USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 441 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 15 TYR OH : rot -3:sc= 0.248 USER MOD Set 1.2: A 65 ASN : amide:sc= 0.244 K(o=0.49,f=-0.026) USER MOD Single : A 1 SER N :NH3+ 153:sc= 0.339 (180deg=0.017) USER MOD Single : A 1 SER OG : rot 180:sc= 0.147 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0268 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0943 USER MOD Single : A 8 ASN : amide:sc= -0.0914 X(o=-0.091,f=-0.091) USER MOD Single : A 9 THR OG1 : rot -77:sc= 0.689 USER MOD Single : A 11 SER OG : rot 180:sc= -0.216 USER MOD Single : A 16 LYS NZ :NH3+ -122:sc= 1.79 (180deg=-0.188) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 22 SER OG : rot -91:sc= 0.666 USER MOD Single : A 23 MET CE :methyl -161:sc= -0.0173 (180deg=-0.238) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0823 USER MOD Single : A 26 SER OG : rot -170:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -160:sc= -0.335 USER MOD Single : A 39 GLN : amide:sc= -0.179 K(o=-0.18,f=-1.7!) USER MOD Single : A 43 SER OG : rot 80:sc= 0.721 USER MOD Single : A 45 LYS NZ :NH3+ -176:sc= 1.19 (180deg=1.04) USER MOD Single : A 48 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.108) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 53 ASN : amide:sc= -0.135 X(o=-0.13,f=-0.56) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0.124 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 14.721 7.957 5.162 1.00 0.00 N ATOM 2 CA SER A 1 13.875 6.946 4.496 1.00 0.00 C ATOM 3 C SER A 1 13.362 7.481 3.165 1.00 0.00 C ATOM 4 O SER A 1 12.711 8.524 3.118 1.00 0.00 O ATOM 5 CB SER A 1 12.709 6.575 5.411 1.00 0.00 C ATOM 6 OG SER A 1 13.048 6.780 6.776 1.00 0.00 O ATOM 0 H1 SER A 1 14.690 7.812 6.191 1.00 0.00 H new ATOM 0 H2 SER A 1 15.702 7.863 4.829 1.00 0.00 H new ATOM 0 H3 SER A 1 14.368 8.909 4.935 1.00 0.00 H new ATOM 0 HA SER A 1 14.468 6.053 4.298 1.00 0.00 H new ATOM 0 HB2 SER A 1 11.836 7.175 5.155 1.00 0.00 H new ATOM 0 HB3 SER A 1 12.436 5.532 5.253 1.00 0.00 H new ATOM 0 HG SER A 1 12.286 6.537 7.342 1.00 0.00 H new ATOM 14 N ALA A 2 13.676 6.773 2.084 1.00 0.00 N ATOM 15 CA ALA A 2 13.286 7.197 0.746 1.00 0.00 C ATOM 16 C ALA A 2 13.336 6.023 -0.228 1.00 0.00 C ATOM 17 O ALA A 2 14.131 6.014 -1.168 1.00 0.00 O ATOM 18 CB ALA A 2 14.187 8.328 0.265 1.00 0.00 C ATOM 0 H ALA A 2 14.202 5.899 2.111 1.00 0.00 H new ATOM 0 HA ALA A 2 12.260 7.563 0.787 1.00 0.00 H new ATOM 0 HB1 ALA A 2 13.884 8.634 -0.736 1.00 0.00 H new ATOM 0 HB2 ALA A 2 14.102 9.175 0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 2 15.221 7.984 0.241 1.00 0.00 H new ATOM 24 N THR A 3 12.495 5.028 0.003 1.00 0.00 N ATOM 25 CA THR A 3 12.462 3.851 -0.855 1.00 0.00 C ATOM 26 C THR A 3 11.660 4.128 -2.123 1.00 0.00 C ATOM 27 O THR A 3 10.568 4.688 -2.060 1.00 0.00 O ATOM 28 CB THR A 3 11.847 2.649 -0.116 1.00 0.00 C ATOM 29 OG1 THR A 3 11.834 2.897 1.297 1.00 0.00 O ATOM 30 CG2 THR A 3 12.627 1.377 -0.410 1.00 0.00 C ATOM 0 H THR A 3 11.828 5.010 0.774 1.00 0.00 H new ATOM 0 HA THR A 3 13.491 3.613 -1.126 1.00 0.00 H new ATOM 0 HB THR A 3 10.824 2.516 -0.469 1.00 0.00 H new ATOM 0 HG1 THR A 3 11.440 2.129 1.760 1.00 0.00 H new ATOM 0 HG21 THR A 3 12.174 0.541 0.123 1.00 0.00 H new ATOM 0 HG22 THR A 3 12.607 1.178 -1.481 1.00 0.00 H new ATOM 0 HG23 THR A 3 13.659 1.499 -0.083 1.00 0.00 H new ATOM 38 N THR A 4 12.203 3.743 -3.269 1.00 0.00 N ATOM 39 CA THR A 4 11.527 3.954 -4.539 1.00 0.00 C ATOM 40 C THR A 4 10.442 2.903 -4.748 1.00 0.00 C ATOM 41 O THR A 4 10.712 1.700 -4.736 1.00 0.00 O ATOM 42 CB THR A 4 12.525 3.909 -5.707 1.00 0.00 C ATOM 43 OG1 THR A 4 13.867 3.956 -5.194 1.00 0.00 O ATOM 44 CG2 THR A 4 12.291 5.075 -6.659 1.00 0.00 C ATOM 0 H THR A 4 13.110 3.283 -3.344 1.00 0.00 H new ATOM 0 HA THR A 4 11.066 4.942 -4.512 1.00 0.00 H new ATOM 0 HB THR A 4 12.378 2.981 -6.259 1.00 0.00 H new ATOM 0 HG1 THR A 4 14.503 3.926 -5.939 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.008 5.025 -7.479 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.278 5.021 -7.059 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.419 6.015 -6.122 1.00 0.00 H new ATOM 52 N ILE A 5 9.215 3.371 -4.925 1.00 0.00 N ATOM 53 CA ILE A 5 8.056 2.493 -4.995 1.00 0.00 C ATOM 54 C ILE A 5 7.724 2.081 -6.427 1.00 0.00 C ATOM 55 O ILE A 5 7.935 2.840 -7.378 1.00 0.00 O ATOM 56 CB ILE A 5 6.812 3.163 -4.377 1.00 0.00 C ATOM 57 CG1 ILE A 5 7.171 3.882 -3.079 1.00 0.00 C ATOM 58 CG2 ILE A 5 5.726 2.131 -4.125 1.00 0.00 C ATOM 59 CD1 ILE A 5 6.330 5.113 -2.820 1.00 0.00 C ATOM 0 H ILE A 5 8.996 4.362 -5.023 1.00 0.00 H new ATOM 0 HA ILE A 5 8.321 1.601 -4.427 1.00 0.00 H new ATOM 0 HB ILE A 5 6.436 3.902 -5.085 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.055 3.190 -2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.222 4.169 -3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.854 2.619 -3.689 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.445 1.661 -5.067 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.098 1.371 -3.438 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.639 5.574 -1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.465 5.824 -3.635 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.280 4.829 -2.756 1.00 0.00 H new ATOM 71 N GLY A 6 7.209 0.866 -6.555 1.00 0.00 N ATOM 72 CA GLY A 6 6.688 0.379 -7.812 1.00 0.00 C ATOM 73 C GLY A 6 5.584 -0.632 -7.569 1.00 0.00 C ATOM 74 O GLY A 6 5.529 -1.218 -6.486 1.00 0.00 O ATOM 0 H GLY A 6 7.143 0.196 -5.789 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.304 1.212 -8.401 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.489 -0.080 -8.392 1.00 0.00 H new ATOM 78 N PRO A 7 4.676 -0.847 -8.539 1.00 0.00 N ATOM 79 CA PRO A 7 3.577 -1.815 -8.403 1.00 0.00 C ATOM 80 C PRO A 7 4.085 -3.221 -8.101 1.00 0.00 C ATOM 81 O PRO A 7 3.452 -3.984 -7.369 1.00 0.00 O ATOM 82 CB PRO A 7 2.876 -1.777 -9.768 1.00 0.00 C ATOM 83 CG PRO A 7 3.844 -1.114 -10.688 1.00 0.00 C ATOM 84 CD PRO A 7 4.633 -0.164 -9.836 1.00 0.00 C ATOM 0 HA PRO A 7 2.917 -1.562 -7.573 1.00 0.00 H new ATOM 0 HB2 PRO A 7 2.631 -2.782 -10.112 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.940 -1.221 -9.714 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.496 -1.847 -11.163 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.325 -0.584 -11.486 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.632 0.004 -10.237 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.150 0.811 -9.764 1.00 0.00 H new ATOM 92 N ASN A 8 5.246 -3.553 -8.654 1.00 0.00 N ATOM 93 CA ASN A 8 5.871 -4.843 -8.400 1.00 0.00 C ATOM 94 C ASN A 8 6.608 -4.817 -7.065 1.00 0.00 C ATOM 95 O ASN A 8 7.832 -4.930 -7.005 1.00 0.00 O ATOM 96 CB ASN A 8 6.833 -5.206 -9.532 1.00 0.00 C ATOM 97 CG ASN A 8 7.424 -6.595 -9.374 1.00 0.00 C ATOM 98 OD1 ASN A 8 6.699 -7.587 -9.277 1.00 0.00 O ATOM 99 ND2 ASN A 8 8.745 -6.676 -9.353 1.00 0.00 N ATOM 0 H ASN A 8 5.773 -2.945 -9.281 1.00 0.00 H new ATOM 0 HA ASN A 8 5.091 -5.603 -8.355 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.306 -5.146 -10.484 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.640 -4.474 -9.567 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.199 -7.584 -9.254 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.309 -5.830 -9.436 1.00 0.00 H new ATOM 106 N THR A 9 5.856 -4.607 -6.001 1.00 0.00 N ATOM 107 CA THR A 9 6.403 -4.645 -4.659 1.00 0.00 C ATOM 108 C THR A 9 6.068 -5.974 -3.995 1.00 0.00 C ATOM 109 O THR A 9 6.939 -6.650 -3.444 1.00 0.00 O ATOM 110 CB THR A 9 5.839 -3.495 -3.814 1.00 0.00 C ATOM 111 OG1 THR A 9 4.724 -2.912 -4.498 1.00 0.00 O ATOM 112 CG2 THR A 9 6.893 -2.428 -3.557 1.00 0.00 C ATOM 0 H THR A 9 4.857 -4.407 -6.042 1.00 0.00 H new ATOM 0 HA THR A 9 7.485 -4.536 -4.727 1.00 0.00 H new ATOM 0 HB THR A 9 5.523 -3.897 -2.851 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.049 -2.336 -5.221 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.461 -1.628 -2.956 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.735 -2.869 -3.023 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.239 -2.022 -4.508 1.00 0.00 H new ATOM 120 N CYS A 10 4.799 -6.345 -4.059 1.00 0.00 N ATOM 121 CA CYS A 10 4.341 -7.602 -3.496 1.00 0.00 C ATOM 122 C CYS A 10 3.654 -8.439 -4.570 1.00 0.00 C ATOM 123 O CYS A 10 3.114 -7.903 -5.539 1.00 0.00 O ATOM 124 CB CYS A 10 3.400 -7.346 -2.318 1.00 0.00 C ATOM 125 SG CYS A 10 4.245 -7.289 -0.704 1.00 0.00 S ATOM 0 H CYS A 10 4.065 -5.789 -4.498 1.00 0.00 H new ATOM 0 HA CYS A 10 5.202 -8.158 -3.127 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.879 -6.402 -2.479 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.642 -8.128 -2.294 1.00 0.00 H new ATOM 130 N SER A 11 3.688 -9.753 -4.399 1.00 0.00 N ATOM 131 CA SER A 11 3.189 -10.686 -5.400 1.00 0.00 C ATOM 132 C SER A 11 2.718 -11.957 -4.709 1.00 0.00 C ATOM 133 O SER A 11 2.603 -13.020 -5.318 1.00 0.00 O ATOM 134 CB SER A 11 4.283 -11.009 -6.423 1.00 0.00 C ATOM 135 OG SER A 11 5.079 -9.866 -6.700 1.00 0.00 O ATOM 0 H SER A 11 4.062 -10.202 -3.563 1.00 0.00 H new ATOM 0 HA SER A 11 2.352 -10.232 -5.931 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.914 -11.812 -6.043 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.828 -11.371 -7.345 1.00 0.00 H new ATOM 0 HG SER A 11 5.770 -10.100 -7.354 1.00 0.00 H new ATOM 141 N ILE A 12 2.467 -11.830 -3.418 1.00 0.00 N ATOM 142 CA ILE A 12 1.947 -12.926 -2.621 1.00 0.00 C ATOM 143 C ILE A 12 0.454 -13.047 -2.854 1.00 0.00 C ATOM 144 O ILE A 12 -0.025 -13.958 -3.528 1.00 0.00 O ATOM 145 CB ILE A 12 2.195 -12.699 -1.113 1.00 0.00 C ATOM 146 CG1 ILE A 12 2.778 -11.303 -0.859 1.00 0.00 C ATOM 147 CG2 ILE A 12 3.118 -13.768 -0.568 1.00 0.00 C ATOM 148 CD1 ILE A 12 3.072 -11.012 0.598 1.00 0.00 C ATOM 0 H ILE A 12 2.617 -10.968 -2.895 1.00 0.00 H new ATOM 0 HA ILE A 12 2.463 -13.837 -2.924 1.00 0.00 H new ATOM 0 HB ILE A 12 1.239 -12.765 -0.594 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.698 -11.195 -1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.079 -10.555 -1.234 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.285 -13.597 0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.664 -14.748 -0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.071 -13.729 -1.096 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.481 -10.006 0.693 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.151 -11.085 1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.796 -11.735 0.975 1.00 0.00 H new ATOM 160 N ASP A 13 -0.266 -12.115 -2.274 1.00 0.00 N ATOM 161 CA ASP A 13 -1.682 -11.959 -2.522 1.00 0.00 C ATOM 162 C ASP A 13 -1.871 -10.809 -3.500 1.00 0.00 C ATOM 163 O ASP A 13 -0.941 -10.462 -4.229 1.00 0.00 O ATOM 164 CB ASP A 13 -2.390 -11.665 -1.204 1.00 0.00 C ATOM 165 CG ASP A 13 -3.859 -12.038 -1.219 1.00 0.00 C ATOM 166 OD1 ASP A 13 -4.179 -13.241 -1.160 1.00 0.00 O ATOM 167 OD2 ASP A 13 -4.700 -11.122 -1.286 1.00 0.00 O ATOM 0 H ASP A 13 0.116 -11.439 -1.612 1.00 0.00 H new ATOM 0 HA ASP A 13 -2.105 -12.869 -2.947 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.892 -12.210 -0.402 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.294 -10.603 -0.976 1.00 0.00 H new ATOM 172 N ASP A 14 -3.038 -10.192 -3.503 1.00 0.00 N ATOM 173 CA ASP A 14 -3.230 -8.972 -4.273 1.00 0.00 C ATOM 174 C ASP A 14 -2.809 -7.784 -3.421 1.00 0.00 C ATOM 175 O ASP A 14 -3.543 -6.809 -3.257 1.00 0.00 O ATOM 176 CB ASP A 14 -4.681 -8.820 -4.734 1.00 0.00 C ATOM 177 CG ASP A 14 -4.846 -7.699 -5.746 1.00 0.00 C ATOM 178 OD1 ASP A 14 -3.969 -7.545 -6.620 1.00 0.00 O ATOM 179 OD2 ASP A 14 -5.857 -6.964 -5.670 1.00 0.00 O ATOM 0 H ASP A 14 -3.860 -10.509 -2.988 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.615 -9.020 -5.171 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.021 -9.758 -5.174 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.316 -8.624 -3.870 1.00 0.00 H new ATOM 184 N TYR A 15 -1.617 -7.900 -2.853 1.00 0.00 N ATOM 185 CA TYR A 15 -1.093 -6.890 -1.958 1.00 0.00 C ATOM 186 C TYR A 15 -0.370 -5.801 -2.745 1.00 0.00 C ATOM 187 O TYR A 15 0.695 -6.037 -3.315 1.00 0.00 O ATOM 188 CB TYR A 15 -0.157 -7.546 -0.944 1.00 0.00 C ATOM 189 CG TYR A 15 -0.883 -8.204 0.206 1.00 0.00 C ATOM 190 CD1 TYR A 15 -1.920 -7.552 0.854 1.00 0.00 C ATOM 191 CD2 TYR A 15 -0.531 -9.472 0.643 1.00 0.00 C ATOM 192 CE1 TYR A 15 -2.590 -8.143 1.905 1.00 0.00 C ATOM 193 CE2 TYR A 15 -1.199 -10.074 1.695 1.00 0.00 C ATOM 194 CZ TYR A 15 -2.228 -9.401 2.323 1.00 0.00 C ATOM 195 OH TYR A 15 -2.900 -9.992 3.372 1.00 0.00 O ATOM 0 H TYR A 15 -0.993 -8.693 -3.001 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.918 -6.420 -1.423 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.453 -8.292 -1.453 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.525 -6.792 -0.550 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.209 -6.563 0.530 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.277 -9.998 0.155 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.396 -7.619 2.397 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.917 -11.064 2.023 1.00 0.00 H new ATOM 0 HH TYR A 15 -3.565 -9.366 3.729 1.00 0.00 H new ATOM 205 N LYS A 16 -0.964 -4.619 -2.773 1.00 0.00 N ATOM 206 CA LYS A 16 -0.413 -3.497 -3.524 1.00 0.00 C ATOM 207 C LYS A 16 0.437 -2.612 -2.621 1.00 0.00 C ATOM 208 O LYS A 16 0.249 -2.603 -1.401 1.00 0.00 O ATOM 209 CB LYS A 16 -1.534 -2.670 -4.168 1.00 0.00 C ATOM 210 CG LYS A 16 -2.881 -2.816 -3.483 1.00 0.00 C ATOM 211 CD LYS A 16 -4.026 -2.717 -4.476 1.00 0.00 C ATOM 212 CE LYS A 16 -4.195 -4.008 -5.257 1.00 0.00 C ATOM 213 NZ LYS A 16 -5.606 -4.240 -5.663 1.00 0.00 N ATOM 0 H LYS A 16 -1.833 -4.409 -2.282 1.00 0.00 H new ATOM 0 HA LYS A 16 0.220 -3.900 -4.315 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.246 -1.619 -4.160 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.635 -2.965 -5.212 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.926 -3.776 -2.969 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.989 -2.042 -2.723 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.950 -2.487 -3.946 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.841 -1.894 -5.166 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.564 -3.978 -6.145 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.851 -4.845 -4.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.933 -5.150 -5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.204 -3.473 -5.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.670 -4.260 -6.701 1.00 0.00 H new ATOM 227 N PRO A 17 1.393 -1.874 -3.210 1.00 0.00 N ATOM 228 CA PRO A 17 2.282 -0.969 -2.468 1.00 0.00 C ATOM 229 C PRO A 17 1.528 0.137 -1.742 1.00 0.00 C ATOM 230 O PRO A 17 0.726 0.863 -2.338 1.00 0.00 O ATOM 231 CB PRO A 17 3.181 -0.365 -3.553 1.00 0.00 C ATOM 232 CG PRO A 17 2.452 -0.586 -4.833 1.00 0.00 C ATOM 233 CD PRO A 17 1.692 -1.868 -4.654 1.00 0.00 C ATOM 0 HA PRO A 17 2.826 -1.503 -1.689 1.00 0.00 H new ATOM 0 HB2 PRO A 17 3.353 0.697 -3.376 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.158 -0.848 -3.568 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.777 0.242 -5.047 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.145 -0.656 -5.671 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.783 -1.886 -5.255 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.285 -2.734 -4.947 1.00 0.00 H new ATOM 241 N TYR A 18 1.793 0.267 -0.454 1.00 0.00 N ATOM 242 CA TYR A 18 1.146 1.276 0.360 1.00 0.00 C ATOM 243 C TYR A 18 2.139 1.936 1.307 1.00 0.00 C ATOM 244 O TYR A 18 2.896 1.261 2.004 1.00 0.00 O ATOM 245 CB TYR A 18 0.000 0.654 1.155 1.00 0.00 C ATOM 246 CG TYR A 18 -1.292 0.584 0.380 1.00 0.00 C ATOM 247 CD1 TYR A 18 -2.009 1.732 0.084 1.00 0.00 C ATOM 248 CD2 TYR A 18 -1.790 -0.630 -0.061 1.00 0.00 C ATOM 249 CE1 TYR A 18 -3.188 1.673 -0.632 1.00 0.00 C ATOM 250 CE2 TYR A 18 -2.966 -0.701 -0.781 1.00 0.00 C ATOM 251 CZ TYR A 18 -3.662 0.453 -1.061 1.00 0.00 C ATOM 252 OH TYR A 18 -4.834 0.386 -1.780 1.00 0.00 O ATOM 0 H TYR A 18 2.457 -0.319 0.052 1.00 0.00 H new ATOM 0 HA TYR A 18 0.748 2.043 -0.304 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.285 -0.351 1.465 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.160 1.234 2.064 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.639 2.690 0.419 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.249 -1.538 0.162 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.735 2.577 -0.854 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.337 -1.656 -1.122 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.026 -0.548 -2.006 1.00 0.00 H new ATOM 262 N CYS A 19 2.130 3.256 1.326 1.00 0.00 N ATOM 263 CA CYS A 19 2.981 4.014 2.225 1.00 0.00 C ATOM 264 C CYS A 19 2.252 4.248 3.541 1.00 0.00 C ATOM 265 O CYS A 19 1.566 5.257 3.709 1.00 0.00 O ATOM 266 CB CYS A 19 3.376 5.348 1.591 1.00 0.00 C ATOM 267 SG CYS A 19 4.761 5.230 0.414 1.00 0.00 S ATOM 0 H CYS A 19 1.538 3.829 0.724 1.00 0.00 H new ATOM 0 HA CYS A 19 3.891 3.445 2.416 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.510 5.764 1.076 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.644 6.049 2.382 1.00 0.00 H new ATOM 272 N CYS A 20 2.381 3.296 4.451 1.00 0.00 N ATOM 273 CA CYS A 20 1.695 3.352 5.732 1.00 0.00 C ATOM 274 C CYS A 20 2.365 4.353 6.664 1.00 0.00 C ATOM 275 O CYS A 20 3.330 4.028 7.362 1.00 0.00 O ATOM 276 CB CYS A 20 1.663 1.961 6.366 1.00 0.00 C ATOM 277 SG CYS A 20 0.642 0.769 5.442 1.00 0.00 S ATOM 0 H CYS A 20 2.961 2.467 4.324 1.00 0.00 H new ATOM 0 HA CYS A 20 0.671 3.686 5.565 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.681 1.578 6.436 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.282 2.042 7.384 1.00 0.00 H new ATOM 282 N GLN A 21 1.847 5.572 6.667 1.00 0.00 N ATOM 283 CA GLN A 21 2.388 6.633 7.498 1.00 0.00 C ATOM 284 C GLN A 21 1.671 6.679 8.839 1.00 0.00 C ATOM 285 O GLN A 21 0.858 7.570 9.098 1.00 0.00 O ATOM 286 CB GLN A 21 2.267 7.984 6.793 1.00 0.00 C ATOM 287 CG GLN A 21 3.605 8.655 6.554 1.00 0.00 C ATOM 288 CD GLN A 21 3.646 9.431 5.255 1.00 0.00 C ATOM 289 OE1 GLN A 21 3.461 8.874 4.175 1.00 0.00 O ATOM 290 NE2 GLN A 21 3.885 10.726 5.356 1.00 0.00 N ATOM 0 H GLN A 21 1.047 5.851 6.099 1.00 0.00 H new ATOM 0 HA GLN A 21 3.443 6.423 7.672 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.762 7.844 5.837 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.639 8.644 7.391 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.822 9.330 7.382 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.390 7.899 6.545 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.033 11.147 6.273 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.922 11.305 4.517 1.00 0.00 H new ATOM 299 N SER A 22 1.955 5.695 9.675 1.00 0.00 N ATOM 300 CA SER A 22 1.373 5.614 11.003 1.00 0.00 C ATOM 301 C SER A 22 2.339 4.904 11.944 1.00 0.00 C ATOM 302 O SER A 22 3.222 4.172 11.493 1.00 0.00 O ATOM 303 CB SER A 22 0.033 4.874 10.952 1.00 0.00 C ATOM 304 OG SER A 22 -0.724 5.271 9.818 1.00 0.00 O ATOM 0 H SER A 22 2.594 4.932 9.453 1.00 0.00 H new ATOM 0 HA SER A 22 1.193 6.622 11.376 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.208 3.799 10.919 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.533 5.077 11.861 1.00 0.00 H new ATOM 0 HG SER A 22 -1.302 6.025 10.058 1.00 0.00 H new ATOM 310 N MET A 23 2.178 5.127 13.241 1.00 0.00 N ATOM 311 CA MET A 23 3.048 4.505 14.229 1.00 0.00 C ATOM 312 C MET A 23 2.590 3.078 14.507 1.00 0.00 C ATOM 313 O MET A 23 1.468 2.701 14.167 1.00 0.00 O ATOM 314 CB MET A 23 3.062 5.323 15.523 1.00 0.00 C ATOM 315 CG MET A 23 4.459 5.595 16.055 1.00 0.00 C ATOM 316 SD MET A 23 4.579 7.172 16.921 1.00 0.00 S ATOM 317 CE MET A 23 4.489 8.321 15.548 1.00 0.00 C ATOM 0 H MET A 23 1.456 5.732 13.632 1.00 0.00 H new ATOM 0 HA MET A 23 4.062 4.476 13.831 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.557 6.273 15.348 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.489 4.793 16.284 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.749 4.791 16.731 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.167 5.585 15.226 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.879 9.290 15.859 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.082 7.941 14.716 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.451 8.432 15.233 1.00 0.00 H new ATOM 327 N SER A 24 3.459 2.291 15.121 1.00 0.00 N ATOM 328 CA SER A 24 3.149 0.903 15.419 1.00 0.00 C ATOM 329 C SER A 24 2.032 0.811 16.460 1.00 0.00 C ATOM 330 O SER A 24 1.162 -0.057 16.382 1.00 0.00 O ATOM 331 CB SER A 24 4.415 0.196 15.901 1.00 0.00 C ATOM 332 OG SER A 24 5.574 0.875 15.431 1.00 0.00 O ATOM 0 H SER A 24 4.386 2.591 15.423 1.00 0.00 H new ATOM 0 HA SER A 24 2.793 0.409 14.515 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.425 0.158 16.990 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.421 -0.835 15.546 1.00 0.00 H new ATOM 0 HG SER A 24 6.376 0.411 15.749 1.00 0.00 H new ATOM 338 N GLY A 25 2.054 1.717 17.428 1.00 0.00 N ATOM 339 CA GLY A 25 0.993 1.775 18.409 1.00 0.00 C ATOM 340 C GLY A 25 -0.060 2.795 18.028 1.00 0.00 C ATOM 341 O GLY A 25 -0.209 3.822 18.688 1.00 0.00 O ATOM 0 H GLY A 25 2.790 2.413 17.550 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.531 0.792 18.506 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.410 2.028 19.384 1.00 0.00 H new ATOM 345 N SER A 26 -0.777 2.526 16.951 1.00 0.00 N ATOM 346 CA SER A 26 -1.785 3.450 16.458 1.00 0.00 C ATOM 347 C SER A 26 -3.004 2.700 15.927 1.00 0.00 C ATOM 348 O SER A 26 -3.086 1.473 16.031 1.00 0.00 O ATOM 349 CB SER A 26 -1.185 4.333 15.360 1.00 0.00 C ATOM 350 OG SER A 26 -0.112 5.111 15.865 1.00 0.00 O ATOM 0 H SER A 26 -0.680 1.673 16.400 1.00 0.00 H new ATOM 0 HA SER A 26 -2.112 4.078 17.286 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.832 3.709 14.539 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.955 4.989 14.954 1.00 0.00 H new ATOM 0 HG SER A 26 0.152 5.777 15.196 1.00 0.00 H new ATOM 356 N ALA A 27 -3.938 3.446 15.355 1.00 0.00 N ATOM 357 CA ALA A 27 -5.156 2.896 14.818 1.00 0.00 C ATOM 358 C ALA A 27 -5.516 3.658 13.557 1.00 0.00 C ATOM 359 O ALA A 27 -5.340 4.874 13.494 1.00 0.00 O ATOM 360 CB ALA A 27 -6.281 2.975 15.841 1.00 0.00 C ATOM 0 H ALA A 27 -3.863 4.458 15.254 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.009 1.843 14.578 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.191 2.554 15.414 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.003 2.411 16.731 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.455 4.017 16.111 1.00 0.00 H new ATOM 366 N SER A 28 -5.982 2.922 12.564 1.00 0.00 N ATOM 367 CA SER A 28 -6.297 3.467 11.244 1.00 0.00 C ATOM 368 C SER A 28 -5.006 3.768 10.489 1.00 0.00 C ATOM 369 O SER A 28 -4.367 4.803 10.694 1.00 0.00 O ATOM 370 CB SER A 28 -7.173 4.722 11.343 1.00 0.00 C ATOM 371 OG SER A 28 -8.417 4.429 11.963 1.00 0.00 O ATOM 0 H SER A 28 -6.156 1.920 12.646 1.00 0.00 H new ATOM 0 HA SER A 28 -6.868 2.719 10.694 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.651 5.490 11.914 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.346 5.128 10.346 1.00 0.00 H new ATOM 0 HG SER A 28 -8.956 5.245 12.016 1.00 0.00 H new ATOM 377 N LEU A 29 -4.626 2.842 9.627 1.00 0.00 N ATOM 378 CA LEU A 29 -3.360 2.927 8.919 1.00 0.00 C ATOM 379 C LEU A 29 -3.459 3.883 7.739 1.00 0.00 C ATOM 380 O LEU A 29 -4.201 3.640 6.784 1.00 0.00 O ATOM 381 CB LEU A 29 -2.939 1.540 8.432 1.00 0.00 C ATOM 382 CG LEU A 29 -1.768 0.907 9.186 1.00 0.00 C ATOM 383 CD1 LEU A 29 -1.424 -0.450 8.596 1.00 0.00 C ATOM 384 CD2 LEU A 29 -0.556 1.822 9.150 1.00 0.00 C ATOM 0 H LEU A 29 -5.180 2.017 9.399 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.608 3.311 9.609 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.798 0.873 8.503 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.675 1.609 7.377 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.065 0.766 10.225 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.589 -0.885 9.145 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.289 -1.109 8.670 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.147 -0.332 7.549 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.268 1.356 9.691 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.260 1.993 8.115 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.805 2.774 9.618 1.00 0.00 H new ATOM 396 N GLY A 30 -2.705 4.970 7.816 1.00 0.00 N ATOM 397 CA GLY A 30 -2.688 5.950 6.748 1.00 0.00 C ATOM 398 C GLY A 30 -1.765 5.540 5.621 1.00 0.00 C ATOM 399 O GLY A 30 -0.765 6.207 5.349 1.00 0.00 O ATOM 0 H GLY A 30 -2.100 5.192 8.606 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.698 6.082 6.360 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.370 6.914 7.145 1.00 0.00 H new ATOM 403 N CYS A 31 -2.089 4.429 4.984 1.00 0.00 N ATOM 404 CA CYS A 31 -1.312 3.923 3.871 1.00 0.00 C ATOM 405 C CYS A 31 -1.814 4.496 2.549 1.00 0.00 C ATOM 406 O CYS A 31 -2.840 4.069 2.019 1.00 0.00 O ATOM 407 CB CYS A 31 -1.375 2.395 3.841 1.00 0.00 C ATOM 408 SG CYS A 31 -1.206 1.610 5.477 1.00 0.00 S ATOM 0 H CYS A 31 -2.897 3.854 5.224 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.277 4.236 4.005 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.324 2.090 3.400 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.586 2.022 3.188 1.00 0.00 H new ATOM 413 N VAL A 32 -1.099 5.482 2.032 1.00 0.00 N ATOM 414 CA VAL A 32 -1.394 6.023 0.713 1.00 0.00 C ATOM 415 C VAL A 32 -0.807 5.104 -0.349 1.00 0.00 C ATOM 416 O VAL A 32 0.167 4.404 -0.083 1.00 0.00 O ATOM 417 CB VAL A 32 -0.825 7.448 0.520 1.00 0.00 C ATOM 418 CG1 VAL A 32 -1.948 8.474 0.512 1.00 0.00 C ATOM 419 CG2 VAL A 32 0.205 7.784 1.595 1.00 0.00 C ATOM 0 H VAL A 32 -0.311 5.924 2.504 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.478 6.084 0.618 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.320 7.479 -0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.529 9.471 0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.636 8.254 -0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.485 8.433 1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.586 8.792 1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.263 7.728 2.578 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.029 7.072 1.545 1.00 0.00 H new ATOM 429 N VAL A 33 -1.398 5.094 -1.538 1.00 0.00 N ATOM 430 CA VAL A 33 -0.923 4.222 -2.611 1.00 0.00 C ATOM 431 C VAL A 33 0.530 4.539 -2.950 1.00 0.00 C ATOM 432 O VAL A 33 0.907 5.706 -3.076 1.00 0.00 O ATOM 433 CB VAL A 33 -1.793 4.355 -3.884 1.00 0.00 C ATOM 434 CG1 VAL A 33 -1.173 3.606 -5.062 1.00 0.00 C ATOM 435 CG2 VAL A 33 -3.204 3.852 -3.623 1.00 0.00 C ATOM 0 H VAL A 33 -2.200 5.674 -1.785 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.999 3.195 -2.253 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.840 5.413 -4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.809 3.719 -5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.185 4.015 -5.274 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.082 2.549 -4.814 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.800 3.954 -4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.168 2.803 -3.328 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.657 4.438 -2.823 1.00 0.00 H new ATOM 445 N GLY A 34 1.344 3.497 -3.057 1.00 0.00 N ATOM 446 CA GLY A 34 2.737 3.678 -3.400 1.00 0.00 C ATOM 447 C GLY A 34 2.901 4.202 -4.808 1.00 0.00 C ATOM 448 O GLY A 34 2.580 3.513 -5.777 1.00 0.00 O ATOM 0 H GLY A 34 1.061 2.528 -2.911 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.198 4.372 -2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.263 2.728 -3.301 1.00 0.00 H new ATOM 452 N VAL A 35 3.402 5.419 -4.924 1.00 0.00 N ATOM 453 CA VAL A 35 3.539 6.062 -6.218 1.00 0.00 C ATOM 454 C VAL A 35 4.760 5.533 -6.953 1.00 0.00 C ATOM 455 O VAL A 35 5.886 5.609 -6.454 1.00 0.00 O ATOM 456 CB VAL A 35 3.648 7.596 -6.096 1.00 0.00 C ATOM 457 CG1 VAL A 35 3.052 8.271 -7.320 1.00 0.00 C ATOM 458 CG2 VAL A 35 2.966 8.090 -4.829 1.00 0.00 C ATOM 0 H VAL A 35 3.721 5.982 -4.136 1.00 0.00 H new ATOM 0 HA VAL A 35 2.636 5.827 -6.782 1.00 0.00 H new ATOM 0 HB VAL A 35 4.704 7.857 -6.036 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.137 9.353 -7.217 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.589 7.948 -8.212 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.001 7.997 -7.411 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.057 9.174 -4.766 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.912 7.815 -4.852 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.440 7.635 -3.959 1.00 0.00 H new ATOM 468 N ILE A 36 4.518 4.993 -8.136 1.00 0.00 N ATOM 469 CA ILE A 36 5.570 4.417 -8.961 1.00 0.00 C ATOM 470 C ILE A 36 6.637 5.454 -9.293 1.00 0.00 C ATOM 471 O ILE A 36 6.318 6.564 -9.719 1.00 0.00 O ATOM 472 CB ILE A 36 5.001 3.852 -10.280 1.00 0.00 C ATOM 473 CG1 ILE A 36 3.675 3.128 -10.029 1.00 0.00 C ATOM 474 CG2 ILE A 36 6.004 2.917 -10.940 1.00 0.00 C ATOM 475 CD1 ILE A 36 2.518 3.687 -10.824 1.00 0.00 C ATOM 0 H ILE A 36 3.588 4.941 -8.552 1.00 0.00 H new ATOM 0 HA ILE A 36 6.017 3.607 -8.384 1.00 0.00 H new ATOM 0 HB ILE A 36 4.814 4.686 -10.956 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.796 2.073 -10.273 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.436 3.184 -8.967 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.584 2.529 -11.868 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.922 3.463 -11.157 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.225 2.088 -10.268 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.613 3.124 -10.594 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.370 4.735 -10.563 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.735 3.606 -11.889 1.00 0.00 H new ATOM 487 N GLY A 37 7.896 5.097 -9.075 1.00 0.00 N ATOM 488 CA GLY A 37 8.992 5.992 -9.395 1.00 0.00 C ATOM 489 C GLY A 37 9.123 7.125 -8.399 1.00 0.00 C ATOM 490 O GLY A 37 9.771 8.136 -8.671 1.00 0.00 O ATOM 0 H GLY A 37 8.179 4.200 -8.681 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.923 5.426 -9.422 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.841 6.405 -10.392 1.00 0.00 H new ATOM 494 N SER A 38 8.500 6.964 -7.246 1.00 0.00 N ATOM 495 CA SER A 38 8.561 7.967 -6.198 1.00 0.00 C ATOM 496 C SER A 38 9.122 7.354 -4.920 1.00 0.00 C ATOM 497 O SER A 38 9.222 6.130 -4.810 1.00 0.00 O ATOM 498 CB SER A 38 7.171 8.555 -5.961 1.00 0.00 C ATOM 499 OG SER A 38 6.517 8.800 -7.198 1.00 0.00 O ATOM 0 H SER A 38 7.943 6.143 -7.011 1.00 0.00 H new ATOM 0 HA SER A 38 9.226 8.773 -6.507 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.577 7.868 -5.359 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.254 9.484 -5.397 1.00 0.00 H new ATOM 0 HG SER A 38 5.794 9.447 -7.063 1.00 0.00 H new ATOM 505 N GLN A 39 9.490 8.195 -3.965 1.00 0.00 N ATOM 506 CA GLN A 39 10.122 7.726 -2.742 1.00 0.00 C ATOM 507 C GLN A 39 9.125 7.684 -1.593 1.00 0.00 C ATOM 508 O GLN A 39 8.317 8.596 -1.424 1.00 0.00 O ATOM 509 CB GLN A 39 11.300 8.627 -2.364 1.00 0.00 C ATOM 510 CG GLN A 39 12.497 8.493 -3.292 1.00 0.00 C ATOM 511 CD GLN A 39 12.403 9.401 -4.505 1.00 0.00 C ATOM 512 OE1 GLN A 39 11.759 10.449 -4.462 1.00 0.00 O ATOM 513 NE2 GLN A 39 13.047 9.011 -5.592 1.00 0.00 N ATOM 0 H GLN A 39 9.362 9.206 -4.014 1.00 0.00 H new ATOM 0 HA GLN A 39 10.488 6.716 -2.926 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.966 9.665 -2.364 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.613 8.393 -1.346 1.00 0.00 H new ATOM 0 HG2 GLN A 39 13.408 8.725 -2.739 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.580 7.458 -3.624 1.00 0.00 H new ATOM 0 HE21 GLN A 39 13.570 8.135 -5.588 1.00 0.00 H new ATOM 0 HE22 GLN A 39 13.021 9.586 -6.434 1.00 0.00 H new ATOM 522 N CYS A 40 9.182 6.613 -0.823 1.00 0.00 N ATOM 523 CA CYS A 40 8.377 6.482 0.378 1.00 0.00 C ATOM 524 C CYS A 40 9.227 6.785 1.604 1.00 0.00 C ATOM 525 O CYS A 40 10.314 6.224 1.770 1.00 0.00 O ATOM 526 CB CYS A 40 7.796 5.070 0.477 1.00 0.00 C ATOM 527 SG CYS A 40 6.375 4.924 1.608 1.00 0.00 S ATOM 0 H CYS A 40 9.785 5.812 -1.011 1.00 0.00 H new ATOM 0 HA CYS A 40 7.553 7.194 0.330 1.00 0.00 H new ATOM 0 HB2 CYS A 40 7.489 4.745 -0.517 1.00 0.00 H new ATOM 0 HB3 CYS A 40 8.580 4.389 0.807 1.00 0.00 H new ATOM 532 N GLY A 41 8.738 7.676 2.452 1.00 0.00 N ATOM 533 CA GLY A 41 9.483 8.065 3.628 1.00 0.00 C ATOM 534 C GLY A 41 9.015 7.343 4.874 1.00 0.00 C ATOM 535 O GLY A 41 9.554 7.551 5.961 1.00 0.00 O ATOM 0 H GLY A 41 7.835 8.138 2.345 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.541 7.859 3.468 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.386 9.140 3.777 1.00 0.00 H new ATOM 539 N ALA A 42 8.011 6.491 4.720 1.00 0.00 N ATOM 540 CA ALA A 42 7.467 5.754 5.845 1.00 0.00 C ATOM 541 C ALA A 42 7.573 4.251 5.621 1.00 0.00 C ATOM 542 O ALA A 42 8.344 3.785 4.777 1.00 0.00 O ATOM 543 CB ALA A 42 6.022 6.154 6.080 1.00 0.00 C ATOM 0 H ALA A 42 7.559 6.295 3.827 1.00 0.00 H new ATOM 0 HA ALA A 42 8.052 6.002 6.730 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.623 5.595 6.926 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.970 7.222 6.293 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.434 5.933 5.189 1.00 0.00 H new ATOM 549 N SER A 43 6.797 3.502 6.388 1.00 0.00 N ATOM 550 CA SER A 43 6.764 2.058 6.281 1.00 0.00 C ATOM 551 C SER A 43 6.036 1.625 5.009 1.00 0.00 C ATOM 552 O SER A 43 4.808 1.690 4.929 1.00 0.00 O ATOM 553 CB SER A 43 6.069 1.481 7.515 1.00 0.00 C ATOM 554 OG SER A 43 5.649 2.525 8.383 1.00 0.00 O ATOM 0 H SER A 43 6.174 3.881 7.101 1.00 0.00 H new ATOM 0 HA SER A 43 7.785 1.680 6.227 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.209 0.885 7.210 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.749 0.812 8.043 1.00 0.00 H new ATOM 0 HG SER A 43 4.815 2.914 8.047 1.00 0.00 H new ATOM 560 N VAL A 44 6.797 1.198 4.012 1.00 0.00 N ATOM 561 CA VAL A 44 6.220 0.710 2.771 1.00 0.00 C ATOM 562 C VAL A 44 5.737 -0.721 2.956 1.00 0.00 C ATOM 563 O VAL A 44 6.537 -1.638 3.143 1.00 0.00 O ATOM 564 CB VAL A 44 7.227 0.755 1.599 1.00 0.00 C ATOM 565 CG1 VAL A 44 6.536 1.208 0.323 1.00 0.00 C ATOM 566 CG2 VAL A 44 8.409 1.659 1.925 1.00 0.00 C ATOM 0 H VAL A 44 7.816 1.180 4.040 1.00 0.00 H new ATOM 0 HA VAL A 44 5.386 1.366 2.523 1.00 0.00 H new ATOM 0 HB VAL A 44 7.613 -0.253 1.444 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.259 1.234 -0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.735 0.511 0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.118 2.204 0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.101 1.671 1.083 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.051 2.671 2.116 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.922 1.283 2.810 1.00 0.00 H new ATOM 576 N LYS A 45 4.428 -0.903 2.928 1.00 0.00 N ATOM 577 CA LYS A 45 3.832 -2.214 3.119 1.00 0.00 C ATOM 578 C LYS A 45 2.930 -2.548 1.943 1.00 0.00 C ATOM 579 O LYS A 45 2.701 -1.708 1.078 1.00 0.00 O ATOM 580 CB LYS A 45 3.033 -2.252 4.426 1.00 0.00 C ATOM 581 CG LYS A 45 3.846 -1.868 5.650 1.00 0.00 C ATOM 582 CD LYS A 45 4.360 -3.094 6.383 1.00 0.00 C ATOM 583 CE LYS A 45 5.865 -3.030 6.590 1.00 0.00 C ATOM 584 NZ LYS A 45 6.326 -4.006 7.614 1.00 0.00 N ATOM 0 H LYS A 45 3.754 -0.154 2.774 1.00 0.00 H new ATOM 0 HA LYS A 45 4.628 -2.957 3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.181 -1.577 4.340 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.632 -3.256 4.567 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.687 -1.244 5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.231 -1.271 6.324 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.862 -3.177 7.349 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.107 -3.990 5.816 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.370 -3.229 5.645 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.147 -2.022 6.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.346 -3.884 7.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.813 -3.843 8.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.141 -4.973 7.280 1.00 0.00 H new ATOM 598 N CYS A 46 2.440 -3.771 1.900 1.00 0.00 N ATOM 599 CA CYS A 46 1.505 -4.169 0.864 1.00 0.00 C ATOM 600 C CYS A 46 0.169 -4.575 1.479 1.00 0.00 C ATOM 601 O CYS A 46 0.106 -5.501 2.290 1.00 0.00 O ATOM 602 CB CYS A 46 2.072 -5.323 0.036 1.00 0.00 C ATOM 603 SG CYS A 46 3.892 -5.407 -0.028 1.00 0.00 S ATOM 0 H CYS A 46 2.672 -4.506 2.568 1.00 0.00 H new ATOM 0 HA CYS A 46 1.345 -3.315 0.206 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.694 -6.261 0.442 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.691 -5.241 -0.982 1.00 0.00 H new ATOM 608 N CYS A 47 -0.893 -3.875 1.101 1.00 0.00 N ATOM 609 CA CYS A 47 -2.223 -4.157 1.628 1.00 0.00 C ATOM 610 C CYS A 47 -3.194 -4.486 0.501 1.00 0.00 C ATOM 611 O CYS A 47 -2.858 -4.350 -0.678 1.00 0.00 O ATOM 612 CB CYS A 47 -2.740 -2.964 2.434 1.00 0.00 C ATOM 613 SG CYS A 47 -1.434 -2.003 3.264 1.00 0.00 S ATOM 0 H CYS A 47 -0.860 -3.107 0.431 1.00 0.00 H new ATOM 0 HA CYS A 47 -2.151 -5.024 2.285 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.295 -2.303 1.768 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.444 -3.324 3.185 1.00 0.00 H new ATOM 618 N LYS A 48 -4.389 -4.934 0.865 1.00 0.00 N ATOM 619 CA LYS A 48 -5.408 -5.294 -0.114 1.00 0.00 C ATOM 620 C LYS A 48 -6.610 -4.365 -0.008 1.00 0.00 C ATOM 621 O LYS A 48 -6.883 -3.804 1.054 1.00 0.00 O ATOM 622 CB LYS A 48 -5.849 -6.748 0.076 1.00 0.00 C ATOM 623 CG LYS A 48 -5.895 -7.191 1.528 1.00 0.00 C ATOM 624 CD LYS A 48 -7.320 -7.425 1.993 1.00 0.00 C ATOM 625 CE LYS A 48 -7.594 -8.900 2.221 1.00 0.00 C ATOM 626 NZ LYS A 48 -8.593 -9.116 3.298 1.00 0.00 N ATOM 0 H LYS A 48 -4.678 -5.057 1.836 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.973 -5.188 -1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.837 -6.879 -0.365 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.167 -7.399 -0.471 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.317 -8.107 1.648 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.426 -6.433 2.156 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.498 -6.874 2.916 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.015 -7.035 1.250 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.954 -9.350 1.296 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.664 -9.406 2.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.593 -10.118 3.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.349 -8.528 4.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.538 -8.853 2.953 1.00 0.00 H new ATOM 640 N ASP A 49 -7.333 -4.215 -1.108 1.00 0.00 N ATOM 641 CA ASP A 49 -8.486 -3.324 -1.159 1.00 0.00 C ATOM 642 C ASP A 49 -9.788 -4.115 -1.123 1.00 0.00 C ATOM 643 O ASP A 49 -10.601 -4.046 -2.046 1.00 0.00 O ATOM 644 CB ASP A 49 -8.448 -2.433 -2.410 1.00 0.00 C ATOM 645 CG ASP A 49 -7.803 -3.095 -3.616 1.00 0.00 C ATOM 646 OD1 ASP A 49 -7.905 -4.334 -3.767 1.00 0.00 O ATOM 647 OD2 ASP A 49 -7.184 -2.377 -4.425 1.00 0.00 O ATOM 0 H ASP A 49 -7.141 -4.702 -1.984 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.441 -2.683 -0.279 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.466 -2.142 -2.668 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.905 -1.518 -2.176 1.00 0.00 H new ATOM 652 N ASP A 50 -9.981 -4.868 -0.051 1.00 0.00 N ATOM 653 CA ASP A 50 -11.213 -5.625 0.137 1.00 0.00 C ATOM 654 C ASP A 50 -12.267 -4.758 0.818 1.00 0.00 C ATOM 655 O ASP A 50 -13.448 -5.113 0.874 1.00 0.00 O ATOM 656 CB ASP A 50 -10.952 -6.889 0.961 1.00 0.00 C ATOM 657 CG ASP A 50 -10.997 -6.631 2.452 1.00 0.00 C ATOM 658 OD1 ASP A 50 -10.119 -5.903 2.954 1.00 0.00 O ATOM 659 OD2 ASP A 50 -11.900 -7.166 3.126 1.00 0.00 O ATOM 0 H ASP A 50 -9.302 -4.972 0.703 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.584 -5.925 -0.843 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.694 -7.645 0.704 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.976 -7.296 0.696 1.00 0.00 H new ATOM 664 N VAL A 51 -11.828 -3.620 1.341 1.00 0.00 N ATOM 665 CA VAL A 51 -12.729 -2.649 1.943 1.00 0.00 C ATOM 666 C VAL A 51 -13.526 -1.948 0.853 1.00 0.00 C ATOM 667 O VAL A 51 -12.995 -1.649 -0.217 1.00 0.00 O ATOM 668 CB VAL A 51 -11.974 -1.589 2.782 1.00 0.00 C ATOM 669 CG1 VAL A 51 -12.440 -1.631 4.227 1.00 0.00 C ATOM 670 CG2 VAL A 51 -10.466 -1.790 2.700 1.00 0.00 C ATOM 0 H VAL A 51 -10.845 -3.347 1.359 1.00 0.00 H new ATOM 0 HA VAL A 51 -13.394 -3.194 2.614 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.201 -0.607 2.368 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -11.901 -0.881 4.805 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.509 -1.424 4.271 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -12.245 -2.619 4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.965 -1.030 3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.210 -2.779 3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.143 -1.705 1.662 1.00 0.00 H new ATOM 680 N THR A 52 -14.799 -1.702 1.115 1.00 0.00 N ATOM 681 CA THR A 52 -15.670 -1.102 0.120 1.00 0.00 C ATOM 682 C THR A 52 -15.484 0.413 0.059 1.00 0.00 C ATOM 683 O THR A 52 -15.681 1.031 -0.985 1.00 0.00 O ATOM 684 CB THR A 52 -17.142 -1.444 0.404 1.00 0.00 C ATOM 685 OG1 THR A 52 -17.310 -1.779 1.792 1.00 0.00 O ATOM 686 CG2 THR A 52 -17.590 -2.617 -0.456 1.00 0.00 C ATOM 0 H THR A 52 -15.251 -1.908 2.006 1.00 0.00 H new ATOM 0 HA THR A 52 -15.395 -1.518 -0.849 1.00 0.00 H new ATOM 0 HB THR A 52 -17.751 -0.573 0.163 1.00 0.00 H new ATOM 0 HG1 THR A 52 -18.250 -1.994 1.965 1.00 0.00 H new ATOM 0 HG21 THR A 52 -18.634 -2.847 -0.243 1.00 0.00 H new ATOM 0 HG22 THR A 52 -17.483 -2.358 -1.509 1.00 0.00 H new ATOM 0 HG23 THR A 52 -16.974 -3.488 -0.233 1.00 0.00 H new ATOM 694 N ASN A 53 -15.096 1.006 1.179 1.00 0.00 N ATOM 695 CA ASN A 53 -14.821 2.436 1.223 1.00 0.00 C ATOM 696 C ASN A 53 -13.383 2.709 0.803 1.00 0.00 C ATOM 697 O ASN A 53 -12.470 2.715 1.631 1.00 0.00 O ATOM 698 CB ASN A 53 -15.082 2.991 2.624 1.00 0.00 C ATOM 699 CG ASN A 53 -15.777 4.339 2.587 1.00 0.00 C ATOM 700 OD1 ASN A 53 -16.714 4.549 1.814 1.00 0.00 O ATOM 701 ND2 ASN A 53 -15.323 5.263 3.418 1.00 0.00 N ATOM 0 H ASN A 53 -14.965 0.521 2.067 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.490 2.939 0.525 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.694 2.284 3.185 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.136 3.087 3.157 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -15.751 6.189 3.434 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.545 5.050 4.042 1.00 0.00 H new ATOM 708 N THR A 54 -13.190 2.918 -0.495 1.00 0.00 N ATOM 709 CA THR A 54 -11.864 3.123 -1.063 1.00 0.00 C ATOM 710 C THR A 54 -11.192 4.371 -0.496 1.00 0.00 C ATOM 711 O THR A 54 -10.121 4.296 0.102 1.00 0.00 O ATOM 712 CB THR A 54 -11.958 3.252 -2.593 1.00 0.00 C ATOM 713 OG1 THR A 54 -13.274 3.695 -2.953 1.00 0.00 O ATOM 714 CG2 THR A 54 -11.658 1.922 -3.266 1.00 0.00 C ATOM 0 H THR A 54 -13.945 2.950 -1.180 1.00 0.00 H new ATOM 0 HA THR A 54 -11.259 2.256 -0.797 1.00 0.00 H new ATOM 0 HB THR A 54 -11.220 3.980 -2.930 1.00 0.00 H new ATOM 0 HG1 THR A 54 -13.336 3.780 -3.927 1.00 0.00 H new ATOM 0 HG21 THR A 54 -11.730 2.037 -4.348 1.00 0.00 H new ATOM 0 HG22 THR A 54 -10.651 1.600 -3.002 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.378 1.175 -2.932 1.00 0.00 H new ATOM 722 N GLY A 55 -11.825 5.518 -0.695 1.00 0.00 N ATOM 723 CA GLY A 55 -11.259 6.770 -0.231 1.00 0.00 C ATOM 724 C GLY A 55 -10.589 7.534 -1.355 1.00 0.00 C ATOM 725 O GLY A 55 -10.452 8.757 -1.286 1.00 0.00 O ATOM 0 H GLY A 55 -12.723 5.605 -1.171 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.045 7.384 0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.533 6.571 0.557 1.00 0.00 H new ATOM 729 N ASN A 56 -10.162 6.791 -2.379 1.00 0.00 N ATOM 730 CA ASN A 56 -9.582 7.350 -3.610 1.00 0.00 C ATOM 731 C ASN A 56 -8.157 7.861 -3.402 1.00 0.00 C ATOM 732 O ASN A 56 -7.241 7.467 -4.124 1.00 0.00 O ATOM 733 CB ASN A 56 -10.470 8.463 -4.187 1.00 0.00 C ATOM 734 CG ASN A 56 -11.674 7.918 -4.934 1.00 0.00 C ATOM 735 OD1 ASN A 56 -12.592 7.361 -4.332 1.00 0.00 O ATOM 736 ND2 ASN A 56 -11.682 8.074 -6.249 1.00 0.00 N ATOM 0 H ASN A 56 -10.208 5.772 -2.380 1.00 0.00 H new ATOM 0 HA ASN A 56 -9.534 6.532 -4.329 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.811 9.108 -3.377 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -9.878 9.083 -4.861 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -12.468 7.727 -6.799 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -10.902 8.541 -6.712 1.00 0.00 H new ATOM 743 N SER A 57 -7.965 8.729 -2.423 1.00 0.00 N ATOM 744 CA SER A 57 -6.655 9.306 -2.170 1.00 0.00 C ATOM 745 C SER A 57 -5.770 8.320 -1.414 1.00 0.00 C ATOM 746 O SER A 57 -4.674 7.977 -1.863 1.00 0.00 O ATOM 747 CB SER A 57 -6.816 10.599 -1.373 1.00 0.00 C ATOM 748 OG SER A 57 -8.185 10.841 -1.081 1.00 0.00 O ATOM 0 H SER A 57 -8.699 9.050 -1.791 1.00 0.00 H new ATOM 0 HA SER A 57 -6.173 9.528 -3.122 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.247 10.534 -0.446 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.407 11.435 -1.940 1.00 0.00 H new ATOM 0 HG SER A 57 -8.268 11.672 -0.569 1.00 0.00 H new ATOM 754 N GLY A 58 -6.259 7.852 -0.279 1.00 0.00 N ATOM 755 CA GLY A 58 -5.518 6.887 0.502 1.00 0.00 C ATOM 756 C GLY A 58 -6.433 5.861 1.122 1.00 0.00 C ATOM 757 O GLY A 58 -7.540 6.194 1.541 1.00 0.00 O ATOM 0 H GLY A 58 -7.159 8.124 0.117 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.786 6.388 -0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.962 7.401 1.286 1.00 0.00 H new ATOM 761 N LEU A 59 -5.981 4.621 1.177 1.00 0.00 N ATOM 762 CA LEU A 59 -6.778 3.552 1.748 1.00 0.00 C ATOM 763 C LEU A 59 -6.453 3.407 3.227 1.00 0.00 C ATOM 764 O LEU A 59 -5.355 2.986 3.592 1.00 0.00 O ATOM 765 CB LEU A 59 -6.519 2.235 1.007 1.00 0.00 C ATOM 766 CG LEU A 59 -7.491 1.096 1.332 1.00 0.00 C ATOM 767 CD1 LEU A 59 -8.904 1.443 0.887 1.00 0.00 C ATOM 768 CD2 LEU A 59 -7.031 -0.195 0.676 1.00 0.00 C ATOM 0 H LEU A 59 -5.066 4.330 0.833 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.834 3.798 1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.557 2.427 -0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.506 1.902 1.235 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.501 0.955 2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.574 0.618 1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.237 2.344 1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.915 1.615 -0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.732 -0.995 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.991 -0.060 -0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.040 -0.458 1.046 1.00 0.00 H new ATOM 780 N ILE A 60 -7.399 3.779 4.072 1.00 0.00 N ATOM 781 CA ILE A 60 -7.210 3.691 5.509 1.00 0.00 C ATOM 782 C ILE A 60 -7.437 2.263 5.977 1.00 0.00 C ATOM 783 O ILE A 60 -8.575 1.832 6.168 1.00 0.00 O ATOM 784 CB ILE A 60 -8.154 4.643 6.273 1.00 0.00 C ATOM 785 CG1 ILE A 60 -8.093 6.051 5.673 1.00 0.00 C ATOM 786 CG2 ILE A 60 -7.782 4.677 7.749 1.00 0.00 C ATOM 787 CD1 ILE A 60 -9.433 6.751 5.631 1.00 0.00 C ATOM 0 H ILE A 60 -8.307 4.145 3.787 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.185 3.992 5.724 1.00 0.00 H new ATOM 0 HB ILE A 60 -9.175 4.273 6.179 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.396 6.654 6.254 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.694 5.988 4.661 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.455 5.352 8.278 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.869 3.675 8.169 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -6.756 5.028 7.858 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -9.312 7.742 5.194 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -10.128 6.170 5.025 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.826 6.846 6.643 1.00 0.00 H new ATOM 799 N ILE A 61 -6.345 1.532 6.134 1.00 0.00 N ATOM 800 CA ILE A 61 -6.406 0.144 6.558 1.00 0.00 C ATOM 801 C ILE A 61 -6.751 0.055 8.039 1.00 0.00 C ATOM 802 O ILE A 61 -6.453 0.967 8.811 1.00 0.00 O ATOM 803 CB ILE A 61 -5.067 -0.584 6.302 1.00 0.00 C ATOM 804 CG1 ILE A 61 -4.414 -0.076 5.009 1.00 0.00 C ATOM 805 CG2 ILE A 61 -5.277 -2.092 6.242 1.00 0.00 C ATOM 806 CD1 ILE A 61 -5.123 -0.513 3.743 1.00 0.00 C ATOM 0 H ILE A 61 -5.400 1.881 5.973 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.185 -0.342 5.970 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.396 -0.366 7.133 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.380 1.013 5.036 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.382 -0.426 4.974 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.322 -2.585 6.061 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.691 -2.440 7.188 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.968 -2.331 5.434 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.599 -0.112 2.875 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.134 -1.602 3.689 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.147 -0.140 3.752 1.00 0.00 H new ATOM 818 N ASN A 62 -7.393 -1.038 8.423 1.00 0.00 N ATOM 819 CA ASN A 62 -7.756 -1.264 9.811 1.00 0.00 C ATOM 820 C ASN A 62 -6.501 -1.444 10.664 1.00 0.00 C ATOM 821 O ASN A 62 -6.171 -0.586 11.485 1.00 0.00 O ATOM 822 CB ASN A 62 -8.661 -2.492 9.918 1.00 0.00 C ATOM 823 CG ASN A 62 -9.149 -2.744 11.331 1.00 0.00 C ATOM 824 OD1 ASN A 62 -9.942 -1.974 11.876 1.00 0.00 O ATOM 825 ND2 ASN A 62 -8.687 -3.831 11.926 1.00 0.00 N ATOM 0 H ASN A 62 -7.674 -1.785 7.788 1.00 0.00 H new ATOM 0 HA ASN A 62 -8.300 -0.396 10.183 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -9.520 -2.362 9.260 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -8.118 -3.369 9.565 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -8.986 -4.060 12.874 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -8.032 -4.441 11.437 1.00 0.00 H new ATOM 832 N ALA A 63 -5.795 -2.552 10.451 1.00 0.00 N ATOM 833 CA ALA A 63 -4.554 -2.814 11.166 1.00 0.00 C ATOM 834 C ALA A 63 -3.723 -3.885 10.465 1.00 0.00 C ATOM 835 O ALA A 63 -3.000 -3.597 9.510 1.00 0.00 O ATOM 836 CB ALA A 63 -4.844 -3.215 12.608 1.00 0.00 C ATOM 0 H ALA A 63 -6.063 -3.281 9.789 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.970 -1.894 11.171 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.905 -3.407 13.128 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.378 -2.408 13.110 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.456 -4.117 12.619 1.00 0.00 H new ATOM 842 N ALA A 64 -3.849 -5.123 10.922 1.00 0.00 N ATOM 843 CA ALA A 64 -2.993 -6.203 10.456 1.00 0.00 C ATOM 844 C ALA A 64 -3.480 -6.798 9.135 1.00 0.00 C ATOM 845 O ALA A 64 -4.115 -7.852 9.114 1.00 0.00 O ATOM 846 CB ALA A 64 -2.894 -7.287 11.520 1.00 0.00 C ATOM 0 H ALA A 64 -4.539 -5.404 11.618 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.004 -5.781 10.274 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.251 -8.091 11.162 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.472 -6.864 12.432 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.888 -7.683 11.729 1.00 0.00 H new ATOM 852 N ASN A 65 -3.192 -6.108 8.041 1.00 0.00 N ATOM 853 CA ASN A 65 -3.434 -6.647 6.707 1.00 0.00 C ATOM 854 C ASN A 65 -2.495 -5.992 5.705 1.00 0.00 C ATOM 855 O ASN A 65 -2.763 -5.954 4.503 1.00 0.00 O ATOM 856 CB ASN A 65 -4.892 -6.448 6.282 1.00 0.00 C ATOM 857 CG ASN A 65 -5.482 -7.705 5.671 1.00 0.00 C ATOM 858 OD1 ASN A 65 -5.074 -8.142 4.594 1.00 0.00 O ATOM 859 ND2 ASN A 65 -6.446 -8.302 6.356 1.00 0.00 N ATOM 0 H ASN A 65 -2.789 -5.171 8.049 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.239 -7.719 6.732 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.485 -6.153 7.148 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -4.952 -5.632 5.562 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.876 -9.153 5.995 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.758 -7.910 7.245 1.00 0.00 H new ATOM 866 N CYS A 66 -1.389 -5.474 6.214 1.00 0.00 N ATOM 867 CA CYS A 66 -0.379 -4.847 5.380 1.00 0.00 C ATOM 868 C CYS A 66 0.961 -5.532 5.599 1.00 0.00 C ATOM 869 O CYS A 66 1.752 -5.115 6.448 1.00 0.00 O ATOM 870 CB CYS A 66 -0.269 -3.357 5.705 1.00 0.00 C ATOM 871 SG CYS A 66 -1.736 -2.388 5.232 1.00 0.00 S ATOM 0 H CYS A 66 -1.168 -5.476 7.210 1.00 0.00 H new ATOM 0 HA CYS A 66 -0.668 -4.951 4.334 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -0.098 -3.240 6.775 1.00 0.00 H new ATOM 0 HB3 CYS A 66 0.604 -2.948 5.196 1.00 0.00 H new ATOM 876 N VAL A 67 1.205 -6.598 4.853 1.00 0.00 N ATOM 877 CA VAL A 67 2.406 -7.394 5.045 1.00 0.00 C ATOM 878 C VAL A 67 3.559 -6.871 4.198 1.00 0.00 C ATOM 879 O VAL A 67 3.395 -6.586 3.011 1.00 0.00 O ATOM 880 CB VAL A 67 2.169 -8.887 4.724 1.00 0.00 C ATOM 881 CG1 VAL A 67 1.227 -9.511 5.740 1.00 0.00 C ATOM 882 CG2 VAL A 67 1.622 -9.065 3.319 1.00 0.00 C ATOM 0 H VAL A 67 0.589 -6.931 4.111 1.00 0.00 H new ATOM 0 HA VAL A 67 2.668 -7.306 6.099 1.00 0.00 H new ATOM 0 HB VAL A 67 3.131 -9.397 4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.073 -10.562 5.496 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.661 -9.429 6.737 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.270 -8.990 5.717 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.465 -10.125 3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.674 -8.535 3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.334 -8.663 2.598 1.00 0.00 H new ATOM 892 N ALA A 68 4.710 -6.725 4.842 1.00 0.00 N ATOM 893 CA ALA A 68 5.948 -6.298 4.201 1.00 0.00 C ATOM 894 C ALA A 68 7.029 -6.199 5.260 1.00 0.00 C ATOM 895 O ALA A 68 6.709 -6.453 6.442 1.00 0.00 O ATOM 896 CB ALA A 68 5.786 -4.961 3.488 1.00 0.00 C ATOM 897 OXT ALA A 68 8.179 -5.870 4.931 1.00 0.00 O ATOM 0 H ALA A 68 4.812 -6.903 5.841 1.00 0.00 H new ATOM 0 HA ALA A 68 6.222 -7.032 3.444 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.731 -4.679 3.024 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.017 -5.049 2.721 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.494 -4.197 4.209 1.00 0.00 H new TER 903 ALA A 68