USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 377 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 41 THR OG1 : rot -130:sc= 0.629 USER MOD Set 1.2: A 49 THR OG1 : rot -160:sc= 0.565 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0116 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.266 K(o=-0.27,f=-1.3) USER MOD Single : A 21 HIS : no HD1:sc= -0.0323 X(o=-0.032,f=-0.26) USER MOD Single : A 24 SER OG : rot 103:sc= 0.0841 USER MOD Single : A 26 HIS : no HE2:sc= 0.0903 K(o=0.09,f=-3.5!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.281 K(o=0.28,f=-6.6!) USER MOD Single : A 39 GLN :FLIP amide:sc=-0.00236 F(o=-0.67,f=-0.0024) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0117 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 28 N CYS A 3 -12.980 -0.813 -0.138 1.00 0.00 N ATOM 29 CA CYS A 3 -11.675 -1.446 -0.067 1.00 0.00 C ATOM 30 C CYS A 3 -11.611 -2.649 -1.013 1.00 0.00 C ATOM 31 O CYS A 3 -11.879 -3.778 -0.600 1.00 0.00 O ATOM 32 CB CYS A 3 -11.397 -1.868 1.379 1.00 0.00 C ATOM 33 SG CYS A 3 -12.780 -2.621 2.275 1.00 0.00 S ATOM 0 HA CYS A 3 -10.909 -0.737 -0.382 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -10.566 -2.574 1.376 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -11.067 -0.990 1.934 1.00 0.00 H new ATOM 38 N PRO A 4 -11.257 -2.413 -2.283 1.00 0.00 N ATOM 39 CA PRO A 4 -11.072 -3.446 -3.291 1.00 0.00 C ATOM 40 C PRO A 4 -9.741 -4.170 -3.081 1.00 0.00 C ATOM 41 O PRO A 4 -9.000 -3.862 -2.146 1.00 0.00 O ATOM 42 CB PRO A 4 -11.102 -2.697 -4.619 1.00 0.00 C ATOM 43 CG PRO A 4 -10.469 -1.359 -4.254 1.00 0.00 C ATOM 44 CD PRO A 4 -11.009 -1.098 -2.850 1.00 0.00 C ATOM 0 HA PRO A 4 -11.840 -4.218 -3.248 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.536 -3.217 -5.392 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -12.118 -2.577 -4.995 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -9.380 -1.411 -4.265 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -10.758 -0.572 -4.951 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.290 -0.540 -2.250 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -11.923 -0.506 -2.884 1.00 0.00 H new ATOM 52 N THR A 5 -9.435 -5.134 -3.952 1.00 0.00 N ATOM 53 CA THR A 5 -8.203 -5.910 -3.871 1.00 0.00 C ATOM 54 C THR A 5 -7.445 -5.833 -5.194 1.00 0.00 C ATOM 55 O THR A 5 -7.982 -6.198 -6.238 1.00 0.00 O ATOM 56 CB THR A 5 -8.520 -7.368 -3.536 1.00 0.00 C ATOM 57 OG1 THR A 5 -9.401 -7.442 -2.436 1.00 0.00 O ATOM 58 CG2 THR A 5 -7.238 -8.118 -3.194 1.00 0.00 C ATOM 0 H THR A 5 -10.037 -5.396 -4.733 1.00 0.00 H new ATOM 0 HA THR A 5 -7.579 -5.493 -3.081 1.00 0.00 H new ATOM 0 HB THR A 5 -8.991 -7.822 -4.408 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.595 -8.381 -2.235 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.475 -9.155 -2.957 1.00 0.00 H new ATOM 0 HG22 THR A 5 -6.560 -8.087 -4.047 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.761 -7.649 -2.333 1.00 0.00 H new ATOM 66 N ARG A 6 -6.195 -5.362 -5.147 1.00 0.00 N ATOM 67 CA ARG A 6 -5.314 -5.272 -6.306 1.00 0.00 C ATOM 68 C ARG A 6 -3.877 -5.556 -5.875 1.00 0.00 C ATOM 69 O ARG A 6 -3.455 -5.089 -4.821 1.00 0.00 O ATOM 70 CB ARG A 6 -5.388 -3.863 -6.900 1.00 0.00 C ATOM 71 CG ARG A 6 -6.774 -3.490 -7.431 1.00 0.00 C ATOM 72 CD ARG A 6 -7.168 -4.326 -8.649 1.00 0.00 C ATOM 73 NE ARG A 6 -6.257 -4.098 -9.776 1.00 0.00 N ATOM 74 CZ ARG A 6 -6.178 -4.897 -10.846 1.00 0.00 C ATOM 75 NH1 ARG A 6 -6.959 -5.967 -10.954 1.00 0.00 N ATOM 76 NH2 ARG A 6 -5.311 -4.623 -11.816 1.00 0.00 N ATOM 0 H ARG A 6 -5.763 -5.028 -4.285 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.627 -6.001 -7.053 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.095 -3.141 -6.138 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.664 -3.782 -7.711 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.513 -3.629 -6.642 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.787 -2.433 -7.698 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.162 -5.383 -8.383 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -8.187 -4.078 -8.947 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.647 -3.281 -9.742 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.628 -6.187 -10.216 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.889 -6.569 -11.775 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -4.707 -3.804 -11.744 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -5.250 -5.232 -12.632 1.00 0.00 H new ATOM 90 N ARG A 7 -3.126 -6.312 -6.686 1.00 0.00 N ATOM 91 CA ARG A 7 -1.730 -6.638 -6.394 1.00 0.00 C ATOM 92 C ARG A 7 -0.851 -6.537 -7.642 1.00 0.00 C ATOM 93 O ARG A 7 0.372 -6.562 -7.531 1.00 0.00 O ATOM 94 CB ARG A 7 -1.637 -8.058 -5.822 1.00 0.00 C ATOM 95 CG ARG A 7 -2.406 -8.246 -4.514 1.00 0.00 C ATOM 96 CD ARG A 7 -1.857 -7.394 -3.366 1.00 0.00 C ATOM 97 NE ARG A 7 -0.458 -7.703 -3.057 1.00 0.00 N ATOM 98 CZ ARG A 7 -0.038 -8.771 -2.374 1.00 0.00 C ATOM 99 NH1 ARG A 7 -0.894 -9.690 -1.934 1.00 0.00 N ATOM 100 NH2 ARG A 7 1.261 -8.920 -2.130 1.00 0.00 N ATOM 0 H ARG A 7 -3.470 -6.712 -7.559 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.368 -5.914 -5.664 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.017 -8.763 -6.561 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.589 -8.305 -5.655 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.454 -7.994 -4.676 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.371 -9.297 -4.227 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.944 -6.339 -3.627 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.466 -7.553 -2.476 1.00 0.00 H new ATOM 0 HE ARG A 7 0.251 -7.050 -3.390 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.892 -9.586 -2.117 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.552 -10.498 -1.414 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.926 -8.222 -2.464 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.592 -9.732 -1.609 1.00 0.00 H new ATOM 114 N GLY A 8 -1.460 -6.426 -8.825 1.00 0.00 N ATOM 115 CA GLY A 8 -0.746 -6.359 -10.099 1.00 0.00 C ATOM 116 C GLY A 8 -0.460 -4.922 -10.537 1.00 0.00 C ATOM 117 O GLY A 8 -0.075 -4.696 -11.681 1.00 0.00 O ATOM 0 H GLY A 8 -2.474 -6.380 -8.925 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.195 -6.903 -10.013 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.335 -6.859 -10.868 1.00 0.00 H new ATOM 121 N LEU A 9 -0.647 -3.952 -9.640 1.00 0.00 N ATOM 122 CA LEU A 9 -0.517 -2.537 -9.955 1.00 0.00 C ATOM 123 C LEU A 9 0.871 -2.178 -10.484 1.00 0.00 C ATOM 124 O LEU A 9 1.010 -1.197 -11.214 1.00 0.00 O ATOM 125 CB LEU A 9 -0.814 -1.738 -8.685 1.00 0.00 C ATOM 126 CG LEU A 9 -2.256 -1.934 -8.210 1.00 0.00 C ATOM 127 CD1 LEU A 9 -2.420 -1.310 -6.833 1.00 0.00 C ATOM 128 CD2 LEU A 9 -3.239 -1.258 -9.165 1.00 0.00 C ATOM 0 H LEU A 9 -0.895 -4.133 -8.667 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.224 -2.294 -10.748 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.127 -2.043 -7.895 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.634 -0.679 -8.872 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.464 -3.003 -8.178 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.446 -1.447 -6.491 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.737 -1.790 -6.132 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.195 -0.245 -6.887 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.257 -1.411 -8.807 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.026 -0.190 -9.210 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.135 -1.691 -10.160 1.00 0.00 H new ATOM 140 N CYS A 10 1.900 -2.953 -10.131 1.00 0.00 N ATOM 141 CA CYS A 10 3.267 -2.651 -10.533 1.00 0.00 C ATOM 142 C CYS A 10 3.596 -3.231 -11.912 1.00 0.00 C ATOM 143 O CYS A 10 4.752 -3.234 -12.325 1.00 0.00 O ATOM 144 CB CYS A 10 4.236 -3.111 -9.439 1.00 0.00 C ATOM 145 SG CYS A 10 5.786 -2.177 -9.395 1.00 0.00 S ATOM 0 H CYS A 10 1.806 -3.797 -9.565 1.00 0.00 H new ATOM 0 HA CYS A 10 3.378 -1.572 -10.642 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.743 -3.025 -8.471 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.463 -4.167 -9.588 1.00 0.00 H new ATOM 150 N VAL A 11 2.579 -3.728 -12.635 1.00 0.00 N ATOM 151 CA VAL A 11 2.756 -4.310 -13.960 1.00 0.00 C ATOM 152 C VAL A 11 1.928 -3.567 -15.006 1.00 0.00 C ATOM 153 O VAL A 11 2.194 -3.694 -16.201 1.00 0.00 O ATOM 154 CB VAL A 11 2.357 -5.791 -13.908 1.00 0.00 C ATOM 155 CG1 VAL A 11 2.643 -6.498 -15.235 1.00 0.00 C ATOM 156 CG2 VAL A 11 3.156 -6.513 -12.827 1.00 0.00 C ATOM 0 H VAL A 11 1.612 -3.734 -12.310 1.00 0.00 H new ATOM 0 HA VAL A 11 3.802 -4.220 -14.252 1.00 0.00 H new ATOM 0 HB VAL A 11 1.288 -5.824 -13.696 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.348 -7.545 -15.161 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.077 -6.017 -16.033 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.708 -6.436 -15.458 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.865 -7.563 -12.799 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.220 -6.438 -13.050 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.955 -6.055 -11.859 1.00 0.00 H new ATOM 166 N THR A 12 0.929 -2.789 -14.576 1.00 0.00 N ATOM 167 CA THR A 12 0.034 -2.086 -15.491 1.00 0.00 C ATOM 168 C THR A 12 0.068 -0.576 -15.293 1.00 0.00 C ATOM 169 O THR A 12 -0.373 0.159 -16.174 1.00 0.00 O ATOM 170 CB THR A 12 -1.394 -2.607 -15.311 1.00 0.00 C ATOM 171 OG1 THR A 12 -1.792 -2.445 -13.969 1.00 0.00 O ATOM 172 CG2 THR A 12 -1.480 -4.088 -15.684 1.00 0.00 C ATOM 0 H THR A 12 0.722 -2.632 -13.590 1.00 0.00 H new ATOM 0 HA THR A 12 0.380 -2.283 -16.506 1.00 0.00 H new ATOM 0 HB THR A 12 -2.053 -2.038 -15.967 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.707 -2.778 -13.857 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.503 -4.438 -15.549 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.186 -4.219 -16.726 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.812 -4.664 -15.044 1.00 0.00 H new ATOM 180 N SER A 13 0.584 -0.107 -14.153 1.00 0.00 N ATOM 181 CA SER A 13 0.654 1.314 -13.848 1.00 0.00 C ATOM 182 C SER A 13 1.958 1.706 -13.151 1.00 0.00 C ATOM 183 O SER A 13 2.326 2.880 -13.155 1.00 0.00 O ATOM 184 CB SER A 13 -0.518 1.650 -12.936 1.00 0.00 C ATOM 185 OG SER A 13 -1.724 1.651 -13.668 1.00 0.00 O ATOM 0 H SER A 13 0.963 -0.706 -13.420 1.00 0.00 H new ATOM 0 HA SER A 13 0.616 1.868 -14.786 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.577 0.923 -12.126 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.362 2.626 -12.477 1.00 0.00 H new ATOM 0 HG SER A 13 -2.470 1.867 -13.070 1.00 0.00 H new ATOM 191 N GLY A 14 2.655 0.736 -12.560 1.00 0.00 N ATOM 192 CA GLY A 14 3.938 0.955 -11.911 1.00 0.00 C ATOM 193 C GLY A 14 3.787 1.211 -10.413 1.00 0.00 C ATOM 194 O GLY A 14 2.692 1.107 -9.860 1.00 0.00 O ATOM 0 H GLY A 14 2.338 -0.233 -12.520 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.576 0.085 -12.067 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.438 1.805 -12.375 1.00 0.00 H new ATOM 198 N LEU A 15 4.900 1.552 -9.757 1.00 0.00 N ATOM 199 CA LEU A 15 4.946 1.749 -8.314 1.00 0.00 C ATOM 200 C LEU A 15 4.042 2.900 -7.870 1.00 0.00 C ATOM 201 O LEU A 15 3.572 2.910 -6.733 1.00 0.00 O ATOM 202 CB LEU A 15 6.404 2.014 -7.926 1.00 0.00 C ATOM 203 CG LEU A 15 6.572 2.387 -6.447 1.00 0.00 C ATOM 204 CD1 LEU A 15 6.086 1.272 -5.518 1.00 0.00 C ATOM 205 CD2 LEU A 15 8.048 2.652 -6.159 1.00 0.00 C ATOM 0 H LEU A 15 5.797 1.699 -10.219 1.00 0.00 H new ATOM 0 HA LEU A 15 4.574 0.857 -7.810 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.999 1.126 -8.141 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.798 2.820 -8.545 1.00 0.00 H new ATOM 0 HG LEU A 15 5.971 3.277 -6.259 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.223 1.577 -4.481 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.029 1.079 -5.703 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.659 0.365 -5.708 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.172 2.917 -5.109 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.628 1.755 -6.378 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.399 3.473 -6.785 1.00 0.00 H new ATOM 217 N THR A 16 3.785 3.876 -8.746 1.00 0.00 N ATOM 218 CA THR A 16 2.964 5.027 -8.388 1.00 0.00 C ATOM 219 C THR A 16 1.538 4.590 -8.057 1.00 0.00 C ATOM 220 O THR A 16 0.918 5.161 -7.163 1.00 0.00 O ATOM 221 CB THR A 16 2.959 6.047 -9.533 1.00 0.00 C ATOM 222 OG1 THR A 16 4.283 6.423 -9.848 1.00 0.00 O ATOM 223 CG2 THR A 16 2.201 7.311 -9.135 1.00 0.00 C ATOM 0 H THR A 16 4.134 3.888 -9.704 1.00 0.00 H new ATOM 0 HA THR A 16 3.391 5.496 -7.502 1.00 0.00 H new ATOM 0 HB THR A 16 2.474 5.579 -10.389 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.273 7.073 -10.581 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.212 8.018 -9.964 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.170 7.055 -8.890 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.679 7.763 -8.266 1.00 0.00 H new ATOM 231 N ALA A 17 1.010 3.583 -8.762 1.00 0.00 N ATOM 232 CA ALA A 17 -0.338 3.106 -8.495 1.00 0.00 C ATOM 233 C ALA A 17 -0.349 2.165 -7.296 1.00 0.00 C ATOM 234 O ALA A 17 -1.338 2.099 -6.572 1.00 0.00 O ATOM 235 CB ALA A 17 -0.880 2.415 -9.740 1.00 0.00 C ATOM 0 H ALA A 17 1.495 3.091 -9.513 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.980 3.952 -8.251 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.890 2.055 -9.546 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.900 3.122 -10.569 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.238 1.572 -9.997 1.00 0.00 H new ATOM 241 N CYS A 18 0.751 1.435 -7.078 1.00 0.00 N ATOM 242 CA CYS A 18 0.884 0.559 -5.927 1.00 0.00 C ATOM 243 C CYS A 18 0.981 1.393 -4.651 1.00 0.00 C ATOM 244 O CYS A 18 0.543 0.960 -3.588 1.00 0.00 O ATOM 245 CB CYS A 18 2.128 -0.310 -6.132 1.00 0.00 C ATOM 246 SG CYS A 18 2.602 -1.322 -4.705 1.00 0.00 S ATOM 0 H CYS A 18 1.564 1.440 -7.694 1.00 0.00 H new ATOM 0 HA CYS A 18 0.012 -0.087 -5.826 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.956 -0.968 -6.984 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.965 0.337 -6.393 1.00 0.00 H new ATOM 251 N ARG A 19 1.551 2.599 -4.750 1.00 0.00 N ATOM 252 CA ARG A 19 1.672 3.498 -3.613 1.00 0.00 C ATOM 253 C ARG A 19 0.352 4.210 -3.347 1.00 0.00 C ATOM 254 O ARG A 19 0.009 4.458 -2.194 1.00 0.00 O ATOM 255 CB ARG A 19 2.789 4.500 -3.900 1.00 0.00 C ATOM 256 CG ARG A 19 3.172 5.248 -2.623 1.00 0.00 C ATOM 257 CD ARG A 19 4.339 6.192 -2.900 1.00 0.00 C ATOM 258 NE ARG A 19 4.767 6.868 -1.669 1.00 0.00 N ATOM 259 CZ ARG A 19 4.410 8.102 -1.310 1.00 0.00 C ATOM 260 NH1 ARG A 19 3.599 8.827 -2.074 1.00 0.00 N ATOM 261 NH2 ARG A 19 4.867 8.617 -0.175 1.00 0.00 N ATOM 0 H ARG A 19 1.937 2.971 -5.618 1.00 0.00 H new ATOM 0 HA ARG A 19 1.918 2.928 -2.717 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.659 3.980 -4.300 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.464 5.209 -4.661 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.317 5.813 -2.253 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.446 4.537 -1.844 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.174 5.632 -3.321 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.045 6.933 -3.643 1.00 0.00 H new ATOM 0 HE ARG A 19 5.385 6.355 -1.040 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.241 8.441 -2.948 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.335 9.769 -1.787 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.489 8.069 0.419 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.596 9.560 0.103 1.00 0.00 H new ATOM 275 N ASN A 20 -0.387 4.535 -4.409 1.00 0.00 N ATOM 276 CA ASN A 20 -1.685 5.180 -4.273 1.00 0.00 C ATOM 277 C ASN A 20 -2.741 4.190 -3.771 1.00 0.00 C ATOM 278 O ASN A 20 -3.775 4.607 -3.262 1.00 0.00 O ATOM 279 CB ASN A 20 -2.095 5.776 -5.621 1.00 0.00 C ATOM 280 CG ASN A 20 -1.176 6.914 -6.055 1.00 0.00 C ATOM 281 OD1 ASN A 20 -0.350 7.400 -5.284 1.00 0.00 O ATOM 282 ND2 ASN A 20 -1.313 7.351 -7.303 1.00 0.00 N ATOM 0 H ASN A 20 -0.104 4.360 -5.373 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.610 5.978 -3.535 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.084 4.994 -6.380 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.119 6.144 -5.557 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.724 8.110 -7.645 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.007 6.927 -7.918 1.00 0.00 H new ATOM 289 N HIS A 21 -2.487 2.883 -3.913 1.00 0.00 N ATOM 290 CA HIS A 21 -3.383 1.855 -3.409 1.00 0.00 C ATOM 291 C HIS A 21 -3.087 1.554 -1.942 1.00 0.00 C ATOM 292 O HIS A 21 -3.999 1.244 -1.179 1.00 0.00 O ATOM 293 CB HIS A 21 -3.210 0.602 -4.265 1.00 0.00 C ATOM 294 CG HIS A 21 -4.095 -0.540 -3.852 1.00 0.00 C ATOM 295 ND1 HIS A 21 -5.447 -0.660 -4.085 1.00 0.00 N ATOM 296 CD2 HIS A 21 -3.702 -1.667 -3.181 1.00 0.00 C ATOM 297 CE1 HIS A 21 -5.849 -1.830 -3.563 1.00 0.00 C ATOM 298 NE2 HIS A 21 -4.819 -2.486 -3.001 1.00 0.00 N ATOM 0 H HIS A 21 -1.657 2.518 -4.379 1.00 0.00 H new ATOM 0 HA HIS A 21 -4.415 2.202 -3.469 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -3.417 0.852 -5.305 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -2.170 0.280 -4.216 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.698 -1.886 -2.847 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -6.865 -2.195 -3.591 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.847 -3.395 -2.538 1.00 0.00 H new ATOM 306 N CYS A 22 -1.816 1.649 -1.542 1.00 0.00 N ATOM 307 CA CYS A 22 -1.421 1.431 -0.158 1.00 0.00 C ATOM 308 C CYS A 22 -1.727 2.650 0.712 1.00 0.00 C ATOM 309 O CYS A 22 -1.931 2.501 1.915 1.00 0.00 O ATOM 310 CB CYS A 22 0.068 1.102 -0.101 1.00 0.00 C ATOM 311 SG CYS A 22 0.502 -0.518 -0.783 1.00 0.00 S ATOM 0 H CYS A 22 -1.042 1.877 -2.166 1.00 0.00 H new ATOM 0 HA CYS A 22 -1.998 0.594 0.236 1.00 0.00 H new ATOM 0 HB2 CYS A 22 0.619 1.871 -0.644 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.398 1.146 0.937 1.00 0.00 H new ATOM 316 N ARG A 23 -1.767 3.850 0.121 1.00 0.00 N ATOM 317 CA ARG A 23 -2.090 5.078 0.842 1.00 0.00 C ATOM 318 C ARG A 23 -3.597 5.317 0.883 1.00 0.00 C ATOM 319 O ARG A 23 -4.046 6.376 1.319 1.00 0.00 O ATOM 320 CB ARG A 23 -1.334 6.260 0.235 1.00 0.00 C ATOM 321 CG ARG A 23 0.159 6.140 0.558 1.00 0.00 C ATOM 322 CD ARG A 23 0.955 7.274 -0.085 1.00 0.00 C ATOM 323 NE ARG A 23 0.490 8.590 0.357 1.00 0.00 N ATOM 324 CZ ARG A 23 0.841 9.173 1.506 1.00 0.00 C ATOM 325 NH1 ARG A 23 1.655 8.565 2.363 1.00 0.00 N ATOM 326 NH2 ARG A 23 0.374 10.383 1.802 1.00 0.00 N ATOM 0 H ARG A 23 -1.576 3.993 -0.871 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.765 4.972 1.877 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.482 6.282 -0.845 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.727 7.197 0.630 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.303 6.158 1.638 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.535 5.181 0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.011 7.161 0.162 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.872 7.206 -1.170 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.147 9.098 -0.256 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.022 7.638 2.148 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.913 9.025 3.236 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.250 10.862 1.152 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.640 10.832 2.679 1.00 0.00 H new ATOM 340 N SER A 24 -4.376 4.332 0.428 1.00 0.00 N ATOM 341 CA SER A 24 -5.830 4.347 0.464 1.00 0.00 C ATOM 342 C SER A 24 -6.309 3.026 1.055 1.00 0.00 C ATOM 343 O SER A 24 -5.528 2.084 1.187 1.00 0.00 O ATOM 344 CB SER A 24 -6.389 4.559 -0.944 1.00 0.00 C ATOM 345 OG SER A 24 -6.019 5.836 -1.416 1.00 0.00 O ATOM 0 H SER A 24 -3.996 3.481 0.014 1.00 0.00 H new ATOM 0 HA SER A 24 -6.186 5.169 1.085 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.010 3.789 -1.616 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.475 4.466 -0.932 1.00 0.00 H new ATOM 0 HG SER A 24 -5.282 5.747 -2.056 1.00 0.00 H new ATOM 351 N CYS A 25 -7.591 2.939 1.416 1.00 0.00 N ATOM 352 CA CYS A 25 -8.105 1.737 2.048 1.00 0.00 C ATOM 353 C CYS A 25 -8.230 0.610 1.026 1.00 0.00 C ATOM 354 O CYS A 25 -8.742 0.810 -0.076 1.00 0.00 O ATOM 355 CB CYS A 25 -9.426 2.036 2.751 1.00 0.00 C ATOM 356 SG CYS A 25 -9.302 3.420 3.912 1.00 0.00 S ATOM 0 H CYS A 25 -8.279 3.680 1.281 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.403 1.399 2.810 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -10.188 2.261 2.004 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -9.757 1.146 3.287 1.00 0.00 H new ATOM 361 N HIS A 26 -7.758 -0.579 1.405 1.00 0.00 N ATOM 362 CA HIS A 26 -7.746 -1.758 0.550 1.00 0.00 C ATOM 363 C HIS A 26 -7.971 -3.006 1.398 1.00 0.00 C ATOM 364 O HIS A 26 -7.963 -2.940 2.627 1.00 0.00 O ATOM 365 CB HIS A 26 -6.404 -1.820 -0.179 1.00 0.00 C ATOM 366 CG HIS A 26 -5.239 -1.700 0.769 1.00 0.00 C ATOM 367 ND1 HIS A 26 -4.450 -0.578 0.946 1.00 0.00 N ATOM 368 CD2 HIS A 26 -4.783 -2.671 1.617 1.00 0.00 C ATOM 369 CE1 HIS A 26 -3.539 -0.861 1.895 1.00 0.00 C ATOM 370 NE2 HIS A 26 -3.725 -2.127 2.314 1.00 0.00 N ATOM 0 H HIS A 26 -7.367 -0.748 2.332 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.546 -1.704 -0.188 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -6.331 -2.761 -0.725 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.355 -1.019 -0.916 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -4.542 0.306 0.446 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -5.176 -3.672 1.721 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.782 -0.183 2.261 1.00 0.00 H new ATOM 379 N ARG A 27 -8.174 -4.153 0.744 1.00 0.00 N ATOM 380 CA ARG A 27 -8.461 -5.401 1.436 1.00 0.00 C ATOM 381 C ARG A 27 -7.213 -5.953 2.114 1.00 0.00 C ATOM 382 O ARG A 27 -6.123 -5.892 1.552 1.00 0.00 O ATOM 383 CB ARG A 27 -9.031 -6.395 0.423 1.00 0.00 C ATOM 384 CG ARG A 27 -9.720 -7.587 1.096 1.00 0.00 C ATOM 385 CD ARG A 27 -10.907 -7.138 1.952 1.00 0.00 C ATOM 386 NE ARG A 27 -11.845 -6.324 1.171 1.00 0.00 N ATOM 387 CZ ARG A 27 -13.176 -6.428 1.214 1.00 0.00 C ATOM 388 NH1 ARG A 27 -13.770 -7.325 1.992 1.00 0.00 N ATOM 389 NH2 ARG A 27 -13.917 -5.620 0.461 1.00 0.00 N ATOM 0 H ARG A 27 -8.143 -4.237 -0.272 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.193 -5.225 2.224 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -9.745 -5.883 -0.222 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.227 -6.758 -0.217 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -10.063 -8.288 0.335 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -9.002 -8.120 1.719 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.423 -8.012 2.350 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.547 -6.564 2.806 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.449 -5.623 0.545 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -13.209 -7.950 2.571 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -14.788 -7.389 2.011 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -13.468 -4.930 -0.141 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -14.934 -5.690 0.486 1.00 0.00 H new ATOM 403 N GLY A 28 -7.381 -6.496 3.321 1.00 0.00 N ATOM 404 CA GLY A 28 -6.310 -7.115 4.088 1.00 0.00 C ATOM 405 C GLY A 28 -6.582 -8.600 4.309 1.00 0.00 C ATOM 406 O GLY A 28 -7.477 -9.172 3.690 1.00 0.00 O ATOM 0 H GLY A 28 -8.283 -6.516 3.797 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.363 -6.989 3.563 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.210 -6.613 5.050 1.00 0.00 H new ATOM 410 N ASP A 29 -5.810 -9.231 5.198 1.00 0.00 N ATOM 411 CA ASP A 29 -5.914 -10.659 5.457 1.00 0.00 C ATOM 412 C ASP A 29 -6.975 -10.983 6.516 1.00 0.00 C ATOM 413 O ASP A 29 -7.410 -12.130 6.623 1.00 0.00 O ATOM 414 CB ASP A 29 -4.543 -11.170 5.890 1.00 0.00 C ATOM 415 CG ASP A 29 -4.507 -12.694 5.998 1.00 0.00 C ATOM 416 OD1 ASP A 29 -4.675 -13.351 4.944 1.00 0.00 O ATOM 417 OD2 ASP A 29 -4.315 -13.192 7.129 1.00 0.00 O ATOM 0 H ASP A 29 -5.097 -8.761 5.756 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.233 -11.159 4.543 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.790 -10.840 5.174 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.281 -10.732 6.853 1.00 0.00 H new ATOM 422 N VAL A 30 -7.394 -9.979 7.295 1.00 0.00 N ATOM 423 CA VAL A 30 -8.380 -10.159 8.358 1.00 0.00 C ATOM 424 C VAL A 30 -9.497 -9.120 8.248 1.00 0.00 C ATOM 425 O VAL A 30 -10.565 -9.283 8.840 1.00 0.00 O ATOM 426 CB VAL A 30 -7.664 -10.072 9.715 1.00 0.00 C ATOM 427 CG1 VAL A 30 -8.637 -10.293 10.876 1.00 0.00 C ATOM 428 CG2 VAL A 30 -6.569 -11.136 9.817 1.00 0.00 C ATOM 0 H VAL A 30 -7.057 -9.021 7.203 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.848 -11.139 8.263 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.234 -9.073 9.780 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.098 -10.225 11.821 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.416 -9.532 10.847 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.091 -11.280 10.788 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.074 -11.057 10.785 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.013 -12.126 9.716 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.838 -10.983 9.023 1.00 0.00 H new ATOM 438 N GLY A 31 -9.263 -8.047 7.494 1.00 0.00 N ATOM 439 CA GLY A 31 -10.216 -6.960 7.315 1.00 0.00 C ATOM 440 C GLY A 31 -9.597 -5.877 6.443 1.00 0.00 C ATOM 441 O GLY A 31 -8.455 -6.017 6.010 1.00 0.00 O ATOM 0 H GLY A 31 -8.391 -7.909 6.983 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.129 -7.336 6.853 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.496 -6.545 8.283 1.00 0.00 H new ATOM 445 N CYS A 32 -10.333 -4.795 6.176 1.00 0.00 N ATOM 446 CA CYS A 32 -9.810 -3.721 5.345 1.00 0.00 C ATOM 447 C CYS A 32 -8.891 -2.806 6.152 1.00 0.00 C ATOM 448 O CYS A 32 -9.146 -2.525 7.320 1.00 0.00 O ATOM 449 CB CYS A 32 -10.954 -2.957 4.676 1.00 0.00 C ATOM 450 SG CYS A 32 -11.836 -3.972 3.464 1.00 0.00 S ATOM 0 H CYS A 32 -11.281 -4.645 6.521 1.00 0.00 H new ATOM 0 HA CYS A 32 -9.203 -4.154 4.550 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -11.654 -2.613 5.438 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -10.557 -2.069 4.184 1.00 0.00 H new ATOM 455 N VAL A 33 -7.818 -2.348 5.503 1.00 0.00 N ATOM 456 CA VAL A 33 -6.784 -1.541 6.138 1.00 0.00 C ATOM 457 C VAL A 33 -6.226 -0.509 5.161 1.00 0.00 C ATOM 458 O VAL A 33 -6.499 -0.563 3.963 1.00 0.00 O ATOM 459 CB VAL A 33 -5.648 -2.443 6.644 1.00 0.00 C ATOM 460 CG1 VAL A 33 -6.148 -3.450 7.680 1.00 0.00 C ATOM 461 CG2 VAL A 33 -4.990 -3.201 5.493 1.00 0.00 C ATOM 0 H VAL A 33 -7.645 -2.530 4.515 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.231 -1.015 6.982 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.914 -1.787 7.112 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.317 -4.071 8.015 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.569 -2.917 8.532 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.915 -4.082 7.232 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.190 -3.831 5.882 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.733 -3.824 4.996 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.576 -2.490 4.778 1.00 0.00 H new ATOM 471 N ARG A 34 -5.436 0.432 5.683 1.00 0.00 N ATOM 472 CA ARG A 34 -4.741 1.450 4.904 1.00 0.00 C ATOM 473 C ARG A 34 -3.334 1.604 5.471 1.00 0.00 C ATOM 474 O ARG A 34 -3.141 1.385 6.660 1.00 0.00 O ATOM 475 CB ARG A 34 -5.521 2.766 4.938 1.00 0.00 C ATOM 476 CG ARG A 34 -5.689 3.290 6.367 1.00 0.00 C ATOM 477 CD ARG A 34 -6.519 4.573 6.364 1.00 0.00 C ATOM 478 NE ARG A 34 -6.734 5.059 7.732 1.00 0.00 N ATOM 479 CZ ARG A 34 -7.405 6.172 8.036 1.00 0.00 C ATOM 480 NH1 ARG A 34 -7.940 6.923 7.074 1.00 0.00 N ATOM 481 NH2 ARG A 34 -7.541 6.541 9.306 1.00 0.00 N ATOM 0 H ARG A 34 -5.260 0.506 6.685 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.669 1.154 3.858 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.002 3.512 4.336 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.502 2.619 4.487 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.176 2.535 6.984 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.711 3.482 6.809 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.011 5.338 5.777 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.480 4.388 5.884 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.346 4.511 8.500 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.838 6.649 6.097 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.451 7.772 7.315 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.132 5.973 10.049 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.054 7.392 9.538 1.00 0.00 H new ATOM 495 N CYS A 35 -2.363 1.977 4.638 1.00 0.00 N ATOM 496 CA CYS A 35 -0.961 2.046 5.026 1.00 0.00 C ATOM 497 C CYS A 35 -0.355 3.409 4.675 1.00 0.00 C ATOM 498 O CYS A 35 -1.068 4.322 4.261 1.00 0.00 O ATOM 499 CB CYS A 35 -0.201 0.925 4.324 1.00 0.00 C ATOM 500 SG CYS A 35 -0.851 -0.757 4.531 1.00 0.00 S ATOM 0 H CYS A 35 -2.532 2.241 3.667 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.883 1.925 6.106 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.172 1.150 3.258 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.829 0.938 4.680 1.00 0.00 H new ATOM 505 N SER A 36 0.968 3.550 4.838 1.00 0.00 N ATOM 506 CA SER A 36 1.661 4.814 4.654 1.00 0.00 C ATOM 507 C SER A 36 2.511 4.873 3.384 1.00 0.00 C ATOM 508 O SER A 36 2.685 5.951 2.822 1.00 0.00 O ATOM 509 CB SER A 36 2.550 5.034 5.876 1.00 0.00 C ATOM 510 OG SER A 36 1.756 5.250 7.024 1.00 0.00 O ATOM 0 H SER A 36 1.583 2.780 5.103 1.00 0.00 H new ATOM 0 HA SER A 36 0.909 5.596 4.544 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.193 4.167 6.028 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.203 5.891 5.710 1.00 0.00 H new ATOM 0 HG SER A 36 2.336 5.388 7.802 1.00 0.00 H new ATOM 516 N ASN A 37 3.044 3.743 2.916 1.00 0.00 N ATOM 517 CA ASN A 37 3.918 3.720 1.751 1.00 0.00 C ATOM 518 C ASN A 37 3.852 2.347 1.081 1.00 0.00 C ATOM 519 O ASN A 37 3.113 1.473 1.538 1.00 0.00 O ATOM 520 CB ASN A 37 5.341 4.084 2.199 1.00 0.00 C ATOM 521 CG ASN A 37 6.254 4.466 1.041 1.00 0.00 C ATOM 522 OD1 ASN A 37 5.805 4.687 -0.079 1.00 0.00 O ATOM 523 ND2 ASN A 37 7.555 4.547 1.306 1.00 0.00 N ATOM 0 H ASN A 37 2.881 2.827 3.333 1.00 0.00 H new ATOM 0 HA ASN A 37 3.596 4.452 1.010 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.292 4.914 2.904 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.775 3.238 2.732 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.211 4.799 0.567 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.896 4.357 2.248 1.00 0.00 H new ATOM 530 N ALA A 38 4.613 2.139 0.000 1.00 0.00 N ATOM 531 CA ALA A 38 4.584 0.886 -0.739 1.00 0.00 C ATOM 532 C ALA A 38 5.902 0.606 -1.460 1.00 0.00 C ATOM 533 O ALA A 38 6.764 1.476 -1.576 1.00 0.00 O ATOM 534 CB ALA A 38 3.463 0.955 -1.773 1.00 0.00 C ATOM 0 H ALA A 38 5.258 2.832 -0.379 1.00 0.00 H new ATOM 0 HA ALA A 38 4.419 0.080 -0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.429 0.022 -2.335 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.510 1.109 -1.267 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.649 1.784 -2.456 1.00 0.00 H new ATOM 540 N GLN A 39 6.032 -0.627 -1.946 1.00 0.00 N ATOM 541 CA GLN A 39 7.131 -1.082 -2.784 1.00 0.00 C ATOM 542 C GLN A 39 6.644 -2.251 -3.642 1.00 0.00 C ATOM 543 O GLN A 39 5.568 -2.792 -3.396 1.00 0.00 O ATOM 544 CB GLN A 39 8.330 -1.505 -1.926 1.00 0.00 C ATOM 545 CG GLN A 39 7.984 -2.667 -0.990 1.00 0.00 C ATOM 546 CD GLN A 39 9.232 -3.201 -0.298 1.00 0.00 C ATOM 547 OE1 GLN A 39 9.850 -2.398 0.565 1.00 0.00 O flip ATOM 548 NE2 GLN A 39 9.644 -4.333 -0.536 1.00 0.00 N flip ATOM 0 H GLN A 39 5.348 -1.360 -1.758 1.00 0.00 H new ATOM 0 HA GLN A 39 7.459 -0.266 -3.428 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.156 -1.796 -2.575 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.672 -0.654 -1.337 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.264 -2.335 -0.243 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.508 -3.467 -1.558 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.149 -4.926 -1.202 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.481 -4.680 -0.067 1.00 0.00 H new ATOM 557 N CYS A 40 7.429 -2.647 -4.646 1.00 0.00 N ATOM 558 CA CYS A 40 7.072 -3.791 -5.471 1.00 0.00 C ATOM 559 C CYS A 40 7.937 -4.995 -5.103 1.00 0.00 C ATOM 560 O CYS A 40 9.103 -4.843 -4.742 1.00 0.00 O ATOM 561 CB CYS A 40 7.138 -3.438 -6.959 1.00 0.00 C ATOM 562 SG CYS A 40 6.154 -1.980 -7.397 1.00 0.00 S ATOM 0 H CYS A 40 8.307 -2.194 -4.902 1.00 0.00 H new ATOM 0 HA CYS A 40 6.037 -4.068 -5.272 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.177 -3.263 -7.238 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.791 -4.290 -7.543 1.00 0.00 H new ATOM 567 N THR A 41 7.349 -6.190 -5.200 1.00 0.00 N ATOM 568 CA THR A 41 7.985 -7.435 -4.787 1.00 0.00 C ATOM 569 C THR A 41 7.829 -8.511 -5.859 1.00 0.00 C ATOM 570 O THR A 41 7.219 -8.278 -6.904 1.00 0.00 O ATOM 571 CB THR A 41 7.372 -7.908 -3.467 1.00 0.00 C ATOM 572 OG1 THR A 41 5.981 -8.070 -3.629 1.00 0.00 O ATOM 573 CG2 THR A 41 7.631 -6.901 -2.350 1.00 0.00 C ATOM 0 H THR A 41 6.408 -6.317 -5.572 1.00 0.00 H new ATOM 0 HA THR A 41 9.051 -7.254 -4.648 1.00 0.00 H new ATOM 0 HB THR A 41 7.835 -8.857 -3.194 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.511 -7.610 -2.902 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.185 -7.262 -1.424 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.705 -6.779 -2.212 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.188 -5.941 -2.616 1.00 0.00 H new ATOM 581 N GLY A 42 8.384 -9.697 -5.589 1.00 0.00 N ATOM 582 CA GLY A 42 8.360 -10.818 -6.520 1.00 0.00 C ATOM 583 C GLY A 42 9.700 -10.959 -7.239 1.00 0.00 C ATOM 584 O GLY A 42 10.604 -10.145 -7.053 1.00 0.00 O ATOM 0 H GLY A 42 8.864 -9.902 -4.713 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.133 -11.738 -5.981 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.564 -10.672 -7.251 1.00 0.00 H new ATOM 588 N PHE A 43 9.826 -11.998 -8.064 1.00 0.00 N ATOM 589 CA PHE A 43 11.062 -12.293 -8.773 1.00 0.00 C ATOM 590 C PHE A 43 11.372 -11.248 -9.849 1.00 0.00 C ATOM 591 O PHE A 43 12.512 -11.153 -10.300 1.00 0.00 O ATOM 592 CB PHE A 43 10.935 -13.688 -9.388 1.00 0.00 C ATOM 593 CG PHE A 43 12.124 -14.114 -10.221 1.00 0.00 C ATOM 594 CD1 PHE A 43 13.393 -14.226 -9.633 1.00 0.00 C ATOM 595 CD2 PHE A 43 11.961 -14.395 -11.586 1.00 0.00 C ATOM 596 CE1 PHE A 43 14.495 -14.609 -10.412 1.00 0.00 C ATOM 597 CE2 PHE A 43 13.063 -14.779 -12.363 1.00 0.00 C ATOM 598 CZ PHE A 43 14.330 -14.882 -11.775 1.00 0.00 C ATOM 0 H PHE A 43 9.071 -12.657 -8.257 1.00 0.00 H new ATOM 0 HA PHE A 43 11.894 -12.262 -8.069 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.789 -14.413 -8.587 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.041 -13.717 -10.011 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.521 -14.017 -8.581 1.00 0.00 H new ATOM 0 HD2 PHE A 43 10.984 -14.315 -12.039 1.00 0.00 H new ATOM 0 HE1 PHE A 43 15.472 -14.693 -9.960 1.00 0.00 H new ATOM 0 HE2 PHE A 43 12.935 -14.995 -13.413 1.00 0.00 H new ATOM 0 HZ PHE A 43 15.181 -15.172 -12.374 1.00 0.00 H new ATOM 608 N LEU A 44 10.369 -10.464 -10.258 1.00 0.00 N ATOM 609 CA LEU A 44 10.521 -9.457 -11.300 1.00 0.00 C ATOM 610 C LEU A 44 9.853 -8.136 -10.911 1.00 0.00 C ATOM 611 O LEU A 44 9.674 -7.267 -11.762 1.00 0.00 O ATOM 612 CB LEU A 44 9.949 -9.995 -12.620 1.00 0.00 C ATOM 613 CG LEU A 44 10.739 -11.195 -13.159 1.00 0.00 C ATOM 614 CD1 LEU A 44 10.017 -11.780 -14.368 1.00 0.00 C ATOM 615 CD2 LEU A 44 12.145 -10.785 -13.595 1.00 0.00 C ATOM 0 H LEU A 44 9.427 -10.515 -9.870 1.00 0.00 H new ATOM 0 HA LEU A 44 11.583 -9.250 -11.428 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.910 -10.287 -12.469 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.952 -9.199 -13.364 1.00 0.00 H new ATOM 0 HG LEU A 44 10.814 -11.930 -12.358 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.579 -12.632 -14.750 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.019 -12.106 -14.074 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.936 -11.021 -15.146 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.678 -11.658 -13.972 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.077 -10.034 -14.382 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.684 -10.371 -12.743 1.00 0.00 H new ATOM 627 N GLY A 45 9.482 -7.970 -9.637 1.00 0.00 N ATOM 628 CA GLY A 45 8.828 -6.755 -9.163 1.00 0.00 C ATOM 629 C GLY A 45 7.381 -6.659 -9.649 1.00 0.00 C ATOM 630 O GLY A 45 6.796 -5.579 -9.625 1.00 0.00 O ATOM 0 H GLY A 45 9.628 -8.673 -8.912 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.847 -6.734 -8.073 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.385 -5.884 -9.508 1.00 0.00 H new ATOM 634 N THR A 46 6.804 -7.779 -10.089 1.00 0.00 N ATOM 635 CA THR A 46 5.476 -7.821 -10.683 1.00 0.00 C ATOM 636 C THR A 46 4.356 -7.881 -9.641 1.00 0.00 C ATOM 637 O THR A 46 3.198 -8.099 -10.001 1.00 0.00 O ATOM 638 CB THR A 46 5.382 -8.997 -11.656 1.00 0.00 C ATOM 639 OG1 THR A 46 5.773 -10.182 -11.000 1.00 0.00 O ATOM 640 CG2 THR A 46 6.301 -8.771 -12.854 1.00 0.00 C ATOM 0 H THR A 46 7.256 -8.692 -10.040 1.00 0.00 H new ATOM 0 HA THR A 46 5.333 -6.887 -11.226 1.00 0.00 H new ATOM 0 HB THR A 46 4.352 -9.081 -12.003 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.711 -10.936 -11.623 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.223 -9.617 -13.537 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.006 -7.858 -13.371 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.331 -8.677 -12.510 1.00 0.00 H new ATOM 648 N THR A 47 4.680 -7.693 -8.358 1.00 0.00 N ATOM 649 CA THR A 47 3.690 -7.714 -7.288 1.00 0.00 C ATOM 650 C THR A 47 3.779 -6.425 -6.473 1.00 0.00 C ATOM 651 O THR A 47 4.847 -5.828 -6.372 1.00 0.00 O ATOM 652 CB THR A 47 3.901 -8.957 -6.418 1.00 0.00 C ATOM 653 OG1 THR A 47 3.828 -10.116 -7.224 1.00 0.00 O ATOM 654 CG2 THR A 47 2.838 -9.067 -5.327 1.00 0.00 C ATOM 0 H THR A 47 5.633 -7.523 -8.037 1.00 0.00 H new ATOM 0 HA THR A 47 2.686 -7.768 -7.710 1.00 0.00 H new ATOM 0 HB THR A 47 4.881 -8.868 -5.949 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.965 -10.911 -6.667 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.020 -9.961 -4.730 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.883 -8.187 -4.685 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.851 -9.132 -5.786 1.00 0.00 H new ATOM 662 N CYS A 48 2.656 -5.996 -5.892 1.00 0.00 N ATOM 663 CA CYS A 48 2.588 -4.807 -5.058 1.00 0.00 C ATOM 664 C CYS A 48 2.544 -5.202 -3.581 1.00 0.00 C ATOM 665 O CYS A 48 1.894 -6.189 -3.226 1.00 0.00 O ATOM 666 CB CYS A 48 1.356 -3.992 -5.458 1.00 0.00 C ATOM 667 SG CYS A 48 1.008 -2.551 -4.413 1.00 0.00 S ATOM 0 H CYS A 48 1.761 -6.475 -5.992 1.00 0.00 H new ATOM 0 HA CYS A 48 3.477 -4.193 -5.206 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.483 -3.653 -6.486 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.486 -4.649 -5.444 1.00 0.00 H new ATOM 672 N THR A 49 3.225 -4.437 -2.727 1.00 0.00 N ATOM 673 CA THR A 49 3.232 -4.657 -1.285 1.00 0.00 C ATOM 674 C THR A 49 3.262 -3.312 -0.558 1.00 0.00 C ATOM 675 O THR A 49 3.850 -2.352 -1.051 1.00 0.00 O ATOM 676 CB THR A 49 4.441 -5.518 -0.905 1.00 0.00 C ATOM 677 OG1 THR A 49 4.360 -6.765 -1.559 1.00 0.00 O ATOM 678 CG2 THR A 49 4.491 -5.785 0.595 1.00 0.00 C ATOM 0 H THR A 49 3.791 -3.641 -3.022 1.00 0.00 H new ATOM 0 HA THR A 49 2.326 -5.185 -0.986 1.00 0.00 H new ATOM 0 HB THR A 49 5.335 -4.971 -1.204 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.927 -7.416 -1.094 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.362 -6.399 0.827 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.561 -4.838 1.131 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.586 -6.309 0.902 1.00 0.00 H new ATOM 686 N CYS A 50 2.629 -3.245 0.618 1.00 0.00 N ATOM 687 CA CYS A 50 2.537 -2.007 1.379 1.00 0.00 C ATOM 688 C CYS A 50 3.547 -1.979 2.526 1.00 0.00 C ATOM 689 O CYS A 50 4.107 -3.009 2.900 1.00 0.00 O ATOM 690 CB CYS A 50 1.108 -1.824 1.891 1.00 0.00 C ATOM 691 SG CYS A 50 -0.172 -1.849 0.608 1.00 0.00 S ATOM 0 H CYS A 50 2.172 -4.042 1.061 1.00 0.00 H new ATOM 0 HA CYS A 50 2.783 -1.174 0.721 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.893 -2.611 2.614 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.048 -0.876 2.425 1.00 0.00 H new ATOM 696 N ILE A 51 3.772 -0.783 3.079 1.00 0.00 N ATOM 697 CA ILE A 51 4.733 -0.546 4.148 1.00 0.00 C ATOM 698 C ILE A 51 3.994 -0.182 5.429 1.00 0.00 C ATOM 699 O ILE A 51 2.971 0.493 5.386 1.00 0.00 O ATOM 700 CB ILE A 51 5.677 0.582 3.719 1.00 0.00 C ATOM 701 CG1 ILE A 51 6.424 0.246 2.423 1.00 0.00 C ATOM 702 CG2 ILE A 51 6.675 0.925 4.823 1.00 0.00 C ATOM 703 CD1 ILE A 51 7.350 -0.959 2.560 1.00 0.00 C ATOM 0 H ILE A 51 3.279 0.061 2.787 1.00 0.00 H new ATOM 0 HA ILE A 51 5.318 -1.445 4.339 1.00 0.00 H new ATOM 0 HB ILE A 51 5.051 1.454 3.531 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.699 0.051 1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.008 1.112 2.113 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.329 1.729 4.485 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.136 1.246 5.714 1.00 0.00 H new ATOM 0 HG23 ILE A 51 7.273 0.045 5.059 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.849 -1.145 1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.097 -0.759 3.328 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.767 -1.836 2.841 1.00 0.00 H new ATOM 715 N ASN A 52 4.515 -0.632 6.577 1.00 0.00 N ATOM 716 CA ASN A 52 3.903 -0.381 7.873 1.00 0.00 C ATOM 717 C ASN A 52 4.086 1.086 8.284 1.00 0.00 C ATOM 718 O ASN A 52 5.014 1.744 7.817 1.00 0.00 O ATOM 719 CB ASN A 52 4.522 -1.328 8.907 1.00 0.00 C ATOM 720 CG ASN A 52 4.201 -2.791 8.632 1.00 0.00 C ATOM 721 OD1 ASN A 52 3.391 -3.113 7.765 1.00 0.00 O ATOM 722 ND2 ASN A 52 4.838 -3.691 9.372 1.00 0.00 N ATOM 0 H ASN A 52 5.374 -1.180 6.626 1.00 0.00 H new ATOM 0 HA ASN A 52 2.831 -0.569 7.814 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.604 -1.193 8.915 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.160 -1.061 9.900 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.661 -4.685 9.230 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.504 -3.388 10.083 1.00 0.00 H new ATOM 729 N PRO A 53 3.211 1.609 9.158 1.00 0.00 N ATOM 730 CA PRO A 53 2.070 0.925 9.749 1.00 0.00 C ATOM 731 C PRO A 53 0.932 0.769 8.745 1.00 0.00 C ATOM 732 O PRO A 53 0.929 1.404 7.692 1.00 0.00 O ATOM 733 CB PRO A 53 1.638 1.823 10.911 1.00 0.00 C ATOM 734 CG PRO A 53 2.003 3.220 10.411 1.00 0.00 C ATOM 735 CD PRO A 53 3.300 2.972 9.645 1.00 0.00 C ATOM 0 HA PRO A 53 2.328 -0.084 10.071 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.572 1.733 11.117 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.163 1.573 11.833 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.227 3.636 9.769 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.146 3.920 11.234 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.409 3.676 8.820 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.168 3.101 10.292 1.00 0.00 H new ATOM 743 N CYS A 54 -0.035 -0.085 9.084 1.00 0.00 N ATOM 744 CA CYS A 54 -1.209 -0.336 8.262 1.00 0.00 C ATOM 745 C CYS A 54 -2.455 -0.430 9.142 1.00 0.00 C ATOM 746 O CYS A 54 -3.011 -1.519 9.304 1.00 0.00 O ATOM 747 CB CYS A 54 -1.014 -1.626 7.466 1.00 0.00 C ATOM 748 SG CYS A 54 0.181 -1.554 6.104 1.00 0.00 S ATOM 0 H CYS A 54 -0.020 -0.626 9.949 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.343 0.490 7.564 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -0.701 -2.410 8.156 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.979 -1.927 7.059 1.00 0.00 H new ATOM 753 N PRO A 55 -2.907 0.690 9.722 1.00 0.00 N ATOM 754 CA PRO A 55 -4.093 0.744 10.563 1.00 0.00 C ATOM 755 C PRO A 55 -5.357 0.370 9.785 1.00 0.00 C ATOM 756 O PRO A 55 -5.368 0.365 8.556 1.00 0.00 O ATOM 757 CB PRO A 55 -4.163 2.184 11.076 1.00 0.00 C ATOM 758 CG PRO A 55 -3.421 2.971 10.001 1.00 0.00 C ATOM 759 CD PRO A 55 -2.311 2.007 9.600 1.00 0.00 C ATOM 0 HA PRO A 55 -4.032 0.026 11.381 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.193 2.523 11.185 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.688 2.288 12.052 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.068 3.219 9.159 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.024 3.910 10.386 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.971 2.195 8.582 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.442 2.111 10.250 1.00 0.00 H new ATOM 767 N ARG A 56 -6.434 0.054 10.509 1.00 0.00 N ATOM 768 CA ARG A 56 -7.687 -0.388 9.910 1.00 0.00 C ATOM 769 C ARG A 56 -8.466 0.776 9.306 1.00 0.00 C ATOM 770 O ARG A 56 -8.218 1.938 9.630 1.00 0.00 O ATOM 771 CB ARG A 56 -8.530 -1.126 10.951 1.00 0.00 C ATOM 772 CG ARG A 56 -7.813 -2.385 11.446 1.00 0.00 C ATOM 773 CD ARG A 56 -8.696 -3.151 12.430 1.00 0.00 C ATOM 774 NE ARG A 56 -8.981 -2.357 13.639 1.00 0.00 N ATOM 775 CZ ARG A 56 -8.178 -2.291 14.704 1.00 0.00 C ATOM 776 NH1 ARG A 56 -7.028 -2.958 14.738 1.00 0.00 N ATOM 777 NH2 ARG A 56 -8.528 -1.550 15.753 1.00 0.00 N ATOM 0 H ARG A 56 -6.457 0.099 11.528 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.450 -1.072 9.095 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.735 -0.465 11.793 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.493 -1.398 10.518 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.562 -3.024 10.600 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.874 -2.111 11.928 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.633 -3.422 11.943 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.203 -4.081 12.713 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.849 -1.822 13.664 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.747 -3.531 13.942 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.427 -2.896 15.560 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.408 -1.034 15.742 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.916 -1.498 16.568 1.00 0.00 H new ATOM 791 N CYS A 57 -9.415 0.449 8.426 1.00 0.00 N ATOM 792 CA CYS A 57 -10.264 1.416 7.751 1.00 0.00 C ATOM 793 C CYS A 57 -11.655 0.825 7.525 1.00 0.00 C ATOM 794 O CYS A 57 -11.731 -0.236 6.867 1.00 0.00 O ATOM 795 CB CYS A 57 -9.611 1.809 6.425 1.00 0.00 C ATOM 796 SG CYS A 57 -10.593 2.944 5.410 1.00 0.00 S ATOM 797 OXT CYS A 57 -12.629 1.439 8.011 1.00 0.00 O ATOM 0 H CYS A 57 -9.614 -0.516 8.162 1.00 0.00 H new ATOM 0 HA CYS A 57 -10.377 2.307 8.368 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.646 2.271 6.633 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -9.415 0.905 5.849 1.00 0.00 H new