USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 453 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+ 148:sc= -0.75 (180deg=-2.2!) USER MOD Single : A1074 THR OG1 : rot 149:sc= 2.2 USER MOD Single : A1076 TYR OH : rot 180:sc= 0 USER MOD Single : A1078 CYS SG : rot -105:sc= 0.567 USER MOD Single : A1079 GLN : amide:sc= 0.919 K(o=0.92,f=-0.24) USER MOD Single : A1082 ASN : amide:sc= -0.235 X(o=-0.23,f=0) USER MOD Single : A1087 THR OG1 : rot 180:sc= -0.584 USER MOD Single : A1097 THR OG1 : rot 180:sc= -0.329 USER MOD Single : A1102 GLN : amide:sc= -0.0304 K(o=-0.03,f=-1.1!) USER MOD Single : A1108 HIS : no HE2:sc= -3.14 K(o=-3.1,f=-5.5!) USER MOD Single : A1112 GLN : amide:sc= -2.09! C(o=-2.1!,f=-7.6!) USER MOD Single : A1116 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0514) USER MOD Single : A1122 SER OG : rot 180:sc= 0 USER MOD Single : A1125 HIS : no HD1:sc= 0 K(o=0,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 19 N ARG A1070 -0.298 2.588 -1.842 1.00 0.00 N ATOM 20 CA ARG A1070 -0.950 3.546 -2.726 1.00 0.00 C ATOM 21 C ARG A1070 -0.073 3.829 -3.941 1.00 0.00 C ATOM 22 O ARG A1070 1.149 3.918 -3.823 1.00 0.00 O ATOM 23 CB ARG A1070 -1.224 4.850 -1.972 1.00 0.00 C ATOM 24 CG ARG A1070 -2.133 5.809 -2.717 1.00 0.00 C ATOM 25 CD ARG A1070 -2.127 7.192 -2.086 1.00 0.00 C ATOM 26 NE ARG A1070 -2.449 7.168 -0.659 1.00 0.00 N ATOM 27 CZ ARG A1070 -3.483 7.824 -0.120 1.00 0.00 C ATOM 28 NH1 ARG A1070 -4.359 8.448 -0.903 1.00 0.00 N ATOM 29 NH2 ARG A1070 -3.655 7.829 1.193 1.00 0.00 N ATOM 0 HA ARG A1070 -1.895 3.120 -3.065 1.00 0.00 H new ATOM 0 HB2 ARG A1070 -1.673 4.613 -1.008 1.00 0.00 H new ATOM 0 HB3 ARG A1070 -0.276 5.347 -1.768 1.00 0.00 H new ATOM 0 HG2 ARG A1070 -1.812 5.882 -3.756 1.00 0.00 H new ATOM 0 HG3 ARG A1070 -3.150 5.416 -2.724 1.00 0.00 H new ATOM 0 HD2 ARG A1070 -1.145 7.645 -2.224 1.00 0.00 H new ATOM 0 HD3 ARG A1070 -2.846 7.826 -2.605 1.00 0.00 H new ATOM 0 HE ARG A1070 -1.851 6.620 -0.040 1.00 0.00 H new ATOM 0 HH11 ARG A1070 -4.243 8.427 -1.916 1.00 0.00 H new ATOM 0 HH12 ARG A1070 -5.147 8.948 -0.490 1.00 0.00 H new ATOM 0 HH21 ARG A1070 -2.999 7.332 1.795 1.00 0.00 H new ATOM 0 HH22 ARG A1070 -4.444 8.330 1.602 1.00 0.00 H new ATOM 43 N ARG A1071 -0.690 3.973 -5.106 1.00 0.00 N ATOM 44 CA ARG A1071 0.042 4.252 -6.322 1.00 0.00 C ATOM 45 C ARG A1071 -0.514 5.507 -6.969 1.00 0.00 C ATOM 46 O ARG A1071 -1.629 5.920 -6.665 1.00 0.00 O ATOM 47 CB ARG A1071 -0.061 3.072 -7.289 1.00 0.00 C ATOM 48 CG ARG A1071 0.522 1.777 -6.739 1.00 0.00 C ATOM 49 CD ARG A1071 0.429 0.633 -7.740 1.00 0.00 C ATOM 50 NE ARG A1071 -0.953 0.235 -8.010 1.00 0.00 N ATOM 51 CZ ARG A1071 -1.321 -0.535 -9.035 1.00 0.00 C ATOM 52 NH1 ARG A1071 -0.413 -1.012 -9.877 1.00 0.00 N ATOM 53 NH2 ARG A1071 -2.596 -0.843 -9.213 1.00 0.00 N ATOM 0 H ARG A1071 -1.700 3.900 -5.229 1.00 0.00 H new ATOM 0 HA ARG A1071 1.093 4.406 -6.078 1.00 0.00 H new ATOM 0 HB2 ARG A1071 -1.109 2.910 -7.540 1.00 0.00 H new ATOM 0 HB3 ARG A1071 0.453 3.327 -8.216 1.00 0.00 H new ATOM 0 HG2 ARG A1071 1.566 1.937 -6.468 1.00 0.00 H new ATOM 0 HG3 ARG A1071 -0.006 1.502 -5.826 1.00 0.00 H new ATOM 0 HD2 ARG A1071 0.907 0.932 -8.673 1.00 0.00 H new ATOM 0 HD3 ARG A1071 0.983 -0.225 -7.359 1.00 0.00 H new ATOM 0 HE ARG A1071 -1.679 0.567 -7.375 1.00 0.00 H new ATOM 0 HH11 ARG A1071 0.574 -0.790 -9.742 1.00 0.00 H new ATOM 0 HH12 ARG A1071 -0.702 -1.600 -10.659 1.00 0.00 H new ATOM 0 HH21 ARG A1071 -3.301 -0.491 -8.565 1.00 0.00 H new ATOM 0 HH22 ARG A1071 -2.874 -1.432 -9.998 1.00 0.00 H new ATOM 67 N VAL A1072 0.267 6.121 -7.831 1.00 0.00 N ATOM 68 CA VAL A1072 -0.171 7.285 -8.580 1.00 0.00 C ATOM 69 C VAL A1072 0.303 7.156 -10.026 1.00 0.00 C ATOM 70 O VAL A1072 1.322 6.522 -10.294 1.00 0.00 O ATOM 71 CB VAL A1072 0.362 8.602 -7.973 1.00 0.00 C ATOM 72 CG1 VAL A1072 -0.122 8.782 -6.543 1.00 0.00 C ATOM 73 CG2 VAL A1072 1.880 8.655 -8.029 1.00 0.00 C ATOM 0 H VAL A1072 1.223 5.830 -8.034 1.00 0.00 H new ATOM 0 HA VAL A1072 -1.259 7.323 -8.537 1.00 0.00 H new ATOM 0 HB VAL A1072 -0.032 9.423 -8.573 1.00 0.00 H new ATOM 0 HG11 VAL A1072 0.269 9.717 -6.142 1.00 0.00 H new ATOM 0 HG12 VAL A1072 -1.212 8.808 -6.528 1.00 0.00 H new ATOM 0 HG13 VAL A1072 0.229 7.950 -5.933 1.00 0.00 H new ATOM 0 HG21 VAL A1072 2.228 9.593 -7.595 1.00 0.00 H new ATOM 0 HG22 VAL A1072 2.294 7.819 -7.466 1.00 0.00 H new ATOM 0 HG23 VAL A1072 2.208 8.592 -9.066 1.00 0.00 H new ATOM 83 N LYS A1073 -0.440 7.728 -10.954 1.00 0.00 N ATOM 84 CA LYS A1073 -0.084 7.663 -12.360 1.00 0.00 C ATOM 85 C LYS A1073 -0.020 9.072 -12.918 1.00 0.00 C ATOM 86 O LYS A1073 -1.040 9.741 -13.076 1.00 0.00 O ATOM 87 CB LYS A1073 -1.103 6.804 -13.110 1.00 0.00 C ATOM 88 CG LYS A1073 -0.501 5.974 -14.228 1.00 0.00 C ATOM 89 CD LYS A1073 -0.630 6.656 -15.571 1.00 0.00 C ATOM 90 CE LYS A1073 -0.055 5.796 -16.683 1.00 0.00 C ATOM 91 NZ LYS A1073 -0.412 6.321 -18.025 1.00 0.00 N ATOM 0 H LYS A1073 -1.297 8.245 -10.759 1.00 0.00 H new ATOM 0 HA LYS A1073 0.895 7.199 -12.484 1.00 0.00 H new ATOM 0 HB2 LYS A1073 -1.595 6.138 -12.401 1.00 0.00 H new ATOM 0 HB3 LYS A1073 -1.874 7.452 -13.526 1.00 0.00 H new ATOM 0 HG2 LYS A1073 0.552 5.788 -14.015 1.00 0.00 H new ATOM 0 HG3 LYS A1073 -0.995 5.003 -14.265 1.00 0.00 H new ATOM 0 HD2 LYS A1073 -1.680 6.865 -15.776 1.00 0.00 H new ATOM 0 HD3 LYS A1073 -0.113 7.615 -15.546 1.00 0.00 H new ATOM 0 HE2 LYS A1073 1.030 5.753 -16.586 1.00 0.00 H new ATOM 0 HE3 LYS A1073 -0.424 4.776 -16.582 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 0.354 6.110 -18.696 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 -1.291 5.871 -18.351 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 -0.549 7.350 -17.970 1.00 0.00 H new ATOM 105 N THR A1074 1.190 9.517 -13.181 1.00 0.00 N ATOM 106 CA THR A1074 1.458 10.902 -13.530 1.00 0.00 C ATOM 107 C THR A1074 0.667 11.365 -14.753 1.00 0.00 C ATOM 108 O THR A1074 0.586 10.667 -15.767 1.00 0.00 O ATOM 109 CB THR A1074 2.955 11.098 -13.786 1.00 0.00 C ATOM 110 OG1 THR A1074 3.359 10.307 -14.905 1.00 0.00 O ATOM 111 CG2 THR A1074 3.757 10.686 -12.563 1.00 0.00 C ATOM 0 H THR A1074 2.022 8.928 -13.159 1.00 0.00 H new ATOM 0 HA THR A1074 1.137 11.510 -12.684 1.00 0.00 H new ATOM 0 HB THR A1074 3.140 12.152 -13.995 1.00 0.00 H new ATOM 0 HG1 THR A1074 4.095 10.754 -15.373 1.00 0.00 H new ATOM 0 HG21 THR A1074 4.819 10.831 -12.759 1.00 0.00 H new ATOM 0 HG22 THR A1074 3.459 11.296 -11.710 1.00 0.00 H new ATOM 0 HG23 THR A1074 3.569 9.636 -12.341 1.00 0.00 H new ATOM 119 N ILE A1075 0.082 12.548 -14.636 1.00 0.00 N ATOM 120 CA ILE A1075 -0.678 13.147 -15.722 1.00 0.00 C ATOM 121 C ILE A1075 -0.003 14.431 -16.197 1.00 0.00 C ATOM 122 O ILE A1075 -0.487 15.103 -17.110 1.00 0.00 O ATOM 123 CB ILE A1075 -2.133 13.445 -15.294 1.00 0.00 C ATOM 124 CG1 ILE A1075 -2.154 14.123 -13.920 1.00 0.00 C ATOM 125 CG2 ILE A1075 -2.954 12.164 -15.280 1.00 0.00 C ATOM 126 CD1 ILE A1075 -3.542 14.387 -13.380 1.00 0.00 C ATOM 0 H ILE A1075 0.121 13.117 -13.790 1.00 0.00 H new ATOM 0 HA ILE A1075 -0.705 12.430 -16.543 1.00 0.00 H new ATOM 0 HB ILE A1075 -2.580 14.127 -16.018 1.00 0.00 H new ATOM 0 HG12 ILE A1075 -1.613 13.497 -13.210 1.00 0.00 H new ATOM 0 HG13 ILE A1075 -1.616 15.069 -13.986 1.00 0.00 H new ATOM 0 HG21 ILE A1075 -3.976 12.390 -14.977 1.00 0.00 H new ATOM 0 HG22 ILE A1075 -2.960 11.725 -16.278 1.00 0.00 H new ATOM 0 HG23 ILE A1075 -2.514 11.458 -14.576 1.00 0.00 H new ATOM 0 HD11 ILE A1075 -3.468 14.868 -12.405 1.00 0.00 H new ATOM 0 HD12 ILE A1075 -4.081 15.040 -14.067 1.00 0.00 H new ATOM 0 HD13 ILE A1075 -4.079 13.444 -13.279 1.00 0.00 H new ATOM 138 N TYR A1076 1.125 14.760 -15.571 1.00 0.00 N ATOM 139 CA TYR A1076 1.894 15.950 -15.923 1.00 0.00 C ATOM 140 C TYR A1076 3.386 15.650 -15.868 1.00 0.00 C ATOM 141 O TYR A1076 3.823 14.774 -15.121 1.00 0.00 O ATOM 142 CB TYR A1076 1.562 17.113 -14.977 1.00 0.00 C ATOM 143 CG TYR A1076 0.168 17.671 -15.157 1.00 0.00 C ATOM 144 CD1 TYR A1076 -0.141 18.478 -16.244 1.00 0.00 C ATOM 145 CD2 TYR A1076 -0.842 17.383 -14.247 1.00 0.00 C ATOM 146 CE1 TYR A1076 -1.416 18.983 -16.420 1.00 0.00 C ATOM 147 CE2 TYR A1076 -2.120 17.881 -14.419 1.00 0.00 C ATOM 148 CZ TYR A1076 -2.401 18.679 -15.505 1.00 0.00 C ATOM 149 OH TYR A1076 -3.676 19.168 -15.684 1.00 0.00 O ATOM 0 H TYR A1076 1.529 14.213 -14.811 1.00 0.00 H new ATOM 0 HA TYR A1076 1.625 16.240 -16.939 1.00 0.00 H new ATOM 0 HB2 TYR A1076 1.677 16.775 -13.947 1.00 0.00 H new ATOM 0 HB3 TYR A1076 2.286 17.913 -15.133 1.00 0.00 H new ATOM 0 HD1 TYR A1076 0.628 18.715 -16.964 1.00 0.00 H new ATOM 0 HD2 TYR A1076 -0.625 16.760 -13.392 1.00 0.00 H new ATOM 0 HE1 TYR A1076 -1.639 19.612 -17.269 1.00 0.00 H new ATOM 0 HE2 TYR A1076 -2.895 17.645 -13.704 1.00 0.00 H new ATOM 0 HH TYR A1076 -4.250 18.861 -14.952 1.00 0.00 H new ATOM 159 N ASP A1077 4.154 16.364 -16.681 1.00 0.00 N ATOM 160 CA ASP A1077 5.607 16.223 -16.706 1.00 0.00 C ATOM 161 C ASP A1077 6.238 16.947 -15.525 1.00 0.00 C ATOM 162 O ASP A1077 5.888 18.090 -15.226 1.00 0.00 O ATOM 163 CB ASP A1077 6.169 16.788 -18.017 1.00 0.00 C ATOM 164 CG ASP A1077 7.687 16.810 -18.063 1.00 0.00 C ATOM 165 OD1 ASP A1077 8.297 15.757 -18.335 1.00 0.00 O ATOM 166 OD2 ASP A1077 8.280 17.884 -17.840 1.00 0.00 O ATOM 0 H ASP A1077 3.791 17.054 -17.339 1.00 0.00 H new ATOM 0 HA ASP A1077 5.849 15.162 -16.637 1.00 0.00 H new ATOM 0 HB2 ASP A1077 5.796 16.192 -18.850 1.00 0.00 H new ATOM 0 HB3 ASP A1077 5.794 17.802 -18.157 1.00 0.00 H new ATOM 171 N CYS A1078 7.162 16.280 -14.855 1.00 0.00 N ATOM 172 CA CYS A1078 7.895 16.881 -13.754 1.00 0.00 C ATOM 173 C CYS A1078 9.394 16.795 -14.009 1.00 0.00 C ATOM 174 O CYS A1078 9.946 15.701 -14.165 1.00 0.00 O ATOM 175 CB CYS A1078 7.558 16.195 -12.436 1.00 0.00 C ATOM 176 SG CYS A1078 8.478 16.826 -11.011 1.00 0.00 S ATOM 0 H CYS A1078 7.424 15.315 -15.056 1.00 0.00 H new ATOM 0 HA CYS A1078 7.601 17.928 -13.685 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.491 16.308 -12.244 1.00 0.00 H new ATOM 0 HB3 CYS A1078 7.753 15.127 -12.536 1.00 0.00 H new ATOM 0 HG CYS A1078 9.394 15.968 -10.672 1.00 0.00 H new ATOM 182 N GLN A1079 10.042 17.946 -14.061 1.00 0.00 N ATOM 183 CA GLN A1079 11.479 18.012 -14.264 1.00 0.00 C ATOM 184 C GLN A1079 12.161 18.428 -12.969 1.00 0.00 C ATOM 185 O GLN A1079 12.191 19.610 -12.623 1.00 0.00 O ATOM 186 CB GLN A1079 11.805 18.999 -15.384 1.00 0.00 C ATOM 187 CG GLN A1079 11.168 18.625 -16.711 1.00 0.00 C ATOM 188 CD GLN A1079 11.249 19.730 -17.743 1.00 0.00 C ATOM 189 OE1 GLN A1079 12.190 20.524 -17.758 1.00 0.00 O ATOM 190 NE2 GLN A1079 10.253 19.790 -18.609 1.00 0.00 N ATOM 0 H GLN A1079 9.591 18.856 -13.964 1.00 0.00 H new ATOM 0 HA GLN A1079 11.848 17.028 -14.554 1.00 0.00 H new ATOM 0 HB2 GLN A1079 11.468 19.994 -15.093 1.00 0.00 H new ATOM 0 HB3 GLN A1079 12.886 19.053 -15.509 1.00 0.00 H new ATOM 0 HG2 GLN A1079 11.657 17.734 -17.103 1.00 0.00 H new ATOM 0 HG3 GLN A1079 10.122 18.367 -16.545 1.00 0.00 H new ATOM 0 HE21 GLN A1079 9.493 19.111 -18.560 1.00 0.00 H new ATOM 0 HE22 GLN A1079 10.244 20.515 -19.326 1.00 0.00 H new ATOM 199 N ALA A1080 12.674 17.445 -12.247 1.00 0.00 N ATOM 200 CA ALA A1080 13.331 17.683 -10.970 1.00 0.00 C ATOM 201 C ALA A1080 14.592 18.515 -11.148 1.00 0.00 C ATOM 202 O ALA A1080 15.367 18.294 -12.081 1.00 0.00 O ATOM 203 CB ALA A1080 13.672 16.360 -10.302 1.00 0.00 C ATOM 0 H ALA A1080 12.648 16.464 -12.527 1.00 0.00 H new ATOM 0 HA ALA A1080 12.642 18.240 -10.335 1.00 0.00 H new ATOM 0 HB1 ALA A1080 14.163 16.550 -9.348 1.00 0.00 H new ATOM 0 HB2 ALA A1080 12.758 15.792 -10.133 1.00 0.00 H new ATOM 0 HB3 ALA A1080 14.340 15.789 -10.946 1.00 0.00 H new ATOM 209 N ASP A1081 14.781 19.480 -10.262 1.00 0.00 N ATOM 210 CA ASP A1081 15.985 20.301 -10.263 1.00 0.00 C ATOM 211 C ASP A1081 16.853 19.904 -9.086 1.00 0.00 C ATOM 212 O ASP A1081 18.070 20.089 -9.090 1.00 0.00 O ATOM 213 CB ASP A1081 15.642 21.791 -10.164 1.00 0.00 C ATOM 214 CG ASP A1081 14.763 22.276 -11.298 1.00 0.00 C ATOM 215 OD1 ASP A1081 15.292 22.533 -12.404 1.00 0.00 O ATOM 216 OD2 ASP A1081 13.541 22.404 -11.093 1.00 0.00 O ATOM 0 H ASP A1081 14.113 19.716 -9.528 1.00 0.00 H new ATOM 0 HA ASP A1081 16.516 20.137 -11.200 1.00 0.00 H new ATOM 0 HB2 ASP A1081 15.138 21.979 -9.216 1.00 0.00 H new ATOM 0 HB3 ASP A1081 16.565 22.370 -10.155 1.00 0.00 H new ATOM 221 N ASN A1082 16.200 19.365 -8.073 1.00 0.00 N ATOM 222 CA ASN A1082 16.867 18.900 -6.874 1.00 0.00 C ATOM 223 C ASN A1082 16.902 17.381 -6.872 1.00 0.00 C ATOM 224 O ASN A1082 15.977 16.731 -7.359 1.00 0.00 O ATOM 225 CB ASN A1082 16.126 19.402 -5.633 1.00 0.00 C ATOM 226 CG ASN A1082 16.042 20.914 -5.571 1.00 0.00 C ATOM 227 OD1 ASN A1082 16.894 21.573 -4.980 1.00 0.00 O ATOM 228 ND2 ASN A1082 15.015 21.476 -6.189 1.00 0.00 N ATOM 0 H ASN A1082 15.188 19.238 -8.060 1.00 0.00 H new ATOM 0 HA ASN A1082 17.886 19.288 -6.857 1.00 0.00 H new ATOM 0 HB2 ASN A1082 15.119 18.986 -5.624 1.00 0.00 H new ATOM 0 HB3 ASN A1082 16.631 19.034 -4.740 1.00 0.00 H new ATOM 0 HD21 ASN A1082 14.911 22.491 -6.185 1.00 0.00 H new ATOM 0 HD22 ASN A1082 14.328 20.894 -6.669 1.00 0.00 H new ATOM 235 N ASP A1083 17.963 16.820 -6.309 1.00 0.00 N ATOM 236 CA ASP A1083 18.161 15.372 -6.299 1.00 0.00 C ATOM 237 C ASP A1083 17.172 14.680 -5.376 1.00 0.00 C ATOM 238 O ASP A1083 17.036 13.459 -5.399 1.00 0.00 O ATOM 239 CB ASP A1083 19.587 15.023 -5.869 1.00 0.00 C ATOM 240 CG ASP A1083 20.613 15.332 -6.934 1.00 0.00 C ATOM 241 OD1 ASP A1083 20.756 14.523 -7.875 1.00 0.00 O ATOM 242 OD2 ASP A1083 21.292 16.374 -6.831 1.00 0.00 O ATOM 0 H ASP A1083 18.706 17.347 -5.850 1.00 0.00 H new ATOM 0 HA ASP A1083 17.993 15.018 -7.316 1.00 0.00 H new ATOM 0 HB2 ASP A1083 19.834 15.576 -4.962 1.00 0.00 H new ATOM 0 HB3 ASP A1083 19.637 13.963 -5.620 1.00 0.00 H new ATOM 247 N ASP A1084 16.501 15.458 -4.539 1.00 0.00 N ATOM 248 CA ASP A1084 15.496 14.911 -3.635 1.00 0.00 C ATOM 249 C ASP A1084 14.126 14.902 -4.301 1.00 0.00 C ATOM 250 O ASP A1084 13.166 14.345 -3.767 1.00 0.00 O ATOM 251 CB ASP A1084 15.459 15.704 -2.325 1.00 0.00 C ATOM 252 CG ASP A1084 16.740 15.552 -1.531 1.00 0.00 C ATOM 253 OD1 ASP A1084 16.975 14.458 -0.978 1.00 0.00 O ATOM 254 OD2 ASP A1084 17.531 16.517 -1.477 1.00 0.00 O ATOM 0 H ASP A1084 16.633 16.467 -4.466 1.00 0.00 H new ATOM 0 HA ASP A1084 15.768 13.882 -3.401 1.00 0.00 H new ATOM 0 HB2 ASP A1084 15.292 16.759 -2.545 1.00 0.00 H new ATOM 0 HB3 ASP A1084 14.616 15.367 -1.721 1.00 0.00 H new ATOM 259 N GLU A1085 14.048 15.507 -5.479 1.00 0.00 N ATOM 260 CA GLU A1085 12.823 15.512 -6.265 1.00 0.00 C ATOM 261 C GLU A1085 12.877 14.375 -7.280 1.00 0.00 C ATOM 262 O GLU A1085 13.953 13.843 -7.563 1.00 0.00 O ATOM 263 CB GLU A1085 12.658 16.846 -7.002 1.00 0.00 C ATOM 264 CG GLU A1085 12.675 18.066 -6.098 1.00 0.00 C ATOM 265 CD GLU A1085 12.638 19.365 -6.882 1.00 0.00 C ATOM 266 OE1 GLU A1085 13.541 19.585 -7.720 1.00 0.00 O ATOM 267 OE2 GLU A1085 11.721 20.177 -6.662 1.00 0.00 O ATOM 0 H GLU A1085 14.826 16.004 -5.913 1.00 0.00 H new ATOM 0 HA GLU A1085 11.973 15.378 -5.595 1.00 0.00 H new ATOM 0 HB2 GLU A1085 13.456 16.942 -7.738 1.00 0.00 H new ATOM 0 HB3 GLU A1085 11.717 16.829 -7.553 1.00 0.00 H new ATOM 0 HG2 GLU A1085 11.820 18.027 -5.423 1.00 0.00 H new ATOM 0 HG3 GLU A1085 13.571 18.044 -5.478 1.00 0.00 H new ATOM 274 N LEU A1086 11.730 14.004 -7.823 1.00 0.00 N ATOM 275 CA LEU A1086 11.675 12.934 -8.811 1.00 0.00 C ATOM 276 C LEU A1086 11.397 13.485 -10.208 1.00 0.00 C ATOM 277 O LEU A1086 10.647 14.453 -10.372 1.00 0.00 O ATOM 278 CB LEU A1086 10.602 11.910 -8.438 1.00 0.00 C ATOM 279 CG LEU A1086 10.407 10.787 -9.457 1.00 0.00 C ATOM 280 CD1 LEU A1086 11.682 9.976 -9.610 1.00 0.00 C ATOM 281 CD2 LEU A1086 9.255 9.890 -9.055 1.00 0.00 C ATOM 0 H LEU A1086 10.828 14.424 -7.600 1.00 0.00 H new ATOM 0 HA LEU A1086 12.649 12.444 -8.819 1.00 0.00 H new ATOM 0 HB2 LEU A1086 10.860 11.468 -7.476 1.00 0.00 H new ATOM 0 HB3 LEU A1086 9.653 12.430 -8.305 1.00 0.00 H new ATOM 0 HG LEU A1086 10.168 11.240 -10.419 1.00 0.00 H new ATOM 0 HD11 LEU A1086 11.523 9.182 -10.339 1.00 0.00 H new ATOM 0 HD12 LEU A1086 12.488 10.626 -9.951 1.00 0.00 H new ATOM 0 HD13 LEU A1086 11.952 9.537 -8.649 1.00 0.00 H new ATOM 0 HD21 LEU A1086 9.135 9.098 -9.795 1.00 0.00 H new ATOM 0 HD22 LEU A1086 9.461 9.448 -8.080 1.00 0.00 H new ATOM 0 HD23 LEU A1086 8.338 10.477 -9.000 1.00 0.00 H new ATOM 293 N THR A1087 11.997 12.855 -11.208 1.00 0.00 N ATOM 294 CA THR A1087 11.773 13.229 -12.590 1.00 0.00 C ATOM 295 C THR A1087 10.907 12.180 -13.274 1.00 0.00 C ATOM 296 O THR A1087 11.191 10.981 -13.219 1.00 0.00 O ATOM 297 CB THR A1087 13.098 13.389 -13.362 1.00 0.00 C ATOM 298 OG1 THR A1087 13.953 14.317 -12.686 1.00 0.00 O ATOM 299 CG2 THR A1087 12.854 13.874 -14.783 1.00 0.00 C ATOM 0 H THR A1087 12.646 12.078 -11.083 1.00 0.00 H new ATOM 0 HA THR A1087 11.264 14.193 -12.594 1.00 0.00 H new ATOM 0 HB THR A1087 13.577 12.411 -13.406 1.00 0.00 H new ATOM 0 HG1 THR A1087 14.792 14.410 -13.183 1.00 0.00 H new ATOM 0 HG21 THR A1087 13.807 13.977 -15.301 1.00 0.00 H new ATOM 0 HG22 THR A1087 12.230 13.153 -15.311 1.00 0.00 H new ATOM 0 HG23 THR A1087 12.350 14.840 -14.756 1.00 0.00 H new ATOM 307 N PHE A1088 9.845 12.645 -13.902 1.00 0.00 N ATOM 308 CA PHE A1088 8.900 11.770 -14.576 1.00 0.00 C ATOM 309 C PHE A1088 8.113 12.555 -15.619 1.00 0.00 C ATOM 310 O PHE A1088 8.028 13.780 -15.544 1.00 0.00 O ATOM 311 CB PHE A1088 7.937 11.130 -13.564 1.00 0.00 C ATOM 312 CG PHE A1088 7.177 12.118 -12.719 1.00 0.00 C ATOM 313 CD1 PHE A1088 6.093 12.812 -13.237 1.00 0.00 C ATOM 314 CD2 PHE A1088 7.542 12.347 -11.402 1.00 0.00 C ATOM 315 CE1 PHE A1088 5.392 13.713 -12.461 1.00 0.00 C ATOM 316 CE2 PHE A1088 6.843 13.246 -10.620 1.00 0.00 C ATOM 317 CZ PHE A1088 5.767 13.930 -11.150 1.00 0.00 C ATOM 0 H PHE A1088 9.611 13.636 -13.961 1.00 0.00 H new ATOM 0 HA PHE A1088 9.458 10.976 -15.072 1.00 0.00 H new ATOM 0 HB2 PHE A1088 7.224 10.507 -14.103 1.00 0.00 H new ATOM 0 HB3 PHE A1088 8.504 10.470 -12.908 1.00 0.00 H new ATOM 0 HD1 PHE A1088 5.794 12.645 -14.261 1.00 0.00 H new ATOM 0 HD2 PHE A1088 8.383 11.816 -10.982 1.00 0.00 H new ATOM 0 HE1 PHE A1088 4.552 14.247 -12.879 1.00 0.00 H new ATOM 0 HE2 PHE A1088 7.138 13.414 -9.595 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.220 14.634 -10.540 1.00 0.00 H new ATOM 327 N ILE A1089 7.546 11.852 -16.587 1.00 0.00 N ATOM 328 CA ILE A1089 6.676 12.474 -17.580 1.00 0.00 C ATOM 329 C ILE A1089 5.276 11.891 -17.458 1.00 0.00 C ATOM 330 O ILE A1089 5.076 10.928 -16.710 1.00 0.00 O ATOM 331 CB ILE A1089 7.182 12.285 -19.036 1.00 0.00 C ATOM 332 CG1 ILE A1089 7.001 10.835 -19.526 1.00 0.00 C ATOM 333 CG2 ILE A1089 8.640 12.703 -19.145 1.00 0.00 C ATOM 334 CD1 ILE A1089 7.920 9.828 -18.872 1.00 0.00 C ATOM 0 H ILE A1089 7.672 10.847 -16.708 1.00 0.00 H new ATOM 0 HA ILE A1089 6.674 13.545 -17.376 1.00 0.00 H new ATOM 0 HB ILE A1089 6.577 12.924 -19.679 1.00 0.00 H new ATOM 0 HG12 ILE A1089 5.969 10.533 -19.350 1.00 0.00 H new ATOM 0 HG13 ILE A1089 7.162 10.807 -20.604 1.00 0.00 H new ATOM 0 HG21 ILE A1089 8.982 12.565 -20.171 1.00 0.00 H new ATOM 0 HG22 ILE A1089 8.739 13.752 -18.867 1.00 0.00 H new ATOM 0 HG23 ILE A1089 9.245 12.091 -18.476 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.721 8.836 -19.278 1.00 0.00 H new ATOM 0 HD12 ILE A1089 8.957 10.100 -19.069 1.00 0.00 H new ATOM 0 HD13 ILE A1089 7.745 9.821 -17.796 1.00 0.00 H new ATOM 346 N GLU A1090 4.316 12.471 -18.172 1.00 0.00 N ATOM 347 CA GLU A1090 2.948 11.954 -18.175 1.00 0.00 C ATOM 348 C GLU A1090 2.941 10.484 -18.586 1.00 0.00 C ATOM 349 O GLU A1090 3.287 10.149 -19.717 1.00 0.00 O ATOM 350 CB GLU A1090 2.044 12.733 -19.144 1.00 0.00 C ATOM 351 CG GLU A1090 2.369 14.212 -19.285 1.00 0.00 C ATOM 352 CD GLU A1090 3.463 14.470 -20.302 1.00 0.00 C ATOM 353 OE1 GLU A1090 3.155 14.538 -21.512 1.00 0.00 O ATOM 354 OE2 GLU A1090 4.636 14.598 -19.901 1.00 0.00 O ATOM 0 H GLU A1090 4.457 13.296 -18.755 1.00 0.00 H new ATOM 0 HA GLU A1090 2.561 12.070 -17.162 1.00 0.00 H new ATOM 0 HB2 GLU A1090 2.107 12.268 -20.128 1.00 0.00 H new ATOM 0 HB3 GLU A1090 1.011 12.635 -18.811 1.00 0.00 H new ATOM 0 HG2 GLU A1090 1.469 14.752 -19.579 1.00 0.00 H new ATOM 0 HG3 GLU A1090 2.676 14.607 -18.317 1.00 0.00 H new ATOM 361 N GLY A1091 2.559 9.609 -17.671 1.00 0.00 N ATOM 362 CA GLY A1091 2.486 8.201 -17.998 1.00 0.00 C ATOM 363 C GLY A1091 3.411 7.351 -17.158 1.00 0.00 C ATOM 364 O GLY A1091 3.522 6.144 -17.376 1.00 0.00 O ATOM 0 H GLY A1091 2.299 9.845 -16.713 1.00 0.00 H new ATOM 0 HA2 GLY A1091 1.461 7.855 -17.863 1.00 0.00 H new ATOM 0 HA3 GLY A1091 2.733 8.065 -19.051 1.00 0.00 H new ATOM 368 N GLU A1092 4.073 7.970 -16.196 1.00 0.00 N ATOM 369 CA GLU A1092 4.912 7.237 -15.267 1.00 0.00 C ATOM 370 C GLU A1092 4.089 6.794 -14.075 1.00 0.00 C ATOM 371 O GLU A1092 3.395 7.599 -13.451 1.00 0.00 O ATOM 372 CB GLU A1092 6.089 8.095 -14.795 1.00 0.00 C ATOM 373 CG GLU A1092 7.147 8.331 -15.862 1.00 0.00 C ATOM 374 CD GLU A1092 7.964 7.092 -16.174 1.00 0.00 C ATOM 375 OE1 GLU A1092 7.421 6.151 -16.790 1.00 0.00 O ATOM 376 OE2 GLU A1092 9.160 7.059 -15.816 1.00 0.00 O ATOM 0 H GLU A1092 4.045 8.977 -16.039 1.00 0.00 H new ATOM 0 HA GLU A1092 5.311 6.363 -15.781 1.00 0.00 H new ATOM 0 HB2 GLU A1092 5.710 9.058 -14.454 1.00 0.00 H new ATOM 0 HB3 GLU A1092 6.555 7.614 -13.935 1.00 0.00 H new ATOM 0 HG2 GLU A1092 6.663 8.679 -16.774 1.00 0.00 H new ATOM 0 HG3 GLU A1092 7.816 9.126 -15.533 1.00 0.00 H new ATOM 383 N VAL A1093 4.137 5.514 -13.776 1.00 0.00 N ATOM 384 CA VAL A1093 3.473 5.006 -12.598 1.00 0.00 C ATOM 385 C VAL A1093 4.417 5.115 -11.417 1.00 0.00 C ATOM 386 O VAL A1093 5.545 4.631 -11.460 1.00 0.00 O ATOM 387 CB VAL A1093 3.020 3.545 -12.766 1.00 0.00 C ATOM 388 CG1 VAL A1093 2.270 3.065 -11.531 1.00 0.00 C ATOM 389 CG2 VAL A1093 2.161 3.384 -14.011 1.00 0.00 C ATOM 0 H VAL A1093 4.626 4.810 -14.329 1.00 0.00 H new ATOM 0 HA VAL A1093 2.577 5.604 -12.432 1.00 0.00 H new ATOM 0 HB VAL A1093 3.911 2.928 -12.885 1.00 0.00 H new ATOM 0 HG11 VAL A1093 1.960 2.030 -11.673 1.00 0.00 H new ATOM 0 HG12 VAL A1093 2.922 3.132 -10.660 1.00 0.00 H new ATOM 0 HG13 VAL A1093 1.390 3.689 -11.374 1.00 0.00 H new ATOM 0 HG21 VAL A1093 1.853 2.343 -14.108 1.00 0.00 H new ATOM 0 HG22 VAL A1093 1.278 4.018 -13.928 1.00 0.00 H new ATOM 0 HG23 VAL A1093 2.736 3.676 -14.890 1.00 0.00 H new ATOM 399 N ILE A1094 3.964 5.777 -10.380 1.00 0.00 N ATOM 400 CA ILE A1094 4.767 5.971 -9.192 1.00 0.00 C ATOM 401 C ILE A1094 4.104 5.298 -8.009 1.00 0.00 C ATOM 402 O ILE A1094 2.910 5.460 -7.779 1.00 0.00 O ATOM 403 CB ILE A1094 4.969 7.465 -8.864 1.00 0.00 C ATOM 404 CG1 ILE A1094 5.580 8.209 -10.049 1.00 0.00 C ATOM 405 CG2 ILE A1094 5.849 7.624 -7.630 1.00 0.00 C ATOM 406 CD1 ILE A1094 5.792 9.686 -9.785 1.00 0.00 C ATOM 0 H ILE A1094 3.035 6.195 -10.333 1.00 0.00 H new ATOM 0 HA ILE A1094 5.744 5.529 -9.388 1.00 0.00 H new ATOM 0 HB ILE A1094 3.991 7.900 -8.657 1.00 0.00 H new ATOM 0 HG12 ILE A1094 6.536 7.751 -10.302 1.00 0.00 H new ATOM 0 HG13 ILE A1094 4.931 8.092 -10.917 1.00 0.00 H new ATOM 0 HG21 ILE A1094 5.982 8.684 -7.412 1.00 0.00 H new ATOM 0 HG22 ILE A1094 5.374 7.135 -6.779 1.00 0.00 H new ATOM 0 HG23 ILE A1094 6.821 7.167 -7.815 1.00 0.00 H new ATOM 0 HD11 ILE A1094 6.229 10.154 -10.667 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.835 10.157 -9.561 1.00 0.00 H new ATOM 0 HD13 ILE A1094 6.465 9.811 -8.937 1.00 0.00 H new ATOM 418 N ILE A1095 4.867 4.530 -7.269 1.00 0.00 N ATOM 419 CA ILE A1095 4.350 3.914 -6.068 1.00 0.00 C ATOM 420 C ILE A1095 4.704 4.769 -4.867 1.00 0.00 C ATOM 421 O ILE A1095 5.884 5.005 -4.592 1.00 0.00 O ATOM 422 CB ILE A1095 4.882 2.483 -5.882 1.00 0.00 C ATOM 423 CG1 ILE A1095 4.414 1.603 -7.042 1.00 0.00 C ATOM 424 CG2 ILE A1095 4.424 1.909 -4.551 1.00 0.00 C ATOM 425 CD1 ILE A1095 4.787 0.149 -6.891 1.00 0.00 C ATOM 0 H ILE A1095 5.843 4.317 -7.474 1.00 0.00 H new ATOM 0 HA ILE A1095 3.266 3.845 -6.163 1.00 0.00 H new ATOM 0 HB ILE A1095 5.972 2.509 -5.878 1.00 0.00 H new ATOM 0 HG12 ILE A1095 3.331 1.683 -7.133 1.00 0.00 H new ATOM 0 HG13 ILE A1095 4.841 1.984 -7.970 1.00 0.00 H new ATOM 0 HG21 ILE A1095 4.811 0.896 -4.439 1.00 0.00 H new ATOM 0 HG22 ILE A1095 4.797 2.532 -3.738 1.00 0.00 H new ATOM 0 HG23 ILE A1095 3.335 1.887 -4.520 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.422 -0.412 -7.751 1.00 0.00 H new ATOM 0 HD12 ILE A1095 5.871 0.056 -6.831 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.338 -0.249 -5.981 1.00 0.00 H new ATOM 437 N VAL A1096 3.674 5.250 -4.184 1.00 0.00 N ATOM 438 CA VAL A1096 3.843 6.102 -3.020 1.00 0.00 C ATOM 439 C VAL A1096 4.416 5.303 -1.861 1.00 0.00 C ATOM 440 O VAL A1096 3.722 4.494 -1.244 1.00 0.00 O ATOM 441 CB VAL A1096 2.507 6.735 -2.582 1.00 0.00 C ATOM 442 CG1 VAL A1096 2.732 7.700 -1.432 1.00 0.00 C ATOM 443 CG2 VAL A1096 1.830 7.435 -3.751 1.00 0.00 C ATOM 0 H VAL A1096 2.701 5.060 -4.422 1.00 0.00 H new ATOM 0 HA VAL A1096 4.532 6.900 -3.299 1.00 0.00 H new ATOM 0 HB VAL A1096 1.845 5.939 -2.240 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.780 8.139 -1.134 1.00 0.00 H new ATOM 0 HG12 VAL A1096 3.165 7.165 -0.587 1.00 0.00 H new ATOM 0 HG13 VAL A1096 3.413 8.490 -1.748 1.00 0.00 H new ATOM 0 HG21 VAL A1096 0.890 7.874 -3.417 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.482 8.221 -4.132 1.00 0.00 H new ATOM 0 HG23 VAL A1096 1.633 6.712 -4.543 1.00 0.00 H new ATOM 453 N THR A1097 5.681 5.540 -1.574 1.00 0.00 N ATOM 454 CA THR A1097 6.379 4.807 -0.542 1.00 0.00 C ATOM 455 C THR A1097 6.398 5.600 0.762 1.00 0.00 C ATOM 456 O THR A1097 6.630 5.045 1.838 1.00 0.00 O ATOM 457 CB THR A1097 7.820 4.471 -0.988 1.00 0.00 C ATOM 458 OG1 THR A1097 8.510 5.665 -1.373 1.00 0.00 O ATOM 459 CG2 THR A1097 7.816 3.492 -2.158 1.00 0.00 C ATOM 0 H THR A1097 6.249 6.242 -2.048 1.00 0.00 H new ATOM 0 HA THR A1097 5.845 3.872 -0.371 1.00 0.00 H new ATOM 0 HB THR A1097 8.332 4.008 -0.144 1.00 0.00 H new ATOM 0 HG1 THR A1097 9.422 5.440 -1.652 1.00 0.00 H new ATOM 0 HG21 THR A1097 8.842 3.272 -2.452 1.00 0.00 H new ATOM 0 HG22 THR A1097 7.319 2.569 -1.859 1.00 0.00 H new ATOM 0 HG23 THR A1097 7.284 3.934 -3.000 1.00 0.00 H new ATOM 467 N GLY A1098 6.132 6.897 0.658 1.00 0.00 N ATOM 468 CA GLY A1098 6.099 7.752 1.823 1.00 0.00 C ATOM 469 C GLY A1098 5.298 9.016 1.578 1.00 0.00 C ATOM 470 O GLY A1098 4.903 9.296 0.448 1.00 0.00 O ATOM 0 H GLY A1098 5.937 7.373 -0.223 1.00 0.00 H new ATOM 0 HA2 GLY A1098 5.667 7.206 2.661 1.00 0.00 H new ATOM 0 HA3 GLY A1098 7.117 8.018 2.107 1.00 0.00 H new ATOM 474 N GLU A1099 5.065 9.778 2.631 1.00 0.00 N ATOM 475 CA GLU A1099 4.306 11.021 2.546 1.00 0.00 C ATOM 476 C GLU A1099 4.986 12.097 3.376 1.00 0.00 C ATOM 477 O GLU A1099 5.246 11.905 4.565 1.00 0.00 O ATOM 478 CB GLU A1099 2.875 10.798 3.042 1.00 0.00 C ATOM 479 CG GLU A1099 2.007 10.025 2.065 1.00 0.00 C ATOM 480 CD GLU A1099 0.761 9.453 2.710 1.00 0.00 C ATOM 481 OE1 GLU A1099 0.033 10.209 3.387 1.00 0.00 O ATOM 482 OE2 GLU A1099 0.501 8.244 2.541 1.00 0.00 O ATOM 0 H GLU A1099 5.395 9.556 3.571 1.00 0.00 H new ATOM 0 HA GLU A1099 4.269 11.345 1.506 1.00 0.00 H new ATOM 0 HB2 GLU A1099 2.907 10.261 3.990 1.00 0.00 H new ATOM 0 HB3 GLU A1099 2.413 11.765 3.239 1.00 0.00 H new ATOM 0 HG2 GLU A1099 1.717 10.682 1.245 1.00 0.00 H new ATOM 0 HG3 GLU A1099 2.591 9.213 1.631 1.00 0.00 H new ATOM 489 N GLU A1100 5.280 13.220 2.742 1.00 0.00 N ATOM 490 CA GLU A1100 5.976 14.312 3.404 1.00 0.00 C ATOM 491 C GLU A1100 4.999 15.369 3.870 1.00 0.00 C ATOM 492 O GLU A1100 4.980 15.753 5.040 1.00 0.00 O ATOM 493 CB GLU A1100 6.984 14.954 2.455 1.00 0.00 C ATOM 494 CG GLU A1100 8.250 14.154 2.284 1.00 0.00 C ATOM 495 CD GLU A1100 9.040 14.069 3.570 1.00 0.00 C ATOM 496 OE1 GLU A1100 9.657 15.084 3.958 1.00 0.00 O ATOM 497 OE2 GLU A1100 9.033 13.000 4.211 1.00 0.00 O ATOM 0 H GLU A1100 5.047 13.400 1.766 1.00 0.00 H new ATOM 0 HA GLU A1100 6.497 13.898 4.268 1.00 0.00 H new ATOM 0 HB2 GLU A1100 6.516 15.090 1.480 1.00 0.00 H new ATOM 0 HB3 GLU A1100 7.239 15.946 2.827 1.00 0.00 H new ATOM 0 HG2 GLU A1100 8.001 13.149 1.943 1.00 0.00 H new ATOM 0 HG3 GLU A1100 8.866 14.610 1.509 1.00 0.00 H new ATOM 504 N ASP A1101 4.180 15.824 2.942 1.00 0.00 N ATOM 505 CA ASP A1101 3.304 16.953 3.190 1.00 0.00 C ATOM 506 C ASP A1101 1.953 16.725 2.519 1.00 0.00 C ATOM 507 O ASP A1101 1.657 15.613 2.082 1.00 0.00 O ATOM 508 CB ASP A1101 3.956 18.237 2.657 1.00 0.00 C ATOM 509 CG ASP A1101 3.518 19.481 3.404 1.00 0.00 C ATOM 510 OD1 ASP A1101 2.407 19.983 3.137 1.00 0.00 O ATOM 511 OD2 ASP A1101 4.287 19.961 4.262 1.00 0.00 O ATOM 0 H ASP A1101 4.103 15.427 2.005 1.00 0.00 H new ATOM 0 HA ASP A1101 3.144 17.056 4.263 1.00 0.00 H new ATOM 0 HB2 ASP A1101 5.040 18.142 2.725 1.00 0.00 H new ATOM 0 HB3 ASP A1101 3.712 18.350 1.601 1.00 0.00 H new ATOM 516 N GLN A1102 1.153 17.771 2.416 1.00 0.00 N ATOM 517 CA GLN A1102 -0.159 17.687 1.795 1.00 0.00 C ATOM 518 C GLN A1102 -0.012 17.548 0.286 1.00 0.00 C ATOM 519 O GLN A1102 -0.792 16.865 -0.378 1.00 0.00 O ATOM 520 CB GLN A1102 -0.962 18.949 2.126 1.00 0.00 C ATOM 521 CG GLN A1102 -2.292 19.039 1.404 1.00 0.00 C ATOM 522 CD GLN A1102 -2.923 20.412 1.519 1.00 0.00 C ATOM 523 OE1 GLN A1102 -2.228 21.426 1.627 1.00 0.00 O ATOM 524 NE2 GLN A1102 -4.241 20.455 1.483 1.00 0.00 N ATOM 0 H GLN A1102 1.393 18.701 2.759 1.00 0.00 H new ATOM 0 HA GLN A1102 -0.684 16.813 2.180 1.00 0.00 H new ATOM 0 HB2 GLN A1102 -1.140 18.983 3.201 1.00 0.00 H new ATOM 0 HB3 GLN A1102 -0.364 19.825 1.875 1.00 0.00 H new ATOM 0 HG2 GLN A1102 -2.147 18.796 0.351 1.00 0.00 H new ATOM 0 HG3 GLN A1102 -2.975 18.294 1.812 1.00 0.00 H new ATOM 0 HE21 GLN A1102 -4.777 19.592 1.393 1.00 0.00 H new ATOM 0 HE22 GLN A1102 -4.724 21.351 1.545 1.00 0.00 H new ATOM 533 N GLU A1103 1.022 18.181 -0.243 1.00 0.00 N ATOM 534 CA GLU A1103 1.199 18.282 -1.677 1.00 0.00 C ATOM 535 C GLU A1103 2.509 17.650 -2.109 1.00 0.00 C ATOM 536 O GLU A1103 2.922 17.768 -3.263 1.00 0.00 O ATOM 537 CB GLU A1103 1.147 19.751 -2.103 1.00 0.00 C ATOM 538 CG GLU A1103 1.943 20.668 -1.186 1.00 0.00 C ATOM 539 CD GLU A1103 1.959 22.106 -1.656 1.00 0.00 C ATOM 540 OE1 GLU A1103 0.934 22.798 -1.495 1.00 0.00 O ATOM 541 OE2 GLU A1103 2.999 22.550 -2.186 1.00 0.00 O ATOM 0 H GLU A1103 1.754 18.634 0.305 1.00 0.00 H new ATOM 0 HA GLU A1103 0.389 17.740 -2.166 1.00 0.00 H new ATOM 0 HB2 GLU A1103 1.530 19.842 -3.119 1.00 0.00 H new ATOM 0 HB3 GLU A1103 0.108 20.080 -2.123 1.00 0.00 H new ATOM 0 HG2 GLU A1103 1.521 20.624 -0.182 1.00 0.00 H new ATOM 0 HG3 GLU A1103 2.968 20.303 -1.117 1.00 0.00 H new ATOM 548 N TRP A1104 3.143 16.956 -1.181 1.00 0.00 N ATOM 549 CA TRP A1104 4.448 16.365 -1.432 1.00 0.00 C ATOM 550 C TRP A1104 4.520 14.961 -0.866 1.00 0.00 C ATOM 551 O TRP A1104 4.564 14.771 0.350 1.00 0.00 O ATOM 552 CB TRP A1104 5.558 17.228 -0.828 1.00 0.00 C ATOM 553 CG TRP A1104 5.677 18.569 -1.481 1.00 0.00 C ATOM 554 CD1 TRP A1104 5.088 19.733 -1.082 1.00 0.00 C ATOM 555 CD2 TRP A1104 6.423 18.876 -2.661 1.00 0.00 C ATOM 556 NE1 TRP A1104 5.415 20.747 -1.952 1.00 0.00 N ATOM 557 CE2 TRP A1104 6.239 20.245 -2.927 1.00 0.00 C ATOM 558 CE3 TRP A1104 7.226 18.125 -3.521 1.00 0.00 C ATOM 559 CZ2 TRP A1104 6.837 20.878 -4.014 1.00 0.00 C ATOM 560 CZ3 TRP A1104 7.818 18.752 -4.598 1.00 0.00 C ATOM 561 CH2 TRP A1104 7.619 20.116 -4.839 1.00 0.00 C ATOM 0 H TRP A1104 2.776 16.787 -0.245 1.00 0.00 H new ATOM 0 HA TRP A1104 4.591 16.315 -2.511 1.00 0.00 H new ATOM 0 HB2 TRP A1104 5.366 17.364 0.236 1.00 0.00 H new ATOM 0 HB3 TRP A1104 6.508 16.702 -0.916 1.00 0.00 H new ATOM 0 HD1 TRP A1104 4.458 19.842 -0.212 1.00 0.00 H new ATOM 0 HE1 TRP A1104 5.097 21.714 -1.883 1.00 0.00 H new ATOM 0 HE3 TRP A1104 7.381 17.071 -3.346 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 6.689 21.932 -4.199 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 8.445 18.181 -5.266 1.00 0.00 H new ATOM 0 HH2 TRP A1104 8.092 20.577 -5.694 1.00 0.00 H new ATOM 572 N TRP A1105 4.502 13.982 -1.749 1.00 0.00 N ATOM 573 CA TRP A1105 4.624 12.596 -1.346 1.00 0.00 C ATOM 574 C TRP A1105 5.963 12.041 -1.804 1.00 0.00 C ATOM 575 O TRP A1105 6.634 12.636 -2.646 1.00 0.00 O ATOM 576 CB TRP A1105 3.476 11.761 -1.921 1.00 0.00 C ATOM 577 CG TRP A1105 2.132 12.094 -1.331 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.873 12.974 -0.317 1.00 0.00 C ATOM 579 CD2 TRP A1105 0.867 11.542 -1.712 1.00 0.00 C ATOM 580 NE1 TRP A1105 0.529 13.001 -0.046 1.00 0.00 N ATOM 581 CE2 TRP A1105 -0.112 12.133 -0.887 1.00 0.00 C ATOM 582 CE3 TRP A1105 0.464 10.611 -2.670 1.00 0.00 C ATOM 583 CZ2 TRP A1105 -1.465 11.814 -0.994 1.00 0.00 C ATOM 584 CZ3 TRP A1105 -0.874 10.296 -2.773 1.00 0.00 C ATOM 585 CH2 TRP A1105 -1.826 10.899 -1.941 1.00 0.00 C ATOM 0 H TRP A1105 4.404 14.122 -2.754 1.00 0.00 H new ATOM 0 HA TRP A1105 4.570 12.543 -0.259 1.00 0.00 H new ATOM 0 HB2 TRP A1105 3.436 11.909 -3.000 1.00 0.00 H new ATOM 0 HB3 TRP A1105 3.686 10.705 -1.751 1.00 0.00 H new ATOM 0 HD1 TRP A1105 2.619 13.563 0.196 1.00 0.00 H new ATOM 0 HE1 TRP A1105 0.080 13.575 0.667 1.00 0.00 H new ATOM 0 HE3 TRP A1105 1.189 10.145 -3.321 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 -2.201 12.274 -0.351 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 -1.194 9.572 -3.508 1.00 0.00 H new ATOM 0 HH2 TRP A1105 -2.867 10.635 -2.051 1.00 0.00 H new ATOM 596 N ILE A1106 6.349 10.915 -1.236 1.00 0.00 N ATOM 597 CA ILE A1106 7.588 10.248 -1.595 1.00 0.00 C ATOM 598 C ILE A1106 7.262 8.924 -2.252 1.00 0.00 C ATOM 599 O ILE A1106 6.400 8.185 -1.779 1.00 0.00 O ATOM 600 CB ILE A1106 8.489 9.994 -0.366 1.00 0.00 C ATOM 601 CG1 ILE A1106 8.928 11.315 0.252 1.00 0.00 C ATOM 602 CG2 ILE A1106 9.705 9.159 -0.750 1.00 0.00 C ATOM 603 CD1 ILE A1106 9.740 11.146 1.517 1.00 0.00 C ATOM 0 H ILE A1106 5.813 10.436 -0.512 1.00 0.00 H new ATOM 0 HA ILE A1106 8.133 10.899 -2.278 1.00 0.00 H new ATOM 0 HB ILE A1106 7.911 9.438 0.372 1.00 0.00 H new ATOM 0 HG12 ILE A1106 9.517 11.871 -0.477 1.00 0.00 H new ATOM 0 HG13 ILE A1106 8.045 11.915 0.473 1.00 0.00 H new ATOM 0 HG21 ILE A1106 10.325 8.993 0.131 1.00 0.00 H new ATOM 0 HG22 ILE A1106 9.376 8.199 -1.149 1.00 0.00 H new ATOM 0 HG23 ILE A1106 10.285 9.687 -1.507 1.00 0.00 H new ATOM 0 HD11 ILE A1106 10.019 12.126 1.904 1.00 0.00 H new ATOM 0 HD12 ILE A1106 9.146 10.617 2.263 1.00 0.00 H new ATOM 0 HD13 ILE A1106 10.641 10.572 1.297 1.00 0.00 H new ATOM 615 N GLY A1107 7.921 8.633 -3.347 1.00 0.00 N ATOM 616 CA GLY A1107 7.654 7.403 -4.035 1.00 0.00 C ATOM 617 C GLY A1107 8.767 7.019 -4.963 1.00 0.00 C ATOM 618 O GLY A1107 9.826 7.642 -4.969 1.00 0.00 O ATOM 0 H GLY A1107 8.635 9.224 -3.773 1.00 0.00 H new ATOM 0 HA2 GLY A1107 7.500 6.607 -3.306 1.00 0.00 H new ATOM 0 HA3 GLY A1107 6.728 7.499 -4.602 1.00 0.00 H new ATOM 622 N HIS A1108 8.512 6.007 -5.759 1.00 0.00 N ATOM 623 CA HIS A1108 9.497 5.509 -6.703 1.00 0.00 C ATOM 624 C HIS A1108 8.834 5.236 -8.045 1.00 0.00 C ATOM 625 O HIS A1108 7.636 4.950 -8.101 1.00 0.00 O ATOM 626 CB HIS A1108 10.197 4.236 -6.169 1.00 0.00 C ATOM 627 CG HIS A1108 9.336 3.006 -6.008 1.00 0.00 C ATOM 628 ND1 HIS A1108 9.430 2.167 -4.922 1.00 0.00 N ATOM 629 CD2 HIS A1108 8.424 2.436 -6.829 1.00 0.00 C ATOM 630 CE1 HIS A1108 8.620 1.138 -5.087 1.00 0.00 C ATOM 631 NE2 HIS A1108 7.997 1.275 -6.240 1.00 0.00 N ATOM 0 H HIS A1108 7.624 5.506 -5.774 1.00 0.00 H new ATOM 0 HA HIS A1108 10.264 6.273 -6.834 1.00 0.00 H new ATOM 0 HB2 HIS A1108 11.018 3.991 -6.843 1.00 0.00 H new ATOM 0 HB3 HIS A1108 10.639 4.471 -5.201 1.00 0.00 H new ATOM 0 HD1 HIS A1108 10.033 2.317 -4.113 1.00 0.00 H new ATOM 0 HD2 HIS A1108 8.092 2.827 -7.779 1.00 0.00 H new ATOM 0 HE1 HIS A1108 8.490 0.321 -4.393 1.00 0.00 H new ATOM 640 N ILE A1109 9.600 5.334 -9.116 1.00 0.00 N ATOM 641 CA ILE A1109 9.102 4.993 -10.440 1.00 0.00 C ATOM 642 C ILE A1109 8.925 3.486 -10.555 1.00 0.00 C ATOM 643 O ILE A1109 9.807 2.717 -10.176 1.00 0.00 O ATOM 644 CB ILE A1109 10.053 5.495 -11.547 1.00 0.00 C ATOM 645 CG1 ILE A1109 10.051 7.026 -11.589 1.00 0.00 C ATOM 646 CG2 ILE A1109 9.668 4.922 -12.911 1.00 0.00 C ATOM 647 CD1 ILE A1109 8.720 7.624 -11.996 1.00 0.00 C ATOM 0 H ILE A1109 10.571 5.647 -9.097 1.00 0.00 H new ATOM 0 HA ILE A1109 8.139 5.486 -10.574 1.00 0.00 H new ATOM 0 HB ILE A1109 11.059 5.148 -11.313 1.00 0.00 H new ATOM 0 HG12 ILE A1109 10.325 7.408 -10.605 1.00 0.00 H new ATOM 0 HG13 ILE A1109 10.818 7.362 -12.286 1.00 0.00 H new ATOM 0 HG21 ILE A1109 10.357 5.294 -13.670 1.00 0.00 H new ATOM 0 HG22 ILE A1109 9.720 3.834 -12.876 1.00 0.00 H new ATOM 0 HG23 ILE A1109 8.652 5.229 -13.161 1.00 0.00 H new ATOM 0 HD11 ILE A1109 8.797 8.711 -12.003 1.00 0.00 H new ATOM 0 HD12 ILE A1109 8.453 7.273 -12.993 1.00 0.00 H new ATOM 0 HD13 ILE A1109 7.952 7.319 -11.286 1.00 0.00 H new ATOM 659 N GLU A1110 7.764 3.078 -11.045 1.00 0.00 N ATOM 660 CA GLU A1110 7.457 1.673 -11.248 1.00 0.00 C ATOM 661 C GLU A1110 8.418 1.079 -12.271 1.00 0.00 C ATOM 662 O GLU A1110 8.635 1.652 -13.341 1.00 0.00 O ATOM 663 CB GLU A1110 6.011 1.533 -11.729 1.00 0.00 C ATOM 664 CG GLU A1110 5.233 0.419 -11.050 1.00 0.00 C ATOM 665 CD GLU A1110 5.814 -0.948 -11.324 1.00 0.00 C ATOM 666 OE1 GLU A1110 5.508 -1.521 -12.390 1.00 0.00 O ATOM 667 OE2 GLU A1110 6.580 -1.455 -10.478 1.00 0.00 O ATOM 0 H GLU A1110 7.010 3.711 -11.312 1.00 0.00 H new ATOM 0 HA GLU A1110 7.571 1.133 -10.308 1.00 0.00 H new ATOM 0 HB2 GLU A1110 5.492 2.477 -11.563 1.00 0.00 H new ATOM 0 HB3 GLU A1110 6.013 1.356 -12.804 1.00 0.00 H new ATOM 0 HG2 GLU A1110 5.219 0.594 -9.974 1.00 0.00 H new ATOM 0 HG3 GLU A1110 4.198 0.444 -11.391 1.00 0.00 H new ATOM 674 N GLY A1111 8.996 -0.063 -11.938 1.00 0.00 N ATOM 675 CA GLY A1111 9.976 -0.679 -12.804 1.00 0.00 C ATOM 676 C GLY A1111 11.394 -0.314 -12.413 1.00 0.00 C ATOM 677 O GLY A1111 12.285 -1.161 -12.439 1.00 0.00 O ATOM 0 H GLY A1111 8.802 -0.577 -11.078 1.00 0.00 H new ATOM 0 HA2 GLY A1111 9.859 -1.762 -12.770 1.00 0.00 H new ATOM 0 HA3 GLY A1111 9.794 -0.371 -13.833 1.00 0.00 H new ATOM 681 N GLN A1112 11.610 0.938 -12.030 1.00 0.00 N ATOM 682 CA GLN A1112 12.932 1.381 -11.608 1.00 0.00 C ATOM 683 C GLN A1112 12.863 2.062 -10.245 1.00 0.00 C ATOM 684 O GLN A1112 12.658 3.274 -10.145 1.00 0.00 O ATOM 685 CB GLN A1112 13.554 2.319 -12.649 1.00 0.00 C ATOM 686 CG GLN A1112 14.962 2.785 -12.294 1.00 0.00 C ATOM 687 CD GLN A1112 15.961 1.645 -12.163 1.00 0.00 C ATOM 688 OE1 GLN A1112 15.611 0.519 -11.806 1.00 0.00 O ATOM 689 NE2 GLN A1112 17.219 1.933 -12.438 1.00 0.00 N ATOM 0 H GLN A1112 10.891 1.661 -12.003 1.00 0.00 H new ATOM 0 HA GLN A1112 13.570 0.502 -11.520 1.00 0.00 H new ATOM 0 HB2 GLN A1112 13.582 1.810 -13.612 1.00 0.00 H new ATOM 0 HB3 GLN A1112 12.912 3.192 -12.768 1.00 0.00 H new ATOM 0 HG2 GLN A1112 15.311 3.478 -13.060 1.00 0.00 H new ATOM 0 HG3 GLN A1112 14.928 3.338 -11.355 1.00 0.00 H new ATOM 0 HE21 GLN A1112 17.474 2.876 -12.731 1.00 0.00 H new ATOM 0 HE22 GLN A1112 17.936 1.212 -12.358 1.00 0.00 H new ATOM 698 N PRO A1113 13.060 1.283 -9.171 1.00 0.00 N ATOM 699 CA PRO A1113 12.955 1.771 -7.799 1.00 0.00 C ATOM 700 C PRO A1113 14.179 2.571 -7.376 1.00 0.00 C ATOM 701 O PRO A1113 14.298 2.979 -6.225 1.00 0.00 O ATOM 702 CB PRO A1113 12.838 0.490 -6.955 1.00 0.00 C ATOM 703 CG PRO A1113 12.829 -0.652 -7.922 1.00 0.00 C ATOM 704 CD PRO A1113 13.414 -0.137 -9.204 1.00 0.00 C ATOM 0 HA PRO A1113 12.110 2.449 -7.679 1.00 0.00 H new ATOM 0 HB2 PRO A1113 13.674 0.405 -6.260 1.00 0.00 H new ATOM 0 HB3 PRO A1113 11.927 0.500 -6.357 1.00 0.00 H new ATOM 0 HG2 PRO A1113 13.414 -1.488 -7.538 1.00 0.00 H new ATOM 0 HG3 PRO A1113 11.814 -1.018 -8.079 1.00 0.00 H new ATOM 0 HD2 PRO A1113 14.493 -0.285 -9.245 1.00 0.00 H new ATOM 0 HD3 PRO A1113 12.990 -0.640 -10.073 1.00 0.00 H new ATOM 712 N GLU A1114 15.097 2.779 -8.309 1.00 0.00 N ATOM 713 CA GLU A1114 16.272 3.596 -8.050 1.00 0.00 C ATOM 714 C GLU A1114 15.968 5.063 -8.339 1.00 0.00 C ATOM 715 O GLU A1114 16.700 5.958 -7.911 1.00 0.00 O ATOM 716 CB GLU A1114 17.460 3.121 -8.882 1.00 0.00 C ATOM 717 CG GLU A1114 17.791 1.654 -8.669 1.00 0.00 C ATOM 718 CD GLU A1114 19.150 1.275 -9.210 1.00 0.00 C ATOM 719 OE1 GLU A1114 19.370 1.404 -10.432 1.00 0.00 O ATOM 720 OE2 GLU A1114 20.010 0.844 -8.414 1.00 0.00 O ATOM 0 H GLU A1114 15.050 2.393 -9.252 1.00 0.00 H new ATOM 0 HA GLU A1114 16.536 3.494 -6.997 1.00 0.00 H new ATOM 0 HB2 GLU A1114 17.246 3.289 -9.938 1.00 0.00 H new ATOM 0 HB3 GLU A1114 18.334 3.724 -8.634 1.00 0.00 H new ATOM 0 HG2 GLU A1114 17.754 1.429 -7.603 1.00 0.00 H new ATOM 0 HG3 GLU A1114 17.029 1.041 -9.151 1.00 0.00 H new ATOM 727 N ARG A1115 14.884 5.305 -9.067 1.00 0.00 N ATOM 728 CA ARG A1115 14.429 6.663 -9.320 1.00 0.00 C ATOM 729 C ARG A1115 13.300 6.989 -8.354 1.00 0.00 C ATOM 730 O ARG A1115 12.134 6.687 -8.619 1.00 0.00 O ATOM 731 CB ARG A1115 13.936 6.825 -10.763 1.00 0.00 C ATOM 732 CG ARG A1115 14.286 8.166 -11.384 1.00 0.00 C ATOM 733 CD ARG A1115 13.479 8.419 -12.648 1.00 0.00 C ATOM 734 NE ARG A1115 13.512 7.282 -13.564 1.00 0.00 N ATOM 735 CZ ARG A1115 12.513 6.962 -14.392 1.00 0.00 C ATOM 736 NH1 ARG A1115 11.432 7.733 -14.468 1.00 0.00 N ATOM 737 NH2 ARG A1115 12.599 5.881 -15.155 1.00 0.00 N ATOM 0 H ARG A1115 14.306 4.579 -9.491 1.00 0.00 H new ATOM 0 HA ARG A1115 15.265 7.347 -9.173 1.00 0.00 H new ATOM 0 HB2 ARG A1115 14.363 6.030 -11.374 1.00 0.00 H new ATOM 0 HB3 ARG A1115 12.854 6.697 -10.784 1.00 0.00 H new ATOM 0 HG2 ARG A1115 14.097 8.962 -10.664 1.00 0.00 H new ATOM 0 HG3 ARG A1115 15.350 8.194 -11.618 1.00 0.00 H new ATOM 0 HD2 ARG A1115 12.445 8.636 -12.379 1.00 0.00 H new ATOM 0 HD3 ARG A1115 13.869 9.302 -13.154 1.00 0.00 H new ATOM 0 HE ARG A1115 14.348 6.697 -13.572 1.00 0.00 H new ATOM 0 HH11 ARG A1115 11.363 8.573 -13.893 1.00 0.00 H new ATOM 0 HH12 ARG A1115 10.672 7.485 -15.101 1.00 0.00 H new ATOM 0 HH21 ARG A1115 13.430 5.291 -15.111 1.00 0.00 H new ATOM 0 HH22 ARG A1115 11.835 5.640 -15.786 1.00 0.00 H new ATOM 751 N LYS A1116 13.649 7.571 -7.219 1.00 0.00 N ATOM 752 CA LYS A1116 12.663 7.898 -6.199 1.00 0.00 C ATOM 753 C LYS A1116 12.768 9.358 -5.814 1.00 0.00 C ATOM 754 O LYS A1116 13.648 10.074 -6.291 1.00 0.00 O ATOM 755 CB LYS A1116 12.860 7.053 -4.940 1.00 0.00 C ATOM 756 CG LYS A1116 13.078 5.580 -5.200 1.00 0.00 C ATOM 757 CD LYS A1116 13.015 4.774 -3.909 1.00 0.00 C ATOM 758 CE LYS A1116 14.143 5.132 -2.953 1.00 0.00 C ATOM 759 NZ LYS A1116 15.473 4.714 -3.465 1.00 0.00 N ATOM 0 H LYS A1116 14.607 7.827 -6.979 1.00 0.00 H new ATOM 0 HA LYS A1116 11.681 7.688 -6.622 1.00 0.00 H new ATOM 0 HB2 LYS A1116 13.715 7.442 -4.387 1.00 0.00 H new ATOM 0 HB3 LYS A1116 11.986 7.170 -4.299 1.00 0.00 H new ATOM 0 HG2 LYS A1116 12.322 5.216 -5.896 1.00 0.00 H new ATOM 0 HG3 LYS A1116 14.047 5.432 -5.676 1.00 0.00 H new ATOM 0 HD2 LYS A1116 12.057 4.949 -3.420 1.00 0.00 H new ATOM 0 HD3 LYS A1116 13.063 3.711 -4.144 1.00 0.00 H new ATOM 0 HE2 LYS A1116 14.144 6.209 -2.783 1.00 0.00 H new ATOM 0 HE3 LYS A1116 13.962 4.658 -1.988 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 16.193 4.871 -2.731 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 15.447 3.705 -3.715 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 15.712 5.273 -4.309 1.00 0.00 H new ATOM 773 N GLY A1117 11.873 9.790 -4.947 1.00 0.00 N ATOM 774 CA GLY A1117 11.966 11.125 -4.410 1.00 0.00 C ATOM 775 C GLY A1117 10.612 11.701 -4.094 1.00 0.00 C ATOM 776 O GLY A1117 9.619 10.970 -4.041 1.00 0.00 O ATOM 0 H GLY A1117 11.084 9.241 -4.605 1.00 0.00 H new ATOM 0 HA2 GLY A1117 12.574 11.110 -3.505 1.00 0.00 H new ATOM 0 HA3 GLY A1117 12.476 11.769 -5.126 1.00 0.00 H new ATOM 780 N VAL A1118 10.570 13.003 -3.868 1.00 0.00 N ATOM 781 CA VAL A1118 9.316 13.683 -3.601 1.00 0.00 C ATOM 782 C VAL A1118 8.666 14.127 -4.901 1.00 0.00 C ATOM 783 O VAL A1118 9.348 14.512 -5.856 1.00 0.00 O ATOM 784 CB VAL A1118 9.496 14.902 -2.669 1.00 0.00 C ATOM 785 CG1 VAL A1118 10.011 14.457 -1.310 1.00 0.00 C ATOM 786 CG2 VAL A1118 10.426 15.939 -3.285 1.00 0.00 C ATOM 0 H VAL A1118 11.390 13.609 -3.864 1.00 0.00 H new ATOM 0 HA VAL A1118 8.670 12.968 -3.092 1.00 0.00 H new ATOM 0 HB VAL A1118 8.521 15.371 -2.536 1.00 0.00 H new ATOM 0 HG11 VAL A1118 10.133 15.327 -0.664 1.00 0.00 H new ATOM 0 HG12 VAL A1118 9.298 13.767 -0.859 1.00 0.00 H new ATOM 0 HG13 VAL A1118 10.972 13.957 -1.431 1.00 0.00 H new ATOM 0 HG21 VAL A1118 10.531 16.784 -2.604 1.00 0.00 H new ATOM 0 HG22 VAL A1118 11.404 15.491 -3.462 1.00 0.00 H new ATOM 0 HG23 VAL A1118 10.009 16.285 -4.231 1.00 0.00 H new ATOM 796 N PHE A1119 7.351 14.047 -4.937 1.00 0.00 N ATOM 797 CA PHE A1119 6.594 14.459 -6.098 1.00 0.00 C ATOM 798 C PHE A1119 5.316 15.170 -5.677 1.00 0.00 C ATOM 799 O PHE A1119 4.626 14.737 -4.747 1.00 0.00 O ATOM 800 CB PHE A1119 6.286 13.259 -7.012 1.00 0.00 C ATOM 801 CG PHE A1119 5.623 12.082 -6.337 1.00 0.00 C ATOM 802 CD1 PHE A1119 6.364 11.192 -5.576 1.00 0.00 C ATOM 803 CD2 PHE A1119 4.266 11.842 -6.497 1.00 0.00 C ATOM 804 CE1 PHE A1119 5.769 10.096 -4.988 1.00 0.00 C ATOM 805 CE2 PHE A1119 3.666 10.745 -5.902 1.00 0.00 C ATOM 806 CZ PHE A1119 4.422 9.871 -5.148 1.00 0.00 C ATOM 0 H PHE A1119 6.782 13.697 -4.167 1.00 0.00 H new ATOM 0 HA PHE A1119 7.201 15.161 -6.669 1.00 0.00 H new ATOM 0 HB2 PHE A1119 5.644 13.599 -7.825 1.00 0.00 H new ATOM 0 HB3 PHE A1119 7.218 12.919 -7.463 1.00 0.00 H new ATOM 0 HD1 PHE A1119 7.422 11.359 -5.442 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.671 12.518 -7.092 1.00 0.00 H new ATOM 0 HE1 PHE A1119 6.363 9.412 -4.400 1.00 0.00 H new ATOM 0 HE2 PHE A1119 2.607 10.574 -6.028 1.00 0.00 H new ATOM 0 HZ PHE A1119 3.957 9.013 -4.685 1.00 0.00 H new ATOM 816 N PRO A1120 5.018 16.303 -6.328 1.00 0.00 N ATOM 817 CA PRO A1120 3.800 17.063 -6.072 1.00 0.00 C ATOM 818 C PRO A1120 2.552 16.269 -6.447 1.00 0.00 C ATOM 819 O PRO A1120 2.411 15.797 -7.578 1.00 0.00 O ATOM 820 CB PRO A1120 3.938 18.309 -6.951 1.00 0.00 C ATOM 821 CG PRO A1120 4.959 17.964 -7.978 1.00 0.00 C ATOM 822 CD PRO A1120 5.862 16.935 -7.357 1.00 0.00 C ATOM 0 HA PRO A1120 3.686 17.305 -5.015 1.00 0.00 H new ATOM 0 HB2 PRO A1120 2.987 18.568 -7.416 1.00 0.00 H new ATOM 0 HB3 PRO A1120 4.250 19.171 -6.362 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.486 17.572 -8.878 1.00 0.00 H new ATOM 0 HG3 PRO A1120 5.524 18.847 -8.274 1.00 0.00 H new ATOM 0 HD2 PRO A1120 6.207 16.209 -8.093 1.00 0.00 H new ATOM 0 HD3 PRO A1120 6.750 17.393 -6.921 1.00 0.00 H new ATOM 830 N VAL A1121 1.659 16.131 -5.479 1.00 0.00 N ATOM 831 CA VAL A1121 0.458 15.314 -5.625 1.00 0.00 C ATOM 832 C VAL A1121 -0.448 15.830 -6.746 1.00 0.00 C ATOM 833 O VAL A1121 -1.157 15.061 -7.394 1.00 0.00 O ATOM 834 CB VAL A1121 -0.331 15.277 -4.298 1.00 0.00 C ATOM 835 CG1 VAL A1121 -1.442 14.247 -4.344 1.00 0.00 C ATOM 836 CG2 VAL A1121 0.602 14.993 -3.134 1.00 0.00 C ATOM 0 H VAL A1121 1.744 16.582 -4.568 1.00 0.00 H new ATOM 0 HA VAL A1121 0.781 14.307 -5.887 1.00 0.00 H new ATOM 0 HB VAL A1121 -0.787 16.257 -4.155 1.00 0.00 H new ATOM 0 HG11 VAL A1121 -1.977 14.247 -3.395 1.00 0.00 H new ATOM 0 HG12 VAL A1121 -2.133 14.493 -5.150 1.00 0.00 H new ATOM 0 HG13 VAL A1121 -1.016 13.259 -4.520 1.00 0.00 H new ATOM 0 HG21 VAL A1121 0.030 14.970 -2.206 1.00 0.00 H new ATOM 0 HG22 VAL A1121 1.088 14.029 -3.284 1.00 0.00 H new ATOM 0 HG23 VAL A1121 1.358 15.776 -3.075 1.00 0.00 H new ATOM 846 N SER A1122 -0.394 17.131 -6.997 1.00 0.00 N ATOM 847 CA SER A1122 -1.248 17.762 -7.997 1.00 0.00 C ATOM 848 C SER A1122 -0.768 17.474 -9.429 1.00 0.00 C ATOM 849 O SER A1122 -1.280 18.049 -10.392 1.00 0.00 O ATOM 850 CB SER A1122 -1.281 19.268 -7.747 1.00 0.00 C ATOM 851 OG SER A1122 -1.522 19.545 -6.377 1.00 0.00 O ATOM 0 H SER A1122 0.236 17.775 -6.519 1.00 0.00 H new ATOM 0 HA SER A1122 -2.250 17.343 -7.903 1.00 0.00 H new ATOM 0 HB2 SER A1122 -0.334 19.713 -8.052 1.00 0.00 H new ATOM 0 HB3 SER A1122 -2.059 19.726 -8.358 1.00 0.00 H new ATOM 0 HG SER A1122 -1.538 20.515 -6.237 1.00 0.00 H new ATOM 857 N PHE A1123 0.218 16.590 -9.564 1.00 0.00 N ATOM 858 CA PHE A1123 0.748 16.221 -10.875 1.00 0.00 C ATOM 859 C PHE A1123 0.429 14.771 -11.210 1.00 0.00 C ATOM 860 O PHE A1123 0.756 14.288 -12.298 1.00 0.00 O ATOM 861 CB PHE A1123 2.268 16.423 -10.918 1.00 0.00 C ATOM 862 CG PHE A1123 2.699 17.837 -11.179 1.00 0.00 C ATOM 863 CD1 PHE A1123 2.401 18.851 -10.286 1.00 0.00 C ATOM 864 CD2 PHE A1123 3.412 18.144 -12.324 1.00 0.00 C ATOM 865 CE1 PHE A1123 2.806 20.148 -10.532 1.00 0.00 C ATOM 866 CE2 PHE A1123 3.819 19.437 -12.576 1.00 0.00 C ATOM 867 CZ PHE A1123 3.515 20.442 -11.679 1.00 0.00 C ATOM 0 H PHE A1123 0.667 16.115 -8.781 1.00 0.00 H new ATOM 0 HA PHE A1123 0.272 16.867 -11.613 1.00 0.00 H new ATOM 0 HB2 PHE A1123 2.693 16.096 -9.969 1.00 0.00 H new ATOM 0 HB3 PHE A1123 2.686 15.780 -11.693 1.00 0.00 H new ATOM 0 HD1 PHE A1123 1.846 18.626 -9.387 1.00 0.00 H new ATOM 0 HD2 PHE A1123 3.653 17.362 -13.029 1.00 0.00 H new ATOM 0 HE1 PHE A1123 2.568 20.931 -9.828 1.00 0.00 H new ATOM 0 HE2 PHE A1123 4.375 19.664 -13.474 1.00 0.00 H new ATOM 0 HZ PHE A1123 3.831 21.456 -11.875 1.00 0.00 H new ATOM 877 N VAL A1124 -0.213 14.068 -10.289 1.00 0.00 N ATOM 878 CA VAL A1124 -0.412 12.639 -10.454 1.00 0.00 C ATOM 879 C VAL A1124 -1.883 12.250 -10.361 1.00 0.00 C ATOM 880 O VAL A1124 -2.680 12.921 -9.709 1.00 0.00 O ATOM 881 CB VAL A1124 0.399 11.835 -9.415 1.00 0.00 C ATOM 882 CG1 VAL A1124 1.887 12.118 -9.558 1.00 0.00 C ATOM 883 CG2 VAL A1124 -0.070 12.143 -7.999 1.00 0.00 C ATOM 0 H VAL A1124 -0.600 14.459 -9.430 1.00 0.00 H new ATOM 0 HA VAL A1124 -0.055 12.393 -11.454 1.00 0.00 H new ATOM 0 HB VAL A1124 0.230 10.775 -9.605 1.00 0.00 H new ATOM 0 HG11 VAL A1124 2.440 11.541 -8.816 1.00 0.00 H new ATOM 0 HG12 VAL A1124 2.217 11.835 -10.558 1.00 0.00 H new ATOM 0 HG13 VAL A1124 2.072 13.181 -9.403 1.00 0.00 H new ATOM 0 HG21 VAL A1124 0.518 11.564 -7.287 1.00 0.00 H new ATOM 0 HG22 VAL A1124 0.059 13.206 -7.796 1.00 0.00 H new ATOM 0 HG23 VAL A1124 -1.123 11.880 -7.899 1.00 0.00 H new ATOM 893 N HIS A1125 -2.227 11.167 -11.043 1.00 0.00 N ATOM 894 CA HIS A1125 -3.567 10.606 -10.991 1.00 0.00 C ATOM 895 C HIS A1125 -3.546 9.360 -10.106 1.00 0.00 C ATOM 896 O HIS A1125 -3.110 8.293 -10.534 1.00 0.00 O ATOM 897 CB HIS A1125 -4.033 10.253 -12.407 1.00 0.00 C ATOM 898 CG HIS A1125 -5.515 10.340 -12.609 1.00 0.00 C ATOM 899 ND1 HIS A1125 -6.089 11.089 -13.613 1.00 0.00 N ATOM 900 CD2 HIS A1125 -6.538 9.749 -11.954 1.00 0.00 C ATOM 901 CE1 HIS A1125 -7.398 10.955 -13.565 1.00 0.00 C ATOM 902 NE2 HIS A1125 -7.701 10.143 -12.568 1.00 0.00 N ATOM 0 H HIS A1125 -1.585 10.654 -11.647 1.00 0.00 H new ATOM 0 HA HIS A1125 -4.263 11.333 -10.571 1.00 0.00 H new ATOM 0 HB2 HIS A1125 -3.542 10.920 -13.115 1.00 0.00 H new ATOM 0 HB3 HIS A1125 -3.705 9.241 -12.643 1.00 0.00 H new ATOM 0 HD2 HIS A1125 -6.456 9.088 -11.104 1.00 0.00 H new ATOM 0 HE1 HIS A1125 -8.105 11.429 -14.229 1.00 0.00 H new ATOM 0 HE2 HIS A1125 -8.642 9.856 -12.299 1.00 0.00 H new ATOM 911 N ILE A1126 -4.007 9.516 -8.878 1.00 0.00 N ATOM 912 CA ILE A1126 -3.874 8.493 -7.841 1.00 0.00 C ATOM 913 C ILE A1126 -4.685 7.235 -8.135 1.00 0.00 C ATOM 914 O ILE A1126 -5.820 7.299 -8.612 1.00 0.00 O ATOM 915 CB ILE A1126 -4.306 9.067 -6.475 1.00 0.00 C ATOM 916 CG1 ILE A1126 -3.456 10.293 -6.140 1.00 0.00 C ATOM 917 CG2 ILE A1126 -4.200 8.016 -5.374 1.00 0.00 C ATOM 918 CD1 ILE A1126 -3.836 10.955 -4.843 1.00 0.00 C ATOM 0 H ILE A1126 -4.488 10.359 -8.564 1.00 0.00 H new ATOM 0 HA ILE A1126 -2.823 8.206 -7.822 1.00 0.00 H new ATOM 0 HB ILE A1126 -5.352 9.366 -6.539 1.00 0.00 H new ATOM 0 HG12 ILE A1126 -2.408 9.996 -6.093 1.00 0.00 H new ATOM 0 HG13 ILE A1126 -3.546 11.019 -6.948 1.00 0.00 H new ATOM 0 HG21 ILE A1126 -4.511 8.451 -4.424 1.00 0.00 H new ATOM 0 HG22 ILE A1126 -4.845 7.171 -5.614 1.00 0.00 H new ATOM 0 HG23 ILE A1126 -3.168 7.674 -5.296 1.00 0.00 H new ATOM 0 HD11 ILE A1126 -3.191 11.817 -4.671 1.00 0.00 H new ATOM 0 HD12 ILE A1126 -4.874 11.283 -4.893 1.00 0.00 H new ATOM 0 HD13 ILE A1126 -3.719 10.245 -4.024 1.00 0.00 H new ATOM 930 N LEU A1127 -4.070 6.096 -7.847 1.00 0.00 N ATOM 931 CA LEU A1127 -4.730 4.805 -7.902 1.00 0.00 C ATOM 932 C LEU A1127 -4.969 4.329 -6.479 1.00 0.00 C ATOM 933 O LEU A1127 -4.013 4.032 -5.756 1.00 0.00 O ATOM 934 CB LEU A1127 -3.863 3.759 -8.619 1.00 0.00 C ATOM 935 CG LEU A1127 -2.877 4.295 -9.655 1.00 0.00 C ATOM 936 CD1 LEU A1127 -2.039 3.160 -10.224 1.00 0.00 C ATOM 937 CD2 LEU A1127 -3.609 5.021 -10.772 1.00 0.00 C ATOM 0 H LEU A1127 -3.091 6.045 -7.567 1.00 0.00 H new ATOM 0 HA LEU A1127 -5.664 4.918 -8.452 1.00 0.00 H new ATOM 0 HB2 LEU A1127 -3.302 3.205 -7.866 1.00 0.00 H new ATOM 0 HB3 LEU A1127 -4.524 3.046 -9.112 1.00 0.00 H new ATOM 0 HG LEU A1127 -2.215 5.006 -9.161 1.00 0.00 H new ATOM 0 HD11 LEU A1127 -1.341 3.557 -10.961 1.00 0.00 H new ATOM 0 HD12 LEU A1127 -1.483 2.680 -9.419 1.00 0.00 H new ATOM 0 HD13 LEU A1127 -2.692 2.429 -10.700 1.00 0.00 H new ATOM 0 HD21 LEU A1127 -2.887 5.394 -11.498 1.00 0.00 H new ATOM 0 HD22 LEU A1127 -4.296 4.333 -11.264 1.00 0.00 H new ATOM 0 HD23 LEU A1127 -4.170 5.858 -10.356 1.00 0.00 H new