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 22 SER OG : rot 180:sc= 0.0614 USER MOD Set 1.2: A 45 LYS NZ :NH3+ 153:sc= 1.17 (180deg=-0.307!) USER MOD Single : A 1 SER N :NH3+ -115:sc= 0.495 (180deg=0.00271) USER MOD Single : A 1 SER OG : rot 180:sc= 0.207 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.089 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0147 USER MOD Single : A 8 ASN : amide:sc= 0.384 K(o=0.38,f=-5.8!) USER MOD Single : A 9 THR OG1 : rot -44:sc= -2.28! USER MOD Single : A 11 SER OG : rot 180:sc= 0.00064 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -68:sc= 1.26 USER MOD Single : A 21 GLN : amide:sc= -0.31 X(o=-0.31,f=0) USER MOD Single : A 23 MET CE :methyl 172:sc= 0 (180deg=-0.115) USER MOD Single : A 24 SER OG : rot 180:sc= -0.011 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0942 USER MOD Single : A 28 SER OG : rot 180:sc= 0.114 USER MOD Single : A 38 SER OG : rot -100:sc= 0.12 USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 43 SER OG : rot 180:sc= 0.114 USER MOD Single : A 48 LYS NZ :NH3+ -120:sc= 1.21 (180deg=0.379) USER MOD Single : A 52 THR OG1 : rot -118:sc= 0.358 USER MOD Single : A 53 ASN : amide:sc=-0.00267 X(o=-0.0027,f=-0.084) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0526 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 57 SER OG : rot 180:sc= 0.00797 USER MOD Single : A 62 ASN : amide:sc= 0.461 K(o=0.46,f=-5.9!) USER MOD Single : A 65 ASN : amide:sc= -1.98! C(o=-2!,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -4.008 13.121 -4.898 1.00 0.00 N ATOM 2 CA SER A 1 -2.804 13.762 -4.331 1.00 0.00 C ATOM 3 C SER A 1 -1.564 12.950 -4.668 1.00 0.00 C ATOM 4 O SER A 1 -1.564 11.728 -4.543 1.00 0.00 O ATOM 5 CB SER A 1 -2.953 13.887 -2.814 1.00 0.00 C ATOM 6 OG SER A 1 -4.265 13.532 -2.410 1.00 0.00 O ATOM 0 H1 SER A 1 -4.423 13.741 -5.622 1.00 0.00 H new ATOM 0 H2 SER A 1 -3.747 12.211 -5.329 1.00 0.00 H new ATOM 0 H3 SER A 1 -4.703 12.958 -4.142 1.00 0.00 H new ATOM 0 HA SER A 1 -2.695 14.756 -4.764 1.00 0.00 H new ATOM 0 HB2 SER A 1 -2.227 13.243 -2.318 1.00 0.00 H new ATOM 0 HB3 SER A 1 -2.736 14.909 -2.505 1.00 0.00 H new ATOM 0 HG SER A 1 -4.342 13.616 -1.437 1.00 0.00 H new ATOM 14 N ALA A 2 -0.517 13.631 -5.102 1.00 0.00 N ATOM 15 CA ALA A 2 0.728 12.972 -5.446 1.00 0.00 C ATOM 16 C ALA A 2 1.699 13.031 -4.276 1.00 0.00 C ATOM 17 O ALA A 2 2.508 13.952 -4.168 1.00 0.00 O ATOM 18 CB ALA A 2 1.342 13.600 -6.687 1.00 0.00 C ATOM 0 H ALA A 2 -0.506 14.644 -5.224 1.00 0.00 H new ATOM 0 HA ALA A 2 0.516 11.926 -5.665 1.00 0.00 H new ATOM 0 HB1 ALA A 2 2.275 13.091 -6.928 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.650 13.504 -7.524 1.00 0.00 H new ATOM 0 HB3 ALA A 2 1.542 14.655 -6.500 1.00 0.00 H new ATOM 24 N THR A 3 1.604 12.056 -3.390 1.00 0.00 N ATOM 25 CA THR A 3 2.474 11.997 -2.233 1.00 0.00 C ATOM 26 C THR A 3 3.837 11.445 -2.620 1.00 0.00 C ATOM 27 O THR A 3 3.937 10.399 -3.265 1.00 0.00 O ATOM 28 CB THR A 3 1.868 11.126 -1.121 1.00 0.00 C ATOM 29 OG1 THR A 3 0.572 10.651 -1.516 1.00 0.00 O ATOM 30 CG2 THR A 3 1.749 11.912 0.174 1.00 0.00 C ATOM 0 H THR A 3 0.930 11.293 -3.451 1.00 0.00 H new ATOM 0 HA THR A 3 2.587 13.014 -1.856 1.00 0.00 H new ATOM 0 HB THR A 3 2.530 10.276 -0.956 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.195 10.096 -0.802 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.318 11.276 0.947 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.738 12.246 0.489 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.106 12.778 0.016 1.00 0.00 H new ATOM 38 N THR A 4 4.876 12.162 -2.242 1.00 0.00 N ATOM 39 CA THR A 4 6.233 11.749 -2.538 1.00 0.00 C ATOM 40 C THR A 4 6.848 11.055 -1.330 1.00 0.00 C ATOM 41 O THR A 4 6.949 11.642 -0.252 1.00 0.00 O ATOM 42 CB THR A 4 7.101 12.955 -2.934 1.00 0.00 C ATOM 43 OG1 THR A 4 6.280 14.131 -3.037 1.00 0.00 O ATOM 44 CG2 THR A 4 7.803 12.706 -4.260 1.00 0.00 C ATOM 0 H THR A 4 4.805 13.039 -1.726 1.00 0.00 H new ATOM 0 HA THR A 4 6.197 11.054 -3.377 1.00 0.00 H new ATOM 0 HB THR A 4 7.858 13.101 -2.163 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.837 14.898 -3.288 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.411 13.573 -4.518 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.442 11.827 -4.174 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.060 12.539 -5.039 1.00 0.00 H new ATOM 52 N ILE A 5 7.225 9.800 -1.501 1.00 0.00 N ATOM 53 CA ILE A 5 7.824 9.039 -0.419 1.00 0.00 C ATOM 54 C ILE A 5 9.328 8.915 -0.623 1.00 0.00 C ATOM 55 O ILE A 5 9.832 9.139 -1.724 1.00 0.00 O ATOM 56 CB ILE A 5 7.195 7.633 -0.296 1.00 0.00 C ATOM 57 CG1 ILE A 5 7.601 6.749 -1.479 1.00 0.00 C ATOM 58 CG2 ILE A 5 5.678 7.730 -0.202 1.00 0.00 C ATOM 59 CD1 ILE A 5 7.546 5.269 -1.173 1.00 0.00 C ATOM 0 H ILE A 5 7.127 9.287 -2.377 1.00 0.00 H new ATOM 0 HA ILE A 5 7.629 9.580 0.507 1.00 0.00 H new ATOM 0 HB ILE A 5 7.570 7.174 0.619 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.945 6.962 -2.323 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.613 7.011 -1.787 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.254 6.730 -0.116 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.405 8.317 0.675 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.288 8.213 -1.098 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.846 4.704 -2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.223 5.042 -0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 5 6.529 4.993 -0.894 1.00 0.00 H new ATOM 71 N GLY A 6 10.038 8.568 0.440 1.00 0.00 N ATOM 72 CA GLY A 6 11.479 8.409 0.353 1.00 0.00 C ATOM 73 C GLY A 6 11.873 6.975 0.080 1.00 0.00 C ATOM 74 O GLY A 6 11.180 6.275 -0.657 1.00 0.00 O ATOM 0 H GLY A 6 9.643 8.393 1.364 1.00 0.00 H new ATOM 0 HA2 GLY A 6 11.868 9.049 -0.439 1.00 0.00 H new ATOM 0 HA3 GLY A 6 11.938 8.740 1.285 1.00 0.00 H new ATOM 78 N PRO A 7 12.990 6.504 0.655 1.00 0.00 N ATOM 79 CA PRO A 7 13.410 5.110 0.527 1.00 0.00 C ATOM 80 C PRO A 7 12.616 4.210 1.459 1.00 0.00 C ATOM 81 O PRO A 7 12.349 3.047 1.154 1.00 0.00 O ATOM 82 CB PRO A 7 14.893 5.129 0.931 1.00 0.00 C ATOM 83 CG PRO A 7 15.243 6.568 1.166 1.00 0.00 C ATOM 84 CD PRO A 7 13.952 7.285 1.436 1.00 0.00 C ATOM 0 HA PRO A 7 13.248 4.720 -0.478 1.00 0.00 H new ATOM 0 HB2 PRO A 7 15.059 4.536 1.830 1.00 0.00 H new ATOM 0 HB3 PRO A 7 15.516 4.700 0.146 1.00 0.00 H new ATOM 0 HG2 PRO A 7 15.925 6.668 2.010 1.00 0.00 H new ATOM 0 HG3 PRO A 7 15.747 6.991 0.297 1.00 0.00 H new ATOM 0 HD2 PRO A 7 13.704 7.290 2.498 1.00 0.00 H new ATOM 0 HD3 PRO A 7 13.989 8.325 1.112 1.00 0.00 H new ATOM 92 N ASN A 8 12.251 4.762 2.600 1.00 0.00 N ATOM 93 CA ASN A 8 11.364 4.100 3.533 1.00 0.00 C ATOM 94 C ASN A 8 10.502 5.152 4.199 1.00 0.00 C ATOM 95 O ASN A 8 11.018 6.112 4.765 1.00 0.00 O ATOM 96 CB ASN A 8 12.146 3.310 4.589 1.00 0.00 C ATOM 97 CG ASN A 8 11.251 2.387 5.400 1.00 0.00 C ATOM 98 OD1 ASN A 8 10.238 2.810 5.954 1.00 0.00 O ATOM 99 ND2 ASN A 8 11.618 1.118 5.474 1.00 0.00 N ATOM 0 H ASN A 8 12.563 5.684 2.905 1.00 0.00 H new ATOM 0 HA ASN A 8 10.744 3.386 2.991 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.921 2.722 4.099 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.650 4.005 5.260 1.00 0.00 H new ATOM 0 HD21 ASN A 8 11.054 0.454 6.004 1.00 0.00 H new ATOM 0 HD22 ASN A 8 12.465 0.804 5.001 1.00 0.00 H new ATOM 106 N THR A 9 9.198 4.998 4.089 1.00 0.00 N ATOM 107 CA THR A 9 8.271 5.935 4.700 1.00 0.00 C ATOM 108 C THR A 9 7.277 5.206 5.603 1.00 0.00 C ATOM 109 O THR A 9 6.073 5.466 5.575 1.00 0.00 O ATOM 110 CB THR A 9 7.532 6.743 3.618 1.00 0.00 C ATOM 111 OG1 THR A 9 8.381 6.874 2.468 1.00 0.00 O ATOM 112 CG2 THR A 9 7.149 8.125 4.128 1.00 0.00 C ATOM 0 H THR A 9 8.754 4.233 3.582 1.00 0.00 H new ATOM 0 HA THR A 9 8.842 6.628 5.318 1.00 0.00 H new ATOM 0 HB THR A 9 6.617 6.213 3.354 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.290 7.101 2.756 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.629 8.672 3.342 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.495 8.025 4.994 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.049 8.670 4.414 1.00 0.00 H new ATOM 120 N CYS A 10 7.799 4.282 6.398 1.00 0.00 N ATOM 121 CA CYS A 10 6.988 3.517 7.330 1.00 0.00 C ATOM 122 C CYS A 10 7.867 2.929 8.426 1.00 0.00 C ATOM 123 O CYS A 10 8.235 1.754 8.379 1.00 0.00 O ATOM 124 CB CYS A 10 6.238 2.398 6.602 1.00 0.00 C ATOM 125 SG CYS A 10 5.018 1.523 7.635 1.00 0.00 S ATOM 0 H CYS A 10 8.791 4.044 6.414 1.00 0.00 H new ATOM 0 HA CYS A 10 6.256 4.187 7.781 1.00 0.00 H new ATOM 0 HB2 CYS A 10 5.728 2.821 5.736 1.00 0.00 H new ATOM 0 HB3 CYS A 10 6.962 1.676 6.224 1.00 0.00 H new ATOM 130 N SER A 11 8.211 3.753 9.402 1.00 0.00 N ATOM 131 CA SER A 11 9.053 3.321 10.506 1.00 0.00 C ATOM 132 C SER A 11 8.252 3.252 11.804 1.00 0.00 C ATOM 133 O SER A 11 8.739 3.619 12.874 1.00 0.00 O ATOM 134 CB SER A 11 10.229 4.284 10.662 1.00 0.00 C ATOM 135 OG SER A 11 9.919 5.554 10.105 1.00 0.00 O ATOM 0 H SER A 11 7.919 4.729 9.452 1.00 0.00 H new ATOM 0 HA SER A 11 9.431 2.322 10.288 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.476 4.395 11.718 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.110 3.872 10.170 1.00 0.00 H new ATOM 0 HG SER A 11 10.684 6.156 10.217 1.00 0.00 H new ATOM 141 N ILE A 12 7.018 2.779 11.703 1.00 0.00 N ATOM 142 CA ILE A 12 6.140 2.683 12.861 1.00 0.00 C ATOM 143 C ILE A 12 6.499 1.459 13.695 1.00 0.00 C ATOM 144 O ILE A 12 6.733 1.559 14.900 1.00 0.00 O ATOM 145 CB ILE A 12 4.654 2.599 12.434 1.00 0.00 C ATOM 146 CG1 ILE A 12 4.263 3.823 11.599 1.00 0.00 C ATOM 147 CG2 ILE A 12 3.744 2.473 13.649 1.00 0.00 C ATOM 148 CD1 ILE A 12 4.418 5.141 12.332 1.00 0.00 C ATOM 0 H ILE A 12 6.602 2.455 10.830 1.00 0.00 H new ATOM 0 HA ILE A 12 6.278 3.585 13.458 1.00 0.00 H new ATOM 0 HB ILE A 12 4.530 1.706 11.821 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.875 3.846 10.697 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.227 3.716 11.279 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.706 2.416 13.322 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.000 1.570 14.203 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.874 3.343 14.293 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.122 5.959 11.676 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.785 5.140 13.219 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.459 5.272 12.629 1.00 0.00 H new ATOM 160 N ASP A 13 6.553 0.316 13.031 1.00 0.00 N ATOM 161 CA ASP A 13 6.867 -0.954 13.675 1.00 0.00 C ATOM 162 C ASP A 13 7.066 -2.017 12.602 1.00 0.00 C ATOM 163 O ASP A 13 7.870 -1.836 11.687 1.00 0.00 O ATOM 164 CB ASP A 13 5.741 -1.363 14.643 1.00 0.00 C ATOM 165 CG ASP A 13 6.181 -2.393 15.667 1.00 0.00 C ATOM 166 OD1 ASP A 13 7.324 -2.883 15.582 1.00 0.00 O ATOM 167 OD2 ASP A 13 5.368 -2.743 16.548 1.00 0.00 O ATOM 0 H ASP A 13 6.380 0.240 12.029 1.00 0.00 H new ATOM 0 HA ASP A 13 7.783 -0.850 14.256 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.376 -0.477 15.162 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.905 -1.764 14.070 1.00 0.00 H new ATOM 172 N ASP A 14 6.328 -3.111 12.694 1.00 0.00 N ATOM 173 CA ASP A 14 6.360 -4.127 11.656 1.00 0.00 C ATOM 174 C ASP A 14 5.240 -3.875 10.660 1.00 0.00 C ATOM 175 O ASP A 14 4.271 -4.630 10.583 1.00 0.00 O ATOM 176 CB ASP A 14 6.236 -5.527 12.251 1.00 0.00 C ATOM 177 CG ASP A 14 6.426 -6.613 11.209 1.00 0.00 C ATOM 178 OD1 ASP A 14 7.186 -6.394 10.238 1.00 0.00 O ATOM 179 OD2 ASP A 14 5.820 -7.694 11.358 1.00 0.00 O ATOM 0 H ASP A 14 5.703 -3.317 13.473 1.00 0.00 H new ATOM 0 HA ASP A 14 7.320 -4.067 11.143 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.977 -5.651 13.041 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.255 -5.638 12.713 1.00 0.00 H new ATOM 184 N TYR A 15 5.362 -2.780 9.937 1.00 0.00 N ATOM 185 CA TYR A 15 4.393 -2.413 8.920 1.00 0.00 C ATOM 186 C TYR A 15 5.130 -2.037 7.648 1.00 0.00 C ATOM 187 O TYR A 15 6.284 -1.614 7.703 1.00 0.00 O ATOM 188 CB TYR A 15 3.527 -1.236 9.386 1.00 0.00 C ATOM 189 CG TYR A 15 2.657 -1.537 10.587 1.00 0.00 C ATOM 190 CD1 TYR A 15 3.127 -1.328 11.877 1.00 0.00 C ATOM 191 CD2 TYR A 15 1.366 -2.027 10.432 1.00 0.00 C ATOM 192 CE1 TYR A 15 2.338 -1.600 12.976 1.00 0.00 C ATOM 193 CE2 TYR A 15 0.570 -2.300 11.526 1.00 0.00 C ATOM 194 CZ TYR A 15 1.059 -2.085 12.796 1.00 0.00 C ATOM 195 OH TYR A 15 0.271 -2.355 13.890 1.00 0.00 O ATOM 0 H TYR A 15 6.133 -2.120 10.036 1.00 0.00 H new ATOM 0 HA TYR A 15 3.737 -3.263 8.735 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.177 -0.395 9.625 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.889 -0.921 8.560 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.127 -0.946 12.023 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.979 -2.197 9.438 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.720 -1.434 13.972 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.431 -2.680 11.387 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.601 -2.689 13.591 1.00 0.00 H new ATOM 205 N LYS A 16 4.476 -2.192 6.512 1.00 0.00 N ATOM 206 CA LYS A 16 5.086 -1.849 5.239 1.00 0.00 C ATOM 207 C LYS A 16 4.383 -0.652 4.623 1.00 0.00 C ATOM 208 O LYS A 16 3.171 -0.486 4.792 1.00 0.00 O ATOM 209 CB LYS A 16 5.024 -3.041 4.284 1.00 0.00 C ATOM 210 CG LYS A 16 6.109 -4.076 4.528 1.00 0.00 C ATOM 211 CD LYS A 16 6.718 -4.559 3.222 1.00 0.00 C ATOM 212 CE LYS A 16 7.085 -6.032 3.294 1.00 0.00 C ATOM 213 NZ LYS A 16 8.234 -6.282 4.204 1.00 0.00 N ATOM 0 H LYS A 16 3.524 -2.552 6.444 1.00 0.00 H new ATOM 0 HA LYS A 16 6.131 -1.591 5.413 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.049 -3.520 4.378 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.104 -2.679 3.259 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.888 -3.647 5.158 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.690 -4.923 5.071 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.012 -4.398 2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.607 -3.971 2.994 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.222 -6.603 3.636 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.330 -6.393 2.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.448 -7.300 4.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.066 -5.759 3.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.992 -5.963 5.164 1.00 0.00 H new ATOM 227 N PRO A 17 5.129 0.203 3.906 1.00 0.00 N ATOM 228 CA PRO A 17 4.566 1.385 3.264 1.00 0.00 C ATOM 229 C PRO A 17 3.844 1.043 1.966 1.00 0.00 C ATOM 230 O PRO A 17 4.463 0.869 0.914 1.00 0.00 O ATOM 231 CB PRO A 17 5.793 2.257 2.996 1.00 0.00 C ATOM 232 CG PRO A 17 6.926 1.301 2.845 1.00 0.00 C ATOM 233 CD PRO A 17 6.583 0.082 3.669 1.00 0.00 C ATOM 0 HA PRO A 17 3.813 1.874 3.882 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.661 2.857 2.095 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.970 2.951 3.818 1.00 0.00 H new ATOM 0 HG2 PRO A 17 7.068 1.032 1.798 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.858 1.749 3.188 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.825 -0.839 3.138 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.139 0.065 4.606 1.00 0.00 H new ATOM 241 N TYR A 18 2.530 0.939 2.049 1.00 0.00 N ATOM 242 CA TYR A 18 1.718 0.607 0.896 1.00 0.00 C ATOM 243 C TYR A 18 0.940 1.822 0.429 1.00 0.00 C ATOM 244 O TYR A 18 0.087 2.337 1.152 1.00 0.00 O ATOM 245 CB TYR A 18 0.744 -0.523 1.237 1.00 0.00 C ATOM 246 CG TYR A 18 1.363 -1.897 1.179 1.00 0.00 C ATOM 247 CD1 TYR A 18 1.435 -2.595 -0.018 1.00 0.00 C ATOM 248 CD2 TYR A 18 1.879 -2.493 2.319 1.00 0.00 C ATOM 249 CE1 TYR A 18 2.004 -3.850 -0.077 1.00 0.00 C ATOM 250 CE2 TYR A 18 2.452 -3.746 2.270 1.00 0.00 C ATOM 251 CZ TYR A 18 2.513 -4.423 1.069 1.00 0.00 C ATOM 252 OH TYR A 18 3.088 -5.672 1.014 1.00 0.00 O ATOM 0 H TYR A 18 2.001 1.081 2.910 1.00 0.00 H new ATOM 0 HA TYR A 18 2.381 0.278 0.096 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.344 -0.356 2.237 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.099 -0.485 0.547 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.039 -2.148 -0.918 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.831 -1.967 3.261 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.051 -4.381 -1.016 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.851 -4.196 3.167 1.00 0.00 H new ATOM 0 HH TYR A 18 2.399 -6.341 0.819 1.00 0.00 H new ATOM 262 N CYS A 19 1.225 2.278 -0.773 1.00 0.00 N ATOM 263 CA CYS A 19 0.463 3.360 -1.364 1.00 0.00 C ATOM 264 C CYS A 19 -0.842 2.788 -1.889 1.00 0.00 C ATOM 265 O CYS A 19 -0.940 2.367 -3.043 1.00 0.00 O ATOM 266 CB CYS A 19 1.265 4.033 -2.476 1.00 0.00 C ATOM 267 SG CYS A 19 2.951 4.514 -1.971 1.00 0.00 S ATOM 0 H CYS A 19 1.977 1.917 -1.360 1.00 0.00 H new ATOM 0 HA CYS A 19 0.248 4.125 -0.618 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.329 3.356 -3.328 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.729 4.920 -2.814 1.00 0.00 H new ATOM 272 N CYS A 20 -1.828 2.743 -1.011 1.00 0.00 N ATOM 273 CA CYS A 20 -3.059 2.035 -1.283 1.00 0.00 C ATOM 274 C CYS A 20 -4.121 2.960 -1.842 1.00 0.00 C ATOM 275 O CYS A 20 -4.471 3.971 -1.233 1.00 0.00 O ATOM 276 CB CYS A 20 -3.566 1.363 -0.012 1.00 0.00 C ATOM 277 SG CYS A 20 -4.766 0.028 -0.310 1.00 0.00 S ATOM 0 H CYS A 20 -1.796 3.194 -0.097 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.849 1.275 -2.036 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.716 0.958 0.537 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.027 2.117 0.626 1.00 0.00 H new ATOM 282 N GLN A 21 -4.624 2.605 -3.010 1.00 0.00 N ATOM 283 CA GLN A 21 -5.706 3.343 -3.628 1.00 0.00 C ATOM 284 C GLN A 21 -7.033 2.876 -3.059 1.00 0.00 C ATOM 285 O GLN A 21 -7.552 1.828 -3.449 1.00 0.00 O ATOM 286 CB GLN A 21 -5.700 3.146 -5.146 1.00 0.00 C ATOM 287 CG GLN A 21 -4.310 3.111 -5.757 1.00 0.00 C ATOM 288 CD GLN A 21 -4.328 3.367 -7.251 1.00 0.00 C ATOM 289 OE1 GLN A 21 -4.430 4.509 -7.693 1.00 0.00 O ATOM 290 NE2 GLN A 21 -4.235 2.306 -8.036 1.00 0.00 N ATOM 0 H GLN A 21 -4.297 1.805 -3.551 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.568 4.403 -3.415 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.214 2.215 -5.384 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.270 3.952 -5.609 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.684 3.859 -5.271 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.855 2.139 -5.563 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.152 1.375 -7.628 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.247 2.419 -9.050 1.00 0.00 H new ATOM 299 N SER A 22 -7.560 3.633 -2.115 1.00 0.00 N ATOM 300 CA SER A 22 -8.870 3.349 -1.571 1.00 0.00 C ATOM 301 C SER A 22 -9.930 3.841 -2.543 1.00 0.00 C ATOM 302 O SER A 22 -10.186 5.042 -2.648 1.00 0.00 O ATOM 303 CB SER A 22 -9.031 4.021 -0.206 1.00 0.00 C ATOM 304 OG SER A 22 -7.775 4.453 0.299 1.00 0.00 O ATOM 0 H SER A 22 -7.100 4.448 -1.711 1.00 0.00 H new ATOM 0 HA SER A 22 -8.985 2.274 -1.433 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.705 4.873 -0.293 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.489 3.323 0.495 1.00 0.00 H new ATOM 0 HG SER A 22 -7.903 4.881 1.171 1.00 0.00 H new ATOM 310 N MET A 23 -10.533 2.904 -3.263 1.00 0.00 N ATOM 311 CA MET A 23 -11.468 3.233 -4.335 1.00 0.00 C ATOM 312 C MET A 23 -12.864 3.528 -3.795 1.00 0.00 C ATOM 313 O MET A 23 -13.853 3.311 -4.493 1.00 0.00 O ATOM 314 CB MET A 23 -11.534 2.092 -5.354 1.00 0.00 C ATOM 315 CG MET A 23 -10.220 1.843 -6.078 1.00 0.00 C ATOM 316 SD MET A 23 -10.143 0.209 -6.842 1.00 0.00 S ATOM 317 CE MET A 23 -11.543 0.286 -7.955 1.00 0.00 C ATOM 0 H MET A 23 -10.391 1.904 -3.124 1.00 0.00 H new ATOM 0 HA MET A 23 -11.100 4.134 -4.825 1.00 0.00 H new ATOM 0 HB2 MET A 23 -11.836 1.178 -4.843 1.00 0.00 H new ATOM 0 HB3 MET A 23 -12.307 2.317 -6.089 1.00 0.00 H new ATOM 0 HG2 MET A 23 -10.083 2.605 -6.845 1.00 0.00 H new ATOM 0 HG3 MET A 23 -9.396 1.949 -5.373 1.00 0.00 H new ATOM 0 HE1 MET A 23 -11.544 -0.593 -8.600 1.00 0.00 H new ATOM 0 HE2 MET A 23 -12.467 0.313 -7.377 1.00 0.00 H new ATOM 0 HE3 MET A 23 -11.472 1.185 -8.567 1.00 0.00 H new ATOM 327 N SER A 24 -12.911 4.032 -2.559 1.00 0.00 N ATOM 328 CA SER A 24 -14.147 4.454 -1.893 1.00 0.00 C ATOM 329 C SER A 24 -15.343 3.570 -2.242 1.00 0.00 C ATOM 330 O SER A 24 -16.190 3.949 -3.056 1.00 0.00 O ATOM 331 CB SER A 24 -14.456 5.915 -2.246 1.00 0.00 C ATOM 332 OG SER A 24 -13.500 6.443 -3.156 1.00 0.00 O ATOM 0 H SER A 24 -12.079 4.160 -1.984 1.00 0.00 H new ATOM 0 HA SER A 24 -13.981 4.353 -0.820 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.452 5.982 -2.683 1.00 0.00 H new ATOM 0 HB3 SER A 24 -14.466 6.516 -1.337 1.00 0.00 H new ATOM 0 HG SER A 24 -13.725 7.374 -3.363 1.00 0.00 H new ATOM 338 N GLY A 25 -15.427 2.404 -1.621 1.00 0.00 N ATOM 339 CA GLY A 25 -16.526 1.512 -1.912 1.00 0.00 C ATOM 340 C GLY A 25 -16.353 0.126 -1.329 1.00 0.00 C ATOM 341 O GLY A 25 -16.146 -0.034 -0.125 1.00 0.00 O ATOM 0 H GLY A 25 -14.761 2.063 -0.928 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.448 1.947 -1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.640 1.431 -2.993 1.00 0.00 H new ATOM 345 N SER A 26 -16.404 -0.872 -2.198 1.00 0.00 N ATOM 346 CA SER A 26 -16.485 -2.271 -1.788 1.00 0.00 C ATOM 347 C SER A 26 -15.116 -2.859 -1.457 1.00 0.00 C ATOM 348 O SER A 26 -14.617 -3.723 -2.178 1.00 0.00 O ATOM 349 CB SER A 26 -17.137 -3.076 -2.910 1.00 0.00 C ATOM 350 OG SER A 26 -17.582 -2.214 -3.951 1.00 0.00 O ATOM 0 H SER A 26 -16.391 -0.738 -3.209 1.00 0.00 H new ATOM 0 HA SER A 26 -17.083 -2.323 -0.878 1.00 0.00 H new ATOM 0 HB2 SER A 26 -16.424 -3.798 -3.308 1.00 0.00 H new ATOM 0 HB3 SER A 26 -17.980 -3.644 -2.515 1.00 0.00 H new ATOM 0 HG SER A 26 -17.996 -2.746 -4.662 1.00 0.00 H new ATOM 356 N ALA A 27 -14.514 -2.365 -0.371 1.00 0.00 N ATOM 357 CA ALA A 27 -13.243 -2.890 0.143 1.00 0.00 C ATOM 358 C ALA A 27 -12.150 -2.872 -0.923 1.00 0.00 C ATOM 359 O ALA A 27 -11.191 -3.646 -0.866 1.00 0.00 O ATOM 360 CB ALA A 27 -13.436 -4.301 0.688 1.00 0.00 C ATOM 0 H ALA A 27 -14.892 -1.592 0.176 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.919 -2.238 0.954 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -12.486 -4.678 1.066 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.166 -4.282 1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.794 -4.953 -0.109 1.00 0.00 H new ATOM 366 N SER A 28 -12.300 -1.980 -1.886 1.00 0.00 N ATOM 367 CA SER A 28 -11.374 -1.884 -2.995 1.00 0.00 C ATOM 368 C SER A 28 -10.106 -1.147 -2.580 1.00 0.00 C ATOM 369 O SER A 28 -9.981 0.066 -2.773 1.00 0.00 O ATOM 370 CB SER A 28 -12.066 -1.177 -4.156 1.00 0.00 C ATOM 371 OG SER A 28 -13.466 -1.093 -3.923 1.00 0.00 O ATOM 0 H SER A 28 -13.064 -1.306 -1.920 1.00 0.00 H new ATOM 0 HA SER A 28 -11.077 -2.884 -3.310 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.651 -0.177 -4.280 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.877 -1.718 -5.084 1.00 0.00 H new ATOM 0 HG SER A 28 -13.896 -0.636 -4.676 1.00 0.00 H new ATOM 377 N LEU A 29 -9.183 -1.884 -1.979 1.00 0.00 N ATOM 378 CA LEU A 29 -7.913 -1.328 -1.555 1.00 0.00 C ATOM 379 C LEU A 29 -6.789 -1.846 -2.441 1.00 0.00 C ATOM 380 O LEU A 29 -6.299 -2.962 -2.256 1.00 0.00 O ATOM 381 CB LEU A 29 -7.630 -1.683 -0.094 1.00 0.00 C ATOM 382 CG LEU A 29 -8.464 -0.933 0.950 1.00 0.00 C ATOM 383 CD1 LEU A 29 -7.766 -0.964 2.302 1.00 0.00 C ATOM 384 CD2 LEU A 29 -8.713 0.504 0.517 1.00 0.00 C ATOM 0 H LEU A 29 -9.295 -2.877 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.967 -0.243 -1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.794 -2.752 0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.576 -1.495 0.108 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.429 -1.433 1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.369 -0.428 3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.640 -1.998 2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.789 -0.488 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.307 1.015 1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.759 1.018 0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.251 0.510 -0.431 1.00 0.00 H new ATOM 396 N GLY A 30 -6.398 -1.042 -3.412 1.00 0.00 N ATOM 397 CA GLY A 30 -5.307 -1.413 -4.289 1.00 0.00 C ATOM 398 C GLY A 30 -4.009 -0.791 -3.832 1.00 0.00 C ATOM 399 O GLY A 30 -3.652 0.304 -4.261 1.00 0.00 O ATOM 0 H GLY A 30 -6.817 -0.134 -3.612 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.206 -2.498 -4.311 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.529 -1.093 -5.307 1.00 0.00 H new ATOM 403 N CYS A 31 -3.310 -1.476 -2.948 1.00 0.00 N ATOM 404 CA CYS A 31 -2.115 -0.927 -2.335 1.00 0.00 C ATOM 405 C CYS A 31 -0.861 -1.412 -3.042 1.00 0.00 C ATOM 406 O CYS A 31 -0.588 -2.609 -3.103 1.00 0.00 O ATOM 407 CB CYS A 31 -2.064 -1.296 -0.851 1.00 0.00 C ATOM 408 SG CYS A 31 -3.690 -1.686 -0.123 1.00 0.00 S ATOM 0 H CYS A 31 -3.550 -2.417 -2.637 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.156 0.158 -2.430 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.406 -2.155 -0.724 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.619 -0.469 -0.297 1.00 0.00 H new ATOM 413 N VAL A 32 -0.108 -0.478 -3.596 1.00 0.00 N ATOM 414 CA VAL A 32 1.153 -0.802 -4.239 1.00 0.00 C ATOM 415 C VAL A 32 2.303 -0.557 -3.272 1.00 0.00 C ATOM 416 O VAL A 32 2.286 0.414 -2.516 1.00 0.00 O ATOM 417 CB VAL A 32 1.381 0.028 -5.522 1.00 0.00 C ATOM 418 CG1 VAL A 32 2.274 -0.725 -6.493 1.00 0.00 C ATOM 419 CG2 VAL A 32 0.061 0.391 -6.185 1.00 0.00 C ATOM 0 H VAL A 32 -0.349 0.513 -3.613 1.00 0.00 H new ATOM 0 HA VAL A 32 1.114 -1.854 -4.522 1.00 0.00 H new ATOM 0 HB VAL A 32 1.880 0.954 -5.237 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.423 -0.125 -7.390 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.238 -0.921 -6.023 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.803 -1.670 -6.763 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.254 0.975 -7.085 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.475 -0.520 -6.452 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.544 0.979 -5.494 1.00 0.00 H new ATOM 429 N VAL A 33 3.284 -1.449 -3.287 1.00 0.00 N ATOM 430 CA VAL A 33 4.442 -1.331 -2.409 1.00 0.00 C ATOM 431 C VAL A 33 5.234 -0.065 -2.716 1.00 0.00 C ATOM 432 O VAL A 33 5.636 0.169 -3.859 1.00 0.00 O ATOM 433 CB VAL A 33 5.392 -2.548 -2.524 1.00 0.00 C ATOM 434 CG1 VAL A 33 5.287 -3.426 -1.289 1.00 0.00 C ATOM 435 CG2 VAL A 33 5.113 -3.353 -3.788 1.00 0.00 C ATOM 0 H VAL A 33 3.302 -2.265 -3.899 1.00 0.00 H new ATOM 0 HA VAL A 33 4.050 -1.289 -1.393 1.00 0.00 H new ATOM 0 HB VAL A 33 6.412 -2.171 -2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.962 -4.276 -1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.560 -2.847 -0.407 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.263 -3.786 -1.184 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.797 -4.200 -3.838 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.086 -3.717 -3.768 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.256 -2.718 -4.663 1.00 0.00 H new ATOM 445 N GLY A 34 5.435 0.755 -1.694 1.00 0.00 N ATOM 446 CA GLY A 34 6.234 1.948 -1.848 1.00 0.00 C ATOM 447 C GLY A 34 7.710 1.619 -1.881 1.00 0.00 C ATOM 448 O GLY A 34 8.235 0.999 -0.953 1.00 0.00 O ATOM 0 H GLY A 34 5.056 0.612 -0.758 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.953 2.461 -2.768 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.030 2.634 -1.026 1.00 0.00 H new ATOM 452 N VAL A 35 8.378 2.020 -2.950 1.00 0.00 N ATOM 453 CA VAL A 35 9.788 1.711 -3.124 1.00 0.00 C ATOM 454 C VAL A 35 10.658 2.861 -2.624 1.00 0.00 C ATOM 455 O VAL A 35 10.726 3.115 -1.422 1.00 0.00 O ATOM 456 CB VAL A 35 10.135 1.397 -4.598 1.00 0.00 C ATOM 457 CG1 VAL A 35 11.238 0.355 -4.672 1.00 0.00 C ATOM 458 CG2 VAL A 35 8.907 0.925 -5.365 1.00 0.00 C ATOM 0 H VAL A 35 7.967 2.561 -3.711 1.00 0.00 H new ATOM 0 HA VAL A 35 9.993 0.819 -2.532 1.00 0.00 H new ATOM 0 HB VAL A 35 10.489 2.317 -5.063 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.471 0.145 -5.716 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.129 0.732 -4.170 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.907 -0.561 -4.183 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.183 0.712 -6.398 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.513 0.021 -4.901 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.145 1.704 -5.346 1.00 0.00 H new ATOM 468 N ILE A 36 11.313 3.556 -3.543 1.00 0.00 N ATOM 469 CA ILE A 36 12.198 4.653 -3.183 1.00 0.00 C ATOM 470 C ILE A 36 11.949 5.851 -4.088 1.00 0.00 C ATOM 471 O ILE A 36 12.243 5.808 -5.287 1.00 0.00 O ATOM 472 CB ILE A 36 13.684 4.237 -3.277 1.00 0.00 C ATOM 473 CG1 ILE A 36 13.965 3.048 -2.351 1.00 0.00 C ATOM 474 CG2 ILE A 36 14.590 5.411 -2.928 1.00 0.00 C ATOM 475 CD1 ILE A 36 15.314 2.402 -2.578 1.00 0.00 C ATOM 0 H ILE A 36 11.248 3.379 -4.545 1.00 0.00 H new ATOM 0 HA ILE A 36 11.981 4.923 -2.149 1.00 0.00 H new ATOM 0 HB ILE A 36 13.894 3.934 -4.303 1.00 0.00 H new ATOM 0 HG12 ILE A 36 13.903 3.383 -1.316 1.00 0.00 H new ATOM 0 HG13 ILE A 36 13.186 2.299 -2.491 1.00 0.00 H new ATOM 0 HG21 ILE A 36 15.632 5.100 -2.999 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.407 6.231 -3.623 1.00 0.00 H new ATOM 0 HG23 ILE A 36 14.379 5.744 -1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 36 15.440 1.569 -1.886 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.374 2.035 -3.603 1.00 0.00 H new ATOM 0 HD13 ILE A 36 16.102 3.136 -2.409 1.00 0.00 H new ATOM 487 N GLY A 37 11.390 6.909 -3.517 1.00 0.00 N ATOM 488 CA GLY A 37 11.092 8.101 -4.289 1.00 0.00 C ATOM 489 C GLY A 37 9.909 7.893 -5.207 1.00 0.00 C ATOM 490 O GLY A 37 9.852 8.458 -6.300 1.00 0.00 O ATOM 0 H GLY A 37 11.137 6.964 -2.531 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.886 8.930 -3.612 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.965 8.380 -4.879 1.00 0.00 H new ATOM 494 N SER A 38 8.973 7.070 -4.764 1.00 0.00 N ATOM 495 CA SER A 38 7.800 6.749 -5.553 1.00 0.00 C ATOM 496 C SER A 38 6.739 7.845 -5.446 1.00 0.00 C ATOM 497 O SER A 38 6.518 8.420 -4.376 1.00 0.00 O ATOM 498 CB SER A 38 7.231 5.405 -5.096 1.00 0.00 C ATOM 499 OG SER A 38 8.270 4.545 -4.643 1.00 0.00 O ATOM 0 H SER A 38 9.006 6.610 -3.854 1.00 0.00 H new ATOM 0 HA SER A 38 8.094 6.681 -6.600 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.509 5.564 -4.295 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.695 4.933 -5.919 1.00 0.00 H new ATOM 0 HG SER A 38 8.496 3.905 -5.350 1.00 0.00 H new ATOM 505 N GLN A 39 6.108 8.143 -6.572 1.00 0.00 N ATOM 506 CA GLN A 39 5.013 9.093 -6.619 1.00 0.00 C ATOM 507 C GLN A 39 3.701 8.353 -6.427 1.00 0.00 C ATOM 508 O GLN A 39 3.181 7.745 -7.362 1.00 0.00 O ATOM 509 CB GLN A 39 5.006 9.826 -7.958 1.00 0.00 C ATOM 510 CG GLN A 39 5.220 11.325 -7.848 1.00 0.00 C ATOM 511 CD GLN A 39 5.063 12.021 -9.185 1.00 0.00 C ATOM 512 OE1 GLN A 39 4.711 11.397 -10.187 1.00 0.00 O ATOM 513 NE2 GLN A 39 5.323 13.316 -9.209 1.00 0.00 N ATOM 0 H GLN A 39 6.342 7.732 -7.476 1.00 0.00 H new ATOM 0 HA GLN A 39 5.139 9.827 -5.823 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.785 9.405 -8.594 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.054 9.642 -8.455 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.507 11.742 -7.137 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.217 11.521 -7.452 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.612 13.794 -8.356 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.235 13.838 -10.081 1.00 0.00 H new ATOM 522 N CYS A 40 3.184 8.381 -5.217 1.00 0.00 N ATOM 523 CA CYS A 40 1.974 7.648 -4.897 1.00 0.00 C ATOM 524 C CYS A 40 0.754 8.556 -4.951 1.00 0.00 C ATOM 525 O CYS A 40 0.587 9.439 -4.106 1.00 0.00 O ATOM 526 CB CYS A 40 2.103 7.007 -3.515 1.00 0.00 C ATOM 527 SG CYS A 40 3.530 5.880 -3.360 1.00 0.00 S ATOM 0 H CYS A 40 3.582 8.904 -4.437 1.00 0.00 H new ATOM 0 HA CYS A 40 1.840 6.863 -5.642 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.190 7.794 -2.766 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.190 6.455 -3.293 1.00 0.00 H new ATOM 532 N GLY A 41 -0.096 8.331 -5.947 1.00 0.00 N ATOM 533 CA GLY A 41 -1.306 9.120 -6.092 1.00 0.00 C ATOM 534 C GLY A 41 -2.446 8.560 -5.266 1.00 0.00 C ATOM 535 O GLY A 41 -3.602 8.560 -5.696 1.00 0.00 O ATOM 0 H GLY A 41 0.032 7.613 -6.660 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.108 10.148 -5.788 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.598 9.148 -7.142 1.00 0.00 H new ATOM 539 N ALA A 42 -2.109 8.088 -4.074 1.00 0.00 N ATOM 540 CA ALA A 42 -3.067 7.457 -3.184 1.00 0.00 C ATOM 541 C ALA A 42 -2.534 7.471 -1.759 1.00 0.00 C ATOM 542 O ALA A 42 -1.380 7.840 -1.531 1.00 0.00 O ATOM 543 CB ALA A 42 -3.348 6.034 -3.634 1.00 0.00 C ATOM 0 H ALA A 42 -1.162 8.133 -3.698 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.002 8.016 -3.215 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.068 5.574 -2.957 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.756 6.046 -4.645 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.422 5.460 -3.624 1.00 0.00 H new ATOM 549 N SER A 43 -3.363 7.065 -0.810 1.00 0.00 N ATOM 550 CA SER A 43 -2.984 7.083 0.591 1.00 0.00 C ATOM 551 C SER A 43 -1.924 6.025 0.894 1.00 0.00 C ATOM 552 O SER A 43 -2.196 4.823 0.864 1.00 0.00 O ATOM 553 CB SER A 43 -4.222 6.852 1.454 1.00 0.00 C ATOM 554 OG SER A 43 -5.374 6.669 0.641 1.00 0.00 O ATOM 0 H SER A 43 -4.306 6.718 -0.987 1.00 0.00 H new ATOM 0 HA SER A 43 -2.553 8.058 0.821 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.073 5.976 2.085 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.372 7.702 2.119 1.00 0.00 H new ATOM 0 HG SER A 43 -6.157 6.521 1.212 1.00 0.00 H new ATOM 560 N VAL A 44 -0.708 6.479 1.164 1.00 0.00 N ATOM 561 CA VAL A 44 0.358 5.584 1.580 1.00 0.00 C ATOM 562 C VAL A 44 0.163 5.211 3.048 1.00 0.00 C ATOM 563 O VAL A 44 0.353 6.029 3.948 1.00 0.00 O ATOM 564 CB VAL A 44 1.760 6.208 1.350 1.00 0.00 C ATOM 565 CG1 VAL A 44 1.821 7.646 1.848 1.00 0.00 C ATOM 566 CG2 VAL A 44 2.849 5.366 2.003 1.00 0.00 C ATOM 0 H VAL A 44 -0.437 7.460 1.102 1.00 0.00 H new ATOM 0 HA VAL A 44 0.309 4.684 0.967 1.00 0.00 H new ATOM 0 HB VAL A 44 1.937 6.221 0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.817 8.051 1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.085 8.247 1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.604 7.671 2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.821 5.827 1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.667 5.304 3.076 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.840 4.364 1.575 1.00 0.00 H new ATOM 576 N LYS A 45 -0.248 3.978 3.280 1.00 0.00 N ATOM 577 CA LYS A 45 -0.575 3.519 4.619 1.00 0.00 C ATOM 578 C LYS A 45 0.419 2.468 5.084 1.00 0.00 C ATOM 579 O LYS A 45 1.075 1.814 4.271 1.00 0.00 O ATOM 580 CB LYS A 45 -1.989 2.932 4.653 1.00 0.00 C ATOM 581 CG LYS A 45 -3.008 3.722 3.847 1.00 0.00 C ATOM 582 CD LYS A 45 -4.054 2.806 3.232 1.00 0.00 C ATOM 583 CE LYS A 45 -5.301 3.574 2.831 1.00 0.00 C ATOM 584 NZ LYS A 45 -6.542 2.876 3.261 1.00 0.00 N ATOM 0 H LYS A 45 -0.364 3.271 2.554 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.525 4.377 5.290 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.956 1.910 4.275 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.324 2.878 5.689 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.496 4.454 4.491 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.500 4.278 3.059 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.635 2.309 2.357 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.320 2.026 3.945 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.272 4.570 3.273 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.314 3.706 1.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.302 3.572 3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.827 2.193 2.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.366 2.374 4.155 1.00 0.00 H new ATOM 598 N CYS A 46 0.522 2.306 6.390 1.00 0.00 N ATOM 599 CA CYS A 46 1.386 1.296 6.966 1.00 0.00 C ATOM 600 C CYS A 46 0.580 0.047 7.289 1.00 0.00 C ATOM 601 O CYS A 46 -0.054 -0.043 8.338 1.00 0.00 O ATOM 602 CB CYS A 46 2.065 1.837 8.226 1.00 0.00 C ATOM 603 SG CYS A 46 3.526 2.873 7.891 1.00 0.00 S ATOM 0 H CYS A 46 0.014 2.866 7.075 1.00 0.00 H new ATOM 0 HA CYS A 46 2.159 1.036 6.243 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.341 2.420 8.795 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.363 0.998 8.855 1.00 0.00 H new ATOM 608 N CYS A 47 0.585 -0.907 6.375 1.00 0.00 N ATOM 609 CA CYS A 47 -0.178 -2.131 6.557 1.00 0.00 C ATOM 610 C CYS A 47 0.742 -3.307 6.854 1.00 0.00 C ATOM 611 O CYS A 47 1.848 -3.397 6.318 1.00 0.00 O ATOM 612 CB CYS A 47 -1.015 -2.432 5.308 1.00 0.00 C ATOM 613 SG CYS A 47 -1.592 -0.953 4.407 1.00 0.00 S ATOM 0 H CYS A 47 1.108 -0.859 5.500 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.844 -1.986 7.407 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.424 -3.047 4.630 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.882 -3.024 5.601 1.00 0.00 H new ATOM 618 N LYS A 48 0.290 -4.202 7.722 1.00 0.00 N ATOM 619 CA LYS A 48 1.002 -5.443 7.968 1.00 0.00 C ATOM 620 C LYS A 48 0.486 -6.503 7.010 1.00 0.00 C ATOM 621 O LYS A 48 -0.373 -7.316 7.358 1.00 0.00 O ATOM 622 CB LYS A 48 0.839 -5.905 9.417 1.00 0.00 C ATOM 623 CG LYS A 48 2.026 -6.709 9.924 1.00 0.00 C ATOM 624 CD LYS A 48 1.593 -8.035 10.524 1.00 0.00 C ATOM 625 CE LYS A 48 2.378 -8.353 11.784 1.00 0.00 C ATOM 626 NZ LYS A 48 3.589 -9.165 11.493 1.00 0.00 N ATOM 0 H LYS A 48 -0.566 -4.090 8.266 1.00 0.00 H new ATOM 0 HA LYS A 48 2.066 -5.278 7.801 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.698 -5.033 10.056 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.064 -6.510 9.500 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.720 -6.891 9.103 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.564 -6.129 10.674 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.528 -8.002 10.755 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.736 -8.831 9.793 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.673 -7.424 12.272 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.739 -8.892 12.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.532 -10.069 12.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.647 -9.348 10.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.437 -8.646 11.800 1.00 0.00 H new ATOM 640 N ASP A 49 1.000 -6.463 5.791 1.00 0.00 N ATOM 641 CA ASP A 49 0.542 -7.343 4.727 1.00 0.00 C ATOM 642 C ASP A 49 0.877 -8.797 5.032 1.00 0.00 C ATOM 643 O ASP A 49 1.821 -9.099 5.766 1.00 0.00 O ATOM 644 CB ASP A 49 1.164 -6.920 3.396 1.00 0.00 C ATOM 645 CG ASP A 49 0.559 -7.630 2.200 1.00 0.00 C ATOM 646 OD1 ASP A 49 -0.480 -8.309 2.359 1.00 0.00 O ATOM 647 OD2 ASP A 49 1.125 -7.514 1.096 1.00 0.00 O ATOM 0 H ASP A 49 1.743 -5.823 5.512 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.542 -7.259 4.657 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.042 -5.844 3.271 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.235 -7.118 3.424 1.00 0.00 H new ATOM 652 N ASP A 50 0.081 -9.685 4.479 1.00 0.00 N ATOM 653 CA ASP A 50 0.272 -11.110 4.648 1.00 0.00 C ATOM 654 C ASP A 50 0.903 -11.694 3.395 1.00 0.00 C ATOM 655 O ASP A 50 1.398 -12.821 3.402 1.00 0.00 O ATOM 656 CB ASP A 50 -1.068 -11.785 4.928 1.00 0.00 C ATOM 657 CG ASP A 50 -0.912 -13.143 5.577 1.00 0.00 C ATOM 658 OD1 ASP A 50 -0.201 -13.238 6.601 1.00 0.00 O ATOM 659 OD2 ASP A 50 -1.512 -14.118 5.076 1.00 0.00 O ATOM 0 H ASP A 50 -0.720 -9.439 3.897 1.00 0.00 H new ATOM 0 HA ASP A 50 0.936 -11.286 5.494 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.665 -11.143 5.576 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.618 -11.894 3.993 1.00 0.00 H new ATOM 664 N VAL A 51 0.879 -10.900 2.323 1.00 0.00 N ATOM 665 CA VAL A 51 1.437 -11.285 1.026 1.00 0.00 C ATOM 666 C VAL A 51 0.830 -12.602 0.536 1.00 0.00 C ATOM 667 O VAL A 51 1.472 -13.386 -0.168 1.00 0.00 O ATOM 668 CB VAL A 51 2.986 -11.396 1.053 1.00 0.00 C ATOM 669 CG1 VAL A 51 3.563 -11.188 -0.342 1.00 0.00 C ATOM 670 CG2 VAL A 51 3.592 -10.391 2.025 1.00 0.00 C ATOM 0 H VAL A 51 0.469 -9.966 2.331 1.00 0.00 H new ATOM 0 HA VAL A 51 1.175 -10.488 0.330 1.00 0.00 H new ATOM 0 HB VAL A 51 3.242 -12.399 1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.649 -11.269 -0.302 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.167 -11.947 -1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.286 -10.199 -0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.677 -10.492 2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.321 -9.380 1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.212 -10.581 3.029 1.00 0.00 H new ATOM 680 N THR A 52 -0.417 -12.840 0.918 1.00 0.00 N ATOM 681 CA THR A 52 -1.142 -14.013 0.465 1.00 0.00 C ATOM 682 C THR A 52 -1.852 -13.710 -0.845 1.00 0.00 C ATOM 683 O THR A 52 -2.510 -14.570 -1.433 1.00 0.00 O ATOM 684 CB THR A 52 -2.161 -14.475 1.515 1.00 0.00 C ATOM 685 OG1 THR A 52 -2.231 -13.515 2.580 1.00 0.00 O ATOM 686 CG2 THR A 52 -1.778 -15.837 2.074 1.00 0.00 C ATOM 0 H THR A 52 -0.947 -12.232 1.543 1.00 0.00 H new ATOM 0 HA THR A 52 -0.423 -14.817 0.311 1.00 0.00 H new ATOM 0 HB THR A 52 -3.137 -14.559 1.037 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.957 -13.938 3.420 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.514 -16.146 2.817 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.750 -16.567 1.265 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.795 -15.775 2.541 1.00 0.00 H new ATOM 694 N ASN A 53 -1.720 -12.468 -1.283 1.00 0.00 N ATOM 695 CA ASN A 53 -2.215 -12.053 -2.579 1.00 0.00 C ATOM 696 C ASN A 53 -1.033 -11.895 -3.520 1.00 0.00 C ATOM 697 O ASN A 53 -0.217 -10.988 -3.353 1.00 0.00 O ATOM 698 CB ASN A 53 -2.989 -10.737 -2.464 1.00 0.00 C ATOM 699 CG ASN A 53 -4.329 -10.783 -3.175 1.00 0.00 C ATOM 700 OD1 ASN A 53 -4.434 -11.281 -4.295 1.00 0.00 O ATOM 701 ND2 ASN A 53 -5.361 -10.261 -2.531 1.00 0.00 N ATOM 0 H ASN A 53 -1.268 -11.725 -0.750 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.899 -12.807 -2.969 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.149 -10.505 -1.411 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -2.388 -9.929 -2.881 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.285 -10.262 -2.963 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.232 -9.858 -1.603 1.00 0.00 H new ATOM 708 N THR A 54 -0.925 -12.789 -4.488 1.00 0.00 N ATOM 709 CA THR A 54 0.226 -12.815 -5.376 1.00 0.00 C ATOM 710 C THR A 54 0.117 -11.753 -6.466 1.00 0.00 C ATOM 711 O THR A 54 -0.067 -12.064 -7.643 1.00 0.00 O ATOM 712 CB THR A 54 0.378 -14.205 -6.017 1.00 0.00 C ATOM 713 OG1 THR A 54 -0.408 -15.158 -5.282 1.00 0.00 O ATOM 714 CG2 THR A 54 1.836 -14.642 -6.027 1.00 0.00 C ATOM 0 H THR A 54 -1.622 -13.508 -4.680 1.00 0.00 H new ATOM 0 HA THR A 54 1.109 -12.596 -4.775 1.00 0.00 H new ATOM 0 HB THR A 54 0.029 -14.153 -7.048 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.314 -16.044 -5.690 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.917 -15.628 -6.485 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.426 -13.926 -6.599 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.210 -14.685 -5.004 1.00 0.00 H new ATOM 722 N GLY A 55 0.234 -10.500 -6.057 1.00 0.00 N ATOM 723 CA GLY A 55 0.162 -9.400 -6.988 1.00 0.00 C ATOM 724 C GLY A 55 1.528 -8.826 -7.285 1.00 0.00 C ATOM 725 O GLY A 55 2.358 -8.682 -6.386 1.00 0.00 O ATOM 0 H GLY A 55 0.379 -10.226 -5.085 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.300 -9.739 -7.916 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.479 -8.619 -6.579 1.00 0.00 H new ATOM 729 N ASN A 56 1.766 -8.499 -8.543 1.00 0.00 N ATOM 730 CA ASN A 56 3.043 -7.936 -8.952 1.00 0.00 C ATOM 731 C ASN A 56 2.926 -6.427 -9.116 1.00 0.00 C ATOM 732 O ASN A 56 3.727 -5.670 -8.572 1.00 0.00 O ATOM 733 CB ASN A 56 3.523 -8.571 -10.258 1.00 0.00 C ATOM 734 CG ASN A 56 5.012 -8.386 -10.479 1.00 0.00 C ATOM 735 OD1 ASN A 56 5.468 -7.309 -10.863 1.00 0.00 O ATOM 736 ND2 ASN A 56 5.785 -9.436 -10.245 1.00 0.00 N ATOM 0 H ASN A 56 1.092 -8.613 -9.300 1.00 0.00 H new ATOM 0 HA ASN A 56 3.776 -8.152 -8.174 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.290 -9.636 -10.248 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.977 -8.133 -11.094 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.793 -9.368 -10.382 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.372 -10.313 -9.928 1.00 0.00 H new ATOM 743 N SER A 57 1.906 -5.998 -9.850 1.00 0.00 N ATOM 744 CA SER A 57 1.685 -4.579 -10.102 1.00 0.00 C ATOM 745 C SER A 57 0.524 -4.049 -9.265 1.00 0.00 C ATOM 746 O SER A 57 0.210 -2.858 -9.297 1.00 0.00 O ATOM 747 CB SER A 57 1.404 -4.356 -11.587 1.00 0.00 C ATOM 748 OG SER A 57 1.430 -5.583 -12.301 1.00 0.00 O ATOM 0 H SER A 57 1.217 -6.614 -10.282 1.00 0.00 H new ATOM 0 HA SER A 57 2.585 -4.034 -9.817 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.431 -3.881 -11.709 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.146 -3.674 -12.002 1.00 0.00 H new ATOM 0 HG SER A 57 1.246 -5.414 -13.249 1.00 0.00 H new ATOM 754 N PHE A 58 -0.110 -4.945 -8.519 1.00 0.00 N ATOM 755 CA PHE A 58 -1.247 -4.585 -7.687 1.00 0.00 C ATOM 756 C PHE A 58 -1.404 -5.581 -6.550 1.00 0.00 C ATOM 757 O PHE A 58 -1.408 -6.791 -6.773 1.00 0.00 O ATOM 758 CB PHE A 58 -2.527 -4.557 -8.525 1.00 0.00 C ATOM 759 CG PHE A 58 -3.410 -3.381 -8.237 1.00 0.00 C ATOM 760 CD1 PHE A 58 -2.888 -2.100 -8.207 1.00 0.00 C ATOM 761 CD2 PHE A 58 -4.764 -3.559 -8.004 1.00 0.00 C ATOM 762 CE1 PHE A 58 -3.701 -1.015 -7.946 1.00 0.00 C ATOM 763 CE2 PHE A 58 -5.582 -2.478 -7.742 1.00 0.00 C ATOM 764 CZ PHE A 58 -5.050 -1.203 -7.716 1.00 0.00 C ATOM 0 H PHE A 58 0.147 -5.931 -8.475 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.070 -3.593 -7.270 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.259 -4.549 -9.581 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.088 -5.474 -8.346 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.835 -1.947 -8.389 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.184 -4.554 -8.028 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.282 -0.020 -7.922 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.635 -2.629 -7.558 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.688 -0.355 -7.516 1.00 0.00 H new ATOM 774 N LEU A 59 -1.515 -5.071 -5.336 1.00 0.00 N ATOM 775 CA LEU A 59 -1.754 -5.908 -4.172 1.00 0.00 C ATOM 776 C LEU A 59 -3.001 -5.430 -3.445 1.00 0.00 C ATOM 777 O LEU A 59 -3.151 -4.238 -3.176 1.00 0.00 O ATOM 778 CB LEU A 59 -0.551 -5.875 -3.225 1.00 0.00 C ATOM 779 CG LEU A 59 0.659 -6.691 -3.678 1.00 0.00 C ATOM 780 CD1 LEU A 59 1.880 -5.798 -3.823 1.00 0.00 C ATOM 781 CD2 LEU A 59 0.938 -7.822 -2.700 1.00 0.00 C ATOM 0 H LEU A 59 -1.443 -4.075 -5.129 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.900 -6.935 -4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.241 -4.838 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.869 -6.239 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 59 0.434 -7.127 -4.651 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.732 -6.396 -4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.679 -5.024 -4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.106 -5.333 -2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.803 -8.392 -3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.141 -7.407 -1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.070 -8.479 -2.646 1.00 0.00 H new ATOM 793 N ILE A 60 -3.905 -6.346 -3.150 1.00 0.00 N ATOM 794 CA ILE A 60 -5.132 -5.993 -2.458 1.00 0.00 C ATOM 795 C ILE A 60 -5.048 -6.391 -0.993 1.00 0.00 C ATOM 796 O ILE A 60 -5.072 -7.576 -0.650 1.00 0.00 O ATOM 797 CB ILE A 60 -6.368 -6.640 -3.118 1.00 0.00 C ATOM 798 CG1 ILE A 60 -6.402 -6.301 -4.613 1.00 0.00 C ATOM 799 CG2 ILE A 60 -7.644 -6.170 -2.430 1.00 0.00 C ATOM 800 CD1 ILE A 60 -7.518 -6.986 -5.375 1.00 0.00 C ATOM 0 H ILE A 60 -3.814 -7.336 -3.377 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.248 -4.911 -2.528 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.301 -7.722 -3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.506 -5.222 -4.728 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.447 -6.578 -5.060 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.507 -6.635 -2.907 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.615 -6.452 -1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.724 -5.086 -2.513 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.474 -6.695 -6.425 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.404 -8.067 -5.293 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.480 -6.690 -4.956 1.00 0.00 H new ATOM 812 N ILE A 61 -4.932 -5.388 -0.140 1.00 0.00 N ATOM 813 CA ILE A 61 -4.779 -5.597 1.290 1.00 0.00 C ATOM 814 C ILE A 61 -6.072 -5.225 2.012 1.00 0.00 C ATOM 815 O ILE A 61 -6.760 -4.283 1.620 1.00 0.00 O ATOM 816 CB ILE A 61 -3.590 -4.767 1.842 1.00 0.00 C ATOM 817 CG1 ILE A 61 -2.267 -5.329 1.319 1.00 0.00 C ATOM 818 CG2 ILE A 61 -3.584 -4.751 3.366 1.00 0.00 C ATOM 819 CD1 ILE A 61 -1.773 -4.652 0.059 1.00 0.00 C ATOM 0 H ILE A 61 -4.941 -4.407 -0.418 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.567 -6.651 1.468 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.708 -3.741 1.494 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.508 -5.230 2.095 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.387 -6.395 1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.739 -4.161 3.720 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.512 -4.309 3.729 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.497 -5.771 3.740 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.831 -5.104 -0.251 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.512 -4.773 -0.733 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.620 -3.590 0.253 1.00 0.00 H new ATOM 831 N ASN A 62 -6.412 -5.976 3.050 1.00 0.00 N ATOM 832 CA ASN A 62 -7.659 -5.759 3.771 1.00 0.00 C ATOM 833 C ASN A 62 -7.503 -4.686 4.846 1.00 0.00 C ATOM 834 O ASN A 62 -6.389 -4.338 5.248 1.00 0.00 O ATOM 835 CB ASN A 62 -8.149 -7.068 4.392 1.00 0.00 C ATOM 836 CG ASN A 62 -9.653 -7.214 4.287 1.00 0.00 C ATOM 837 OD1 ASN A 62 -10.393 -6.278 4.582 1.00 0.00 O ATOM 838 ND2 ASN A 62 -10.114 -8.378 3.858 1.00 0.00 N ATOM 0 H ASN A 62 -5.842 -6.741 3.412 1.00 0.00 H new ATOM 0 HA ASN A 62 -8.402 -5.407 3.055 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -7.667 -7.909 3.894 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -7.853 -7.106 5.440 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -11.119 -8.524 3.761 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -9.464 -9.129 3.624 1.00 0.00 H new ATOM 845 N ALA A 63 -8.633 -4.179 5.326 1.00 0.00 N ATOM 846 CA ALA A 63 -8.645 -3.086 6.292 1.00 0.00 C ATOM 847 C ALA A 63 -8.502 -3.594 7.725 1.00 0.00 C ATOM 848 O ALA A 63 -8.792 -2.872 8.680 1.00 0.00 O ATOM 849 CB ALA A 63 -9.923 -2.275 6.146 1.00 0.00 C ATOM 0 H ALA A 63 -9.560 -4.511 5.059 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.786 -2.448 6.083 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.923 -1.461 6.871 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.979 -1.863 5.139 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.785 -2.919 6.323 1.00 0.00 H new ATOM 855 N ALA A 64 -8.068 -4.837 7.873 1.00 0.00 N ATOM 856 CA ALA A 64 -7.820 -5.400 9.191 1.00 0.00 C ATOM 857 C ALA A 64 -6.325 -5.428 9.482 1.00 0.00 C ATOM 858 O ALA A 64 -5.884 -5.042 10.562 1.00 0.00 O ATOM 859 CB ALA A 64 -8.411 -6.797 9.303 1.00 0.00 C ATOM 0 H ALA A 64 -7.881 -5.473 7.098 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.307 -4.766 9.931 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.213 -7.197 10.297 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.488 -6.751 9.138 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.957 -7.445 8.554 1.00 0.00 H new ATOM 865 N ASN A 65 -5.547 -5.872 8.504 1.00 0.00 N ATOM 866 CA ASN A 65 -4.097 -5.926 8.652 1.00 0.00 C ATOM 867 C ASN A 65 -3.466 -4.589 8.274 1.00 0.00 C ATOM 868 O ASN A 65 -2.328 -4.300 8.641 1.00 0.00 O ATOM 869 CB ASN A 65 -3.495 -7.069 7.823 1.00 0.00 C ATOM 870 CG ASN A 65 -3.877 -7.026 6.355 1.00 0.00 C ATOM 871 OD1 ASN A 65 -5.028 -6.775 6.001 1.00 0.00 O ATOM 872 ND2 ASN A 65 -2.908 -7.280 5.491 1.00 0.00 N ATOM 0 H ASN A 65 -5.893 -6.199 7.602 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.875 -6.125 9.700 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.409 -7.034 7.908 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.817 -8.021 8.245 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.102 -7.272 4.490 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.966 -7.484 5.826 1.00 0.00 H new ATOM 879 N CYS A 66 -4.204 -3.777 7.528 1.00 0.00 N ATOM 880 CA CYS A 66 -3.800 -2.400 7.284 1.00 0.00 C ATOM 881 C CYS A 66 -4.529 -1.491 8.264 1.00 0.00 C ATOM 882 O CYS A 66 -5.731 -1.642 8.478 1.00 0.00 O ATOM 883 CB CYS A 66 -4.093 -1.986 5.838 1.00 0.00 C ATOM 884 SG CYS A 66 -3.311 -0.411 5.348 1.00 0.00 S ATOM 0 H CYS A 66 -5.081 -4.047 7.084 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.724 -2.311 7.434 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -3.750 -2.775 5.168 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.172 -1.902 5.706 1.00 0.00 H new ATOM 889 N VAL A 67 -3.806 -0.560 8.867 1.00 0.00 N ATOM 890 CA VAL A 67 -4.368 0.262 9.931 1.00 0.00 C ATOM 891 C VAL A 67 -4.673 1.681 9.455 1.00 0.00 C ATOM 892 O VAL A 67 -4.448 2.650 10.180 1.00 0.00 O ATOM 893 CB VAL A 67 -3.424 0.318 11.153 1.00 0.00 C ATOM 894 CG1 VAL A 67 -3.483 -0.987 11.932 1.00 0.00 C ATOM 895 CG2 VAL A 67 -1.997 0.622 10.725 1.00 0.00 C ATOM 0 H VAL A 67 -2.833 -0.354 8.640 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.305 -0.210 10.226 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.760 1.125 11.804 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.812 -0.930 12.789 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.502 -1.158 12.280 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.177 -1.810 11.286 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.353 0.656 11.604 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.646 -0.157 10.048 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.967 1.585 10.216 1.00 0.00 H new ATOM 905 N ALA A 68 -5.187 1.801 8.234 1.00 0.00 N ATOM 906 CA ALA A 68 -5.552 3.100 7.685 1.00 0.00 C ATOM 907 C ALA A 68 -6.529 2.935 6.528 1.00 0.00 C ATOM 908 O ALA A 68 -7.389 3.816 6.343 1.00 0.00 O ATOM 909 CB ALA A 68 -4.314 3.861 7.232 1.00 0.00 C ATOM 910 OXT ALA A 68 -6.426 1.926 5.798 1.00 0.00 O ATOM 0 H ALA A 68 -5.359 1.014 7.608 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.040 3.677 8.470 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.610 4.828 6.825 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.649 4.013 8.082 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.795 3.288 6.464 1.00 0.00 H new TER 916 ALA A 68