATOM 290 HE ARG A 19 -6.429 -3.679 1.123 1.00 1.10 H ATOM 291 HH11 ARG A 19 -6.397 -4.450 4.540 1.00 1.58 H ATOM 292 HH12 ARG A 19 -7.558 -3.233 4.961 1.00 2.02 H ATOM 293 HH21 ARG A 19 -7.965 -2.067 1.685 1.00 1.98 H ATOM 294 HH22 ARG A 19 -8.441 -1.872 3.338 1.00 2.27 H ATOM 295 N CYS A 20 -4.517 -2.273 -0.225 1.00 0.12 N ATOM 296 CA CYS A 20 -3.955 -1.049 0.324 1.00 0.13 C ATOM 297 C CYS A 20 -4.059 -1.042 1.847 1.00 0.13 C ATOM 298 O CYS A 20 -5.142 -0.881 2.404 1.00 0.22 O ATOM 299 CB CYS A 20 -4.675 0.170 -0.246 1.00 0.24 C ATOM 300 SG CYS A 20 -5.273 -0.032 -1.953 1.00 1.00 S ATOM 301 H CYS A 20 -5.486 -2.339 -0.350 1.00 0.17 H ATOM 302 HA CYS A 20 -2.913 -1.007 0.043 1.00 0.16 H ATOM 303 HB2 CYS A 20 -5.525 0.405 0.373 1.00 0.96 H ATOM 304 HB3 CYS A 20 -3.995 1.006 -0.239 1.00 0.83 H ATOM 305 N ARG A 21 -2.928 -1.204 2.512 1.00 0.11 N ATOM 306 CA ARG A 21 -2.893 -1.261 3.969 1.00 0.15 C ATOM 307 C ARG A 21 -2.567 0.111 4.537 1.00 0.11 C ATOM 308 O ARG A 21 -1.940 0.926 3.870 1.00 0.15 O ATOM 309 CB ARG A 21 -1.848 -2.273 4.444 1.00 0.25 C ATOM 310 CG ARG A 21 -0.412 -1.780 4.332 1.00 0.75 C ATOM 311 CD ARG A 21 0.552 -2.716 5.038 1.00 0.82 C ATOM 312 NE ARG A 21 1.924 -2.204 5.040 1.00 0.79 N ATOM 313 CZ ARG A 21 2.759 -2.322 6.074 1.00 1.18 C ATOM 314 NH1 ARG A 21 2.371 -2.951 7.178 1.00 1.84 N ATOM 315 NH2 ARG A 21 3.989 -1.826 5.999 1.00 1.28 N ATOM 316 H ARG A 21 -2.089 -1.267 2.009 1.00 0.13 H ATOM 317 HA ARG A 21 -3.868 -1.566 4.317 1.00 0.22 H ATOM 318 HB2 ARG A 21 -2.042 -2.516 5.476 1.00 0.70 H ATOM 319 HB3 ARG A 21 -1.942 -3.168 3.847 1.00 0.73 H ATOM 320 HG2 ARG A 21 -0.142 -1.721 3.288 1.00 1.35 H ATOM 321 HG3 ARG A 21 -0.343 -0.800 4.780 1.00 1.24 H ATOM 322 HD2 ARG A 21 0.225 -2.840 6.060 1.00 1.08 H ATOM 323 HD3 ARG A 21 0.537 -3.674 4.539 1.00 1.18 H ATOM 324 HE ARG A 21 2.239 -1.750 4.225 1.00 0.97 H ATOM 325 HH11 ARG A 21 1.450 -3.342 7.239 1.00 1.95 H ATOM 326 HH12 ARG A 21 3.003 -3.041 7.954 1.00 2.35 H ATOM 327 HH21 ARG A 21 4.297 -1.363 5.163 1.00 1.21 H ATOM 328 HH22 ARG A 21 4.618 -1.912 6.780 1.00 1.69 H ATOM 329 N ILE A 22 -2.986 0.353 5.770 1.00 0.14 N ATOM 330 CA ILE A 22 -2.752 1.635 6.425 1.00 0.16 C ATOM 331 C ILE A 22 -1.263 1.850 6.656 1.00 0.17 C ATOM 332 O ILE A 22 -0.645 1.130 7.444 1.00 0.31 O ATOM 333 CB ILE A 22 -3.466 1.733 7.791 1.00 0.28 C ATOM 334 CG1 ILE A 22 -4.992 1.623 7.647 1.00 0.39 C ATOM 335 CG2 ILE A 22 -3.108 3.038 8.491 1.00 0.33 C ATOM 336 CD1 ILE A 22 -5.509 0.216 7.436 1.00 1.22 C ATOM 337 H ILE A 22 -3.453 -0.357 6.261 1.00 0.20 H ATOM 338 HA ILE A 22 -3.127 2.418 5.783 1.00 0.18 H ATOM 339 HB ILE A 22 -3.103 0.921 8.401 1.00 0.32 H ATOM 340 HG12 ILE A 22 -5.457 2.008 8.540 1.00 1.13 H ATOM 341 HG13 ILE A 22 -5.307 2.220 6.803 1.00 1.18 H ATOM 342 HG21 ILE A 22 -3.596 3.077 9.453 1.00 1.07 H ATOM 343 HG22 ILE A 22 -3.435 3.871 7.887 1.00 1.08 H ATOM 344 HG23 ILE A 22 -2.038 3.090 8.627 1.00 1.08 H ATOM 345 HD11 ILE A 22 -6.590 0.229 7.430 1.00 1.81 H ATOM 346 HD12 ILE A 22 -5.162 -0.420 8.234 1.00 1.85 H ATOM 347 HD13 ILE A 22 -5.151 -0.162 6.490 1.00 1.82 H ATOM 348 N ALA A 23 -0.695 2.824 5.964 1.00 0.17 N ATOM 349 CA ALA A 23 0.705 3.150 6.120 1.00 0.23 C ATOM 350 C ALA A 23 1.024 4.491 5.467 1.00 0.40 C ATOM 351 O ALA A 23 1.109 4.554 4.222 1.00 0.64 O ATOM 352 CB ALA A 23 1.559 2.032 5.548 1.00 0.35 C ATOM 353 OXT ALA A 23 1.189 5.484 6.206 1.00 1.33 O ATOM 354 H ALA A 23 -1.233 3.334 5.316 1.00 0.25 H ATOM 355 HA ALA A 23 0.912 3.221 7.179 1.00 0.28 H ATOM 356 HB1 ALA A 23 2.595 2.202 5.794 1.00 1.12 H ATOM 357 HB2 ALA A 23 1.439 2.000 4.477 1.00 1.08 H ATOM 358 HB3 ALA A 23 1.233 1.091 5.976 1.00 1.09 H TER 359 ALA A 23 ENDMDL MODEL 12 ATOM 1 N THR A 1 15.214 5.511 2.085 1.00 4.74 N ATOM 2 CA THR A 1 14.876 4.784 3.322 1.00 4.28 C ATOM 3 C THR A 1 13.362 4.741 3.509 1.00 3.85 C ATOM 4 O THR A 1 12.679 5.737 3.269 1.00 4.08 O ATOM 5 CB THR A 1 15.534 5.464 4.535 1.00 4.65 C ATOM 6 OG1 THR A 1 16.894 5.792 4.217 1.00 5.17 O ATOM 7 CG2 THR A 1 15.509 4.555 5.756 1.00 4.88 C ATOM 8 H1 THR A 1 14.835 5.036 1.292 1.00 4.93 H ATOM 9 H2 THR A 1 16.204 5.571 1.985 1.00 4.98 H ATOM 10 H3 THR A 1 14.837 6.436 2.120 1.00 5.05 H ATOM 11 HA THR A 1 15.253 3.774 3.245 1.00 4.46 H ATOM 12 HB THR A 1 14.994 6.369 4.764 1.00 4.91 H ATOM 13 HG1 THR A 1 17.265 6.338 4.919 1.00 5.46 H ATOM 14 HG21 THR A 1 14.490 4.286 5.984 1.00 5.08 H ATOM 15 HG22 THR A 1 15.942 5.073 6.600 1.00 5.10 H ATOM 16 HG23 THR A 1 16.080 3.662 5.552 1.00 5.13 H ATOM 17 N ILE A 2 12.848 3.585 3.924 1.00 3.53 N ATOM 18 CA ILE A 2 11.412 3.379 4.096 1.00 3.22 C ATOM 19 C ILE A 2 10.693 3.485 2.753 1.00 2.69 C ATOM 20 O ILE A 2 10.213 4.553 2.366 1.00 2.69 O ATOM 21 CB ILE A 2 10.790 4.383 5.102 1.00 3.57 C ATOM 22 CG1 ILE A 2 11.477 4.268 6.466 1.00 3.97 C ATOM 23 CG2 ILE A 2 9.293 4.140 5.247 1.00 3.95 C ATOM 24 CD1 ILE A 2 10.949 5.243 7.497 1.00 4.45 C ATOM 25 H ILE A 2 13.456 2.839 4.118 1.00 3.73 H ATOM 26 HA ILE A 2 11.269 2.381 4.484 1.00 3.33 H ATOM 27 HB ILE A 2 10.934 5.381 4.716 1.00 3.84 H ATOM 28 HG12 ILE A 2 11.333 3.270 6.852 1.00 4.24 H ATOM 29 HG13 ILE A 2 12.533 4.454 6.345 1.00 4.21 H ATOM 30 HG21 ILE A 2 9.127 3.147 5.632 1.00 4.15 H ATOM 31 HG22 ILE A 2 8.817 4.237 4.282 1.00 4.32 H ATOM 32 HG23 ILE A 2 8.877 4.867 5.928 1.00 4.23 H ATOM 33 HD11 ILE A 2 11.143 6.253 7.172 1.00 4.75 H ATOM 34 HD12 ILE A 2 11.441 5.068 8.442 1.00 4.72 H ATOM 35 HD13 ILE A 2 9.885 5.101 7.614 1.00 4.70 H ATOM 36 N ILE A 3 10.650 2.382 2.026 1.00 2.42 N ATOM 37 CA ILE A 3 9.958 2.354 0.750 1.00 1.99 C ATOM 38 C ILE A 3 8.527 1.890 0.947 1.00 1.72 C ATOM 39 O ILE A 3 8.225 0.697 0.877 1.00 1.80 O ATOM 40 CB ILE A 3 10.633 1.421 -0.265 1.00 2.08 C ATOM 41 CG1 ILE A 3 12.145 1.652 -0.294 1.00 2.47 C ATOM 42 CG2 ILE A 3 10.038 1.635 -1.653 1.00 1.90 C ATOM 43 CD1 ILE A 3 12.885 0.718 -1.227 1.00 2.90 C ATOM 44 H ILE A 3 11.090 1.570 2.354 1.00 2.62 H ATOM 45 HA ILE A 3 9.952 3.356 0.347 1.00 2.04 H ATOM 46 HB ILE A 3 10.430 0.410 0.035 1.00 2.20 H ATOM 47 HG12 ILE A 3 12.341 2.663 -0.616 1.00 2.70 H ATOM 48 HG13 ILE A 3 12.543 1.512 0.700 1.00 2.77 H ATOM 49 HG21 ILE A 3 10.508 0.961 -2.353 1.00 2.14 H ATOM 50 HG22 ILE A 3 10.210 2.655 -1.964 1.00 2.12 H ATOM 51 HG23 ILE A 3 8.977 1.442 -1.623 1.00 2.18 H ATOM 52 HD11 ILE A 3 12.538 0.870 -2.238 1.00 3.27 H ATOM 53 HD12 ILE A 3 12.700 -0.305 -0.933 1.00 3.27 H ATOM 54 HD13 ILE A 3 13.944 0.921 -1.175 1.00 3.15 H ATOM 55 N ASN A 4 7.659 2.837 1.206 1.00 1.59 N ATOM 56 CA ASN A 4 6.244 2.556 1.326 1.00 1.47 C ATOM 57 C ASN A 4 5.614 2.589 -0.060 1.00 1.08 C ATOM 58 O ASN A 4 5.338 3.651 -0.615 1.00 1.14 O ATOM 59 CB ASN A 4 5.575 3.549 2.291 1.00 1.84 C ATOM 60 CG ASN A 4 5.797 5.003 1.913 1.00 1.94 C ATOM 61 OD1 ASN A 4 6.859 5.571 2.178 1.00 2.63 O ATOM 62 ND2 ASN A 4 4.785 5.628 1.333 1.00 2.01 N ATOM 63 H ASN A 4 7.980 3.752 1.313 1.00 1.72 H ATOM 64 HA ASN A 4 6.143 1.558 1.725 1.00 1.58 H ATOM 65 HB2 ASN A 4 4.513 3.365 2.305 1.00 2.23 H ATOM 66 HB3 ASN A 4 5.972 3.392 3.285 1.00 2.18 H ATOM 67 HD21 ASN A 4 3.953 5.125 1.181 1.00 2.26 H ATOM 68 HD22 ASN A 4 4.905 6.565 1.077 1.00 2.28 H ATOM 69 N ALA A 5 5.424 1.409 -0.629 1.00 0.89 N ATOM 70 CA ALA A 5 4.951 1.287 -1.998 1.00 0.65 C ATOM 71 C ALA A 5 3.484 1.674 -2.109 1.00 0.56 C ATOM 72 O ALA A 5 2.625 1.054 -1.484 1.00 0.60 O ATOM 73 CB ALA A 5 5.169 -0.131 -2.504 1.00 0.80 C ATOM 74 H ALA A 5 5.603 0.597 -0.109 1.00 1.05 H ATOM 75 HA ALA A 5 5.537 1.955 -2.611 1.00 0.71 H ATOM 76 HB1 ALA A 5 4.887 -0.188 -3.546 1.00 1.35 H ATOM 77 HB2 ALA A 5 4.562 -0.815 -1.930 1.00 1.32 H ATOM 78 HB3 ALA A 5 6.210 -0.397 -2.399 1.00 1.34 H ATOM 79 N PRO A 6 3.179 2.704 -2.911 1.00 0.64 N ATOM 80 CA PRO A 6 1.809 3.181 -3.090 1.00 0.70 C ATOM 81 C PRO A 6 0.969 2.210 -3.914 1.00 0.57 C ATOM 82 O PRO A 6 1.475 1.558 -4.830 1.00 0.65 O ATOM 83 CB PRO A 6 1.988 4.505 -3.836 1.00 0.95 C ATOM 84 CG PRO A 6 3.279 4.359 -4.565 1.00 1.21 C ATOM 85 CD PRO A 6 4.149 3.484 -3.705 1.00 0.87 C ATOM 86 HA PRO A 6 1.324 3.360 -2.141 1.00 0.78 H ATOM 87 HB2 PRO A 6 1.163 4.651 -4.518 1.00 1.00 H ATOM 88 HB3 PRO A 6 2.025 5.320 -3.128 1.00 1.12 H ATOM 89 HG2 PRO A 6 3.106 3.889 -5.522 1.00 1.50 H ATOM 90 HG3 PRO A 6 3.736 5.327 -4.699 1.00 1.58 H ATOM 91 HD2 PRO A 6 4.753 2.834 -4.320 1.00 0.93 H ATOM 92 HD3 PRO A 6 4.773 4.088 -3.064 1.00 0.93 H ATOM 93 N ASN A 7 -0.304 2.105 -3.571 1.00 0.50 N ATOM 94 CA ASN A 7 -1.229 1.252 -4.305 1.00 0.42 C ATOM 95 C ASN A 7 -2.099 2.139 -5.192 1.00 0.48 C ATOM 96 O ASN A 7 -1.749 3.292 -5.432 1.00 0.56 O ATOM 97 CB ASN A 7 -2.096 0.452 -3.318 1.00 0.30 C ATOM 98 CG ASN A 7 -2.630 -0.851 -3.898 1.00 0.38 C ATOM 99 OD1 ASN A 7 -2.820 -0.983 -5.107 1.00 0.74 O ATOM 100 ND2 ASN A 7 -2.876 -1.825 -3.035 1.00 0.19 N ATOM 101 H ASN A 7 -0.639 2.630 -2.811 1.00 0.58 H ATOM 102 HA ASN A 7 -0.657 0.576 -4.922 1.00 0.49 H ATOM 103 HB2 ASN A 7 -1.505 0.215 -2.446 1.00 0.29 H ATOM 104 HB3 ASN A 7 -2.937 1.061 -3.019 1.00 0.33 H ATOM 105 HD21 ASN A 7 -2.702 -1.660 -2.080 1.00 0.27 H ATOM 106 HD22 ASN A 7 -3.229 -2.671 -3.383 1.00 0.26 H ATOM 107 N ARG A 8 -3.217 1.618 -5.683 1.00 0.51 N ATOM 108 CA ARG A 8 -4.187 2.454 -6.384 1.00 0.62 C ATOM 109 C ARG A 8 -4.731 3.469 -5.392 1.00 0.51 C ATOM 110 O ARG A 8 -5.060 4.605 -5.734 1.00 0.57 O ATOM 111 CB ARG A 8 -5.332 1.619 -6.978 1.00 0.75 C ATOM 112 CG ARG A 8 -4.944 0.770 -8.188 1.00 1.16 C ATOM 113 CD ARG A 8 -3.981 -0.338 -7.812 1.00 1.75 C ATOM 114 NE ARG A 8 -3.703 -1.251 -8.914 1.00 2.48 N ATOM 115 CZ ARG A 8 -2.920 -2.320 -8.793 1.00 3.42 C ATOM 116 NH1 ARG A 8 -2.322 -2.573 -7.635 1.00 3.83 N ATOM 117 NH2 ARG A 8 -2.730 -3.132 -9.823 1.00 4.36 N ATOM 118 H ARG A 8 -3.393 0.659 -5.568 1.00 0.50 H ATOM 119 HA ARG A 8 -3.670 2.977 -7.177 1.00 0.73 H ATOM 120 HB2 ARG A 8 -5.706 0.954 -6.213 1.00 0.92 H ATOM 121 HB3 ARG A 8 -6.126 2.285 -7.276 1.00 1.07 H ATOM 122 HG2 ARG A 8 -5.834 0.330 -8.608 1.00 1.64 H ATOM 123 HG3 ARG A 8 -4.475 1.408 -8.924 1.00 1.67 H ATOM 124 HD2 ARG A 8 -3.051 0.110 -7.494 1.00 2.27 H ATOM 125 HD3 ARG A 8 -4.405 -0.899 -6.992 1.00 2.17 H ATOM 126 HE ARG A 8 -4.127 -1.061 -9.782 1.00 2.70 H ATOM 127 HH11 ARG A 8 -2.458 -1.962 -6.851 1.00 3.58 H ATOM 128 HH12 ARG A 8 -1.729 -3.380 -7.538 1.00 4.66 H ATOM 129 HH21 ARG A 8 -3.176 -2.946 -10.701 1.00 4.53 H ATOM 130 HH22 ARG A 8 -2.144 -3.942 -9.727 1.00 5.09 H ATOM 131 N CYS A 9 -4.803 3.023 -4.149 1.00 0.38 N ATOM 132 CA CYS A 9 -5.091 3.880 -3.017 1.00 0.29 C ATOM 133 C CYS A 9 -3.882 4.776 -2.748 1.00 0.22 C ATOM 134 O CYS A 9 -2.748 4.292 -2.700 1.00 0.30 O ATOM 135 CB CYS A 9 -5.382 2.992 -1.811 1.00 0.31 C ATOM 136 SG CYS A 9 -6.560 1.650 -2.177 1.00 0.45 S ATOM 137 H CYS A 9 -4.656 2.071 -3.985 1.00 0.38 H ATOM 138 HA CYS A 9 -5.953 4.485 -3.247 1.00 0.32 H ATOM 139 HB2 CYS A 9 -4.457 2.538 -1.479 1.00 0.28 H ATOM 140 HB3 CYS A 9 -5.797 3.584 -1.010 1.00 0.31 H ATOM 141 N PRO A 10 -4.108 6.088 -2.592 1.00 0.21 N ATOM 142 CA PRO A 10 -3.027 7.070 -2.421 1.00 0.27 C ATOM 143 C PRO A 10 -2.291 6.927 -1.085 1.00 0.19 C ATOM 144 O PRO A 10 -2.719 6.151 -0.223 1.00 0.15 O ATOM 145 CB PRO A 10 -3.761 8.412 -2.490 1.00 0.39 C ATOM 146 CG PRO A 10 -5.151 8.106 -2.057 1.00 0.38 C ATOM 147 CD PRO A 10 -5.439 6.724 -2.568 1.00 0.28 C ATOM 148 HA PRO A 10 -2.311 7.009 -3.228 1.00 0.37 H ATOM 149 HB2 PRO A 10 -3.287 9.119 -1.825 1.00 0.46 H ATOM 150 HB3 PRO A 10 -3.737 8.788 -3.501 1.00 0.49 H ATOM 151 HG2 PRO A 10 -5.214 8.128 -0.978 1.00 0.41 H ATOM 152 HG3 PRO A 10 -5.837 8.816 -2.490 1.00 0.47 H ATOM 153 HD2 PRO A 10 -6.104 6.204 -1.895 1.00 0.33 H ATOM 154 HD3 PRO A 10 -5.862 6.770 -3.560 1.00 0.32 H ATOM 155 N PRO A 11 -1.165 7.665 -0.912 1.00 0.22 N ATOM 156 CA PRO A 11 -0.400 7.702 0.339 1.00 0.21 C ATOM 157 C PRO A 11 -1.289 7.658 1.575 1.00 0.17 C ATOM 158 O PRO A 11 -2.280 8.386 1.679 1.00 0.24 O ATOM 159 CB PRO A 11 0.328 9.037 0.240 1.00 0.29 C ATOM 160 CG PRO A 11 0.599 9.198 -1.216 1.00 0.35 C ATOM 161 CD PRO A 11 -0.533 8.513 -1.944 1.00 0.33 C ATOM 162 HA PRO A 11 0.320 6.900 0.385 1.00 0.25 H ATOM 163 HB2 PRO A 11 -0.308 9.825 0.617 1.00 0.31 H ATOM 164 HB3 PRO A 11 1.243 8.997 0.811 1.00 0.35 H ATOM 165 HG2 PRO A 11 0.625 10.247 -1.468 1.00 0.42 H ATOM 166 HG3 PRO A 11 1.540 8.731 -1.465 1.00 0.45 H ATOM 167 HD2 PRO A 11 -1.233 9.243 -2.322 1.00 0.40 H ATOM 168 HD3 PRO A 11 -0.148 7.909 -2.753 1.00 0.44 H ATOM 169 N GLY A 12 -0.930 6.796 2.506 1.00 0.16 N ATOM 170 CA GLY A 12 -1.799 6.493 3.618 1.00 0.17 C ATOM 171 C GLY A 12 -2.245 5.056 3.533 1.00 0.11 C ATOM 172 O GLY A 12 -2.661 4.451 4.521 1.00 0.14 O ATOM 173 H GLY A 12 -0.057 6.348 2.437 1.00 0.21 H ATOM 174 HA2 GLY A 12 -1.264 6.652 4.543 1.00 0.23 H ATOM 175 HA3 GLY A 12 -2.664 7.137 3.585 1.00 0.20 H ATOM 176 N HIS A 13 -2.167 4.517 2.323 1.00 0.12 N ATOM 177 CA HIS A 13 -2.386 3.104 2.094 1.00 0.13 C ATOM 178 C HIS A 13 -1.351 2.588 1.108 1.00 0.18 C ATOM 179 O HIS A 13 -1.162 3.163 0.037 1.00 0.36 O ATOM 180 CB HIS A 13 -3.780 2.819 1.539 1.00 0.20 C ATOM 181 CG HIS A 13 -4.908 3.394 2.342 1.00 0.28 C ATOM 182 ND1 HIS A 13 -5.335 4.700 2.222 1.00 0.44 N ATOM 183 CD2 HIS A 13 -5.707 2.827 3.274 1.00 0.41 C ATOM 184 CE1 HIS A 13 -6.344 4.909 3.046 1.00 0.49 C ATOM 185 NE2 HIS A 13 -6.590 3.790 3.695 1.00 0.47 N ATOM 186 H HIS A 13 -1.947 5.093 1.557 1.00 0.16 H ATOM 187 HA HIS A 13 -2.265 2.589 3.038 1.00 0.13 H ATOM 188 HB2 HIS A 13 -3.845 3.217 0.540 1.00 0.25 H ATOM 189 HB3 HIS A 13 -3.911 1.743 1.503 1.00 0.22 H ATOM 190 HD1 HIS A 13 -4.949 5.382 1.625 1.00 0.58 H ATOM 191 HD2 HIS A 13 -5.662 1.803 3.617 1.00 0.56 H ATOM 192 HE1 HIS A 13 -6.878 5.840 3.167 1.00 0.63 H ATOM 193 HE2 HIS A 13 -7.372 3.634 4.273 1.00 0.61 H ATOM 194 N VAL A 14 -0.699 1.503 1.463 1.00 0.11 N ATOM 195 CA VAL A 14 0.354 0.943 0.631 1.00 0.13 C ATOM 196 C VAL A 14 -0.084 -0.370 0.006 1.00 0.11 C ATOM 197 O VAL A 14 -0.998 -1.025 0.502 1.00 0.15 O ATOM 198 CB VAL A 14 1.648 0.720 1.440 1.00 0.19 C ATOM 199 CG1 VAL A 14 2.166 2.040 1.990 1.00 0.26 C ATOM 200 CG2 VAL A 14 1.422 -0.280 2.568 1.00 0.23 C ATOM 201 H VAL A 14 -0.931 1.064 2.310 1.00 0.16 H ATOM 202 HA VAL A 14 0.559 1.649 -0.160 1.00 0.16 H ATOM 203 HB VAL A 14 2.397 0.315 0.775 1.00 0.23 H ATOM 204 HG11 VAL A 14 3.044 1.860 2.591 1.00 1.02 H ATOM 205 HG12 VAL A 14 1.399 2.499 2.600 1.00 1.05 H ATOM 206 HG13 VAL A 14 2.417 2.698 1.171 1.00 1.07 H ATOM 207 HG21 VAL A 14 2.343 -0.420 3.113 1.00 1.05 H ATOM 208 HG22 VAL A 14 1.100 -1.223 2.154 1.00 1.05 H ATOM 209 HG23 VAL A 14 0.662 0.099 3.236 1.00 1.04 H ATOM 210 N VAL A 15 0.563 -0.745 -1.089 1.00 0.16 N ATOM 211 CA VAL A 15 0.217 -1.964 -1.796 1.00 0.17 C ATOM 212 C VAL A 15 0.912 -3.180 -1.190 1.00 0.18 C ATOM 213 O VAL A 15 2.111 -3.403 -1.372 1.00 0.28 O ATOM 214 CB VAL A 15 0.526 -1.861 -3.308 1.00 0.24 C ATOM 215 CG1 VAL A 15 1.975 -1.474 -3.560 1.00 0.42 C ATOM 216 CG2 VAL A 15 0.178 -3.165 -4.014 1.00 0.37 C ATOM 217 H VAL A 15 1.297 -0.184 -1.429 1.00 0.23 H ATOM 218 HA VAL A 15 -0.850 -2.101 -1.690 1.00 0.14 H ATOM 219 HB VAL A 15 -0.097 -1.083 -3.720 1.00 0.42 H ATOM 220 HG11 VAL A 15 2.167 -0.502 -3.132 1.00 1.13 H ATOM 221 HG12 VAL A 15 2.160 -1.443 -4.624 1.00 1.12 H ATOM 222 HG13 VAL A 15 2.627 -2.203 -3.103 1.00 1.12 H ATOM 223 HG21 VAL A 15 0.811 -3.955 -3.639 1.00 1.12 H ATOM 224 HG22 VAL A 15 0.331 -3.053 -5.076 1.00 1.10 H ATOM 225 HG23 VAL A 15 -0.857 -3.414 -3.820 1.00 1.09 H ATOM 226 N VAL A 16 0.146 -3.941 -0.436 1.00 0.14 N ATOM 227 CA VAL A 16 0.609 -5.189 0.121 1.00 0.18 C ATOM 228 C VAL A 16 -0.413 -6.282 -0.174 1.00 0.14 C ATOM 229 O VAL A 16 -1.593 -6.136 0.141 1.00 0.21 O ATOM 230 CB VAL A 16 0.840 -5.049 1.639 1.00 0.29 C ATOM 231 CG1 VAL A 16 -0.412 -4.536 2.335 1.00 0.51 C ATOM 232 CG2 VAL A 16 1.297 -6.368 2.245 1.00 0.55 C ATOM 233 H VAL A 16 -0.767 -3.641 -0.227 1.00 0.14 H ATOM 234 HA VAL A 16 1.548 -5.442 -0.350 1.00 0.24 H ATOM 235 HB VAL A 16 1.621 -4.322 1.787 1.00 0.50 H ATOM 236 HG11 VAL A 16 -0.694 -3.577 1.914 1.00 1.17 H ATOM 237 HG12 VAL A 16 -0.215 -4.419 3.391 1.00 1.17 H ATOM 238 HG13 VAL A 16 -1.217 -5.240 2.194 1.00 1.19 H ATOM 239 HG21 VAL A 16 0.535 -7.118 2.089 1.00 1.20 H ATOM 240 HG22 VAL A 16 1.463 -6.240 3.304 1.00 1.18 H ATOM 241 HG23 VAL A 16 2.214 -6.684 1.771 1.00 1.21 H ATOM 242 N LYS A 17 0.034 -7.348 -0.836 1.00 0.20 N ATOM 243 CA LYS A 17 -0.849 -8.448 -1.223 1.00 0.30 C ATOM 244 C LYS A 17 -1.937 -7.952 -2.176 1.00 0.25 C ATOM 245 O LYS A 17 -3.027 -8.519 -2.250 1.00 0.33 O ATOM 246 CB LYS A 17 -1.488 -9.087 0.016 1.00 0.44 C ATOM 247 CG LYS A 17 -0.486 -9.744 0.954 1.00 0.92 C ATOM 248 CD LYS A 17 -1.115 -10.073 2.299 1.00 1.34 C ATOM 249 CE LYS A 17 -2.326 -10.978 2.150 1.00 2.04 C ATOM 250 NZ LYS A 17 -2.974 -11.250 3.458 1.00 2.67 N ATOM 251 H LYS A 17 0.985 -7.396 -1.073 1.00 0.27 H ATOM 252 HA LYS A 17 -0.253 -9.189 -1.733 1.00 0.40 H ATOM 253 HB2 LYS A 17 -2.015 -8.323 0.567 1.00 0.83 H ATOM 254 HB3 LYS A 17 -2.193 -9.838 -0.305 1.00 0.81 H ATOM 255 HG2 LYS A 17 -0.129 -10.657 0.503 1.00 1.38 H ATOM 256 HG3 LYS A 17 0.343 -9.068 1.110 1.00 1.42 H ATOM 257 HD2 LYS A 17 -0.382 -10.572 2.914 1.00 1.78 H ATOM 258 HD3 LYS A 17 -1.420 -9.154 2.777 1.00 1.80 H ATOM 259 HE2 LYS A 17 -3.040 -10.499 1.498 1.00 2.51 H ATOM 260 HE3 LYS A 17 -2.010 -11.914 1.712 1.00 2.53 H ATOM 261 HZ1 LYS A 17 -3.238 -10.391 3.895 1.00 3.04 H ATOM 262 HZ2 LYS A 17 -2.346 -11.736 4.063 1.00 3.03 H ATOM 263 HZ3 LYS A 17 -3.792 -11.810 3.325 1.00 3.03 H ATOM 264 N GLY A 18 -1.629 -6.885 -2.901 1.00 0.21 N ATOM 265 CA GLY A 18 -2.595 -6.288 -3.803 1.00 0.25 C ATOM 266 C GLY A 18 -3.664 -5.504 -3.065 1.00 0.26 C ATOM 267 O GLY A 18 -4.689 -5.139 -3.639 1.00 0.51 O ATOM 268 H GLY A 18 -0.727 -6.503 -2.831 1.00 0.23 H ATOM 269 HA2 GLY A 18 -2.078 -5.623 -4.477 1.00 0.29 H ATOM 270 HA3 GLY A 18 -3.068 -7.070 -4.378 1.00 0.28 H ATOM 271 N ARG A 19 -3.415 -5.241 -1.796 1.00 0.12 N ATOM 272 CA ARG A 19 -4.356 -4.549 -0.941 1.00 0.16 C ATOM 273 C ARG A 19 -3.725 -3.287 -0.390 1.00 0.12 C ATOM 274 O ARG A 19 -2.518 -3.236 -0.167 1.00 0.18 O ATOM 275 CB ARG A 19 -4.783 -5.494 0.178 1.00 0.28 C ATOM 276 CG ARG A 19 -5.029 -4.848 1.530 1.00 0.68 C ATOM 277 CD ARG A 19 -6.386 -4.157 1.608 1.00 0.94 C ATOM 278 NE ARG A 19 -7.478 -5.039 1.197 1.00 1.06 N ATOM 279 CZ ARG A 19 -8.478 -5.418 1.992 1.00 1.47 C ATOM 280 NH1 ARG A 19 -8.556 -4.965 3.238 1.00 1.66 N ATOM 281 NH2 ARG A 19 -9.408 -6.248 1.536 1.00 1.91 N ATOM 282 H ARG A 19 -2.560 -5.527 -1.405 1.00 0.20 H ATOM 283 HA ARG A 19 -5.222 -4.288 -1.530 1.00 0.22 H ATOM 284 HB2 ARG A 19 -5.696 -5.958 -0.129 1.00 0.79 H ATOM 285 HB3 ARG A 19 -4.026 -6.256 0.298 1.00 0.80 H ATOM 286 HG2 ARG A 19 -4.980 -5.610 2.293 1.00 1.15 H ATOM 287 HG3 ARG A 19 -4.251 -4.118 1.701 1.00 1.10 H ATOM 288 HD2 ARG A 19 -6.555 -3.843 2.624 1.00 1.23 H ATOM 289 HD3 ARG A 19 -6.373 -3.294 0.964 1.00 1.42 H ATOM 290 HE ARG A 19 -7.460 -5.371 0.269 1.00 1.10 H ATOM 291 HH11 ARG A 19 -7.863 -4.334 3.593 1.00 1.58 H ATOM 292 HH12 ARG A 19 -9.315 -5.249 3.833 1.00 2.02 H ATOM 293 HH21 ARG A 19 -9.359 -6.591 0.596 1.00 1.98 H ATOM 294 HH22 ARG A 19 -10.163 -6.535 2.129 1.00 2.27 H ATOM 295 N CYS A 20 -4.532 -2.262 -0.210 1.00 0.12 N ATOM 296 CA CYS A 20 -4.041 -1.006 0.328 1.00 0.13 C ATOM 297 C CYS A 20 -4.096 -1.028 1.852 1.00 0.13 C ATOM 298 O CYS A 20 -5.165 -0.904 2.449 1.00 0.22 O ATOM 299 CB CYS A 20 -4.849 0.173 -0.202 1.00 0.24 C ATOM 300 SG CYS A 20 -5.457 -0.026 -1.903 1.00 1.00 S ATOM 301 H CYS A 20 -5.483 -2.357 -0.445 1.00 0.17 H ATOM 302 HA CYS A 20 -3.011 -0.895 0.021 1.00 0.16 H ATOM 303 HB2 CYS A 20 -5.699 0.341 0.436 1.00 0.96 H ATOM 304 HB3 CYS A 20 -4.223 1.052 -0.186 1.00 0.83 H ATOM 305 N ARG A 21 -2.935 -1.184 2.463 1.00 0.11 N ATOM 306 CA ARG A 21 -2.824 -1.286 3.913 1.00 0.15 C ATOM 307 C ARG A 21 -2.553 0.088 4.508 1.00 0.11 C ATOM 308 O ARG A 21 -1.881 0.905 3.890 1.00 0.15 O ATOM 309 CB ARG A 21 -1.699 -2.266 4.270 1.00 0.25 C ATOM 310 CG ARG A 21 -1.611 -2.634 5.747 1.00 0.75 C ATOM 311 CD ARG A 21 -0.721 -1.681 6.529 1.00 0.82 C ATOM 312 NE ARG A 21 0.680 -1.765 6.115 1.00 0.79 N ATOM 313 CZ ARG A 21 1.693 -1.248 6.809 1.00 1.18 C ATOM 314 NH1 ARG A 21 1.460 -0.573 7.929 1.00 1.84 N ATOM 315 NH2 ARG A 21 2.937 -1.397 6.375 1.00 1.28 N ATOM 316 H ARG A 21 -2.119 -1.224 1.919 1.00 0.13 H ATOM 317 HA ARG A 21 -3.759 -1.659 4.297 1.00 0.22 H ATOM 318 HB2 ARG A 21 -1.845 -3.175 3.707 1.00 0.70 H ATOM 319 HB3 ARG A 21 -0.756 -1.825 3.978 1.00 0.73 H ATOM 320 HG2 ARG A 21 -2.603 -2.608 6.171 1.00 1.35 H ATOM 321 HG3 ARG A 21 -1.211 -3.634 5.831 1.00 1.24 H ATOM 322 HD2 ARG A 21 -1.070 -0.672 6.369 1.00 1.08 H ATOM 323 HD3 ARG A 21 -0.792 -1.924 7.578 1.00 1.18 H ATOM 324 HE ARG A 21 0.877 -2.246 5.279 1.00 0.97 H ATOM 325 HH11 ARG A 21 0.520 -0.450 8.258 1.00 1.95 H ATOM 326 HH12 ARG A 21 2.224 -0.184 8.454 1.00 2.35 H ATOM 327 HH21 ARG A 21 3.117 -1.898 5.525 1.00 1.21 H ATOM 328 HH22 ARG A 21 3.705 -1.022 6.902 1.00 1.69 H ATOM 329 N ILE A 22 -3.087 0.331 5.698 1.00 0.14 N ATOM 330 CA ILE A 22 -2.934 1.620 6.370 1.00 0.16 C ATOM 331 C ILE A 22 -1.466 1.910 6.672 1.00 0.17 C ATOM 332 O ILE A 22 -0.897 1.333 7.603 1.00 0.31 O ATOM 333 CB ILE A 22 -3.698 1.657 7.710 1.00 0.28 C ATOM 334 CG1 ILE A 22 -5.114 1.084 7.571 1.00 0.39 C ATOM 335 CG2 ILE A 22 -3.756 3.082 8.243 1.00 0.33 C ATOM 336 CD1 ILE A 22 -5.991 1.832 6.590 1.00 1.22 C ATOM 337 H ILE A 22 -3.598 -0.380 6.142 1.00 0.20 H ATOM 338 HA ILE A 22 -3.327 2.391 5.723 1.00 0.18 H ATOM 339 HB ILE A 22 -3.141 1.061 8.417 1.00 0.32 H ATOM 340 HG12 ILE A 22 -5.050 0.060 7.239 1.00 1.13 H ATOM 341 HG13 ILE A 22 -5.599 1.111 8.535 1.00 1.18 H ATOM 342 HG21 ILE A 22 -4.282 3.708 7.538 1.00 1.07 H ATOM 343 HG22 ILE A 22 -2.754 3.458 8.379 1.00 1.08 H ATOM 344 HG23 ILE A 22 -4.276 3.091 9.190 1.00 1.08 H ATOM 345 HD11 ILE A 22 -6.098 2.857 6.911 1.00 1.81 H ATOM 346 HD12 ILE A 22 -6.964 1.365 6.547 1.00 1.85 H ATOM 347 HD13 ILE A 22 -5.537 1.808 5.612 1.00 1.82 H ATOM 348 N ALA A 23 -0.864 2.799 5.896 1.00 0.17 N ATOM 349 CA ALA A 23 0.525 3.173 6.096 1.00 0.23 C ATOM 350 C ALA A 23 0.850 4.447 5.328 1.00 0.40 C ATOM 351 O ALA A 23 0.875 4.403 4.085 1.00 0.64 O ATOM 352 CB ALA A 23 1.443 2.038 5.679 1.00 0.35 C ATOM 353 OXT ALA A 23 1.074 5.493 5.975 1.00 1.33 O ATOM 354 H ALA A 23 -1.367 3.217 5.160 1.00 0.25 H ATOM 355 HA ALA A 23 0.670 3.354 7.151 1.00 0.28 H ATOM 356 HB1 ALA A 23 1.170 1.143 6.223 1.00 1.12 H ATOM 357 HB2 ALA A 23 2.466 2.299 5.902 1.00 1.08 H ATOM 358 HB3 ALA A 23 1.337 1.859 4.620 1.00 1.09 H TER 359 ALA A 23 ENDMDL MODEL 13 ATOM 1 N THR A 1 15.309 -0.447 7.417 1.00 4.74 N ATOM 2 CA THR A 1 14.587 0.619 6.698 1.00 4.28 C ATOM 3 C THR A 1 13.292 0.075 6.111 1.00 3.85 C ATOM 4 O THR A 1 13.153 -1.132 5.915 1.00 4.08 O ATOM 5 CB THR A 1 15.458 1.207 5.572 1.00 4.65 C ATOM 6 OG1 THR A 1 15.996 0.151 4.763 1.00 5.17 O ATOM 7 CG2 THR A 1 16.592 2.039 6.144 1.00 4.88 C ATOM 8 H1 THR A 1 16.146 -0.085 7.827 1.00 4.93 H ATOM 9 H2 THR A 1 15.551 -1.180 6.786 1.00 4.98 H ATOM 10 H3 THR A 1 14.731 -0.824 8.139 1.00 5.05 H ATOM 11 HA THR A 1 14.352 1.407 7.399 1.00 4.46 H ATOM 12 HB THR A 1 14.840 1.842 4.955 1.00 4.91 H ATOM 13 HG1 THR A 1 16.070 0.456 3.849 1.00 5.46 H ATOM 14 HG21 THR A 1 17.216 1.417 6.768 1.00 5.08 H ATOM 15 HG22 THR A 1 16.184 2.846 6.734 1.00 5.10 H ATOM 16 HG23 THR A 1 17.184 2.446 5.336 1.00 5.13 H ATOM 17 N ILE A 2 12.345 0.958 5.834 1.00 3.53 N ATOM 18 CA ILE A 2 11.059 0.550 5.290 1.00 3.22 C ATOM 19 C ILE A 2 10.706 1.396 4.068 1.00 2.69 C ATOM 20 O ILE A 2 10.857 2.618 4.081 1.00 2.69 O ATOM 21 CB ILE A 2 9.938 0.651 6.358 1.00 3.57 C ATOM 22 CG1 ILE A 2 8.586 0.212 5.781 1.00 3.97 C ATOM 23 CG2 ILE A 2 9.842 2.062 6.923 1.00 3.95 C ATOM 24 CD1 ILE A 2 8.544 -1.245 5.371 1.00 4.45 C ATOM 25 H ILE A 2 12.516 1.912 5.991 1.00 3.73 H ATOM 26 HA ILE A 2 11.144 -0.483 4.985 1.00 3.33 H ATOM 27 HB ILE A 2 10.197 -0.009 7.171 1.00 3.84 H ATOM 28 HG12 ILE A 2 7.819 0.368 6.523 1.00 4.24 H ATOM 29 HG13 ILE A 2 8.364 0.810 4.908 1.00 4.21 H ATOM 30 HG21 ILE A 2 10.784 2.331 7.378 1.00 4.15 H ATOM 31 HG22 ILE A 2 9.061 2.101 7.667 1.00 4.32 H ATOM 32 HG23 ILE A 2 9.617 2.756 6.127 1.00 4.23 H ATOM 33 HD11 ILE A 2 9.270 -1.422 4.593 1.00 4.75 H ATOM 34 HD12 ILE A 2 7.557 -1.487 5.005 1.00 4.72 H ATOM 35 HD13 ILE A 2 8.772 -1.866 6.225 1.00 4.70 H ATOM 36 N ILE A 3 10.264 0.740 3.006 1.00 2.42 N ATOM 37 CA ILE A 3 9.879 1.433 1.787 1.00 1.99 C ATOM 38 C ILE A 3 8.389 1.249 1.530 1.00 1.72 C ATOM 39 O ILE A 3 7.907 0.121 1.393 1.00 1.80 O ATOM 40 CB ILE A 3 10.671 0.915 0.567 1.00 2.08 C ATOM 41 CG1 ILE A 3 12.177 0.964 0.845 1.00 2.47 C ATOM 42 CG2 ILE A 3 10.332 1.733 -0.673 1.00 1.90 C ATOM 43 CD1 ILE A 3 13.020 0.347 -0.251 1.00 2.90 C ATOM 44 H ILE A 3 10.192 -0.238 3.042 1.00 2.62 H ATOM 45 HA ILE A 3 10.091 2.485 1.915 1.00 2.04 H ATOM 46 HB ILE A 3 10.376 -0.105 0.385 1.00 2.20 H ATOM 47 HG12 ILE A 3 12.482 1.993 0.956 1.00 2.70 H ATOM 48 HG13 ILE A 3 12.384 0.432 1.763 1.00 2.77 H ATOM 49 HG21 ILE A 3 9.276 1.652 -0.880 1.00 2.14 H ATOM 50 HG22 ILE A 3 10.895 1.359 -1.514 1.00 2.12 H ATOM 51 HG23 ILE A 3 10.586 2.768 -0.501 1.00 2.18 H ATOM 52 HD11 ILE A 3 12.830 0.859 -1.182 1.00 3.27 H ATOM 53 HD12 ILE A 3 12.765 -0.697 -0.357 1.00 3.27 H ATOM 54 HD13 ILE A 3 14.065 0.438 0.004 1.00 3.15 H ATOM 55 N ASN A 4 7.659 2.350 1.478 1.00 1.59 N ATOM 56 CA ASN A 4 6.221 2.292 1.249 1.00 1.47 C ATOM 57 C ASN A 4 5.918 2.294 -0.247 1.00 1.08 C ATOM 58 O ASN A 4 6.338 3.191 -0.979 1.00 1.14 O ATOM 59 CB ASN A 4 5.500 3.453 1.959 1.00 1.84 C ATOM 60 CG ASN A 4 5.878 4.830 1.435 1.00 1.94 C ATOM 61 OD1 ASN A 4 6.856 5.430 1.882 1.00 2.63 O ATOM 62 ND2 ASN A 4 5.086 5.357 0.510 1.00 2.01 N ATOM 63 H ASN A 4 8.095 3.222 1.586 1.00 1.72 H ATOM 64 HA ASN A 4 5.868 1.360 1.665 1.00 1.58 H ATOM 65 HB2 ASN A 4 4.436 3.331 1.835 1.00 2.23 H ATOM 66 HB3 ASN A 4 5.735 3.416 3.014 1.00 2.18 H ATOM 67 HD21 ASN A 4 4.308 4.840 0.216 1.00 2.26 H ATOM 68 HD22 ASN A 4 5.314 6.243 0.158 1.00 2.28 H ATOM 69 N ALA A 5 5.223 1.266 -0.705 1.00 0.89 N ATOM 70 CA ALA A 5 4.846 1.171 -2.104 1.00 0.65 C ATOM 71 C ALA A 5 3.393 1.589 -2.292 1.00 0.56 C ATOM 72 O ALA A 5 2.486 0.956 -1.754 1.00 0.60 O ATOM 73 CB ALA A 5 5.062 -0.245 -2.611 1.00 0.80 C ATOM 74 H ALA A 5 4.950 0.558 -0.090 1.00 1.05 H ATOM 75 HA ALA A 5 5.484 1.834 -2.670 1.00 0.71 H ATOM 76 HB1 ALA A 5 4.443 -0.927 -2.047 1.00 1.35 H ATOM 77 HB2 ALA A 5 6.100 -0.516 -2.490 1.00 1.32 H ATOM 78 HB3 ALA A 5 4.794 -0.298 -3.655 1.00 1.34 H ATOM 79 N PRO A 6 3.160 2.659 -3.058 1.00 0.64 N ATOM 80 CA PRO A 6 1.810 3.160 -3.339 1.00 0.70 C ATOM 81 C PRO A 6 0.951 2.149 -4.093 1.00 0.57 C ATOM 82 O PRO A 6 1.409 1.501 -5.038 1.00 0.65 O ATOM 83 CB PRO A 6 2.047 4.396 -4.213 1.00 0.95 C ATOM 84 CG PRO A 6 3.474 4.763 -4.000 1.00 1.21 C ATOM 85 CD PRO A 6 4.197 3.485 -3.688 1.00 0.87 C ATOM 86 HA PRO A 6 1.303 3.452 -2.432 1.00 0.78 H ATOM 87 HB2 PRO A 6 1.856 4.147 -5.247 1.00 1.00 H ATOM 88 HB3 PRO A 6 1.385 5.191 -3.903 1.00 1.12 H ATOM 89 HG2 PRO A 6 3.874 5.211 -4.898 1.00 1.50 H ATOM 90 HG3 PRO A 6 3.555 5.450 -3.172 1.00 1.58 H ATOM 91 HD2 PRO A 6 4.561 3.021 -4.589 1.00 0.93 H ATOM 92 HD3 PRO A 6 5.010 3.673 -3.002 1.00 0.93 H ATOM 93 N ASN A 7 -0.291 2.013 -3.663 1.00 0.50 N ATOM 94 CA ASN A 7 -1.257 1.170 -4.353 1.00 0.42 C ATOM 95 C ASN A 7 -2.173 2.076 -5.173 1.00 0.48 C ATOM 96 O ASN A 7 -1.805 3.214 -5.461 1.00 0.56 O ATOM 97 CB ASN A 7 -2.064 0.351 -3.333 1.00 0.30 C ATOM 98 CG ASN A 7 -2.677 -0.913 -3.921 1.00 0.38 C ATOM 99 OD1 ASN A 7 -2.981 -0.986 -5.109 1.00 0.74 O ATOM 100 ND2 ASN A 7 -2.859 -1.921 -3.084 1.00 0.19 N ATOM 101 H ASN A 7 -0.574 2.506 -2.863 1.00 0.58 H ATOM 102 HA ASN A 7 -0.722 0.505 -5.014 1.00 0.49 H ATOM 103 HB2 ASN A 7 -1.412 0.064 -2.522 1.00 0.29 H ATOM 104 HB3 ASN A 7 -2.861 0.968 -2.944 1.00 0.33 H ATOM 105 HD21 ASN A 7 -2.590 -1.805 -2.145 1.00 0.27 H ATOM 106 HD22 ASN A 7 -3.262 -2.745 -3.435 1.00 0.26 H ATOM 107 N ARG A 8 -3.346 1.590 -5.554 1.00 0.51 N ATOM 108 CA ARG A 8 -4.343 2.439 -6.194 1.00 0.62 C ATOM 109 C ARG A 8 -4.811 3.480 -5.189 1.00 0.51 C ATOM 110 O ARG A 8 -5.109 4.620 -5.539 1.00 0.57 O ATOM 111 CB ARG A 8 -5.525 1.605 -6.688 1.00 0.75 C ATOM 112 CG ARG A 8 -5.132 0.500 -7.653 1.00 1.16 C ATOM 113 CD ARG A 8 -6.330 -0.353 -8.027 1.00 1.75 C ATOM 114 NE ARG A 8 -5.971 -1.439 -8.935 1.00 2.48 N ATOM 115 CZ ARG A 8 -6.766 -2.468 -9.214 1.00 3.42 C ATOM 116 NH1 ARG A 8 -7.964 -2.554 -8.648 1.00 3.83 N ATOM 117 NH2 ARG A 8 -6.367 -3.405 -10.064 1.00 4.36 N ATOM 118 H ARG A 8 -3.546 0.639 -5.407 1.00 0.50 H ATOM 119 HA ARG A 8 -3.876 2.936 -7.031 1.00 0.73 H ATOM 120 HB2 ARG A 8 -6.014 1.156 -5.839 1.00 0.92 H ATOM 121 HB3 ARG A 8 -6.223 2.258 -7.189 1.00 1.07 H ATOM 122 HG2 ARG A 8 -4.724 0.944 -8.549 1.00 1.64 H ATOM 123 HG3 ARG A 8 -4.387 -0.126 -7.186 1.00 1.67 H ATOM 124 HD2 ARG A 8 -6.750 -0.775 -7.127 1.00 2.27 H ATOM 125 HD3 ARG A 8 -7.068 0.275 -8.506 1.00 2.17 H ATOM 126 HE ARG A 8 -5.085 -1.393 -9.366 1.00 2.70 H ATOM 127 HH11 ARG A 8 -8.272 -1.845 -8.008 1.00 3.58 H ATOM 128 HH12 ARG A 8 -8.570 -3.326 -8.858 1.00 4.66 H ATOM 129 HH21 ARG A 8 -5.463 -3.337 -10.502 1.00 4.53 H ATOM 130 HH22 ARG A 8 -6.958 -4.189 -10.270 1.00 5.09 H ATOM 131 N CYS A 9 -4.865 3.059 -3.930 1.00 0.38 N ATOM 132 CA CYS A 9 -5.126 3.958 -2.819 1.00 0.29 C ATOM 133 C CYS A 9 -3.953 4.925 -2.646 1.00 0.22 C ATOM 134 O CYS A 9 -2.793 4.535 -2.797 1.00 0.30 O ATOM 135 CB CYS A 9 -5.335 3.147 -1.538 1.00 0.31 C ATOM 136 SG CYS A 9 -6.717 1.954 -1.636 1.00 0.45 S ATOM 137 H CYS A 9 -4.730 2.107 -3.747 1.00 0.38 H ATOM 138 HA CYS A 9 -6.021 4.519 -3.039 1.00 0.32 H ATOM 139 HB2 CYS A 9 -4.433 2.591 -1.322 1.00 0.28 H ATOM 140 HB3 CYS A 9 -5.540 3.822 -0.721 1.00 0.31 H ATOM 141 N PRO A 10 -4.249 6.200 -2.345 1.00 0.21 N ATOM 142 CA PRO A 10 -3.229 7.250 -2.202 1.00 0.27 C ATOM 143 C PRO A 10 -2.425 7.125 -0.907 1.00 0.19 C ATOM 144 O PRO A 10 -2.726 6.264 -0.074 1.00 0.15 O ATOM 145 CB PRO A 10 -4.068 8.532 -2.193 1.00 0.39 C ATOM 146 CG PRO A 10 -5.370 8.117 -1.615 1.00 0.38 C ATOM 147 CD PRO A 10 -5.610 6.723 -2.120 1.00 0.28 C ATOM 148 HA PRO A 10 -2.554 7.264 -3.044 1.00 0.37 H ATOM 149 HB2 PRO A 10 -3.582 9.279 -1.583 1.00 0.46 H ATOM 150 HB3 PRO A 10 -4.182 8.899 -3.202 1.00 0.49 H ATOM 151 HG2 PRO A 10 -5.312 8.121 -0.535 1.00 0.41 H ATOM 152 HG3 PRO A 10 -6.152 8.779 -1.952 1.00 0.47 H ATOM 153 HD2 PRO A 10 -6.129 6.137 -1.377 1.00 0.33 H ATOM 154 HD3 PRO A 10 -6.171 6.747 -3.043 1.00 0.32 H ATOM 155 N PRO A 11 -1.380 7.973 -0.735 1.00 0.22 N ATOM 156 CA PRO A 11 -0.572 8.030 0.490 1.00 0.21 C ATOM 157 C PRO A 11 -1.402 7.849 1.757 1.00 0.17 C ATOM 158 O PRO A 11 -2.367 8.580 2.002 1.00 0.24 O ATOM 159 CB PRO A 11 0.017 9.432 0.431 1.00 0.29 C ATOM 160 CG PRO A 11 0.213 9.688 -1.022 1.00 0.35 C ATOM 161 CD PRO A 11 -0.881 8.935 -1.742 1.00 0.33 C ATOM 162 HA PRO A 11 0.225 7.301 0.472 1.00 0.25 H ATOM 163 HB2 PRO A 11 -0.676 10.136 0.871 1.00 0.31 H ATOM 164 HB3 PRO A 11 0.953 9.456 0.966 1.00 0.35 H ATOM 165 HG2 PRO A 11 0.130 10.747 -1.222 1.00 0.42 H ATOM 166 HG3 PRO A 11 1.181 9.323 -1.331 1.00 0.45 H ATOM 167 HD2 PRO A 11 -1.665 9.612 -2.047 1.00 0.40 H ATOM 168 HD3 PRO A 11 -0.478 8.417 -2.600 1.00 0.44 H ATOM 169 N GLY A 12 -1.014 6.877 2.562 1.00 0.16 N ATOM 170 CA GLY A 12 -1.826 6.475 3.686 1.00 0.17 C ATOM 171 C GLY A 12 -2.209 5.025 3.542 1.00 0.11 C ATOM 172 O GLY A 12 -2.676 4.388 4.484 1.00 0.14 O ATOM 173 H GLY A 12 -0.160 6.417 2.392 1.00 0.21 H ATOM 174 HA2 GLY A 12 -1.266 6.612 4.600 1.00 0.23 H ATOM 175 HA3 GLY A 12 -2.720 7.077 3.717 1.00 0.20 H ATOM 176 N HIS A 13 -2.024 4.513 2.333 1.00 0.12 N ATOM 177 CA HIS A 13 -2.185 3.097 2.058 1.00 0.13 C ATOM 178 C HIS A 13 -1.090 2.618 1.120 1.00 0.18 C ATOM 179 O HIS A 13 -0.742 3.302 0.158 1.00 0.36 O ATOM 180 CB HIS A 13 -3.534 2.779 1.418 1.00 0.20 C ATOM 181 CG HIS A 13 -4.735 3.095 2.251 1.00 0.28 C ATOM 182 ND1 HIS A 13 -5.278 4.356 2.352 1.00 0.44 N ATOM 183 CD2 HIS A 13 -5.526 2.289 2.993 1.00 0.41 C ATOM 184 CE1 HIS A 13 -6.348 4.310 3.119 1.00 0.49 C ATOM 185 NE2 HIS A 13 -6.524 3.067 3.522 1.00 0.47 N ATOM 186 H HIS A 13 -1.761 5.111 1.597 1.00 0.16 H ATOM 187 HA HIS A 13 -2.104 2.564 2.995 1.00 0.13 H ATOM 188 HB2 HIS A 13 -3.621 3.325 0.494 1.00 0.25 H ATOM 189 HB3 HIS A 13 -3.558 1.721 1.205 1.00 0.22 H ATOM 190 HD1 HIS A 13 -4.926 5.173 1.930 1.00 0.58 H ATOM 191 HD2 HIS A 13 -5.401 1.223 3.132 1.00 0.56 H ATOM 192 HE1 HIS A 13 -6.976 5.149 3.374 1.00 0.63 H ATOM 193 HE2 HIS A 13 -7.352 2.724 3.930 1.00 0.61 H ATOM 194 N VAL A 14 -0.566 1.439 1.395 1.00 0.11 N ATOM 195 CA VAL A 14 0.451 0.841 0.547 1.00 0.13 C ATOM 196 C VAL A 14 -0.031 -0.493 0.002 1.00 0.11 C ATOM 197 O VAL A 14 -0.945 -1.103 0.559 1.00 0.15 O ATOM 198 CB VAL A 14 1.777 0.632 1.311 1.00 0.19 C ATOM 199 CG1 VAL A 14 2.283 1.948 1.874 1.00 0.26 C ATOM 200 CG2 VAL A 14 1.611 -0.400 2.418 1.00 0.23 C ATOM 201 H VAL A 14 -0.869 0.958 2.196 1.00 0.16 H ATOM 202 HA VAL A 14 0.628 1.512 -0.280 1.00 0.16 H ATOM 203 HB VAL A 14 2.513 0.261 0.612 1.00 0.23 H ATOM 204 HG11 VAL A 14 2.513 2.623 1.062 1.00 1.02 H ATOM 205 HG12 VAL A 14 3.172 1.771 2.462 1.00 1.05 H ATOM 206 HG13 VAL A 14 1.518 2.387 2.500 1.00 1.07 H ATOM 207 HG21 VAL A 14 2.542 -0.507 2.954 1.00 1.05 H ATOM 208 HG22 VAL A 14 1.334 -1.350 1.985 1.00 1.05 H ATOM 209 HG23 VAL A 14 0.837 -0.076 3.098 1.00 1.04 H ATOM 210 N VAL A 15 0.571 -0.941 -1.088 1.00 0.16 N ATOM 211 CA VAL A 15 0.170 -2.187 -1.714 1.00 0.17 C ATOM 212 C VAL A 15 0.844 -3.393 -1.064 1.00 0.18 C ATOM 213 O VAL A 15 2.007 -3.702 -1.319 1.00 0.28 O ATOM 214 CB VAL A 15 0.430 -2.177 -3.240 1.00 0.24 C ATOM 215 CG1 VAL A 15 1.876 -1.831 -3.567 1.00 0.42 C ATOM 216 CG2 VAL A 15 0.038 -3.513 -3.855 1.00 0.37 C ATOM 217 H VAL A 15 1.305 -0.419 -1.483 1.00 0.23 H ATOM 218 HA VAL A 15 -0.897 -2.283 -1.567 1.00 0.14 H ATOM 219 HB VAL A 15 -0.196 -1.413 -3.676 1.00 0.42 H ATOM 220 HG11 VAL A 15 2.532 -2.553 -3.104 1.00 1.13 H ATOM 221 HG12 VAL A 15 2.104 -0.844 -3.192 1.00 1.12 H ATOM 222 HG13 VAL A 15 2.017 -1.851 -4.637 1.00 1.12 H ATOM 223 HG21 VAL A 15 0.135 -3.457 -4.928 1.00 1.12 H ATOM 224 HG22 VAL A 15 -0.986 -3.745 -3.593 1.00 1.10 H ATOM 225 HG23 VAL A 15 0.688 -4.286 -3.474 1.00 1.09 H ATOM 226 N VAL A 16 0.101 -4.054 -0.199 1.00 0.14 N ATOM 227 CA VAL A 16 0.536 -5.303 0.390 1.00 0.18 C ATOM 228 C VAL A 16 -0.410 -6.426 -0.036 1.00 0.14 C ATOM 229 O VAL A 16 -1.613 -6.372 0.225 1.00 0.21 O ATOM 230 CB VAL A 16 0.607 -5.196 1.930 1.00 0.29 C ATOM 231 CG1 VAL A 16 -0.710 -4.693 2.499 1.00 0.51 C ATOM 232 CG2 VAL A 16 0.992 -6.531 2.553 1.00 0.55 C ATOM 233 H VAL A 16 -0.775 -3.683 0.061 1.00 0.14 H ATOM 234 HA VAL A 16 1.527 -5.519 0.016 1.00 0.24 H ATOM 235 HB VAL A 16 1.372 -4.476 2.181 1.00 0.50 H ATOM 236 HG11 VAL A 16 -0.945 -3.727 2.067 1.00 1.17 H ATOM 237 HG12 VAL A 16 -0.626 -4.597 3.571 1.00 1.17 H ATOM 238 HG13 VAL A 16 -1.495 -5.394 2.261 1.00 1.19 H ATOM 239 HG21 VAL A 16 0.248 -7.272 2.303 1.00 1.20 H ATOM 240 HG22 VAL A 16 1.047 -6.426 3.626 1.00 1.18 H ATOM 241 HG23 VAL A 16 1.953 -6.842 2.172 1.00 1.21 H ATOM 242 N LYS A 17 0.133 -7.412 -0.744 1.00 0.20 N ATOM 243 CA LYS A 17 -0.654 -8.528 -1.274 1.00 0.30 C ATOM 244 C LYS A 17 -1.746 -8.022 -2.220 1.00 0.25 C ATOM 245 O LYS A 17 -2.807 -8.636 -2.348 1.00 0.33 O ATOM 246 CB LYS A 17 -1.280 -9.348 -0.137 1.00 0.44 C ATOM 247 CG LYS A 17 -0.268 -9.886 0.864 1.00 0.92 C ATOM 248 CD LYS A 17 0.754 -10.795 0.204 1.00 1.34 C ATOM 249 CE LYS A 17 1.806 -11.253 1.199 1.00 2.04 C ATOM 250 NZ LYS A 17 2.835 -12.112 0.562 1.00 2.67 N ATOM 251 H LYS A 17 1.099 -7.390 -0.920 1.00 0.27 H ATOM 252 HA LYS A 17 0.016 -9.162 -1.832 1.00 0.40 H ATOM 253 HB2 LYS A 17 -1.982 -8.725 0.396 1.00 0.83 H ATOM 254 HB3 LYS A 17 -1.809 -10.186 -0.565 1.00 0.81 H ATOM 255 HG2 LYS A 17 0.249 -9.055 1.320 1.00 1.38 H ATOM 256 HG3 LYS A 17 -0.794 -10.444 1.626 1.00 1.42 H ATOM 257 HD2 LYS A 17 0.248 -11.661 -0.196 1.00 1.78 H ATOM 258 HD3 LYS A 17 1.238 -10.255 -0.596 1.00 1.80 H ATOM 259 HE2 LYS A 17 2.288 -10.384 1.620 1.00 2.51 H ATOM 260 HE3 LYS A 17 1.321 -11.812 1.985 1.00 2.53 H ATOM 261 HZ1 LYS A 17 2.421 -12.959 0.227 1.00 3.04 H ATOM 262 HZ2 LYS A 17 3.550 -12.341 1.221 1.00 3.03 H ATOM 263 HZ3 LYS A 17 3.255 -11.632 -0.209 1.00 3.03 H ATOM 264 N GLY A 18 -1.480 -6.895 -2.873 1.00 0.21 N ATOM 265 CA GLY A 18 -2.438 -6.323 -3.803 1.00 0.25 C ATOM 266 C GLY A 18 -3.439 -5.402 -3.128 1.00 0.26 C ATOM 267 O GLY A 18 -4.158 -4.657 -3.797 1.00 0.51 O ATOM 268 H GLY A 18 -0.616 -6.451 -2.728 1.00 0.23 H ATOM 269 HA2 GLY A 18 -1.902 -5.762 -4.554 1.00 0.29 H ATOM 270 HA3 GLY A 18 -2.974 -7.127 -4.284 1.00 0.28 H ATOM 271 N ARG A 19 -3.468 -5.428 -1.805 1.00 0.12 N ATOM 272 CA ARG A 19 -4.430 -4.645 -1.036 1.00 0.16 C ATOM 273 C ARG A 19 -3.755 -3.382 -0.525 1.00 0.12 C ATOM 274 O ARG A 19 -2.542 -3.363 -0.323 1.00 0.18 O ATOM 275 CB ARG A 19 -4.980 -5.478 0.126 1.00 0.28 C ATOM 276 CG ARG A 19 -4.281 -5.231 1.452 1.00 0.68 C ATOM 277 CD ARG A 19 -5.292 -5.046 2.565 1.00 0.94 C ATOM 278 NE ARG A 19 -6.269 -4.012 2.231 1.00 1.06 N ATOM 279 CZ ARG A 19 -7.175 -3.539 3.089 1.00 1.47 C ATOM 280 NH1 ARG A 19 -7.222 -4.005 4.332 1.00 1.66 N ATOM 281 NH2 ARG A 19 -8.034 -2.605 2.702 1.00 1.91 N ATOM 282 H ARG A 19 -2.804 -5.969 -1.328 1.00 0.20 H ATOM 283 HA ARG A 19 -5.247 -4.364 -1.680 1.00 0.22 H ATOM 284 HB2 ARG A 19 -6.028 -5.258 0.248 1.00 0.79 H ATOM 285 HB3 ARG A 19 -4.872 -6.525 -0.119 1.00 0.80 H ATOM 286 HG2 ARG A 19 -3.651 -6.076 1.684 1.00 1.15 H ATOM 287 HG3 ARG A 19 -3.677 -4.339 1.372 1.00 1.10 H ATOM 288 HD2 ARG A 19 -5.808 -5.979 2.725 1.00 1.23 H ATOM 289 HD3 ARG A 19 -4.770 -4.760 3.466 1.00 1.42 H ATOM 290 HE ARG A 19 -6.253 -3.655 1.306 1.00 1.10 H ATOM 291 HH11 ARG A 19 -6.581 -4.715 4.631 1.00 1.58 H ATOM 292 HH12 ARG A 19 -7.902 -3.648 4.979 1.00 2.02 H ATOM 293 HH21 ARG A 19 -8.005 -2.250 1.761 1.00 1.98 H ATOM 294 HH22 ARG A 19 -8.722 -2.254 3.343 1.00 2.27 H ATOM 295 N CYS A 20 -4.516 -2.318 -0.339 1.00 0.12 N ATOM 296 CA CYS A 20 -3.940 -1.081 0.147 1.00 0.13 C ATOM 297 C CYS A 20 -4.124 -0.972 1.660 1.00 0.13 C ATOM 298 O CYS A 20 -5.226 -0.781 2.164 1.00 0.22 O ATOM 299 CB CYS A 20 -4.518 0.129 -0.602 1.00 0.24 C ATOM 300 SG CYS A 20 -6.271 0.507 -0.276 1.00 1.00 S ATOM 301 H CYS A 20 -5.479 -2.365 -0.526 1.00 0.17 H ATOM 302 HA CYS A 20 -2.878 -1.129 -0.053 1.00 0.16 H ATOM 303 HB2 CYS A 20 -3.947 1.001 -0.348 1.00 0.96 H ATOM 304 HB3 CYS A 20 -4.419 -0.049 -1.661 1.00 0.83 H ATOM 305 N ARG A 21 -3.020 -1.129 2.372 1.00 0.11 N ATOM 306 CA ARG A 21 -3.024 -1.166 3.827 1.00 0.15 C ATOM 307 C ARG A 21 -2.618 0.185 4.390 1.00 0.11 C ATOM 308 O ARG A 21 -1.801 0.875 3.794 1.00 0.15 O ATOM 309 CB ARG A 21 -2.038 -2.233 4.304 1.00 0.25 C ATOM 310 CG ARG A 21 -1.897 -2.323 5.818 1.00 0.75 C ATOM 311 CD ARG A 21 -0.593 -2.991 6.216 1.00 0.82 C ATOM 312 NE ARG A 21 0.560 -2.111 6.004 1.00 0.79 N ATOM 313 CZ ARG A 21 1.719 -2.501 5.467 1.00 1.18 C ATOM 314 NH1 ARG A 21 1.878 -3.746 5.035 1.00 1.84 N ATOM 315 NH2 ARG A 21 2.722 -1.643 5.364 1.00 1.28 N ATOM 316 H ARG A 21 -2.161 -1.212 1.899 1.00 0.13 H ATOM 317 HA ARG A 21 -4.017 -1.416 4.162 1.00 0.22 H ATOM 318 HB2 ARG A 21 -2.372 -3.195 3.943 1.00 0.70 H ATOM 319 HB3 ARG A 21 -1.065 -2.023 3.880 1.00 0.73 H ATOM 320 HG2 ARG A 21 -1.921 -1.326 6.231 1.00 1.35 H ATOM 321 HG3 ARG A 21 -2.721 -2.899 6.213 1.00 1.24 H ATOM 322 HD2 ARG A 21 -0.644 -3.254 7.263 1.00 1.08 H ATOM 323 HD3 ARG A 21 -0.465 -3.885 5.626 1.00 1.18 H ATOM 324 HE ARG A 21 0.470 -1.176 6.300 1.00 0.97 H ATOM 325 HH11 ARG A 21 1.130 -4.409 5.113 1.00 1.95 H ATOM 326 HH12 ARG A 21 2.751 -4.028 4.622 1.00 2.35 H ATOM 327 HH21 ARG A 21 2.616 -0.700 5.688 1.00 1.21 H ATOM 328 HH22 ARG A 21 3.598 -1.934 4.969 1.00 1.69 H ATOM 329 N ILE A 22 -3.191 0.548 5.534 1.00 0.14 N ATOM 330 CA ILE A 22 -2.863 1.801 6.208 1.00 0.16 C ATOM 331 C ILE A 22 -1.365 1.907 6.463 1.00 0.17 C ATOM 332 O ILE A 22 -0.825 1.199 7.318 1.00 0.31 O ATOM 333 CB ILE A 22 -3.578 1.921 7.568 1.00 0.28 C ATOM 334 CG1 ILE A 22 -5.097 1.784 7.410 1.00 0.39 C ATOM 335 CG2 ILE A 22 -3.230 3.246 8.235 1.00 0.33 C ATOM 336 CD1 ILE A 22 -5.745 2.925 6.654 1.00 1.22 C ATOM 337 H ILE A 22 -3.857 -0.049 5.941 1.00 0.20 H ATOM 338 HA ILE A 22 -3.178 2.619 5.577 1.00 0.18 H ATOM 339 HB ILE A 22 -3.212 1.126 8.199 1.00 0.32 H ATOM 340 HG12 ILE A 22 -5.315 0.873 6.878 1.00 1.13 H ATOM 341 HG13 ILE A 22 -5.548 1.737 8.392 1.00 1.18 H ATOM 342 HG21 ILE A 22 -2.163 3.303 8.387 1.00 1.07 H ATOM 343 HG22 ILE A 22 -3.733 3.312 9.188 1.00 1.08 H ATOM 344 HG23 ILE A 22 -3.548 4.061 7.603 1.00 1.08 H ATOM 345 HD11 ILE A 22 -5.542 3.856 7.162 1.00 1.81 H ATOM 346 HD12 ILE A 22 -6.811 2.765 6.608 1.00 1.85 H ATOM 347 HD13 ILE A 22 -5.343 2.967 5.653 1.00 1.82 H ATOM 348 N ALA A 23 -0.706 2.785 5.722 1.00 0.17 N ATOM 349 CA ALA A 23 0.719 3.002 5.868 1.00 0.23 C ATOM 350 C ALA A 23 1.157 4.200 5.036 1.00 0.40 C ATOM 351 O ALA A 23 0.830 4.245 3.834 1.00 0.64 O ATOM 352 CB ALA A 23 1.493 1.753 5.480 1.00 0.35 C ATOM 353 OXT ALA A 23 1.830 5.094 5.588 1.00 1.33 O ATOM 354 H ALA A 23 -1.195 3.302 5.044 1.00 0.25 H ATOM 355 HA ALA A 23 0.917 3.211 6.910 1.00 0.28 H ATOM 356 HB1 ALA A 23 2.544 1.902 5.678 1.00 1.12 H ATOM 357 HB2 ALA A 23 1.347 1.552 4.431 1.00 1.08 H ATOM 358 HB3 ALA A 23 1.129 0.916 6.060 1.00 1.09 H TER 359 ALA A 23 ENDMDL MODEL 14 ATOM 1 N THR A 1 14.997 4.838 6.548 1.00 4.74 N ATOM 2 CA THR A 1 14.042 5.211 5.487 1.00 4.28 C ATOM 3 C THR A 1 13.670 4.005 4.630 1.00 3.85 C ATOM 4 O THR A 1 14.300 3.734 3.605 1.00 4.08 O ATOM 5 CB THR A 1 14.628 6.320 4.593 1.00 4.65 C ATOM 6 OG1 THR A 1 16.049 6.149 4.472 1.00 5.17 O ATOM 7 CG2 THR A 1 14.321 7.696 5.162 1.00 4.88 C ATOM 8 H1 THR A 1 15.201 5.632 7.122 1.00 4.93 H ATOM 9 H2 THR A 1 15.848 4.508 6.143 1.00 4.98 H ATOM 10 H3 THR A 1 14.610 4.116 7.120 1.00 5.05 H ATOM 11 HA THR A 1 13.147 5.594 5.955 1.00 4.46 H ATOM 12 HB THR A 1 14.180 6.244 3.612 1.00 4.91 H ATOM 13 HG1 THR A 1 16.264 5.877 3.569 1.00 5.46 H ATOM 14 HG21 THR A 1 14.724 8.454 4.508 1.00 5.08 H ATOM 15 HG22 THR A 1 14.768 7.789 6.140 1.00 5.10 H ATOM 16 HG23 THR A 1 13.250 7.822 5.243 1.00 5.13 H ATOM 17 N ILE A 2 12.654 3.268 5.066 1.00 3.53 N ATOM 18 CA ILE A 2 12.171 2.116 4.317 1.00 3.22 C ATOM 19 C ILE A 2 11.367 2.565 3.100 1.00 2.69 C ATOM 20 O ILE A 2 10.755 3.636 3.108 1.00 2.69 O ATOM 21 CB ILE A 2 11.306 1.159 5.180 1.00 3.57 C ATOM 22 CG1 ILE A 2 9.945 1.779 5.552 1.00 3.97 C ATOM 23 CG2 ILE A 2 12.067 0.750 6.431 1.00 3.95 C ATOM 24 CD1 ILE A 2 10.011 2.898 6.570 1.00 4.45 C ATOM 25 H ILE A 2 12.224 3.504 5.917 1.00 3.73 H ATOM 26 HA ILE A 2 13.035 1.565 3.971 1.00 3.33 H ATOM 27 HB ILE A 2 11.132 0.265 4.601 1.00 3.84 H ATOM 28 HG12 ILE A 2 9.489 2.179 4.660 1.00 4.24 H ATOM 29 HG13 ILE A 2 9.308 1.004 5.954 1.00 4.21 H ATOM 30 HG21 ILE A 2 12.320 1.630 7.004 1.00 4.15 H ATOM 31 HG22 ILE A 2 12.972 0.233 6.150 1.00 4.32 H ATOM 32 HG23 ILE A 2 11.451 0.096 7.030 1.00 4.23 H ATOM 33 HD11 ILE A 2 10.514 2.547 7.459 1.00 4.75 H ATOM 34 HD12 ILE A 2 9.011 3.213 6.822 1.00 4.72 H ATOM 35 HD13 ILE A 2 10.556 3.731 6.153 1.00 4.70 H ATOM 36 N ILE A 3 11.384 1.756 2.055 1.00 2.42 N ATOM 37 CA ILE A 3 10.694 2.095 0.823 1.00 1.99 C ATOM 38 C ILE A 3 9.283 1.524 0.829 1.00 1.72 C ATOM 39 O ILE A 3 9.092 0.306 0.898 1.00 1.80 O ATOM 40 CB ILE A 3 11.456 1.569 -0.411 1.00 2.08 C ATOM 41 CG1 ILE A 3 12.904 2.072 -0.396 1.00 2.47 C ATOM 42 CG2 ILE A 3 10.753 1.999 -1.693 1.00 1.90 C ATOM 43 CD1 ILE A 3 13.752 1.524 -1.525 1.00 2.90 C ATOM 44 H ILE A 3 11.861 0.901 2.117 1.00 2.62 H ATOM 45 HA ILE A 3 10.637 3.172 0.756 1.00 2.04 H ATOM 46 HB ILE A 3 11.451 0.492 -0.372 1.00 2.20 H ATOM 47 HG12 ILE A 3 12.905 3.148 -0.476 1.00 2.70 H ATOM 48 HG13 ILE A 3 13.367 1.785 0.537 1.00 2.77 H ATOM 49 HG21 ILE A 3 9.750 1.599 -1.705 1.00 2.14 H ATOM 50 HG22 ILE A 3 11.300 1.626 -2.545 1.00 2.12 H ATOM 51 HG23 ILE A 3 10.713 3.077 -1.736 1.00 2.18 H ATOM 52 HD11 ILE A 3 14.746 1.940 -1.462 1.00 3.27 H ATOM 53 HD12 ILE A 3 13.307 1.792 -2.472 1.00 3.27 H ATOM 54 HD13 ILE A 3 13.807 0.449 -1.445 1.00 3.15 H ATOM 55 N ASN A 4 8.300 2.405 0.760 1.00 1.59 N ATOM 56 CA ASN A 4 6.907 1.996 0.762 1.00 1.47 C ATOM 57 C ASN A 4 6.418 1.846 -0.666 1.00 1.08 C ATOM 58 O ASN A 4 6.818 2.601 -1.553 1.00 1.14 O ATOM 59 CB ASN A 4 6.021 2.996 1.526 1.00 1.84 C ATOM 60 CG ASN A 4 5.924 4.363 0.861 1.00 1.94 C ATOM 61 OD1 ASN A 4 6.881 4.854 0.261 1.00 2.63 O ATOM 62 ND2 ASN A 4 4.759 4.988 0.967 1.00 2.01 N ATOM 63 H ASN A 4 8.516 3.352 0.675 1.00 1.72 H ATOM 64 HA ASN A 4 6.849 1.033 1.248 1.00 1.58 H ATOM 65 HB2 ASN A 4 5.024 2.590 1.604 1.00 2.23 H ATOM 66 HB3 ASN A 4 6.425 3.130 2.519 1.00 2.18 H ATOM 67 HD21 ASN A 4 4.035 4.544 1.460 1.00 2.26 H ATOM 68 HD22 ASN A 4 4.663 5.867 0.540 1.00 2.28 H ATOM 69 N ALA A 5 5.582 0.858 -0.892 1.00 0.89 N ATOM 70 CA ALA A 5 5.062 0.608 -2.218 1.00 0.65 C ATOM 71 C ALA A 5 3.650 1.167 -2.350 1.00 0.56 C ATOM 72 O ALA A 5 2.742 0.749 -1.633 1.00 0.60 O ATOM 73 CB ALA A 5 5.093 -0.880 -2.509 1.00 0.80 C ATOM 74 H ALA A 5 5.301 0.283 -0.149 1.00 1.05 H ATOM 75 HA ALA A 5 5.707 1.106 -2.928 1.00 0.71 H ATOM 76 HB1 ALA A 5 6.103 -1.247 -2.388 1.00 1.35 H ATOM 77 HB2 ALA A 5 4.765 -1.056 -3.522 1.00 1.32 H ATOM 78 HB3 ALA A 5 4.438 -1.394 -1.823 1.00 1.34 H ATOM 79 N PRO A 6 3.454 2.124 -3.266 1.00 0.64 N ATOM 80 CA PRO A 6 2.156 2.769 -3.472 1.00 0.70 C ATOM 81 C PRO A 6 1.163 1.888 -4.230 1.00 0.57 C ATOM 82 O PRO A 6 1.508 1.255 -5.228 1.00 0.65 O ATOM 83 CB PRO A 6 2.509 4.009 -4.293 1.00 0.95 C ATOM 84 CG PRO A 6 3.752 3.647 -5.029 1.00 1.21 C ATOM 85 CD PRO A 6 4.494 2.668 -4.161 1.00 0.87 C ATOM 86 HA PRO A 6 1.715 3.073 -2.534 1.00 0.78 H ATOM 87 HB2 PRO A 6 1.700 4.236 -4.973 1.00 1.00 H ATOM 88 HB3 PRO A 6 2.674 4.846 -3.631 1.00 1.12 H ATOM 89 HG2 PRO A 6 3.500 3.191 -5.974 1.00 1.50 H ATOM 90 HG3 PRO A 6 4.352 4.531 -5.189 1.00 1.58 H ATOM 91 HD2 PRO A 6 4.928 1.885 -4.765 1.00 0.93 H ATOM 92 HD3 PRO A 6 5.260 3.175 -3.594 1.00 0.93 H ATOM 93 N ASN A 7 -0.071 1.856 -3.746 1.00 0.50 N ATOM 94 CA ASN A 7 -1.133 1.099 -4.399 1.00 0.42 C ATOM 95 C ASN A 7 -1.993 2.059 -5.219 1.00 0.48 C ATOM 96 O ASN A 7 -1.621 3.223 -5.396 1.00 0.56 O ATOM 97 CB ASN A 7 -1.995 0.380 -3.342 1.00 0.30 C ATOM 98 CG ASN A 7 -2.723 -0.848 -3.877 1.00 0.38 C ATOM 99 OD1 ASN A 7 -3.043 -0.940 -5.059 1.00 0.74 O ATOM 100 ND2 ASN A 7 -2.996 -1.799 -3.000 1.00 0.19 N ATOM 101 H ASN A 7 -0.277 2.366 -2.935 1.00 0.58 H ATOM 102 HA ASN A 7 -0.681 0.371 -5.055 1.00 0.49 H ATOM 103 HB2 ASN A 7 -1.362 0.066 -2.526 1.00 0.29 H ATOM 104 HB3 ASN A 7 -2.733 1.073 -2.965 1.00 0.33 H ATOM 105 HD21 ASN A 7 -2.719 -1.668 -2.067 1.00 0.27 H ATOM 106 HD22 ASN A 7 -3.474 -2.600 -3.317 1.00 0.26 H ATOM 107 N ARG A 8 -3.125 1.584 -5.723 1.00 0.51 N ATOM 108 CA ARG A 8 -4.104 2.458 -6.360 1.00 0.62 C ATOM 109 C ARG A 8 -4.592 3.471 -5.334 1.00 0.51 C ATOM 110 O ARG A 8 -4.866 4.630 -5.650 1.00 0.57 O ATOM 111 CB ARG A 8 -5.281 1.644 -6.895 1.00 0.75 C ATOM 112 CG ARG A 8 -4.873 0.560 -7.876 1.00 1.16 C ATOM 113 CD ARG A 8 -6.066 -0.264 -8.330 1.00 1.75 C ATOM 114 NE ARG A 8 -6.766 -0.875 -7.202 1.00 2.48 N ATOM 115 CZ ARG A 8 -6.921 -2.187 -7.032 1.00 3.42 C ATOM 116 NH1 ARG A 8 -6.402 -3.045 -7.902 1.00 3.83 N ATOM 117 NH2 ARG A 8 -7.591 -2.641 -5.982 1.00 4.36 N ATOM 118 H ARG A 8 -3.304 0.617 -5.671 1.00 0.50 H ATOM 119 HA ARG A 8 -3.620 2.978 -7.174 1.00 0.73 H ATOM 120 HB2 ARG A 8 -5.789 1.177 -6.064 1.00 0.92 H ATOM 121 HB3 ARG A 8 -5.967 2.311 -7.395 1.00 1.07 H ATOM 122 HG2 ARG A 8 -4.421 1.024 -8.739 1.00 1.64 H ATOM 123 HG3 ARG A 8 -4.156 -0.092 -7.399 1.00 1.67 H ATOM 124 HD2 ARG A 8 -6.752 0.380 -8.859 1.00 2.27 H ATOM 125 HD3 ARG A 8 -5.719 -1.042 -8.993 1.00 2.17 H ATOM 126 HE ARG A 8 -7.155 -0.267 -6.533 1.00 2.70 H ATOM 127 HH11 ARG A 8 -5.887 -2.715 -8.692 1.00 3.58 H ATOM 128 HH12 ARG A 8 -6.516 -4.034 -7.763 1.00 4.66 H ATOM 129 HH21 ARG A 8 -7.980 -1.998 -5.313 1.00 4.53 H ATOM 130 HH22 ARG A 8 -7.713 -3.626 -5.849 1.00 5.09 H ATOM 131 N CYS A 9 -4.687 3.000 -4.101 1.00 0.38 N ATOM 132 CA CYS A 9 -4.967 3.849 -2.958 1.00 0.29 C ATOM 133 C CYS A 9 -3.753 4.740 -2.686 1.00 0.22 C ATOM 134 O CYS A 9 -2.638 4.242 -2.531 1.00 0.30 O ATOM 135 CB CYS A 9 -5.268 2.960 -1.748 1.00 0.31 C ATOM 136 SG CYS A 9 -6.510 1.670 -2.084 1.00 0.45 S ATOM 137 H CYS A 9 -4.567 2.040 -3.955 1.00 0.38 H ATOM 138 HA CYS A 9 -5.825 4.460 -3.183 1.00 0.32 H ATOM 139 HB2 CYS A 9 -4.358 2.466 -1.442 1.00 0.28 H ATOM 140 HB3 CYS A 9 -5.634 3.563 -0.933 1.00 0.31 H ATOM 141 N PRO A 10 -3.954 6.069 -2.655 1.00 0.21 N ATOM 142 CA PRO A 10 -2.865 7.048 -2.476 1.00 0.27 C ATOM 143 C PRO A 10 -2.190 6.937 -1.105 1.00 0.19 C ATOM 144 O PRO A 10 -2.637 6.152 -0.263 1.00 0.15 O ATOM 145 CB PRO A 10 -3.579 8.399 -2.617 1.00 0.39 C ATOM 146 CG PRO A 10 -4.996 8.113 -2.273 1.00 0.38 C ATOM 147 CD PRO A 10 -5.261 6.731 -2.789 1.00 0.28 C ATOM 148 HA PRO A 10 -2.119 6.953 -3.250 1.00 0.37 H ATOM 149 HB2 PRO A 10 -3.143 9.112 -1.933 1.00 0.46 H ATOM 150 HB3 PRO A 10 -3.484 8.758 -3.630 1.00 0.49 H ATOM 151 HG2 PRO A 10 -5.127 8.145 -1.200 1.00 0.41 H ATOM 152 HG3 PRO A 10 -5.645 8.827 -2.756 1.00 0.47 H ATOM 153 HD2 PRO A 10 -6.008 6.237 -2.187 1.00 0.33 H ATOM 154 HD3 PRO A 10 -5.569 6.766 -3.823 1.00 0.32 H ATOM 155 N PRO A 11 -1.097 7.704 -0.872 1.00 0.22 N ATOM 156 CA PRO A 11 -0.413 7.760 0.426 1.00 0.21 C ATOM 157 C PRO A 11 -1.391 7.734 1.594 1.00 0.17 C ATOM 158 O PRO A 11 -2.389 8.459 1.609 1.00 0.24 O ATOM 159 CB PRO A 11 0.329 9.088 0.358 1.00 0.29 C ATOM 160 CG PRO A 11 0.678 9.238 -1.083 1.00 0.35 C ATOM 161 CD PRO A 11 -0.427 8.569 -1.865 1.00 0.33 C ATOM 162 HA PRO A 11 0.297 6.951 0.532 1.00 0.25 H ATOM 163 HB2 PRO A 11 -0.318 9.884 0.697 1.00 0.31 H ATOM 164 HB3 PRO A 11 1.213 9.044 0.974 1.00 0.35 H ATOM 165 HG2 PRO A 11 0.734 10.285 -1.340 1.00 0.42 H ATOM 166 HG3 PRO A 11 1.622 8.753 -1.282 1.00 0.45 H ATOM 167 HD2 PRO A 11 -1.112 9.306 -2.253 1.00 0.40 H ATOM 168 HD3 PRO A 11 -0.015 7.980 -2.669 1.00 0.44 H ATOM 169 N GLY A 12 -1.101 6.894 2.568 1.00 0.16 N ATOM 170 CA GLY A 12 -2.077 6.573 3.576 1.00 0.17 C ATOM 171 C GLY A 12 -2.395 5.103 3.522 1.00 0.11 C ATOM 172 O GLY A 12 -2.774 4.495 4.523 1.00 0.14 O ATOM 173 H GLY A 12 -0.205 6.489 2.614 1.00 0.21 H ATOM 174 HA2 GLY A 12 -1.681 6.821 4.548 1.00 0.23 H ATOM 175 HA3 GLY A 12 -2.979 7.138 3.397 1.00 0.20 H ATOM 176 N HIS A 13 -2.237 4.533 2.331 1.00 0.12 N ATOM 177 CA HIS A 13 -2.344 3.097 2.142 1.00 0.13 C ATOM 178 C HIS A 13 -1.328 2.620 1.109 1.00 0.18 C ATOM 179 O HIS A 13 -1.193 3.204 0.036 1.00 0.36 O ATOM 180 CB HIS A 13 -3.745 2.677 1.704 1.00 0.20 C ATOM 181 CG HIS A 13 -4.837 3.020 2.674 1.00 0.28 C ATOM 182 ND1 HIS A 13 -5.648 4.126 2.544 1.00 0.44 N ATOM 183 CD2 HIS A 13 -5.255 2.380 3.789 1.00 0.41 C ATOM 184 CE1 HIS A 13 -6.516 4.152 3.538 1.00 0.49 C ATOM 185 NE2 HIS A 13 -6.299 3.104 4.308 1.00 0.47 N ATOM 186 H HIS A 13 -2.037 5.101 1.552 1.00 0.16 H ATOM 187 HA HIS A 13 -2.117 2.626 3.088 1.00 0.13 H ATOM 188 HB2 HIS A 13 -3.974 3.146 0.764 1.00 0.25 H ATOM 189 HB3 HIS A 13 -3.751 1.604 1.571 1.00 0.22 H ATOM 190 HD1 HIS A 13 -5.591 4.802 1.834 1.00 0.58 H ATOM 191 HD2 HIS A 13 -4.843 1.468 4.197 1.00 0.56 H ATOM 192 HE1 HIS A 13 -7.277 4.902 3.694 1.00 0.63 H ATOM 193 HE2 HIS A 13 -6.903 2.796 5.020 1.00 0.61 H ATOM 194 N VAL A 14 -0.628 1.553 1.449 1.00 0.11 N ATOM 195 CA VAL A 14 0.394 0.973 0.584 1.00 0.13 C ATOM 196 C VAL A 14 -0.092 -0.353 0.013 1.00 0.11 C ATOM 197 O VAL A 14 -1.063 -0.920 0.502 1.00 0.15 O ATOM 198 CB VAL A 14 1.710 0.737 1.358 1.00 0.19 C ATOM 199 CG1 VAL A 14 2.228 2.034 1.954 1.00 0.26 C ATOM 200 CG2 VAL A 14 1.517 -0.308 2.449 1.00 0.23 C ATOM 201 H VAL A 14 -0.810 1.132 2.316 1.00 0.16 H ATOM 202 HA VAL A 14 0.583 1.658 -0.228 1.00 0.16 H ATOM 203 HB VAL A 14 2.450 0.366 0.664 1.00 0.23 H ATOM 204 HG11 VAL A 14 2.428 2.740 1.164 1.00 1.02 H ATOM 205 HG12 VAL A 14 3.136 1.839 2.505 1.00 1.05 H ATOM 206 HG13 VAL A 14 1.483 2.443 2.624 1.00 1.07 H ATOM 207 HG21 VAL A 14 0.750 0.023 3.132 1.00 1.05 H ATOM 208 HG22 VAL A 14 2.443 -0.441 2.986 1.00 1.05 H ATOM 209 HG23 VAL A 14 1.220 -1.246 2.003 1.00 1.04 H ATOM 210 N VAL A 15 0.574 -0.851 -1.017 1.00 0.16 N ATOM 211 CA VAL A 15 0.171 -2.106 -1.624 1.00 0.17 C ATOM 212 C VAL A 15 0.810 -3.303 -0.922 1.00 0.18 C ATOM 213 O VAL A 15 2.030 -3.489 -0.934 1.00 0.28 O ATOM 214 CB VAL A 15 0.471 -2.149 -3.143 1.00 0.24 C ATOM 215 CG1 VAL A 15 1.944 -1.922 -3.437 1.00 0.42 C ATOM 216 CG2 VAL A 15 -0.002 -3.466 -3.744 1.00 0.37 C ATOM 217 H VAL A 15 1.353 -0.365 -1.375 1.00 0.23 H ATOM 218 HA VAL A 15 -0.900 -2.184 -1.503 1.00 0.14 H ATOM 219 HB VAL A 15 -0.083 -1.351 -3.612 1.00 0.42 H ATOM 220 HG11 VAL A 15 2.238 -0.949 -3.072 1.00 1.13 H ATOM 221 HG12 VAL A 15 2.111 -1.973 -4.502 1.00 1.12 H ATOM 222 HG13 VAL A 15 2.532 -2.683 -2.944 1.00 1.12 H ATOM 223 HG21 VAL A 15 0.148 -3.450 -4.813 1.00 1.12 H ATOM 224 HG22 VAL A 15 -1.052 -3.606 -3.527 1.00 1.10 H ATOM 225 HG23 VAL A 15 0.564 -4.280 -3.314 1.00 1.09 H ATOM 226 N VAL A 16 -0.035 -4.087 -0.277 1.00 0.14 N ATOM 227 CA VAL A 16 0.371 -5.337 0.328 1.00 0.18 C ATOM 228 C VAL A 16 -0.436 -6.483 -0.281 1.00 0.14 C ATOM 229 O VAL A 16 -1.628 -6.643 -0.006 1.00 0.21 O ATOM 230 CB VAL A 16 0.203 -5.301 1.866 1.00 0.29 C ATOM 231 CG1 VAL A 16 -1.213 -4.909 2.266 1.00 0.51 C ATOM 232 CG2 VAL A 16 0.588 -6.638 2.479 1.00 0.55 C ATOM 233 H VAL A 16 -0.975 -3.808 -0.197 1.00 0.14 H ATOM 234 HA VAL A 16 1.417 -5.488 0.103 1.00 0.24 H ATOM 235 HB VAL A 16 0.874 -4.550 2.254 1.00 0.50 H ATOM 236 HG11 VAL A 16 -1.314 -4.970 3.338 1.00 1.17 H ATOM 237 HG12 VAL A 16 -1.918 -5.580 1.799 1.00 1.17 H ATOM 238 HG13 VAL A 16 -1.411 -3.897 1.943 1.00 1.19 H ATOM 239 HG21 VAL A 16 0.425 -6.605 3.546 1.00 1.20 H ATOM 240 HG22 VAL A 16 1.630 -6.838 2.281 1.00 1.18 H ATOM 241 HG23 VAL A 16 -0.018 -7.421 2.048 1.00 1.21 H ATOM 242 N LYS A 17 0.214 -7.243 -1.157 1.00 0.20 N ATOM 243 CA LYS A 17 -0.427 -8.346 -1.872 1.00 0.30 C ATOM 244 C LYS A 17 -1.607 -7.844 -2.707 1.00 0.25 C ATOM 245 O LYS A 17 -2.571 -8.574 -2.943 1.00 0.33 O ATOM 246 CB LYS A 17 -0.895 -9.445 -0.907 1.00 0.44 C ATOM 247 CG LYS A 17 0.216 -10.040 -0.055 1.00 0.92 C ATOM 248 CD LYS A 17 -0.206 -11.361 0.578 1.00 1.34 C ATOM 249 CE LYS A 17 -1.378 -11.199 1.540 1.00 2.04 C ATOM 250 NZ LYS A 17 -1.003 -10.436 2.760 1.00 2.67 N ATOM 251 H LYS A 17 1.162 -7.052 -1.336 1.00 0.27 H ATOM 252 HA LYS A 17 0.308 -8.765 -2.542 1.00 0.40 H ATOM 253 HB2 LYS A 17 -1.639 -9.029 -0.245 1.00 0.83 H ATOM 254 HB3 LYS A 17 -1.346 -10.242 -1.480 1.00 0.81 H ATOM 255 HG2 LYS A 17 1.080 -10.211 -0.678 1.00 1.38 H ATOM 256 HG3 LYS A 17 0.468 -9.341 0.728 1.00 1.42 H ATOM 257 HD2 LYS A 17 -0.493 -12.045 -0.204 1.00 1.78 H ATOM 258 HD3 LYS A 17 0.636 -11.771 1.119 1.00 1.80 H ATOM 259 HE2 LYS A 17 -2.173 -10.677 1.032 1.00 2.51 H ATOM 260 HE3 LYS A 17 -1.724 -12.179 1.832 1.00 2.53 H ATOM 261 HZ1 LYS A 17 -0.253 -10.897 3.237 1.00 3.04 H ATOM 262 HZ2 LYS A 17 -1.783 -10.370 3.383 1.00 3.03 H ATOM 263 HZ3 LYS A 17 -0.710 -9.513 2.518 1.00 3.03 H ATOM 264 N GLY A 18 -1.525 -6.592 -3.145 1.00 0.21 N ATOM 265 CA GLY A 18 -2.572 -6.019 -3.973 1.00 0.25 C ATOM 266 C GLY A 18 -3.527 -5.128 -3.196 1.00 0.26 C ATOM 267 O GLY A 18 -4.196 -4.274 -3.779 1.00 0.51 O ATOM 268 H GLY A 18 -0.742 -6.054 -2.907 1.00 0.23 H ATOM 269 HA2 GLY A 18 -2.113 -5.435 -4.756 1.00 0.29 H ATOM 270 HA3 GLY A 18 -3.135 -6.823 -4.424 1.00 0.28 H ATOM 271 N ARG A 19 -3.573 -5.302 -1.883 1.00 0.12 N ATOM 272 CA ARG A 19 -4.502 -4.559 -1.040 1.00 0.16 C ATOM 273 C ARG A 19 -3.822 -3.334 -0.439 1.00 0.12 C ATOM 274 O ARG A 19 -2.603 -3.308 -0.293 1.00 0.18 O ATOM 275 CB ARG A 19 -5.057 -5.482 0.048 1.00 0.28 C ATOM 276 CG ARG A 19 -5.126 -4.860 1.431 1.00 0.68 C ATOM 277 CD ARG A 19 -6.407 -5.239 2.147 1.00 0.94 C ATOM 278 NE ARG A 19 -7.588 -4.740 1.443 1.00 1.06 N ATOM 279 CZ ARG A 19 -8.791 -4.618 2.002 1.00 1.47 C ATOM 280 NH1 ARG A 19 -8.973 -4.948 3.276 1.00 1.66 N ATOM 281 NH2 ARG A 19 -9.812 -4.155 1.290 1.00 1.91 N ATOM 282 H ARG A 19 -2.955 -5.936 -1.462 1.00 0.20 H ATOM 283 HA ARG A 19 -5.319 -4.226 -1.661 1.00 0.22 H ATOM 284 HB2 ARG A 19 -6.053 -5.773 -0.234 1.00 0.79 H ATOM 285 HB3 ARG A 19 -4.437 -6.365 0.105 1.00 0.80 H ATOM 286 HG2 ARG A 19 -4.283 -5.206 2.010 1.00 1.15 H ATOM 287 HG3 ARG A 19 -5.080 -3.785 1.334 1.00 1.10 H ATOM 288 HD2 ARG A 19 -6.465 -6.315 2.210 1.00 1.23 H ATOM 289 HD3 ARG A 19 -6.388 -4.819 3.142 1.00 1.42 H ATOM 290 HE ARG A 19 -7.473 -4.476 0.497 1.00 1.10 H ATOM 291 HH11 ARG A 19 -8.205 -5.287 3.823 1.00 1.58 H ATOM 292 HH12 ARG A 19 -9.879 -4.860 3.696 1.00 2.02 H ATOM 293 HH21 ARG A 19 -9.682 -3.894 0.329 1.00 1.98 H ATOM 294 HH22 ARG A 19 -10.717 -4.057 1.711 1.00 2.27 H ATOM 295 N CYS A 20 -4.601 -2.309 -0.115 1.00 0.12 N ATOM 296 CA CYS A 20 -4.037 -1.076 0.405 1.00 0.13 C ATOM 297 C CYS A 20 -4.001 -1.089 1.936 1.00 0.13 C ATOM 298 O CYS A 20 -5.023 -0.929 2.603 1.00 0.22 O ATOM 299 CB CYS A 20 -4.821 0.131 -0.105 1.00 0.24 C ATOM 300 SG CYS A 20 -5.497 -0.062 -1.785 1.00 1.00 S ATOM 301 H CYS A 20 -5.575 -2.385 -0.226 1.00 0.17 H ATOM 302 HA CYS A 20 -3.022 -1.009 0.042 1.00 0.16 H ATOM 303 HB2 CYS A 20 -5.639 0.340 0.562 1.00 0.96 H ATOM 304 HB3 CYS A 20 -4.160 0.983 -0.125 1.00 0.83 H ATOM 305 N ARG A 21 -2.801 -1.266 2.467 1.00 0.11 N ATOM 306 CA ARG A 21 -2.558 -1.319 3.908 1.00 0.15 C ATOM 307 C ARG A 21 -2.400 0.086 4.465 1.00 0.11 C ATOM 308 O ARG A 21 -1.806 0.940 3.822 1.00 0.15 O ATOM 309 CB ARG A 21 -1.291 -2.139 4.188 1.00 0.25 C ATOM 310 CG ARG A 21 -0.585 -1.781 5.488 1.00 0.75 C ATOM 311 CD ARG A 21 0.685 -2.590 5.678 1.00 0.82 C ATOM 312 NE ARG A 21 1.531 -2.036 6.735 1.00 0.79 N ATOM 313 CZ ARG A 21 2.302 -2.770 7.538 1.00 1.18 C ATOM 314 NH1 ARG A 21 2.321 -4.091 7.420 1.00 1.84 N ATOM 315 NH2 ARG A 21 3.057 -2.179 8.456 1.00 1.28 N ATOM 316 H ARG A 21 -2.036 -1.340 1.859 1.00 0.13 H ATOM 317 HA ARG A 21 -3.405 -1.796 4.378 1.00 0.22 H ATOM 318 HB2 ARG A 21 -1.559 -3.183 4.231 1.00 0.70 H ATOM 319 HB3 ARG A 21 -0.596 -1.989 3.374 1.00 0.73 H ATOM 320 HG2 ARG A 21 -0.331 -0.731 5.471 1.00 1.35 H ATOM 321 HG3 ARG A 21 -1.252 -1.977 6.314 1.00 1.24 H ATOM 322 HD2 ARG A 21 0.416 -3.603 5.938 1.00 1.08 H ATOM 323 HD3 ARG A 21 1.239 -2.592 4.750 1.00 1.18 H ATOM 324 HE ARG A 21 1.534 -1.056 6.839 1.00 0.97 H ATOM 325 HH11 ARG A 21 1.752 -4.544 6.729 1.00 1.95 H ATOM 326 HH12 ARG A 21 2.914 -4.644 8.008 1.00 2.35 H ATOM 327 HH21 ARG A 21 3.050 -1.180 8.549 1.00 1.21 H ATOM 328 HH22 ARG A 21 3.640 -2.726 9.064 1.00 1.69 H ATOM 329 N ILE A 22 -2.914 0.313 5.666 1.00 0.14 N ATOM 330 CA ILE A 22 -2.864 1.631 6.283 1.00 0.16 C ATOM 331 C ILE A 22 -1.427 2.014 6.621 1.00 0.17 C ATOM 332 O ILE A 22 -0.857 1.511 7.592 1.00 0.31 O ATOM 333 CB ILE A 22 -3.707 1.706 7.578 1.00 0.28 C ATOM 334 CG1 ILE A 22 -5.184 1.367 7.320 1.00 0.39 C ATOM 335 CG2 ILE A 22 -3.599 3.094 8.194 1.00 0.33 C ATOM 336 CD1 ILE A 22 -5.480 -0.114 7.183 1.00 1.22 C ATOM 337 H ILE A 22 -3.321 -0.431 6.159 1.00 0.20 H ATOM 338 HA ILE A 22 -3.260 2.346 5.576 1.00 0.18 H ATOM 339 HB ILE A 22 -3.294 0.997 8.279 1.00 0.32 H ATOM 340 HG12 ILE A 22 -5.776 1.743 8.139 1.00 1.13 H ATOM 341 HG13 ILE A 22 -5.498 1.852 6.407 1.00 1.18 H ATOM 342 HG21 ILE A 22 -2.570 3.297 8.448 1.00 1.07 H ATOM 343 HG22 ILE A 22 -4.205 3.139 9.085 1.00 1.08 H ATOM 344 HG23 ILE A 22 -3.947 3.831 7.485 1.00 1.08 H ATOM 345 HD11 ILE A 22 -6.545 -0.257 7.080 1.00 1.81 H ATOM 346 HD12 ILE A 22 -5.128 -0.634 8.060 1.00 1.85 H ATOM 347 HD13 ILE A 22 -4.980 -0.502 6.309 1.00 1.82 H ATOM 348 N ALA A 23 -0.851 2.894 5.813 1.00 0.17 N ATOM 349 CA ALA A 23 0.504 3.369 6.027 1.00 0.23 C ATOM 350 C ALA A 23 0.826 4.497 5.054 1.00 0.40 C ATOM 351 O ALA A 23 0.313 5.616 5.255 1.00 0.64 O ATOM 352 CB ALA A 23 1.490 2.220 5.876 1.00 0.35 C ATOM 353 OXT ALA A 23 1.577 4.264 4.091 1.00 1.33 O ATOM 354 H ALA A 23 -1.354 3.236 5.043 1.00 0.25 H ATOM 355 HA ALA A 23 0.572 3.746 7.038 1.00 0.28 H ATOM 356 HB1 ALA A 23 2.482 2.558 6.137 1.00 1.12 H ATOM 357 HB2 ALA A 23 1.484 1.873 4.853 1.00 1.08 H ATOM 358 HB3 ALA A 23 1.198 1.413 6.533 1.00 1.09 H TER 359 ALA A 23 ENDMDL MODEL 15 ATOM 1 N THR A 1 16.411 -5.316 2.838 1.00 4.74 N ATOM 2 CA THR A 1 15.864 -3.990 2.486 1.00 4.28 C ATOM 3 C THR A 1 14.517 -4.147 1.786 1.00 3.85 C ATOM 4 O THR A 1 14.298 -5.110 1.047 1.00 4.08 O ATOM 5 CB THR A 1 16.844 -3.196 1.583 1.00 4.65 C ATOM 6 OG1 THR A 1 16.343 -1.872 1.329 1.00 5.17 O ATOM 7 CG2 THR A 1 17.081 -3.910 0.258 1.00 4.88 C ATOM 8 H1 THR A 1 15.791 -5.786 3.465 1.00 4.93 H ATOM 9 H2 THR A 1 17.301 -5.219 3.278 1.00 4.98 H ATOM 10 H3 THR A 1 16.519 -5.873 2.014 1.00 5.05 H ATOM 11 HA THR A 1 15.717 -3.435 3.400 1.00 4.46 H ATOM 12 HB THR A 1 17.789 -3.114 2.100 1.00 4.91 H ATOM 13 HG1 THR A 1 15.964 -1.836 0.439 1.00 5.46 H ATOM 14 HG21 THR A 1 17.754 -3.324 -0.350 1.00 5.08 H ATOM 15 HG22 THR A 1 16.141 -4.029 -0.260 1.00 5.10 H ATOM 16 HG23 THR A 1 17.516 -4.880 0.445 1.00 5.13 H ATOM 17 N ILE A 2 13.607 -3.216 2.028 1.00 3.53 N ATOM 18 CA ILE A 2 12.286 -3.279 1.423 1.00 3.22 C ATOM 19 C ILE A 2 11.981 -2.011 0.639 1.00 2.69 C ATOM 20 O ILE A 2 12.464 -0.926 0.968 1.00 2.69 O ATOM 21 CB ILE A 2 11.172 -3.501 2.471 1.00 3.57 C ATOM 22 CG1 ILE A 2 11.180 -2.381 3.518 1.00 3.97 C ATOM 23 CG2 ILE A 2 11.331 -4.861 3.136 1.00 3.95 C ATOM 24 CD1 ILE A 2 10.035 -2.465 4.507 1.00 4.45 C ATOM 25 H ILE A 2 13.829 -2.464 2.623 1.00 3.73 H ATOM 26 HA ILE A 2 12.278 -4.117 0.740 1.00 3.33 H ATOM 27 HB ILE A 2 10.222 -3.492 1.956 1.00 3.84 H ATOM 28 HG12 ILE A 2 12.100 -2.427 4.077 1.00 4.24 H ATOM 29 HG13 ILE A 2 11.115 -1.426 3.016 1.00 4.21 H ATOM 30 HG21 ILE A 2 10.547 -4.998 3.865 1.00 4.15 H ATOM 31 HG22 ILE A 2 12.292 -4.910 3.627 1.00 4.32 H ATOM 32 HG23 ILE A 2 11.268 -5.638 2.389 1.00 4.23 H ATOM 33 HD11 ILE A 2 10.083 -3.407 5.033 1.00 4.75 H ATOM 34 HD12 ILE A 2 9.096 -2.396 3.979 1.00 4.72 H ATOM 35 HD13 ILE A 2 10.110 -1.653 5.214 1.00 4.70 H ATOM 36 N ILE A 3 11.190 -2.162 -0.407 1.00 2.42 N ATOM 37 CA ILE A 3 10.738 -1.034 -1.197 1.00 1.99 C ATOM 38 C ILE A 3 9.291 -0.720 -0.850 1.00 1.72 C ATOM 39 O ILE A 3 8.415 -1.580 -0.975 1.00 1.80 O ATOM 40 CB ILE A 3 10.850 -1.320 -2.711 1.00 2.08 C ATOM 41 CG1 ILE A 3 12.281 -1.733 -3.071 1.00 2.47 C ATOM 42 CG2 ILE A 3 10.426 -0.099 -3.520 1.00 1.90 C ATOM 43 CD1 ILE A 3 12.463 -2.109 -4.526 1.00 2.90 C ATOM 44 H ILE A 3 10.894 -3.067 -0.652 1.00 2.62 H ATOM 45 HA ILE A 3 11.357 -0.181 -0.958 1.00 2.04 H ATOM 46 HB ILE A 3 10.177 -2.128 -2.949 1.00 2.20 H ATOM 47 HG12 ILE A 3 12.949 -0.913 -2.857 1.00 2.70 H ATOM 48 HG13 ILE A 3 12.564 -2.585 -2.470 1.00 2.77 H ATOM 49 HG21 ILE A 3 9.406 0.160 -3.275 1.00 2.14 H ATOM 50 HG22 ILE A 3 10.497 -0.323 -4.573 1.00 2.12 H ATOM 51 HG23 ILE A 3 11.075 0.732 -3.284 1.00 2.18 H ATOM 52 HD11 ILE A 3 12.204 -1.268 -5.151 1.00 3.27 H ATOM 53 HD12 ILE A 3 11.823 -2.946 -4.765 1.00 3.27 H ATOM 54 HD13 ILE A 3 13.493 -2.384 -4.702 1.00 3.15 H ATOM 55 N ASN A 4 9.040 0.495 -0.397 1.00 1.59 N ATOM 56 CA ASN A 4 7.694 0.894 -0.017 1.00 1.47 C ATOM 57 C ASN A 4 6.910 1.312 -1.249 1.00 1.08 C ATOM 58 O ASN A 4 7.057 2.430 -1.746 1.00 1.14 O ATOM 59 CB ASN A 4 7.727 2.034 1.002 1.00 1.84 C ATOM 60 CG ASN A 4 6.340 2.390 1.509 1.00 1.94 C ATOM 61 OD1 ASN A 4 5.849 1.793 2.465 1.00 2.63 O ATOM 62 ND2 ASN A 4 5.707 3.373 0.887 1.00 2.01 N ATOM 63 H ASN A 4 9.773 1.143 -0.332 1.00 1.72 H ATOM 64 HA ASN A 4 7.210 0.038 0.428 1.00 1.58 H ATOM 65 HB2 ASN A 4 8.334 1.738 1.845 1.00 2.23 H ATOM 66 HB3 ASN A 4 8.158 2.909 0.542 1.00 2.18 H ATOM 67 HD21 ASN A 4 6.163 3.817 0.137 1.00 2.26 H ATOM 68 HD22 ASN A 4 4.809 3.613 1.194 1.00 2.28 H ATOM 69 N ALA A 5 6.084 0.405 -1.739 1.00 0.89 N ATOM 70 CA ALA A 5 5.329 0.640 -2.954 1.00 0.65 C ATOM 71 C ALA A 5 3.932 1.166 -2.641 1.00 0.56 C ATOM 72 O ALA A 5 3.168 0.536 -1.904 1.00 0.60 O ATOM 73 CB ALA A 5 5.249 -0.636 -3.775 1.00 0.80 C ATOM 74 H ALA A 5 5.975 -0.446 -1.267 1.00 1.05 H ATOM 75 HA ALA A 5 5.860 1.381 -3.534 1.00 0.71 H ATOM 76 HB1 ALA A 5 4.698 -1.384 -3.222 1.00 1.35 H ATOM 77 HB2 ALA A 5 6.245 -1.000 -3.975 1.00 1.32 H ATOM 78 HB3 ALA A 5 4.744 -0.434 -4.707 1.00 1.34 H ATOM 79 N PRO A 6 3.589 2.338 -3.188 1.00 0.64 N ATOM 80 CA PRO A 6 2.256 2.910 -3.049 1.00 0.70 C ATOM 81 C PRO A 6 1.262 2.211 -3.965 1.00 0.57 C ATOM 82 O PRO A 6 1.548 1.966 -5.137 1.00 0.65 O ATOM 83 CB PRO A 6 2.452 4.367 -3.471 1.00 0.95 C ATOM 84 CG PRO A 6 3.596 4.336 -4.423 1.00 1.21 C ATOM 85 CD PRO A 6 4.477 3.193 -3.993 1.00 0.87 C ATOM 86 HA PRO A 6 1.906 2.864 -2.028 1.00 0.78 H ATOM 87 HB2 PRO A 6 1.552 4.731 -3.945 1.00 1.00 H ATOM 88 HB3 PRO A 6 2.678 4.969 -2.605 1.00 1.12 H ATOM 89 HG2 PRO A 6 3.233 4.171 -5.428 1.00 1.50 H ATOM 90 HG3 PRO A 6 4.141 5.268 -4.370 1.00 1.58 H ATOM 91 HD2 PRO A 6 4.842 2.657 -4.854 1.00 0.93 H ATOM 92 HD3 PRO A 6 5.303 3.556 -3.398 1.00 0.93 H ATOM 93 N ASN A 7 0.102 1.876 -3.427 1.00 0.50 N ATOM 94 CA ASN A 7 -0.924 1.190 -4.200 1.00 0.42 C ATOM 95 C ASN A 7 -1.697 2.216 -5.026 1.00 0.48 C ATOM 96 O ASN A 7 -1.335 3.393 -5.037 1.00 0.56 O ATOM 97 CB ASN A 7 -1.870 0.427 -3.259 1.00 0.30 C ATOM 98 CG ASN A 7 -2.563 -0.760 -3.918 1.00 0.38 C ATOM 99 OD1 ASN A 7 -2.838 -0.759 -5.114 1.00 0.74 O ATOM 100 ND2 ASN A 7 -2.840 -1.791 -3.134 1.00 0.19 N ATOM 101 H ASN A 7 -0.074 2.111 -2.493 1.00 0.58 H ATOM 102 HA ASN A 7 -0.436 0.493 -4.865 1.00 0.49 H ATOM 103 HB2 ASN A 7 -1.304 0.062 -2.414 1.00 0.29 H ATOM 104 HB3 ASN A 7 -2.630 1.107 -2.903 1.00 0.33 H ATOM 105 HD21 ASN A 7 -2.587 -1.737 -2.187 1.00 0.27 H ATOM 106 HD22 ASN A 7 -3.291 -2.571 -3.534 1.00 0.26 H ATOM 107 N ARG A 8 -2.733 1.785 -5.728 1.00 0.51 N ATOM 108 CA ARG A 8 -3.606 2.711 -6.435 1.00 0.62 C ATOM 109 C ARG A 8 -4.215 3.679 -5.429 1.00 0.51 C ATOM 110 O ARG A 8 -4.382 4.869 -5.696 1.00 0.57 O ATOM 111 CB ARG A 8 -4.707 1.950 -7.176 1.00 0.75 C ATOM 112 CG ARG A 8 -4.177 0.944 -8.184 1.00 1.16 C ATOM 113 CD ARG A 8 -5.306 0.223 -8.900 1.00 1.75 C ATOM 114 NE ARG A 8 -6.209 -0.449 -7.965 1.00 2.48 N ATOM 115 CZ ARG A 8 -6.793 -1.622 -8.198 1.00 3.42 C ATOM 116 NH1 ARG A 8 -6.565 -2.274 -9.333 1.00 3.83 N ATOM 117 NH2 ARG A 8 -7.608 -2.142 -7.292 1.00 4.36 N ATOM 118 H ARG A 8 -2.912 0.819 -5.775 1.00 0.50 H ATOM 119 HA ARG A 8 -3.010 3.266 -7.143 1.00 0.73 H ATOM 120 HB2 ARG A 8 -5.310 1.422 -6.454 1.00 0.92 H ATOM 121 HB3 ARG A 8 -5.328 2.660 -7.701 1.00 1.07 H ATOM 122 HG2 ARG A 8 -3.577 1.465 -8.915 1.00 1.64 H ATOM 123 HG3 ARG A 8 -3.568 0.218 -7.666 1.00 1.67 H ATOM 124 HD2 ARG A 8 -5.869 0.942 -9.473 1.00 2.27 H ATOM 125 HD3 ARG A 8 -4.881 -0.513 -9.565 1.00 2.17 H ATOM 126 HE ARG A 8 -6.397 0.010 -7.114 1.00 2.70 H ATOM 127 HH11 ARG A 8 -5.951 -1.888 -10.025 1.00 3.58 H ATOM 128 HH12 ARG A 8 -7.007 -3.158 -9.501 1.00 4.66 H ATOM 129 HH21 ARG A 8 -7.785 -1.650 -6.434 1.00 4.53 H ATOM 130 HH22 ARG A 8 -8.052 -3.024 -7.459 1.00 5.09 H ATOM 131 N CYS A 9 -4.518 3.137 -4.261 1.00 0.38 N ATOM 132 CA CYS A 9 -4.975 3.915 -3.125 1.00 0.29 C ATOM 133 C CYS A 9 -3.924 4.959 -2.741 1.00 0.22 C ATOM 134 O CYS A 9 -2.726 4.673 -2.749 1.00 0.30 O ATOM 135 CB CYS A 9 -5.237 2.959 -1.964 1.00 0.31 C ATOM 136 SG CYS A 9 -6.377 1.605 -2.397 1.00 0.45 S ATOM 137 H CYS A 9 -4.434 2.167 -4.160 1.00 0.38 H ATOM 138 HA CYS A 9 -5.893 4.412 -3.398 1.00 0.32 H ATOM 139 HB2 CYS A 9 -4.300 2.515 -1.654 1.00 0.28 H ATOM 140 HB3 CYS A 9 -5.667 3.498 -1.134 1.00 0.31 H ATOM 141 N PRO A 10 -4.366 6.182 -2.407 1.00 0.21 N ATOM 142 CA PRO A 10 -3.466 7.311 -2.111 1.00 0.27 C ATOM 143 C PRO A 10 -2.585 7.069 -0.886 1.00 0.19 C ATOM 144 O PRO A 10 -2.905 6.217 -0.044 1.00 0.15 O ATOM 145 CB PRO A 10 -4.433 8.472 -1.844 1.00 0.39 C ATOM 146 CG PRO A 10 -5.711 7.816 -1.457 1.00 0.38 C ATOM 147 CD PRO A 10 -5.780 6.569 -2.284 1.00 0.28 C ATOM 148 HA PRO A 10 -2.842 7.549 -2.959 1.00 0.37 H ATOM 149 HB2 PRO A 10 -4.046 9.090 -1.047 1.00 0.46 H ATOM 150 HB3 PRO A 10 -4.548 9.063 -2.741 1.00 0.49 H ATOM 151 HG2 PRO A 10 -5.692 7.568 -0.404 1.00 0.41 H ATOM 152 HG3 PRO A 10 -6.545 8.464 -1.680 1.00 0.47 H ATOM 153 HD2 PRO A 10 -6.348 5.807 -1.772 1.00 0.33 H ATOM 154 HD3 PRO A 10 -6.209 6.779 -3.253 1.00 0.32 H ATOM 155 N PRO A 11 -1.458 7.817 -0.790 1.00 0.22 N ATOM 156 CA PRO A 11 -0.541 7.782 0.355 1.00 0.21 C ATOM 157 C PRO A 11 -1.277 7.660 1.680 1.00 0.17 C ATOM 158 O PRO A 11 -2.263 8.361 1.925 1.00 0.24 O ATOM 159 CB PRO A 11 0.170 9.125 0.253 1.00 0.29 C ATOM 160 CG PRO A 11 0.245 9.387 -1.211 1.00 0.35 C ATOM 161 CD PRO A 11 -0.985 8.761 -1.822 1.00 0.33 C ATOM 162 HA PRO A 11 0.177 6.980 0.268 1.00 0.25 H ATOM 163 HB2 PRO A 11 -0.407 9.881 0.765 1.00 0.31 H ATOM 164 HB3 PRO A 11 1.154 9.053 0.692 1.00 0.35 H ATOM 165 HG2 PRO A 11 0.252 10.451 -1.393 1.00 0.42 H ATOM 166 HG3 PRO A 11 1.136 8.933 -1.618 1.00 0.45 H ATOM 167 HD2 PRO A 11 -1.731 9.514 -2.020 1.00 0.40 H ATOM 168 HD3 PRO A 11 -0.728 8.237 -2.731 1.00 0.44 H ATOM 169 N GLY A 12 -0.799 6.774 2.532 1.00 0.16 N ATOM 170 CA GLY A 12 -1.562 6.394 3.688 1.00 0.17 C ATOM 171 C GLY A 12 -2.071 4.989 3.515 1.00 0.11 C ATOM 172 O GLY A 12 -2.595 4.379 4.440 1.00 0.14 O ATOM 173 H GLY A 12 0.089 6.375 2.380 1.00 0.21 H ATOM 174 HA2 GLY A 12 -0.934 6.448 4.566 1.00 0.23 H ATOM 175 HA3 GLY A 12 -2.400 7.064 3.801 1.00 0.20 H ATOM 176 N HIS A 13 -1.932 4.486 2.294 1.00 0.12 N ATOM 177 CA HIS A 13 -2.213 3.093 1.999 1.00 0.13 C ATOM 178 C HIS A 13 -1.173 2.559 1.036 1.00 0.18 C ATOM 179 O HIS A 13 -0.933 3.148 -0.016 1.00 0.36 O ATOM 180 CB HIS A 13 -3.589 2.900 1.373 1.00 0.20 C ATOM 181 CG HIS A 13 -4.688 3.668 2.036 1.00 0.28 C ATOM 182 ND1 HIS A 13 -5.052 4.942 1.647 1.00 0.44 N ATOM 183 CD2 HIS A 13 -5.505 3.343 3.060 1.00 0.41 C ATOM 184 CE1 HIS A 13 -6.046 5.362 2.405 1.00 0.49 C ATOM 185 NE2 HIS A 13 -6.338 4.412 3.269 1.00 0.47 N ATOM 186 H HIS A 13 -1.636 5.077 1.566 1.00 0.16 H ATOM 187 HA HIS A 13 -2.159 2.535 2.923 1.00 0.13 H ATOM 188 HB2 HIS A 13 -3.552 3.202 0.338 1.00 0.25 H ATOM 189 HB3 HIS A 13 -3.833 1.845 1.429 1.00 0.22 H ATOM 190 HD1 HIS A 13 -4.629 5.468 0.931 1.00 0.58 H ATOM 191 HD2 HIS A 13 -5.505 2.412 3.609 1.00 0.56 H ATOM 192 HE1 HIS A 13 -6.537 6.319 2.329 1.00 0.63 H ATOM 193 HE2 HIS A 13 -7.006 4.486 3.989 1.00 0.61 H ATOM 194 N VAL A 14 -0.573 1.447 1.388 1.00 0.11 N ATOM 195 CA VAL A 14 0.466 0.851 0.563 1.00 0.13 C ATOM 196 C VAL A 14 -0.014 -0.466 -0.022 1.00 0.11 C ATOM 197 O VAL A 14 -0.971 -1.057 0.481 1.00 0.15 O ATOM 198 CB VAL A 14 1.760 0.620 1.375 1.00 0.19 C ATOM 199 CG1 VAL A 14 2.252 1.928 1.976 1.00 0.26 C ATOM 200 CG2 VAL A 14 1.539 -0.419 2.468 1.00 0.23 C ATOM 201 H VAL A 14 -0.837 1.008 2.227 1.00 0.16 H ATOM 202 HA VAL A 14 0.680 1.533 -0.247 1.00 0.16 H ATOM 203 HB VAL A 14 2.521 0.249 0.704 1.00 0.23 H ATOM 204 HG11 VAL A 14 2.492 2.621 1.185 1.00 1.02 H ATOM 205 HG12 VAL A 14 3.134 1.741 2.573 1.00 1.05 H ATOM 206 HG13 VAL A 14 1.475 2.350 2.602 1.00 1.07 H ATOM 207 HG21 VAL A 14 2.461 -0.575 3.008 1.00 1.05 H ATOM 208 HG22 VAL A 14 1.221 -1.348 2.022 1.00 1.05 H ATOM 209 HG23 VAL A 14 0.778 -0.068 3.149 1.00 1.04 H ATOM 210 N VAL A 15 0.628 -0.914 -1.095 1.00 0.16 N ATOM 211 CA VAL A 15 0.233 -2.153 -1.733 1.00 0.17 C ATOM 212 C VAL A 15 0.904 -3.352 -1.075 1.00 0.18 C ATOM 213 O VAL A 15 2.096 -3.608 -1.241 1.00 0.28 O ATOM 214 CB VAL A 15 0.497 -2.146 -3.260 1.00 0.24 C ATOM 215 CG1 VAL A 15 1.956 -1.870 -3.583 1.00 0.42 C ATOM 216 CG2 VAL A 15 0.042 -3.459 -3.882 1.00 0.37 C ATOM 217 H VAL A 15 1.387 -0.403 -1.460 1.00 0.23 H ATOM 218 HA VAL A 15 -0.834 -2.252 -1.588 1.00 0.14 H ATOM 219 HB VAL A 15 -0.091 -1.352 -3.690 1.00 0.42 H ATOM 220 HG11 VAL A 15 2.096 -1.878 -4.654 1.00 1.13 H ATOM 221 HG12 VAL A 15 2.575 -2.632 -3.133 1.00 1.12 H ATOM 222 HG13 VAL A 15 2.233 -0.903 -3.191 1.00 1.12 H ATOM 223 HG21 VAL A 15 0.652 -4.265 -3.504 1.00 1.12 H ATOM 224 HG22 VAL A 15 0.141 -3.403 -4.955 1.00 1.10 H ATOM 225 HG23 VAL A 15 -0.993 -3.642 -3.624 1.00 1.09 H ATOM 226 N VAL A 16 0.121 -4.057 -0.289 1.00 0.14 N ATOM 227 CA VAL A 16 0.556 -5.282 0.336 1.00 0.18 C ATOM 228 C VAL A 16 -0.362 -6.421 -0.094 1.00 0.14 C ATOM 229 O VAL A 16 -1.541 -6.462 0.273 1.00 0.21 O ATOM 230 CB VAL A 16 0.588 -5.134 1.873 1.00 0.29 C ATOM 231 CG1 VAL A 16 -0.729 -4.581 2.400 1.00 0.51 C ATOM 232 CG2 VAL A 16 0.934 -6.456 2.544 1.00 0.55 C ATOM 233 H VAL A 16 -0.792 -3.737 -0.113 1.00 0.14 H ATOM 234 HA VAL A 16 1.559 -5.491 -0.009 1.00 0.24 H ATOM 235 HB VAL A 16 1.362 -4.422 2.117 1.00 0.50 H ATOM 236 HG11 VAL A 16 -1.537 -5.236 2.110 1.00 1.17 H ATOM 237 HG12 VAL A 16 -0.902 -3.594 1.985 1.00 1.17 H ATOM 238 HG13 VAL A 16 -0.687 -4.515 3.477 1.00 1.19 H ATOM 239 HG21 VAL A 16 0.206 -7.202 2.263 1.00 1.20 H ATOM 240 HG22 VAL A 16 0.923 -6.329 3.617 1.00 1.18 H ATOM 241 HG23 VAL A 16 1.916 -6.774 2.228 1.00 1.21 H ATOM 242 N LYS A 17 0.176 -7.314 -0.920 1.00 0.20 N ATOM 243 CA LYS A 17 -0.594 -8.422 -1.480 1.00 0.30 C ATOM 244 C LYS A 17 -1.731 -7.897 -2.354 1.00 0.25 C ATOM 245 O LYS A 17 -2.809 -8.486 -2.414 1.00 0.33 O ATOM 246 CB LYS A 17 -1.146 -9.317 -0.365 1.00 0.44 C ATOM 247 CG LYS A 17 -0.068 -10.043 0.425 1.00 0.92 C ATOM 248 CD LYS A 17 -0.634 -10.715 1.669 1.00 1.34 C ATOM 249 CE LYS A 17 -1.786 -11.648 1.331 1.00 2.04 C ATOM 250 NZ LYS A 17 -2.307 -12.347 2.534 1.00 2.67 N ATOM 251 H LYS A 17 1.122 -7.221 -1.165 1.00 0.27 H ATOM 252 HA LYS A 17 0.074 -9.004 -2.097 1.00 0.40 H ATOM 253 HB2 LYS A 17 -1.716 -8.707 0.321 1.00 0.83 H ATOM 254 HB3 LYS A 17 -1.800 -10.056 -0.803 1.00 0.81 H ATOM 255 HG2 LYS A 17 0.378 -10.797 -0.205 1.00 1.38 H ATOM 256 HG3 LYS A 17 0.686 -9.330 0.724 1.00 1.42 H ATOM 257 HD2 LYS A 17 0.150 -11.287 2.142 1.00 1.78 H ATOM 258 HD3 LYS A 17 -0.984 -9.954 2.348 1.00 1.80 H ATOM 259 HE2 LYS A 17 -2.584 -11.069 0.891 1.00 2.51 H ATOM 260 HE3 LYS A 17 -1.441 -12.383 0.619 1.00 2.53 H ATOM 261 HZ1 LYS A 17 -2.663 -11.685 3.193 1.00 3.04 H ATOM 262 HZ2 LYS A 17 -1.578 -12.874 2.972 1.00 3.03 H ATOM 263 HZ3 LYS A 17 -3.042 -12.975 2.277 1.00 3.03 H ATOM 264 N GLY A 18 -1.483 -6.773 -3.020 1.00 0.21 N ATOM 265 CA GLY A 18 -2.475 -6.186 -3.903 1.00 0.25 C ATOM 266 C GLY A 18 -3.444 -5.266 -3.180 1.00 0.26 C ATOM 267 O GLY A 18 -4.145 -4.471 -3.807 1.00 0.51 O ATOM 268 H GLY A 18 -0.606 -6.342 -2.920 1.00 0.23 H ATOM 269 HA2 GLY A 18 -1.968 -5.619 -4.669 1.00 0.29 H ATOM 270 HA3 GLY A 18 -3.036 -6.981 -4.371 1.00 0.28 H ATOM 271 N ARG A 19 -3.466 -5.353 -1.859 1.00 0.12 N ATOM 272 CA ARG A 19 -4.427 -4.604 -1.060 1.00 0.16 C ATOM 273 C ARG A 19 -3.776 -3.345 -0.495 1.00 0.12 C ATOM 274 O ARG A 19 -2.561 -3.295 -0.317 1.00 0.18 O ATOM 275 CB ARG A 19 -4.986 -5.492 0.062 1.00 0.28 C ATOM 276 CG ARG A 19 -4.477 -5.151 1.452 1.00 0.68 C ATOM 277 CD ARG A 19 -5.627 -5.013 2.434 1.00 0.94 C ATOM 278 NE ARG A 19 -6.604 -4.018 1.985 1.00 1.06 N ATOM 279 CZ ARG A 19 -7.481 -3.419 2.787 1.00 1.47 C ATOM 280 NH1 ARG A 19 -7.496 -3.697 4.086 1.00 1.66 N ATOM 281 NH2 ARG A 19 -8.342 -2.540 2.289 1.00 1.91 N ATOM 282 H ARG A 19 -2.805 -5.921 -1.409 1.00 0.20 H ATOM 283 HA ARG A 19 -5.239 -4.308 -1.704 1.00 0.22 H ATOM 284 HB2 ARG A 19 -6.061 -5.404 0.066 1.00 0.79 H ATOM 285 HB3 ARG A 19 -4.723 -6.519 -0.150 1.00 0.80 H ATOM 286 HG2 ARG A 19 -3.819 -5.938 1.790 1.00 1.15 H ATOM 287 HG3 ARG A 19 -3.935 -4.218 1.411 1.00 1.10 H ATOM 288 HD2 ARG A 19 -6.118 -5.969 2.534 1.00 1.23 H ATOM 289 HD3 ARG A 19 -5.232 -4.708 3.392 1.00 1.42 H ATOM 290 HE ARG A 19 -6.608 -3.791 1.025 1.00 1.10 H ATOM 291 HH11 ARG A 19 -6.848 -4.359 4.468 1.00 1.58 H ATOM 292 HH12 ARG A 19 -8.150 -3.236 4.694 1.00 2.02 H ATOM 293 HH21 ARG A 19 -8.332 -2.322 1.310 1.00 1.98 H ATOM 294 HH22 ARG A 19 -9.015 -2.099 2.889 1.00 2.27 H ATOM 295 N CYS A 20 -4.580 -2.319 -0.245 1.00 0.12 N ATOM 296 CA CYS A 20 -4.065 -1.067 0.287 1.00 0.13 C ATOM 297 C CYS A 20 -4.164 -1.058 1.806 1.00 0.13 C ATOM 298 O CYS A 20 -5.255 -0.982 2.367 1.00 0.22 O ATOM 299 CB CYS A 20 -4.834 0.117 -0.286 1.00 0.24 C ATOM 300 SG CYS A 20 -5.296 -0.067 -2.035 1.00 1.00 S ATOM 301 H CYS A 20 -5.541 -2.404 -0.423 1.00 0.17 H ATOM 302 HA CYS A 20 -3.026 -0.987 0.003 1.00 0.16 H ATOM 303 HB2 CYS A 20 -5.735 0.268 0.282 1.00 0.96 H ATOM 304 HB3 CYS A 20 -4.219 1.000 -0.207 1.00 0.83 H ATOM 305 N ARG A 21 -3.018 -1.133 2.457 1.00 0.11 N ATOM 306 CA ARG A 21 -2.954 -1.192 3.912 1.00 0.15 C ATOM 307 C ARG A 21 -2.582 0.176 4.473 1.00 0.11 C ATOM 308 O ARG A 21 -1.747 0.874 3.898 1.00 0.15 O ATOM 309 CB ARG A 21 -1.924 -2.251 4.320 1.00 0.25 C ATOM 310 CG ARG A 21 -1.964 -2.663 5.785 1.00 0.75 C ATOM 311 CD ARG A 21 -1.132 -1.749 6.665 1.00 0.82 C ATOM 312 NE ARG A 21 0.299 -1.868 6.390 1.00 0.79 N ATOM 313 CZ ARG A 21 1.248 -1.665 7.303 1.00 1.18 C ATOM 314 NH1 ARG A 21 0.921 -1.319 8.543 1.00 1.84 N ATOM 315 NH2 ARG A 21 2.523 -1.810 6.974 1.00 1.28 N ATOM 316 H ARG A 21 -2.182 -1.144 1.941 1.00 0.13 H ATOM 317 HA ARG A 21 -3.927 -1.476 4.284 1.00 0.22 H ATOM 318 HB2 ARG A 21 -2.088 -3.134 3.724 1.00 0.70 H ATOM 319 HB3 ARG A 21 -0.936 -1.869 4.107 1.00 0.73 H ATOM 320 HG2 ARG A 21 -2.986 -2.634 6.127 1.00 1.35 H ATOM 321 HG3 ARG A 21 -1.586 -3.670 5.873 1.00 1.24 H ATOM 322 HD2 ARG A 21 -1.437 -0.727 6.490 1.00 1.08 H ATOM 323 HD3 ARG A 21 -1.312 -2.004 7.698 1.00 1.18 H ATOM 324 HE ARG A 21 0.566 -2.118 5.474 1.00 0.97 H ATOM 325 HH11 ARG A 21 -0.043 -1.204 8.796 1.00 1.95 H ATOM 326 HH12 ARG A 21 1.636 -1.176 9.232 1.00 2.35 H ATOM 327 HH21 ARG A 21 2.776 -2.071 6.038 1.00 1.21 H ATOM 328 HH22 ARG A 21 3.241 -1.658 7.657 1.00 1.69 H ATOM 329 N ILE A 22 -3.218 0.548 5.581 1.00 0.14 N ATOM 330 CA ILE A 22 -2.984 1.841 6.231 1.00 0.16 C ATOM 331 C ILE A 22 -1.516 2.025 6.593 1.00 0.17 C ATOM 332 O ILE A 22 -1.013 1.378 7.515 1.00 0.31 O ATOM 333 CB ILE A 22 -3.799 1.971 7.532 1.00 0.28 C ATOM 334 CG1 ILE A 22 -5.293 1.730 7.283 1.00 0.39 C ATOM 335 CG2 ILE A 22 -3.580 3.340 8.170 1.00 0.33 C ATOM 336 CD1 ILE A 22 -5.968 2.819 6.476 1.00 1.22 C ATOM 337 H ILE A 22 -3.871 -0.068 5.979 1.00 0.20 H ATOM 338 HA ILE A 22 -3.289 2.625 5.553 1.00 0.18 H ATOM 339 HB ILE A 22 -3.426 1.225 8.217 1.00 0.32 H ATOM 340 HG12 ILE A 22 -5.416 0.803 6.748 1.00 1.13 H ATOM 341 HG13 ILE A 22 -5.801 1.662 8.235 1.00 1.18 H ATOM 342 HG21 ILE A 22 -2.531 3.467 8.397 1.00 1.07 H ATOM 343 HG22 ILE A 22 -4.155 3.410 9.081 1.00 1.08 H ATOM 344 HG23 ILE A 22 -3.897 4.111 7.484 1.00 1.08 H ATOM 345 HD11 ILE A 22 -5.914 3.752 7.015 1.00 1.81 H ATOM 346 HD12 ILE A 22 -7.001 2.557 6.312 1.00 1.85 H ATOM 347 HD13 ILE A 22 -5.467 2.923 5.525 1.00 1.82 H ATOM 348 N ALA A 23 -0.845 2.909 5.874 1.00 0.17 N ATOM 349 CA ALA A 23 0.534 3.232 6.153 1.00 0.23 C ATOM 350 C ALA A 23 0.918 4.539 5.464 1.00 0.40 C ATOM 351 O ALA A 23 1.222 4.523 4.253 1.00 0.64 O ATOM 352 CB ALA A 23 1.431 2.084 5.727 1.00 0.35 C ATOM 353 OXT ALA A 23 0.887 5.590 6.135 1.00 1.33 O ATOM 354 H ALA A 23 -1.294 3.354 5.123 1.00 0.25 H ATOM 355 HA ALA A 23 0.635 3.361 7.221 1.00 0.28 H ATOM 356 HB1 ALA A 23 1.382 1.967 4.657 1.00 1.12 H ATOM 357 HB2 ALA A 23 1.087 1.176 6.204 1.00 1.08 H ATOM 358 HB3 ALA A 23 2.447 2.288 6.025 1.00 1.09 H TER 359 ALA A 23 ENDMDL CONECT 136 300 CONECT 300 136 MASTER 83 0 0 0 0 0 0 6 172 1 2 2 END