USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 447 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 ASN : amide:sc= 0.379 K(o=0.54,f=-6.9!) USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.164 USER MOD Set 2.1: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 54 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 22 SER OG : rot 180:sc= 0.144 USER MOD Set 3.2: A 43 SER OG : rot 131:sc= 0.143 USER MOD Set 4.1: A 8 ASN : amide:sc= -0.162 K(o=0.12,f=1.3) USER MOD Set 4.2: A 11 SER OG : rot 180:sc= 0.28 USER MOD Single : A 1 SER N :NH3+ 140:sc= 0.344 (180deg=0.0239) USER MOD Single : A 1 SER OG : rot 180:sc= 0.171 USER MOD Single : A 3 THR OG1 : rot 107:sc= 0.776 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -53:sc= -1.23 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 126:sc= 1.17 (180deg=0.159) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.0147 K(o=-0.015,f=-0.59) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0758 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.126 USER MOD Single : A 39 GLN : amide:sc= -1.22 K(o=-1.2,f=-2.2) USER MOD Single : A 45 LYS NZ :NH3+ -144:sc= 1.15 (180deg=-0.552!) USER MOD Single : A 48 LYS NZ :NH3+ -105:sc= 1.26 (180deg=-0.142) USER MOD Single : A 53 ASN : amide:sc= -0.0283 X(o=-0.028,f=-0.37) USER MOD Single : A 62 ASN : amide:sc= 0.357 K(o=0.36,f=-5.1!) USER MOD Single : A 65 ASN : amide:sc= -3.06! C(o=-3.1!,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -3.362 14.013 -3.208 1.00 0.00 N ATOM 2 CA SER A 1 -3.007 13.643 -4.591 1.00 0.00 C ATOM 3 C SER A 1 -1.901 12.587 -4.586 1.00 0.00 C ATOM 4 O SER A 1 -1.984 11.597 -3.856 1.00 0.00 O ATOM 5 CB SER A 1 -2.565 14.895 -5.353 1.00 0.00 C ATOM 6 OG SER A 1 -3.192 16.058 -4.830 1.00 0.00 O ATOM 0 H1 SER A 1 -3.523 15.039 -3.154 1.00 0.00 H new ATOM 0 H2 SER A 1 -4.228 13.511 -2.926 1.00 0.00 H new ATOM 0 H3 SER A 1 -2.586 13.750 -2.568 1.00 0.00 H new ATOM 0 HA SER A 1 -3.877 13.217 -5.091 1.00 0.00 H new ATOM 0 HB2 SER A 1 -1.482 15.001 -5.288 1.00 0.00 H new ATOM 0 HB3 SER A 1 -2.812 14.788 -6.409 1.00 0.00 H new ATOM 0 HG SER A 1 -2.893 16.845 -5.332 1.00 0.00 H new ATOM 14 N ALA A 2 -0.865 12.793 -5.388 1.00 0.00 N ATOM 15 CA ALA A 2 0.257 11.873 -5.415 1.00 0.00 C ATOM 16 C ALA A 2 1.187 12.134 -4.234 1.00 0.00 C ATOM 17 O ALA A 2 2.088 12.971 -4.312 1.00 0.00 O ATOM 18 CB ALA A 2 1.013 11.990 -6.730 1.00 0.00 C ATOM 0 H ALA A 2 -0.781 13.586 -6.024 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.127 10.856 -5.332 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.851 11.293 -6.731 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.343 11.754 -7.557 1.00 0.00 H new ATOM 0 HB3 ALA A 2 1.388 13.007 -6.845 1.00 0.00 H new ATOM 24 N THR A 3 0.966 11.414 -3.146 1.00 0.00 N ATOM 25 CA THR A 3 1.762 11.583 -1.943 1.00 0.00 C ATOM 26 C THR A 3 3.120 10.909 -2.095 1.00 0.00 C ATOM 27 O THR A 3 3.211 9.758 -2.518 1.00 0.00 O ATOM 28 CB THR A 3 1.027 10.985 -0.733 1.00 0.00 C ATOM 29 OG1 THR A 3 -0.195 10.381 -1.176 1.00 0.00 O ATOM 30 CG2 THR A 3 0.724 12.054 0.304 1.00 0.00 C ATOM 0 H THR A 3 0.238 10.704 -3.072 1.00 0.00 H new ATOM 0 HA THR A 3 1.914 12.651 -1.784 1.00 0.00 H new ATOM 0 HB THR A 3 1.668 10.235 -0.270 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.107 9.405 -1.148 1.00 0.00 H new ATOM 0 HG21 THR A 3 0.204 11.604 1.149 1.00 0.00 H new ATOM 0 HG22 THR A 3 1.656 12.502 0.648 1.00 0.00 H new ATOM 0 HG23 THR A 3 0.094 12.824 -0.141 1.00 0.00 H new ATOM 38 N THR A 4 4.170 11.642 -1.763 1.00 0.00 N ATOM 39 CA THR A 4 5.527 11.163 -1.934 1.00 0.00 C ATOM 40 C THR A 4 6.020 10.463 -0.676 1.00 0.00 C ATOM 41 O THR A 4 5.891 10.985 0.432 1.00 0.00 O ATOM 42 CB THR A 4 6.469 12.330 -2.285 1.00 0.00 C ATOM 43 OG1 THR A 4 5.767 13.287 -3.089 1.00 0.00 O ATOM 44 CG2 THR A 4 7.700 11.836 -3.030 1.00 0.00 C ATOM 0 H THR A 4 4.104 12.581 -1.370 1.00 0.00 H new ATOM 0 HA THR A 4 5.528 10.445 -2.754 1.00 0.00 H new ATOM 0 HB THR A 4 6.798 12.798 -1.357 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.366 14.030 -3.311 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.347 12.681 -3.265 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.243 11.126 -2.406 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.394 11.346 -3.954 1.00 0.00 H new ATOM 52 N ILE A 5 6.560 9.267 -0.850 1.00 0.00 N ATOM 53 CA ILE A 5 7.113 8.510 0.261 1.00 0.00 C ATOM 54 C ILE A 5 8.619 8.360 0.093 1.00 0.00 C ATOM 55 O ILE A 5 9.116 8.239 -1.028 1.00 0.00 O ATOM 56 CB ILE A 5 6.462 7.110 0.400 1.00 0.00 C ATOM 57 CG1 ILE A 5 7.000 6.136 -0.654 1.00 0.00 C ATOM 58 CG2 ILE A 5 4.951 7.213 0.296 1.00 0.00 C ATOM 59 CD1 ILE A 5 6.957 4.687 -0.220 1.00 0.00 C ATOM 0 H ILE A 5 6.627 8.799 -1.754 1.00 0.00 H new ATOM 0 HA ILE A 5 6.894 9.068 1.172 1.00 0.00 H new ATOM 0 HB ILE A 5 6.723 6.720 1.384 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.420 6.249 -1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.029 6.404 -0.893 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.511 6.221 0.396 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.575 7.858 1.090 1.00 0.00 H new ATOM 0 HG23 ILE A 5 4.681 7.634 -0.672 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.353 4.057 -1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.560 4.558 0.679 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.927 4.401 -0.009 1.00 0.00 H new ATOM 71 N GLY A 6 9.340 8.389 1.201 1.00 0.00 N ATOM 72 CA GLY A 6 10.773 8.199 1.151 1.00 0.00 C ATOM 73 C GLY A 6 11.151 6.736 1.239 1.00 0.00 C ATOM 74 O GLY A 6 10.392 5.870 0.801 1.00 0.00 O ATOM 0 H GLY A 6 8.959 8.541 2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 6 11.163 8.620 0.224 1.00 0.00 H new ATOM 0 HA3 GLY A 6 11.241 8.745 1.970 1.00 0.00 H new ATOM 78 N PRO A 7 12.327 6.426 1.799 1.00 0.00 N ATOM 79 CA PRO A 7 12.780 5.050 1.993 1.00 0.00 C ATOM 80 C PRO A 7 12.139 4.399 3.217 1.00 0.00 C ATOM 81 O PRO A 7 12.327 3.210 3.472 1.00 0.00 O ATOM 82 CB PRO A 7 14.298 5.188 2.199 1.00 0.00 C ATOM 83 CG PRO A 7 14.612 6.643 2.031 1.00 0.00 C ATOM 84 CD PRO A 7 13.331 7.386 2.262 1.00 0.00 C ATOM 0 HA PRO A 7 12.510 4.414 1.150 1.00 0.00 H new ATOM 0 HB2 PRO A 7 14.590 4.839 3.189 1.00 0.00 H new ATOM 0 HB3 PRO A 7 14.846 4.585 1.474 1.00 0.00 H new ATOM 0 HG2 PRO A 7 15.377 6.959 2.741 1.00 0.00 H new ATOM 0 HG3 PRO A 7 15.001 6.843 1.033 1.00 0.00 H new ATOM 0 HD2 PRO A 7 13.194 7.644 3.312 1.00 0.00 H new ATOM 0 HD3 PRO A 7 13.294 8.318 1.698 1.00 0.00 H new ATOM 92 N ASN A 8 11.380 5.189 3.969 1.00 0.00 N ATOM 93 CA ASN A 8 10.707 4.701 5.167 1.00 0.00 C ATOM 94 C ASN A 8 9.580 5.648 5.557 1.00 0.00 C ATOM 95 O ASN A 8 9.824 6.739 6.072 1.00 0.00 O ATOM 96 CB ASN A 8 11.698 4.564 6.330 1.00 0.00 C ATOM 97 CG ASN A 8 11.006 4.323 7.658 1.00 0.00 C ATOM 98 OD1 ASN A 8 10.378 3.284 7.867 1.00 0.00 O ATOM 99 ND2 ASN A 8 11.109 5.287 8.559 1.00 0.00 N ATOM 0 H ASN A 8 11.215 6.175 3.768 1.00 0.00 H new ATOM 0 HA ASN A 8 10.290 3.718 4.949 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.381 3.740 6.125 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.301 5.469 6.397 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.658 5.185 9.468 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.639 6.131 8.344 1.00 0.00 H new ATOM 106 N THR A 9 8.350 5.248 5.283 1.00 0.00 N ATOM 107 CA THR A 9 7.198 6.067 5.619 1.00 0.00 C ATOM 108 C THR A 9 6.499 5.575 6.886 1.00 0.00 C ATOM 109 O THR A 9 5.708 6.301 7.488 1.00 0.00 O ATOM 110 CB THR A 9 6.192 6.085 4.458 1.00 0.00 C ATOM 111 OG1 THR A 9 6.819 5.595 3.266 1.00 0.00 O ATOM 112 CG2 THR A 9 5.667 7.488 4.213 1.00 0.00 C ATOM 0 H THR A 9 8.124 4.363 4.830 1.00 0.00 H new ATOM 0 HA THR A 9 7.567 7.076 5.801 1.00 0.00 H new ATOM 0 HB THR A 9 5.352 5.443 4.725 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.646 6.095 3.102 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.957 7.472 3.386 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.169 7.852 5.112 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.497 8.149 3.965 1.00 0.00 H new ATOM 120 N CYS A 10 6.807 4.354 7.305 1.00 0.00 N ATOM 121 CA CYS A 10 6.133 3.756 8.451 1.00 0.00 C ATOM 122 C CYS A 10 7.138 3.326 9.516 1.00 0.00 C ATOM 123 O CYS A 10 7.431 2.141 9.667 1.00 0.00 O ATOM 124 CB CYS A 10 5.289 2.559 8.002 1.00 0.00 C ATOM 125 SG CYS A 10 4.147 2.930 6.631 1.00 0.00 S ATOM 0 H CYS A 10 7.515 3.761 6.872 1.00 0.00 H new ATOM 0 HA CYS A 10 5.477 4.508 8.890 1.00 0.00 H new ATOM 0 HB2 CYS A 10 5.955 1.751 7.698 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.713 2.194 8.852 1.00 0.00 H new ATOM 130 N SER A 11 7.647 4.297 10.267 1.00 0.00 N ATOM 131 CA SER A 11 8.648 4.039 11.296 1.00 0.00 C ATOM 132 C SER A 11 8.003 3.511 12.576 1.00 0.00 C ATOM 133 O SER A 11 8.083 4.135 13.634 1.00 0.00 O ATOM 134 CB SER A 11 9.426 5.321 11.594 1.00 0.00 C ATOM 135 OG SER A 11 9.239 6.280 10.563 1.00 0.00 O ATOM 0 H SER A 11 7.380 5.278 10.181 1.00 0.00 H new ATOM 0 HA SER A 11 9.331 3.276 10.923 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.098 5.737 12.547 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.487 5.092 11.695 1.00 0.00 H new ATOM 0 HG SER A 11 9.745 7.092 10.776 1.00 0.00 H new ATOM 141 N ILE A 12 7.354 2.363 12.470 1.00 0.00 N ATOM 142 CA ILE A 12 6.726 1.729 13.618 1.00 0.00 C ATOM 143 C ILE A 12 7.387 0.387 13.890 1.00 0.00 C ATOM 144 O ILE A 12 7.894 0.141 14.981 1.00 0.00 O ATOM 145 CB ILE A 12 5.209 1.514 13.406 1.00 0.00 C ATOM 146 CG1 ILE A 12 4.597 2.686 12.637 1.00 0.00 C ATOM 147 CG2 ILE A 12 4.506 1.336 14.745 1.00 0.00 C ATOM 148 CD1 ILE A 12 3.633 2.264 11.551 1.00 0.00 C ATOM 0 H ILE A 12 7.248 1.849 11.596 1.00 0.00 H new ATOM 0 HA ILE A 12 6.856 2.396 14.470 1.00 0.00 H new ATOM 0 HB ILE A 12 5.072 0.608 12.816 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.077 3.338 13.339 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.399 3.274 12.190 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.439 1.186 14.579 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.919 0.469 15.260 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.656 2.226 15.356 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.240 3.148 11.050 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.153 1.637 10.826 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.810 1.702 11.993 1.00 0.00 H new ATOM 160 N ASP A 13 7.385 -0.464 12.873 1.00 0.00 N ATOM 161 CA ASP A 13 8.010 -1.778 12.943 1.00 0.00 C ATOM 162 C ASP A 13 7.981 -2.416 11.563 1.00 0.00 C ATOM 163 O ASP A 13 8.270 -1.747 10.569 1.00 0.00 O ATOM 164 CB ASP A 13 7.301 -2.678 13.959 1.00 0.00 C ATOM 165 CG ASP A 13 8.213 -3.766 14.491 1.00 0.00 C ATOM 166 OD1 ASP A 13 9.327 -3.929 13.954 1.00 0.00 O ATOM 167 OD2 ASP A 13 7.818 -4.463 15.444 1.00 0.00 O ATOM 0 H ASP A 13 6.949 -0.262 11.973 1.00 0.00 H new ATOM 0 HA ASP A 13 9.042 -1.659 13.274 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.938 -2.072 14.789 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.428 -3.134 13.492 1.00 0.00 H new ATOM 172 N ASP A 14 7.604 -3.686 11.492 1.00 0.00 N ATOM 173 CA ASP A 14 7.493 -4.371 10.213 1.00 0.00 C ATOM 174 C ASP A 14 6.183 -3.996 9.529 1.00 0.00 C ATOM 175 O ASP A 14 5.280 -4.818 9.368 1.00 0.00 O ATOM 176 CB ASP A 14 7.583 -5.886 10.384 1.00 0.00 C ATOM 177 CG ASP A 14 7.894 -6.582 9.074 1.00 0.00 C ATOM 178 OD1 ASP A 14 8.324 -5.899 8.119 1.00 0.00 O ATOM 179 OD2 ASP A 14 7.711 -7.814 8.989 1.00 0.00 O ATOM 0 H ASP A 14 7.371 -4.260 12.302 1.00 0.00 H new ATOM 0 HA ASP A 14 8.328 -4.054 9.588 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.356 -6.124 11.115 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.641 -6.264 10.782 1.00 0.00 H new ATOM 184 N TYR A 15 6.089 -2.735 9.153 1.00 0.00 N ATOM 185 CA TYR A 15 4.933 -2.212 8.456 1.00 0.00 C ATOM 186 C TYR A 15 5.381 -1.614 7.135 1.00 0.00 C ATOM 187 O TYR A 15 6.218 -0.709 7.107 1.00 0.00 O ATOM 188 CB TYR A 15 4.227 -1.151 9.306 1.00 0.00 C ATOM 189 CG TYR A 15 3.288 -1.723 10.341 1.00 0.00 C ATOM 190 CD1 TYR A 15 2.026 -2.177 9.985 1.00 0.00 C ATOM 191 CD2 TYR A 15 3.661 -1.804 11.677 1.00 0.00 C ATOM 192 CE1 TYR A 15 1.162 -2.700 10.928 1.00 0.00 C ATOM 193 CE2 TYR A 15 2.805 -2.326 12.627 1.00 0.00 C ATOM 194 CZ TYR A 15 1.556 -2.770 12.248 1.00 0.00 C ATOM 195 OH TYR A 15 0.699 -3.289 13.191 1.00 0.00 O ATOM 0 H TYR A 15 6.817 -2.042 9.324 1.00 0.00 H new ATOM 0 HA TYR A 15 4.227 -3.021 8.271 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.979 -0.542 9.808 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.666 -0.487 8.649 1.00 0.00 H new ATOM 0 HD1 TYR A 15 1.714 -2.121 8.953 1.00 0.00 H new ATOM 0 HD2 TYR A 15 4.637 -1.453 11.978 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.184 -3.052 10.633 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.112 -2.386 13.661 1.00 0.00 H new ATOM 0 HH TYR A 15 1.129 -3.268 14.071 1.00 0.00 H new ATOM 205 N LYS A 16 4.838 -2.125 6.046 1.00 0.00 N ATOM 206 CA LYS A 16 5.257 -1.700 4.724 1.00 0.00 C ATOM 207 C LYS A 16 4.384 -0.557 4.227 1.00 0.00 C ATOM 208 O LYS A 16 3.162 -0.588 4.376 1.00 0.00 O ATOM 209 CB LYS A 16 5.203 -2.875 3.747 1.00 0.00 C ATOM 210 CG LYS A 16 6.424 -3.778 3.808 1.00 0.00 C ATOM 211 CD LYS A 16 6.033 -5.223 4.071 1.00 0.00 C ATOM 212 CE LYS A 16 6.221 -5.596 5.534 1.00 0.00 C ATOM 213 NZ LYS A 16 7.401 -6.475 5.736 1.00 0.00 N ATOM 0 H LYS A 16 4.106 -2.835 6.051 1.00 0.00 H new ATOM 0 HA LYS A 16 6.286 -1.345 4.786 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.313 -3.468 3.955 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.098 -2.488 2.733 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.973 -3.713 2.869 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.095 -3.432 4.594 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.992 -5.377 3.787 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.635 -5.883 3.446 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.338 -4.689 6.127 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.326 -6.101 5.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.027 -6.056 6.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.085 -7.412 6.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.919 -6.573 4.839 1.00 0.00 H new ATOM 227 N PRO A 17 5.007 0.473 3.641 1.00 0.00 N ATOM 228 CA PRO A 17 4.288 1.608 3.079 1.00 0.00 C ATOM 229 C PRO A 17 3.713 1.278 1.705 1.00 0.00 C ATOM 230 O PRO A 17 4.427 1.254 0.701 1.00 0.00 O ATOM 231 CB PRO A 17 5.360 2.692 2.983 1.00 0.00 C ATOM 232 CG PRO A 17 6.652 1.959 2.843 1.00 0.00 C ATOM 233 CD PRO A 17 6.467 0.610 3.492 1.00 0.00 C ATOM 0 HA PRO A 17 3.432 1.907 3.683 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.184 3.345 2.128 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.361 3.324 3.871 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.920 1.848 1.792 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.462 2.510 3.322 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.880 -0.188 2.875 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.971 0.561 4.457 1.00 0.00 H new ATOM 241 N TYR A 18 2.424 1.004 1.677 1.00 0.00 N ATOM 242 CA TYR A 18 1.761 0.597 0.455 1.00 0.00 C ATOM 243 C TYR A 18 0.988 1.753 -0.158 1.00 0.00 C ATOM 244 O TYR A 18 0.237 2.450 0.526 1.00 0.00 O ATOM 245 CB TYR A 18 0.813 -0.566 0.736 1.00 0.00 C ATOM 246 CG TYR A 18 1.515 -1.882 0.981 1.00 0.00 C ATOM 247 CD1 TYR A 18 2.310 -2.462 0.000 1.00 0.00 C ATOM 248 CD2 TYR A 18 1.381 -2.545 2.193 1.00 0.00 C ATOM 249 CE1 TYR A 18 2.945 -3.668 0.219 1.00 0.00 C ATOM 250 CE2 TYR A 18 2.014 -3.751 2.420 1.00 0.00 C ATOM 251 CZ TYR A 18 2.797 -4.307 1.430 1.00 0.00 C ATOM 252 OH TYR A 18 3.426 -5.507 1.651 1.00 0.00 O ATOM 0 H TYR A 18 1.812 1.056 2.492 1.00 0.00 H new ATOM 0 HA TYR A 18 2.525 0.279 -0.255 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.203 -0.323 1.606 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.133 -0.680 -0.108 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.433 -1.961 -0.949 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.771 -2.110 2.971 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.555 -4.108 -0.556 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.897 -4.256 3.367 1.00 0.00 H new ATOM 0 HH TYR A 18 3.219 -5.823 2.555 1.00 0.00 H new ATOM 262 N CYS A 19 1.176 1.952 -1.447 1.00 0.00 N ATOM 263 CA CYS A 19 0.431 2.952 -2.184 1.00 0.00 C ATOM 264 C CYS A 19 -0.955 2.412 -2.519 1.00 0.00 C ATOM 265 O CYS A 19 -1.125 1.674 -3.488 1.00 0.00 O ATOM 266 CB CYS A 19 1.183 3.319 -3.461 1.00 0.00 C ATOM 267 SG CYS A 19 2.999 3.319 -3.276 1.00 0.00 S ATOM 0 H CYS A 19 1.846 1.428 -2.010 1.00 0.00 H new ATOM 0 HA CYS A 19 0.322 3.849 -1.574 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.908 2.616 -4.248 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.861 4.307 -3.789 1.00 0.00 H new ATOM 272 N CYS A 20 -1.936 2.768 -1.705 1.00 0.00 N ATOM 273 CA CYS A 20 -3.272 2.215 -1.838 1.00 0.00 C ATOM 274 C CYS A 20 -4.233 3.206 -2.472 1.00 0.00 C ATOM 275 O CYS A 20 -4.496 4.277 -1.927 1.00 0.00 O ATOM 276 CB CYS A 20 -3.805 1.784 -0.474 1.00 0.00 C ATOM 277 SG CYS A 20 -4.194 0.009 -0.370 1.00 0.00 S ATOM 0 H CYS A 20 -1.831 3.439 -0.944 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.201 1.347 -2.494 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.067 2.031 0.289 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.703 2.358 -0.247 1.00 0.00 H new ATOM 282 N GLN A 21 -4.752 2.841 -3.633 1.00 0.00 N ATOM 283 CA GLN A 21 -5.758 3.644 -4.307 1.00 0.00 C ATOM 284 C GLN A 21 -7.124 3.355 -3.697 1.00 0.00 C ATOM 285 O GLN A 21 -7.615 2.227 -3.763 1.00 0.00 O ATOM 286 CB GLN A 21 -5.780 3.351 -5.813 1.00 0.00 C ATOM 287 CG GLN A 21 -4.522 2.670 -6.331 1.00 0.00 C ATOM 288 CD GLN A 21 -3.349 3.622 -6.469 1.00 0.00 C ATOM 289 OE1 GLN A 21 -3.505 4.764 -6.904 1.00 0.00 O ATOM 290 NE2 GLN A 21 -2.165 3.162 -6.096 1.00 0.00 N ATOM 0 H GLN A 21 -4.491 1.989 -4.130 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.511 4.697 -4.175 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.640 2.720 -6.037 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.922 4.287 -6.353 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.249 1.860 -5.654 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.733 2.218 -7.300 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.077 2.210 -5.741 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.341 3.760 -6.164 1.00 0.00 H new ATOM 299 N SER A 22 -7.722 4.365 -3.085 1.00 0.00 N ATOM 300 CA SER A 22 -9.004 4.203 -2.423 1.00 0.00 C ATOM 301 C SER A 22 -10.141 4.227 -3.441 1.00 0.00 C ATOM 302 O SER A 22 -10.050 4.890 -4.476 1.00 0.00 O ATOM 303 CB SER A 22 -9.185 5.310 -1.386 1.00 0.00 C ATOM 304 OG SER A 22 -8.049 6.170 -1.354 1.00 0.00 O ATOM 0 H SER A 22 -7.337 5.308 -3.034 1.00 0.00 H new ATOM 0 HA SER A 22 -9.026 3.237 -1.919 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.078 5.890 -1.620 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.340 4.869 -0.401 1.00 0.00 H new ATOM 0 HG SER A 22 -8.189 6.871 -0.684 1.00 0.00 H new ATOM 310 N MET A 23 -11.201 3.487 -3.154 1.00 0.00 N ATOM 311 CA MET A 23 -12.332 3.390 -4.061 1.00 0.00 C ATOM 312 C MET A 23 -13.568 4.040 -3.451 1.00 0.00 C ATOM 313 O MET A 23 -13.459 4.941 -2.620 1.00 0.00 O ATOM 314 CB MET A 23 -12.618 1.923 -4.394 1.00 0.00 C ATOM 315 CG MET A 23 -11.619 1.316 -5.360 1.00 0.00 C ATOM 316 SD MET A 23 -11.146 -0.364 -4.911 1.00 0.00 S ATOM 317 CE MET A 23 -9.469 -0.411 -5.541 1.00 0.00 C ATOM 0 H MET A 23 -11.301 2.943 -2.297 1.00 0.00 H new ATOM 0 HA MET A 23 -12.082 3.919 -4.980 1.00 0.00 H new ATOM 0 HB2 MET A 23 -12.618 1.343 -3.471 1.00 0.00 H new ATOM 0 HB3 MET A 23 -13.618 1.844 -4.820 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.046 1.313 -6.363 1.00 0.00 H new ATOM 0 HG3 MET A 23 -10.728 1.942 -5.395 1.00 0.00 H new ATOM 0 HE1 MET A 23 -9.033 -1.390 -5.342 1.00 0.00 H new ATOM 0 HE2 MET A 23 -9.479 -0.230 -6.616 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.874 0.359 -5.049 1.00 0.00 H new ATOM 327 N SER A 24 -14.737 3.577 -3.865 1.00 0.00 N ATOM 328 CA SER A 24 -15.995 4.108 -3.371 1.00 0.00 C ATOM 329 C SER A 24 -16.423 3.365 -2.103 1.00 0.00 C ATOM 330 O SER A 24 -15.575 2.978 -1.296 1.00 0.00 O ATOM 331 CB SER A 24 -17.052 3.984 -4.464 1.00 0.00 C ATOM 332 OG SER A 24 -16.475 3.494 -5.667 1.00 0.00 O ATOM 0 H SER A 24 -14.839 2.827 -4.549 1.00 0.00 H new ATOM 0 HA SER A 24 -15.875 5.160 -3.113 1.00 0.00 H new ATOM 0 HB2 SER A 24 -17.845 3.313 -4.135 1.00 0.00 H new ATOM 0 HB3 SER A 24 -17.511 4.956 -4.645 1.00 0.00 H new ATOM 0 HG SER A 24 -17.168 3.420 -6.356 1.00 0.00 H new ATOM 338 N GLY A 25 -17.726 3.161 -1.928 1.00 0.00 N ATOM 339 CA GLY A 25 -18.221 2.437 -0.771 1.00 0.00 C ATOM 340 C GLY A 25 -18.030 0.937 -0.899 1.00 0.00 C ATOM 341 O GLY A 25 -18.996 0.176 -0.899 1.00 0.00 O ATOM 0 H GLY A 25 -18.450 3.486 -2.570 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.706 2.791 0.122 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -19.280 2.655 -0.636 1.00 0.00 H new ATOM 345 N SER A 26 -16.782 0.517 -1.003 1.00 0.00 N ATOM 346 CA SER A 26 -16.449 -0.889 -1.142 1.00 0.00 C ATOM 347 C SER A 26 -15.461 -1.316 -0.065 1.00 0.00 C ATOM 348 O SER A 26 -14.610 -0.528 0.354 1.00 0.00 O ATOM 349 CB SER A 26 -15.849 -1.142 -2.523 1.00 0.00 C ATOM 350 OG SER A 26 -16.238 -0.134 -3.441 1.00 0.00 O ATOM 0 H SER A 26 -15.973 1.139 -0.994 1.00 0.00 H new ATOM 0 HA SER A 26 -17.361 -1.475 -1.028 1.00 0.00 H new ATOM 0 HB2 SER A 26 -14.762 -1.172 -2.451 1.00 0.00 H new ATOM 0 HB3 SER A 26 -16.171 -2.116 -2.890 1.00 0.00 H new ATOM 0 HG SER A 26 -15.839 -0.318 -4.317 1.00 0.00 H new ATOM 356 N ALA A 27 -15.562 -2.565 0.370 1.00 0.00 N ATOM 357 CA ALA A 27 -14.642 -3.110 1.357 1.00 0.00 C ATOM 358 C ALA A 27 -13.400 -3.663 0.664 1.00 0.00 C ATOM 359 O ALA A 27 -12.906 -4.741 0.999 1.00 0.00 O ATOM 360 CB ALA A 27 -15.325 -4.192 2.180 1.00 0.00 C ATOM 0 H ALA A 27 -16.275 -3.221 0.053 1.00 0.00 H new ATOM 0 HA ALA A 27 -14.337 -2.311 2.033 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -14.623 -4.589 2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -16.187 -3.768 2.695 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -15.655 -4.996 1.522 1.00 0.00 H new ATOM 366 N SER A 28 -12.908 -2.913 -0.310 1.00 0.00 N ATOM 367 CA SER A 28 -11.752 -3.314 -1.087 1.00 0.00 C ATOM 368 C SER A 28 -10.780 -2.150 -1.216 1.00 0.00 C ATOM 369 O SER A 28 -11.192 -0.987 -1.237 1.00 0.00 O ATOM 370 CB SER A 28 -12.187 -3.784 -2.479 1.00 0.00 C ATOM 371 OG SER A 28 -13.413 -4.495 -2.419 1.00 0.00 O ATOM 0 H SER A 28 -13.300 -2.011 -0.581 1.00 0.00 H new ATOM 0 HA SER A 28 -11.255 -4.138 -0.574 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.294 -2.924 -3.139 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.414 -4.421 -2.909 1.00 0.00 H new ATOM 0 HG SER A 28 -13.669 -4.782 -3.320 1.00 0.00 H new ATOM 377 N LEU A 29 -9.500 -2.466 -1.291 1.00 0.00 N ATOM 378 CA LEU A 29 -8.469 -1.461 -1.460 1.00 0.00 C ATOM 379 C LEU A 29 -7.604 -1.815 -2.665 1.00 0.00 C ATOM 380 O LEU A 29 -7.876 -2.793 -3.363 1.00 0.00 O ATOM 381 CB LEU A 29 -7.616 -1.356 -0.191 1.00 0.00 C ATOM 382 CG LEU A 29 -7.608 0.018 0.490 1.00 0.00 C ATOM 383 CD1 LEU A 29 -9.024 0.532 0.698 1.00 0.00 C ATOM 384 CD2 LEU A 29 -6.869 -0.054 1.817 1.00 0.00 C ATOM 0 H LEU A 29 -9.148 -3.422 -1.237 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.936 -0.492 -1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.972 -2.095 0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.589 -1.623 -0.442 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.087 0.718 -0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.989 1.508 1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.523 0.623 -0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.576 -0.166 1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.872 0.929 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.364 -0.772 2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.840 -0.371 1.644 1.00 0.00 H new ATOM 396 N GLY A 30 -6.565 -1.035 -2.900 1.00 0.00 N ATOM 397 CA GLY A 30 -5.726 -1.250 -4.059 1.00 0.00 C ATOM 398 C GLY A 30 -4.305 -0.833 -3.784 1.00 0.00 C ATOM 399 O GLY A 30 -3.875 0.242 -4.193 1.00 0.00 O ATOM 0 H GLY A 30 -6.285 -0.253 -2.307 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.751 -2.303 -4.340 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.117 -0.685 -4.905 1.00 0.00 H new ATOM 403 N CYS A 31 -3.582 -1.684 -3.082 1.00 0.00 N ATOM 404 CA CYS A 31 -2.252 -1.344 -2.610 1.00 0.00 C ATOM 405 C CYS A 31 -1.170 -1.833 -3.566 1.00 0.00 C ATOM 406 O CYS A 31 -1.294 -2.886 -4.193 1.00 0.00 O ATOM 407 CB CYS A 31 -2.024 -1.946 -1.222 1.00 0.00 C ATOM 408 SG CYS A 31 -2.429 -0.833 0.164 1.00 0.00 S ATOM 0 H CYS A 31 -3.894 -2.620 -2.825 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.186 -0.257 -2.558 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.623 -2.852 -1.130 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.979 -2.245 -1.137 1.00 0.00 H new ATOM 413 N VAL A 32 -0.124 -1.039 -3.697 1.00 0.00 N ATOM 414 CA VAL A 32 1.071 -1.448 -4.411 1.00 0.00 C ATOM 415 C VAL A 32 2.283 -1.154 -3.543 1.00 0.00 C ATOM 416 O VAL A 32 2.211 -0.305 -2.653 1.00 0.00 O ATOM 417 CB VAL A 32 1.228 -0.732 -5.773 1.00 0.00 C ATOM 418 CG1 VAL A 32 1.663 -1.721 -6.837 1.00 0.00 C ATOM 419 CG2 VAL A 32 -0.062 -0.039 -6.194 1.00 0.00 C ATOM 0 H VAL A 32 -0.078 -0.095 -3.313 1.00 0.00 H new ATOM 0 HA VAL A 32 0.985 -2.515 -4.619 1.00 0.00 H new ATOM 0 HB VAL A 32 1.995 0.034 -5.660 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.770 -1.205 -7.791 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.618 -2.163 -6.554 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.914 -2.507 -6.932 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.086 0.453 -7.155 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.859 -0.777 -6.283 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.337 0.703 -5.445 1.00 0.00 H new ATOM 429 N VAL A 33 3.382 -1.855 -3.781 1.00 0.00 N ATOM 430 CA VAL A 33 4.580 -1.677 -2.973 1.00 0.00 C ATOM 431 C VAL A 33 5.157 -0.273 -3.170 1.00 0.00 C ATOM 432 O VAL A 33 5.219 0.228 -4.296 1.00 0.00 O ATOM 433 CB VAL A 33 5.653 -2.751 -3.289 1.00 0.00 C ATOM 434 CG1 VAL A 33 6.121 -2.662 -4.735 1.00 0.00 C ATOM 435 CG2 VAL A 33 6.832 -2.631 -2.332 1.00 0.00 C ATOM 0 H VAL A 33 3.469 -2.549 -4.523 1.00 0.00 H new ATOM 0 HA VAL A 33 4.291 -1.797 -1.929 1.00 0.00 H new ATOM 0 HB VAL A 33 5.194 -3.730 -3.150 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.873 -3.429 -4.922 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.273 -2.815 -5.402 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.553 -1.678 -4.918 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.573 -3.393 -2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.282 -1.643 -2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.485 -2.770 -1.308 1.00 0.00 H new ATOM 445 N GLY A 34 5.535 0.364 -2.063 1.00 0.00 N ATOM 446 CA GLY A 34 6.104 1.695 -2.114 1.00 0.00 C ATOM 447 C GLY A 34 7.314 1.776 -3.021 1.00 0.00 C ATOM 448 O GLY A 34 8.231 0.962 -2.919 1.00 0.00 O ATOM 0 H GLY A 34 5.455 -0.026 -1.124 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.346 2.397 -2.462 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.387 2.004 -1.108 1.00 0.00 H new ATOM 452 N VAL A 35 7.306 2.761 -3.908 1.00 0.00 N ATOM 453 CA VAL A 35 8.378 2.930 -4.883 1.00 0.00 C ATOM 454 C VAL A 35 9.673 3.379 -4.211 1.00 0.00 C ATOM 455 O VAL A 35 10.755 3.215 -4.775 1.00 0.00 O ATOM 456 CB VAL A 35 8.001 3.950 -5.982 1.00 0.00 C ATOM 457 CG1 VAL A 35 8.515 3.488 -7.335 1.00 0.00 C ATOM 458 CG2 VAL A 35 6.494 4.178 -6.030 1.00 0.00 C ATOM 0 H VAL A 35 6.566 3.459 -3.974 1.00 0.00 H new ATOM 0 HA VAL A 35 8.530 1.955 -5.346 1.00 0.00 H new ATOM 0 HB VAL A 35 8.475 4.900 -5.736 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.241 4.218 -8.097 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.600 3.392 -7.298 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.073 2.523 -7.582 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.260 4.900 -6.812 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.990 3.235 -6.243 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.153 4.562 -5.068 1.00 0.00 H new ATOM 468 N ILE A 36 9.547 3.935 -3.005 1.00 0.00 N ATOM 469 CA ILE A 36 10.695 4.414 -2.231 1.00 0.00 C ATOM 470 C ILE A 36 11.340 5.630 -2.896 1.00 0.00 C ATOM 471 O ILE A 36 12.037 5.511 -3.904 1.00 0.00 O ATOM 472 CB ILE A 36 11.759 3.308 -2.027 1.00 0.00 C ATOM 473 CG1 ILE A 36 11.155 2.110 -1.288 1.00 0.00 C ATOM 474 CG2 ILE A 36 12.965 3.850 -1.269 1.00 0.00 C ATOM 475 CD1 ILE A 36 10.603 2.440 0.085 1.00 0.00 C ATOM 0 H ILE A 36 8.650 4.066 -2.538 1.00 0.00 H new ATOM 0 HA ILE A 36 10.312 4.703 -1.252 1.00 0.00 H new ATOM 0 HB ILE A 36 12.095 2.975 -3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 36 10.356 1.688 -1.897 1.00 0.00 H new ATOM 0 HG13 ILE A 36 11.918 1.339 -1.185 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.699 3.055 -1.137 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.413 4.668 -1.834 1.00 0.00 H new ATOM 0 HG23 ILE A 36 12.647 4.215 -0.293 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.195 1.537 0.539 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.402 2.833 0.714 1.00 0.00 H new ATOM 0 HD13 ILE A 36 9.815 3.187 -0.010 1.00 0.00 H new ATOM 487 N GLY A 37 11.091 6.801 -2.334 1.00 0.00 N ATOM 488 CA GLY A 37 11.663 8.017 -2.873 1.00 0.00 C ATOM 489 C GLY A 37 10.859 8.552 -4.036 1.00 0.00 C ATOM 490 O GLY A 37 11.375 9.288 -4.876 1.00 0.00 O ATOM 0 H GLY A 37 10.502 6.932 -1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.714 8.773 -2.089 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.686 7.824 -3.197 1.00 0.00 H new ATOM 494 N SER A 38 9.591 8.175 -4.095 1.00 0.00 N ATOM 495 CA SER A 38 8.720 8.580 -5.186 1.00 0.00 C ATOM 496 C SER A 38 7.283 8.711 -4.698 1.00 0.00 C ATOM 497 O SER A 38 6.973 8.378 -3.551 1.00 0.00 O ATOM 498 CB SER A 38 8.799 7.563 -6.328 1.00 0.00 C ATOM 499 OG SER A 38 10.140 7.164 -6.565 1.00 0.00 O ATOM 0 H SER A 38 9.141 7.585 -3.395 1.00 0.00 H new ATOM 0 HA SER A 38 9.052 9.551 -5.554 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.194 6.690 -6.084 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.380 7.997 -7.236 1.00 0.00 H new ATOM 0 HG SER A 38 10.163 6.513 -7.298 1.00 0.00 H new ATOM 505 N GLN A 39 6.410 9.203 -5.564 1.00 0.00 N ATOM 506 CA GLN A 39 5.011 9.396 -5.210 1.00 0.00 C ATOM 507 C GLN A 39 4.252 8.078 -5.304 1.00 0.00 C ATOM 508 O GLN A 39 4.462 7.297 -6.230 1.00 0.00 O ATOM 509 CB GLN A 39 4.352 10.437 -6.122 1.00 0.00 C ATOM 510 CG GLN A 39 5.314 11.470 -6.688 1.00 0.00 C ATOM 511 CD GLN A 39 5.891 11.051 -8.026 1.00 0.00 C ATOM 512 OE1 GLN A 39 5.209 10.440 -8.846 1.00 0.00 O ATOM 513 NE2 GLN A 39 7.156 11.356 -8.246 1.00 0.00 N ATOM 0 H GLN A 39 6.646 9.476 -6.518 1.00 0.00 H new ATOM 0 HA GLN A 39 4.973 9.759 -4.183 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.863 9.921 -6.949 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.572 10.952 -5.562 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.795 12.422 -6.801 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.127 11.632 -5.980 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.688 11.864 -7.540 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.601 11.083 -9.122 1.00 0.00 H new ATOM 522 N CYS A 40 3.380 7.833 -4.338 1.00 0.00 N ATOM 523 CA CYS A 40 2.579 6.616 -4.314 1.00 0.00 C ATOM 524 C CYS A 40 1.293 6.796 -5.117 1.00 0.00 C ATOM 525 O CYS A 40 0.607 5.827 -5.442 1.00 0.00 O ATOM 526 CB CYS A 40 2.251 6.232 -2.872 1.00 0.00 C ATOM 527 SG CYS A 40 3.375 4.981 -2.170 1.00 0.00 S ATOM 0 H CYS A 40 3.208 8.464 -3.555 1.00 0.00 H new ATOM 0 HA CYS A 40 3.158 5.815 -4.772 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.285 7.127 -2.251 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.230 5.854 -2.830 1.00 0.00 H new ATOM 532 N GLY A 41 0.961 8.049 -5.409 1.00 0.00 N ATOM 533 CA GLY A 41 -0.191 8.346 -6.242 1.00 0.00 C ATOM 534 C GLY A 41 -1.504 8.347 -5.479 1.00 0.00 C ATOM 535 O GLY A 41 -2.518 8.822 -5.986 1.00 0.00 O ATOM 0 H GLY A 41 1.472 8.869 -5.082 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.050 9.321 -6.709 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.247 7.612 -7.046 1.00 0.00 H new ATOM 539 N ALA A 42 -1.489 7.816 -4.264 1.00 0.00 N ATOM 540 CA ALA A 42 -2.692 7.739 -3.447 1.00 0.00 C ATOM 541 C ALA A 42 -2.334 7.568 -1.974 1.00 0.00 C ATOM 542 O ALA A 42 -1.193 7.817 -1.576 1.00 0.00 O ATOM 543 CB ALA A 42 -3.576 6.594 -3.916 1.00 0.00 C ATOM 0 H ALA A 42 -0.654 7.431 -3.822 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.243 8.673 -3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.472 6.548 -3.296 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.862 6.757 -4.955 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.029 5.655 -3.833 1.00 0.00 H new ATOM 549 N SER A 43 -3.307 7.125 -1.185 1.00 0.00 N ATOM 550 CA SER A 43 -3.143 6.969 0.252 1.00 0.00 C ATOM 551 C SER A 43 -2.007 6.007 0.593 1.00 0.00 C ATOM 552 O SER A 43 -1.958 4.877 0.095 1.00 0.00 O ATOM 553 CB SER A 43 -4.456 6.473 0.860 1.00 0.00 C ATOM 554 OG SER A 43 -5.562 6.869 0.061 1.00 0.00 O ATOM 0 H SER A 43 -4.232 6.864 -1.526 1.00 0.00 H new ATOM 0 HA SER A 43 -2.882 7.940 0.673 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.435 5.387 0.947 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.569 6.871 1.868 1.00 0.00 H new ATOM 0 HG SER A 43 -6.140 6.095 -0.104 1.00 0.00 H new ATOM 560 N VAL A 44 -1.090 6.469 1.429 1.00 0.00 N ATOM 561 CA VAL A 44 0.023 5.648 1.877 1.00 0.00 C ATOM 562 C VAL A 44 -0.382 4.842 3.101 1.00 0.00 C ATOM 563 O VAL A 44 -0.447 5.370 4.215 1.00 0.00 O ATOM 564 CB VAL A 44 1.268 6.498 2.216 1.00 0.00 C ATOM 565 CG1 VAL A 44 2.497 5.610 2.356 1.00 0.00 C ATOM 566 CG2 VAL A 44 1.497 7.568 1.158 1.00 0.00 C ATOM 0 H VAL A 44 -1.096 7.414 1.813 1.00 0.00 H new ATOM 0 HA VAL A 44 0.282 4.978 1.057 1.00 0.00 H new ATOM 0 HB VAL A 44 1.092 6.997 3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.365 6.225 2.595 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.334 4.886 3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.673 5.082 1.419 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.379 8.154 1.418 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.649 7.094 0.188 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.627 8.223 1.109 1.00 0.00 H new ATOM 576 N LYS A 45 -0.664 3.569 2.887 1.00 0.00 N ATOM 577 CA LYS A 45 -1.128 2.701 3.955 1.00 0.00 C ATOM 578 C LYS A 45 0.041 1.998 4.630 1.00 0.00 C ATOM 579 O LYS A 45 0.880 1.391 3.964 1.00 0.00 O ATOM 580 CB LYS A 45 -2.117 1.660 3.416 1.00 0.00 C ATOM 581 CG LYS A 45 -3.463 2.235 3.004 1.00 0.00 C ATOM 582 CD LYS A 45 -4.100 3.046 4.120 1.00 0.00 C ATOM 583 CE LYS A 45 -4.900 2.171 5.074 1.00 0.00 C ATOM 584 NZ LYS A 45 -5.540 2.976 6.148 1.00 0.00 N ATOM 0 H LYS A 45 -0.579 3.112 1.979 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.635 3.323 4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.669 1.161 2.557 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.278 0.899 4.179 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.334 2.866 2.125 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.132 1.423 2.718 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.323 3.572 4.675 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.753 3.805 3.690 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.666 1.631 4.518 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.244 1.424 5.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.535 2.436 7.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.012 3.862 6.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.521 3.194 5.881 1.00 0.00 H new ATOM 598 N CYS A 46 0.087 2.085 5.947 1.00 0.00 N ATOM 599 CA CYS A 46 1.084 1.366 6.722 1.00 0.00 C ATOM 600 C CYS A 46 0.503 0.027 7.144 1.00 0.00 C ATOM 601 O CYS A 46 -0.026 -0.121 8.249 1.00 0.00 O ATOM 602 CB CYS A 46 1.513 2.177 7.950 1.00 0.00 C ATOM 603 SG CYS A 46 2.495 3.662 7.559 1.00 0.00 S ATOM 0 H CYS A 46 -0.556 2.648 6.504 1.00 0.00 H new ATOM 0 HA CYS A 46 1.971 1.206 6.109 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.622 2.479 8.501 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.094 1.534 8.611 1.00 0.00 H new ATOM 608 N CYS A 47 0.580 -0.941 6.250 1.00 0.00 N ATOM 609 CA CYS A 47 -0.087 -2.212 6.454 1.00 0.00 C ATOM 610 C CYS A 47 0.902 -3.324 6.758 1.00 0.00 C ATOM 611 O CYS A 47 2.046 -3.306 6.296 1.00 0.00 O ATOM 612 CB CYS A 47 -0.917 -2.573 5.220 1.00 0.00 C ATOM 613 SG CYS A 47 -2.479 -3.432 5.605 1.00 0.00 S ATOM 0 H CYS A 47 1.099 -0.871 5.375 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.744 -2.106 7.317 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -1.142 -1.661 4.666 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.318 -3.205 4.564 1.00 0.00 H new ATOM 618 N LYS A 48 0.459 -4.282 7.558 1.00 0.00 N ATOM 619 CA LYS A 48 1.245 -5.470 7.838 1.00 0.00 C ATOM 620 C LYS A 48 0.817 -6.580 6.900 1.00 0.00 C ATOM 621 O LYS A 48 1.647 -7.223 6.250 1.00 0.00 O ATOM 622 CB LYS A 48 1.042 -5.918 9.286 1.00 0.00 C ATOM 623 CG LYS A 48 2.068 -6.939 9.755 1.00 0.00 C ATOM 624 CD LYS A 48 1.429 -8.293 10.028 1.00 0.00 C ATOM 625 CE LYS A 48 2.058 -9.393 9.183 1.00 0.00 C ATOM 626 NZ LYS A 48 1.668 -10.749 9.652 1.00 0.00 N ATOM 0 H LYS A 48 -0.447 -4.257 8.027 1.00 0.00 H new ATOM 0 HA LYS A 48 2.300 -5.241 7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.086 -5.045 9.937 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.044 -6.344 9.390 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.845 -7.049 8.998 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.555 -6.577 10.661 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.536 -8.539 11.084 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.360 -8.240 9.819 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.756 -9.269 8.143 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.143 -9.297 9.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.467 -11.185 10.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.853 -10.673 10.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.411 -11.338 8.835 1.00 0.00 H new ATOM 640 N ASP A 49 -0.499 -6.770 6.832 1.00 0.00 N ATOM 641 CA ASP A 49 -1.107 -7.825 6.032 1.00 0.00 C ATOM 642 C ASP A 49 -0.510 -9.177 6.410 1.00 0.00 C ATOM 643 O ASP A 49 -0.712 -9.662 7.523 1.00 0.00 O ATOM 644 CB ASP A 49 -0.926 -7.542 4.533 1.00 0.00 C ATOM 645 CG ASP A 49 -1.619 -8.570 3.656 1.00 0.00 C ATOM 646 OD1 ASP A 49 -2.864 -8.637 3.681 1.00 0.00 O ATOM 647 OD2 ASP A 49 -0.909 -9.315 2.946 1.00 0.00 O ATOM 0 H ASP A 49 -1.174 -6.193 7.333 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.177 -7.851 6.239 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.319 -6.551 4.304 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.138 -7.526 4.296 1.00 0.00 H new ATOM 652 N ASP A 50 0.251 -9.749 5.496 1.00 0.00 N ATOM 653 CA ASP A 50 0.924 -11.017 5.710 1.00 0.00 C ATOM 654 C ASP A 50 1.864 -11.271 4.549 1.00 0.00 C ATOM 655 O ASP A 50 2.941 -11.843 4.720 1.00 0.00 O ATOM 656 CB ASP A 50 -0.081 -12.163 5.843 1.00 0.00 C ATOM 657 CG ASP A 50 0.331 -13.158 6.905 1.00 0.00 C ATOM 658 OD1 ASP A 50 0.737 -12.732 8.009 1.00 0.00 O ATOM 659 OD2 ASP A 50 0.250 -14.376 6.645 1.00 0.00 O ATOM 0 H ASP A 50 0.421 -9.343 4.576 1.00 0.00 H new ATOM 0 HA ASP A 50 1.488 -10.969 6.642 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.063 -11.758 6.088 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.177 -12.674 4.885 1.00 0.00 H new ATOM 664 N VAL A 51 1.435 -10.817 3.368 1.00 0.00 N ATOM 665 CA VAL A 51 2.257 -10.829 2.160 1.00 0.00 C ATOM 666 C VAL A 51 2.502 -12.246 1.648 1.00 0.00 C ATOM 667 O VAL A 51 3.133 -13.068 2.313 1.00 0.00 O ATOM 668 CB VAL A 51 3.612 -10.112 2.378 1.00 0.00 C ATOM 669 CG1 VAL A 51 4.423 -10.087 1.092 1.00 0.00 C ATOM 670 CG2 VAL A 51 3.391 -8.696 2.900 1.00 0.00 C ATOM 0 H VAL A 51 0.502 -10.429 3.225 1.00 0.00 H new ATOM 0 HA VAL A 51 1.692 -10.283 1.405 1.00 0.00 H new ATOM 0 HB VAL A 51 4.176 -10.671 3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.371 -9.578 1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.615 -11.108 0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.865 -9.556 0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.354 -8.208 3.047 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.804 -8.129 2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.857 -8.737 3.849 1.00 0.00 H new ATOM 680 N THR A 52 1.994 -12.529 0.459 1.00 0.00 N ATOM 681 CA THR A 52 2.258 -13.799 -0.192 1.00 0.00 C ATOM 682 C THR A 52 3.644 -13.758 -0.828 1.00 0.00 C ATOM 683 O THR A 52 4.131 -12.687 -1.198 1.00 0.00 O ATOM 684 CB THR A 52 1.187 -14.124 -1.263 1.00 0.00 C ATOM 685 OG1 THR A 52 1.455 -15.394 -1.869 1.00 0.00 O ATOM 686 CG2 THR A 52 1.134 -13.047 -2.338 1.00 0.00 C ATOM 0 H THR A 52 1.397 -11.896 -0.073 1.00 0.00 H new ATOM 0 HA THR A 52 2.218 -14.587 0.560 1.00 0.00 H new ATOM 0 HB THR A 52 0.220 -14.159 -0.761 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.769 -15.586 -2.542 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.373 -13.305 -3.074 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.887 -12.089 -1.881 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.104 -12.975 -2.829 1.00 0.00 H new ATOM 694 N ASN A 53 4.281 -14.912 -0.949 1.00 0.00 N ATOM 695 CA ASN A 53 5.648 -14.973 -1.452 1.00 0.00 C ATOM 696 C ASN A 53 5.676 -14.868 -2.975 1.00 0.00 C ATOM 697 O ASN A 53 6.735 -14.712 -3.581 1.00 0.00 O ATOM 698 CB ASN A 53 6.338 -16.258 -0.965 1.00 0.00 C ATOM 699 CG ASN A 53 6.437 -17.348 -2.021 1.00 0.00 C ATOM 700 OD1 ASN A 53 5.431 -17.792 -2.577 1.00 0.00 O ATOM 701 ND2 ASN A 53 7.654 -17.791 -2.294 1.00 0.00 N ATOM 0 H ASN A 53 3.877 -15.817 -0.707 1.00 0.00 H new ATOM 0 HA ASN A 53 6.201 -14.121 -1.057 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.341 -16.010 -0.619 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.792 -16.648 -0.106 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.785 -18.527 -2.988 1.00 0.00 H new ATOM 0 HD22 ASN A 53 8.461 -17.396 -1.811 1.00 0.00 H new ATOM 708 N THR A 54 4.505 -14.935 -3.585 1.00 0.00 N ATOM 709 CA THR A 54 4.385 -14.767 -5.020 1.00 0.00 C ATOM 710 C THR A 54 4.212 -13.289 -5.370 1.00 0.00 C ATOM 711 O THR A 54 3.271 -12.641 -4.908 1.00 0.00 O ATOM 712 CB THR A 54 3.197 -15.576 -5.564 1.00 0.00 C ATOM 713 OG1 THR A 54 2.995 -16.738 -4.747 1.00 0.00 O ATOM 714 CG2 THR A 54 3.444 -16.001 -7.004 1.00 0.00 C ATOM 0 H THR A 54 3.621 -15.105 -3.105 1.00 0.00 H new ATOM 0 HA THR A 54 5.300 -15.137 -5.483 1.00 0.00 H new ATOM 0 HB THR A 54 2.308 -14.946 -5.538 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.236 -17.253 -5.093 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.589 -16.572 -7.367 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.580 -15.116 -7.626 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.340 -16.619 -7.052 1.00 0.00 H new ATOM 722 N GLY A 55 5.133 -12.761 -6.167 1.00 0.00 N ATOM 723 CA GLY A 55 5.094 -11.355 -6.526 1.00 0.00 C ATOM 724 C GLY A 55 4.051 -11.047 -7.581 1.00 0.00 C ATOM 725 O GLY A 55 3.642 -11.929 -8.339 1.00 0.00 O ATOM 0 H GLY A 55 5.909 -13.283 -6.573 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.888 -10.763 -5.634 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.075 -11.051 -6.892 1.00 0.00 H new ATOM 729 N ASN A 56 3.623 -9.793 -7.624 1.00 0.00 N ATOM 730 CA ASN A 56 2.635 -9.338 -8.594 1.00 0.00 C ATOM 731 C ASN A 56 2.712 -7.823 -8.736 1.00 0.00 C ATOM 732 O ASN A 56 3.374 -7.154 -7.938 1.00 0.00 O ATOM 733 CB ASN A 56 1.222 -9.760 -8.161 1.00 0.00 C ATOM 734 CG ASN A 56 0.302 -10.040 -9.339 1.00 0.00 C ATOM 735 OD1 ASN A 56 0.185 -9.232 -10.259 1.00 0.00 O ATOM 736 ND2 ASN A 56 -0.370 -11.181 -9.312 1.00 0.00 N ATOM 0 H ASN A 56 3.949 -9.064 -6.990 1.00 0.00 H new ATOM 0 HA ASN A 56 2.851 -9.798 -9.558 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.289 -10.652 -7.539 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.786 -8.974 -7.545 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.010 -11.414 -10.071 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.247 -11.827 -8.532 1.00 0.00 H new ATOM 743 N SER A 57 2.045 -7.287 -9.745 1.00 0.00 N ATOM 744 CA SER A 57 2.027 -5.851 -9.978 1.00 0.00 C ATOM 745 C SER A 57 1.031 -5.165 -9.047 1.00 0.00 C ATOM 746 O SER A 57 1.028 -3.944 -8.918 1.00 0.00 O ATOM 747 CB SER A 57 1.657 -5.566 -11.430 1.00 0.00 C ATOM 748 OG SER A 57 1.139 -6.731 -12.058 1.00 0.00 O ATOM 0 H SER A 57 1.505 -7.828 -10.420 1.00 0.00 H new ATOM 0 HA SER A 57 3.022 -5.456 -9.773 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.918 -4.766 -11.471 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.536 -5.216 -11.972 1.00 0.00 H new ATOM 0 HG SER A 57 0.907 -6.526 -12.988 1.00 0.00 H new ATOM 754 N PHE A 58 0.190 -5.962 -8.401 1.00 0.00 N ATOM 755 CA PHE A 58 -0.829 -5.435 -7.512 1.00 0.00 C ATOM 756 C PHE A 58 -0.911 -6.258 -6.236 1.00 0.00 C ATOM 757 O PHE A 58 -0.903 -7.490 -6.276 1.00 0.00 O ATOM 758 CB PHE A 58 -2.186 -5.438 -8.213 1.00 0.00 C ATOM 759 CG PHE A 58 -3.036 -4.241 -7.891 1.00 0.00 C ATOM 760 CD1 PHE A 58 -2.566 -2.959 -8.124 1.00 0.00 C ATOM 761 CD2 PHE A 58 -4.305 -4.400 -7.362 1.00 0.00 C ATOM 762 CE1 PHE A 58 -3.345 -1.857 -7.833 1.00 0.00 C ATOM 763 CE2 PHE A 58 -5.090 -3.303 -7.068 1.00 0.00 C ATOM 764 CZ PHE A 58 -4.610 -2.029 -7.305 1.00 0.00 C ATOM 0 H PHE A 58 0.196 -6.979 -8.479 1.00 0.00 H new ATOM 0 HA PHE A 58 -0.558 -4.412 -7.250 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.028 -5.481 -9.291 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -2.727 -6.342 -7.934 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.578 -2.820 -8.538 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.686 -5.394 -7.177 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.966 -0.863 -8.018 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.078 -3.440 -6.653 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.223 -1.169 -7.078 1.00 0.00 H new ATOM 774 N LEU A 59 -0.984 -5.571 -5.108 1.00 0.00 N ATOM 775 CA LEU A 59 -1.139 -6.223 -3.817 1.00 0.00 C ATOM 776 C LEU A 59 -2.460 -5.791 -3.193 1.00 0.00 C ATOM 777 O LEU A 59 -2.537 -4.765 -2.520 1.00 0.00 O ATOM 778 CB LEU A 59 0.028 -5.868 -2.892 1.00 0.00 C ATOM 779 CG LEU A 59 1.400 -6.347 -3.369 1.00 0.00 C ATOM 780 CD1 LEU A 59 2.400 -5.204 -3.345 1.00 0.00 C ATOM 781 CD2 LEU A 59 1.887 -7.503 -2.508 1.00 0.00 C ATOM 0 H LEU A 59 -0.938 -4.553 -5.060 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.141 -7.304 -3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.060 -4.785 -2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.166 -6.293 -1.907 1.00 0.00 H new ATOM 0 HG LEU A 59 1.306 -6.699 -4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.371 -5.563 -3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.056 -4.405 -4.002 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.492 -4.823 -2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.864 -7.832 -2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.966 -7.176 -1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.180 -8.330 -2.575 1.00 0.00 H new ATOM 793 N ILE A 60 -3.501 -6.572 -3.428 1.00 0.00 N ATOM 794 CA ILE A 60 -4.845 -6.198 -2.998 1.00 0.00 C ATOM 795 C ILE A 60 -5.060 -6.486 -1.515 1.00 0.00 C ATOM 796 O ILE A 60 -5.770 -7.420 -1.145 1.00 0.00 O ATOM 797 CB ILE A 60 -5.932 -6.923 -3.819 1.00 0.00 C ATOM 798 CG1 ILE A 60 -5.428 -7.215 -5.234 1.00 0.00 C ATOM 799 CG2 ILE A 60 -7.202 -6.084 -3.868 1.00 0.00 C ATOM 800 CD1 ILE A 60 -6.336 -8.128 -6.028 1.00 0.00 C ATOM 0 H ILE A 60 -3.445 -7.468 -3.913 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.933 -5.125 -3.168 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.160 -7.872 -3.333 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.315 -6.273 -5.771 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.438 -7.667 -5.171 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.961 -6.607 -4.450 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.570 -5.921 -2.855 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -6.985 -5.123 -4.334 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.913 -8.289 -7.020 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.430 -9.085 -5.514 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.320 -7.669 -6.123 1.00 0.00 H new ATOM 812 N ILE A 61 -4.425 -5.680 -0.678 1.00 0.00 N ATOM 813 CA ILE A 61 -4.600 -5.762 0.763 1.00 0.00 C ATOM 814 C ILE A 61 -5.836 -4.971 1.177 1.00 0.00 C ATOM 815 O ILE A 61 -6.227 -4.024 0.494 1.00 0.00 O ATOM 816 CB ILE A 61 -3.364 -5.211 1.512 1.00 0.00 C ATOM 817 CG1 ILE A 61 -2.082 -5.830 0.956 1.00 0.00 C ATOM 818 CG2 ILE A 61 -3.468 -5.481 3.004 1.00 0.00 C ATOM 819 CD1 ILE A 61 -1.082 -4.803 0.477 1.00 0.00 C ATOM 0 H ILE A 61 -3.776 -4.953 -0.978 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.723 -6.812 1.028 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.331 -4.132 1.358 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.619 -6.445 1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.336 -6.493 0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.587 -5.084 3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.361 -4.998 3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.531 -6.556 3.176 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.195 -5.309 0.095 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.528 -4.203 -0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.800 -4.155 1.307 1.00 0.00 H new ATOM 831 N ASN A 62 -6.453 -5.365 2.280 1.00 0.00 N ATOM 832 CA ASN A 62 -7.624 -4.669 2.787 1.00 0.00 C ATOM 833 C ASN A 62 -7.233 -3.759 3.942 1.00 0.00 C ATOM 834 O ASN A 62 -6.188 -3.954 4.567 1.00 0.00 O ATOM 835 CB ASN A 62 -8.689 -5.668 3.248 1.00 0.00 C ATOM 836 CG ASN A 62 -10.101 -5.154 3.031 1.00 0.00 C ATOM 837 OD1 ASN A 62 -10.328 -3.947 2.917 1.00 0.00 O ATOM 838 ND2 ASN A 62 -11.059 -6.065 2.976 1.00 0.00 N ATOM 0 H ASN A 62 -6.161 -6.165 2.842 1.00 0.00 H new ATOM 0 HA ASN A 62 -8.040 -4.065 1.981 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.560 -6.606 2.708 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -8.544 -5.886 4.306 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -12.028 -5.779 2.835 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.829 -7.054 3.075 1.00 0.00 H new ATOM 845 N ALA A 63 -8.081 -2.783 4.234 1.00 0.00 N ATOM 846 CA ALA A 63 -7.823 -1.831 5.309 1.00 0.00 C ATOM 847 C ALA A 63 -8.126 -2.449 6.672 1.00 0.00 C ATOM 848 O ALA A 63 -8.860 -1.882 7.481 1.00 0.00 O ATOM 849 CB ALA A 63 -8.641 -0.567 5.100 1.00 0.00 C ATOM 0 H ALA A 63 -8.959 -2.628 3.739 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.765 -1.570 5.288 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.439 0.135 5.909 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.369 -0.111 4.148 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.702 -0.817 5.093 1.00 0.00 H new ATOM 855 N ALA A 64 -7.547 -3.617 6.912 1.00 0.00 N ATOM 856 CA ALA A 64 -7.772 -4.353 8.145 1.00 0.00 C ATOM 857 C ALA A 64 -6.496 -4.447 8.973 1.00 0.00 C ATOM 858 O ALA A 64 -6.514 -4.232 10.182 1.00 0.00 O ATOM 859 CB ALA A 64 -8.301 -5.744 7.830 1.00 0.00 C ATOM 0 H ALA A 64 -6.912 -4.078 6.261 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.513 -3.813 8.734 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.467 -6.289 8.759 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.241 -5.661 7.285 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.574 -6.280 7.220 1.00 0.00 H new ATOM 865 N ASN A 65 -5.386 -4.756 8.313 1.00 0.00 N ATOM 866 CA ASN A 65 -4.114 -4.955 9.010 1.00 0.00 C ATOM 867 C ASN A 65 -3.205 -3.746 8.840 1.00 0.00 C ATOM 868 O ASN A 65 -1.998 -3.824 9.079 1.00 0.00 O ATOM 869 CB ASN A 65 -3.393 -6.202 8.493 1.00 0.00 C ATOM 870 CG ASN A 65 -4.320 -7.215 7.859 1.00 0.00 C ATOM 871 OD1 ASN A 65 -5.115 -7.868 8.538 1.00 0.00 O ATOM 872 ND2 ASN A 65 -4.224 -7.350 6.545 1.00 0.00 N ATOM 0 H ASN A 65 -5.337 -4.874 7.301 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.342 -5.087 10.068 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.642 -5.901 7.762 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.862 -6.674 9.320 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.823 -8.015 6.056 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.552 -6.789 6.022 1.00 0.00 H new ATOM 879 N CYS A 66 -3.779 -2.645 8.394 1.00 0.00 N ATOM 880 CA CYS A 66 -3.033 -1.406 8.235 1.00 0.00 C ATOM 881 C CYS A 66 -3.399 -0.433 9.341 1.00 0.00 C ATOM 882 O CYS A 66 -4.566 -0.076 9.501 1.00 0.00 O ATOM 883 CB CYS A 66 -3.307 -0.779 6.866 1.00 0.00 C ATOM 884 SG CYS A 66 -3.882 -1.959 5.599 1.00 0.00 S ATOM 0 H CYS A 66 -4.763 -2.581 8.134 1.00 0.00 H new ATOM 0 HA CYS A 66 -1.969 -1.633 8.300 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -4.056 0.005 6.982 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.395 -0.299 6.511 1.00 0.00 H new ATOM 889 N VAL A 67 -2.403 -0.002 10.100 1.00 0.00 N ATOM 890 CA VAL A 67 -2.636 0.867 11.248 1.00 0.00 C ATOM 891 C VAL A 67 -2.851 2.312 10.810 1.00 0.00 C ATOM 892 O VAL A 67 -3.402 3.123 11.555 1.00 0.00 O ATOM 893 CB VAL A 67 -1.465 0.812 12.253 1.00 0.00 C ATOM 894 CG1 VAL A 67 -1.513 -0.477 13.057 1.00 0.00 C ATOM 895 CG2 VAL A 67 -0.127 0.951 11.540 1.00 0.00 C ATOM 0 H VAL A 67 -1.423 -0.239 9.943 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.537 0.500 11.739 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.569 1.652 12.940 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.680 -0.499 13.760 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.453 -0.528 13.606 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.440 -1.330 12.382 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.681 0.909 12.271 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.011 0.138 10.823 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.092 1.906 11.015 1.00 0.00 H new ATOM 905 N ALA A 68 -2.419 2.618 9.599 1.00 0.00 N ATOM 906 CA ALA A 68 -2.576 3.946 9.037 1.00 0.00 C ATOM 907 C ALA A 68 -2.835 3.831 7.548 1.00 0.00 C ATOM 908 O ALA A 68 -3.585 4.663 6.996 1.00 0.00 O ATOM 909 CB ALA A 68 -1.337 4.788 9.302 1.00 0.00 C ATOM 910 OXT ALA A 68 -2.308 2.879 6.941 1.00 0.00 O ATOM 0 H ALA A 68 -1.951 1.955 8.981 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.424 4.440 9.512 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.473 5.781 8.873 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.180 4.876 10.377 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.469 4.312 8.846 1.00 0.00 H new TER 916 ALA A 68