USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 728 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 53 SER OG : rot 180:sc= -0.17 USER MOD Set 1.2: A 65 THR OG1 : rot -160:sc= -0.45 USER MOD Set 2.1: A 27 GLN : amide:sc= 0 X(o=0.01,f=0.01) USER MOD Set 2.2: A 32 TYR OH : rot 0:sc= 0.0104 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -2.56! USER MOD Single : A 8 THR OG1 : rot -139:sc= -5.73! USER MOD Single : A 10 SER OG : rot 39:sc= -1.84! USER MOD Single : A 11 SER OG : rot 38:sc= 0.81 USER MOD Single : A 14 SER OG : rot -102:sc= 0.785 USER MOD Single : A 17 THR OG1 : rot 93:sc= 0.00875 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -160:sc= -0.0325 USER MOD Single : A 36 GLN : amide:sc= -14.7! C(o=-15!,f=-18!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -5.38! C(o=-5.4!,f=-21!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 28:sc= 0.309 USER MOD Single : A 64 SER OG : rot -6:sc= 0.797! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 150:sc= -0.765 USER MOD Single : A 72 SER OG : rot 59:sc= 0.368 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.152 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.039 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN :FLIP amide:sc= -8.52! C(o=-9.7!,f=-8.5!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN :FLIP amide:sc= -3.85! C(o=-5!,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.264 12.430 -8.027 1.00 0.00 N ATOM 2 CA ALA A 1 2.217 13.130 -7.190 1.00 0.00 C ATOM 3 C ALA A 1 2.470 12.332 -5.919 1.00 0.00 C ATOM 4 O ALA A 1 1.531 11.986 -5.204 1.00 0.00 O ATOM 5 CB ALA A 1 1.678 14.519 -6.859 1.00 0.00 C ATOM 0 H1 ALA A 1 1.094 12.979 -8.894 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.644 11.495 -8.278 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.369 12.313 -7.511 1.00 0.00 H new ATOM 0 HA ALA A 1 3.163 13.239 -7.721 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.394 15.047 -6.229 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.524 15.079 -7.781 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.730 14.425 -6.330 1.00 0.00 H new ATOM 11 N ALA A 2 3.742 12.041 -5.637 1.00 0.00 N ATOM 12 CA ALA A 2 4.110 11.286 -4.457 1.00 0.00 C ATOM 13 C ALA A 2 5.411 11.829 -3.883 1.00 0.00 C ATOM 14 O ALA A 2 6.330 12.160 -4.629 1.00 0.00 O ATOM 15 CB ALA A 2 4.254 9.811 -4.823 1.00 0.00 C ATOM 0 H ALA A 2 4.531 12.322 -6.218 1.00 0.00 H new ATOM 0 HA ALA A 2 3.333 11.385 -3.699 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.531 9.241 -3.936 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.306 9.439 -5.212 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.028 9.698 -5.583 1.00 0.00 H new ATOM 21 N PRO A 3 5.487 11.920 -2.553 1.00 0.00 N ATOM 22 CA PRO A 3 6.642 12.410 -1.834 1.00 0.00 C ATOM 23 C PRO A 3 7.759 11.378 -1.897 1.00 0.00 C ATOM 24 O PRO A 3 7.632 10.364 -2.579 1.00 0.00 O ATOM 25 CB PRO A 3 6.157 12.604 -0.399 1.00 0.00 C ATOM 26 CG PRO A 3 5.070 11.538 -0.263 1.00 0.00 C ATOM 27 CD PRO A 3 4.425 11.539 -1.647 1.00 0.00 C ATOM 0 HA PRO A 3 7.040 13.335 -2.251 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.960 12.457 0.323 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.762 13.607 -0.237 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.488 10.563 -0.012 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.353 11.788 0.518 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.026 10.556 -1.897 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.594 12.242 -1.695 1.00 0.00 H new ATOM 35 N THR A 4 8.858 11.639 -1.185 1.00 0.00 N ATOM 36 CA THR A 4 9.987 10.731 -1.167 1.00 0.00 C ATOM 37 C THR A 4 9.926 9.850 0.072 1.00 0.00 C ATOM 38 O THR A 4 10.146 10.322 1.185 1.00 0.00 O ATOM 39 CB THR A 4 11.284 11.535 -1.195 1.00 0.00 C ATOM 40 OG1 THR A 4 11.610 11.854 -2.529 1.00 0.00 O ATOM 41 CG2 THR A 4 12.409 10.706 -0.581 1.00 0.00 C ATOM 0 H THR A 4 8.982 12.476 -0.615 1.00 0.00 H new ATOM 0 HA THR A 4 9.953 10.087 -2.046 1.00 0.00 H new ATOM 0 HB THR A 4 11.155 12.454 -0.623 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.442 12.372 -2.548 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.336 11.279 -0.601 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.157 10.458 0.450 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.538 9.788 -1.154 1.00 0.00 H new ATOM 49 N ALA A 5 9.625 8.564 -0.124 1.00 0.00 N ATOM 50 CA ALA A 5 9.535 7.624 0.975 1.00 0.00 C ATOM 51 C ALA A 5 10.434 6.426 0.704 1.00 0.00 C ATOM 52 O ALA A 5 10.513 5.951 -0.427 1.00 0.00 O ATOM 53 CB ALA A 5 8.084 7.183 1.149 1.00 0.00 C ATOM 0 H ALA A 5 9.440 8.157 -1.041 1.00 0.00 H new ATOM 0 HA ALA A 5 9.868 8.102 1.896 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.015 6.476 1.976 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.463 8.053 1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.737 6.705 0.233 1.00 0.00 H new ATOM 59 N THR A 6 11.112 5.938 1.744 1.00 0.00 N ATOM 60 CA THR A 6 11.999 4.800 1.609 1.00 0.00 C ATOM 61 C THR A 6 11.289 3.532 2.063 1.00 0.00 C ATOM 62 O THR A 6 10.964 3.387 3.239 1.00 0.00 O ATOM 63 CB THR A 6 13.260 5.038 2.433 1.00 0.00 C ATOM 64 OG1 THR A 6 12.927 5.741 3.609 1.00 0.00 O ATOM 65 CG2 THR A 6 14.256 5.857 1.616 1.00 0.00 C ATOM 0 H THR A 6 11.058 6.320 2.688 1.00 0.00 H new ATOM 0 HA THR A 6 12.281 4.678 0.563 1.00 0.00 H new ATOM 0 HB THR A 6 13.708 4.080 2.696 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.737 5.893 4.140 1.00 0.00 H new ATOM 0 HG21 THR A 6 15.157 6.027 2.205 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.514 5.314 0.707 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.809 6.815 1.352 1.00 0.00 H new ATOM 73 N VAL A 7 11.049 2.613 1.125 1.00 0.00 N ATOM 74 CA VAL A 7 10.381 1.364 1.430 1.00 0.00 C ATOM 75 C VAL A 7 11.363 0.209 1.296 1.00 0.00 C ATOM 76 O VAL A 7 12.285 0.266 0.485 1.00 0.00 O ATOM 77 CB VAL A 7 9.195 1.179 0.488 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.411 -0.066 0.896 1.00 0.00 C ATOM 79 CG2 VAL A 7 8.286 2.402 0.569 1.00 0.00 C ATOM 0 H VAL A 7 11.312 2.720 0.145 1.00 0.00 H new ATOM 0 HA VAL A 7 10.013 1.384 2.456 1.00 0.00 H new ATOM 0 HB VAL A 7 9.557 1.062 -0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.564 -0.199 0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.060 -0.940 0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.049 0.051 1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 7 7.438 2.271 -0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.924 2.519 1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.846 3.291 0.278 1.00 0.00 H new ATOM 89 N THR A 8 11.164 -0.843 2.093 1.00 0.00 N ATOM 90 CA THR A 8 12.032 -2.003 2.055 1.00 0.00 C ATOM 91 C THR A 8 11.872 -2.727 0.726 1.00 0.00 C ATOM 92 O THR A 8 11.035 -2.351 -0.092 1.00 0.00 O ATOM 93 CB THR A 8 11.693 -2.929 3.220 1.00 0.00 C ATOM 94 OG1 THR A 8 12.883 -3.458 3.760 1.00 0.00 O ATOM 95 CG2 THR A 8 10.809 -4.069 2.723 1.00 0.00 C ATOM 0 H THR A 8 10.405 -0.907 2.771 1.00 0.00 H new ATOM 0 HA THR A 8 13.071 -1.687 2.149 1.00 0.00 H new ATOM 0 HB THR A 8 11.163 -2.367 3.989 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.752 -4.405 3.974 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.567 -4.731 3.555 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.889 -3.660 2.304 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.339 -4.632 1.954 1.00 0.00 H new ATOM 103 N PRO A 9 12.678 -3.769 0.513 1.00 0.00 N ATOM 104 CA PRO A 9 12.667 -4.577 -0.688 1.00 0.00 C ATOM 105 C PRO A 9 11.419 -5.448 -0.707 1.00 0.00 C ATOM 106 O PRO A 9 11.220 -6.270 0.185 1.00 0.00 O ATOM 107 CB PRO A 9 13.930 -5.431 -0.596 1.00 0.00 C ATOM 108 CG PRO A 9 14.119 -5.594 0.912 1.00 0.00 C ATOM 109 CD PRO A 9 13.672 -4.238 1.454 1.00 0.00 C ATOM 0 HA PRO A 9 12.652 -3.981 -1.600 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.805 -6.392 -1.094 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.785 -4.940 -1.060 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.514 -6.409 1.310 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.156 -5.811 1.169 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.254 -4.332 2.456 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.510 -3.544 1.522 1.00 0.00 H new ATOM 117 N SER A 10 10.577 -5.264 -1.726 1.00 0.00 N ATOM 118 CA SER A 10 9.354 -6.032 -1.854 1.00 0.00 C ATOM 119 C SER A 10 9.440 -6.940 -3.072 1.00 0.00 C ATOM 120 O SER A 10 8.513 -6.992 -3.877 1.00 0.00 O ATOM 121 CB SER A 10 8.167 -5.081 -1.971 1.00 0.00 C ATOM 122 OG SER A 10 8.141 -4.519 -3.264 1.00 0.00 O ATOM 0 H SER A 10 10.728 -4.586 -2.473 1.00 0.00 H new ATOM 0 HA SER A 10 9.217 -6.655 -0.970 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.238 -5.617 -1.777 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.243 -4.293 -1.222 1.00 0.00 H new ATOM 0 HG SER A 10 8.395 -5.200 -3.922 1.00 0.00 H new ATOM 128 N SER A 11 10.557 -7.659 -3.205 1.00 0.00 N ATOM 129 CA SER A 11 10.756 -8.562 -4.321 1.00 0.00 C ATOM 130 C SER A 11 11.084 -9.956 -3.806 1.00 0.00 C ATOM 131 O SER A 11 12.185 -10.196 -3.316 1.00 0.00 O ATOM 132 CB SER A 11 11.881 -8.034 -5.206 1.00 0.00 C ATOM 133 OG SER A 11 13.052 -7.880 -4.436 1.00 0.00 O ATOM 0 H SER A 11 11.335 -7.627 -2.546 1.00 0.00 H new ATOM 0 HA SER A 11 9.843 -8.622 -4.913 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.063 -8.723 -6.031 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.594 -7.079 -5.646 1.00 0.00 H new ATOM 0 HG SER A 11 13.120 -8.616 -3.793 1.00 0.00 H new ATOM 139 N GLY A 12 10.125 -10.878 -3.918 1.00 0.00 N ATOM 140 CA GLY A 12 10.321 -12.240 -3.464 1.00 0.00 C ATOM 141 C GLY A 12 9.882 -12.380 -2.013 1.00 0.00 C ATOM 142 O GLY A 12 10.371 -13.249 -1.295 1.00 0.00 O ATOM 0 H GLY A 12 9.206 -10.697 -4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.751 -12.926 -4.091 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.371 -12.516 -3.562 1.00 0.00 H new ATOM 146 N LEU A 13 8.955 -11.521 -1.583 1.00 0.00 N ATOM 147 CA LEU A 13 8.455 -11.552 -0.223 1.00 0.00 C ATOM 148 C LEU A 13 7.102 -12.248 -0.186 1.00 0.00 C ATOM 149 O LEU A 13 6.220 -11.937 -0.982 1.00 0.00 O ATOM 150 CB LEU A 13 8.345 -10.126 0.311 1.00 0.00 C ATOM 151 CG LEU A 13 9.528 -9.303 -0.189 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.859 -8.216 0.830 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.739 -10.213 -0.374 1.00 0.00 C ATOM 0 H LEU A 13 8.539 -10.795 -2.167 1.00 0.00 H new ATOM 0 HA LEU A 13 9.145 -12.110 0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.409 -9.674 -0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.329 -10.135 1.401 1.00 0.00 H new ATOM 0 HG LEU A 13 9.272 -8.841 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.704 -7.628 0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.994 -7.566 0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.115 -8.677 1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.585 -9.625 -0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.995 -10.676 0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.503 -10.989 -1.102 1.00 0.00 H new ATOM 165 N SER A 14 6.941 -13.193 0.744 1.00 0.00 N ATOM 166 CA SER A 14 5.698 -13.925 0.880 1.00 0.00 C ATOM 167 C SER A 14 5.092 -13.665 2.252 1.00 0.00 C ATOM 168 O SER A 14 5.685 -12.968 3.073 1.00 0.00 O ATOM 169 CB SER A 14 5.961 -15.414 0.679 1.00 0.00 C ATOM 170 OG SER A 14 4.733 -16.102 0.599 1.00 0.00 O ATOM 0 H SER A 14 7.663 -13.463 1.411 1.00 0.00 H new ATOM 0 HA SER A 14 4.990 -13.589 0.123 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.539 -15.572 -0.232 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.555 -15.804 1.505 1.00 0.00 H new ATOM 0 HG SER A 14 4.548 -16.542 1.455 1.00 0.00 H new ATOM 176 N ASP A 15 3.908 -14.228 2.500 1.00 0.00 N ATOM 177 CA ASP A 15 3.229 -14.054 3.768 1.00 0.00 C ATOM 178 C ASP A 15 4.217 -14.246 4.911 1.00 0.00 C ATOM 179 O ASP A 15 5.060 -15.139 4.861 1.00 0.00 O ATOM 180 CB ASP A 15 2.082 -15.055 3.871 1.00 0.00 C ATOM 181 CG ASP A 15 2.516 -16.432 3.392 1.00 0.00 C ATOM 182 OD1 ASP A 15 3.447 -16.475 2.558 1.00 0.00 O ATOM 183 OD2 ASP A 15 1.909 -17.416 3.867 1.00 0.00 O ATOM 0 H ASP A 15 3.404 -14.810 1.830 1.00 0.00 H new ATOM 0 HA ASP A 15 2.820 -13.046 3.832 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.740 -15.116 4.904 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.237 -14.708 3.276 1.00 0.00 H new ATOM 188 N GLY A 16 4.112 -13.405 5.943 1.00 0.00 N ATOM 189 CA GLY A 16 4.997 -13.491 7.087 1.00 0.00 C ATOM 190 C GLY A 16 6.043 -12.387 7.028 1.00 0.00 C ATOM 191 O GLY A 16 6.613 -12.013 8.051 1.00 0.00 O ATOM 0 H GLY A 16 3.419 -12.659 6.001 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.421 -13.407 8.008 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.486 -14.465 7.105 1.00 0.00 H new ATOM 195 N THR A 17 6.296 -11.866 5.825 1.00 0.00 N ATOM 196 CA THR A 17 7.271 -10.809 5.644 1.00 0.00 C ATOM 197 C THR A 17 6.620 -9.455 5.886 1.00 0.00 C ATOM 198 O THR A 17 5.424 -9.288 5.656 1.00 0.00 O ATOM 199 CB THR A 17 7.847 -10.887 4.233 1.00 0.00 C ATOM 200 OG1 THR A 17 8.544 -12.104 4.077 1.00 0.00 O ATOM 201 CG2 THR A 17 8.805 -9.721 4.009 1.00 0.00 C ATOM 0 H THR A 17 5.834 -12.165 4.966 1.00 0.00 H new ATOM 0 HA THR A 17 8.082 -10.932 6.362 1.00 0.00 H new ATOM 0 HB THR A 17 7.036 -10.836 3.506 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.939 -12.782 3.710 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.216 -9.777 3.001 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.268 -8.780 4.130 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.616 -9.772 4.735 1.00 0.00 H new ATOM 209 N VAL A 18 7.412 -8.486 6.351 1.00 0.00 N ATOM 210 CA VAL A 18 6.912 -7.153 6.621 1.00 0.00 C ATOM 211 C VAL A 18 7.759 -6.126 5.884 1.00 0.00 C ATOM 212 O VAL A 18 8.975 -6.080 6.060 1.00 0.00 O ATOM 213 CB VAL A 18 6.938 -6.897 8.125 1.00 0.00 C ATOM 214 CG1 VAL A 18 8.378 -6.953 8.627 1.00 0.00 C ATOM 215 CG2 VAL A 18 6.352 -5.518 8.416 1.00 0.00 C ATOM 0 H VAL A 18 8.406 -8.609 6.546 1.00 0.00 H new ATOM 0 HA VAL A 18 5.884 -7.067 6.269 1.00 0.00 H new ATOM 0 HB VAL A 18 6.347 -7.659 8.633 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.396 -6.770 9.701 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.798 -7.937 8.419 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.970 -6.192 8.119 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.370 -5.334 9.490 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.944 -4.757 7.908 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.323 -5.477 8.058 1.00 0.00 H new ATOM 225 N VAL A 19 7.114 -5.301 5.056 1.00 0.00 N ATOM 226 CA VAL A 19 7.808 -4.280 4.298 1.00 0.00 C ATOM 227 C VAL A 19 7.924 -3.011 5.129 1.00 0.00 C ATOM 228 O VAL A 19 7.204 -2.841 6.111 1.00 0.00 O ATOM 229 CB VAL A 19 7.054 -4.010 3.000 1.00 0.00 C ATOM 230 CG1 VAL A 19 6.887 -5.315 2.227 1.00 0.00 C ATOM 231 CG2 VAL A 19 5.679 -3.431 3.322 1.00 0.00 C ATOM 0 H VAL A 19 6.106 -5.328 4.899 1.00 0.00 H new ATOM 0 HA VAL A 19 8.813 -4.623 4.053 1.00 0.00 H new ATOM 0 HB VAL A 19 7.616 -3.299 2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.348 -5.122 1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.868 -5.730 1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.325 -6.027 2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.139 -3.238 2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.117 -4.143 3.927 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.797 -2.499 3.874 1.00 0.00 H new ATOM 241 N LYS A 20 8.834 -2.117 4.734 1.00 0.00 N ATOM 242 CA LYS A 20 9.037 -0.870 5.444 1.00 0.00 C ATOM 243 C LYS A 20 8.652 0.302 4.553 1.00 0.00 C ATOM 244 O LYS A 20 8.875 0.266 3.345 1.00 0.00 O ATOM 245 CB LYS A 20 10.496 -0.764 5.877 1.00 0.00 C ATOM 246 CG LYS A 20 10.578 -0.040 7.218 1.00 0.00 C ATOM 247 CD LYS A 20 10.512 1.467 6.988 1.00 0.00 C ATOM 248 CE LYS A 20 11.784 2.119 7.523 1.00 0.00 C ATOM 249 NZ LYS A 20 12.687 2.495 6.424 1.00 0.00 N ATOM 0 H LYS A 20 9.439 -2.242 3.923 1.00 0.00 H new ATOM 0 HA LYS A 20 8.405 -0.847 6.332 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.935 -1.758 5.961 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.071 -0.225 5.125 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.759 -0.356 7.865 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.506 -0.300 7.728 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.401 1.679 5.925 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.638 1.884 7.489 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.526 3.004 8.105 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.293 1.431 8.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.544 2.936 6.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.950 1.646 5.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.206 3.170 5.795 1.00 0.00 H new ATOM 263 N VAL A 21 8.073 1.345 5.153 1.00 0.00 N ATOM 264 CA VAL A 21 7.661 2.521 4.413 1.00 0.00 C ATOM 265 C VAL A 21 8.002 3.774 5.207 1.00 0.00 C ATOM 266 O VAL A 21 7.413 4.026 6.256 1.00 0.00 O ATOM 267 CB VAL A 21 6.162 2.447 4.136 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.422 3.382 5.088 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.890 2.870 2.695 1.00 0.00 C ATOM 0 H VAL A 21 7.882 1.390 6.154 1.00 0.00 H new ATOM 0 HA VAL A 21 8.191 2.562 3.461 1.00 0.00 H new ATOM 0 HB VAL A 21 5.815 1.425 4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.351 3.329 4.890 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.616 3.081 6.118 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.769 4.404 4.937 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.820 2.817 2.496 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.237 3.892 2.544 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.419 2.203 2.014 1.00 0.00 H new ATOM 279 N ALA A 22 8.956 4.560 4.703 1.00 0.00 N ATOM 280 CA ALA A 22 9.371 5.780 5.367 1.00 0.00 C ATOM 281 C ALA A 22 9.203 6.962 4.423 1.00 0.00 C ATOM 282 O ALA A 22 9.868 7.034 3.391 1.00 0.00 O ATOM 283 CB ALA A 22 10.823 5.646 5.814 1.00 0.00 C ATOM 0 H ALA A 22 9.452 4.365 3.833 1.00 0.00 H new ATOM 0 HA ALA A 22 8.749 5.951 6.246 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.136 6.563 6.313 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.915 4.807 6.504 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.457 5.472 4.944 1.00 0.00 H new ATOM 289 N GLY A 23 8.312 7.891 4.777 1.00 0.00 N ATOM 290 CA GLY A 23 8.067 9.061 3.957 1.00 0.00 C ATOM 291 C GLY A 23 9.103 10.137 4.250 1.00 0.00 C ATOM 292 O GLY A 23 9.486 10.338 5.400 1.00 0.00 O ATOM 0 H GLY A 23 7.752 7.848 5.628 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.104 8.789 2.902 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.066 9.447 4.152 1.00 0.00 H new ATOM 296 N ALA A 24 9.557 10.830 3.202 1.00 0.00 N ATOM 297 CA ALA A 24 10.546 11.878 3.350 1.00 0.00 C ATOM 298 C ALA A 24 10.182 13.059 2.461 1.00 0.00 C ATOM 299 O ALA A 24 10.327 12.989 1.243 1.00 0.00 O ATOM 300 CB ALA A 24 11.924 11.332 2.986 1.00 0.00 C ATOM 0 H ALA A 24 9.248 10.676 2.242 1.00 0.00 H new ATOM 0 HA ALA A 24 10.567 12.220 4.385 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.669 12.120 3.097 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.173 10.502 3.647 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.916 10.983 1.953 1.00 0.00 H new ATOM 306 N GLY A 25 9.707 14.147 3.073 1.00 0.00 N ATOM 307 CA GLY A 25 9.327 15.332 2.331 1.00 0.00 C ATOM 308 C GLY A 25 7.816 15.376 2.146 1.00 0.00 C ATOM 309 O GLY A 25 7.322 15.974 1.193 1.00 0.00 O ATOM 0 H GLY A 25 9.580 14.223 4.082 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.662 16.224 2.860 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.820 15.335 1.359 1.00 0.00 H new ATOM 313 N LEU A 26 7.083 14.738 3.061 1.00 0.00 N ATOM 314 CA LEU A 26 5.635 14.706 2.995 1.00 0.00 C ATOM 315 C LEU A 26 5.059 15.916 3.716 1.00 0.00 C ATOM 316 O LEU A 26 5.791 16.838 4.071 1.00 0.00 O ATOM 317 CB LEU A 26 5.126 13.411 3.621 1.00 0.00 C ATOM 318 CG LEU A 26 6.109 12.282 3.323 1.00 0.00 C ATOM 319 CD1 LEU A 26 5.339 10.981 3.109 1.00 0.00 C ATOM 320 CD2 LEU A 26 6.902 12.618 2.063 1.00 0.00 C ATOM 0 H LEU A 26 7.478 14.237 3.857 1.00 0.00 H new ATOM 0 HA LEU A 26 5.314 14.741 1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.013 13.535 4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.141 13.165 3.224 1.00 0.00 H new ATOM 0 HG LEU A 26 6.794 12.165 4.163 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.040 10.174 2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.772 10.741 4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.654 11.098 2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.604 11.812 1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.218 12.735 1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.451 13.547 2.216 1.00 0.00 H new ATOM 332 N GLN A 27 3.741 15.912 3.932 1.00 0.00 N ATOM 333 CA GLN A 27 3.075 17.007 4.608 1.00 0.00 C ATOM 334 C GLN A 27 3.257 16.873 6.113 1.00 0.00 C ATOM 335 O GLN A 27 2.900 15.851 6.695 1.00 0.00 O ATOM 336 CB GLN A 27 1.594 17.004 4.240 1.00 0.00 C ATOM 337 CG GLN A 27 1.421 17.536 2.820 1.00 0.00 C ATOM 338 CD GLN A 27 -0.044 17.521 2.409 1.00 0.00 C ATOM 339 OE1 GLN A 27 -0.649 18.573 2.218 1.00 0.00 O ATOM 340 NE2 GLN A 27 -0.615 16.321 2.275 1.00 0.00 N ATOM 0 H GLN A 27 3.120 15.156 3.644 1.00 0.00 H new ATOM 0 HA GLN A 27 3.513 17.954 4.293 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.192 15.993 4.312 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.033 17.621 4.942 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.810 18.552 2.758 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.004 16.929 2.127 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.071 15.475 2.445 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.595 16.250 2.003 1.00 0.00 H new ATOM 349 N ALA A 28 3.813 17.910 6.744 1.00 0.00 N ATOM 350 CA ALA A 28 4.039 17.902 8.175 1.00 0.00 C ATOM 351 C ALA A 28 2.710 18.019 8.908 1.00 0.00 C ATOM 352 O ALA A 28 1.906 18.898 8.603 1.00 0.00 O ATOM 353 CB ALA A 28 4.966 19.056 8.549 1.00 0.00 C ATOM 0 H ALA A 28 4.113 18.765 6.276 1.00 0.00 H new ATOM 0 HA ALA A 28 4.511 16.964 8.467 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.137 19.051 9.626 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.918 18.941 8.030 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.506 20.001 8.259 1.00 0.00 H new ATOM 359 N GLY A 29 2.479 17.131 9.877 1.00 0.00 N ATOM 360 CA GLY A 29 1.249 17.143 10.643 1.00 0.00 C ATOM 361 C GLY A 29 0.106 16.572 9.815 1.00 0.00 C ATOM 362 O GLY A 29 -1.052 16.640 10.221 1.00 0.00 O ATOM 0 H GLY A 29 3.134 16.396 10.144 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.374 16.558 11.554 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.012 18.162 10.948 1.00 0.00 H new ATOM 366 N THR A 30 0.434 16.008 8.651 1.00 0.00 N ATOM 367 CA THR A 30 -0.566 15.430 7.776 1.00 0.00 C ATOM 368 C THR A 30 -0.665 13.931 8.021 1.00 0.00 C ATOM 369 O THR A 30 0.351 13.246 8.114 1.00 0.00 O ATOM 370 CB THR A 30 -0.198 15.717 6.323 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.119 16.635 5.778 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.237 14.419 5.522 1.00 0.00 C ATOM 0 H THR A 30 1.389 15.943 8.299 1.00 0.00 H new ATOM 0 HA THR A 30 -1.538 15.876 7.986 1.00 0.00 H new ATOM 0 HB THR A 30 0.806 16.140 6.279 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.093 16.583 4.800 1.00 0.00 H new ATOM 0 HG21 THR A 30 0.026 14.624 4.484 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.475 13.710 5.944 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.240 13.995 5.565 1.00 0.00 H new ATOM 380 N ALA A 31 -1.895 13.423 8.125 1.00 0.00 N ATOM 381 CA ALA A 31 -2.122 12.011 8.358 1.00 0.00 C ATOM 382 C ALA A 31 -2.125 11.263 7.033 1.00 0.00 C ATOM 383 O ALA A 31 -2.466 11.832 5.998 1.00 0.00 O ATOM 384 CB ALA A 31 -3.449 11.824 9.088 1.00 0.00 C ATOM 0 H ALA A 31 -2.747 13.978 8.050 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.321 11.607 8.978 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.621 10.762 9.264 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.416 12.349 10.043 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.259 12.227 8.480 1.00 0.00 H new ATOM 390 N TYR A 32 -1.744 9.984 7.065 1.00 0.00 N ATOM 391 CA TYR A 32 -1.704 9.169 5.868 1.00 0.00 C ATOM 392 C TYR A 32 -2.275 7.790 6.163 1.00 0.00 C ATOM 393 O TYR A 32 -2.155 7.292 7.280 1.00 0.00 O ATOM 394 CB TYR A 32 -0.264 9.064 5.374 1.00 0.00 C ATOM 395 CG TYR A 32 0.221 10.303 4.659 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.367 10.686 3.447 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.257 11.068 5.207 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.082 11.835 2.784 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.705 12.217 4.544 1.00 0.00 C ATOM 400 CZ TYR A 32 1.118 12.600 3.333 1.00 0.00 C ATOM 401 OH TYR A 32 1.554 13.719 2.687 1.00 0.00 O ATOM 0 H TYR A 32 -1.459 9.497 7.915 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.309 9.631 5.088 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.389 8.866 6.224 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.181 8.210 4.701 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.166 10.096 3.024 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.711 10.772 6.141 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.371 12.131 1.849 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.504 12.808 4.967 1.00 0.00 H new ATOM 0 HH TYR A 32 1.040 13.841 1.862 1.00 0.00 H new ATOM 411 N ASP A 33 -2.898 7.173 5.156 1.00 0.00 N ATOM 412 CA ASP A 33 -3.485 5.857 5.313 1.00 0.00 C ATOM 413 C ASP A 33 -2.707 4.844 4.485 1.00 0.00 C ATOM 414 O ASP A 33 -2.672 4.938 3.260 1.00 0.00 O ATOM 415 CB ASP A 33 -4.948 5.898 4.882 1.00 0.00 C ATOM 416 CG ASP A 33 -5.412 4.531 4.399 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.255 4.274 3.186 1.00 0.00 O ATOM 418 OD2 ASP A 33 -5.914 3.769 5.253 1.00 0.00 O ATOM 0 H ASP A 33 -3.005 7.572 4.224 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.437 5.556 6.359 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.568 6.222 5.718 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.076 6.632 4.086 1.00 0.00 H new ATOM 423 N VAL A 34 -2.082 3.875 5.157 1.00 0.00 N ATOM 424 CA VAL A 34 -1.308 2.852 4.481 1.00 0.00 C ATOM 425 C VAL A 34 -2.133 1.578 4.361 1.00 0.00 C ATOM 426 O VAL A 34 -2.853 1.213 5.288 1.00 0.00 O ATOM 427 CB VAL A 34 -0.021 2.592 5.259 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.105 2.262 4.283 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.349 3.837 6.060 1.00 0.00 C ATOM 0 H VAL A 34 -2.102 3.784 6.173 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.048 3.189 3.478 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.170 1.753 5.939 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.025 2.076 4.838 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.841 1.373 3.710 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.255 3.101 3.603 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.268 3.652 6.616 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.499 4.676 5.380 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.455 4.074 6.757 1.00 0.00 H new ATOM 439 N GLY A 35 -2.027 0.901 3.216 1.00 0.00 N ATOM 440 CA GLY A 35 -2.764 -0.326 2.987 1.00 0.00 C ATOM 441 C GLY A 35 -2.164 -1.090 1.815 1.00 0.00 C ATOM 442 O GLY A 35 -1.488 -0.507 0.970 1.00 0.00 O ATOM 0 H GLY A 35 -1.435 1.189 2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.741 -0.945 3.884 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.810 -0.098 2.784 1.00 0.00 H new ATOM 446 N GLN A 36 -2.413 -2.401 1.765 1.00 0.00 N ATOM 447 CA GLN A 36 -1.897 -3.237 0.700 1.00 0.00 C ATOM 448 C GLN A 36 -3.024 -3.617 -0.251 1.00 0.00 C ATOM 449 O GLN A 36 -3.967 -4.300 0.143 1.00 0.00 O ATOM 450 CB GLN A 36 -1.253 -4.483 1.300 1.00 0.00 C ATOM 451 CG GLN A 36 -1.258 -5.607 0.268 1.00 0.00 C ATOM 452 CD GLN A 36 -0.734 -6.901 0.873 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.354 -7.465 1.772 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.413 -7.372 0.377 1.00 0.00 N ATOM 0 H GLN A 36 -2.972 -2.900 2.457 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.142 -2.689 0.136 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.231 -4.264 1.609 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.797 -4.792 2.193 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.271 -5.759 -0.105 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.643 -5.325 -0.586 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.891 -6.868 -0.370 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.811 -8.236 0.745 1.00 0.00 H new ATOM 463 N CYS A 37 -2.924 -3.173 -1.506 1.00 0.00 N ATOM 464 CA CYS A 37 -3.931 -3.468 -2.504 1.00 0.00 C ATOM 465 C CYS A 37 -3.430 -4.566 -3.432 1.00 0.00 C ATOM 466 O CYS A 37 -2.240 -4.872 -3.449 1.00 0.00 O ATOM 467 CB CYS A 37 -4.253 -2.200 -3.291 1.00 0.00 C ATOM 468 SG CYS A 37 -5.618 -1.233 -2.600 1.00 0.00 S ATOM 0 H CYS A 37 -2.148 -2.606 -1.847 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.841 -3.818 -2.017 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.362 -1.574 -3.332 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.498 -2.474 -4.317 1.00 0.00 H new ATOM 473 N ALA A 38 -4.343 -5.159 -4.205 1.00 0.00 N ATOM 474 CA ALA A 38 -3.990 -6.219 -5.129 1.00 0.00 C ATOM 475 C ALA A 38 -4.961 -6.225 -6.301 1.00 0.00 C ATOM 476 O ALA A 38 -6.151 -5.974 -6.125 1.00 0.00 O ATOM 477 CB ALA A 38 -4.016 -7.558 -4.398 1.00 0.00 C ATOM 0 H ALA A 38 -5.334 -4.916 -4.203 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.985 -6.051 -5.516 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.751 -8.356 -5.091 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.300 -7.538 -3.577 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.016 -7.738 -4.003 1.00 0.00 H new ATOM 483 N TRP A 39 -4.450 -6.512 -7.501 1.00 0.00 N ATOM 484 CA TRP A 39 -5.277 -6.549 -8.691 1.00 0.00 C ATOM 485 C TRP A 39 -6.291 -7.678 -8.582 1.00 0.00 C ATOM 486 O TRP A 39 -5.918 -8.838 -8.418 1.00 0.00 O ATOM 487 CB TRP A 39 -4.390 -6.735 -9.919 1.00 0.00 C ATOM 488 CG TRP A 39 -5.035 -7.458 -11.057 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.355 -7.441 -11.344 1.00 0.00 C ATOM 490 CD2 TRP A 39 -4.418 -8.308 -12.071 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.595 -8.217 -12.459 1.00 0.00 N ATOM 492 CE2 TRP A 39 -5.433 -8.776 -12.949 1.00 0.00 C ATOM 493 CE3 TRP A 39 -3.103 -8.730 -12.340 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -5.161 -9.617 -14.031 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.820 -9.574 -13.423 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.843 -10.018 -14.269 1.00 0.00 C ATOM 0 H TRP A 39 -3.465 -6.721 -7.665 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.821 -5.609 -8.790 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.066 -5.754 -10.267 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.494 -7.280 -9.623 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.107 -6.903 -10.786 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.517 -8.360 -12.870 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -2.298 -8.398 -11.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.959 -9.953 -14.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.802 -9.885 -13.607 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -3.615 -10.667 -15.102 1.00 0.00 H new ATOM 507 N VAL A 40 -7.578 -7.336 -8.673 1.00 0.00 N ATOM 508 CA VAL A 40 -8.640 -8.319 -8.585 1.00 0.00 C ATOM 509 C VAL A 40 -9.163 -8.637 -9.978 1.00 0.00 C ATOM 510 O VAL A 40 -9.187 -9.797 -10.384 1.00 0.00 O ATOM 511 CB VAL A 40 -9.757 -7.781 -7.697 1.00 0.00 C ATOM 512 CG1 VAL A 40 -11.099 -7.964 -8.400 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.767 -8.543 -6.375 1.00 0.00 C ATOM 0 H VAL A 40 -7.903 -6.379 -8.808 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.255 -9.239 -8.144 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.590 -6.721 -7.504 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.898 -7.580 -7.765 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.092 -7.420 -9.344 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.267 -9.024 -8.593 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.565 -8.159 -5.740 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.934 -9.603 -6.567 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.809 -8.412 -5.872 1.00 0.00 H new ATOM 523 N ASP A 41 -9.583 -7.603 -10.711 1.00 0.00 N ATOM 524 CA ASP A 41 -10.104 -7.778 -12.052 1.00 0.00 C ATOM 525 C ASP A 41 -9.447 -6.780 -12.994 1.00 0.00 C ATOM 526 O ASP A 41 -8.771 -5.855 -12.548 1.00 0.00 O ATOM 527 CB ASP A 41 -11.618 -7.592 -12.037 1.00 0.00 C ATOM 528 CG ASP A 41 -12.323 -8.825 -12.583 1.00 0.00 C ATOM 529 OD1 ASP A 41 -11.891 -9.297 -13.657 1.00 0.00 O ATOM 530 OD2 ASP A 41 -13.282 -9.273 -11.917 1.00 0.00 O ATOM 0 H ASP A 41 -9.569 -6.635 -10.389 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.879 -8.784 -12.406 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.954 -7.397 -11.019 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.887 -6.720 -12.634 1.00 0.00 H new ATOM 535 N THR A 42 -9.645 -6.967 -14.301 1.00 0.00 N ATOM 536 CA THR A 42 -9.070 -6.081 -15.293 1.00 0.00 C ATOM 537 C THR A 42 -9.375 -4.634 -14.934 1.00 0.00 C ATOM 538 O THR A 42 -10.523 -4.202 -15.006 1.00 0.00 O ATOM 539 CB THR A 42 -9.633 -6.427 -16.668 1.00 0.00 C ATOM 540 OG1 THR A 42 -9.394 -5.357 -17.556 1.00 0.00 O ATOM 541 CG2 THR A 42 -11.135 -6.670 -16.558 1.00 0.00 C ATOM 0 H THR A 42 -10.202 -7.728 -14.689 1.00 0.00 H new ATOM 0 HA THR A 42 -7.988 -6.207 -15.315 1.00 0.00 H new ATOM 0 HB THR A 42 -9.147 -7.327 -17.043 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.754 -5.579 -18.440 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.537 -6.917 -17.541 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.321 -7.496 -15.872 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.623 -5.770 -16.183 1.00 0.00 H new ATOM 549 N GLY A 43 -8.341 -3.883 -14.546 1.00 0.00 N ATOM 550 CA GLY A 43 -8.508 -2.491 -14.179 1.00 0.00 C ATOM 551 C GLY A 43 -9.244 -2.379 -12.851 1.00 0.00 C ATOM 552 O GLY A 43 -9.621 -1.285 -12.438 1.00 0.00 O ATOM 0 H GLY A 43 -7.382 -4.224 -14.481 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.534 -2.008 -14.104 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.065 -1.967 -14.956 1.00 0.00 H new ATOM 556 N VAL A 44 -9.448 -3.517 -12.184 1.00 0.00 N ATOM 557 CA VAL A 44 -10.136 -3.543 -10.909 1.00 0.00 C ATOM 558 C VAL A 44 -9.213 -4.104 -9.837 1.00 0.00 C ATOM 559 O VAL A 44 -8.682 -5.202 -9.984 1.00 0.00 O ATOM 560 CB VAL A 44 -11.400 -4.389 -11.031 1.00 0.00 C ATOM 561 CG1 VAL A 44 -12.145 -4.387 -9.700 1.00 0.00 C ATOM 562 CG2 VAL A 44 -12.299 -3.805 -12.118 1.00 0.00 C ATOM 0 H VAL A 44 -9.142 -4.432 -12.515 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.419 -2.530 -10.623 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.129 -5.412 -11.293 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.048 -4.991 -9.787 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.503 -4.803 -8.923 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.417 -3.365 -9.437 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.202 -4.409 -12.206 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.570 -2.782 -11.855 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.767 -3.807 -13.070 1.00 0.00 H new ATOM 572 N LEU A 45 -9.023 -3.346 -8.754 1.00 0.00 N ATOM 573 CA LEU A 45 -8.168 -3.770 -7.664 1.00 0.00 C ATOM 574 C LEU A 45 -8.938 -3.716 -6.352 1.00 0.00 C ATOM 575 O LEU A 45 -9.972 -3.059 -6.263 1.00 0.00 O ATOM 576 CB LEU A 45 -6.937 -2.870 -7.605 1.00 0.00 C ATOM 577 CG LEU A 45 -7.288 -1.574 -6.880 1.00 0.00 C ATOM 578 CD1 LEU A 45 -7.092 -1.761 -5.379 1.00 0.00 C ATOM 579 CD2 LEU A 45 -6.381 -0.452 -7.377 1.00 0.00 C ATOM 0 H LEU A 45 -9.456 -2.433 -8.617 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.844 -4.797 -7.830 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.125 -3.380 -7.087 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.585 -2.651 -8.613 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.328 -1.316 -7.080 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.343 -0.835 -4.861 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.740 -2.562 -5.024 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.052 -2.019 -5.177 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.631 0.474 -6.860 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.341 -0.710 -7.178 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.522 -0.318 -8.449 1.00 0.00 H new ATOM 591 N ALA A 46 -8.429 -4.411 -5.331 1.00 0.00 N ATOM 592 CA ALA A 46 -9.070 -4.441 -4.032 1.00 0.00 C ATOM 593 C ALA A 46 -8.045 -4.149 -2.945 1.00 0.00 C ATOM 594 O ALA A 46 -6.843 -4.267 -3.175 1.00 0.00 O ATOM 595 CB ALA A 46 -9.715 -5.806 -3.815 1.00 0.00 C ATOM 0 H ALA A 46 -7.571 -4.960 -5.389 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.846 -3.677 -3.987 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.197 -5.829 -2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.459 -5.984 -4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.950 -6.581 -3.861 1.00 0.00 H new ATOM 601 N CYS A 47 -8.523 -3.767 -1.759 1.00 0.00 N ATOM 602 CA CYS A 47 -7.649 -3.460 -0.644 1.00 0.00 C ATOM 603 C CYS A 47 -7.882 -4.458 0.482 1.00 0.00 C ATOM 604 O CYS A 47 -8.952 -5.054 0.574 1.00 0.00 O ATOM 605 CB CYS A 47 -7.914 -2.035 -0.168 1.00 0.00 C ATOM 606 SG CYS A 47 -6.747 -0.813 -0.818 1.00 0.00 S ATOM 0 H CYS A 47 -9.517 -3.665 -1.554 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.609 -3.535 -0.960 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.925 -1.748 -0.459 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.877 -2.014 0.921 1.00 0.00 H new ATOM 611 N ASN A 48 -6.875 -4.638 1.340 1.00 0.00 N ATOM 612 CA ASN A 48 -6.977 -5.561 2.452 1.00 0.00 C ATOM 613 C ASN A 48 -6.875 -4.802 3.767 1.00 0.00 C ATOM 614 O ASN A 48 -5.812 -4.287 4.109 1.00 0.00 O ATOM 615 CB ASN A 48 -5.872 -6.608 2.346 1.00 0.00 C ATOM 616 CG ASN A 48 -5.817 -7.470 3.599 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.748 -7.461 4.402 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.723 -8.216 3.765 1.00 0.00 N ATOM 0 H ASN A 48 -5.981 -4.151 1.278 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.943 -6.065 2.422 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.045 -7.238 1.474 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.912 -6.115 2.197 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.633 -8.813 4.587 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.977 -8.189 3.070 1.00 0.00 H new ATOM 625 N PRO A 49 -7.984 -4.734 4.506 1.00 0.00 N ATOM 626 CA PRO A 49 -8.075 -4.057 5.782 1.00 0.00 C ATOM 627 C PRO A 49 -7.335 -4.863 6.840 1.00 0.00 C ATOM 628 O PRO A 49 -7.274 -4.460 8.000 1.00 0.00 O ATOM 629 CB PRO A 49 -9.570 -3.995 6.087 1.00 0.00 C ATOM 630 CG PRO A 49 -10.109 -5.246 5.395 1.00 0.00 C ATOM 631 CD PRO A 49 -9.250 -5.328 4.135 1.00 0.00 C ATOM 0 HA PRO A 49 -7.628 -3.063 5.768 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.765 -4.010 7.159 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.026 -3.087 5.693 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.999 -6.133 6.019 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.169 -5.153 5.157 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.122 -6.361 3.811 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.711 -4.789 3.307 1.00 0.00 H new ATOM 639 N ALA A 50 -6.774 -6.006 6.438 1.00 0.00 N ATOM 640 CA ALA A 50 -6.045 -6.863 7.352 1.00 0.00 C ATOM 641 C ALA A 50 -4.580 -6.449 7.389 1.00 0.00 C ATOM 642 O ALA A 50 -3.828 -6.900 8.249 1.00 0.00 O ATOM 643 CB ALA A 50 -6.186 -8.316 6.908 1.00 0.00 C ATOM 0 H ALA A 50 -6.816 -6.353 5.480 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.456 -6.763 8.357 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.638 -8.961 7.595 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.239 -8.596 6.909 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.781 -8.430 5.902 1.00 0.00 H new ATOM 649 N ASP A 51 -4.177 -5.589 6.451 1.00 0.00 N ATOM 650 CA ASP A 51 -2.807 -5.122 6.380 1.00 0.00 C ATOM 651 C ASP A 51 -2.787 -3.611 6.198 1.00 0.00 C ATOM 652 O ASP A 51 -1.857 -3.068 5.608 1.00 0.00 O ATOM 653 CB ASP A 51 -2.093 -5.816 5.223 1.00 0.00 C ATOM 654 CG ASP A 51 -2.335 -7.318 5.258 1.00 0.00 C ATOM 655 OD1 ASP A 51 -2.926 -7.775 6.260 1.00 0.00 O ATOM 656 OD2 ASP A 51 -1.924 -7.982 4.281 1.00 0.00 O ATOM 0 H ASP A 51 -4.789 -5.205 5.731 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.287 -5.364 7.307 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.446 -5.409 4.276 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.023 -5.615 5.277 1.00 0.00 H new ATOM 661 N PHE A 52 -3.818 -2.933 6.708 1.00 0.00 N ATOM 662 CA PHE A 52 -3.911 -1.491 6.598 1.00 0.00 C ATOM 663 C PHE A 52 -3.511 -0.845 7.917 1.00 0.00 C ATOM 664 O PHE A 52 -4.154 -1.070 8.940 1.00 0.00 O ATOM 665 CB PHE A 52 -5.336 -1.102 6.215 1.00 0.00 C ATOM 666 CG PHE A 52 -6.116 -0.479 7.348 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.700 0.740 7.897 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.253 -1.122 7.851 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.422 1.316 8.949 1.00 0.00 C ATOM 670 CE2 PHE A 52 -7.975 -0.546 8.903 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.560 0.673 9.452 1.00 0.00 C ATOM 0 H PHE A 52 -4.598 -3.369 7.201 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.231 -1.137 5.823 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.301 -0.402 5.380 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.865 -1.989 5.865 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.822 1.236 7.509 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.573 -2.062 7.428 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.101 2.256 9.373 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.852 -1.042 9.291 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.117 1.118 10.263 1.00 0.00 H new ATOM 681 N SER A 53 -2.445 -0.041 7.892 1.00 0.00 N ATOM 682 CA SER A 53 -1.968 0.631 9.083 1.00 0.00 C ATOM 683 C SER A 53 -2.283 2.118 8.998 1.00 0.00 C ATOM 684 O SER A 53 -2.919 2.567 8.047 1.00 0.00 O ATOM 685 CB SER A 53 -0.466 0.404 9.227 1.00 0.00 C ATOM 686 OG SER A 53 0.011 1.113 10.349 1.00 0.00 O ATOM 0 H SER A 53 -1.900 0.155 7.052 1.00 0.00 H new ATOM 0 HA SER A 53 -2.470 0.223 9.961 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.257 -0.660 9.340 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.051 0.736 8.327 1.00 0.00 H new ATOM 0 HG SER A 53 0.975 0.966 10.443 1.00 0.00 H new ATOM 692 N SER A 54 -1.835 2.883 9.996 1.00 0.00 N ATOM 693 CA SER A 54 -2.069 4.312 10.027 1.00 0.00 C ATOM 694 C SER A 54 -0.884 5.016 10.673 1.00 0.00 C ATOM 695 O SER A 54 -0.185 4.431 11.497 1.00 0.00 O ATOM 696 CB SER A 54 -3.354 4.600 10.798 1.00 0.00 C ATOM 697 OG SER A 54 -3.197 4.196 12.140 1.00 0.00 O ATOM 0 H SER A 54 -1.307 2.526 10.792 1.00 0.00 H new ATOM 0 HA SER A 54 -2.179 4.688 9.010 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.588 5.664 10.752 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.191 4.070 10.343 1.00 0.00 H new ATOM 0 HG SER A 54 -4.021 4.382 12.636 1.00 0.00 H new ATOM 703 N VAL A 55 -0.660 6.278 10.297 1.00 0.00 N ATOM 704 CA VAL A 55 0.436 7.054 10.840 1.00 0.00 C ATOM 705 C VAL A 55 0.248 8.524 10.491 1.00 0.00 C ATOM 706 O VAL A 55 -0.421 8.851 9.514 1.00 0.00 O ATOM 707 CB VAL A 55 1.756 6.530 10.281 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.716 6.571 8.757 1.00 0.00 C ATOM 709 CG2 VAL A 55 2.903 7.403 10.783 1.00 0.00 C ATOM 0 H VAL A 55 -1.231 6.778 9.615 1.00 0.00 H new ATOM 0 HA VAL A 55 0.453 6.957 11.926 1.00 0.00 H new ATOM 0 HB VAL A 55 1.908 5.503 10.613 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.659 6.197 8.358 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.897 5.948 8.398 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.563 7.598 8.425 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.846 7.029 10.384 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.750 8.430 10.452 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.933 7.374 11.872 1.00 0.00 H new ATOM 719 N THR A 56 0.841 9.411 11.293 1.00 0.00 N ATOM 720 CA THR A 56 0.735 10.838 11.061 1.00 0.00 C ATOM 721 C THR A 56 2.123 11.459 11.004 1.00 0.00 C ATOM 722 O THR A 56 2.926 11.276 11.916 1.00 0.00 O ATOM 723 CB THR A 56 -0.097 11.472 12.172 1.00 0.00 C ATOM 724 OG1 THR A 56 -1.361 10.850 12.227 1.00 0.00 O ATOM 725 CG2 THR A 56 -0.274 12.961 11.888 1.00 0.00 C ATOM 0 H THR A 56 1.399 9.157 12.108 1.00 0.00 H new ATOM 0 HA THR A 56 0.241 11.018 10.106 1.00 0.00 H new ATOM 0 HB THR A 56 0.413 11.342 13.127 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.895 11.256 12.942 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.868 13.415 12.681 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.703 13.442 11.846 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.784 13.091 10.933 1.00 0.00 H new ATOM 733 N ALA A 57 2.403 12.197 9.927 1.00 0.00 N ATOM 734 CA ALA A 57 3.690 12.841 9.755 1.00 0.00 C ATOM 735 C ALA A 57 3.977 13.744 10.946 1.00 0.00 C ATOM 736 O ALA A 57 3.060 14.329 11.520 1.00 0.00 O ATOM 737 CB ALA A 57 3.687 13.642 8.457 1.00 0.00 C ATOM 0 H ALA A 57 1.747 12.359 9.163 1.00 0.00 H new ATOM 0 HA ALA A 57 4.475 12.087 9.699 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.654 14.127 8.326 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.500 12.973 7.617 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.904 14.399 8.499 1.00 0.00 H new ATOM 743 N ASP A 58 5.254 13.858 11.317 1.00 0.00 N ATOM 744 CA ASP A 58 5.654 14.687 12.436 1.00 0.00 C ATOM 745 C ASP A 58 5.909 16.109 11.958 1.00 0.00 C ATOM 746 O ASP A 58 5.596 16.448 10.819 1.00 0.00 O ATOM 747 CB ASP A 58 6.907 14.100 13.080 1.00 0.00 C ATOM 748 CG ASP A 58 8.073 14.103 12.102 1.00 0.00 C ATOM 749 OD1 ASP A 58 7.886 14.657 10.998 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.130 13.551 12.478 1.00 0.00 O ATOM 0 H ASP A 58 6.026 13.381 10.851 1.00 0.00 H new ATOM 0 HA ASP A 58 4.857 14.712 13.179 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.169 14.677 13.967 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.707 13.081 13.411 1.00 0.00 H new ATOM 755 N ALA A 59 6.477 16.942 12.833 1.00 0.00 N ATOM 756 CA ALA A 59 6.768 18.321 12.497 1.00 0.00 C ATOM 757 C ALA A 59 7.761 18.373 11.344 1.00 0.00 C ATOM 758 O ALA A 59 7.796 19.347 10.596 1.00 0.00 O ATOM 759 CB ALA A 59 7.328 19.036 13.724 1.00 0.00 C ATOM 0 H ALA A 59 6.742 16.676 13.781 1.00 0.00 H new ATOM 0 HA ALA A 59 5.852 18.824 12.185 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.547 20.074 13.472 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.594 19.005 14.529 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.243 18.540 14.048 1.00 0.00 H new ATOM 765 N ASN A 60 8.569 17.319 11.202 1.00 0.00 N ATOM 766 CA ASN A 60 9.555 17.252 10.143 1.00 0.00 C ATOM 767 C ASN A 60 8.910 16.730 8.867 1.00 0.00 C ATOM 768 O ASN A 60 9.593 16.506 7.870 1.00 0.00 O ATOM 769 CB ASN A 60 10.704 16.346 10.577 1.00 0.00 C ATOM 770 CG ASN A 60 11.653 17.083 11.511 1.00 0.00 C ATOM 771 OD1 ASN A 60 11.552 16.954 12.729 1.00 0.00 O ATOM 772 ND2 ASN A 60 12.578 17.856 10.937 1.00 0.00 N ATOM 0 H ASN A 60 8.552 16.503 11.814 1.00 0.00 H new ATOM 0 HA ASN A 60 9.949 18.249 9.945 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.307 15.463 11.078 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.249 15.997 9.700 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.241 18.372 11.515 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.621 17.930 9.921 1.00 0.00 H new ATOM 779 N GLY A 61 7.589 16.537 8.898 1.00 0.00 N ATOM 780 CA GLY A 61 6.865 16.044 7.744 1.00 0.00 C ATOM 781 C GLY A 61 7.299 14.622 7.417 1.00 0.00 C ATOM 782 O GLY A 61 6.925 14.079 6.379 1.00 0.00 O ATOM 0 H GLY A 61 7.006 16.718 9.715 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.793 16.068 7.941 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.047 16.693 6.887 1.00 0.00 H new ATOM 786 N SER A 62 8.092 14.019 8.306 1.00 0.00 N ATOM 787 CA SER A 62 8.571 12.666 8.107 1.00 0.00 C ATOM 788 C SER A 62 7.705 11.691 8.892 1.00 0.00 C ATOM 789 O SER A 62 7.395 11.930 10.057 1.00 0.00 O ATOM 790 CB SER A 62 10.028 12.573 8.551 1.00 0.00 C ATOM 791 OG SER A 62 10.593 11.378 8.061 1.00 0.00 O ATOM 0 H SER A 62 8.412 14.455 9.171 1.00 0.00 H new ATOM 0 HA SER A 62 8.509 12.406 7.050 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.588 13.431 8.180 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.090 12.598 9.639 1.00 0.00 H new ATOM 0 HG SER A 62 10.134 11.113 7.237 1.00 0.00 H new ATOM 797 N ALA A 63 7.314 10.588 8.249 1.00 0.00 N ATOM 798 CA ALA A 63 6.487 9.583 8.887 1.00 0.00 C ATOM 799 C ALA A 63 7.204 8.241 8.873 1.00 0.00 C ATOM 800 O ALA A 63 8.191 8.069 8.160 1.00 0.00 O ATOM 801 CB ALA A 63 5.150 9.490 8.159 1.00 0.00 C ATOM 0 H ALA A 63 7.563 10.376 7.283 1.00 0.00 H new ATOM 0 HA ALA A 63 6.302 9.862 9.924 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.527 8.735 8.638 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.646 10.455 8.200 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.321 9.213 7.119 1.00 0.00 H new ATOM 807 N SER A 64 6.706 7.288 9.664 1.00 0.00 N ATOM 808 CA SER A 64 7.300 5.968 9.737 1.00 0.00 C ATOM 809 C SER A 64 6.228 4.936 10.057 1.00 0.00 C ATOM 810 O SER A 64 5.523 5.059 11.056 1.00 0.00 O ATOM 811 CB SER A 64 8.393 5.961 10.802 1.00 0.00 C ATOM 812 OG SER A 64 7.809 5.774 12.072 1.00 0.00 O ATOM 0 H SER A 64 5.889 7.415 10.262 1.00 0.00 H new ATOM 0 HA SER A 64 7.746 5.712 8.776 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.109 5.165 10.598 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.945 6.901 10.778 1.00 0.00 H new ATOM 0 HG SER A 64 6.833 5.784 11.988 1.00 0.00 H new ATOM 818 N THR A 65 6.108 3.914 9.207 1.00 0.00 N ATOM 819 CA THR A 65 5.125 2.868 9.407 1.00 0.00 C ATOM 820 C THR A 65 5.527 1.622 8.632 1.00 0.00 C ATOM 821 O THR A 65 6.199 1.715 7.607 1.00 0.00 O ATOM 822 CB THR A 65 3.754 3.367 8.956 1.00 0.00 C ATOM 823 OG1 THR A 65 2.892 3.439 10.069 1.00 0.00 O ATOM 824 CG2 THR A 65 3.176 2.401 7.926 1.00 0.00 C ATOM 0 H THR A 65 6.685 3.796 8.374 1.00 0.00 H new ATOM 0 HA THR A 65 5.075 2.610 10.465 1.00 0.00 H new ATOM 0 HB THR A 65 3.855 4.356 8.510 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.961 3.445 9.762 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.197 2.756 7.603 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.843 2.344 7.066 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.074 1.412 8.372 1.00 0.00 H new ATOM 832 N SER A 66 5.112 0.453 9.124 1.00 0.00 N ATOM 833 CA SER A 66 5.430 -0.804 8.475 1.00 0.00 C ATOM 834 C SER A 66 4.166 -1.415 7.886 1.00 0.00 C ATOM 835 O SER A 66 3.137 -1.484 8.555 1.00 0.00 O ATOM 836 CB SER A 66 6.067 -1.751 9.487 1.00 0.00 C ATOM 837 OG SER A 66 6.519 -1.013 10.601 1.00 0.00 O ATOM 0 H SER A 66 4.554 0.359 9.973 1.00 0.00 H new ATOM 0 HA SER A 66 6.137 -0.630 7.664 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.343 -2.502 9.804 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.900 -2.284 9.028 1.00 0.00 H new ATOM 0 HG SER A 66 6.927 -1.621 11.252 1.00 0.00 H new ATOM 843 N LEU A 67 4.246 -1.860 6.630 1.00 0.00 N ATOM 844 CA LEU A 67 3.112 -2.464 5.959 1.00 0.00 C ATOM 845 C LEU A 67 3.354 -3.955 5.775 1.00 0.00 C ATOM 846 O LEU A 67 4.309 -4.354 5.111 1.00 0.00 O ATOM 847 CB LEU A 67 2.897 -1.781 4.611 1.00 0.00 C ATOM 848 CG LEU A 67 1.434 -1.916 4.200 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.103 -3.388 3.974 1.00 0.00 C ATOM 850 CD2 LEU A 67 0.542 -1.357 5.305 1.00 0.00 C ATOM 0 H LEU A 67 5.092 -1.809 6.062 1.00 0.00 H new ATOM 0 HA LEU A 67 2.215 -2.334 6.565 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.172 -0.728 4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.541 -2.232 3.856 1.00 0.00 H new ATOM 0 HG LEU A 67 1.262 -1.360 3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.058 -3.485 3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.740 -3.787 3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.274 -3.945 4.895 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.504 -1.453 5.012 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.713 -1.913 6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.778 -0.305 5.466 1.00 0.00 H new ATOM 862 N THR A 68 2.486 -4.780 6.364 1.00 0.00 N ATOM 863 CA THR A 68 2.612 -6.220 6.260 1.00 0.00 C ATOM 864 C THR A 68 2.293 -6.666 4.840 1.00 0.00 C ATOM 865 O THR A 68 1.413 -6.105 4.193 1.00 0.00 O ATOM 866 CB THR A 68 1.672 -6.886 7.260 1.00 0.00 C ATOM 867 OG1 THR A 68 1.603 -8.268 6.990 1.00 0.00 O ATOM 868 CG2 THR A 68 0.280 -6.273 7.137 1.00 0.00 C ATOM 0 H THR A 68 1.689 -4.466 6.918 1.00 0.00 H new ATOM 0 HA THR A 68 3.635 -6.516 6.491 1.00 0.00 H new ATOM 0 HB THR A 68 2.048 -6.731 8.271 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.435 -8.756 7.823 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.392 -6.749 7.852 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.333 -5.204 7.345 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.097 -6.427 6.126 1.00 0.00 H new ATOM 876 N VAL A 69 3.013 -7.682 4.357 1.00 0.00 N ATOM 877 CA VAL A 69 2.805 -8.200 3.020 1.00 0.00 C ATOM 878 C VAL A 69 2.050 -9.519 3.091 1.00 0.00 C ATOM 879 O VAL A 69 2.413 -10.403 3.864 1.00 0.00 O ATOM 880 CB VAL A 69 4.154 -8.384 2.331 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.117 -9.641 1.468 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.444 -7.171 1.451 1.00 0.00 C ATOM 0 H VAL A 69 3.747 -8.158 4.882 1.00 0.00 H new ATOM 0 HA VAL A 69 2.210 -7.495 2.440 1.00 0.00 H new ATOM 0 HB VAL A 69 4.936 -8.483 3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.080 -9.773 0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.909 -10.507 2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.335 -9.542 0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.407 -7.301 0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.662 -7.072 0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.470 -6.272 2.067 1.00 0.00 H new ATOM 892 N ARG A 70 0.998 -9.651 2.280 1.00 0.00 N ATOM 893 CA ARG A 70 0.198 -10.859 2.255 1.00 0.00 C ATOM 894 C ARG A 70 0.235 -11.473 0.863 1.00 0.00 C ATOM 895 O ARG A 70 0.427 -10.767 -0.124 1.00 0.00 O ATOM 896 CB ARG A 70 -1.235 -10.529 2.662 1.00 0.00 C ATOM 897 CG ARG A 70 -1.385 -10.691 4.172 1.00 0.00 C ATOM 898 CD ARG A 70 -0.119 -10.196 4.866 1.00 0.00 C ATOM 899 NE ARG A 70 -0.371 -9.913 6.279 1.00 0.00 N ATOM 900 CZ ARG A 70 -0.406 -10.870 7.216 1.00 0.00 C ATOM 901 NH1 ARG A 70 -0.206 -12.150 6.874 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.643 -10.548 8.495 1.00 0.00 N ATOM 0 H ARG A 70 0.686 -8.928 1.632 1.00 0.00 H new ATOM 0 HA ARG A 70 0.604 -11.583 2.961 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.482 -9.509 2.369 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.932 -11.187 2.144 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.249 -10.128 4.525 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.563 -11.737 4.420 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.666 -10.947 4.776 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.243 -9.295 4.370 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.527 -8.946 6.563 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.027 -12.396 5.900 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.233 -12.879 7.587 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.797 -9.574 8.756 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.670 -11.277 9.208 1.00 0.00 H new ATOM 916 N ARG A 71 0.050 -12.793 0.786 1.00 0.00 N ATOM 917 CA ARG A 71 0.064 -13.494 -0.482 1.00 0.00 C ATOM 918 C ARG A 71 -1.320 -13.445 -1.113 1.00 0.00 C ATOM 919 O ARG A 71 -1.457 -13.590 -2.326 1.00 0.00 O ATOM 920 CB ARG A 71 0.505 -14.938 -0.259 1.00 0.00 C ATOM 921 CG ARG A 71 -0.465 -15.624 0.699 1.00 0.00 C ATOM 922 CD ARG A 71 -0.332 -17.138 0.560 1.00 0.00 C ATOM 923 NE ARG A 71 -1.633 -17.794 0.692 1.00 0.00 N ATOM 924 CZ ARG A 71 -2.574 -17.738 -0.261 1.00 0.00 C ATOM 925 NH1 ARG A 71 -2.342 -17.060 -1.393 1.00 0.00 N ATOM 926 NH2 ARG A 71 -3.748 -18.359 -0.080 1.00 0.00 N ATOM 0 H ARG A 71 -0.111 -13.392 1.595 1.00 0.00 H new ATOM 0 HA ARG A 71 0.769 -13.013 -1.160 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.533 -15.472 -1.209 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.515 -14.962 0.150 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.254 -15.322 1.725 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.488 -15.316 0.480 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.105 -17.381 -0.409 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.350 -17.518 1.321 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.832 -18.316 1.545 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.449 -16.586 -1.530 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.058 -17.018 -2.118 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.925 -18.874 0.783 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.464 -18.317 -0.805 1.00 0.00 H new ATOM 940 N SER A 72 -2.348 -13.240 -0.287 1.00 0.00 N ATOM 941 CA SER A 72 -3.713 -13.172 -0.769 1.00 0.00 C ATOM 942 C SER A 72 -4.618 -12.613 0.321 1.00 0.00 C ATOM 943 O SER A 72 -4.327 -12.755 1.506 1.00 0.00 O ATOM 944 CB SER A 72 -4.172 -14.564 -1.192 1.00 0.00 C ATOM 945 OG SER A 72 -5.581 -14.593 -1.263 1.00 0.00 O ATOM 0 H SER A 72 -2.252 -13.119 0.721 1.00 0.00 H new ATOM 0 HA SER A 72 -3.765 -12.509 -1.632 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.743 -14.821 -2.160 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.818 -15.308 -0.478 1.00 0.00 H new ATOM 0 HG SER A 72 -5.890 -13.917 -1.902 1.00 0.00 H new ATOM 951 N PHE A 73 -5.721 -11.978 -0.084 1.00 0.00 N ATOM 952 CA PHE A 73 -6.660 -11.405 0.859 1.00 0.00 C ATOM 953 C PHE A 73 -7.867 -10.851 0.113 1.00 0.00 C ATOM 954 O PHE A 73 -7.836 -10.716 -1.108 1.00 0.00 O ATOM 955 CB PHE A 73 -5.968 -10.307 1.661 1.00 0.00 C ATOM 956 CG PHE A 73 -5.135 -9.376 0.813 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.744 -8.600 -0.180 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.753 -9.290 1.019 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.971 -7.738 -0.968 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.980 -8.428 0.232 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.589 -7.652 -0.761 1.00 0.00 C ATOM 0 H PHE A 73 -5.978 -11.852 -1.063 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.006 -12.176 1.548 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.722 -9.726 2.192 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.330 -10.767 2.416 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.810 -8.666 -0.339 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.283 -9.889 1.785 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.441 -7.140 -1.735 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.914 -8.362 0.391 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.993 -6.987 -1.368 1.00 0.00 H new ATOM 971 N GLU A 74 -8.931 -10.530 0.852 1.00 0.00 N ATOM 972 CA GLU A 74 -10.138 -9.992 0.256 1.00 0.00 C ATOM 973 C GLU A 74 -9.837 -8.660 -0.415 1.00 0.00 C ATOM 974 O GLU A 74 -9.312 -7.747 0.219 1.00 0.00 O ATOM 975 CB GLU A 74 -11.205 -9.826 1.334 1.00 0.00 C ATOM 976 CG GLU A 74 -10.609 -9.092 2.531 1.00 0.00 C ATOM 977 CD GLU A 74 -10.617 -9.976 3.770 1.00 0.00 C ATOM 978 OE1 GLU A 74 -11.694 -10.542 4.056 1.00 0.00 O ATOM 979 OE2 GLU A 74 -9.545 -10.070 4.407 1.00 0.00 O ATOM 0 H GLU A 74 -8.973 -10.637 1.866 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.510 -10.680 -0.503 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.054 -9.268 0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.580 -10.802 1.642 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.588 -8.787 2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.178 -8.182 2.725 1.00 0.00 H new ATOM 986 N GLY A 75 -10.170 -8.549 -1.703 1.00 0.00 N ATOM 987 CA GLY A 75 -9.933 -7.329 -2.448 1.00 0.00 C ATOM 988 C GLY A 75 -10.990 -6.288 -2.106 1.00 0.00 C ATOM 989 O GLY A 75 -12.041 -6.234 -2.742 1.00 0.00 O ATOM 0 H GLY A 75 -10.605 -9.296 -2.245 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.941 -6.940 -2.216 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.952 -7.538 -3.518 1.00 0.00 H new ATOM 993 N PHE A 76 -10.710 -5.459 -1.098 1.00 0.00 N ATOM 994 CA PHE A 76 -11.636 -4.427 -0.679 1.00 0.00 C ATOM 995 C PHE A 76 -11.473 -3.197 -1.561 1.00 0.00 C ATOM 996 O PHE A 76 -10.551 -2.408 -1.365 1.00 0.00 O ATOM 997 CB PHE A 76 -11.381 -4.080 0.785 1.00 0.00 C ATOM 998 CG PHE A 76 -12.487 -4.527 1.712 1.00 0.00 C ATOM 999 CD1 PHE A 76 -13.587 -3.692 1.943 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.411 -5.775 2.342 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -14.611 -4.105 2.803 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.435 -6.188 3.203 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.535 -5.353 3.433 1.00 0.00 C ATOM 0 H PHE A 76 -9.844 -5.490 -0.561 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.659 -4.789 -0.781 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.445 -4.540 1.101 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.254 -3.001 0.878 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.645 -2.729 1.457 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.563 -6.419 2.164 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -15.460 -3.461 2.981 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.376 -7.150 3.690 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.325 -5.672 4.097 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.372 -3.035 -2.534 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.324 -1.904 -3.440 1.00 0.00 C ATOM 1015 C LEU A 77 -12.306 -0.606 -2.645 1.00 0.00 C ATOM 1016 O LEU A 77 -12.982 -0.491 -1.625 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.530 -1.950 -4.374 1.00 0.00 C ATOM 1018 CG LEU A 77 -13.961 -0.527 -4.716 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.903 0.127 -5.600 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.294 -0.564 -5.460 1.00 0.00 C ATOM 0 H LEU A 77 -13.142 -3.680 -2.709 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.415 -1.952 -4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.278 -2.494 -5.284 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.351 -2.486 -3.899 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.073 0.049 -3.798 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.211 1.144 -5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.951 0.154 -5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.790 -0.449 -6.519 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.602 0.452 -5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.182 -1.140 -6.378 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.050 -1.031 -4.829 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.530 0.373 -3.115 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.430 1.654 -2.446 1.00 0.00 C ATOM 1034 C PHE A 78 -12.821 2.164 -2.096 1.00 0.00 C ATOM 1035 O PHE A 78 -13.037 2.686 -1.004 1.00 0.00 O ATOM 1036 CB PHE A 78 -10.702 2.644 -3.352 1.00 0.00 C ATOM 1037 CG PHE A 78 -9.248 2.832 -2.993 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -8.337 1.787 -3.189 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -8.809 4.054 -2.468 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -6.988 1.963 -2.858 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -7.460 4.230 -2.138 1.00 0.00 C ATOM 1042 CZ PHE A 78 -6.550 3.184 -2.333 1.00 0.00 C ATOM 0 H PHE A 78 -10.963 0.294 -3.960 1.00 0.00 H new ATOM 0 HA PHE A 78 -10.863 1.543 -1.522 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.772 2.299 -4.384 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.208 3.608 -3.303 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -8.675 0.845 -3.596 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.511 4.861 -2.318 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.286 1.156 -3.008 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.121 5.172 -1.733 1.00 0.00 H new ATOM 0 HZ PHE A 78 -5.509 3.320 -2.078 1.00 0.00 H new ATOM 1052 N ASP A 79 -13.766 2.012 -3.027 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.128 2.457 -2.813 1.00 0.00 C ATOM 1054 C ASP A 79 -15.701 1.784 -1.574 1.00 0.00 C ATOM 1055 O ASP A 79 -16.706 2.236 -1.029 1.00 0.00 O ATOM 1056 CB ASP A 79 -15.968 2.131 -4.044 1.00 0.00 C ATOM 1057 CG ASP A 79 -16.899 3.285 -4.389 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -16.364 4.369 -4.707 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -18.127 3.061 -4.329 1.00 0.00 O ATOM 0 H ASP A 79 -13.603 1.581 -3.937 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.143 3.535 -2.656 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.314 1.921 -4.890 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.553 1.229 -3.862 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.060 0.701 -1.129 1.00 0.00 N ATOM 1065 CA GLY A 80 -15.513 -0.024 0.041 1.00 0.00 C ATOM 1066 C GLY A 80 -16.409 -1.184 -0.370 1.00 0.00 C ATOM 1067 O GLY A 80 -17.296 -1.584 0.381 1.00 0.00 O ATOM 0 H GLY A 80 -14.225 0.313 -1.568 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -14.655 -0.398 0.600 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.058 0.647 0.705 1.00 0.00 H new ATOM 1071 N THR A 81 -16.176 -1.724 -1.569 1.00 0.00 N ATOM 1072 CA THR A 81 -16.963 -2.833 -2.070 1.00 0.00 C ATOM 1073 C THR A 81 -16.114 -4.096 -2.107 1.00 0.00 C ATOM 1074 O THR A 81 -15.072 -4.128 -2.757 1.00 0.00 O ATOM 1075 CB THR A 81 -17.489 -2.495 -3.461 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.711 -1.802 -3.346 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.707 -3.783 -4.250 1.00 0.00 C ATOM 0 H THR A 81 -15.446 -1.404 -2.205 1.00 0.00 H new ATOM 0 HA THR A 81 -17.811 -3.009 -1.408 1.00 0.00 H new ATOM 0 HB THR A 81 -16.764 -1.869 -3.981 1.00 0.00 H new ATOM 0 HG1 THR A 81 -19.048 -1.583 -4.240 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.083 -3.541 -5.244 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.762 -4.319 -4.340 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.432 -4.410 -3.730 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.564 -5.139 -1.405 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.846 -6.397 -1.360 1.00 0.00 C ATOM 1087 C ARG A 82 -15.811 -7.021 -2.748 1.00 0.00 C ATOM 1088 O ARG A 82 -16.723 -7.753 -3.125 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.525 -7.333 -0.364 1.00 0.00 C ATOM 1090 CG ARG A 82 -18.007 -7.451 -0.707 1.00 0.00 C ATOM 1091 CD ARG A 82 -18.839 -7.265 0.560 1.00 0.00 C ATOM 1092 NE ARG A 82 -19.068 -8.545 1.231 1.00 0.00 N ATOM 1093 CZ ARG A 82 -19.350 -8.639 2.537 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -19.433 -7.531 3.286 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -19.548 -9.841 3.095 1.00 0.00 N ATOM 0 H ARG A 82 -17.427 -5.128 -0.861 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.820 -6.223 -1.035 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.055 -8.316 -0.393 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.405 -6.952 0.650 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -18.281 -6.700 -1.448 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -18.212 -8.426 -1.150 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -18.328 -6.582 1.238 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -19.795 -6.807 0.307 1.00 0.00 H new ATOM 0 HE ARG A 82 -19.010 -9.402 0.681 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -19.281 -6.616 2.862 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -19.648 -7.603 4.281 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -19.484 -10.685 2.525 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -19.763 -9.912 4.090 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.754 -6.730 -3.509 1.00 0.00 N ATOM 1110 CA TRP A 83 -14.609 -7.266 -4.848 1.00 0.00 C ATOM 1111 C TRP A 83 -14.515 -8.784 -4.790 1.00 0.00 C ATOM 1112 O TRP A 83 -15.326 -9.483 -5.394 1.00 0.00 O ATOM 1113 CB TRP A 83 -13.365 -6.672 -5.501 1.00 0.00 C ATOM 1114 CG TRP A 83 -13.579 -6.118 -6.874 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -13.610 -4.805 -7.189 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -13.793 -6.835 -8.128 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -13.828 -4.661 -8.544 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -13.948 -5.884 -9.172 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -13.872 -8.191 -8.490 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -14.170 -6.255 -10.501 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -14.094 -8.576 -9.820 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -14.243 -7.613 -10.826 1.00 0.00 C ATOM 0 H TRP A 83 -13.989 -6.124 -3.213 1.00 0.00 H new ATOM 0 HA TRP A 83 -15.480 -6.999 -5.446 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.980 -5.878 -4.861 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -12.596 -7.443 -5.552 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -13.484 -3.993 -6.488 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -13.892 -3.762 -9.022 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -13.760 -8.950 -7.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -14.284 -5.502 -11.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -14.151 -9.625 -10.071 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -14.413 -7.918 -11.848 1.00 0.00 H new ATOM 1133 N GLY A 84 -13.520 -9.295 -4.060 1.00 0.00 N ATOM 1134 CA GLY A 84 -13.329 -10.726 -3.930 1.00 0.00 C ATOM 1135 C GLY A 84 -11.879 -11.035 -3.584 1.00 0.00 C ATOM 1136 O GLY A 84 -11.026 -10.152 -3.628 1.00 0.00 O ATOM 0 H GLY A 84 -12.838 -8.731 -3.553 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.987 -11.119 -3.155 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.602 -11.222 -4.861 1.00 0.00 H new ATOM 1140 N THR A 85 -11.601 -12.294 -3.238 1.00 0.00 N ATOM 1141 CA THR A 85 -10.258 -12.709 -2.888 1.00 0.00 C ATOM 1142 C THR A 85 -9.307 -12.414 -4.039 1.00 0.00 C ATOM 1143 O THR A 85 -9.653 -12.618 -5.201 1.00 0.00 O ATOM 1144 CB THR A 85 -10.257 -14.198 -2.553 1.00 0.00 C ATOM 1145 OG1 THR A 85 -11.552 -14.590 -2.154 1.00 0.00 O ATOM 1146 CG2 THR A 85 -9.273 -14.464 -1.418 1.00 0.00 C ATOM 0 H THR A 85 -12.296 -13.039 -3.195 1.00 0.00 H new ATOM 0 HA THR A 85 -9.919 -12.153 -2.014 1.00 0.00 H new ATOM 0 HB THR A 85 -9.959 -14.768 -3.433 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.553 -15.546 -1.940 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.272 -15.527 -1.179 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.272 -14.161 -1.725 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.570 -13.894 -0.538 1.00 0.00 H new ATOM 1154 N VAL A 86 -8.105 -11.933 -3.713 1.00 0.00 N ATOM 1155 CA VAL A 86 -7.111 -11.614 -4.718 1.00 0.00 C ATOM 1156 C VAL A 86 -5.808 -12.332 -4.399 1.00 0.00 C ATOM 1157 O VAL A 86 -5.418 -12.428 -3.238 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.900 -10.103 -4.761 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -6.666 -9.581 -3.346 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -5.686 -9.784 -5.628 1.00 0.00 C ATOM 0 H VAL A 86 -7.804 -11.758 -2.754 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.456 -11.947 -5.697 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.784 -9.625 -5.183 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -6.515 -8.502 -3.377 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.533 -9.809 -2.726 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.782 -10.059 -2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.535 -8.705 -5.659 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.802 -10.262 -5.206 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -5.853 -10.156 -6.639 1.00 0.00 H new ATOM 1170 N ASP A 87 -5.134 -12.837 -5.435 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.881 -13.543 -5.260 1.00 0.00 C ATOM 1172 C ASP A 87 -2.717 -12.575 -5.420 1.00 0.00 C ATOM 1173 O ASP A 87 -2.273 -12.316 -6.536 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.788 -14.674 -6.280 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.213 -15.999 -5.664 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -5.300 -16.014 -5.045 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -3.444 -16.971 -5.822 1.00 0.00 O ATOM 0 H ASP A 87 -5.444 -12.765 -6.404 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.837 -13.971 -4.258 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.421 -14.448 -7.138 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.766 -14.752 -6.650 1.00 0.00 H new ATOM 1182 N CYS A 88 -2.225 -12.040 -4.301 1.00 0.00 N ATOM 1183 CA CYS A 88 -1.118 -11.104 -4.322 1.00 0.00 C ATOM 1184 C CYS A 88 0.064 -11.723 -5.055 1.00 0.00 C ATOM 1185 O CYS A 88 0.947 -11.010 -5.526 1.00 0.00 O ATOM 1186 CB CYS A 88 -0.736 -10.737 -2.891 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.781 -8.959 -2.552 1.00 0.00 S ATOM 0 H CYS A 88 -2.583 -12.245 -3.368 1.00 0.00 H new ATOM 0 HA CYS A 88 -1.412 -10.196 -4.849 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -1.412 -11.245 -2.203 1.00 0.00 H new ATOM 0 HB3 CYS A 88 0.267 -11.111 -2.686 1.00 0.00 H new ATOM 1192 N THR A 89 0.081 -13.055 -5.149 1.00 0.00 N ATOM 1193 CA THR A 89 1.155 -13.756 -5.823 1.00 0.00 C ATOM 1194 C THR A 89 0.824 -13.913 -7.301 1.00 0.00 C ATOM 1195 O THR A 89 1.590 -14.515 -8.051 1.00 0.00 O ATOM 1196 CB THR A 89 1.361 -15.119 -5.168 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.127 -15.797 -5.095 1.00 0.00 O ATOM 1198 CG2 THR A 89 1.920 -14.927 -3.760 1.00 0.00 C ATOM 0 H THR A 89 -0.642 -13.662 -4.763 1.00 0.00 H new ATOM 0 HA THR A 89 2.078 -13.182 -5.738 1.00 0.00 H new ATOM 0 HB THR A 89 2.063 -15.705 -5.761 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.259 -16.673 -4.676 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.067 -15.900 -3.291 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.874 -14.403 -3.816 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.218 -14.341 -3.167 1.00 0.00 H new ATOM 1206 N THR A 90 -0.321 -13.370 -7.719 1.00 0.00 N ATOM 1207 CA THR A 90 -0.743 -13.453 -9.102 1.00 0.00 C ATOM 1208 C THR A 90 -0.754 -12.065 -9.726 1.00 0.00 C ATOM 1209 O THR A 90 -0.584 -11.923 -10.935 1.00 0.00 O ATOM 1210 CB THR A 90 -2.129 -14.089 -9.173 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.024 -15.473 -8.927 1.00 0.00 O ATOM 1212 CG2 THR A 90 -2.722 -13.863 -10.561 1.00 0.00 C ATOM 0 H THR A 90 -0.968 -12.868 -7.111 1.00 0.00 H new ATOM 0 HA THR A 90 -0.043 -14.073 -9.661 1.00 0.00 H new ATOM 0 HB THR A 90 -2.776 -13.634 -8.423 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.914 -15.881 -8.971 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.712 -14.317 -10.612 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.803 -12.793 -10.752 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.075 -14.317 -11.311 1.00 0.00 H new ATOM 1220 N ALA A 91 -0.955 -11.039 -8.896 1.00 0.00 N ATOM 1221 CA ALA A 91 -0.988 -9.669 -9.367 1.00 0.00 C ATOM 1222 C ALA A 91 0.053 -8.844 -8.625 1.00 0.00 C ATOM 1223 O ALA A 91 0.792 -9.371 -7.797 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.385 -9.094 -9.156 1.00 0.00 C ATOM 0 H ALA A 91 -1.097 -11.141 -7.891 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.754 -9.640 -10.431 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.412 -8.063 -9.510 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.111 -9.687 -9.712 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.633 -9.120 -8.095 1.00 0.00 H new ATOM 1230 N ALA A 92 0.111 -7.544 -8.925 1.00 0.00 N ATOM 1231 CA ALA A 92 1.060 -6.654 -8.288 1.00 0.00 C ATOM 1232 C ALA A 92 0.430 -6.026 -7.053 1.00 0.00 C ATOM 1233 O ALA A 92 -0.665 -5.473 -7.126 1.00 0.00 O ATOM 1234 CB ALA A 92 1.493 -5.578 -9.281 1.00 0.00 C ATOM 0 H ALA A 92 -0.495 -7.091 -9.609 1.00 0.00 H new ATOM 0 HA ALA A 92 1.940 -7.217 -7.976 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.207 -4.908 -8.803 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.960 -6.048 -10.146 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.621 -5.009 -9.604 1.00 0.00 H new ATOM 1240 N CYS A 93 1.125 -6.114 -5.917 1.00 0.00 N ATOM 1241 CA CYS A 93 0.632 -5.556 -4.674 1.00 0.00 C ATOM 1242 C CYS A 93 1.388 -4.276 -4.348 1.00 0.00 C ATOM 1243 O CYS A 93 2.536 -4.111 -4.754 1.00 0.00 O ATOM 1244 CB CYS A 93 0.799 -6.581 -3.556 1.00 0.00 C ATOM 1245 SG CYS A 93 0.718 -8.301 -4.117 1.00 0.00 S ATOM 0 H CYS A 93 2.034 -6.570 -5.841 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.426 -5.315 -4.774 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.757 -6.415 -3.064 1.00 0.00 H new ATOM 0 HB3 CYS A 93 0.024 -6.417 -2.807 1.00 0.00 H new ATOM 1250 N GLN A 94 0.741 -3.368 -3.614 1.00 0.00 N ATOM 1251 CA GLN A 94 1.354 -2.109 -3.240 1.00 0.00 C ATOM 1252 C GLN A 94 0.743 -1.602 -1.942 1.00 0.00 C ATOM 1253 O GLN A 94 -0.436 -1.829 -1.677 1.00 0.00 O ATOM 1254 CB GLN A 94 1.155 -1.095 -4.364 1.00 0.00 C ATOM 1255 CG GLN A 94 -0.027 -0.190 -4.029 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.649 0.381 -5.295 1.00 0.00 C ATOM 1257 OE1 GLN A 94 -1.406 -0.303 -5.980 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -0.328 1.639 -5.605 1.00 0.00 N ATOM 0 H GLN A 94 -0.211 -3.490 -3.270 1.00 0.00 H new ATOM 0 HA GLN A 94 2.423 -2.253 -3.082 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.058 -0.499 -4.494 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.975 -1.612 -5.307 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.776 -0.754 -3.473 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.304 0.623 -3.383 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.305 2.167 -5.004 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.716 2.073 -6.443 1.00 0.00 H new ATOM 1267 N VAL A 95 1.549 -0.914 -1.130 1.00 0.00 N ATOM 1268 CA VAL A 95 1.086 -0.378 0.134 1.00 0.00 C ATOM 1269 C VAL A 95 1.109 1.143 0.089 1.00 0.00 C ATOM 1270 O VAL A 95 1.828 1.731 -0.717 1.00 0.00 O ATOM 1271 CB VAL A 95 1.973 -0.899 1.262 1.00 0.00 C ATOM 1272 CG1 VAL A 95 1.870 0.035 2.463 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.514 -2.298 1.664 1.00 0.00 C ATOM 0 H VAL A 95 2.529 -0.719 -1.335 1.00 0.00 H new ATOM 0 HA VAL A 95 0.061 -0.701 0.317 1.00 0.00 H new ATOM 0 HB VAL A 95 3.008 -0.939 0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.503 -0.337 3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.197 1.034 2.176 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.836 0.076 2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.147 -2.671 2.469 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.479 -2.258 2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.588 -2.966 0.806 1.00 0.00 H new ATOM 1283 N GLY A 96 0.320 1.781 0.956 1.00 0.00 N ATOM 1284 CA GLY A 96 0.258 3.228 1.007 1.00 0.00 C ATOM 1285 C GLY A 96 -0.651 3.678 2.142 1.00 0.00 C ATOM 1286 O GLY A 96 -1.434 2.887 2.664 1.00 0.00 O ATOM 0 H GLY A 96 -0.283 1.310 1.630 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.258 3.637 1.149 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.113 3.617 0.059 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.545 4.953 2.523 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.355 5.502 3.592 1.00 0.00 C ATOM 1292 C LEU A 97 -2.046 6.772 3.117 1.00 0.00 C ATOM 1293 O LEU A 97 -1.389 7.706 2.663 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.472 5.788 4.803 1.00 0.00 C ATOM 1295 CG LEU A 97 0.513 6.903 4.462 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.607 7.875 5.635 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.888 6.301 4.187 1.00 0.00 C ATOM 0 H LEU A 97 0.100 5.621 2.099 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.121 4.781 3.879 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.087 6.079 5.654 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.068 4.887 5.094 1.00 0.00 H new ATOM 0 HG LEU A 97 0.167 7.436 3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.310 8.671 5.392 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.375 8.305 5.831 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.953 7.343 6.521 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.592 7.097 3.943 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.235 5.768 5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.821 5.607 3.349 1.00 0.00 H new ATOM 1309 N SER A 98 -3.376 6.805 3.222 1.00 0.00 N ATOM 1310 CA SER A 98 -4.147 7.958 2.805 1.00 0.00 C ATOM 1311 C SER A 98 -4.796 8.612 4.017 1.00 0.00 C ATOM 1312 O SER A 98 -4.998 7.964 5.041 1.00 0.00 O ATOM 1313 CB SER A 98 -5.204 7.524 1.794 1.00 0.00 C ATOM 1314 OG SER A 98 -4.601 7.341 0.533 1.00 0.00 O ATOM 0 H SER A 98 -3.936 6.038 3.595 1.00 0.00 H new ATOM 0 HA SER A 98 -3.489 8.688 2.333 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.677 6.598 2.121 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.990 8.277 1.728 1.00 0.00 H new ATOM 0 HG SER A 98 -5.279 7.061 -0.116 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.122 9.901 3.898 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.745 10.635 4.981 1.00 0.00 C ATOM 1322 C ASP A 99 -7.190 10.953 4.624 1.00 0.00 C ATOM 1323 O ASP A 99 -7.764 10.325 3.738 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.958 11.916 5.246 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.504 13.070 4.417 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.535 12.913 3.177 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.879 14.087 5.038 1.00 0.00 O ATOM 0 H ASP A 99 -4.960 10.452 3.055 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.741 10.028 5.887 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.010 12.167 6.305 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.906 11.757 5.008 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.776 11.933 5.316 1.00 0.00 N ATOM 1333 CA ALA A 100 -9.149 12.327 5.070 1.00 0.00 C ATOM 1334 C ALA A 100 -9.267 12.940 3.681 1.00 0.00 C ATOM 1335 O ALA A 100 -10.153 12.573 2.913 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.591 13.322 6.139 1.00 0.00 C ATOM 0 H ALA A 100 -7.312 12.465 6.052 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.797 11.452 5.117 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.623 13.619 5.955 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.517 12.857 7.122 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.949 14.202 6.105 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.371 13.876 3.362 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.381 14.535 2.071 1.00 0.00 C ATOM 1344 C ALA A 101 -8.036 13.532 0.979 1.00 0.00 C ATOM 1345 O ALA A 101 -8.432 13.705 -0.172 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.381 15.688 2.082 1.00 0.00 C ATOM 0 H ALA A 101 -7.630 14.190 3.988 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.375 14.935 1.869 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.387 16.184 1.112 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.658 16.403 2.857 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.382 15.301 2.285 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.297 12.481 1.340 1.00 0.00 N ATOM 1353 CA GLY A 102 -6.906 11.462 0.387 1.00 0.00 C ATOM 1354 C GLY A 102 -5.499 11.731 -0.127 1.00 0.00 C ATOM 1355 O GLY A 102 -5.236 11.601 -1.320 1.00 0.00 O ATOM 0 H GLY A 102 -6.961 12.321 2.290 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.947 10.480 0.858 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.608 11.446 -0.447 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.594 12.109 0.778 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.221 12.394 0.412 1.00 0.00 C ATOM 1361 C ASN A 103 -2.285 11.408 1.097 1.00 0.00 C ATOM 1362 O ASN A 103 -2.641 10.815 2.113 1.00 0.00 O ATOM 1363 CB ASN A 103 -2.878 13.828 0.806 1.00 0.00 C ATOM 1364 CG ASN A 103 -3.513 14.191 2.141 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.072 13.530 3.213 1.00 0.00 O flip ATOM 1366 ND2 ASN A 103 -4.388 15.052 2.200 1.00 0.00 N flip ATOM 0 H ASN A 103 -4.797 12.223 1.771 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.100 12.287 -0.666 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -1.796 13.943 0.870 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.226 14.515 0.034 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.691 15.530 1.351 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -4.811 15.289 3.098 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.085 11.235 0.539 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.109 10.323 1.101 1.00 0.00 C ATOM 1375 C GLY A 104 1.216 10.447 0.362 1.00 0.00 C ATOM 1376 O GLY A 104 1.326 11.207 -0.597 1.00 0.00 O ATOM 0 H GLY A 104 -0.773 11.719 -0.303 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.035 10.541 2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.477 9.299 1.033 1.00 0.00 H new ATOM 1380 N PRO A 105 2.224 9.696 0.812 1.00 0.00 N ATOM 1381 CA PRO A 105 3.551 9.682 0.236 1.00 0.00 C ATOM 1382 C PRO A 105 3.518 8.960 -1.104 1.00 0.00 C ATOM 1383 O PRO A 105 2.649 8.123 -1.339 1.00 0.00 O ATOM 1384 CB PRO A 105 4.408 8.922 1.246 1.00 0.00 C ATOM 1385 CG PRO A 105 3.408 7.959 1.882 1.00 0.00 C ATOM 1386 CD PRO A 105 2.129 8.791 1.937 1.00 0.00 C ATOM 0 HA PRO A 105 3.943 10.682 0.050 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.228 8.392 0.762 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.851 9.590 1.984 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.279 7.057 1.284 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.727 7.641 2.875 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.244 8.160 1.862 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.053 9.337 2.878 1.00 0.00 H new ATOM 1394 N GLU A 106 4.468 9.286 -1.984 1.00 0.00 N ATOM 1395 CA GLU A 106 4.539 8.668 -3.292 1.00 0.00 C ATOM 1396 C GLU A 106 4.150 7.199 -3.194 1.00 0.00 C ATOM 1397 O GLU A 106 4.799 6.428 -2.491 1.00 0.00 O ATOM 1398 CB GLU A 106 5.953 8.817 -3.847 1.00 0.00 C ATOM 1399 CG GLU A 106 6.954 8.818 -2.696 1.00 0.00 C ATOM 1400 CD GLU A 106 8.201 8.025 -3.060 1.00 0.00 C ATOM 1401 OE1 GLU A 106 8.045 7.033 -3.804 1.00 0.00 O ATOM 1402 OE2 GLU A 106 9.286 8.425 -2.586 1.00 0.00 O ATOM 0 H GLU A 106 5.196 9.977 -1.805 1.00 0.00 H new ATOM 0 HA GLU A 106 3.842 9.162 -3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.173 8.000 -4.534 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.036 9.743 -4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 106 7.229 9.843 -2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.492 8.389 -1.807 1.00 0.00 H new ATOM 1409 N GLY A 107 3.087 6.812 -3.904 1.00 0.00 N ATOM 1410 CA GLY A 107 2.622 5.440 -3.891 1.00 0.00 C ATOM 1411 C GLY A 107 3.805 4.483 -3.838 1.00 0.00 C ATOM 1412 O GLY A 107 4.910 4.834 -4.245 1.00 0.00 O ATOM 0 H GLY A 107 2.537 7.437 -4.493 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.974 5.276 -3.030 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.025 5.242 -4.781 1.00 0.00 H new ATOM 1416 N VAL A 108 3.570 3.269 -3.334 1.00 0.00 N ATOM 1417 CA VAL A 108 4.613 2.269 -3.230 1.00 0.00 C ATOM 1418 C VAL A 108 4.238 1.046 -4.056 1.00 0.00 C ATOM 1419 O VAL A 108 3.347 0.289 -3.678 1.00 0.00 O ATOM 1420 CB VAL A 108 4.811 1.892 -1.765 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.246 0.432 -1.669 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.885 2.784 -1.151 1.00 0.00 C ATOM 0 H VAL A 108 2.659 2.963 -2.992 1.00 0.00 H new ATOM 0 HA VAL A 108 5.549 2.672 -3.617 1.00 0.00 H new ATOM 0 HB VAL A 108 3.874 2.028 -1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.388 0.163 -0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.479 -0.206 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.183 0.295 -2.209 1.00 0.00 H new ATOM 0 HG21 VAL A 108 6.027 2.515 -0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.822 2.649 -1.691 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.574 3.827 -1.219 1.00 0.00 H new ATOM 1432 N ALA A 109 4.921 0.856 -5.187 1.00 0.00 N ATOM 1433 CA ALA A 109 4.657 -0.271 -6.059 1.00 0.00 C ATOM 1434 C ALA A 109 5.468 -1.476 -5.604 1.00 0.00 C ATOM 1435 O ALA A 109 6.696 -1.434 -5.599 1.00 0.00 O ATOM 1436 CB ALA A 109 5.008 0.106 -7.496 1.00 0.00 C ATOM 0 H ALA A 109 5.662 1.476 -5.514 1.00 0.00 H new ATOM 0 HA ALA A 109 3.600 -0.532 -6.013 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.810 -0.741 -8.153 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.402 0.957 -7.807 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.063 0.372 -7.555 1.00 0.00 H new ATOM 1442 N ILE A 110 4.776 -2.552 -5.222 1.00 0.00 N ATOM 1443 CA ILE A 110 5.432 -3.763 -4.769 1.00 0.00 C ATOM 1444 C ILE A 110 5.503 -4.768 -5.911 1.00 0.00 C ATOM 1445 O ILE A 110 4.738 -4.677 -6.868 1.00 0.00 O ATOM 1446 CB ILE A 110 4.665 -4.343 -3.584 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.234 -3.213 -2.654 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.564 -5.313 -2.823 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.431 -3.789 -1.491 1.00 0.00 C ATOM 0 H ILE A 110 3.757 -2.601 -5.221 1.00 0.00 H new ATOM 0 HA ILE A 110 6.449 -3.534 -4.449 1.00 0.00 H new ATOM 0 HB ILE A 110 3.783 -4.872 -3.946 1.00 0.00 H new ATOM 0 HG12 ILE A 110 5.109 -2.683 -2.278 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.632 -2.487 -3.201 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.017 -5.728 -1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 110 5.872 -6.121 -3.487 1.00 0.00 H new ATOM 0 HG23 ILE A 110 6.446 -4.784 -2.461 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.123 -2.982 -0.826 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.548 -4.299 -1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 110 4.048 -4.498 -0.939 1.00 0.00 H new ATOM 1461 N SER A 111 6.424 -5.728 -5.807 1.00 0.00 N ATOM 1462 CA SER A 111 6.588 -6.743 -6.829 1.00 0.00 C ATOM 1463 C SER A 111 6.952 -8.072 -6.183 1.00 0.00 C ATOM 1464 O SER A 111 7.939 -8.162 -5.457 1.00 0.00 O ATOM 1465 CB SER A 111 7.670 -6.304 -7.811 1.00 0.00 C ATOM 1466 OG SER A 111 7.314 -6.709 -9.114 1.00 0.00 O ATOM 0 H SER A 111 7.066 -5.817 -5.019 1.00 0.00 H new ATOM 0 HA SER A 111 5.652 -6.871 -7.373 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.791 -5.221 -7.775 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.629 -6.741 -7.532 1.00 0.00 H new ATOM 0 HG SER A 111 8.008 -6.426 -9.746 1.00 0.00 H new ATOM 1472 N PHE A 112 6.152 -9.107 -6.450 1.00 0.00 N ATOM 1473 CA PHE A 112 6.396 -10.423 -5.896 1.00 0.00 C ATOM 1474 C PHE A 112 7.247 -11.239 -6.858 1.00 0.00 C ATOM 1475 O PHE A 112 6.911 -11.365 -8.033 1.00 0.00 O ATOM 1476 CB PHE A 112 5.063 -11.116 -5.630 1.00 0.00 C ATOM 1477 CG PHE A 112 4.264 -10.482 -4.517 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.855 -9.147 -4.622 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.936 -11.227 -3.378 1.00 0.00 C ATOM 1480 CE1 PHE A 112 3.117 -8.558 -3.589 1.00 0.00 C ATOM 1481 CE2 PHE A 112 3.197 -10.638 -2.345 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.788 -9.303 -2.450 1.00 0.00 C ATOM 0 H PHE A 112 5.329 -9.049 -7.050 1.00 0.00 H new ATOM 0 HA PHE A 112 6.937 -10.331 -4.954 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.469 -11.106 -6.544 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.249 -12.161 -5.383 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.109 -8.572 -5.500 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.253 -12.256 -3.296 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.801 -7.528 -3.670 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.942 -11.213 -1.467 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.219 -8.848 -1.653 1.00 0.00 H new ATOM 1492 N ASN A 113 8.353 -11.795 -6.356 1.00 0.00 N ATOM 1493 CA ASN A 113 9.243 -12.595 -7.173 1.00 0.00 C ATOM 1494 C ASN A 113 9.451 -11.924 -8.523 1.00 0.00 C ATOM 1495 O ASN A 113 10.360 -11.111 -8.682 1.00 0.00 O ATOM 1496 CB ASN A 113 8.652 -13.991 -7.349 1.00 0.00 C ATOM 1497 CG ASN A 113 7.343 -13.933 -8.123 1.00 0.00 C ATOM 1498 OD1 ASN A 113 6.230 -13.764 -7.407 1.00 0.00 O flip ATOM 1499 ND2 ASN A 113 7.339 -14.041 -9.348 1.00 0.00 N flip ATOM 0 H ASN A 113 8.646 -11.700 -5.384 1.00 0.00 H new ATOM 0 HA ASN A 113 10.212 -12.683 -6.682 1.00 0.00 H new ATOM 0 HB2 ASN A 113 9.363 -14.627 -7.876 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.482 -14.444 -6.372 1.00 0.00 H new ATOM 0 HD21 ASN A 113 8.217 -14.169 -9.852 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.458 -14.003 -9.860 1.00 0.00 H new TER 1506 ASN A 113