USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 473 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 Single : A1073 LYS NZ :NH3+ 160:sc= -0.0125 (180deg=-0.481) USER MOD Single : A1074 THR OG1 : rot 155:sc= 2.42 USER MOD Single : A1076 TYR OH : rot 180:sc= 0 USER MOD Single : A1078 CYS SG : rot -60:sc= -0.311 USER MOD Single : A1079 GLN : amide:sc= -0.0532 X(o=-0.053,f=0) USER MOD Single : A1082 ASN : amide:sc= 0.481 K(o=0.48,f=-4.7!) USER MOD Single : A1087 THR OG1 : rot 180:sc= -0.27 USER MOD Single : A1097 THR OG1 : rot -143:sc= -2.83! USER MOD Single : A1102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1108 HIS : no HE2:sc= -1.08 X(o=-1.1,f=-0.81) USER MOD Single : A1112 GLN : amide:sc= -0.182 K(o=-0.18,f=-1.9) USER MOD Single : A1116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1122 SER OG : rot 180:sc= 0.0683 USER MOD Single : A1125 HIS : no HE2:sc= -0.119 X(o=-0.12,f=-0.56) USER MOD Single : A1128 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A1069 -1.789 -0.713 -0.548 1.00 0.00 N ATOM 2 CA VAL A1069 -0.957 -0.346 -1.714 1.00 0.00 C ATOM 3 C VAL A1069 -1.511 0.909 -2.373 1.00 0.00 C ATOM 4 O VAL A1069 -2.675 0.953 -2.774 1.00 0.00 O ATOM 5 CB VAL A1069 -0.906 -1.488 -2.757 1.00 0.00 C ATOM 6 CG1 VAL A1069 -0.011 -1.114 -3.927 1.00 0.00 C ATOM 7 CG2 VAL A1069 -0.428 -2.780 -2.115 1.00 0.00 C ATOM 0 HA VAL A1069 0.055 -0.163 -1.353 1.00 0.00 H new ATOM 0 HB VAL A1069 -1.916 -1.643 -3.136 1.00 0.00 H new ATOM 0 HG11 VAL A1069 0.009 -1.933 -4.646 1.00 0.00 H new ATOM 0 HG12 VAL A1069 -0.398 -0.216 -4.409 1.00 0.00 H new ATOM 0 HG13 VAL A1069 1.000 -0.924 -3.566 1.00 0.00 H new ATOM 0 HG21 VAL A1069 -0.399 -3.570 -2.865 1.00 0.00 H new ATOM 0 HG22 VAL A1069 0.571 -2.634 -1.703 1.00 0.00 H new ATOM 0 HG23 VAL A1069 -1.112 -3.064 -1.315 1.00 0.00 H new ATOM 19 N ARG A1070 -0.679 1.935 -2.473 1.00 0.00 N ATOM 20 CA ARG A1070 -1.086 3.193 -3.078 1.00 0.00 C ATOM 21 C ARG A1070 -0.107 3.581 -4.175 1.00 0.00 C ATOM 22 O ARG A1070 1.099 3.674 -3.940 1.00 0.00 O ATOM 23 CB ARG A1070 -1.147 4.298 -2.021 1.00 0.00 C ATOM 24 CG ARG A1070 -1.768 5.592 -2.522 1.00 0.00 C ATOM 25 CD ARG A1070 -1.620 6.715 -1.507 1.00 0.00 C ATOM 26 NE ARG A1070 -2.191 6.372 -0.205 1.00 0.00 N ATOM 27 CZ ARG A1070 -1.917 7.022 0.923 1.00 0.00 C ATOM 28 NH1 ARG A1070 -1.104 8.070 0.907 1.00 0.00 N ATOM 29 NH2 ARG A1070 -2.468 6.630 2.065 1.00 0.00 N ATOM 0 H ARG A1070 0.285 1.920 -2.141 1.00 0.00 H new ATOM 0 HA ARG A1070 -2.078 3.067 -3.511 1.00 0.00 H new ATOM 0 HB2 ARG A1070 -1.719 3.939 -1.166 1.00 0.00 H new ATOM 0 HB3 ARG A1070 -0.137 4.504 -1.665 1.00 0.00 H new ATOM 0 HG2 ARG A1070 -1.295 5.884 -3.460 1.00 0.00 H new ATOM 0 HG3 ARG A1070 -2.825 5.430 -2.735 1.00 0.00 H new ATOM 0 HD2 ARG A1070 -0.563 6.953 -1.385 1.00 0.00 H new ATOM 0 HD3 ARG A1070 -2.107 7.612 -1.889 1.00 0.00 H new ATOM 0 HE ARG A1070 -2.839 5.586 -0.159 1.00 0.00 H new ATOM 0 HH11 ARG A1070 -0.688 8.379 0.029 1.00 0.00 H new ATOM 0 HH12 ARG A1070 -0.895 8.567 1.773 1.00 0.00 H new ATOM 0 HH21 ARG A1070 -3.101 5.831 2.078 1.00 0.00 H new ATOM 0 HH22 ARG A1070 -2.258 7.128 2.930 1.00 0.00 H new ATOM 43 N ARG A1071 -0.620 3.800 -5.373 1.00 0.00 N ATOM 44 CA ARG A1071 0.205 4.214 -6.484 1.00 0.00 C ATOM 45 C ARG A1071 -0.374 5.474 -7.087 1.00 0.00 C ATOM 46 O ARG A1071 -1.486 5.868 -6.745 1.00 0.00 O ATOM 47 CB ARG A1071 0.301 3.113 -7.544 1.00 0.00 C ATOM 48 CG ARG A1071 1.040 1.874 -7.060 1.00 0.00 C ATOM 49 CD ARG A1071 1.381 0.923 -8.199 1.00 0.00 C ATOM 50 NE ARG A1071 0.200 0.303 -8.790 1.00 0.00 N ATOM 51 CZ ARG A1071 0.241 -0.638 -9.732 1.00 0.00 C ATOM 52 NH1 ARG A1071 1.400 -1.091 -10.198 1.00 0.00 N ATOM 53 NH2 ARG A1071 -0.891 -1.125 -10.206 1.00 0.00 N ATOM 0 H ARG A1071 -1.610 3.696 -5.597 1.00 0.00 H new ATOM 0 HA ARG A1071 1.214 4.409 -6.120 1.00 0.00 H new ATOM 0 HB2 ARG A1071 -0.704 2.829 -7.855 1.00 0.00 H new ATOM 0 HB3 ARG A1071 0.807 3.509 -8.424 1.00 0.00 H new ATOM 0 HG2 ARG A1071 1.957 2.175 -6.554 1.00 0.00 H new ATOM 0 HG3 ARG A1071 0.427 1.352 -6.325 1.00 0.00 H new ATOM 0 HD2 ARG A1071 1.925 1.468 -8.971 1.00 0.00 H new ATOM 0 HD3 ARG A1071 2.048 0.144 -7.829 1.00 0.00 H new ATOM 0 HE ARG A1071 -0.715 0.610 -8.461 1.00 0.00 H new ATOM 0 HH11 ARG A1071 2.277 -0.718 -9.834 1.00 0.00 H new ATOM 0 HH12 ARG A1071 1.413 -1.812 -10.919 1.00 0.00 H new ATOM 0 HH21 ARG A1071 -1.783 -0.780 -9.851 1.00 0.00 H new ATOM 0 HH22 ARG A1071 -0.874 -1.846 -10.927 1.00 0.00 H new ATOM 67 N VAL A1072 0.384 6.114 -7.950 1.00 0.00 N ATOM 68 CA VAL A1072 -0.077 7.300 -8.646 1.00 0.00 C ATOM 69 C VAL A1072 0.355 7.235 -10.109 1.00 0.00 C ATOM 70 O VAL A1072 1.268 6.487 -10.461 1.00 0.00 O ATOM 71 CB VAL A1072 0.473 8.604 -8.017 1.00 0.00 C ATOM 72 CG1 VAL A1072 -0.026 8.781 -6.591 1.00 0.00 C ATOM 73 CG2 VAL A1072 1.988 8.626 -8.055 1.00 0.00 C ATOM 0 H VAL A1072 1.334 5.830 -8.190 1.00 0.00 H new ATOM 0 HA VAL A1072 -1.164 7.321 -8.564 1.00 0.00 H new ATOM 0 HB VAL A1072 0.102 9.439 -8.611 1.00 0.00 H new ATOM 0 HG11 VAL A1072 0.377 9.705 -6.177 1.00 0.00 H new ATOM 0 HG12 VAL A1072 -1.115 8.827 -6.590 1.00 0.00 H new ATOM 0 HG13 VAL A1072 0.302 7.937 -5.983 1.00 0.00 H new ATOM 0 HG21 VAL A1072 2.350 9.552 -7.608 1.00 0.00 H new ATOM 0 HG22 VAL A1072 2.378 7.776 -7.496 1.00 0.00 H new ATOM 0 HG23 VAL A1072 2.327 8.566 -9.089 1.00 0.00 H new ATOM 83 N LYS A1073 -0.296 8.019 -10.947 1.00 0.00 N ATOM 84 CA LYS A1073 0.012 8.067 -12.361 1.00 0.00 C ATOM 85 C LYS A1073 0.096 9.521 -12.787 1.00 0.00 C ATOM 86 O LYS A1073 -0.879 10.265 -12.690 1.00 0.00 O ATOM 87 CB LYS A1073 -1.058 7.325 -13.160 1.00 0.00 C ATOM 88 CG LYS A1073 -0.505 6.530 -14.327 1.00 0.00 C ATOM 89 CD LYS A1073 -0.772 7.208 -15.655 1.00 0.00 C ATOM 90 CE LYS A1073 -0.232 6.371 -16.803 1.00 0.00 C ATOM 91 NZ LYS A1073 -0.704 6.861 -18.125 1.00 0.00 N ATOM 0 H LYS A1073 -1.054 8.641 -10.665 1.00 0.00 H new ATOM 0 HA LYS A1073 0.967 7.578 -12.553 1.00 0.00 H new ATOM 0 HB2 LYS A1073 -1.594 6.650 -12.493 1.00 0.00 H new ATOM 0 HB3 LYS A1073 -1.785 8.046 -13.535 1.00 0.00 H new ATOM 0 HG2 LYS A1073 0.569 6.397 -14.198 1.00 0.00 H new ATOM 0 HG3 LYS A1073 -0.951 5.536 -14.332 1.00 0.00 H new ATOM 0 HD2 LYS A1073 -1.844 7.361 -15.782 1.00 0.00 H new ATOM 0 HD3 LYS A1073 -0.306 8.193 -15.666 1.00 0.00 H new ATOM 0 HE2 LYS A1073 0.858 6.385 -16.780 1.00 0.00 H new ATOM 0 HE3 LYS A1073 -0.540 5.334 -16.671 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 -0.074 6.505 -18.872 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 -1.672 6.520 -18.296 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 -0.697 7.901 -18.133 1.00 0.00 H new ATOM 105 N THR A1074 1.273 9.919 -13.219 1.00 0.00 N ATOM 106 CA THR A1074 1.561 11.309 -13.517 1.00 0.00 C ATOM 107 C THR A1074 0.725 11.826 -14.683 1.00 0.00 C ATOM 108 O THR A1074 0.657 11.202 -15.747 1.00 0.00 O ATOM 109 CB THR A1074 3.051 11.488 -13.837 1.00 0.00 C ATOM 110 OG1 THR A1074 3.397 10.718 -14.989 1.00 0.00 O ATOM 111 CG2 THR A1074 3.904 11.041 -12.660 1.00 0.00 C ATOM 0 H THR A1074 2.060 9.289 -13.374 1.00 0.00 H new ATOM 0 HA THR A1074 1.302 11.889 -12.631 1.00 0.00 H new ATOM 0 HB THR A1074 3.238 12.544 -14.033 1.00 0.00 H new ATOM 0 HG1 THR A1074 4.182 11.113 -15.423 1.00 0.00 H new ATOM 0 HG21 THR A1074 4.958 11.174 -12.903 1.00 0.00 H new ATOM 0 HG22 THR A1074 3.656 11.638 -11.783 1.00 0.00 H new ATOM 0 HG23 THR A1074 3.711 9.989 -12.449 1.00 0.00 H new ATOM 119 N ILE A1075 0.087 12.966 -14.471 1.00 0.00 N ATOM 120 CA ILE A1075 -0.720 13.596 -15.499 1.00 0.00 C ATOM 121 C ILE A1075 -0.018 14.843 -16.023 1.00 0.00 C ATOM 122 O ILE A1075 -0.506 15.505 -16.939 1.00 0.00 O ATOM 123 CB ILE A1075 -2.125 13.973 -14.972 1.00 0.00 C ATOM 124 CG1 ILE A1075 -2.024 15.006 -13.844 1.00 0.00 C ATOM 125 CG2 ILE A1075 -2.855 12.727 -14.485 1.00 0.00 C ATOM 126 CD1 ILE A1075 -3.367 15.486 -13.333 1.00 0.00 C ATOM 0 H ILE A1075 0.114 13.476 -13.588 1.00 0.00 H new ATOM 0 HA ILE A1075 -0.845 12.876 -16.308 1.00 0.00 H new ATOM 0 HB ILE A1075 -2.692 14.417 -15.791 1.00 0.00 H new ATOM 0 HG12 ILE A1075 -1.464 14.572 -13.015 1.00 0.00 H new ATOM 0 HG13 ILE A1075 -1.453 15.864 -14.199 1.00 0.00 H new ATOM 0 HG21 ILE A1075 -3.843 13.005 -14.116 1.00 0.00 H new ATOM 0 HG22 ILE A1075 -2.960 12.022 -15.309 1.00 0.00 H new ATOM 0 HG23 ILE A1075 -2.285 12.262 -13.680 1.00 0.00 H new ATOM 0 HD11 ILE A1075 -3.214 16.214 -12.537 1.00 0.00 H new ATOM 0 HD12 ILE A1075 -3.922 15.951 -14.148 1.00 0.00 H new ATOM 0 HD13 ILE A1075 -3.933 14.639 -12.946 1.00 0.00 H new ATOM 138 N TYR A1076 1.127 15.154 -15.422 1.00 0.00 N ATOM 139 CA TYR A1076 1.940 16.294 -15.828 1.00 0.00 C ATOM 140 C TYR A1076 3.417 15.926 -15.811 1.00 0.00 C ATOM 141 O TYR A1076 3.824 14.984 -15.130 1.00 0.00 O ATOM 142 CB TYR A1076 1.718 17.485 -14.897 1.00 0.00 C ATOM 143 CG TYR A1076 0.415 18.220 -15.108 1.00 0.00 C ATOM 144 CD1 TYR A1076 0.144 18.854 -16.314 1.00 0.00 C ATOM 145 CD2 TYR A1076 -0.528 18.304 -14.094 1.00 0.00 C ATOM 146 CE1 TYR A1076 -1.033 19.549 -16.501 1.00 0.00 C ATOM 147 CE2 TYR A1076 -1.708 18.995 -14.276 1.00 0.00 C ATOM 148 CZ TYR A1076 -1.955 19.615 -15.481 1.00 0.00 C ATOM 149 OH TYR A1076 -3.126 20.317 -15.661 1.00 0.00 O ATOM 0 H TYR A1076 1.516 14.624 -14.642 1.00 0.00 H new ATOM 0 HA TYR A1076 1.639 16.569 -16.839 1.00 0.00 H new ATOM 0 HB2 TYR A1076 1.758 17.134 -13.866 1.00 0.00 H new ATOM 0 HB3 TYR A1076 2.541 18.188 -15.027 1.00 0.00 H new ATOM 0 HD1 TYR A1076 0.865 18.802 -17.117 1.00 0.00 H new ATOM 0 HD2 TYR A1076 -0.335 17.821 -13.147 1.00 0.00 H new ATOM 0 HE1 TYR A1076 -1.230 20.039 -17.443 1.00 0.00 H new ATOM 0 HE2 TYR A1076 -2.434 19.050 -13.478 1.00 0.00 H new ATOM 0 HH TYR A1076 -3.668 20.264 -14.846 1.00 0.00 H new ATOM 159 N ASP A1077 4.204 16.663 -16.581 1.00 0.00 N ATOM 160 CA ASP A1077 5.654 16.527 -16.570 1.00 0.00 C ATOM 161 C ASP A1077 6.245 17.275 -15.381 1.00 0.00 C ATOM 162 O ASP A1077 5.914 18.440 -15.144 1.00 0.00 O ATOM 163 CB ASP A1077 6.249 17.068 -17.878 1.00 0.00 C ATOM 164 CG ASP A1077 7.741 17.329 -17.784 1.00 0.00 C ATOM 165 OD1 ASP A1077 8.522 16.366 -17.816 1.00 0.00 O ATOM 166 OD2 ASP A1077 8.139 18.512 -17.682 1.00 0.00 O ATOM 0 H ASP A1077 3.857 17.370 -17.229 1.00 0.00 H new ATOM 0 HA ASP A1077 5.903 15.470 -16.481 1.00 0.00 H new ATOM 0 HB2 ASP A1077 6.060 16.354 -18.680 1.00 0.00 H new ATOM 0 HB3 ASP A1077 5.740 17.993 -18.148 1.00 0.00 H new ATOM 171 N CYS A1078 7.106 16.605 -14.632 1.00 0.00 N ATOM 172 CA CYS A1078 7.769 17.228 -13.503 1.00 0.00 C ATOM 173 C CYS A1078 9.221 16.775 -13.452 1.00 0.00 C ATOM 174 O CYS A1078 9.541 15.705 -12.930 1.00 0.00 O ATOM 175 CB CYS A1078 7.058 16.899 -12.192 1.00 0.00 C ATOM 176 SG CYS A1078 7.546 17.941 -10.795 1.00 0.00 S ATOM 0 H CYS A1078 7.361 15.630 -14.787 1.00 0.00 H new ATOM 0 HA CYS A1078 7.733 18.310 -13.633 1.00 0.00 H new ATOM 0 HB2 CYS A1078 5.983 16.994 -12.342 1.00 0.00 H new ATOM 0 HB3 CYS A1078 7.254 15.857 -11.938 1.00 0.00 H new ATOM 0 HG CYS A1078 8.822 17.814 -10.584 1.00 0.00 H new ATOM 182 N GLN A1079 10.091 17.576 -14.038 1.00 0.00 N ATOM 183 CA GLN A1079 11.506 17.301 -14.035 1.00 0.00 C ATOM 184 C GLN A1079 12.147 17.955 -12.825 1.00 0.00 C ATOM 185 O GLN A1079 12.245 19.181 -12.736 1.00 0.00 O ATOM 186 CB GLN A1079 12.141 17.777 -15.338 1.00 0.00 C ATOM 187 CG GLN A1079 11.969 16.784 -16.476 1.00 0.00 C ATOM 188 CD GLN A1079 12.131 17.423 -17.837 1.00 0.00 C ATOM 189 OE1 GLN A1079 13.243 17.555 -18.348 1.00 0.00 O ATOM 190 NE2 GLN A1079 11.017 17.783 -18.450 1.00 0.00 N ATOM 0 H GLN A1079 9.832 18.433 -14.527 1.00 0.00 H new ATOM 0 HA GLN A1079 11.671 16.226 -13.967 1.00 0.00 H new ATOM 0 HB2 GLN A1079 11.699 18.731 -15.625 1.00 0.00 H new ATOM 0 HB3 GLN A1079 13.204 17.955 -15.175 1.00 0.00 H new ATOM 0 HG2 GLN A1079 12.699 15.982 -16.366 1.00 0.00 H new ATOM 0 HG3 GLN A1079 10.981 16.328 -16.409 1.00 0.00 H new ATOM 0 HE21 GLN A1079 10.117 17.655 -17.988 1.00 0.00 H new ATOM 0 HE22 GLN A1079 11.058 18.189 -19.385 1.00 0.00 H new ATOM 199 N ALA A1080 12.516 17.097 -11.891 1.00 0.00 N ATOM 200 CA ALA A1080 13.109 17.476 -10.610 1.00 0.00 C ATOM 201 C ALA A1080 14.145 18.585 -10.719 1.00 0.00 C ATOM 202 O ALA A1080 15.039 18.551 -11.571 1.00 0.00 O ATOM 203 CB ALA A1080 13.744 16.258 -9.967 1.00 0.00 C ATOM 0 H ALA A1080 12.411 16.088 -12.000 1.00 0.00 H new ATOM 0 HA ALA A1080 12.297 17.866 -9.997 1.00 0.00 H new ATOM 0 HB1 ALA A1080 14.186 16.540 -9.012 1.00 0.00 H new ATOM 0 HB2 ALA A1080 12.983 15.495 -9.803 1.00 0.00 H new ATOM 0 HB3 ALA A1080 14.519 15.863 -10.623 1.00 0.00 H new ATOM 209 N ASP A1081 14.012 19.561 -9.833 1.00 0.00 N ATOM 210 CA ASP A1081 14.975 20.644 -9.710 1.00 0.00 C ATOM 211 C ASP A1081 16.024 20.275 -8.669 1.00 0.00 C ATOM 212 O ASP A1081 17.193 20.661 -8.768 1.00 0.00 O ATOM 213 CB ASP A1081 14.259 21.935 -9.296 1.00 0.00 C ATOM 214 CG ASP A1081 15.212 23.088 -9.043 1.00 0.00 C ATOM 215 OD1 ASP A1081 15.703 23.225 -7.901 1.00 0.00 O ATOM 216 OD2 ASP A1081 15.454 23.878 -9.979 1.00 0.00 O ATOM 0 H ASP A1081 13.232 19.624 -9.179 1.00 0.00 H new ATOM 0 HA ASP A1081 15.462 20.804 -10.672 1.00 0.00 H new ATOM 0 HB2 ASP A1081 13.554 22.219 -10.077 1.00 0.00 H new ATOM 0 HB3 ASP A1081 13.677 21.748 -8.394 1.00 0.00 H new ATOM 221 N ASN A1082 15.592 19.505 -7.681 1.00 0.00 N ATOM 222 CA ASN A1082 16.450 19.094 -6.579 1.00 0.00 C ATOM 223 C ASN A1082 16.591 17.574 -6.569 1.00 0.00 C ATOM 224 O ASN A1082 15.738 16.864 -7.097 1.00 0.00 O ATOM 225 CB ASN A1082 15.849 19.577 -5.254 1.00 0.00 C ATOM 226 CG ASN A1082 16.782 19.387 -4.077 1.00 0.00 C ATOM 227 OD1 ASN A1082 16.777 18.344 -3.426 1.00 0.00 O ATOM 228 ND2 ASN A1082 17.590 20.395 -3.800 1.00 0.00 N ATOM 0 H ASN A1082 14.638 19.148 -7.620 1.00 0.00 H new ATOM 0 HA ASN A1082 17.438 19.537 -6.706 1.00 0.00 H new ATOM 0 HB2 ASN A1082 15.593 20.633 -5.341 1.00 0.00 H new ATOM 0 HB3 ASN A1082 14.920 19.039 -5.065 1.00 0.00 H new ATOM 0 HD21 ASN A1082 18.243 20.326 -3.020 1.00 0.00 H new ATOM 0 HD22 ASN A1082 17.561 21.243 -4.367 1.00 0.00 H new ATOM 235 N ASP A1083 17.678 17.092 -5.966 1.00 0.00 N ATOM 236 CA ASP A1083 17.985 15.657 -5.918 1.00 0.00 C ATOM 237 C ASP A1083 16.961 14.872 -5.107 1.00 0.00 C ATOM 238 O ASP A1083 16.864 13.655 -5.244 1.00 0.00 O ATOM 239 CB ASP A1083 19.377 15.413 -5.328 1.00 0.00 C ATOM 240 CG ASP A1083 20.498 15.687 -6.308 1.00 0.00 C ATOM 241 OD1 ASP A1083 20.982 16.838 -6.358 1.00 0.00 O ATOM 242 OD2 ASP A1083 20.922 14.749 -7.010 1.00 0.00 O ATOM 0 H ASP A1083 18.369 17.679 -5.499 1.00 0.00 H new ATOM 0 HA ASP A1083 17.952 15.304 -6.949 1.00 0.00 H new ATOM 0 HB2 ASP A1083 19.508 16.046 -4.450 1.00 0.00 H new ATOM 0 HB3 ASP A1083 19.444 14.379 -4.989 1.00 0.00 H new ATOM 247 N ASP A1084 16.220 15.557 -4.243 1.00 0.00 N ATOM 248 CA ASP A1084 15.188 14.894 -3.451 1.00 0.00 C ATOM 249 C ASP A1084 13.875 14.835 -4.209 1.00 0.00 C ATOM 250 O ASP A1084 12.958 14.118 -3.813 1.00 0.00 O ATOM 251 CB ASP A1084 14.972 15.591 -2.106 1.00 0.00 C ATOM 252 CG ASP A1084 15.949 15.124 -1.050 1.00 0.00 C ATOM 253 OD1 ASP A1084 15.940 13.919 -0.716 1.00 0.00 O ATOM 254 OD2 ASP A1084 16.727 15.955 -0.540 1.00 0.00 O ATOM 0 H ASP A1084 16.312 16.559 -4.073 1.00 0.00 H new ATOM 0 HA ASP A1084 15.537 13.879 -3.261 1.00 0.00 H new ATOM 0 HB2 ASP A1084 15.072 16.668 -2.238 1.00 0.00 H new ATOM 0 HB3 ASP A1084 13.954 15.405 -1.763 1.00 0.00 H new ATOM 259 N GLU A1085 13.795 15.588 -5.294 1.00 0.00 N ATOM 260 CA GLU A1085 12.610 15.601 -6.134 1.00 0.00 C ATOM 261 C GLU A1085 12.718 14.497 -7.177 1.00 0.00 C ATOM 262 O GLU A1085 13.821 14.087 -7.539 1.00 0.00 O ATOM 263 CB GLU A1085 12.472 16.956 -6.827 1.00 0.00 C ATOM 264 CG GLU A1085 12.326 18.131 -5.875 1.00 0.00 C ATOM 265 CD GLU A1085 12.425 19.464 -6.591 1.00 0.00 C ATOM 266 OE1 GLU A1085 12.201 19.501 -7.819 1.00 0.00 O ATOM 267 OE2 GLU A1085 12.758 20.471 -5.933 1.00 0.00 O ATOM 0 H GLU A1085 14.543 16.202 -5.615 1.00 0.00 H new ATOM 0 HA GLU A1085 11.729 15.432 -5.514 1.00 0.00 H new ATOM 0 HB2 GLU A1085 13.346 17.120 -7.457 1.00 0.00 H new ATOM 0 HB3 GLU A1085 11.605 16.927 -7.487 1.00 0.00 H new ATOM 0 HG2 GLU A1085 11.365 18.065 -5.364 1.00 0.00 H new ATOM 0 HG3 GLU A1085 13.099 18.074 -5.109 1.00 0.00 H new ATOM 274 N LEU A1086 11.589 14.009 -7.655 1.00 0.00 N ATOM 275 CA LEU A1086 11.606 12.967 -8.663 1.00 0.00 C ATOM 276 C LEU A1086 11.427 13.548 -10.059 1.00 0.00 C ATOM 277 O LEU A1086 10.685 14.505 -10.261 1.00 0.00 O ATOM 278 CB LEU A1086 10.526 11.919 -8.397 1.00 0.00 C ATOM 279 CG LEU A1086 10.475 10.797 -9.434 1.00 0.00 C ATOM 280 CD1 LEU A1086 11.813 10.082 -9.504 1.00 0.00 C ATOM 281 CD2 LEU A1086 9.368 9.817 -9.113 1.00 0.00 C ATOM 0 H LEU A1086 10.659 14.313 -7.366 1.00 0.00 H new ATOM 0 HA LEU A1086 12.581 12.483 -8.608 1.00 0.00 H new ATOM 0 HB2 LEU A1086 10.694 11.482 -7.413 1.00 0.00 H new ATOM 0 HB3 LEU A1086 9.555 12.414 -8.365 1.00 0.00 H new ATOM 0 HG LEU A1086 10.264 11.240 -10.407 1.00 0.00 H new ATOM 0 HD11 LEU A1086 11.762 9.286 -10.247 1.00 0.00 H new ATOM 0 HD12 LEU A1086 12.591 10.792 -9.786 1.00 0.00 H new ATOM 0 HD13 LEU A1086 12.049 9.655 -8.529 1.00 0.00 H new ATOM 0 HD21 LEU A1086 9.351 9.028 -9.865 1.00 0.00 H new ATOM 0 HD22 LEU A1086 9.544 9.379 -8.131 1.00 0.00 H new ATOM 0 HD23 LEU A1086 8.410 10.337 -9.112 1.00 0.00 H new ATOM 293 N THR A1087 12.127 12.961 -11.017 1.00 0.00 N ATOM 294 CA THR A1087 12.015 13.360 -12.404 1.00 0.00 C ATOM 295 C THR A1087 11.132 12.372 -13.153 1.00 0.00 C ATOM 296 O THR A1087 11.419 11.175 -13.192 1.00 0.00 O ATOM 297 CB THR A1087 13.395 13.410 -13.077 1.00 0.00 C ATOM 298 OG1 THR A1087 14.326 14.080 -12.215 1.00 0.00 O ATOM 299 CG2 THR A1087 13.330 14.127 -14.416 1.00 0.00 C ATOM 0 H THR A1087 12.785 12.199 -10.853 1.00 0.00 H new ATOM 0 HA THR A1087 11.573 14.356 -12.435 1.00 0.00 H new ATOM 0 HB THR A1087 13.725 12.387 -13.256 1.00 0.00 H new ATOM 0 HG1 THR A1087 15.206 14.110 -12.645 1.00 0.00 H new ATOM 0 HG21 THR A1087 14.322 14.146 -14.867 1.00 0.00 H new ATOM 0 HG22 THR A1087 12.641 13.602 -15.077 1.00 0.00 H new ATOM 0 HG23 THR A1087 12.981 15.148 -14.265 1.00 0.00 H new ATOM 307 N PHE A1088 10.059 12.874 -13.727 1.00 0.00 N ATOM 308 CA PHE A1088 9.124 12.040 -14.468 1.00 0.00 C ATOM 309 C PHE A1088 8.384 12.870 -15.506 1.00 0.00 C ATOM 310 O PHE A1088 8.403 14.100 -15.455 1.00 0.00 O ATOM 311 CB PHE A1088 8.118 11.381 -13.514 1.00 0.00 C ATOM 312 CG PHE A1088 7.320 12.358 -12.692 1.00 0.00 C ATOM 313 CD1 PHE A1088 6.310 13.112 -13.270 1.00 0.00 C ATOM 314 CD2 PHE A1088 7.586 12.525 -11.345 1.00 0.00 C ATOM 315 CE1 PHE A1088 5.583 14.010 -12.522 1.00 0.00 C ATOM 316 CE2 PHE A1088 6.863 13.427 -10.591 1.00 0.00 C ATOM 317 CZ PHE A1088 5.860 14.170 -11.181 1.00 0.00 C ATOM 0 H PHE A1088 9.808 13.862 -13.697 1.00 0.00 H new ATOM 0 HA PHE A1088 9.690 11.259 -14.976 1.00 0.00 H new ATOM 0 HB2 PHE A1088 7.431 10.766 -14.096 1.00 0.00 H new ATOM 0 HB3 PHE A1088 8.655 10.711 -12.842 1.00 0.00 H new ATOM 0 HD1 PHE A1088 6.091 12.993 -14.321 1.00 0.00 H new ATOM 0 HD2 PHE A1088 8.367 11.944 -10.878 1.00 0.00 H new ATOM 0 HE1 PHE A1088 4.797 14.588 -12.985 1.00 0.00 H new ATOM 0 HE2 PHE A1088 7.082 13.551 -9.541 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.293 14.876 -10.592 1.00 0.00 H new ATOM 327 N ILE A1089 7.718 12.196 -16.429 1.00 0.00 N ATOM 328 CA ILE A1089 6.898 12.871 -17.423 1.00 0.00 C ATOM 329 C ILE A1089 5.482 12.313 -17.389 1.00 0.00 C ATOM 330 O ILE A1089 5.220 11.324 -16.696 1.00 0.00 O ATOM 331 CB ILE A1089 7.467 12.755 -18.863 1.00 0.00 C ATOM 332 CG1 ILE A1089 7.335 11.326 -19.422 1.00 0.00 C ATOM 333 CG2 ILE A1089 8.920 13.215 -18.904 1.00 0.00 C ATOM 334 CD1 ILE A1089 8.178 10.285 -18.715 1.00 0.00 C ATOM 0 H ILE A1089 7.729 11.179 -16.511 1.00 0.00 H new ATOM 0 HA ILE A1089 6.898 13.930 -17.164 1.00 0.00 H new ATOM 0 HB ILE A1089 6.873 13.409 -19.501 1.00 0.00 H new ATOM 0 HG12 ILE A1089 6.289 11.025 -19.366 1.00 0.00 H new ATOM 0 HG13 ILE A1089 7.607 11.338 -20.477 1.00 0.00 H new ATOM 0 HG21 ILE A1089 9.301 13.126 -19.921 1.00 0.00 H new ATOM 0 HG22 ILE A1089 8.982 14.255 -18.583 1.00 0.00 H new ATOM 0 HG23 ILE A1089 9.517 12.593 -18.237 1.00 0.00 H new ATOM 0 HD11 ILE A1089 8.018 9.311 -19.179 1.00 0.00 H new ATOM 0 HD12 ILE A1089 9.231 10.556 -18.793 1.00 0.00 H new ATOM 0 HD13 ILE A1089 7.892 10.238 -17.664 1.00 0.00 H new ATOM 346 N GLU A1090 4.579 12.948 -18.127 1.00 0.00 N ATOM 347 CA GLU A1090 3.183 12.524 -18.186 1.00 0.00 C ATOM 348 C GLU A1090 3.072 11.067 -18.630 1.00 0.00 C ATOM 349 O GLU A1090 3.396 10.734 -19.771 1.00 0.00 O ATOM 350 CB GLU A1090 2.408 13.397 -19.170 1.00 0.00 C ATOM 351 CG GLU A1090 2.584 14.890 -18.959 1.00 0.00 C ATOM 352 CD GLU A1090 1.938 15.712 -20.056 1.00 0.00 C ATOM 353 OE1 GLU A1090 0.733 16.014 -19.952 1.00 0.00 O ATOM 354 OE2 GLU A1090 2.627 16.062 -21.031 1.00 0.00 O ATOM 0 H GLU A1090 4.791 13.766 -18.698 1.00 0.00 H new ATOM 0 HA GLU A1090 2.763 12.627 -17.185 1.00 0.00 H new ATOM 0 HB2 GLU A1090 2.721 13.146 -20.184 1.00 0.00 H new ATOM 0 HB3 GLU A1090 1.348 13.154 -19.095 1.00 0.00 H new ATOM 0 HG2 GLU A1090 2.154 15.171 -17.998 1.00 0.00 H new ATOM 0 HG3 GLU A1090 3.648 15.124 -18.913 1.00 0.00 H new ATOM 361 N GLY A1091 2.619 10.206 -17.732 1.00 0.00 N ATOM 362 CA GLY A1091 2.422 8.812 -18.083 1.00 0.00 C ATOM 363 C GLY A1091 3.272 7.861 -17.263 1.00 0.00 C ATOM 364 O GLY A1091 3.263 6.650 -17.499 1.00 0.00 O ATOM 0 H GLY A1091 2.384 10.445 -16.769 1.00 0.00 H new ATOM 0 HA2 GLY A1091 1.371 8.556 -17.949 1.00 0.00 H new ATOM 0 HA3 GLY A1091 2.652 8.675 -19.140 1.00 0.00 H new ATOM 368 N GLU A1092 3.999 8.393 -16.296 1.00 0.00 N ATOM 369 CA GLU A1092 4.796 7.558 -15.414 1.00 0.00 C ATOM 370 C GLU A1092 3.993 7.142 -14.193 1.00 0.00 C ATOM 371 O GLU A1092 3.222 7.929 -13.640 1.00 0.00 O ATOM 372 CB GLU A1092 6.077 8.271 -14.985 1.00 0.00 C ATOM 373 CG GLU A1092 7.159 8.270 -16.052 1.00 0.00 C ATOM 374 CD GLU A1092 7.536 6.867 -16.493 1.00 0.00 C ATOM 375 OE1 GLU A1092 7.354 5.915 -15.705 1.00 0.00 O ATOM 376 OE2 GLU A1092 8.017 6.706 -17.636 1.00 0.00 O ATOM 0 H GLU A1092 4.054 9.393 -16.102 1.00 0.00 H new ATOM 0 HA GLU A1092 5.074 6.663 -15.970 1.00 0.00 H new ATOM 0 HB2 GLU A1092 5.839 9.302 -14.722 1.00 0.00 H new ATOM 0 HB3 GLU A1092 6.465 7.794 -14.085 1.00 0.00 H new ATOM 0 HG2 GLU A1092 6.814 8.839 -16.915 1.00 0.00 H new ATOM 0 HG3 GLU A1092 8.044 8.777 -15.668 1.00 0.00 H new ATOM 383 N VAL A1093 4.163 5.897 -13.789 1.00 0.00 N ATOM 384 CA VAL A1093 3.486 5.380 -12.616 1.00 0.00 C ATOM 385 C VAL A1093 4.453 5.334 -11.439 1.00 0.00 C ATOM 386 O VAL A1093 5.572 4.835 -11.555 1.00 0.00 O ATOM 387 CB VAL A1093 2.907 3.973 -12.874 1.00 0.00 C ATOM 388 CG1 VAL A1093 2.189 3.435 -11.644 1.00 0.00 C ATOM 389 CG2 VAL A1093 1.974 3.990 -14.074 1.00 0.00 C ATOM 0 H VAL A1093 4.767 5.223 -14.259 1.00 0.00 H new ATOM 0 HA VAL A1093 2.657 6.048 -12.383 1.00 0.00 H new ATOM 0 HB VAL A1093 3.740 3.305 -13.092 1.00 0.00 H new ATOM 0 HG11 VAL A1093 1.793 2.443 -11.859 1.00 0.00 H new ATOM 0 HG12 VAL A1093 2.890 3.373 -10.811 1.00 0.00 H new ATOM 0 HG13 VAL A1093 1.369 4.103 -11.380 1.00 0.00 H new ATOM 0 HG21 VAL A1093 1.576 2.989 -14.240 1.00 0.00 H new ATOM 0 HG22 VAL A1093 1.152 4.681 -13.886 1.00 0.00 H new ATOM 0 HG23 VAL A1093 2.524 4.313 -14.958 1.00 0.00 H new ATOM 399 N ILE A1094 4.016 5.864 -10.313 1.00 0.00 N ATOM 400 CA ILE A1094 4.849 5.943 -9.122 1.00 0.00 C ATOM 401 C ILE A1094 4.184 5.202 -7.972 1.00 0.00 C ATOM 402 O ILE A1094 2.973 5.283 -7.799 1.00 0.00 O ATOM 403 CB ILE A1094 5.083 7.411 -8.688 1.00 0.00 C ATOM 404 CG1 ILE A1094 5.643 8.246 -9.839 1.00 0.00 C ATOM 405 CG2 ILE A1094 6.021 7.475 -7.491 1.00 0.00 C ATOM 406 CD1 ILE A1094 5.805 9.715 -9.498 1.00 0.00 C ATOM 0 H ILE A1094 3.080 6.251 -10.195 1.00 0.00 H new ATOM 0 HA ILE A1094 5.809 5.488 -9.366 1.00 0.00 H new ATOM 0 HB ILE A1094 4.118 7.828 -8.401 1.00 0.00 H new ATOM 0 HG12 ILE A1094 6.611 7.841 -10.134 1.00 0.00 H new ATOM 0 HG13 ILE A1094 4.982 8.152 -10.701 1.00 0.00 H new ATOM 0 HG21 ILE A1094 6.172 8.515 -7.202 1.00 0.00 H new ATOM 0 HG22 ILE A1094 5.584 6.927 -6.657 1.00 0.00 H new ATOM 0 HG23 ILE A1094 6.980 7.029 -7.756 1.00 0.00 H new ATOM 0 HD11 ILE A1094 6.207 10.247 -10.361 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.835 10.136 -9.232 1.00 0.00 H new ATOM 0 HD13 ILE A1094 6.490 9.820 -8.656 1.00 0.00 H new ATOM 418 N ILE A1095 4.965 4.470 -7.200 1.00 0.00 N ATOM 419 CA ILE A1095 4.451 3.865 -5.985 1.00 0.00 C ATOM 420 C ILE A1095 4.715 4.783 -4.810 1.00 0.00 C ATOM 421 O ILE A1095 5.857 5.184 -4.570 1.00 0.00 O ATOM 422 CB ILE A1095 5.062 2.477 -5.694 1.00 0.00 C ATOM 423 CG1 ILE A1095 4.615 1.476 -6.756 1.00 0.00 C ATOM 424 CG2 ILE A1095 4.668 1.994 -4.302 1.00 0.00 C ATOM 425 CD1 ILE A1095 4.896 0.035 -6.393 1.00 0.00 C ATOM 0 H ILE A1095 5.949 4.281 -7.390 1.00 0.00 H new ATOM 0 HA ILE A1095 3.381 3.721 -6.132 1.00 0.00 H new ATOM 0 HB ILE A1095 6.148 2.562 -5.727 1.00 0.00 H new ATOM 0 HG12 ILE A1095 3.545 1.596 -6.928 1.00 0.00 H new ATOM 0 HG13 ILE A1095 5.116 1.709 -7.695 1.00 0.00 H new ATOM 0 HG21 ILE A1095 5.109 1.014 -4.118 1.00 0.00 H new ATOM 0 HG22 ILE A1095 5.030 2.701 -3.556 1.00 0.00 H new ATOM 0 HG23 ILE A1095 3.582 1.921 -4.236 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.551 -0.616 -7.196 1.00 0.00 H new ATOM 0 HD12 ILE A1095 5.968 -0.102 -6.250 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.372 -0.217 -5.471 1.00 0.00 H new ATOM 437 N VAL A1096 3.652 5.126 -4.103 1.00 0.00 N ATOM 438 CA VAL A1096 3.753 5.953 -2.918 1.00 0.00 C ATOM 439 C VAL A1096 4.387 5.161 -1.784 1.00 0.00 C ATOM 440 O VAL A1096 3.791 4.217 -1.263 1.00 0.00 O ATOM 441 CB VAL A1096 2.367 6.465 -2.481 1.00 0.00 C ATOM 442 CG1 VAL A1096 2.480 7.357 -1.254 1.00 0.00 C ATOM 443 CG2 VAL A1096 1.697 7.208 -3.622 1.00 0.00 C ATOM 0 H VAL A1096 2.701 4.840 -4.334 1.00 0.00 H new ATOM 0 HA VAL A1096 4.379 6.813 -3.157 1.00 0.00 H new ATOM 0 HB VAL A1096 1.752 5.605 -2.216 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.489 7.706 -0.965 1.00 0.00 H new ATOM 0 HG12 VAL A1096 2.919 6.792 -0.432 1.00 0.00 H new ATOM 0 HG13 VAL A1096 3.113 8.214 -1.484 1.00 0.00 H new ATOM 0 HG21 VAL A1096 0.719 7.564 -3.299 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.314 8.057 -3.915 1.00 0.00 H new ATOM 0 HG23 VAL A1096 1.576 6.537 -4.472 1.00 0.00 H new ATOM 453 N THR A1097 5.601 5.537 -1.423 1.00 0.00 N ATOM 454 CA THR A1097 6.353 4.823 -0.412 1.00 0.00 C ATOM 455 C THR A1097 6.565 5.708 0.820 1.00 0.00 C ATOM 456 O THR A1097 7.154 5.284 1.816 1.00 0.00 O ATOM 457 CB THR A1097 7.711 4.343 -0.982 1.00 0.00 C ATOM 458 OG1 THR A1097 8.485 5.460 -1.437 1.00 0.00 O ATOM 459 CG2 THR A1097 7.506 3.376 -2.147 1.00 0.00 C ATOM 0 H THR A1097 6.089 6.340 -1.820 1.00 0.00 H new ATOM 0 HA THR A1097 5.781 3.945 -0.110 1.00 0.00 H new ATOM 0 HB THR A1097 8.241 3.829 -0.180 1.00 0.00 H new ATOM 0 HG1 THR A1097 8.976 5.209 -2.247 1.00 0.00 H new ATOM 0 HG21 THR A1097 8.475 3.055 -2.528 1.00 0.00 H new ATOM 0 HG22 THR A1097 6.945 2.507 -1.804 1.00 0.00 H new ATOM 0 HG23 THR A1097 6.951 3.876 -2.941 1.00 0.00 H new ATOM 467 N GLY A1098 6.064 6.939 0.737 1.00 0.00 N ATOM 468 CA GLY A1098 6.147 7.875 1.843 1.00 0.00 C ATOM 469 C GLY A1098 5.310 9.118 1.589 1.00 0.00 C ATOM 470 O GLY A1098 4.794 9.301 0.486 1.00 0.00 O ATOM 0 H GLY A1098 5.595 7.307 -0.091 1.00 0.00 H new ATOM 0 HA2 GLY A1098 5.809 7.389 2.758 1.00 0.00 H new ATOM 0 HA3 GLY A1098 7.187 8.162 2.000 1.00 0.00 H new ATOM 474 N GLU A1099 5.171 9.970 2.597 1.00 0.00 N ATOM 475 CA GLU A1099 4.358 11.183 2.484 1.00 0.00 C ATOM 476 C GLU A1099 4.997 12.333 3.256 1.00 0.00 C ATOM 477 O GLU A1099 5.455 12.153 4.385 1.00 0.00 O ATOM 478 CB GLU A1099 2.943 10.921 3.010 1.00 0.00 C ATOM 479 CG GLU A1099 2.121 10.028 2.099 1.00 0.00 C ATOM 480 CD GLU A1099 0.800 9.612 2.711 1.00 0.00 C ATOM 481 OE1 GLU A1099 0.762 8.582 3.410 1.00 0.00 O ATOM 482 OE2 GLU A1099 -0.215 10.298 2.473 1.00 0.00 O ATOM 0 H GLU A1099 5.612 9.846 3.508 1.00 0.00 H new ATOM 0 HA GLU A1099 4.301 11.462 1.432 1.00 0.00 H new ATOM 0 HB2 GLU A1099 3.009 10.461 3.996 1.00 0.00 H new ATOM 0 HB3 GLU A1099 2.427 11.873 3.136 1.00 0.00 H new ATOM 0 HG2 GLU A1099 1.932 10.551 1.161 1.00 0.00 H new ATOM 0 HG3 GLU A1099 2.699 9.136 1.856 1.00 0.00 H new ATOM 489 N GLU A1100 5.038 13.506 2.638 1.00 0.00 N ATOM 490 CA GLU A1100 5.615 14.690 3.267 1.00 0.00 C ATOM 491 C GLU A1100 4.545 15.744 3.499 1.00 0.00 C ATOM 492 O GLU A1100 4.425 16.312 4.586 1.00 0.00 O ATOM 493 CB GLU A1100 6.714 15.283 2.383 1.00 0.00 C ATOM 494 CG GLU A1100 7.981 14.456 2.336 1.00 0.00 C ATOM 495 CD GLU A1100 8.749 14.497 3.642 1.00 0.00 C ATOM 496 OE1 GLU A1100 9.469 15.490 3.877 1.00 0.00 O ATOM 497 OE2 GLU A1100 8.637 13.547 4.443 1.00 0.00 O ATOM 0 H GLU A1100 4.677 13.665 1.697 1.00 0.00 H new ATOM 0 HA GLU A1100 6.041 14.388 4.224 1.00 0.00 H new ATOM 0 HB2 GLU A1100 6.329 15.397 1.370 1.00 0.00 H new ATOM 0 HB3 GLU A1100 6.958 16.282 2.745 1.00 0.00 H new ATOM 0 HG2 GLU A1100 7.728 13.423 2.099 1.00 0.00 H new ATOM 0 HG3 GLU A1100 8.619 14.820 1.531 1.00 0.00 H new ATOM 504 N ASP A1101 3.772 15.988 2.458 1.00 0.00 N ATOM 505 CA ASP A1101 2.747 17.018 2.467 1.00 0.00 C ATOM 506 C ASP A1101 1.473 16.453 1.845 1.00 0.00 C ATOM 507 O ASP A1101 1.411 15.256 1.563 1.00 0.00 O ATOM 508 CB ASP A1101 3.254 18.239 1.681 1.00 0.00 C ATOM 509 CG ASP A1101 2.318 19.430 1.735 1.00 0.00 C ATOM 510 OD1 ASP A1101 2.336 20.161 2.744 1.00 0.00 O ATOM 511 OD2 ASP A1101 1.556 19.635 0.770 1.00 0.00 O ATOM 0 H ASP A1101 3.836 15.476 1.578 1.00 0.00 H new ATOM 0 HA ASP A1101 2.526 17.333 3.487 1.00 0.00 H new ATOM 0 HB2 ASP A1101 4.227 18.535 2.074 1.00 0.00 H new ATOM 0 HB3 ASP A1101 3.404 17.953 0.640 1.00 0.00 H new ATOM 516 N GLN A1102 0.467 17.282 1.630 1.00 0.00 N ATOM 517 CA GLN A1102 -0.751 16.833 0.985 1.00 0.00 C ATOM 518 C GLN A1102 -0.523 16.710 -0.515 1.00 0.00 C ATOM 519 O GLN A1102 -1.058 15.810 -1.163 1.00 0.00 O ATOM 520 CB GLN A1102 -1.905 17.797 1.270 1.00 0.00 C ATOM 521 CG GLN A1102 -3.209 17.395 0.599 1.00 0.00 C ATOM 522 CD GLN A1102 -4.343 18.354 0.891 1.00 0.00 C ATOM 523 OE1 GLN A1102 -5.097 18.172 1.847 1.00 0.00 O ATOM 524 NE2 GLN A1102 -4.470 19.386 0.075 1.00 0.00 N ATOM 0 H GLN A1102 0.470 18.268 1.893 1.00 0.00 H new ATOM 0 HA GLN A1102 -1.019 15.856 1.388 1.00 0.00 H new ATOM 0 HB2 GLN A1102 -2.062 17.855 2.347 1.00 0.00 H new ATOM 0 HB3 GLN A1102 -1.625 18.796 0.934 1.00 0.00 H new ATOM 0 HG2 GLN A1102 -3.055 17.340 -0.479 1.00 0.00 H new ATOM 0 HG3 GLN A1102 -3.490 16.396 0.932 1.00 0.00 H new ATOM 0 HE21 GLN A1102 -3.824 19.501 -0.706 1.00 0.00 H new ATOM 0 HE22 GLN A1102 -5.214 20.067 0.226 1.00 0.00 H new ATOM 533 N GLU A1103 0.307 17.596 -1.060 1.00 0.00 N ATOM 534 CA GLU A1103 0.564 17.594 -2.488 1.00 0.00 C ATOM 535 C GLU A1103 2.004 17.209 -2.774 1.00 0.00 C ATOM 536 O GLU A1103 2.504 17.414 -3.876 1.00 0.00 O ATOM 537 CB GLU A1103 0.230 18.950 -3.125 1.00 0.00 C ATOM 538 CG GLU A1103 0.813 20.151 -2.401 1.00 0.00 C ATOM 539 CD GLU A1103 0.452 21.454 -3.081 1.00 0.00 C ATOM 540 OE1 GLU A1103 -0.736 21.835 -3.046 1.00 0.00 O ATOM 541 OE2 GLU A1103 1.349 22.100 -3.666 1.00 0.00 O ATOM 0 H GLU A1103 0.806 18.315 -0.537 1.00 0.00 H new ATOM 0 HA GLU A1103 -0.091 16.848 -2.938 1.00 0.00 H new ATOM 0 HB2 GLU A1103 0.591 18.952 -4.153 1.00 0.00 H new ATOM 0 HB3 GLU A1103 -0.854 19.059 -3.168 1.00 0.00 H new ATOM 0 HG2 GLU A1103 0.450 20.166 -1.373 1.00 0.00 H new ATOM 0 HG3 GLU A1103 1.898 20.055 -2.355 1.00 0.00 H new ATOM 548 N TRP A1104 2.656 16.630 -1.780 1.00 0.00 N ATOM 549 CA TRP A1104 4.036 16.186 -1.924 1.00 0.00 C ATOM 550 C TRP A1104 4.249 14.871 -1.200 1.00 0.00 C ATOM 551 O TRP A1104 4.326 14.825 0.030 1.00 0.00 O ATOM 552 CB TRP A1104 5.003 17.250 -1.405 1.00 0.00 C ATOM 553 CG TRP A1104 5.028 18.462 -2.275 1.00 0.00 C ATOM 554 CD1 TRP A1104 4.199 19.544 -2.200 1.00 0.00 C ATOM 555 CD2 TRP A1104 5.911 18.704 -3.372 1.00 0.00 C ATOM 556 NE1 TRP A1104 4.516 20.445 -3.187 1.00 0.00 N ATOM 557 CE2 TRP A1104 5.568 19.954 -3.916 1.00 0.00 C ATOM 558 CE3 TRP A1104 6.965 17.984 -3.943 1.00 0.00 C ATOM 559 CZ2 TRP A1104 6.240 20.498 -5.007 1.00 0.00 C ATOM 560 CZ3 TRP A1104 7.630 18.524 -5.026 1.00 0.00 C ATOM 561 CH2 TRP A1104 7.268 19.772 -5.547 1.00 0.00 C ATOM 0 H TRP A1104 2.252 16.455 -0.860 1.00 0.00 H new ATOM 0 HA TRP A1104 4.238 16.031 -2.984 1.00 0.00 H new ATOM 0 HB2 TRP A1104 4.716 17.537 -0.393 1.00 0.00 H new ATOM 0 HB3 TRP A1104 6.006 16.828 -1.344 1.00 0.00 H new ATOM 0 HD1 TRP A1104 3.411 19.672 -1.473 1.00 0.00 H new ATOM 0 HE1 TRP A1104 4.045 21.335 -3.351 1.00 0.00 H new ATOM 0 HE3 TRP A1104 7.254 17.023 -3.544 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 5.960 21.459 -5.413 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 8.442 17.975 -5.478 1.00 0.00 H new ATOM 0 HH2 TRP A1104 7.810 20.170 -6.392 1.00 0.00 H new ATOM 572 N TRP A1105 4.326 13.802 -1.971 1.00 0.00 N ATOM 573 CA TRP A1105 4.537 12.478 -1.410 1.00 0.00 C ATOM 574 C TRP A1105 5.907 11.959 -1.815 1.00 0.00 C ATOM 575 O TRP A1105 6.590 12.562 -2.639 1.00 0.00 O ATOM 576 CB TRP A1105 3.447 11.501 -1.874 1.00 0.00 C ATOM 577 CG TRP A1105 2.060 11.870 -1.434 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.706 12.811 -0.509 1.00 0.00 C ATOM 579 CD2 TRP A1105 0.838 11.293 -1.904 1.00 0.00 C ATOM 580 NE1 TRP A1105 0.342 12.861 -0.387 1.00 0.00 N ATOM 581 CE2 TRP A1105 -0.215 11.936 -1.233 1.00 0.00 C ATOM 582 CE3 TRP A1105 0.536 10.297 -2.836 1.00 0.00 C ATOM 583 CZ2 TRP A1105 -1.551 11.611 -1.461 1.00 0.00 C ATOM 584 CZ3 TRP A1105 -0.787 9.974 -3.060 1.00 0.00 C ATOM 585 CH2 TRP A1105 -1.817 10.632 -2.377 1.00 0.00 C ATOM 0 H TRP A1105 4.246 13.823 -2.988 1.00 0.00 H new ATOM 0 HA TRP A1105 4.484 12.554 -0.324 1.00 0.00 H new ATOM 0 HB2 TRP A1105 3.467 11.442 -2.962 1.00 0.00 H new ATOM 0 HB3 TRP A1105 3.683 10.506 -1.497 1.00 0.00 H new ATOM 0 HD1 TRP A1105 2.400 13.426 0.045 1.00 0.00 H new ATOM 0 HE1 TRP A1105 -0.175 13.485 0.232 1.00 0.00 H new ATOM 0 HE3 TRP A1105 1.324 9.789 -3.372 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 -2.347 12.115 -0.933 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 -1.032 9.201 -3.774 1.00 0.00 H new ATOM 0 HH2 TRP A1105 -2.843 10.360 -2.578 1.00 0.00 H new ATOM 596 N ILE A1106 6.297 10.846 -1.228 1.00 0.00 N ATOM 597 CA ILE A1106 7.568 10.215 -1.523 1.00 0.00 C ATOM 598 C ILE A1106 7.305 8.858 -2.135 1.00 0.00 C ATOM 599 O ILE A1106 6.388 8.152 -1.718 1.00 0.00 O ATOM 600 CB ILE A1106 8.432 10.051 -0.252 1.00 0.00 C ATOM 601 CG1 ILE A1106 8.743 11.416 0.353 1.00 0.00 C ATOM 602 CG2 ILE A1106 9.725 9.307 -0.567 1.00 0.00 C ATOM 603 CD1 ILE A1106 9.333 11.341 1.745 1.00 0.00 C ATOM 0 H ILE A1106 5.740 10.352 -0.531 1.00 0.00 H new ATOM 0 HA ILE A1106 8.118 10.850 -2.217 1.00 0.00 H new ATOM 0 HB ILE A1106 7.868 9.463 0.472 1.00 0.00 H new ATOM 0 HG12 ILE A1106 9.439 11.944 -0.300 1.00 0.00 H new ATOM 0 HG13 ILE A1106 7.827 12.006 0.387 1.00 0.00 H new ATOM 0 HG21 ILE A1106 10.316 9.204 0.343 1.00 0.00 H new ATOM 0 HG22 ILE A1106 9.489 8.318 -0.961 1.00 0.00 H new ATOM 0 HG23 ILE A1106 10.295 9.866 -1.309 1.00 0.00 H new ATOM 0 HD11 ILE A1106 9.529 12.349 2.112 1.00 0.00 H new ATOM 0 HD12 ILE A1106 8.630 10.842 2.412 1.00 0.00 H new ATOM 0 HD13 ILE A1106 10.266 10.778 1.715 1.00 0.00 H new ATOM 615 N GLY A1107 8.064 8.512 -3.144 1.00 0.00 N ATOM 616 CA GLY A1107 7.861 7.246 -3.784 1.00 0.00 C ATOM 617 C GLY A1107 8.902 6.956 -4.823 1.00 0.00 C ATOM 618 O GLY A1107 9.927 7.631 -4.888 1.00 0.00 O ATOM 0 H GLY A1107 8.816 9.082 -3.532 1.00 0.00 H new ATOM 0 HA2 GLY A1107 7.872 6.456 -3.033 1.00 0.00 H new ATOM 0 HA3 GLY A1107 6.875 7.231 -4.248 1.00 0.00 H new ATOM 622 N HIS A1108 8.625 5.963 -5.641 1.00 0.00 N ATOM 623 CA HIS A1108 9.555 5.537 -6.672 1.00 0.00 C ATOM 624 C HIS A1108 8.803 5.191 -7.953 1.00 0.00 C ATOM 625 O HIS A1108 7.645 4.767 -7.908 1.00 0.00 O ATOM 626 CB HIS A1108 10.398 4.336 -6.193 1.00 0.00 C ATOM 627 CG HIS A1108 9.652 3.046 -5.975 1.00 0.00 C ATOM 628 ND1 HIS A1108 9.728 2.319 -4.811 1.00 0.00 N ATOM 629 CD2 HIS A1108 8.869 2.322 -6.806 1.00 0.00 C ATOM 630 CE1 HIS A1108 9.033 1.203 -4.948 1.00 0.00 C ATOM 631 NE2 HIS A1108 8.502 1.182 -6.147 1.00 0.00 N ATOM 0 H HIS A1108 7.756 5.430 -5.613 1.00 0.00 H new ATOM 0 HA HIS A1108 10.236 6.362 -6.881 1.00 0.00 H new ATOM 0 HB2 HIS A1108 11.186 4.157 -6.924 1.00 0.00 H new ATOM 0 HB3 HIS A1108 10.887 4.611 -5.259 1.00 0.00 H new ATOM 0 HD1 HIS A1108 10.240 2.597 -3.974 1.00 0.00 H new ATOM 0 HD2 HIS A1108 8.584 2.596 -7.811 1.00 0.00 H new ATOM 0 HE1 HIS A1108 8.921 0.435 -4.197 1.00 0.00 H new ATOM 640 N ILE A1109 9.464 5.377 -9.085 1.00 0.00 N ATOM 641 CA ILE A1109 8.901 5.026 -10.380 1.00 0.00 C ATOM 642 C ILE A1109 8.777 3.514 -10.515 1.00 0.00 C ATOM 643 O ILE A1109 9.738 2.782 -10.279 1.00 0.00 O ATOM 644 CB ILE A1109 9.774 5.574 -11.538 1.00 0.00 C ATOM 645 CG1 ILE A1109 9.727 7.105 -11.573 1.00 0.00 C ATOM 646 CG2 ILE A1109 9.328 5.000 -12.878 1.00 0.00 C ATOM 647 CD1 ILE A1109 8.404 7.662 -12.050 1.00 0.00 C ATOM 0 H ILE A1109 10.402 5.774 -9.132 1.00 0.00 H new ATOM 0 HA ILE A1109 7.912 5.479 -10.442 1.00 0.00 H new ATOM 0 HB ILE A1109 10.803 5.262 -11.358 1.00 0.00 H new ATOM 0 HG12 ILE A1109 9.934 7.489 -10.574 1.00 0.00 H new ATOM 0 HG13 ILE A1109 10.521 7.469 -12.225 1.00 0.00 H new ATOM 0 HG21 ILE A1109 9.957 5.401 -13.673 1.00 0.00 H new ATOM 0 HG22 ILE A1109 9.418 3.914 -12.857 1.00 0.00 H new ATOM 0 HG23 ILE A1109 8.290 5.274 -13.064 1.00 0.00 H new ATOM 0 HD11 ILE A1109 8.446 8.751 -12.048 1.00 0.00 H new ATOM 0 HD12 ILE A1109 8.204 7.308 -13.061 1.00 0.00 H new ATOM 0 HD13 ILE A1109 7.608 7.328 -11.385 1.00 0.00 H new ATOM 659 N GLU A1110 7.586 3.060 -10.869 1.00 0.00 N ATOM 660 CA GLU A1110 7.339 1.651 -11.128 1.00 0.00 C ATOM 661 C GLU A1110 8.224 1.160 -12.270 1.00 0.00 C ATOM 662 O GLU A1110 8.137 1.666 -13.389 1.00 0.00 O ATOM 663 CB GLU A1110 5.871 1.449 -11.500 1.00 0.00 C ATOM 664 CG GLU A1110 4.959 1.218 -10.315 1.00 0.00 C ATOM 665 CD GLU A1110 5.036 -0.205 -9.812 1.00 0.00 C ATOM 666 OE1 GLU A1110 6.066 -0.577 -9.220 1.00 0.00 O ATOM 667 OE2 GLU A1110 4.069 -0.963 -10.027 1.00 0.00 O ATOM 0 H GLU A1110 6.766 3.655 -10.985 1.00 0.00 H new ATOM 0 HA GLU A1110 7.572 1.081 -10.228 1.00 0.00 H new ATOM 0 HB2 GLU A1110 5.522 2.325 -12.048 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.793 0.598 -12.176 1.00 0.00 H new ATOM 0 HG2 GLU A1110 5.229 1.902 -9.511 1.00 0.00 H new ATOM 0 HG3 GLU A1110 3.932 1.448 -10.598 1.00 0.00 H new ATOM 674 N GLY A1111 9.086 0.196 -11.984 1.00 0.00 N ATOM 675 CA GLY A1111 9.965 -0.335 -13.008 1.00 0.00 C ATOM 676 C GLY A1111 11.313 0.355 -13.019 1.00 0.00 C ATOM 677 O GLY A1111 12.260 -0.120 -13.644 1.00 0.00 O ATOM 0 H GLY A1111 9.194 -0.228 -11.063 1.00 0.00 H new ATOM 0 HA2 GLY A1111 10.107 -1.403 -12.844 1.00 0.00 H new ATOM 0 HA3 GLY A1111 9.493 -0.222 -13.984 1.00 0.00 H new ATOM 681 N GLN A1112 11.399 1.482 -12.328 1.00 0.00 N ATOM 682 CA GLN A1112 12.650 2.216 -12.209 1.00 0.00 C ATOM 683 C GLN A1112 12.888 2.595 -10.753 1.00 0.00 C ATOM 684 O GLN A1112 12.665 3.739 -10.358 1.00 0.00 O ATOM 685 CB GLN A1112 12.637 3.477 -13.081 1.00 0.00 C ATOM 686 CG GLN A1112 12.522 3.206 -14.572 1.00 0.00 C ATOM 687 CD GLN A1112 12.622 4.475 -15.396 1.00 0.00 C ATOM 688 OE1 GLN A1112 13.285 5.434 -15.002 1.00 0.00 O ATOM 689 NE2 GLN A1112 11.962 4.495 -16.542 1.00 0.00 N ATOM 0 H GLN A1112 10.613 1.910 -11.839 1.00 0.00 H new ATOM 0 HA GLN A1112 13.458 1.572 -12.556 1.00 0.00 H new ATOM 0 HB2 GLN A1112 11.804 4.109 -12.773 1.00 0.00 H new ATOM 0 HB3 GLN A1112 13.551 4.042 -12.896 1.00 0.00 H new ATOM 0 HG2 GLN A1112 13.309 2.515 -14.875 1.00 0.00 H new ATOM 0 HG3 GLN A1112 11.571 2.716 -14.778 1.00 0.00 H new ATOM 0 HE21 GLN A1112 11.423 3.680 -16.835 1.00 0.00 H new ATOM 0 HE22 GLN A1112 11.992 5.326 -17.133 1.00 0.00 H new ATOM 698 N PRO A1113 13.357 1.641 -9.933 1.00 0.00 N ATOM 699 CA PRO A1113 13.529 1.843 -8.489 1.00 0.00 C ATOM 700 C PRO A1113 14.647 2.830 -8.165 1.00 0.00 C ATOM 701 O PRO A1113 14.813 3.240 -7.018 1.00 0.00 O ATOM 702 CB PRO A1113 13.877 0.446 -7.953 1.00 0.00 C ATOM 703 CG PRO A1113 13.602 -0.500 -9.074 1.00 0.00 C ATOM 704 CD PRO A1113 13.764 0.289 -10.341 1.00 0.00 C ATOM 0 HA PRO A1113 12.632 2.269 -8.039 1.00 0.00 H new ATOM 0 HB2 PRO A1113 14.921 0.394 -7.645 1.00 0.00 H new ATOM 0 HB3 PRO A1113 13.274 0.202 -7.078 1.00 0.00 H new ATOM 0 HG2 PRO A1113 14.293 -1.343 -9.050 1.00 0.00 H new ATOM 0 HG3 PRO A1113 12.595 -0.911 -8.998 1.00 0.00 H new ATOM 0 HD2 PRO A1113 14.792 0.267 -10.703 1.00 0.00 H new ATOM 0 HD3 PRO A1113 13.135 -0.099 -11.143 1.00 0.00 H new ATOM 712 N GLU A1114 15.413 3.208 -9.182 1.00 0.00 N ATOM 713 CA GLU A1114 16.464 4.205 -9.017 1.00 0.00 C ATOM 714 C GLU A1114 15.848 5.597 -9.001 1.00 0.00 C ATOM 715 O GLU A1114 16.433 6.552 -8.488 1.00 0.00 O ATOM 716 CB GLU A1114 17.491 4.106 -10.148 1.00 0.00 C ATOM 717 CG GLU A1114 18.025 2.701 -10.367 1.00 0.00 C ATOM 718 CD GLU A1114 18.551 2.073 -9.095 1.00 0.00 C ATOM 719 OE1 GLU A1114 19.680 2.406 -8.681 1.00 0.00 O ATOM 720 OE2 GLU A1114 17.833 1.244 -8.503 1.00 0.00 O ATOM 0 H GLU A1114 15.326 2.839 -10.129 1.00 0.00 H new ATOM 0 HA GLU A1114 16.975 4.019 -8.072 1.00 0.00 H new ATOM 0 HB2 GLU A1114 17.035 4.460 -11.073 1.00 0.00 H new ATOM 0 HB3 GLU A1114 18.325 4.772 -9.928 1.00 0.00 H new ATOM 0 HG2 GLU A1114 17.232 2.075 -10.776 1.00 0.00 H new ATOM 0 HG3 GLU A1114 18.822 2.731 -11.110 1.00 0.00 H new ATOM 727 N ARG A1115 14.650 5.688 -9.557 1.00 0.00 N ATOM 728 CA ARG A1115 13.917 6.936 -9.647 1.00 0.00 C ATOM 729 C ARG A1115 12.978 7.080 -8.461 1.00 0.00 C ATOM 730 O ARG A1115 11.848 6.601 -8.504 1.00 0.00 O ATOM 731 CB ARG A1115 13.099 6.966 -10.940 1.00 0.00 C ATOM 732 CG ARG A1115 13.903 7.241 -12.195 1.00 0.00 C ATOM 733 CD ARG A1115 14.221 8.720 -12.341 1.00 0.00 C ATOM 734 NE ARG A1115 14.299 9.110 -13.749 1.00 0.00 N ATOM 735 CZ ARG A1115 15.012 10.132 -14.218 1.00 0.00 C ATOM 736 NH1 ARG A1115 15.768 10.861 -13.405 1.00 0.00 N ATOM 737 NH2 ARG A1115 14.985 10.417 -15.516 1.00 0.00 N ATOM 0 H ARG A1115 14.158 4.891 -9.961 1.00 0.00 H new ATOM 0 HA ARG A1115 14.631 7.760 -9.644 1.00 0.00 H new ATOM 0 HB2 ARG A1115 12.590 6.009 -11.054 1.00 0.00 H new ATOM 0 HB3 ARG A1115 12.326 7.729 -10.846 1.00 0.00 H new ATOM 0 HG2 ARG A1115 14.831 6.670 -12.166 1.00 0.00 H new ATOM 0 HG3 ARG A1115 13.345 6.900 -13.067 1.00 0.00 H new ATOM 0 HD2 ARG A1115 13.454 9.310 -11.840 1.00 0.00 H new ATOM 0 HD3 ARG A1115 15.167 8.941 -11.847 1.00 0.00 H new ATOM 0 HE ARG A1115 13.767 8.558 -14.422 1.00 0.00 H new ATOM 0 HH11 ARG A1115 15.807 10.640 -12.410 1.00 0.00 H new ATOM 0 HH12 ARG A1115 16.310 11.642 -13.776 1.00 0.00 H new ATOM 0 HH21 ARG A1115 14.419 9.853 -16.150 1.00 0.00 H new ATOM 0 HH22 ARG A1115 15.530 11.199 -15.878 1.00 0.00 H new ATOM 751 N LYS A1116 13.439 7.719 -7.399 1.00 0.00 N ATOM 752 CA LYS A1116 12.584 7.949 -6.239 1.00 0.00 C ATOM 753 C LYS A1116 12.666 9.398 -5.796 1.00 0.00 C ATOM 754 O LYS A1116 13.442 10.178 -6.347 1.00 0.00 O ATOM 755 CB LYS A1116 12.973 7.058 -5.062 1.00 0.00 C ATOM 756 CG LYS A1116 13.382 5.653 -5.447 1.00 0.00 C ATOM 757 CD LYS A1116 13.611 4.795 -4.216 1.00 0.00 C ATOM 758 CE LYS A1116 14.685 5.400 -3.322 1.00 0.00 C ATOM 759 NZ LYS A1116 14.956 4.572 -2.118 1.00 0.00 N ATOM 0 H LYS A1116 14.387 8.085 -7.312 1.00 0.00 H new ATOM 0 HA LYS A1116 11.566 7.706 -6.544 1.00 0.00 H new ATOM 0 HB2 LYS A1116 13.796 7.528 -4.524 1.00 0.00 H new ATOM 0 HB3 LYS A1116 12.131 7.002 -4.372 1.00 0.00 H new ATOM 0 HG2 LYS A1116 12.608 5.203 -6.069 1.00 0.00 H new ATOM 0 HG3 LYS A1116 14.292 5.687 -6.045 1.00 0.00 H new ATOM 0 HD2 LYS A1116 12.680 4.698 -3.658 1.00 0.00 H new ATOM 0 HD3 LYS A1116 13.908 3.791 -4.518 1.00 0.00 H new ATOM 0 HE2 LYS A1116 15.606 5.517 -3.894 1.00 0.00 H new ATOM 0 HE3 LYS A1116 14.375 6.397 -3.011 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 15.694 5.027 -1.543 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 14.086 4.481 -1.556 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 15.279 3.628 -2.411 1.00 0.00 H new ATOM 773 N GLY A1117 11.867 9.753 -4.800 1.00 0.00 N ATOM 774 CA GLY A1117 11.942 11.079 -4.238 1.00 0.00 C ATOM 775 C GLY A1117 10.571 11.654 -3.970 1.00 0.00 C ATOM 776 O GLY A1117 9.584 10.917 -3.938 1.00 0.00 O ATOM 0 H GLY A1117 11.169 9.144 -4.373 1.00 0.00 H new ATOM 0 HA2 GLY A1117 12.511 11.048 -3.309 1.00 0.00 H new ATOM 0 HA3 GLY A1117 12.483 11.733 -4.922 1.00 0.00 H new ATOM 780 N VAL A1118 10.505 12.962 -3.773 1.00 0.00 N ATOM 781 CA VAL A1118 9.232 13.629 -3.576 1.00 0.00 C ATOM 782 C VAL A1118 8.617 13.996 -4.917 1.00 0.00 C ATOM 783 O VAL A1118 9.308 14.449 -5.834 1.00 0.00 O ATOM 784 CB VAL A1118 9.348 14.895 -2.691 1.00 0.00 C ATOM 785 CG1 VAL A1118 9.720 14.523 -1.266 1.00 0.00 C ATOM 786 CG2 VAL A1118 10.358 15.878 -3.261 1.00 0.00 C ATOM 0 H VAL A1118 11.317 13.579 -3.746 1.00 0.00 H new ATOM 0 HA VAL A1118 8.587 12.924 -3.051 1.00 0.00 H new ATOM 0 HB VAL A1118 8.372 15.381 -2.681 1.00 0.00 H new ATOM 0 HG11 VAL A1118 9.796 15.427 -0.662 1.00 0.00 H new ATOM 0 HG12 VAL A1118 8.953 13.871 -0.848 1.00 0.00 H new ATOM 0 HG13 VAL A1118 10.678 14.004 -1.264 1.00 0.00 H new ATOM 0 HG21 VAL A1118 10.416 16.755 -2.617 1.00 0.00 H new ATOM 0 HG22 VAL A1118 11.337 15.403 -3.315 1.00 0.00 H new ATOM 0 HG23 VAL A1118 10.046 16.182 -4.260 1.00 0.00 H new ATOM 796 N PHE A1119 7.326 13.770 -5.032 1.00 0.00 N ATOM 797 CA PHE A1119 6.605 14.086 -6.246 1.00 0.00 C ATOM 798 C PHE A1119 5.321 14.825 -5.916 1.00 0.00 C ATOM 799 O PHE A1119 4.622 14.487 -4.952 1.00 0.00 O ATOM 800 CB PHE A1119 6.316 12.818 -7.062 1.00 0.00 C ATOM 801 CG PHE A1119 5.653 11.699 -6.301 1.00 0.00 C ATOM 802 CD1 PHE A1119 6.409 10.812 -5.550 1.00 0.00 C ATOM 803 CD2 PHE A1119 4.281 11.511 -6.363 1.00 0.00 C ATOM 804 CE1 PHE A1119 5.812 9.768 -4.879 1.00 0.00 C ATOM 805 CE2 PHE A1119 3.680 10.467 -5.685 1.00 0.00 C ATOM 806 CZ PHE A1119 4.450 9.593 -4.945 1.00 0.00 C ATOM 0 H PHE A1119 6.751 13.365 -4.293 1.00 0.00 H new ATOM 0 HA PHE A1119 7.230 14.736 -6.858 1.00 0.00 H new ATOM 0 HB2 PHE A1119 5.682 13.086 -7.907 1.00 0.00 H new ATOM 0 HB3 PHE A1119 7.255 12.449 -7.473 1.00 0.00 H new ATOM 0 HD1 PHE A1119 7.480 10.941 -5.490 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.675 12.188 -6.947 1.00 0.00 H new ATOM 0 HE1 PHE A1119 6.415 9.085 -4.299 1.00 0.00 H new ATOM 0 HE2 PHE A1119 2.609 10.335 -5.734 1.00 0.00 H new ATOM 0 HZ PHE A1119 3.984 8.773 -4.419 1.00 0.00 H new ATOM 816 N PRO A1120 5.020 15.875 -6.687 1.00 0.00 N ATOM 817 CA PRO A1120 3.818 16.672 -6.489 1.00 0.00 C ATOM 818 C PRO A1120 2.557 15.895 -6.854 1.00 0.00 C ATOM 819 O PRO A1120 2.376 15.467 -7.995 1.00 0.00 O ATOM 820 CB PRO A1120 4.013 17.868 -7.422 1.00 0.00 C ATOM 821 CG PRO A1120 4.961 17.395 -8.468 1.00 0.00 C ATOM 822 CD PRO A1120 5.839 16.368 -7.811 1.00 0.00 C ATOM 0 HA PRO A1120 3.684 16.963 -5.447 1.00 0.00 H new ATOM 0 HB2 PRO A1120 3.067 18.183 -7.861 1.00 0.00 H new ATOM 0 HB3 PRO A1120 4.416 18.726 -6.884 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.424 16.964 -9.313 1.00 0.00 H new ATOM 0 HG3 PRO A1120 5.555 18.222 -8.857 1.00 0.00 H new ATOM 0 HD2 PRO A1120 6.099 15.564 -8.500 1.00 0.00 H new ATOM 0 HD3 PRO A1120 6.775 16.805 -7.463 1.00 0.00 H new ATOM 830 N VAL A1121 1.688 15.725 -5.870 1.00 0.00 N ATOM 831 CA VAL A1121 0.458 14.967 -6.035 1.00 0.00 C ATOM 832 C VAL A1121 -0.505 15.713 -6.955 1.00 0.00 C ATOM 833 O VAL A1121 -1.394 15.123 -7.568 1.00 0.00 O ATOM 834 CB VAL A1121 -0.203 14.707 -4.666 1.00 0.00 C ATOM 835 CG1 VAL A1121 -1.347 13.716 -4.776 1.00 0.00 C ATOM 836 CG2 VAL A1121 0.835 14.214 -3.676 1.00 0.00 C ATOM 0 H VAL A1121 1.816 16.109 -4.934 1.00 0.00 H new ATOM 0 HA VAL A1121 0.702 14.007 -6.490 1.00 0.00 H new ATOM 0 HB VAL A1121 -0.621 15.648 -4.309 1.00 0.00 H new ATOM 0 HG11 VAL A1121 -1.788 13.558 -3.792 1.00 0.00 H new ATOM 0 HG12 VAL A1121 -2.105 14.109 -5.454 1.00 0.00 H new ATOM 0 HG13 VAL A1121 -0.971 12.768 -5.161 1.00 0.00 H new ATOM 0 HG21 VAL A1121 0.361 14.033 -2.712 1.00 0.00 H new ATOM 0 HG22 VAL A1121 1.277 13.288 -4.043 1.00 0.00 H new ATOM 0 HG23 VAL A1121 1.615 14.967 -3.561 1.00 0.00 H new ATOM 846 N SER A1122 -0.290 17.015 -7.069 1.00 0.00 N ATOM 847 CA SER A1122 -1.072 17.857 -7.958 1.00 0.00 C ATOM 848 C SER A1122 -0.708 17.589 -9.421 1.00 0.00 C ATOM 849 O SER A1122 -1.367 18.078 -10.340 1.00 0.00 O ATOM 850 CB SER A1122 -0.821 19.320 -7.597 1.00 0.00 C ATOM 851 OG SER A1122 0.547 19.526 -7.277 1.00 0.00 O ATOM 0 H SER A1122 0.430 17.516 -6.548 1.00 0.00 H new ATOM 0 HA SER A1122 -2.131 17.628 -7.837 1.00 0.00 H new ATOM 0 HB2 SER A1122 -1.106 19.961 -8.432 1.00 0.00 H new ATOM 0 HB3 SER A1122 -1.445 19.604 -6.750 1.00 0.00 H new ATOM 0 HG SER A1122 0.692 20.468 -7.050 1.00 0.00 H new ATOM 857 N PHE A1123 0.345 16.805 -9.625 1.00 0.00 N ATOM 858 CA PHE A1123 0.810 16.465 -10.963 1.00 0.00 C ATOM 859 C PHE A1123 0.497 15.009 -11.296 1.00 0.00 C ATOM 860 O PHE A1123 0.916 14.504 -12.338 1.00 0.00 O ATOM 861 CB PHE A1123 2.322 16.709 -11.083 1.00 0.00 C ATOM 862 CG PHE A1123 2.712 18.155 -11.256 1.00 0.00 C ATOM 863 CD1 PHE A1123 2.341 19.115 -10.327 1.00 0.00 C ATOM 864 CD2 PHE A1123 3.453 18.549 -12.359 1.00 0.00 C ATOM 865 CE1 PHE A1123 2.703 20.439 -10.496 1.00 0.00 C ATOM 866 CE2 PHE A1123 3.818 19.868 -12.534 1.00 0.00 C ATOM 867 CZ PHE A1123 3.443 20.816 -11.601 1.00 0.00 C ATOM 0 H PHE A1123 0.896 16.390 -8.873 1.00 0.00 H new ATOM 0 HA PHE A1123 0.286 17.106 -11.672 1.00 0.00 H new ATOM 0 HB2 PHE A1123 2.812 16.318 -10.191 1.00 0.00 H new ATOM 0 HB3 PHE A1123 2.703 16.140 -11.931 1.00 0.00 H new ATOM 0 HD1 PHE A1123 1.763 18.826 -9.462 1.00 0.00 H new ATOM 0 HD2 PHE A1123 3.749 17.813 -13.092 1.00 0.00 H new ATOM 0 HE1 PHE A1123 2.408 21.178 -9.765 1.00 0.00 H new ATOM 0 HE2 PHE A1123 4.396 20.159 -13.399 1.00 0.00 H new ATOM 0 HZ PHE A1123 3.727 21.849 -11.735 1.00 0.00 H new ATOM 877 N VAL A1124 -0.244 14.334 -10.421 1.00 0.00 N ATOM 878 CA VAL A1124 -0.509 12.909 -10.601 1.00 0.00 C ATOM 879 C VAL A1124 -1.954 12.547 -10.267 1.00 0.00 C ATOM 880 O VAL A1124 -2.721 13.359 -9.754 1.00 0.00 O ATOM 881 CB VAL A1124 0.418 12.036 -9.718 1.00 0.00 C ATOM 882 CG1 VAL A1124 1.884 12.340 -9.980 1.00 0.00 C ATOM 883 CG2 VAL A1124 0.094 12.219 -8.245 1.00 0.00 C ATOM 0 H VAL A1124 -0.668 14.745 -9.589 1.00 0.00 H new ATOM 0 HA VAL A1124 -0.316 12.707 -11.655 1.00 0.00 H new ATOM 0 HB VAL A1124 0.238 10.995 -9.986 1.00 0.00 H new ATOM 0 HG11 VAL A1124 2.506 11.710 -9.344 1.00 0.00 H new ATOM 0 HG12 VAL A1124 2.116 12.140 -11.026 1.00 0.00 H new ATOM 0 HG13 VAL A1124 2.083 13.388 -9.758 1.00 0.00 H new ATOM 0 HG21 VAL A1124 0.758 11.596 -7.646 1.00 0.00 H new ATOM 0 HG22 VAL A1124 0.231 13.265 -7.969 1.00 0.00 H new ATOM 0 HG23 VAL A1124 -0.940 11.928 -8.061 1.00 0.00 H new ATOM 893 N HIS A1125 -2.315 11.318 -10.600 1.00 0.00 N ATOM 894 CA HIS A1125 -3.573 10.716 -10.175 1.00 0.00 C ATOM 895 C HIS A1125 -3.278 9.560 -9.240 1.00 0.00 C ATOM 896 O HIS A1125 -2.196 9.005 -9.291 1.00 0.00 O ATOM 897 CB HIS A1125 -4.358 10.205 -11.379 1.00 0.00 C ATOM 898 CG HIS A1125 -5.316 11.197 -11.950 1.00 0.00 C ATOM 899 ND1 HIS A1125 -5.267 12.550 -11.681 1.00 0.00 N ATOM 900 CD2 HIS A1125 -6.368 11.017 -12.774 1.00 0.00 C ATOM 901 CE1 HIS A1125 -6.251 13.156 -12.319 1.00 0.00 C ATOM 902 NE2 HIS A1125 -6.935 12.247 -12.989 1.00 0.00 N ATOM 0 H HIS A1125 -1.740 10.704 -11.177 1.00 0.00 H new ATOM 0 HA HIS A1125 -4.171 11.470 -9.664 1.00 0.00 H new ATOM 0 HB2 HIS A1125 -3.655 9.906 -12.157 1.00 0.00 H new ATOM 0 HB3 HIS A1125 -4.909 9.311 -11.087 1.00 0.00 H new ATOM 0 HD1 HIS A1125 -4.579 13.009 -11.084 1.00 0.00 H new ATOM 0 HD2 HIS A1125 -6.702 10.077 -13.188 1.00 0.00 H new ATOM 0 HE1 HIS A1125 -6.461 14.215 -12.297 1.00 0.00 H new ATOM 911 N ILE A1126 -4.220 9.196 -8.393 1.00 0.00 N ATOM 912 CA ILE A1126 -4.007 8.090 -7.465 1.00 0.00 C ATOM 913 C ILE A1126 -4.678 6.824 -7.977 1.00 0.00 C ATOM 914 O ILE A1126 -5.799 6.862 -8.487 1.00 0.00 O ATOM 915 CB ILE A1126 -4.527 8.408 -6.041 1.00 0.00 C ATOM 916 CG1 ILE A1126 -3.612 9.405 -5.315 1.00 0.00 C ATOM 917 CG2 ILE A1126 -4.676 7.136 -5.207 1.00 0.00 C ATOM 918 CD1 ILE A1126 -3.776 10.846 -5.750 1.00 0.00 C ATOM 0 H ILE A1126 -5.135 9.642 -8.324 1.00 0.00 H new ATOM 0 HA ILE A1126 -2.930 7.937 -7.403 1.00 0.00 H new ATOM 0 HB ILE A1126 -5.509 8.865 -6.158 1.00 0.00 H new ATOM 0 HG12 ILE A1126 -3.803 9.339 -4.244 1.00 0.00 H new ATOM 0 HG13 ILE A1126 -2.575 9.108 -5.473 1.00 0.00 H new ATOM 0 HG21 ILE A1126 -5.043 7.393 -4.213 1.00 0.00 H new ATOM 0 HG22 ILE A1126 -5.384 6.464 -5.692 1.00 0.00 H new ATOM 0 HG23 ILE A1126 -3.708 6.642 -5.120 1.00 0.00 H new ATOM 0 HD11 ILE A1126 -3.091 11.477 -5.184 1.00 0.00 H new ATOM 0 HD12 ILE A1126 -3.555 10.932 -6.814 1.00 0.00 H new ATOM 0 HD13 ILE A1126 -4.801 11.167 -5.565 1.00 0.00 H new ATOM 930 N LEU A1127 -3.978 5.711 -7.837 1.00 0.00 N ATOM 931 CA LEU A1127 -4.476 4.427 -8.288 1.00 0.00 C ATOM 932 C LEU A1127 -4.863 3.565 -7.102 1.00 0.00 C ATOM 933 O LEU A1127 -4.093 3.422 -6.150 1.00 0.00 O ATOM 934 CB LEU A1127 -3.405 3.693 -9.097 1.00 0.00 C ATOM 935 CG LEU A1127 -2.552 4.583 -9.993 1.00 0.00 C ATOM 936 CD1 LEU A1127 -1.526 3.754 -10.753 1.00 0.00 C ATOM 937 CD2 LEU A1127 -3.433 5.366 -10.957 1.00 0.00 C ATOM 0 H LEU A1127 -3.053 5.674 -7.409 1.00 0.00 H new ATOM 0 HA LEU A1127 -5.350 4.607 -8.914 1.00 0.00 H new ATOM 0 HB2 LEU A1127 -2.749 3.163 -8.406 1.00 0.00 H new ATOM 0 HB3 LEU A1127 -3.892 2.939 -9.716 1.00 0.00 H new ATOM 0 HG LEU A1127 -2.015 5.293 -9.364 1.00 0.00 H new ATOM 0 HD11 LEU A1127 -0.927 4.408 -11.387 1.00 0.00 H new ATOM 0 HD12 LEU A1127 -0.876 3.241 -10.044 1.00 0.00 H new ATOM 0 HD13 LEU A1127 -2.039 3.019 -11.373 1.00 0.00 H new ATOM 0 HD21 LEU A1127 -2.809 5.997 -11.590 1.00 0.00 H new ATOM 0 HD22 LEU A1127 -3.997 4.672 -11.580 1.00 0.00 H new ATOM 0 HD23 LEU A1127 -4.125 5.991 -10.392 1.00 0.00 H new ATOM 949 N SER A1128 -6.057 3.005 -7.156 1.00 0.00 N ATOM 950 CA SER A1128 -6.459 1.989 -6.203 1.00 0.00 C ATOM 951 C SER A1128 -6.009 0.631 -6.715 1.00 0.00 C ATOM 952 O SER A1128 -6.269 -0.414 -6.116 1.00 0.00 O ATOM 953 CB SER A1128 -7.972 2.022 -6.008 1.00 0.00 C ATOM 954 OG SER A1128 -8.643 1.793 -7.238 1.00 0.00 O ATOM 0 H SER A1128 -6.766 3.237 -7.851 1.00 0.00 H new ATOM 0 HA SER A1128 -5.993 2.180 -5.237 1.00 0.00 H new ATOM 0 HB2 SER A1128 -8.266 1.265 -5.281 1.00 0.00 H new ATOM 0 HB3 SER A1128 -8.270 2.988 -5.600 1.00 0.00 H new ATOM 0 HG SER A1128 -9.612 1.816 -7.091 1.00 0.00 H new ATOM 960 N ASP A1129 -5.320 0.685 -7.839 1.00 0.00 N ATOM 961 CA ASP A1129 -4.806 -0.492 -8.510 1.00 0.00 C ATOM 962 C ASP A1129 -3.337 -0.672 -8.176 1.00 0.00 C ATOM 963 O ASP A1129 -2.536 0.207 -8.555 1.00 0.00 O ATOM 964 CB ASP A1129 -4.987 -0.365 -10.026 1.00 0.00 C ATOM 965 CG ASP A1129 -4.351 -1.514 -10.784 1.00 0.00 C ATOM 966 OD1 ASP A1129 -4.784 -2.667 -10.594 1.00 0.00 O ATOM 967 OD2 ASP A1129 -3.418 -1.267 -11.581 1.00 0.00 O ATOM 968 OXT ASP A1129 -2.992 -1.687 -7.545 1.00 0.00 O ATOM 0 H ASP A1129 -5.099 1.559 -8.317 1.00 0.00 H new ATOM 0 HA ASP A1129 -5.362 -1.364 -8.166 1.00 0.00 H new ATOM 0 HB2 ASP A1129 -6.051 -0.324 -10.260 1.00 0.00 H new ATOM 0 HB3 ASP A1129 -4.550 0.575 -10.364 1.00 0.00 H new TER 973 ASP A1129