USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=26 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 14 SER OG : rot 109:sc= 0.295 USER MOD Set 1.2: A 113 ASN : amide:sc= 0.948 K(o=1.2,f=0.38) USER MOD Single : A 1 ALA N :NH3+ -112:sc= 0.0787 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.00762 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -170:sc= -0.0847 USER MOD Single : A 10 SER OG : rot 180:sc= -0.0889 USER MOD Single : A 11 SER OG : rot 180:sc= -0.705 USER MOD Single : A 17 THR OG1 : rot 123:sc= 1.3 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.222 K(o=-0.22,f=-0.78) USER MOD Single : A 30 THR OG1 : rot 92:sc= 1.07 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.939 USER MOD Single : A 36 GLN : amide:sc= 1.63! C(o=1.6!,f=-6.4!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0179 USER MOD Single : A 48 ASN : amide:sc= -4.73! C(o=-4.7!,f=-11!) USER MOD Single : A 53 SER OG : rot 153:sc= 0.138 USER MOD Single : A 54 SER OG : rot 180:sc= 0.149 USER MOD Single : A 56 THR OG1 : rot 24:sc= 0.0314 USER MOD Single : A 60 ASN : amide:sc= 0.414 X(o=0.41,f=0) USER MOD Single : A 62 SER OG : rot 66:sc= 1.2 USER MOD Single : A 64 SER OG : rot 1:sc= 0.938 USER MOD Single : A 65 THR OG1 : rot 110:sc=-0.00433 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 112:sc= 1.27 USER MOD Single : A 72 SER OG : rot -67:sc= 1.28 USER MOD Single : A 81 THR OG1 : rot 102:sc= 0.824 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 59:sc= 0.437 USER MOD Single : A 90 THR OG1 : rot -39:sc= 0.522 USER MOD Single : A 94 GLN : amide:sc= -0.105 K(o=-0.1,f=-3.5!) USER MOD Single : A 98 SER OG : rot 127:sc= 0.546 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.550 5.001 16.104 1.00 0.00 N ATOM 2 CA ALA A 1 -16.970 3.740 15.461 1.00 0.00 C ATOM 3 C ALA A 1 -15.758 2.883 15.143 1.00 0.00 C ATOM 4 O ALA A 1 -14.643 3.394 15.023 1.00 0.00 O ATOM 5 CB ALA A 1 -17.758 4.027 14.195 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.867 5.008 17.094 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.513 5.079 16.072 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.973 5.806 15.599 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.612 3.195 16.153 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -18.060 3.087 13.733 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.644 4.611 14.443 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.136 4.590 13.499 1.00 0.00 H new ATOM 11 N ALA A 2 -15.977 1.585 15.008 1.00 0.00 N ATOM 12 CA ALA A 2 -14.900 0.658 14.696 1.00 0.00 C ATOM 13 C ALA A 2 -14.978 0.205 13.242 1.00 0.00 C ATOM 14 O ALA A 2 -15.897 -0.523 12.865 1.00 0.00 O ATOM 15 CB ALA A 2 -14.947 -0.547 15.624 1.00 0.00 C ATOM 0 H ALA A 2 -16.893 1.148 15.110 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.954 1.178 14.845 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.134 -1.229 15.376 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.840 -0.215 16.657 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.901 -1.061 15.505 1.00 0.00 H new ATOM 21 N PRO A 3 -14.025 0.639 12.401 1.00 0.00 N ATOM 22 CA PRO A 3 -13.995 0.268 10.984 1.00 0.00 C ATOM 23 C PRO A 3 -13.662 -1.206 10.784 1.00 0.00 C ATOM 24 O PRO A 3 -13.021 -1.830 11.629 1.00 0.00 O ATOM 25 CB PRO A 3 -12.889 1.148 10.396 1.00 0.00 C ATOM 26 CG PRO A 3 -12.015 1.491 11.552 1.00 0.00 C ATOM 27 CD PRO A 3 -12.904 1.523 12.764 1.00 0.00 C ATOM 0 HA PRO A 3 -14.965 0.414 10.508 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.332 0.618 9.623 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.302 2.045 9.933 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.222 0.752 11.672 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.531 2.456 11.400 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.383 1.164 13.652 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.247 2.534 12.982 1.00 0.00 H new ATOM 35 N THR A 4 -14.102 -1.757 9.668 1.00 0.00 N ATOM 36 CA THR A 4 -13.856 -3.150 9.356 1.00 0.00 C ATOM 37 C THR A 4 -12.877 -3.270 8.190 1.00 0.00 C ATOM 38 O THR A 4 -13.277 -3.386 7.032 1.00 0.00 O ATOM 39 CB THR A 4 -15.175 -3.867 9.014 1.00 0.00 C ATOM 40 OG1 THR A 4 -16.235 -2.903 8.885 1.00 0.00 O ATOM 41 CG2 THR A 4 -15.534 -4.874 10.094 1.00 0.00 C ATOM 0 H THR A 4 -14.636 -1.255 8.958 1.00 0.00 H new ATOM 0 HA THR A 4 -13.417 -3.625 10.233 1.00 0.00 H new ATOM 0 HB THR A 4 -15.045 -4.397 8.070 1.00 0.00 H new ATOM 0 HG1 THR A 4 -17.072 -3.364 8.666 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.469 -5.370 9.833 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.741 -5.617 10.177 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.650 -4.359 11.048 1.00 0.00 H new ATOM 49 N ALA A 5 -11.590 -3.236 8.500 1.00 0.00 N ATOM 50 CA ALA A 5 -10.562 -3.323 7.472 1.00 0.00 C ATOM 51 C ALA A 5 -10.063 -4.751 7.306 1.00 0.00 C ATOM 52 O ALA A 5 -9.281 -5.242 8.123 1.00 0.00 O ATOM 53 CB ALA A 5 -9.401 -2.389 7.794 1.00 0.00 C ATOM 0 H ALA A 5 -11.232 -3.149 9.451 1.00 0.00 H new ATOM 0 HA ALA A 5 -11.010 -3.012 6.528 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.643 -2.468 7.014 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.763 -1.362 7.845 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.965 -2.668 8.753 1.00 0.00 H new ATOM 59 N THR A 6 -10.522 -5.411 6.250 1.00 0.00 N ATOM 60 CA THR A 6 -10.119 -6.777 5.968 1.00 0.00 C ATOM 61 C THR A 6 -8.983 -6.791 4.954 1.00 0.00 C ATOM 62 O THR A 6 -9.130 -6.306 3.833 1.00 0.00 O ATOM 63 CB THR A 6 -11.297 -7.602 5.423 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.531 -6.995 5.821 1.00 0.00 O ATOM 65 CG2 THR A 6 -11.240 -9.032 5.941 1.00 0.00 C ATOM 0 H THR A 6 -11.176 -5.017 5.574 1.00 0.00 H new ATOM 0 HA THR A 6 -9.782 -7.224 6.903 1.00 0.00 H new ATOM 0 HB THR A 6 -11.232 -7.625 4.335 1.00 0.00 H new ATOM 0 HG1 THR A 6 -13.281 -7.520 5.472 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.083 -9.597 5.543 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.308 -9.498 5.622 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.289 -9.027 7.030 1.00 0.00 H new ATOM 73 N VAL A 7 -7.847 -7.323 5.351 1.00 0.00 N ATOM 74 CA VAL A 7 -6.698 -7.387 4.465 1.00 0.00 C ATOM 75 C VAL A 7 -6.158 -8.803 4.384 1.00 0.00 C ATOM 76 O VAL A 7 -6.040 -9.492 5.395 1.00 0.00 O ATOM 77 CB VAL A 7 -5.567 -6.434 4.907 1.00 0.00 C ATOM 78 CG1 VAL A 7 -5.876 -5.005 4.487 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.342 -6.509 6.408 1.00 0.00 C ATOM 0 H VAL A 7 -7.692 -7.717 6.279 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.045 -7.070 3.481 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.649 -6.752 4.412 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.067 -4.349 4.808 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.974 -4.958 3.402 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.809 -4.683 4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.540 -5.827 6.690 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.258 -6.227 6.928 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.067 -7.527 6.684 1.00 0.00 H new ATOM 89 N THR A 8 -5.861 -9.247 3.174 1.00 0.00 N ATOM 90 CA THR A 8 -5.319 -10.579 2.968 1.00 0.00 C ATOM 91 C THR A 8 -3.807 -10.506 2.782 1.00 0.00 C ATOM 92 O THR A 8 -3.321 -10.142 1.707 1.00 0.00 O ATOM 93 CB THR A 8 -5.955 -11.261 1.743 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.364 -10.996 1.713 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.718 -12.764 1.777 1.00 0.00 C ATOM 0 H THR A 8 -5.986 -8.704 2.320 1.00 0.00 H new ATOM 0 HA THR A 8 -5.553 -11.173 3.851 1.00 0.00 H new ATOM 0 HB THR A 8 -5.489 -10.856 0.845 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.788 -11.556 1.029 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.176 -13.224 0.902 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.646 -12.964 1.773 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.161 -13.182 2.681 1.00 0.00 H new ATOM 103 N PRO A 9 -3.042 -10.829 3.835 1.00 0.00 N ATOM 104 CA PRO A 9 -1.586 -10.787 3.785 1.00 0.00 C ATOM 105 C PRO A 9 -0.995 -11.986 3.051 1.00 0.00 C ATOM 106 O PRO A 9 -1.428 -13.126 3.231 1.00 0.00 O ATOM 107 CB PRO A 9 -1.184 -10.795 5.260 1.00 0.00 C ATOM 108 CG PRO A 9 -2.291 -11.510 5.957 1.00 0.00 C ATOM 109 CD PRO A 9 -3.541 -11.263 5.153 1.00 0.00 C ATOM 0 HA PRO A 9 -1.217 -9.920 3.237 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.231 -11.304 5.407 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.066 -9.781 5.643 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.080 -12.577 6.025 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.408 -11.142 6.976 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.148 -12.165 5.072 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.167 -10.498 5.614 1.00 0.00 H new ATOM 117 N SER A 10 -0.008 -11.718 2.210 1.00 0.00 N ATOM 118 CA SER A 10 0.661 -12.761 1.448 1.00 0.00 C ATOM 119 C SER A 10 1.876 -13.282 2.214 1.00 0.00 C ATOM 120 O SER A 10 2.938 -13.521 1.638 1.00 0.00 O ATOM 121 CB SER A 10 1.079 -12.206 0.086 1.00 0.00 C ATOM 122 OG SER A 10 -0.003 -11.525 -0.534 1.00 0.00 O ATOM 0 H SER A 10 0.350 -10.779 2.037 1.00 0.00 H new ATOM 0 HA SER A 10 -0.025 -13.594 1.296 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.921 -11.525 0.209 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.418 -13.020 -0.555 1.00 0.00 H new ATOM 0 HG SER A 10 0.285 -11.176 -1.403 1.00 0.00 H new ATOM 128 N SER A 11 1.705 -13.448 3.519 1.00 0.00 N ATOM 129 CA SER A 11 2.766 -13.930 4.390 1.00 0.00 C ATOM 130 C SER A 11 3.171 -15.363 4.038 1.00 0.00 C ATOM 131 O SER A 11 2.420 -16.312 4.283 1.00 0.00 O ATOM 132 CB SER A 11 2.292 -13.857 5.840 1.00 0.00 C ATOM 133 OG SER A 11 1.392 -12.774 6.018 1.00 0.00 O ATOM 0 H SER A 11 0.828 -13.252 4.002 1.00 0.00 H new ATOM 0 HA SER A 11 3.644 -13.299 4.253 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.804 -14.792 6.116 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.149 -13.737 6.503 1.00 0.00 H new ATOM 0 HG SER A 11 1.097 -12.744 6.952 1.00 0.00 H new ATOM 139 N GLY A 12 4.357 -15.510 3.458 1.00 0.00 N ATOM 140 CA GLY A 12 4.846 -16.820 3.080 1.00 0.00 C ATOM 141 C GLY A 12 4.747 -17.064 1.589 1.00 0.00 C ATOM 142 O GLY A 12 5.103 -18.139 1.103 1.00 0.00 O ATOM 0 H GLY A 12 4.990 -14.740 3.243 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.885 -16.922 3.394 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.277 -17.584 3.609 1.00 0.00 H new ATOM 146 N LEU A 13 4.266 -16.071 0.860 1.00 0.00 N ATOM 147 CA LEU A 13 4.123 -16.197 -0.581 1.00 0.00 C ATOM 148 C LEU A 13 5.240 -15.444 -1.294 1.00 0.00 C ATOM 149 O LEU A 13 5.844 -14.545 -0.721 1.00 0.00 O ATOM 150 CB LEU A 13 2.753 -15.684 -1.024 1.00 0.00 C ATOM 151 CG LEU A 13 1.556 -16.334 -0.317 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.247 -15.808 -0.892 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.626 -17.856 -0.437 1.00 0.00 C ATOM 0 H LEU A 13 3.969 -15.172 1.240 1.00 0.00 H new ATOM 0 HA LEU A 13 4.198 -17.251 -0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.714 -14.608 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.652 -15.844 -2.097 1.00 0.00 H new ATOM 0 HG LEU A 13 1.595 -16.072 0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.591 -16.280 -0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.196 -14.728 -0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.198 -16.039 -1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.770 -18.301 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.612 -18.139 -1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.547 -18.215 0.023 1.00 0.00 H new ATOM 165 N SER A 14 5.517 -15.826 -2.530 1.00 0.00 N ATOM 166 CA SER A 14 6.576 -15.200 -3.311 1.00 0.00 C ATOM 167 C SER A 14 6.108 -13.892 -3.953 1.00 0.00 C ATOM 168 O SER A 14 5.033 -13.377 -3.638 1.00 0.00 O ATOM 169 CB SER A 14 7.049 -16.178 -4.384 1.00 0.00 C ATOM 170 OG SER A 14 7.340 -17.442 -3.815 1.00 0.00 O ATOM 0 H SER A 14 5.021 -16.571 -3.018 1.00 0.00 H new ATOM 0 HA SER A 14 7.401 -14.954 -2.642 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.280 -16.286 -5.149 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.937 -15.783 -4.878 1.00 0.00 H new ATOM 0 HG SER A 14 6.657 -18.089 -4.089 1.00 0.00 H new ATOM 176 N ASP A 15 6.929 -13.351 -4.845 1.00 0.00 N ATOM 177 CA ASP A 15 6.597 -12.115 -5.544 1.00 0.00 C ATOM 178 C ASP A 15 5.554 -12.393 -6.619 1.00 0.00 C ATOM 179 O ASP A 15 5.323 -13.550 -6.988 1.00 0.00 O ATOM 180 CB ASP A 15 7.846 -11.484 -6.172 1.00 0.00 C ATOM 181 CG ASP A 15 8.387 -12.281 -7.346 1.00 0.00 C ATOM 182 OD1 ASP A 15 7.943 -12.051 -8.488 1.00 0.00 O ATOM 183 OD2 ASP A 15 9.269 -13.139 -7.130 1.00 0.00 O ATOM 0 H ASP A 15 7.832 -13.750 -5.102 1.00 0.00 H new ATOM 0 HA ASP A 15 6.190 -11.410 -4.819 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.608 -10.474 -6.505 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.622 -11.395 -5.412 1.00 0.00 H new ATOM 188 N GLY A 16 4.924 -11.342 -7.114 1.00 0.00 N ATOM 189 CA GLY A 16 3.909 -11.499 -8.138 1.00 0.00 C ATOM 190 C GLY A 16 2.579 -11.925 -7.551 1.00 0.00 C ATOM 191 O GLY A 16 1.662 -12.311 -8.277 1.00 0.00 O ATOM 0 H GLY A 16 5.096 -10.379 -6.826 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.785 -10.558 -8.674 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.239 -12.240 -8.866 1.00 0.00 H new ATOM 195 N THR A 17 2.479 -11.855 -6.234 1.00 0.00 N ATOM 196 CA THR A 17 1.264 -12.231 -5.540 1.00 0.00 C ATOM 197 C THR A 17 0.316 -11.041 -5.447 1.00 0.00 C ATOM 198 O THR A 17 0.752 -9.895 -5.314 1.00 0.00 O ATOM 199 CB THR A 17 1.574 -12.765 -4.127 1.00 0.00 C ATOM 200 OG1 THR A 17 2.550 -13.810 -4.212 1.00 0.00 O ATOM 201 CG2 THR A 17 0.322 -13.300 -3.454 1.00 0.00 C ATOM 0 H THR A 17 3.232 -11.539 -5.623 1.00 0.00 H new ATOM 0 HA THR A 17 0.785 -13.026 -6.111 1.00 0.00 H new ATOM 0 HB THR A 17 1.960 -11.939 -3.529 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.327 -13.577 -3.662 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.573 -13.669 -2.460 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.415 -12.501 -3.369 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.092 -14.114 -4.049 1.00 0.00 H new ATOM 209 N VAL A 18 -0.974 -11.319 -5.538 1.00 0.00 N ATOM 210 CA VAL A 18 -1.986 -10.285 -5.474 1.00 0.00 C ATOM 211 C VAL A 18 -2.521 -10.134 -4.055 1.00 0.00 C ATOM 212 O VAL A 18 -3.116 -11.060 -3.499 1.00 0.00 O ATOM 213 CB VAL A 18 -3.156 -10.595 -6.428 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.117 -9.419 -6.497 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.635 -10.951 -7.812 1.00 0.00 C ATOM 0 H VAL A 18 -1.344 -12.262 -5.657 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.515 -9.351 -5.781 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.701 -11.455 -6.038 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.936 -9.658 -7.176 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.516 -9.217 -5.503 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.589 -8.538 -6.862 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.475 -11.167 -8.472 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.064 -10.113 -8.213 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.992 -11.828 -7.744 1.00 0.00 H new ATOM 225 N VAL A 19 -2.291 -8.968 -3.475 1.00 0.00 N ATOM 226 CA VAL A 19 -2.758 -8.666 -2.130 1.00 0.00 C ATOM 227 C VAL A 19 -4.159 -8.071 -2.194 1.00 0.00 C ATOM 228 O VAL A 19 -4.389 -7.091 -2.903 1.00 0.00 O ATOM 229 CB VAL A 19 -1.815 -7.673 -1.417 1.00 0.00 C ATOM 230 CG1 VAL A 19 -2.223 -7.485 0.036 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.372 -8.143 -1.509 1.00 0.00 C ATOM 0 H VAL A 19 -1.778 -8.207 -3.920 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.772 -9.596 -1.562 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.896 -6.710 -1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.543 -6.781 0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.240 -7.096 0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.178 -8.443 0.553 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.276 -7.429 -1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.277 -9.121 -1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.079 -8.217 -2.556 1.00 0.00 H new ATOM 241 N LYS A 20 -5.090 -8.670 -1.467 1.00 0.00 N ATOM 242 CA LYS A 20 -6.466 -8.200 -1.462 1.00 0.00 C ATOM 243 C LYS A 20 -6.733 -7.294 -0.265 1.00 0.00 C ATOM 244 O LYS A 20 -6.553 -7.698 0.890 1.00 0.00 O ATOM 245 CB LYS A 20 -7.432 -9.384 -1.446 1.00 0.00 C ATOM 246 CG LYS A 20 -8.898 -8.982 -1.551 1.00 0.00 C ATOM 247 CD LYS A 20 -9.818 -10.194 -1.517 1.00 0.00 C ATOM 248 CE LYS A 20 -9.774 -10.969 -2.824 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.488 -12.268 -2.720 1.00 0.00 N ATOM 0 H LYS A 20 -4.918 -9.482 -0.874 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.626 -7.621 -2.372 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.188 -10.052 -2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.285 -9.949 -0.526 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.151 -8.310 -0.731 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.058 -8.429 -2.477 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.527 -10.849 -0.696 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.840 -9.870 -1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.222 -10.370 -3.617 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.736 -11.146 -3.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.436 -12.767 -3.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.044 -12.850 -1.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.484 -12.098 -2.475 1.00 0.00 H new ATOM 263 N VAL A 21 -7.153 -6.072 -0.552 1.00 0.00 N ATOM 264 CA VAL A 21 -7.463 -5.096 0.482 1.00 0.00 C ATOM 265 C VAL A 21 -8.947 -4.744 0.431 1.00 0.00 C ATOM 266 O VAL A 21 -9.463 -4.374 -0.625 1.00 0.00 O ATOM 267 CB VAL A 21 -6.626 -3.806 0.316 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.988 -2.774 1.373 1.00 0.00 C ATOM 269 CG2 VAL A 21 -5.139 -4.123 0.371 1.00 0.00 C ATOM 0 H VAL A 21 -7.288 -5.729 -1.503 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.216 -5.542 1.445 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.857 -3.382 -0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.383 -1.879 1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.043 -2.517 1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.798 -3.186 2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.566 -3.203 0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.899 -4.578 1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.885 -4.815 -0.432 1.00 0.00 H new ATOM 279 N ALA A 22 -9.632 -4.891 1.557 1.00 0.00 N ATOM 280 CA ALA A 22 -11.056 -4.591 1.634 1.00 0.00 C ATOM 281 C ALA A 22 -11.372 -3.748 2.865 1.00 0.00 C ATOM 282 O ALA A 22 -11.558 -4.275 3.962 1.00 0.00 O ATOM 283 CB ALA A 22 -11.860 -5.881 1.651 1.00 0.00 C ATOM 0 H ALA A 22 -9.223 -5.217 2.433 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.334 -4.013 0.752 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.923 -5.647 1.709 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.662 -6.445 0.740 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.573 -6.477 2.517 1.00 0.00 H new ATOM 289 N GLY A 23 -11.420 -2.440 2.682 1.00 0.00 N ATOM 290 CA GLY A 23 -11.713 -1.552 3.787 1.00 0.00 C ATOM 291 C GLY A 23 -13.185 -1.210 3.862 1.00 0.00 C ATOM 292 O GLY A 23 -13.702 -0.491 3.007 1.00 0.00 O ATOM 0 H GLY A 23 -11.261 -1.976 1.788 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.401 -2.020 4.721 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.133 -0.636 3.680 1.00 0.00 H new ATOM 296 N ALA A 24 -13.864 -1.735 4.869 1.00 0.00 N ATOM 297 CA ALA A 24 -15.285 -1.479 5.046 1.00 0.00 C ATOM 298 C ALA A 24 -15.528 -0.493 6.182 1.00 0.00 C ATOM 299 O ALA A 24 -14.742 -0.413 7.133 1.00 0.00 O ATOM 300 CB ALA A 24 -16.029 -2.780 5.306 1.00 0.00 C ATOM 0 H ALA A 24 -13.453 -2.342 5.578 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.665 -1.034 4.126 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.091 -2.572 5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.892 -3.453 4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.638 -3.249 6.209 1.00 0.00 H new ATOM 306 N GLY A 25 -16.620 0.256 6.082 1.00 0.00 N ATOM 307 CA GLY A 25 -16.947 1.228 7.106 1.00 0.00 C ATOM 308 C GLY A 25 -16.022 2.427 7.066 1.00 0.00 C ATOM 309 O GLY A 25 -15.695 3.006 8.107 1.00 0.00 O ATOM 0 H GLY A 25 -17.284 0.207 5.310 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.977 1.560 6.975 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.887 0.756 8.087 1.00 0.00 H new ATOM 313 N LEU A 26 -15.589 2.793 5.870 1.00 0.00 N ATOM 314 CA LEU A 26 -14.696 3.928 5.691 1.00 0.00 C ATOM 315 C LEU A 26 -15.489 5.166 5.286 1.00 0.00 C ATOM 316 O LEU A 26 -16.723 5.139 5.257 1.00 0.00 O ATOM 317 CB LEU A 26 -13.628 3.604 4.639 1.00 0.00 C ATOM 318 CG LEU A 26 -12.693 2.441 4.986 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.646 2.257 3.898 1.00 0.00 C ATOM 320 CD2 LEU A 26 -12.031 2.668 6.336 1.00 0.00 C ATOM 0 H LEU A 26 -15.843 2.318 5.004 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.196 4.133 6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.128 3.377 3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.024 4.496 4.473 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.287 1.529 5.048 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.990 1.427 4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.140 2.043 2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.056 3.169 3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.371 1.831 6.563 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.450 3.590 6.306 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.796 2.747 7.108 1.00 0.00 H new ATOM 332 N GLN A 27 -14.788 6.244 4.972 1.00 0.00 N ATOM 333 CA GLN A 27 -15.433 7.487 4.587 1.00 0.00 C ATOM 334 C GLN A 27 -15.791 7.470 3.104 1.00 0.00 C ATOM 335 O GLN A 27 -14.921 7.588 2.239 1.00 0.00 O ATOM 336 CB GLN A 27 -14.528 8.676 4.905 1.00 0.00 C ATOM 337 CG GLN A 27 -15.258 10.010 4.900 1.00 0.00 C ATOM 338 CD GLN A 27 -16.364 10.073 5.937 1.00 0.00 C ATOM 339 OE1 GLN A 27 -16.278 9.454 6.998 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.407 10.827 5.640 1.00 0.00 N ATOM 0 H GLN A 27 -13.769 6.282 4.977 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.354 7.589 5.160 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.071 8.524 5.883 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.718 8.711 4.177 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.544 10.812 5.087 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.682 10.185 3.911 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.440 11.324 4.750 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.179 10.912 6.301 1.00 0.00 H new ATOM 349 N ALA A 28 -17.077 7.323 2.821 1.00 0.00 N ATOM 350 CA ALA A 28 -17.572 7.272 1.451 1.00 0.00 C ATOM 351 C ALA A 28 -17.257 8.555 0.689 1.00 0.00 C ATOM 352 O ALA A 28 -17.370 9.660 1.230 1.00 0.00 O ATOM 353 CB ALA A 28 -19.070 7.015 1.453 1.00 0.00 C ATOM 0 H ALA A 28 -17.805 7.236 3.530 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.064 6.454 0.940 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.434 6.978 0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.275 6.065 1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.576 7.818 1.989 1.00 0.00 H new ATOM 359 N GLY A 29 -16.855 8.397 -0.565 1.00 0.00 N ATOM 360 CA GLY A 29 -16.534 9.541 -1.397 1.00 0.00 C ATOM 361 C GLY A 29 -15.113 10.031 -1.198 1.00 0.00 C ATOM 362 O GLY A 29 -14.806 11.186 -1.489 1.00 0.00 O ATOM 0 H GLY A 29 -16.745 7.492 -1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.679 9.275 -2.444 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.228 10.352 -1.175 1.00 0.00 H new ATOM 366 N THR A 30 -14.248 9.166 -0.697 1.00 0.00 N ATOM 367 CA THR A 30 -12.860 9.530 -0.466 1.00 0.00 C ATOM 368 C THR A 30 -11.933 8.616 -1.251 1.00 0.00 C ATOM 369 O THR A 30 -12.184 7.414 -1.360 1.00 0.00 O ATOM 370 CB THR A 30 -12.509 9.460 1.033 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.594 9.990 1.806 1.00 0.00 O ATOM 372 CG2 THR A 30 -11.234 10.235 1.341 1.00 0.00 C ATOM 0 H THR A 30 -14.482 8.206 -0.442 1.00 0.00 H new ATOM 0 HA THR A 30 -12.726 10.557 -0.806 1.00 0.00 H new ATOM 0 HB THR A 30 -12.342 8.415 1.295 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.199 9.263 2.063 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.014 10.166 2.406 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.406 9.814 0.772 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.369 11.281 1.066 1.00 0.00 H new ATOM 380 N ALA A 31 -10.877 9.190 -1.812 1.00 0.00 N ATOM 381 CA ALA A 31 -9.913 8.426 -2.582 1.00 0.00 C ATOM 382 C ALA A 31 -8.826 7.873 -1.672 1.00 0.00 C ATOM 383 O ALA A 31 -8.166 8.620 -0.950 1.00 0.00 O ATOM 384 CB ALA A 31 -9.303 9.290 -3.678 1.00 0.00 C ATOM 0 H ALA A 31 -10.669 10.186 -1.746 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.430 7.589 -3.051 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.582 8.702 -4.246 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.090 9.642 -4.345 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.799 10.146 -3.229 1.00 0.00 H new ATOM 390 N TYR A 32 -8.655 6.564 -1.699 1.00 0.00 N ATOM 391 CA TYR A 32 -7.650 5.914 -0.877 1.00 0.00 C ATOM 392 C TYR A 32 -6.489 5.447 -1.741 1.00 0.00 C ATOM 393 O TYR A 32 -6.686 4.856 -2.807 1.00 0.00 O ATOM 394 CB TYR A 32 -8.259 4.732 -0.108 1.00 0.00 C ATOM 395 CG TYR A 32 -9.242 5.146 0.969 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.542 5.515 0.647 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.867 5.179 2.309 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.439 5.903 1.623 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.762 5.569 3.290 1.00 0.00 C ATOM 400 CZ TYR A 32 -11.044 5.929 2.940 1.00 0.00 C ATOM 401 OH TYR A 32 -11.933 6.321 3.912 1.00 0.00 O ATOM 0 H TYR A 32 -9.200 5.929 -2.282 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.277 6.636 -0.150 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.764 4.072 -0.814 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.455 4.155 0.349 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.857 5.498 -0.386 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.863 4.896 2.587 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.446 6.185 1.353 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.456 5.591 4.326 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.497 6.283 4.789 1.00 0.00 H new ATOM 411 N ASP A 33 -5.284 5.736 -1.288 1.00 0.00 N ATOM 412 CA ASP A 33 -4.082 5.353 -2.007 1.00 0.00 C ATOM 413 C ASP A 33 -3.491 4.103 -1.381 1.00 0.00 C ATOM 414 O ASP A 33 -2.961 4.142 -0.266 1.00 0.00 O ATOM 415 CB ASP A 33 -3.055 6.484 -1.986 1.00 0.00 C ATOM 416 CG ASP A 33 -2.171 6.472 -3.214 1.00 0.00 C ATOM 417 OD1 ASP A 33 -2.604 6.997 -4.261 1.00 0.00 O ATOM 418 OD2 ASP A 33 -1.045 5.943 -3.142 1.00 0.00 O ATOM 0 H ASP A 33 -5.110 6.239 -0.418 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.345 5.150 -3.045 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.572 7.441 -1.921 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.436 6.395 -1.093 1.00 0.00 H new ATOM 423 N VAL A 34 -3.609 2.990 -2.085 1.00 0.00 N ATOM 424 CA VAL A 34 -3.104 1.721 -1.591 1.00 0.00 C ATOM 425 C VAL A 34 -2.125 1.107 -2.579 1.00 0.00 C ATOM 426 O VAL A 34 -2.472 0.858 -3.736 1.00 0.00 O ATOM 427 CB VAL A 34 -4.250 0.716 -1.332 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.728 -0.541 -0.646 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.361 1.352 -0.508 1.00 0.00 C ATOM 0 H VAL A 34 -4.051 2.940 -3.003 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.595 1.927 -0.650 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.665 0.431 -2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.554 -1.232 -0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.981 -1.018 -1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.275 -0.273 0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.154 0.622 -0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.961 1.679 0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.765 2.211 -1.044 1.00 0.00 H new ATOM 439 N GLY A 35 -0.897 0.890 -2.133 1.00 0.00 N ATOM 440 CA GLY A 35 0.097 0.283 -2.983 1.00 0.00 C ATOM 441 C GLY A 35 1.094 -0.512 -2.180 1.00 0.00 C ATOM 442 O GLY A 35 1.099 -0.440 -0.951 1.00 0.00 O ATOM 0 H GLY A 35 -0.574 1.125 -1.195 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.391 -0.368 -3.708 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.617 1.057 -3.548 1.00 0.00 H new ATOM 446 N GLN A 36 1.916 -1.296 -2.853 1.00 0.00 N ATOM 447 CA GLN A 36 2.930 -2.072 -2.167 1.00 0.00 C ATOM 448 C GLN A 36 4.109 -1.155 -1.861 1.00 0.00 C ATOM 449 O GLN A 36 4.571 -0.412 -2.733 1.00 0.00 O ATOM 450 CB GLN A 36 3.354 -3.289 -3.002 1.00 0.00 C ATOM 451 CG GLN A 36 3.633 -2.967 -4.458 1.00 0.00 C ATOM 452 CD GLN A 36 5.099 -3.099 -4.800 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.546 -4.138 -5.271 1.00 0.00 O ATOM 454 NE2 GLN A 36 5.859 -2.056 -4.540 1.00 0.00 N ATOM 0 H GLN A 36 1.901 -1.411 -3.866 1.00 0.00 H new ATOM 0 HA GLN A 36 2.530 -2.466 -1.233 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.248 -3.728 -2.559 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.569 -4.044 -2.951 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.052 -3.634 -5.094 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.301 -1.951 -4.674 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.447 -1.210 -4.148 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.860 -2.094 -4.731 1.00 0.00 H new ATOM 463 N CYS A 37 4.570 -1.175 -0.621 1.00 0.00 N ATOM 464 CA CYS A 37 5.660 -0.306 -0.204 1.00 0.00 C ATOM 465 C CYS A 37 6.613 -1.043 0.720 1.00 0.00 C ATOM 466 O CYS A 37 6.418 -2.220 1.004 1.00 0.00 O ATOM 467 CB CYS A 37 5.086 0.920 0.515 1.00 0.00 C ATOM 468 SG CYS A 37 3.344 1.271 0.109 1.00 0.00 S ATOM 0 H CYS A 37 4.207 -1.782 0.114 1.00 0.00 H new ATOM 0 HA CYS A 37 6.214 0.010 -1.088 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.175 0.771 1.591 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.690 1.792 0.263 1.00 0.00 H new ATOM 473 N ALA A 38 7.650 -0.350 1.166 1.00 0.00 N ATOM 474 CA ALA A 38 8.629 -0.924 2.078 1.00 0.00 C ATOM 475 C ALA A 38 9.532 0.165 2.635 1.00 0.00 C ATOM 476 O ALA A 38 9.378 1.345 2.291 1.00 0.00 O ATOM 477 CB ALA A 38 9.459 -1.997 1.388 1.00 0.00 C ATOM 0 H ALA A 38 7.836 0.619 0.909 1.00 0.00 H new ATOM 0 HA ALA A 38 8.090 -1.392 2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.182 -2.408 2.093 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.804 -2.793 1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.987 -1.560 0.541 1.00 0.00 H new ATOM 483 N TRP A 39 10.464 -0.229 3.492 1.00 0.00 N ATOM 484 CA TRP A 39 11.394 0.708 4.102 1.00 0.00 C ATOM 485 C TRP A 39 12.486 1.104 3.115 1.00 0.00 C ATOM 486 O TRP A 39 13.432 0.351 2.881 1.00 0.00 O ATOM 487 CB TRP A 39 12.015 0.090 5.362 1.00 0.00 C ATOM 488 CG TRP A 39 11.690 0.839 6.619 1.00 0.00 C ATOM 489 CD1 TRP A 39 10.577 1.588 6.865 1.00 0.00 C ATOM 490 CD2 TRP A 39 12.485 0.901 7.806 1.00 0.00 C ATOM 491 NE1 TRP A 39 10.635 2.115 8.131 1.00 0.00 N ATOM 492 CE2 TRP A 39 11.795 1.710 8.728 1.00 0.00 C ATOM 493 CE3 TRP A 39 13.713 0.353 8.178 1.00 0.00 C ATOM 494 CZ2 TRP A 39 12.293 1.980 9.997 1.00 0.00 C ATOM 495 CZ3 TRP A 39 14.207 0.625 9.437 1.00 0.00 C ATOM 496 CH2 TRP A 39 13.498 1.433 10.335 1.00 0.00 C ATOM 0 H TRP A 39 10.595 -1.198 3.781 1.00 0.00 H new ATOM 0 HA TRP A 39 10.844 1.606 4.383 1.00 0.00 H new ATOM 0 HB2 TRP A 39 11.668 -0.938 5.461 1.00 0.00 H new ATOM 0 HB3 TRP A 39 13.098 0.051 5.242 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.769 1.744 6.166 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.927 2.712 8.557 1.00 0.00 H new ATOM 0 HE3 TRP A 39 14.266 -0.272 7.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 11.746 2.601 10.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 15.157 0.208 9.736 1.00 0.00 H new ATOM 0 HH2 TRP A 39 13.912 1.627 11.313 1.00 0.00 H new ATOM 507 N VAL A 40 12.346 2.286 2.531 1.00 0.00 N ATOM 508 CA VAL A 40 13.326 2.783 1.576 1.00 0.00 C ATOM 509 C VAL A 40 14.569 3.277 2.313 1.00 0.00 C ATOM 510 O VAL A 40 15.668 3.333 1.756 1.00 0.00 O ATOM 511 CB VAL A 40 12.737 3.915 0.697 1.00 0.00 C ATOM 512 CG1 VAL A 40 12.445 5.158 1.526 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.664 4.240 -0.469 1.00 0.00 C ATOM 0 H VAL A 40 11.564 2.918 2.702 1.00 0.00 H new ATOM 0 HA VAL A 40 13.602 1.960 0.916 1.00 0.00 H new ATOM 0 HB VAL A 40 11.792 3.560 0.285 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.033 5.936 0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.725 4.914 2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.368 5.516 1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.227 5.038 -1.070 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.632 4.563 -0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.797 3.352 -1.087 1.00 0.00 H new ATOM 523 N ASP A 41 14.384 3.609 3.582 1.00 0.00 N ATOM 524 CA ASP A 41 15.463 4.090 4.427 1.00 0.00 C ATOM 525 C ASP A 41 15.117 3.801 5.879 1.00 0.00 C ATOM 526 O ASP A 41 13.980 3.436 6.180 1.00 0.00 O ATOM 527 CB ASP A 41 15.675 5.593 4.208 1.00 0.00 C ATOM 528 CG ASP A 41 16.878 6.140 4.948 1.00 0.00 C ATOM 529 OD1 ASP A 41 17.885 5.417 5.090 1.00 0.00 O ATOM 530 OD2 ASP A 41 16.825 7.304 5.390 1.00 0.00 O ATOM 0 H ASP A 41 13.481 3.552 4.053 1.00 0.00 H new ATOM 0 HA ASP A 41 16.391 3.579 4.170 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.794 5.785 3.142 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.783 6.130 4.531 1.00 0.00 H new ATOM 535 N THR A 42 16.083 3.946 6.768 1.00 0.00 N ATOM 536 CA THR A 42 15.864 3.699 8.182 1.00 0.00 C ATOM 537 C THR A 42 14.971 4.781 8.793 1.00 0.00 C ATOM 538 O THR A 42 15.451 5.741 9.397 1.00 0.00 O ATOM 539 CB THR A 42 17.200 3.631 8.944 1.00 0.00 C ATOM 540 OG1 THR A 42 18.217 3.087 8.088 1.00 0.00 O ATOM 541 CG2 THR A 42 17.063 2.771 10.193 1.00 0.00 C ATOM 0 H THR A 42 17.033 4.235 6.534 1.00 0.00 H new ATOM 0 HA THR A 42 15.361 2.736 8.274 1.00 0.00 H new ATOM 0 HB THR A 42 17.480 4.640 9.248 1.00 0.00 H new ATOM 0 HG1 THR A 42 19.067 3.046 8.575 1.00 0.00 H new ATOM 0 HG21 THR A 42 18.018 2.736 10.717 1.00 0.00 H new ATOM 0 HG22 THR A 42 16.305 3.200 10.849 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.768 1.761 9.909 1.00 0.00 H new ATOM 549 N GLY A 43 13.672 4.623 8.604 1.00 0.00 N ATOM 550 CA GLY A 43 12.719 5.575 9.122 1.00 0.00 C ATOM 551 C GLY A 43 11.794 6.077 8.037 1.00 0.00 C ATOM 552 O GLY A 43 10.672 6.503 8.312 1.00 0.00 O ATOM 0 H GLY A 43 13.258 3.842 8.095 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.133 5.111 9.915 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.249 6.416 9.568 1.00 0.00 H new ATOM 556 N VAL A 44 12.261 6.006 6.796 1.00 0.00 N ATOM 557 CA VAL A 44 11.479 6.466 5.654 1.00 0.00 C ATOM 558 C VAL A 44 10.913 5.286 4.872 1.00 0.00 C ATOM 559 O VAL A 44 11.611 4.305 4.605 1.00 0.00 O ATOM 560 CB VAL A 44 12.325 7.340 4.698 1.00 0.00 C ATOM 561 CG1 VAL A 44 11.433 8.231 3.846 1.00 0.00 C ATOM 562 CG2 VAL A 44 13.332 8.174 5.476 1.00 0.00 C ATOM 0 H VAL A 44 13.179 5.633 6.554 1.00 0.00 H new ATOM 0 HA VAL A 44 10.662 7.068 6.053 1.00 0.00 H new ATOM 0 HB VAL A 44 12.876 6.675 4.033 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.051 8.836 3.182 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.761 7.612 3.252 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.848 8.885 4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.915 8.780 4.783 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.804 8.826 6.172 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.999 7.514 6.031 1.00 0.00 H new ATOM 572 N LEU A 45 9.650 5.388 4.504 1.00 0.00 N ATOM 573 CA LEU A 45 8.983 4.342 3.751 1.00 0.00 C ATOM 574 C LEU A 45 8.572 4.889 2.392 1.00 0.00 C ATOM 575 O LEU A 45 8.378 6.095 2.245 1.00 0.00 O ATOM 576 CB LEU A 45 7.752 3.828 4.504 1.00 0.00 C ATOM 577 CG LEU A 45 7.901 3.710 6.024 1.00 0.00 C ATOM 578 CD1 LEU A 45 7.414 4.978 6.711 1.00 0.00 C ATOM 579 CD2 LEU A 45 7.140 2.499 6.542 1.00 0.00 C ATOM 0 H LEU A 45 9.060 6.193 4.717 1.00 0.00 H new ATOM 0 HA LEU A 45 9.671 3.507 3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.915 4.493 4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.490 2.848 4.106 1.00 0.00 H new ATOM 0 HG LEU A 45 8.958 3.579 6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.528 4.874 7.790 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.001 5.828 6.364 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.363 5.141 6.471 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.257 2.431 7.624 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.083 2.602 6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.534 1.595 6.077 1.00 0.00 H new ATOM 591 N ALA A 46 8.438 4.016 1.404 1.00 0.00 N ATOM 592 CA ALA A 46 8.063 4.452 0.067 1.00 0.00 C ATOM 593 C ALA A 46 7.300 3.364 -0.680 1.00 0.00 C ATOM 594 O ALA A 46 7.614 2.179 -0.549 1.00 0.00 O ATOM 595 CB ALA A 46 9.305 4.863 -0.708 1.00 0.00 C ATOM 0 H ALA A 46 8.582 3.011 1.501 1.00 0.00 H new ATOM 0 HA ALA A 46 7.399 5.311 0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.019 5.188 -1.708 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.804 5.682 -0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.984 4.014 -0.783 1.00 0.00 H new ATOM 601 N CYS A 47 6.304 3.777 -1.457 1.00 0.00 N ATOM 602 CA CYS A 47 5.487 2.847 -2.235 1.00 0.00 C ATOM 603 C CYS A 47 5.920 2.852 -3.695 1.00 0.00 C ATOM 604 O CYS A 47 6.840 3.574 -4.072 1.00 0.00 O ATOM 605 CB CYS A 47 4.002 3.214 -2.147 1.00 0.00 C ATOM 606 SG CYS A 47 3.315 3.219 -0.463 1.00 0.00 S ATOM 0 H CYS A 47 6.040 4.756 -1.566 1.00 0.00 H new ATOM 0 HA CYS A 47 5.630 1.851 -1.817 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.860 4.202 -2.585 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.432 2.511 -2.755 1.00 0.00 H new ATOM 611 N ASN A 48 5.249 2.054 -4.515 1.00 0.00 N ATOM 612 CA ASN A 48 5.571 1.981 -5.933 1.00 0.00 C ATOM 613 C ASN A 48 4.559 2.771 -6.758 1.00 0.00 C ATOM 614 O ASN A 48 3.355 2.574 -6.619 1.00 0.00 O ATOM 615 CB ASN A 48 5.588 0.528 -6.403 1.00 0.00 C ATOM 616 CG ASN A 48 6.235 0.375 -7.764 1.00 0.00 C ATOM 617 OD1 ASN A 48 5.709 -0.303 -8.643 1.00 0.00 O ATOM 618 ND2 ASN A 48 7.390 0.995 -7.943 1.00 0.00 N ATOM 0 H ASN A 48 4.481 1.450 -4.223 1.00 0.00 H new ATOM 0 HA ASN A 48 6.560 2.416 -6.075 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.126 -0.081 -5.676 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.567 0.149 -6.443 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.876 0.919 -8.836 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.794 1.549 -7.188 1.00 0.00 H new ATOM 625 N PRO A 49 5.036 3.687 -7.615 1.00 0.00 N ATOM 626 CA PRO A 49 4.168 4.503 -8.468 1.00 0.00 C ATOM 627 C PRO A 49 3.712 3.751 -9.716 1.00 0.00 C ATOM 628 O PRO A 49 2.922 4.263 -10.509 1.00 0.00 O ATOM 629 CB PRO A 49 5.074 5.670 -8.851 1.00 0.00 C ATOM 630 CG PRO A 49 6.436 5.077 -8.887 1.00 0.00 C ATOM 631 CD PRO A 49 6.461 4.028 -7.806 1.00 0.00 C ATOM 0 HA PRO A 49 3.248 4.798 -7.964 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.796 6.089 -9.818 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.011 6.479 -8.123 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.644 4.637 -9.862 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.197 5.837 -8.711 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.044 3.157 -8.106 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.908 4.410 -6.888 1.00 0.00 H new ATOM 639 N ALA A 50 4.233 2.546 -9.897 1.00 0.00 N ATOM 640 CA ALA A 50 3.870 1.724 -11.037 1.00 0.00 C ATOM 641 C ALA A 50 2.773 0.745 -10.647 1.00 0.00 C ATOM 642 O ALA A 50 1.634 0.852 -11.110 1.00 0.00 O ATOM 643 CB ALA A 50 5.089 0.984 -11.570 1.00 0.00 C ATOM 0 H ALA A 50 4.910 2.117 -9.266 1.00 0.00 H new ATOM 0 HA ALA A 50 3.492 2.370 -11.830 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.799 0.373 -12.424 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.845 1.705 -11.880 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.497 0.344 -10.788 1.00 0.00 H new ATOM 649 N ASP A 51 3.113 -0.188 -9.774 1.00 0.00 N ATOM 650 CA ASP A 51 2.156 -1.181 -9.316 1.00 0.00 C ATOM 651 C ASP A 51 1.366 -0.657 -8.125 1.00 0.00 C ATOM 652 O ASP A 51 1.590 -1.059 -6.981 1.00 0.00 O ATOM 653 CB ASP A 51 2.856 -2.491 -8.951 1.00 0.00 C ATOM 654 CG ASP A 51 2.393 -3.642 -9.819 1.00 0.00 C ATOM 655 OD1 ASP A 51 1.178 -3.939 -9.831 1.00 0.00 O ATOM 656 OD2 ASP A 51 3.236 -4.249 -10.510 1.00 0.00 O ATOM 0 H ASP A 51 4.044 -0.279 -9.368 1.00 0.00 H new ATOM 0 HA ASP A 51 1.464 -1.379 -10.134 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.934 -2.368 -9.057 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.663 -2.726 -7.904 1.00 0.00 H new ATOM 661 N PHE A 52 0.465 0.270 -8.401 1.00 0.00 N ATOM 662 CA PHE A 52 -0.378 0.857 -7.373 1.00 0.00 C ATOM 663 C PHE A 52 -1.827 0.834 -7.839 1.00 0.00 C ATOM 664 O PHE A 52 -2.095 0.681 -9.032 1.00 0.00 O ATOM 665 CB PHE A 52 0.068 2.294 -7.054 1.00 0.00 C ATOM 666 CG PHE A 52 -0.476 3.338 -7.993 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.137 3.587 -9.210 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.604 4.072 -7.652 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.365 4.546 -10.070 1.00 0.00 C ATOM 670 CE2 PHE A 52 -2.108 5.030 -8.509 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.488 5.267 -9.720 1.00 0.00 C ATOM 0 H PHE A 52 0.297 0.636 -9.338 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.285 0.272 -6.458 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.241 2.540 -6.038 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.157 2.336 -7.075 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.016 3.026 -9.490 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.093 3.892 -6.706 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.122 4.731 -11.016 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.987 5.594 -8.232 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.882 6.015 -10.392 1.00 0.00 H new ATOM 681 N SER A 53 -2.759 0.969 -6.915 1.00 0.00 N ATOM 682 CA SER A 53 -4.164 0.963 -7.273 1.00 0.00 C ATOM 683 C SER A 53 -4.943 1.996 -6.471 1.00 0.00 C ATOM 684 O SER A 53 -5.170 1.836 -5.271 1.00 0.00 O ATOM 685 CB SER A 53 -4.756 -0.431 -7.075 1.00 0.00 C ATOM 686 OG SER A 53 -4.201 -1.351 -8.001 1.00 0.00 O ATOM 0 H SER A 53 -2.571 1.083 -5.919 1.00 0.00 H new ATOM 0 HA SER A 53 -4.245 1.231 -8.326 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.563 -0.771 -6.058 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.838 -0.392 -7.199 1.00 0.00 H new ATOM 0 HG SER A 53 -4.231 -2.254 -7.622 1.00 0.00 H new ATOM 692 N SER A 54 -5.324 3.070 -7.144 1.00 0.00 N ATOM 693 CA SER A 54 -6.100 4.125 -6.523 1.00 0.00 C ATOM 694 C SER A 54 -7.556 3.684 -6.423 1.00 0.00 C ATOM 695 O SER A 54 -8.229 3.501 -7.439 1.00 0.00 O ATOM 696 CB SER A 54 -5.976 5.402 -7.356 1.00 0.00 C ATOM 697 OG SER A 54 -5.563 5.097 -8.680 1.00 0.00 O ATOM 0 H SER A 54 -5.105 3.232 -8.127 1.00 0.00 H new ATOM 0 HA SER A 54 -5.726 4.327 -5.519 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.934 5.922 -7.379 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.257 6.077 -6.892 1.00 0.00 H new ATOM 0 HG SER A 54 -5.490 5.925 -9.199 1.00 0.00 H new ATOM 703 N VAL A 55 -8.031 3.478 -5.207 1.00 0.00 N ATOM 704 CA VAL A 55 -9.402 3.040 -5.001 1.00 0.00 C ATOM 705 C VAL A 55 -10.193 4.077 -4.209 1.00 0.00 C ATOM 706 O VAL A 55 -9.746 4.564 -3.172 1.00 0.00 O ATOM 707 CB VAL A 55 -9.459 1.665 -4.290 1.00 0.00 C ATOM 708 CG1 VAL A 55 -8.702 1.694 -2.969 1.00 0.00 C ATOM 709 CG2 VAL A 55 -10.901 1.230 -4.075 1.00 0.00 C ATOM 0 H VAL A 55 -7.492 3.606 -4.351 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.858 2.930 -5.985 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.972 0.935 -4.937 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.761 0.714 -2.494 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.658 1.946 -3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.145 2.443 -2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.918 0.262 -3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.415 1.967 -3.458 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.404 1.149 -5.039 1.00 0.00 H new ATOM 719 N THR A 56 -11.357 4.433 -4.719 1.00 0.00 N ATOM 720 CA THR A 56 -12.206 5.396 -4.051 1.00 0.00 C ATOM 721 C THR A 56 -13.329 4.671 -3.316 1.00 0.00 C ATOM 722 O THR A 56 -13.808 3.629 -3.771 1.00 0.00 O ATOM 723 CB THR A 56 -12.786 6.430 -5.048 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.526 7.437 -4.346 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.684 5.761 -6.079 1.00 0.00 C ATOM 0 H THR A 56 -11.735 4.069 -5.594 1.00 0.00 H new ATOM 0 HA THR A 56 -11.600 5.944 -3.330 1.00 0.00 H new ATOM 0 HB THR A 56 -11.948 6.893 -5.570 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.205 7.494 -3.422 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.075 6.513 -6.764 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.108 5.024 -6.640 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.512 5.265 -5.573 1.00 0.00 H new ATOM 733 N ALA A 57 -13.720 5.196 -2.166 1.00 0.00 N ATOM 734 CA ALA A 57 -14.785 4.590 -1.382 1.00 0.00 C ATOM 735 C ALA A 57 -16.129 4.805 -2.065 1.00 0.00 C ATOM 736 O ALA A 57 -16.459 5.927 -2.459 1.00 0.00 O ATOM 737 CB ALA A 57 -14.803 5.168 0.024 1.00 0.00 C ATOM 0 H ALA A 57 -13.317 6.038 -1.755 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.600 3.518 -1.310 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.605 4.704 0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.848 4.971 0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.969 6.244 -0.027 1.00 0.00 H new ATOM 743 N ASP A 58 -16.895 3.731 -2.207 1.00 0.00 N ATOM 744 CA ASP A 58 -18.201 3.796 -2.854 1.00 0.00 C ATOM 745 C ASP A 58 -19.251 4.334 -1.884 1.00 0.00 C ATOM 746 O ASP A 58 -18.921 4.723 -0.766 1.00 0.00 O ATOM 747 CB ASP A 58 -18.608 2.413 -3.379 1.00 0.00 C ATOM 748 CG ASP A 58 -19.099 1.477 -2.291 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.302 1.113 -1.403 1.00 0.00 O ATOM 750 OD2 ASP A 58 -20.283 1.085 -2.330 1.00 0.00 O ATOM 0 H ASP A 58 -16.634 2.800 -1.882 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.135 4.479 -3.701 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.392 2.533 -4.127 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.755 1.958 -3.882 1.00 0.00 H new ATOM 755 N ALA A 59 -20.507 4.343 -2.310 1.00 0.00 N ATOM 756 CA ALA A 59 -21.607 4.842 -1.486 1.00 0.00 C ATOM 757 C ALA A 59 -21.711 4.085 -0.162 1.00 0.00 C ATOM 758 O ALA A 59 -22.111 4.650 0.858 1.00 0.00 O ATOM 759 CB ALA A 59 -22.916 4.746 -2.249 1.00 0.00 C ATOM 0 H ALA A 59 -20.794 4.008 -3.230 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.400 5.887 -1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.728 5.120 -1.626 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.852 5.343 -3.159 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.109 3.706 -2.511 1.00 0.00 H new ATOM 765 N ASN A 60 -21.349 2.809 -0.177 1.00 0.00 N ATOM 766 CA ASN A 60 -21.402 1.995 1.030 1.00 0.00 C ATOM 767 C ASN A 60 -20.232 2.318 1.951 1.00 0.00 C ATOM 768 O ASN A 60 -20.193 1.881 3.103 1.00 0.00 O ATOM 769 CB ASN A 60 -21.390 0.512 0.679 1.00 0.00 C ATOM 770 CG ASN A 60 -22.667 0.065 0.001 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.741 0.076 0.600 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.564 -0.316 -1.260 1.00 0.00 N ATOM 0 H ASN A 60 -21.017 2.317 -1.007 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.332 2.227 1.550 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.543 0.304 0.025 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.242 -0.072 1.588 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.394 -0.615 -1.772 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.654 -0.311 -1.722 1.00 0.00 H new ATOM 779 N GLY A 61 -19.282 3.093 1.440 1.00 0.00 N ATOM 780 CA GLY A 61 -18.120 3.466 2.224 1.00 0.00 C ATOM 781 C GLY A 61 -17.089 2.361 2.275 1.00 0.00 C ATOM 782 O GLY A 61 -16.340 2.242 3.245 1.00 0.00 O ATOM 0 H GLY A 61 -19.297 3.471 0.493 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.669 4.363 1.799 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.433 3.717 3.238 1.00 0.00 H new ATOM 786 N SER A 62 -17.052 1.548 1.233 1.00 0.00 N ATOM 787 CA SER A 62 -16.112 0.444 1.165 1.00 0.00 C ATOM 788 C SER A 62 -15.076 0.685 0.077 1.00 0.00 C ATOM 789 O SER A 62 -15.388 1.221 -0.991 1.00 0.00 O ATOM 790 CB SER A 62 -16.869 -0.862 0.909 1.00 0.00 C ATOM 791 OG SER A 62 -18.251 -0.607 0.699 1.00 0.00 O ATOM 0 H SER A 62 -17.664 1.633 0.421 1.00 0.00 H new ATOM 0 HA SER A 62 -15.587 0.369 2.117 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.450 -1.366 0.038 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.743 -1.534 1.758 1.00 0.00 H new ATOM 0 HG SER A 62 -18.368 -0.104 -0.134 1.00 0.00 H new ATOM 797 N ALA A 63 -13.840 0.318 0.364 1.00 0.00 N ATOM 798 CA ALA A 63 -12.753 0.476 -0.584 1.00 0.00 C ATOM 799 C ALA A 63 -11.976 -0.823 -0.718 1.00 0.00 C ATOM 800 O ALA A 63 -11.174 -1.167 0.150 1.00 0.00 O ATOM 801 CB ALA A 63 -11.830 1.609 -0.158 1.00 0.00 C ATOM 0 H ALA A 63 -13.563 -0.095 1.255 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.177 0.728 -1.556 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.021 1.711 -0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.395 2.540 -0.111 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.412 1.388 0.824 1.00 0.00 H new ATOM 807 N SER A 64 -12.233 -1.552 -1.788 1.00 0.00 N ATOM 808 CA SER A 64 -11.550 -2.808 -2.023 1.00 0.00 C ATOM 809 C SER A 64 -10.711 -2.724 -3.291 1.00 0.00 C ATOM 810 O SER A 64 -11.133 -2.130 -4.283 1.00 0.00 O ATOM 811 CB SER A 64 -12.551 -3.957 -2.127 1.00 0.00 C ATOM 812 OG SER A 64 -12.012 -5.148 -1.581 1.00 0.00 O ATOM 0 H SER A 64 -12.909 -1.295 -2.507 1.00 0.00 H new ATOM 0 HA SER A 64 -10.891 -3.002 -1.177 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.469 -3.694 -1.601 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.818 -4.119 -3.171 1.00 0.00 H new ATOM 0 HG SER A 64 -11.111 -4.972 -1.238 1.00 0.00 H new ATOM 818 N THR A 65 -9.527 -3.311 -3.251 1.00 0.00 N ATOM 819 CA THR A 65 -8.639 -3.296 -4.394 1.00 0.00 C ATOM 820 C THR A 65 -7.660 -4.472 -4.336 1.00 0.00 C ATOM 821 O THR A 65 -7.709 -5.289 -3.410 1.00 0.00 O ATOM 822 CB THR A 65 -7.875 -1.956 -4.479 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.232 -1.826 -5.752 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.847 -1.834 -3.365 1.00 0.00 C ATOM 0 H THR A 65 -9.161 -3.804 -2.437 1.00 0.00 H new ATOM 0 HA THR A 65 -9.245 -3.400 -5.294 1.00 0.00 H new ATOM 0 HB THR A 65 -8.602 -1.153 -4.362 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.682 -1.131 -6.276 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.327 -0.880 -3.453 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.349 -1.886 -2.399 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.127 -2.649 -3.443 1.00 0.00 H new ATOM 832 N SER A 66 -6.785 -4.554 -5.326 1.00 0.00 N ATOM 833 CA SER A 66 -5.806 -5.626 -5.409 1.00 0.00 C ATOM 834 C SER A 66 -4.446 -5.071 -5.833 1.00 0.00 C ATOM 835 O SER A 66 -4.362 -4.279 -6.773 1.00 0.00 O ATOM 836 CB SER A 66 -6.289 -6.681 -6.399 1.00 0.00 C ATOM 837 OG SER A 66 -7.636 -7.042 -6.128 1.00 0.00 O ATOM 0 H SER A 66 -6.733 -3.882 -6.092 1.00 0.00 H new ATOM 0 HA SER A 66 -5.693 -6.087 -4.428 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.207 -6.297 -7.416 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.651 -7.563 -6.339 1.00 0.00 H new ATOM 0 HG SER A 66 -7.930 -7.718 -6.774 1.00 0.00 H new ATOM 843 N LEU A 67 -3.390 -5.480 -5.135 1.00 0.00 N ATOM 844 CA LEU A 67 -2.041 -5.002 -5.432 1.00 0.00 C ATOM 845 C LEU A 67 -1.093 -6.152 -5.739 1.00 0.00 C ATOM 846 O LEU A 67 -1.115 -7.180 -5.066 1.00 0.00 O ATOM 847 CB LEU A 67 -1.491 -4.206 -4.244 1.00 0.00 C ATOM 848 CG LEU A 67 -1.825 -2.712 -4.223 1.00 0.00 C ATOM 849 CD1 LEU A 67 -1.497 -2.069 -5.558 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.282 -2.486 -3.860 1.00 0.00 C ATOM 0 H LEU A 67 -3.441 -6.141 -4.360 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.108 -4.363 -6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.869 -4.655 -3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.407 -4.316 -4.230 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.210 -2.240 -3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.742 -1.008 -5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.434 -2.189 -5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.079 -2.548 -6.345 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.493 -1.417 -3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.920 -2.977 -4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.480 -2.902 -2.872 1.00 0.00 H new ATOM 862 N THR A 68 -0.262 -5.974 -6.753 1.00 0.00 N ATOM 863 CA THR A 68 0.713 -6.985 -7.130 1.00 0.00 C ATOM 864 C THR A 68 2.052 -6.670 -6.475 1.00 0.00 C ATOM 865 O THR A 68 2.699 -5.682 -6.819 1.00 0.00 O ATOM 866 CB THR A 68 0.894 -7.043 -8.656 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.059 -6.181 -9.290 1.00 0.00 O ATOM 868 CG2 THR A 68 0.727 -8.464 -9.169 1.00 0.00 C ATOM 0 H THR A 68 -0.243 -5.135 -7.332 1.00 0.00 H new ATOM 0 HA THR A 68 0.347 -7.954 -6.790 1.00 0.00 H new ATOM 0 HB THR A 68 1.903 -6.709 -8.896 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.408 -5.426 -9.705 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.860 -8.478 -10.251 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.472 -9.109 -8.703 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.271 -8.825 -8.921 1.00 0.00 H new ATOM 876 N VAL A 69 2.452 -7.491 -5.518 1.00 0.00 N ATOM 877 CA VAL A 69 3.705 -7.272 -4.813 1.00 0.00 C ATOM 878 C VAL A 69 4.907 -7.683 -5.668 1.00 0.00 C ATOM 879 O VAL A 69 4.947 -8.772 -6.243 1.00 0.00 O ATOM 880 CB VAL A 69 3.729 -8.014 -3.453 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.715 -9.525 -3.633 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.927 -7.578 -2.626 1.00 0.00 C ATOM 0 H VAL A 69 1.930 -8.312 -5.212 1.00 0.00 H new ATOM 0 HA VAL A 69 3.778 -6.202 -4.616 1.00 0.00 H new ATOM 0 HB VAL A 69 2.820 -7.744 -2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.733 -10.008 -2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.812 -9.819 -4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.591 -9.831 -4.205 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.926 -8.110 -1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.845 -7.805 -3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.871 -6.505 -2.441 1.00 0.00 H new ATOM 892 N ARG A 70 5.867 -6.780 -5.777 1.00 0.00 N ATOM 893 CA ARG A 70 7.076 -7.025 -6.547 1.00 0.00 C ATOM 894 C ARG A 70 8.251 -7.269 -5.607 1.00 0.00 C ATOM 895 O ARG A 70 8.071 -7.364 -4.393 1.00 0.00 O ATOM 896 CB ARG A 70 7.368 -5.831 -7.465 1.00 0.00 C ATOM 897 CG ARG A 70 6.230 -5.502 -8.419 1.00 0.00 C ATOM 898 CD ARG A 70 5.879 -6.691 -9.301 1.00 0.00 C ATOM 899 NE ARG A 70 4.768 -6.400 -10.203 1.00 0.00 N ATOM 900 CZ ARG A 70 4.369 -7.213 -11.177 1.00 0.00 C ATOM 901 NH1 ARG A 70 5.024 -8.344 -11.412 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.326 -6.877 -11.919 1.00 0.00 N ATOM 0 H ARG A 70 5.831 -5.861 -5.337 1.00 0.00 H new ATOM 0 HA ARG A 70 6.930 -7.911 -7.164 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.581 -4.956 -6.851 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.267 -6.041 -8.044 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.352 -5.199 -7.849 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.512 -4.655 -9.044 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.753 -6.978 -9.885 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.621 -7.544 -8.673 1.00 0.00 H new ATOM 0 HE ARG A 70 4.268 -5.520 -10.078 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.835 -8.591 -10.845 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.716 -8.966 -12.160 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.835 -6.001 -11.742 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.013 -7.494 -12.668 1.00 0.00 H new ATOM 916 N ARG A 71 9.450 -7.374 -6.164 1.00 0.00 N ATOM 917 CA ARG A 71 10.644 -7.597 -5.362 1.00 0.00 C ATOM 918 C ARG A 71 11.517 -6.350 -5.368 1.00 0.00 C ATOM 919 O ARG A 71 12.048 -5.946 -4.338 1.00 0.00 O ATOM 920 CB ARG A 71 11.434 -8.793 -5.892 1.00 0.00 C ATOM 921 CG ARG A 71 12.280 -9.480 -4.835 1.00 0.00 C ATOM 922 CD ARG A 71 11.446 -10.394 -3.952 1.00 0.00 C ATOM 923 NE ARG A 71 10.988 -11.579 -4.677 1.00 0.00 N ATOM 924 CZ ARG A 71 10.898 -12.799 -4.142 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.223 -13.004 -2.870 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.463 -13.809 -4.883 1.00 0.00 N ATOM 0 H ARG A 71 9.621 -7.308 -7.167 1.00 0.00 H new ATOM 0 HA ARG A 71 10.337 -7.812 -4.338 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.739 -9.518 -6.316 1.00 0.00 H new ATOM 0 HB3 ARG A 71 12.081 -8.459 -6.703 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.066 -10.060 -5.319 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.772 -8.728 -4.218 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.035 -10.702 -3.088 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.585 -9.845 -3.571 1.00 0.00 H new ATOM 0 HE ARG A 71 10.720 -11.466 -5.655 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.544 -12.226 -2.294 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.151 -13.939 -2.470 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.200 -13.651 -5.856 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.392 -14.743 -4.480 1.00 0.00 H new ATOM 940 N SER A 72 11.657 -5.749 -6.535 1.00 0.00 N ATOM 941 CA SER A 72 12.447 -4.540 -6.694 1.00 0.00 C ATOM 942 C SER A 72 11.596 -3.487 -7.387 1.00 0.00 C ATOM 943 O SER A 72 11.064 -3.728 -8.473 1.00 0.00 O ATOM 944 CB SER A 72 13.710 -4.841 -7.505 1.00 0.00 C ATOM 945 OG SER A 72 14.281 -6.082 -7.111 1.00 0.00 O ATOM 0 H SER A 72 11.228 -6.083 -7.398 1.00 0.00 H new ATOM 0 HA SER A 72 12.757 -4.165 -5.718 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.467 -4.869 -8.567 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.437 -4.041 -7.365 1.00 0.00 H new ATOM 0 HG SER A 72 14.622 -6.009 -6.195 1.00 0.00 H new ATOM 951 N PHE A 73 11.447 -2.331 -6.759 1.00 0.00 N ATOM 952 CA PHE A 73 10.616 -1.279 -7.319 1.00 0.00 C ATOM 953 C PHE A 73 11.097 0.103 -6.905 1.00 0.00 C ATOM 954 O PHE A 73 11.886 0.247 -5.972 1.00 0.00 O ATOM 955 CB PHE A 73 9.165 -1.475 -6.866 1.00 0.00 C ATOM 956 CG PHE A 73 8.997 -1.566 -5.371 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.101 -2.786 -4.720 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.735 -0.433 -4.618 1.00 0.00 C ATOM 959 CE1 PHE A 73 8.945 -2.874 -3.349 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.577 -0.513 -3.247 1.00 0.00 C ATOM 961 CZ PHE A 73 8.682 -1.733 -2.612 1.00 0.00 C ATOM 0 H PHE A 73 11.887 -2.099 -5.868 1.00 0.00 H new ATOM 0 HA PHE A 73 10.683 -1.344 -8.405 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.563 -0.646 -7.239 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.773 -2.384 -7.322 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.307 -3.679 -5.291 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.653 0.526 -5.109 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.028 -3.831 -2.855 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.372 0.379 -2.674 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.559 -1.797 -1.541 1.00 0.00 H new ATOM 971 N GLU A 74 10.619 1.115 -7.615 1.00 0.00 N ATOM 972 CA GLU A 74 10.967 2.496 -7.319 1.00 0.00 C ATOM 973 C GLU A 74 10.237 2.946 -6.061 1.00 0.00 C ATOM 974 O GLU A 74 9.055 2.635 -5.880 1.00 0.00 O ATOM 975 CB GLU A 74 10.603 3.428 -8.480 1.00 0.00 C ATOM 976 CG GLU A 74 10.635 2.763 -9.844 1.00 0.00 C ATOM 977 CD GLU A 74 9.305 2.138 -10.221 1.00 0.00 C ATOM 978 OE1 GLU A 74 8.431 2.860 -10.739 1.00 0.00 O ATOM 979 OE2 GLU A 74 9.132 0.919 -9.994 1.00 0.00 O ATOM 0 H GLU A 74 9.984 1.003 -8.406 1.00 0.00 H new ATOM 0 HA GLU A 74 12.045 2.548 -7.167 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.605 3.832 -8.308 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.292 4.272 -8.483 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.912 3.501 -10.597 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.408 1.995 -9.851 1.00 0.00 H new ATOM 986 N GLY A 75 10.933 3.676 -5.206 1.00 0.00 N ATOM 987 CA GLY A 75 10.334 4.148 -3.977 1.00 0.00 C ATOM 988 C GLY A 75 9.821 5.565 -4.091 1.00 0.00 C ATOM 989 O GLY A 75 10.598 6.498 -4.317 1.00 0.00 O ATOM 0 H GLY A 75 11.906 3.951 -5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.512 3.488 -3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.069 4.095 -3.174 1.00 0.00 H new ATOM 993 N PHE A 76 8.515 5.730 -3.917 1.00 0.00 N ATOM 994 CA PHE A 76 7.887 7.038 -4.012 1.00 0.00 C ATOM 995 C PHE A 76 7.068 7.313 -2.765 1.00 0.00 C ATOM 996 O PHE A 76 6.401 6.419 -2.245 1.00 0.00 O ATOM 997 CB PHE A 76 6.980 7.117 -5.246 1.00 0.00 C ATOM 998 CG PHE A 76 7.691 7.485 -6.523 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.726 6.702 -7.014 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.317 8.613 -7.236 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.371 7.037 -8.191 1.00 0.00 C ATOM 1002 CE2 PHE A 76 7.957 8.954 -8.413 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.984 8.166 -8.891 1.00 0.00 C ATOM 0 H PHE A 76 7.869 4.969 -3.708 1.00 0.00 H new ATOM 0 HA PHE A 76 8.673 7.787 -4.105 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.490 6.153 -5.383 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.195 7.850 -5.058 1.00 0.00 H new ATOM 0 HD1 PHE A 76 9.032 5.820 -6.471 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.514 9.234 -6.867 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.175 6.419 -8.563 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.654 9.836 -8.958 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.485 8.430 -9.810 1.00 0.00 H new ATOM 1013 N LEU A 77 7.134 8.538 -2.279 1.00 0.00 N ATOM 1014 CA LEU A 77 6.381 8.927 -1.102 1.00 0.00 C ATOM 1015 C LEU A 77 4.911 9.101 -1.475 1.00 0.00 C ATOM 1016 O LEU A 77 4.569 9.152 -2.662 1.00 0.00 O ATOM 1017 CB LEU A 77 6.939 10.224 -0.508 1.00 0.00 C ATOM 1018 CG LEU A 77 8.442 10.220 -0.202 1.00 0.00 C ATOM 1019 CD1 LEU A 77 8.847 11.519 0.467 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.817 9.039 0.677 1.00 0.00 C ATOM 0 H LEU A 77 7.703 9.282 -2.682 1.00 0.00 H new ATOM 0 HA LEU A 77 6.471 8.145 -0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.730 11.039 -1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.399 10.442 0.414 1.00 0.00 H new ATOM 0 HG LEU A 77 8.978 10.126 -1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.916 11.502 0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.621 12.355 -0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.295 11.636 1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.888 9.061 0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.270 9.097 1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.563 8.110 0.166 1.00 0.00 H new ATOM 1032 N PHE A 78 4.049 9.213 -0.472 1.00 0.00 N ATOM 1033 CA PHE A 78 2.617 9.371 -0.714 1.00 0.00 C ATOM 1034 C PHE A 78 2.320 10.700 -1.400 1.00 0.00 C ATOM 1035 O PHE A 78 1.295 10.848 -2.064 1.00 0.00 O ATOM 1036 CB PHE A 78 1.827 9.263 0.592 1.00 0.00 C ATOM 1037 CG PHE A 78 1.386 7.862 0.917 1.00 0.00 C ATOM 1038 CD1 PHE A 78 0.674 7.110 -0.009 1.00 0.00 C ATOM 1039 CD2 PHE A 78 1.674 7.299 2.146 1.00 0.00 C ATOM 1040 CE1 PHE A 78 0.264 5.825 0.288 1.00 0.00 C ATOM 1041 CE2 PHE A 78 1.267 6.014 2.449 1.00 0.00 C ATOM 1042 CZ PHE A 78 0.560 5.275 1.518 1.00 0.00 C ATOM 0 H PHE A 78 4.313 9.198 0.513 1.00 0.00 H new ATOM 0 HA PHE A 78 2.304 8.564 -1.377 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.441 9.640 1.410 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.949 9.906 0.530 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.438 7.536 -0.973 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.224 7.871 2.879 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.288 5.251 -0.442 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.501 5.587 3.413 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.241 4.270 1.753 1.00 0.00 H new ATOM 1052 N ASP A 79 3.218 11.668 -1.237 1.00 0.00 N ATOM 1053 CA ASP A 79 3.042 12.979 -1.858 1.00 0.00 C ATOM 1054 C ASP A 79 3.505 12.958 -3.315 1.00 0.00 C ATOM 1055 O ASP A 79 3.110 13.808 -4.116 1.00 0.00 O ATOM 1056 CB ASP A 79 3.802 14.057 -1.073 1.00 0.00 C ATOM 1057 CG ASP A 79 5.162 14.369 -1.666 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.071 13.521 -1.570 1.00 0.00 O ATOM 1059 OD2 ASP A 79 5.329 15.465 -2.237 1.00 0.00 O ATOM 0 H ASP A 79 4.070 11.571 -0.684 1.00 0.00 H new ATOM 0 HA ASP A 79 1.979 13.220 -1.839 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.205 14.969 -1.046 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.928 13.728 -0.042 1.00 0.00 H new ATOM 1064 N GLY A 80 4.345 11.992 -3.655 1.00 0.00 N ATOM 1065 CA GLY A 80 4.830 11.878 -5.016 1.00 0.00 C ATOM 1066 C GLY A 80 6.343 11.994 -5.135 1.00 0.00 C ATOM 1067 O GLY A 80 6.910 11.700 -6.187 1.00 0.00 O ATOM 0 H GLY A 80 4.700 11.284 -3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.514 10.919 -5.426 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.365 12.654 -5.625 1.00 0.00 H new ATOM 1071 N THR A 81 7.002 12.428 -4.064 1.00 0.00 N ATOM 1072 CA THR A 81 8.456 12.577 -4.077 1.00 0.00 C ATOM 1073 C THR A 81 9.147 11.219 -4.075 1.00 0.00 C ATOM 1074 O THR A 81 8.841 10.363 -3.248 1.00 0.00 O ATOM 1075 CB THR A 81 8.956 13.382 -2.861 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.193 14.586 -2.718 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.428 13.730 -3.010 1.00 0.00 C ATOM 0 H THR A 81 6.557 12.681 -3.182 1.00 0.00 H new ATOM 0 HA THR A 81 8.704 13.116 -4.991 1.00 0.00 H new ATOM 0 HB THR A 81 8.830 12.764 -1.972 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.536 14.473 -2.000 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.758 14.298 -2.140 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.013 12.813 -3.088 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.571 14.329 -3.909 1.00 0.00 H new ATOM 1085 N ARG A 82 10.064 11.016 -5.010 1.00 0.00 N ATOM 1086 CA ARG A 82 10.800 9.764 -5.084 1.00 0.00 C ATOM 1087 C ARG A 82 11.991 9.811 -4.136 1.00 0.00 C ATOM 1088 O ARG A 82 12.618 10.857 -3.967 1.00 0.00 O ATOM 1089 CB ARG A 82 11.268 9.468 -6.513 1.00 0.00 C ATOM 1090 CG ARG A 82 12.235 10.495 -7.081 1.00 0.00 C ATOM 1091 CD ARG A 82 12.724 10.082 -8.461 1.00 0.00 C ATOM 1092 NE ARG A 82 13.411 8.787 -8.434 1.00 0.00 N ATOM 1093 CZ ARG A 82 13.144 7.776 -9.267 1.00 0.00 C ATOM 1094 NH1 ARG A 82 12.212 7.905 -10.207 1.00 0.00 N ATOM 1095 NH2 ARG A 82 13.808 6.632 -9.165 1.00 0.00 N ATOM 0 H ARG A 82 10.315 11.699 -5.725 1.00 0.00 H new ATOM 0 HA ARG A 82 10.130 8.958 -4.785 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.745 8.488 -6.531 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.395 9.409 -7.164 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.745 11.467 -7.141 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.086 10.609 -6.409 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.877 10.029 -9.145 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.400 10.844 -8.849 1.00 0.00 H new ATOM 0 HE ARG A 82 14.140 8.648 -7.734 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.695 8.780 -10.296 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.014 7.129 -10.839 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.526 6.521 -8.449 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.601 5.863 -9.803 1.00 0.00 H new ATOM 1109 N TRP A 83 12.291 8.689 -3.510 1.00 0.00 N ATOM 1110 CA TRP A 83 13.405 8.617 -2.577 1.00 0.00 C ATOM 1111 C TRP A 83 14.541 7.789 -3.166 1.00 0.00 C ATOM 1112 O TRP A 83 15.714 8.029 -2.878 1.00 0.00 O ATOM 1113 CB TRP A 83 12.946 8.009 -1.250 1.00 0.00 C ATOM 1114 CG TRP A 83 13.827 8.371 -0.088 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.948 7.714 0.335 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.659 9.483 0.797 1.00 0.00 C ATOM 1117 NE1 TRP A 83 15.487 8.352 1.427 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.713 9.440 1.732 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.718 10.511 0.891 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.850 10.389 2.745 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 12.855 11.451 1.896 1.00 0.00 C ATOM 1122 CH2 TRP A 83 13.914 11.385 2.810 1.00 0.00 C ATOM 0 H TRP A 83 11.781 7.814 -3.629 1.00 0.00 H new ATOM 0 HA TRP A 83 13.769 9.628 -2.395 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.928 8.339 -1.041 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.915 6.924 -1.348 1.00 0.00 H new ATOM 0 HD1 TRP A 83 15.352 6.823 -0.122 1.00 0.00 H new ATOM 0 HE1 TRP A 83 16.327 8.062 1.928 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.898 10.571 0.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.665 10.339 3.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 12.133 12.250 1.977 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.994 12.136 3.582 1.00 0.00 H new ATOM 1133 N GLY A 84 14.186 6.811 -3.986 1.00 0.00 N ATOM 1134 CA GLY A 84 15.187 5.963 -4.596 1.00 0.00 C ATOM 1135 C GLY A 84 14.613 4.636 -5.039 1.00 0.00 C ATOM 1136 O GLY A 84 13.486 4.579 -5.530 1.00 0.00 O ATOM 0 H GLY A 84 13.223 6.590 -4.239 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.621 6.475 -5.455 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.996 5.789 -3.886 1.00 0.00 H new ATOM 1140 N THR A 85 15.372 3.569 -4.849 1.00 0.00 N ATOM 1141 CA THR A 85 14.935 2.238 -5.236 1.00 0.00 C ATOM 1142 C THR A 85 14.779 1.331 -4.019 1.00 0.00 C ATOM 1143 O THR A 85 15.697 1.193 -3.211 1.00 0.00 O ATOM 1144 CB THR A 85 15.929 1.604 -6.223 1.00 0.00 C ATOM 1145 OG1 THR A 85 16.101 2.470 -7.355 1.00 0.00 O ATOM 1146 CG2 THR A 85 15.446 0.238 -6.691 1.00 0.00 C ATOM 0 H THR A 85 16.300 3.600 -4.426 1.00 0.00 H new ATOM 0 HA THR A 85 13.964 2.343 -5.721 1.00 0.00 H new ATOM 0 HB THR A 85 16.882 1.470 -5.711 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.736 2.066 -7.983 1.00 0.00 H new ATOM 0 HG21 THR A 85 16.170 -0.185 -7.388 1.00 0.00 H new ATOM 0 HG22 THR A 85 15.340 -0.424 -5.832 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.482 0.344 -7.189 1.00 0.00 H new ATOM 1154 N VAL A 86 13.616 0.712 -3.896 1.00 0.00 N ATOM 1155 CA VAL A 86 13.342 -0.181 -2.782 1.00 0.00 C ATOM 1156 C VAL A 86 13.439 -1.628 -3.247 1.00 0.00 C ATOM 1157 O VAL A 86 13.055 -1.954 -4.372 1.00 0.00 O ATOM 1158 CB VAL A 86 11.946 0.072 -2.176 1.00 0.00 C ATOM 1159 CG1 VAL A 86 11.862 -0.505 -0.772 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.615 1.556 -2.169 1.00 0.00 C ATOM 0 H VAL A 86 12.845 0.812 -4.556 1.00 0.00 H new ATOM 0 HA VAL A 86 14.085 0.015 -2.009 1.00 0.00 H new ATOM 0 HB VAL A 86 11.209 -0.433 -2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.870 -0.317 -0.360 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.042 -1.579 -0.809 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.613 -0.033 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.626 1.706 -1.737 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.356 2.091 -1.575 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.626 1.936 -3.191 1.00 0.00 H new ATOM 1170 N ASP A 87 13.961 -2.491 -2.389 1.00 0.00 N ATOM 1171 CA ASP A 87 14.124 -3.895 -2.726 1.00 0.00 C ATOM 1172 C ASP A 87 13.739 -4.784 -1.547 1.00 0.00 C ATOM 1173 O ASP A 87 14.168 -4.551 -0.417 1.00 0.00 O ATOM 1174 CB ASP A 87 15.577 -4.156 -3.127 1.00 0.00 C ATOM 1175 CG ASP A 87 15.791 -5.539 -3.695 1.00 0.00 C ATOM 1176 OD1 ASP A 87 16.026 -6.475 -2.908 1.00 0.00 O ATOM 1177 OD2 ASP A 87 15.748 -5.694 -4.934 1.00 0.00 O ATOM 0 H ASP A 87 14.279 -2.242 -1.452 1.00 0.00 H new ATOM 0 HA ASP A 87 13.466 -4.135 -3.561 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.884 -3.414 -3.865 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.218 -4.023 -2.256 1.00 0.00 H new ATOM 1182 N CYS A 88 12.924 -5.797 -1.817 1.00 0.00 N ATOM 1183 CA CYS A 88 12.478 -6.730 -0.788 1.00 0.00 C ATOM 1184 C CYS A 88 12.936 -8.156 -1.110 1.00 0.00 C ATOM 1185 O CYS A 88 12.188 -9.116 -0.938 1.00 0.00 O ATOM 1186 CB CYS A 88 10.951 -6.693 -0.657 1.00 0.00 C ATOM 1187 SG CYS A 88 10.285 -5.160 0.073 1.00 0.00 S ATOM 0 H CYS A 88 12.556 -5.994 -2.748 1.00 0.00 H new ATOM 0 HA CYS A 88 12.924 -6.425 0.159 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.512 -6.829 -1.645 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.632 -7.538 -0.047 1.00 0.00 H new ATOM 1192 N THR A 89 14.163 -8.294 -1.599 1.00 0.00 N ATOM 1193 CA THR A 89 14.698 -9.612 -1.912 1.00 0.00 C ATOM 1194 C THR A 89 15.308 -10.248 -0.665 1.00 0.00 C ATOM 1195 O THR A 89 15.151 -11.446 -0.429 1.00 0.00 O ATOM 1196 CB THR A 89 15.754 -9.552 -3.034 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.296 -8.690 -4.085 1.00 0.00 O ATOM 1198 CG2 THR A 89 16.028 -10.938 -3.600 1.00 0.00 C ATOM 0 H THR A 89 14.799 -7.519 -1.785 1.00 0.00 H new ATOM 0 HA THR A 89 13.867 -10.223 -2.264 1.00 0.00 H new ATOM 0 HB THR A 89 16.679 -9.161 -2.611 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.130 -7.794 -3.724 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.776 -10.867 -4.389 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.397 -11.588 -2.807 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.107 -11.352 -4.009 1.00 0.00 H new ATOM 1206 N THR A 90 15.981 -9.435 0.139 1.00 0.00 N ATOM 1207 CA THR A 90 16.603 -9.916 1.364 1.00 0.00 C ATOM 1208 C THR A 90 15.851 -9.384 2.586 1.00 0.00 C ATOM 1209 O THR A 90 16.257 -9.604 3.732 1.00 0.00 O ATOM 1210 CB THR A 90 18.097 -9.514 1.435 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.736 -10.171 2.538 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.263 -8.008 1.580 1.00 0.00 C ATOM 0 H THR A 90 16.110 -8.438 -0.036 1.00 0.00 H new ATOM 0 HA THR A 90 16.550 -11.005 1.361 1.00 0.00 H new ATOM 0 HB THR A 90 18.565 -9.824 0.501 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.123 -10.199 3.302 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.324 -7.762 1.627 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.812 -7.508 0.723 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.772 -7.674 2.494 1.00 0.00 H new ATOM 1220 N ALA A 91 14.748 -8.697 2.328 1.00 0.00 N ATOM 1221 CA ALA A 91 13.926 -8.128 3.384 1.00 0.00 C ATOM 1222 C ALA A 91 12.452 -8.341 3.069 1.00 0.00 C ATOM 1223 O ALA A 91 12.112 -8.909 2.029 1.00 0.00 O ATOM 1224 CB ALA A 91 14.230 -6.646 3.555 1.00 0.00 C ATOM 0 H ALA A 91 14.400 -8.519 1.386 1.00 0.00 H new ATOM 0 HA ALA A 91 14.158 -8.633 4.322 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.606 -6.236 4.349 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.281 -6.518 3.816 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.021 -6.122 2.622 1.00 0.00 H new ATOM 1230 N ALA A 92 11.582 -7.878 3.951 1.00 0.00 N ATOM 1231 CA ALA A 92 10.148 -8.031 3.758 1.00 0.00 C ATOM 1232 C ALA A 92 9.526 -6.725 3.299 1.00 0.00 C ATOM 1233 O ALA A 92 10.017 -5.644 3.633 1.00 0.00 O ATOM 1234 CB ALA A 92 9.488 -8.508 5.042 1.00 0.00 C ATOM 0 H ALA A 92 11.843 -7.392 4.809 1.00 0.00 H new ATOM 0 HA ALA A 92 9.985 -8.780 2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.416 -8.617 4.881 1.00 0.00 H new ATOM 0 HB2 ALA A 92 9.911 -9.469 5.333 1.00 0.00 H new ATOM 0 HB3 ALA A 92 9.663 -7.780 5.834 1.00 0.00 H new ATOM 1240 N CYS A 93 8.453 -6.833 2.533 1.00 0.00 N ATOM 1241 CA CYS A 93 7.752 -5.667 2.023 1.00 0.00 C ATOM 1242 C CYS A 93 6.526 -5.371 2.884 1.00 0.00 C ATOM 1243 O CYS A 93 6.169 -6.162 3.758 1.00 0.00 O ATOM 1244 CB CYS A 93 7.342 -5.893 0.564 1.00 0.00 C ATOM 1245 SG CYS A 93 8.394 -5.041 -0.668 1.00 0.00 S ATOM 0 H CYS A 93 8.046 -7.724 2.249 1.00 0.00 H new ATOM 0 HA CYS A 93 8.421 -4.807 2.065 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.359 -6.963 0.358 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.312 -5.560 0.435 1.00 0.00 H new ATOM 1250 N GLN A 94 5.881 -4.238 2.639 1.00 0.00 N ATOM 1251 CA GLN A 94 4.706 -3.838 3.401 1.00 0.00 C ATOM 1252 C GLN A 94 3.585 -3.379 2.472 1.00 0.00 C ATOM 1253 O GLN A 94 3.790 -3.194 1.270 1.00 0.00 O ATOM 1254 CB GLN A 94 5.062 -2.695 4.360 1.00 0.00 C ATOM 1255 CG GLN A 94 6.125 -3.047 5.388 1.00 0.00 C ATOM 1256 CD GLN A 94 6.815 -1.817 5.947 1.00 0.00 C ATOM 1257 OE1 GLN A 94 7.001 -0.822 5.248 1.00 0.00 O ATOM 1258 NE2 GLN A 94 7.184 -1.868 7.217 1.00 0.00 N ATOM 0 H GLN A 94 6.155 -3.576 1.913 1.00 0.00 H new ATOM 0 HA GLN A 94 4.364 -4.703 3.969 1.00 0.00 H new ATOM 0 HB2 GLN A 94 5.407 -1.841 3.777 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.159 -2.380 4.882 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.667 -3.606 6.204 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.867 -3.701 4.930 1.00 0.00 H new ATOM 0 HE21 GLN A 94 7.012 -2.711 7.764 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.640 -1.064 7.648 1.00 0.00 H new ATOM 1267 N VAL A 95 2.402 -3.203 3.035 1.00 0.00 N ATOM 1268 CA VAL A 95 1.248 -2.742 2.279 1.00 0.00 C ATOM 1269 C VAL A 95 0.870 -1.336 2.735 1.00 0.00 C ATOM 1270 O VAL A 95 0.509 -1.129 3.896 1.00 0.00 O ATOM 1271 CB VAL A 95 0.029 -3.678 2.451 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -1.055 -3.339 1.433 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.445 -5.139 2.332 1.00 0.00 C ATOM 0 H VAL A 95 2.214 -3.374 4.023 1.00 0.00 H new ATOM 0 HA VAL A 95 1.523 -2.741 1.224 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.380 -3.525 3.450 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.905 -4.008 1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.379 -2.308 1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.658 -3.458 0.425 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.430 -5.778 2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.885 -5.313 1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.178 -5.373 3.104 1.00 0.00 H new ATOM 1283 N GLY A 96 0.979 -0.375 1.833 1.00 0.00 N ATOM 1284 CA GLY A 96 0.656 0.996 2.167 1.00 0.00 C ATOM 1285 C GLY A 96 -0.780 1.336 1.854 1.00 0.00 C ATOM 1286 O GLY A 96 -1.181 1.337 0.693 1.00 0.00 O ATOM 0 H GLY A 96 1.287 -0.520 0.871 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.844 1.164 3.227 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.315 1.667 1.616 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.556 1.616 2.889 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.960 1.960 2.725 1.00 0.00 C ATOM 1292 C LEU A 97 -3.270 3.243 3.482 1.00 0.00 C ATOM 1293 O LEU A 97 -3.267 3.262 4.712 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.869 0.827 3.227 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.154 -0.433 3.731 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -2.665 -0.253 5.163 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -4.075 -1.639 3.629 1.00 0.00 C ATOM 0 H LEU A 97 -1.235 1.612 3.857 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.153 2.108 1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.490 1.216 4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.541 0.541 2.418 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.282 -0.603 3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.162 -1.162 5.493 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.968 0.583 5.207 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.515 -0.051 5.815 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.554 -2.526 3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.965 -1.469 4.234 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.366 -1.787 2.589 1.00 0.00 H new ATOM 1309 N SER A 98 -3.496 4.321 2.750 1.00 0.00 N ATOM 1310 CA SER A 98 -3.806 5.607 3.364 1.00 0.00 C ATOM 1311 C SER A 98 -4.879 6.347 2.575 1.00 0.00 C ATOM 1312 O SER A 98 -5.065 6.102 1.384 1.00 0.00 O ATOM 1313 CB SER A 98 -2.541 6.462 3.463 1.00 0.00 C ATOM 1314 OG SER A 98 -1.552 5.811 4.244 1.00 0.00 O ATOM 0 H SER A 98 -3.471 4.334 1.730 1.00 0.00 H new ATOM 0 HA SER A 98 -4.190 5.420 4.367 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.151 6.659 2.464 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.783 7.428 3.907 1.00 0.00 H new ATOM 0 HG SER A 98 -0.714 5.763 3.737 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.596 7.230 3.253 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.647 8.016 2.620 1.00 0.00 C ATOM 1322 C ASP A 99 -6.058 9.248 1.931 1.00 0.00 C ATOM 1323 O ASP A 99 -4.839 9.362 1.782 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.695 8.435 3.660 1.00 0.00 C ATOM 1325 CG ASP A 99 -7.310 9.694 4.412 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -6.374 9.644 5.235 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.935 10.745 4.178 1.00 0.00 O ATOM 0 H ASP A 99 -5.469 7.422 4.247 1.00 0.00 H new ATOM 0 HA ASP A 99 -7.132 7.399 1.863 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.651 8.594 3.161 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.838 7.622 4.372 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.928 10.167 1.520 1.00 0.00 N ATOM 1333 CA ALA A 100 -6.510 11.390 0.845 1.00 0.00 C ATOM 1334 C ALA A 100 -5.643 12.264 1.751 1.00 0.00 C ATOM 1335 O ALA A 100 -4.773 12.995 1.272 1.00 0.00 O ATOM 1336 CB ALA A 100 -7.730 12.165 0.380 1.00 0.00 C ATOM 0 H ALA A 100 -7.937 10.085 1.645 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.907 11.109 -0.019 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -7.411 13.078 -0.124 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.309 11.552 -0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.347 12.422 1.241 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.895 12.202 3.054 1.00 0.00 N ATOM 1343 CA ALA A 101 -5.131 12.981 4.018 1.00 0.00 C ATOM 1344 C ALA A 101 -3.843 12.259 4.393 1.00 0.00 C ATOM 1345 O ALA A 101 -2.748 12.823 4.300 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.965 13.255 5.259 1.00 0.00 C ATOM 0 H ALA A 101 -6.624 11.619 3.466 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.869 13.934 3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.379 13.838 5.970 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.859 13.813 4.981 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.256 12.310 5.718 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.977 11.008 4.816 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.814 10.225 5.190 1.00 0.00 C ATOM 1354 C GLY A 102 -3.042 9.398 6.438 1.00 0.00 C ATOM 1355 O GLY A 102 -2.150 9.268 7.277 1.00 0.00 O ATOM 0 H GLY A 102 -4.869 10.522 4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.546 9.564 4.366 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.968 10.893 5.352 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.243 8.864 6.577 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.592 8.034 7.720 1.00 0.00 C ATOM 1361 C ASN A 103 -5.289 6.775 7.237 1.00 0.00 C ATOM 1362 O ASN A 103 -5.305 6.489 6.038 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.504 8.790 8.697 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.866 10.044 9.255 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.992 9.985 10.118 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -5.309 11.197 8.778 1.00 0.00 N ATOM 0 H ASN A 103 -5.001 8.992 5.906 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.675 7.771 8.247 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.430 9.056 8.188 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.772 8.128 9.521 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.924 12.075 9.126 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.035 11.207 8.062 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.868 6.027 8.162 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.562 4.811 7.801 1.00 0.00 C ATOM 1375 C GLY A 104 -6.112 3.631 8.632 1.00 0.00 C ATOM 1376 O GLY A 104 -5.708 3.805 9.784 1.00 0.00 O ATOM 0 H GLY A 104 -5.869 6.241 9.159 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.635 4.955 7.928 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.392 4.597 6.746 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.165 2.413 8.072 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.757 1.196 8.783 1.00 0.00 C ATOM 1382 C PRO A 105 -4.251 1.143 9.048 1.00 0.00 C ATOM 1383 O PRO A 105 -3.483 1.948 8.514 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.180 0.064 7.843 1.00 0.00 C ATOM 1385 CG PRO A 105 -6.252 0.686 6.491 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.628 2.127 6.701 1.00 0.00 C ATOM 0 HA PRO A 105 -6.216 1.137 9.770 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.460 -0.754 7.862 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.143 -0.353 8.137 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -5.294 0.606 5.976 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -6.991 0.179 5.870 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.145 2.777 5.971 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.703 2.279 6.601 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.837 0.196 9.881 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.427 0.031 10.223 1.00 0.00 C ATOM 1396 C GLU A 106 -1.659 -0.604 9.071 1.00 0.00 C ATOM 1397 O GLU A 106 -2.236 -1.320 8.251 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.276 -0.841 11.471 1.00 0.00 C ATOM 1399 CG GLU A 106 -2.749 -0.175 12.747 1.00 0.00 C ATOM 1400 CD GLU A 106 -2.522 -1.043 13.962 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -1.348 -1.314 14.291 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -3.513 -1.469 14.590 1.00 0.00 O ATOM 0 H GLU A 106 -4.460 -0.473 10.335 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.016 1.021 10.421 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.836 -1.765 11.326 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.228 -1.118 11.584 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.225 0.772 12.876 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.811 0.057 12.662 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.361 -0.334 9.016 1.00 0.00 N ATOM 1410 CA GLY A 107 0.473 -0.892 7.972 1.00 0.00 C ATOM 1411 C GLY A 107 0.734 -2.366 8.193 1.00 0.00 C ATOM 1412 O GLY A 107 1.101 -2.781 9.296 1.00 0.00 O ATOM 0 H GLY A 107 0.130 0.265 9.680 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.009 -0.749 7.005 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.421 -0.356 7.938 1.00 0.00 H new ATOM 1416 N VAL A 108 0.527 -3.164 7.160 1.00 0.00 N ATOM 1417 CA VAL A 108 0.733 -4.603 7.250 1.00 0.00 C ATOM 1418 C VAL A 108 2.026 -5.004 6.548 1.00 0.00 C ATOM 1419 O VAL A 108 2.316 -4.527 5.451 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.445 -5.379 6.621 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.383 -6.853 6.990 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.779 -4.777 7.044 1.00 0.00 C ATOM 0 H VAL A 108 0.215 -2.840 6.244 1.00 0.00 H new ATOM 0 HA VAL A 108 0.797 -4.856 8.308 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.361 -5.295 5.537 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.223 -7.378 6.535 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.552 -7.280 6.626 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.433 -6.959 8.074 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.593 -5.340 6.588 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.870 -4.821 8.129 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.829 -3.738 6.717 1.00 0.00 H new ATOM 1432 N ALA A 109 2.798 -5.874 7.186 1.00 0.00 N ATOM 1433 CA ALA A 109 4.052 -6.344 6.623 1.00 0.00 C ATOM 1434 C ALA A 109 3.885 -7.750 6.067 1.00 0.00 C ATOM 1435 O ALA A 109 3.198 -8.582 6.664 1.00 0.00 O ATOM 1436 CB ALA A 109 5.147 -6.313 7.679 1.00 0.00 C ATOM 0 H ALA A 109 2.574 -6.269 8.099 1.00 0.00 H new ATOM 0 HA ALA A 109 4.341 -5.682 5.807 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.082 -6.668 7.244 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.278 -5.292 8.038 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.867 -6.957 8.512 1.00 0.00 H new ATOM 1442 N ILE A 110 4.500 -8.008 4.923 1.00 0.00 N ATOM 1443 CA ILE A 110 4.413 -9.313 4.286 1.00 0.00 C ATOM 1444 C ILE A 110 5.798 -9.831 3.909 1.00 0.00 C ATOM 1445 O ILE A 110 6.589 -9.136 3.268 1.00 0.00 O ATOM 1446 CB ILE A 110 3.516 -9.277 3.027 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.921 -8.125 2.098 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.051 -9.155 3.424 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.159 -8.104 0.790 1.00 0.00 C ATOM 0 H ILE A 110 5.067 -7.328 4.415 1.00 0.00 H new ATOM 0 HA ILE A 110 3.962 -9.989 5.012 1.00 0.00 H new ATOM 0 HB ILE A 110 3.653 -10.212 2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.763 -7.179 2.616 1.00 0.00 H new ATOM 0 HG13 ILE A 110 4.988 -8.198 1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.432 -9.131 2.527 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.768 -10.010 4.038 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.903 -8.236 3.992 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.498 -7.263 0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.337 -9.034 0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.093 -7.999 0.992 1.00 0.00 H new ATOM 1461 N SER A 111 6.090 -11.052 4.326 1.00 0.00 N ATOM 1462 CA SER A 111 7.370 -11.678 4.036 1.00 0.00 C ATOM 1463 C SER A 111 7.189 -12.785 3.007 1.00 0.00 C ATOM 1464 O SER A 111 6.160 -13.465 2.995 1.00 0.00 O ATOM 1465 CB SER A 111 7.975 -12.244 5.323 1.00 0.00 C ATOM 1466 OG SER A 111 7.706 -11.388 6.426 1.00 0.00 O ATOM 0 H SER A 111 5.453 -11.633 4.870 1.00 0.00 H new ATOM 0 HA SER A 111 8.048 -10.929 3.627 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.565 -13.235 5.518 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.052 -12.362 5.203 1.00 0.00 H new ATOM 0 HG SER A 111 8.100 -11.768 7.239 1.00 0.00 H new ATOM 1472 N PHE A 112 8.182 -12.966 2.152 1.00 0.00 N ATOM 1473 CA PHE A 112 8.116 -13.984 1.119 1.00 0.00 C ATOM 1474 C PHE A 112 8.776 -15.273 1.592 1.00 0.00 C ATOM 1475 O PHE A 112 9.333 -15.336 2.692 1.00 0.00 O ATOM 1476 CB PHE A 112 8.793 -13.489 -0.163 1.00 0.00 C ATOM 1477 CG PHE A 112 8.406 -12.089 -0.559 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.101 -11.792 -0.925 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.347 -11.072 -0.567 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.744 -10.511 -1.289 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.994 -9.788 -0.931 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.692 -9.507 -1.293 1.00 0.00 C ATOM 0 H PHE A 112 9.044 -12.420 2.154 1.00 0.00 H new ATOM 0 HA PHE A 112 7.066 -14.187 0.908 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.874 -13.532 -0.031 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.544 -14.168 -0.978 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.356 -12.574 -0.925 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.367 -11.286 -0.285 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.724 -10.293 -1.571 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.736 -9.004 -0.933 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.415 -8.503 -1.579 1.00 0.00 H new ATOM 1492 N ASN A 113 8.700 -16.303 0.763 1.00 0.00 N ATOM 1493 CA ASN A 113 9.306 -17.591 1.086 1.00 0.00 C ATOM 1494 C ASN A 113 10.638 -17.730 0.369 1.00 0.00 C ATOM 1495 O ASN A 113 11.403 -18.652 0.707 1.00 0.00 O ATOM 1496 CB ASN A 113 8.381 -18.759 0.713 1.00 0.00 C ATOM 1497 CG ASN A 113 8.083 -18.843 -0.772 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.899 -19.319 -1.558 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.896 -18.411 -1.161 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.926 -16.907 -0.526 1.00 0.00 O ATOM 0 H ASN A 113 8.225 -16.275 -0.139 1.00 0.00 H new ATOM 0 HA ASN A 113 9.468 -17.626 2.163 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.839 -19.693 1.037 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.443 -18.658 1.259 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.630 -18.467 -2.144 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.246 -18.022 -0.478 1.00 0.00 H new