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+ -157:sc= -0.18 (180deg=-0.851) USER MOD Single : A1074 THR OG1 : rot 158:sc= 2.13 USER MOD Single : A1076 TYR OH : rot 180:sc= 0 USER MOD Single : A1078 CYS SG : rot -99:sc= 0.12 USER MOD Single : A1079 GLN : amide:sc= 0.887 K(o=0.89,f=0) USER MOD Single : A1082 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1087 THR OG1 : rot 180:sc= -0.356 USER MOD Single : A1097 THR OG1 : rot 180:sc= -1.45! USER MOD Single : A1102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1108 HIS : no HE2:sc= -4.76! C(o=-4.8!,f=-5!) USER MOD Single : A1112 GLN : amide:sc= 0.317 K(o=0.32,f=-2.6!) USER MOD Single : A1116 LYS NZ :NH3+ 161:sc= -0.276 (180deg=-0.855) USER MOD Single : A1122 SER OG : rot 180:sc= 0.0103 USER MOD Single : A1125 HIS : no HD1:sc= 0 K(o=0,f=-1.1) USER MOD Single : A1128 SER OG : rot 180:sc= 0.00715 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A1069 -2.704 -1.049 -1.383 1.00 0.00 N ATOM 2 CA VAL A1069 -1.674 -0.518 -2.305 1.00 0.00 C ATOM 3 C VAL A1069 -1.845 0.985 -2.489 1.00 0.00 C ATOM 4 O VAL A1069 -2.906 1.537 -2.191 1.00 0.00 O ATOM 5 CB VAL A1069 -1.728 -1.214 -3.681 1.00 0.00 C ATOM 6 CG1 VAL A1069 -1.382 -2.689 -3.552 1.00 0.00 C ATOM 7 CG2 VAL A1069 -3.097 -1.043 -4.313 1.00 0.00 C ATOM 0 HA VAL A1069 -0.702 -0.722 -1.855 1.00 0.00 H new ATOM 0 HB VAL A1069 -0.988 -0.744 -4.329 1.00 0.00 H new ATOM 0 HG11 VAL A1069 -1.426 -3.160 -4.534 1.00 0.00 H new ATOM 0 HG12 VAL A1069 -0.376 -2.793 -3.145 1.00 0.00 H new ATOM 0 HG13 VAL A1069 -2.095 -3.173 -2.885 1.00 0.00 H new ATOM 0 HG21 VAL A1069 -3.115 -1.541 -5.283 1.00 0.00 H new ATOM 0 HG22 VAL A1069 -3.855 -1.484 -3.665 1.00 0.00 H new ATOM 0 HG23 VAL A1069 -3.306 0.018 -4.446 1.00 0.00 H new ATOM 19 N ARG A1070 -0.805 1.641 -2.976 1.00 0.00 N ATOM 20 CA ARG A1070 -0.810 3.089 -3.114 1.00 0.00 C ATOM 21 C ARG A1070 0.059 3.515 -4.296 1.00 0.00 C ATOM 22 O ARG A1070 1.284 3.588 -4.180 1.00 0.00 O ATOM 23 CB ARG A1070 -0.287 3.717 -1.820 1.00 0.00 C ATOM 24 CG ARG A1070 -0.374 5.234 -1.769 1.00 0.00 C ATOM 25 CD ARG A1070 -1.805 5.718 -1.604 1.00 0.00 C ATOM 26 NE ARG A1070 -1.860 7.059 -1.013 1.00 0.00 N ATOM 27 CZ ARG A1070 -1.498 7.340 0.243 1.00 0.00 C ATOM 28 NH1 ARG A1070 -1.124 6.367 1.069 1.00 0.00 N ATOM 29 NH2 ARG A1070 -1.549 8.590 0.683 1.00 0.00 N ATOM 0 H ARG A1070 0.058 1.192 -3.284 1.00 0.00 H new ATOM 0 HA ARG A1070 -1.828 3.430 -3.300 1.00 0.00 H new ATOM 0 HB2 ARG A1070 -0.848 3.306 -0.980 1.00 0.00 H new ATOM 0 HB3 ARG A1070 0.753 3.422 -1.684 1.00 0.00 H new ATOM 0 HG2 ARG A1070 0.231 5.604 -0.941 1.00 0.00 H new ATOM 0 HG3 ARG A1070 0.047 5.652 -2.684 1.00 0.00 H new ATOM 0 HD2 ARG A1070 -2.300 5.728 -2.575 1.00 0.00 H new ATOM 0 HD3 ARG A1070 -2.355 5.020 -0.973 1.00 0.00 H new ATOM 0 HE ARG A1070 -2.195 7.825 -1.597 1.00 0.00 H new ATOM 0 HH11 ARG A1070 -1.112 5.400 0.745 1.00 0.00 H new ATOM 0 HH12 ARG A1070 -0.849 6.588 2.026 1.00 0.00 H new ATOM 0 HH21 ARG A1070 -1.864 9.336 0.063 1.00 0.00 H new ATOM 0 HH22 ARG A1070 -1.273 8.805 1.641 1.00 0.00 H new ATOM 43 N ARG A1071 -0.570 3.792 -5.434 1.00 0.00 N ATOM 44 CA ARG A1071 0.157 4.191 -6.622 1.00 0.00 C ATOM 45 C ARG A1071 -0.479 5.432 -7.222 1.00 0.00 C ATOM 46 O ARG A1071 -1.651 5.718 -6.976 1.00 0.00 O ATOM 47 CB ARG A1071 0.166 3.071 -7.664 1.00 0.00 C ATOM 48 CG ARG A1071 0.685 1.740 -7.139 1.00 0.00 C ATOM 49 CD ARG A1071 0.860 0.721 -8.256 1.00 0.00 C ATOM 50 NE ARG A1071 -0.342 0.579 -9.080 1.00 0.00 N ATOM 51 CZ ARG A1071 -1.256 -0.381 -8.921 1.00 0.00 C ATOM 52 NH1 ARG A1071 -1.111 -1.293 -7.968 1.00 0.00 N ATOM 53 NH2 ARG A1071 -2.302 -0.437 -9.735 1.00 0.00 N ATOM 0 H ARG A1071 -1.582 3.746 -5.553 1.00 0.00 H new ATOM 0 HA ARG A1071 1.186 4.405 -6.334 1.00 0.00 H new ATOM 0 HB2 ARG A1071 -0.847 2.931 -8.040 1.00 0.00 H new ATOM 0 HB3 ARG A1071 0.780 3.381 -8.510 1.00 0.00 H new ATOM 0 HG2 ARG A1071 1.639 1.895 -6.636 1.00 0.00 H new ATOM 0 HG3 ARG A1071 -0.008 1.348 -6.395 1.00 0.00 H new ATOM 0 HD2 ARG A1071 1.696 1.020 -8.888 1.00 0.00 H new ATOM 0 HD3 ARG A1071 1.117 -0.246 -7.824 1.00 0.00 H new ATOM 0 HE ARG A1071 -0.491 1.259 -9.825 1.00 0.00 H new ATOM 0 HH11 ARG A1071 -0.298 -1.263 -7.353 1.00 0.00 H new ATOM 0 HH12 ARG A1071 -1.812 -2.024 -7.851 1.00 0.00 H new ATOM 0 HH21 ARG A1071 -2.406 0.252 -10.480 1.00 0.00 H new ATOM 0 HH22 ARG A1071 -3.002 -1.169 -9.616 1.00 0.00 H new ATOM 67 N VAL A1072 0.299 6.169 -7.990 1.00 0.00 N ATOM 68 CA VAL A1072 -0.189 7.356 -8.667 1.00 0.00 C ATOM 69 C VAL A1072 0.216 7.322 -10.140 1.00 0.00 C ATOM 70 O VAL A1072 1.235 6.731 -10.503 1.00 0.00 O ATOM 71 CB VAL A1072 0.347 8.647 -8.011 1.00 0.00 C ATOM 72 CG1 VAL A1072 -0.103 8.745 -6.563 1.00 0.00 C ATOM 73 CG2 VAL A1072 1.861 8.710 -8.096 1.00 0.00 C ATOM 0 H VAL A1072 1.283 5.964 -8.162 1.00 0.00 H new ATOM 0 HA VAL A1072 -1.276 7.361 -8.584 1.00 0.00 H new ATOM 0 HB VAL A1072 -0.064 9.495 -8.559 1.00 0.00 H new ATOM 0 HG11 VAL A1072 0.287 9.662 -6.122 1.00 0.00 H new ATOM 0 HG12 VAL A1072 -1.192 8.756 -6.520 1.00 0.00 H new ATOM 0 HG13 VAL A1072 0.273 7.887 -6.006 1.00 0.00 H new ATOM 0 HG21 VAL A1072 2.214 9.629 -7.627 1.00 0.00 H new ATOM 0 HG22 VAL A1072 2.290 7.851 -7.580 1.00 0.00 H new ATOM 0 HG23 VAL A1072 2.168 8.696 -9.142 1.00 0.00 H new ATOM 83 N LYS A1073 -0.596 7.936 -10.981 1.00 0.00 N ATOM 84 CA LYS A1073 -0.339 7.987 -12.410 1.00 0.00 C ATOM 85 C LYS A1073 -0.119 9.423 -12.838 1.00 0.00 C ATOM 86 O LYS A1073 -1.070 10.184 -12.959 1.00 0.00 O ATOM 87 CB LYS A1073 -1.524 7.396 -13.169 1.00 0.00 C ATOM 88 CG LYS A1073 -1.247 7.144 -14.634 1.00 0.00 C ATOM 89 CD LYS A1073 -0.038 6.251 -14.797 1.00 0.00 C ATOM 90 CE LYS A1073 0.026 5.641 -16.187 1.00 0.00 C ATOM 91 NZ LYS A1073 -1.203 4.865 -16.499 1.00 0.00 N ATOM 0 H LYS A1073 -1.451 8.413 -10.694 1.00 0.00 H new ATOM 0 HA LYS A1073 0.555 7.405 -12.635 1.00 0.00 H new ATOM 0 HB2 LYS A1073 -1.814 6.457 -12.697 1.00 0.00 H new ATOM 0 HB3 LYS A1073 -2.374 8.073 -13.081 1.00 0.00 H new ATOM 0 HG2 LYS A1073 -2.116 6.679 -15.100 1.00 0.00 H new ATOM 0 HG3 LYS A1073 -1.079 8.091 -15.147 1.00 0.00 H new ATOM 0 HD2 LYS A1073 0.868 6.827 -14.610 1.00 0.00 H new ATOM 0 HD3 LYS A1073 -0.069 5.456 -14.052 1.00 0.00 H new ATOM 0 HE2 LYS A1073 0.156 6.431 -16.926 1.00 0.00 H new ATOM 0 HE3 LYS A1073 0.897 4.990 -16.260 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 -0.993 4.165 -17.239 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 -1.531 4.375 -15.642 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 -1.946 5.511 -16.835 1.00 0.00 H new ATOM 105 N THR A1074 1.128 9.785 -13.052 1.00 0.00 N ATOM 106 CA THR A1074 1.486 11.156 -13.380 1.00 0.00 C ATOM 107 C THR A1074 0.693 11.669 -14.584 1.00 0.00 C ATOM 108 O THR A1074 0.566 10.983 -15.600 1.00 0.00 O ATOM 109 CB THR A1074 2.992 11.265 -13.660 1.00 0.00 C ATOM 110 OG1 THR A1074 3.328 10.505 -14.822 1.00 0.00 O ATOM 111 CG2 THR A1074 3.791 10.742 -12.478 1.00 0.00 C ATOM 0 H THR A1074 1.921 9.145 -13.005 1.00 0.00 H new ATOM 0 HA THR A1074 1.236 11.777 -12.520 1.00 0.00 H new ATOM 0 HB THR A1074 3.235 12.315 -13.823 1.00 0.00 H new ATOM 0 HG1 THR A1074 4.165 10.843 -15.203 1.00 0.00 H new ATOM 0 HG21 THR A1074 4.856 10.826 -12.693 1.00 0.00 H new ATOM 0 HG22 THR A1074 3.552 11.327 -11.590 1.00 0.00 H new ATOM 0 HG23 THR A1074 3.538 9.696 -12.302 1.00 0.00 H new ATOM 119 N ILE A1075 0.138 12.864 -14.450 1.00 0.00 N ATOM 120 CA ILE A1075 -0.674 13.454 -15.507 1.00 0.00 C ATOM 121 C ILE A1075 -0.065 14.762 -16.002 1.00 0.00 C ATOM 122 O ILE A1075 -0.530 15.349 -16.980 1.00 0.00 O ATOM 123 CB ILE A1075 -2.126 13.695 -15.037 1.00 0.00 C ATOM 124 CG1 ILE A1075 -2.143 14.411 -13.681 1.00 0.00 C ATOM 125 CG2 ILE A1075 -2.884 12.375 -14.960 1.00 0.00 C ATOM 126 CD1 ILE A1075 -3.530 14.624 -13.117 1.00 0.00 C ATOM 0 H ILE A1075 0.235 13.446 -13.618 1.00 0.00 H new ATOM 0 HA ILE A1075 -0.693 12.742 -16.332 1.00 0.00 H new ATOM 0 HB ILE A1075 -2.624 14.336 -15.765 1.00 0.00 H new ATOM 0 HG12 ILE A1075 -1.557 13.831 -12.968 1.00 0.00 H new ATOM 0 HG13 ILE A1075 -1.652 15.378 -13.786 1.00 0.00 H new ATOM 0 HG21 ILE A1075 -3.905 12.561 -14.627 1.00 0.00 H new ATOM 0 HG22 ILE A1075 -2.902 11.908 -15.945 1.00 0.00 H new ATOM 0 HG23 ILE A1075 -2.387 11.711 -14.253 1.00 0.00 H new ATOM 0 HD11 ILE A1075 -3.458 15.136 -12.157 1.00 0.00 H new ATOM 0 HD12 ILE A1075 -4.115 15.230 -13.809 1.00 0.00 H new ATOM 0 HD13 ILE A1075 -4.018 13.659 -12.978 1.00 0.00 H new ATOM 138 N TYR A1076 0.987 15.205 -15.325 1.00 0.00 N ATOM 139 CA TYR A1076 1.703 16.416 -15.711 1.00 0.00 C ATOM 140 C TYR A1076 3.206 16.156 -15.706 1.00 0.00 C ATOM 141 O TYR A1076 3.707 15.401 -14.872 1.00 0.00 O ATOM 142 CB TYR A1076 1.385 17.567 -14.752 1.00 0.00 C ATOM 143 CG TYR A1076 -0.054 18.043 -14.776 1.00 0.00 C ATOM 144 CD1 TYR A1076 -0.505 18.918 -15.758 1.00 0.00 C ATOM 145 CD2 TYR A1076 -0.954 17.633 -13.802 1.00 0.00 C ATOM 146 CE1 TYR A1076 -1.814 19.371 -15.763 1.00 0.00 C ATOM 147 CE2 TYR A1076 -2.263 18.078 -13.805 1.00 0.00 C ATOM 148 CZ TYR A1076 -2.687 18.946 -14.783 1.00 0.00 C ATOM 149 OH TYR A1076 -3.987 19.398 -14.775 1.00 0.00 O ATOM 0 H TYR A1076 1.366 14.740 -14.500 1.00 0.00 H new ATOM 0 HA TYR A1076 1.381 16.695 -16.714 1.00 0.00 H new ATOM 0 HB2 TYR A1076 1.631 17.253 -13.738 1.00 0.00 H new ATOM 0 HB3 TYR A1076 2.034 18.409 -14.991 1.00 0.00 H new ATOM 0 HD1 TYR A1076 0.175 19.249 -16.528 1.00 0.00 H new ATOM 0 HD2 TYR A1076 -0.626 16.955 -13.028 1.00 0.00 H new ATOM 0 HE1 TYR A1076 -2.149 20.053 -16.530 1.00 0.00 H new ATOM 0 HE2 TYR A1076 -2.950 17.745 -13.041 1.00 0.00 H new ATOM 0 HH TYR A1076 -4.467 19.000 -14.019 1.00 0.00 H new ATOM 159 N ASP A1077 3.907 16.767 -16.655 1.00 0.00 N ATOM 160 CA ASP A1077 5.365 16.683 -16.729 1.00 0.00 C ATOM 161 C ASP A1077 6.010 17.307 -15.496 1.00 0.00 C ATOM 162 O ASP A1077 5.647 18.417 -15.091 1.00 0.00 O ATOM 163 CB ASP A1077 5.864 17.403 -17.987 1.00 0.00 C ATOM 164 CG ASP A1077 7.377 17.498 -18.061 1.00 0.00 C ATOM 165 OD1 ASP A1077 8.015 16.516 -18.493 1.00 0.00 O ATOM 166 OD2 ASP A1077 7.934 18.563 -17.699 1.00 0.00 O ATOM 0 H ASP A1077 3.485 17.332 -17.392 1.00 0.00 H new ATOM 0 HA ASP A1077 5.645 15.630 -16.772 1.00 0.00 H new ATOM 0 HB2 ASP A1077 5.496 16.878 -18.868 1.00 0.00 H new ATOM 0 HB3 ASP A1077 5.442 18.407 -18.015 1.00 0.00 H new ATOM 171 N CYS A1078 6.960 16.596 -14.903 1.00 0.00 N ATOM 172 CA CYS A1078 7.697 17.104 -13.755 1.00 0.00 C ATOM 173 C CYS A1078 9.192 16.870 -13.940 1.00 0.00 C ATOM 174 O CYS A1078 9.711 15.793 -13.632 1.00 0.00 O ATOM 175 CB CYS A1078 7.222 16.446 -12.467 1.00 0.00 C ATOM 176 SG CYS A1078 8.084 17.000 -10.975 1.00 0.00 S ATOM 0 H CYS A1078 7.239 15.661 -15.200 1.00 0.00 H new ATOM 0 HA CYS A1078 7.511 18.175 -13.682 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.156 16.639 -12.348 1.00 0.00 H new ATOM 0 HB3 CYS A1078 7.342 15.367 -12.560 1.00 0.00 H new ATOM 0 HG CYS A1078 9.006 16.139 -10.662 1.00 0.00 H new ATOM 182 N GLN A1079 9.875 17.874 -14.459 1.00 0.00 N ATOM 183 CA GLN A1079 11.315 17.817 -14.623 1.00 0.00 C ATOM 184 C GLN A1079 12.001 18.420 -13.400 1.00 0.00 C ATOM 185 O GLN A1079 12.165 19.636 -13.285 1.00 0.00 O ATOM 186 CB GLN A1079 11.737 18.511 -15.921 1.00 0.00 C ATOM 187 CG GLN A1079 11.088 19.866 -16.136 1.00 0.00 C ATOM 188 CD GLN A1079 11.263 20.369 -17.549 1.00 0.00 C ATOM 189 OE1 GLN A1079 12.233 21.060 -17.859 1.00 0.00 O ATOM 190 NE2 GLN A1079 10.330 20.017 -18.419 1.00 0.00 N ATOM 0 H GLN A1079 9.451 18.746 -14.776 1.00 0.00 H new ATOM 0 HA GLN A1079 11.629 16.776 -14.701 1.00 0.00 H new ATOM 0 HB2 GLN A1079 12.820 18.635 -15.919 1.00 0.00 H new ATOM 0 HB3 GLN A1079 11.491 17.864 -16.763 1.00 0.00 H new ATOM 0 HG2 GLN A1079 10.025 19.797 -15.907 1.00 0.00 H new ATOM 0 HG3 GLN A1079 11.518 20.587 -15.441 1.00 0.00 H new ATOM 0 HE21 GLN A1079 9.543 19.443 -18.118 1.00 0.00 H new ATOM 0 HE22 GLN A1079 10.398 20.320 -19.391 1.00 0.00 H new ATOM 199 N ALA A1080 12.359 17.537 -12.484 1.00 0.00 N ATOM 200 CA ALA A1080 12.918 17.904 -11.186 1.00 0.00 C ATOM 201 C ALA A1080 14.159 18.783 -11.298 1.00 0.00 C ATOM 202 O ALA A1080 15.011 18.584 -12.168 1.00 0.00 O ATOM 203 CB ALA A1080 13.261 16.645 -10.416 1.00 0.00 C ATOM 0 H ALA A1080 12.270 16.530 -12.619 1.00 0.00 H new ATOM 0 HA ALA A1080 12.160 18.487 -10.662 1.00 0.00 H new ATOM 0 HB1 ALA A1080 13.679 16.914 -9.446 1.00 0.00 H new ATOM 0 HB2 ALA A1080 12.359 16.051 -10.270 1.00 0.00 H new ATOM 0 HB3 ALA A1080 13.992 16.063 -10.977 1.00 0.00 H new ATOM 209 N ASP A1081 14.255 19.743 -10.388 1.00 0.00 N ATOM 210 CA ASP A1081 15.420 20.614 -10.303 1.00 0.00 C ATOM 211 C ASP A1081 16.342 20.122 -9.200 1.00 0.00 C ATOM 212 O ASP A1081 17.566 20.230 -9.294 1.00 0.00 O ATOM 213 CB ASP A1081 14.999 22.061 -10.028 1.00 0.00 C ATOM 214 CG ASP A1081 16.189 22.990 -9.889 1.00 0.00 C ATOM 215 OD1 ASP A1081 16.859 23.263 -10.908 1.00 0.00 O ATOM 216 OD2 ASP A1081 16.471 23.440 -8.758 1.00 0.00 O ATOM 0 H ASP A1081 13.534 19.939 -9.693 1.00 0.00 H new ATOM 0 HA ASP A1081 15.947 20.588 -11.257 1.00 0.00 H new ATOM 0 HB2 ASP A1081 14.360 22.411 -10.839 1.00 0.00 H new ATOM 0 HB3 ASP A1081 14.404 22.097 -9.115 1.00 0.00 H new ATOM 221 N ASN A1082 15.741 19.586 -8.152 1.00 0.00 N ATOM 222 CA ASN A1082 16.486 18.994 -7.053 1.00 0.00 C ATOM 223 C ASN A1082 16.726 17.516 -7.314 1.00 0.00 C ATOM 224 O ASN A1082 16.033 16.898 -8.122 1.00 0.00 O ATOM 225 CB ASN A1082 15.715 19.156 -5.743 1.00 0.00 C ATOM 226 CG ASN A1082 15.818 20.550 -5.163 1.00 0.00 C ATOM 227 OD1 ASN A1082 15.035 21.439 -5.500 1.00 0.00 O ATOM 228 ND2 ASN A1082 16.771 20.746 -4.268 1.00 0.00 N ATOM 0 H ASN A1082 14.728 19.548 -8.038 1.00 0.00 H new ATOM 0 HA ASN A1082 17.445 19.507 -6.974 1.00 0.00 H new ATOM 0 HB2 ASN A1082 14.665 18.917 -5.914 1.00 0.00 H new ATOM 0 HB3 ASN A1082 16.092 18.437 -5.015 1.00 0.00 H new ATOM 0 HD21 ASN A1082 16.878 21.660 -3.829 1.00 0.00 H new ATOM 0 HD22 ASN A1082 17.399 19.983 -4.017 1.00 0.00 H new ATOM 235 N ASP A1083 17.719 16.960 -6.631 1.00 0.00 N ATOM 236 CA ASP A1083 18.010 15.532 -6.716 1.00 0.00 C ATOM 237 C ASP A1083 16.998 14.735 -5.912 1.00 0.00 C ATOM 238 O ASP A1083 16.785 13.550 -6.160 1.00 0.00 O ATOM 239 CB ASP A1083 19.420 15.223 -6.201 1.00 0.00 C ATOM 240 CG ASP A1083 20.508 15.820 -7.064 1.00 0.00 C ATOM 241 OD1 ASP A1083 20.782 15.271 -8.148 1.00 0.00 O ATOM 242 OD2 ASP A1083 21.108 16.838 -6.654 1.00 0.00 O ATOM 0 H ASP A1083 18.340 17.478 -6.009 1.00 0.00 H new ATOM 0 HA ASP A1083 17.948 15.246 -7.766 1.00 0.00 H new ATOM 0 HB2 ASP A1083 19.521 15.603 -5.184 1.00 0.00 H new ATOM 0 HB3 ASP A1083 19.554 14.142 -6.152 1.00 0.00 H new ATOM 247 N ASP A1084 16.391 15.386 -4.930 1.00 0.00 N ATOM 248 CA ASP A1084 15.409 14.728 -4.082 1.00 0.00 C ATOM 249 C ASP A1084 14.035 14.738 -4.738 1.00 0.00 C ATOM 250 O ASP A1084 13.183 13.909 -4.429 1.00 0.00 O ATOM 251 CB ASP A1084 15.346 15.389 -2.707 1.00 0.00 C ATOM 252 CG ASP A1084 14.500 14.596 -1.733 1.00 0.00 C ATOM 253 OD1 ASP A1084 14.730 13.374 -1.598 1.00 0.00 O ATOM 254 OD2 ASP A1084 13.605 15.187 -1.097 1.00 0.00 O ATOM 0 H ASP A1084 16.561 16.366 -4.702 1.00 0.00 H new ATOM 0 HA ASP A1084 15.721 13.692 -3.950 1.00 0.00 H new ATOM 0 HB2 ASP A1084 16.355 15.493 -2.309 1.00 0.00 H new ATOM 0 HB3 ASP A1084 14.937 16.394 -2.807 1.00 0.00 H new ATOM 259 N GLU A1085 13.826 15.681 -5.645 1.00 0.00 N ATOM 260 CA GLU A1085 12.608 15.711 -6.440 1.00 0.00 C ATOM 261 C GLU A1085 12.689 14.632 -7.510 1.00 0.00 C ATOM 262 O GLU A1085 13.771 14.340 -8.022 1.00 0.00 O ATOM 263 CB GLU A1085 12.423 17.072 -7.107 1.00 0.00 C ATOM 264 CG GLU A1085 12.240 18.229 -6.147 1.00 0.00 C ATOM 265 CD GLU A1085 12.175 19.555 -6.876 1.00 0.00 C ATOM 266 OE1 GLU A1085 13.066 19.819 -7.714 1.00 0.00 O ATOM 267 OE2 GLU A1085 11.235 20.334 -6.624 1.00 0.00 O ATOM 0 H GLU A1085 14.483 16.434 -5.848 1.00 0.00 H new ATOM 0 HA GLU A1085 11.757 15.532 -5.783 1.00 0.00 H new ATOM 0 HB2 GLU A1085 13.290 17.274 -7.736 1.00 0.00 H new ATOM 0 HB3 GLU A1085 11.556 17.024 -7.765 1.00 0.00 H new ATOM 0 HG2 GLU A1085 11.325 18.084 -5.572 1.00 0.00 H new ATOM 0 HG3 GLU A1085 13.065 18.245 -5.435 1.00 0.00 H new ATOM 274 N LEU A1086 11.562 14.035 -7.843 1.00 0.00 N ATOM 275 CA LEU A1086 11.553 13.001 -8.859 1.00 0.00 C ATOM 276 C LEU A1086 11.284 13.588 -10.239 1.00 0.00 C ATOM 277 O LEU A1086 10.476 14.508 -10.398 1.00 0.00 O ATOM 278 CB LEU A1086 10.522 11.921 -8.544 1.00 0.00 C ATOM 279 CG LEU A1086 10.461 10.802 -9.584 1.00 0.00 C ATOM 280 CD1 LEU A1086 11.815 10.137 -9.729 1.00 0.00 C ATOM 281 CD2 LEU A1086 9.419 9.773 -9.214 1.00 0.00 C ATOM 0 H LEU A1086 10.652 14.244 -7.432 1.00 0.00 H new ATOM 0 HA LEU A1086 12.543 12.544 -8.861 1.00 0.00 H new ATOM 0 HB2 LEU A1086 10.750 11.487 -7.571 1.00 0.00 H new ATOM 0 HB3 LEU A1086 9.538 12.384 -8.464 1.00 0.00 H new ATOM 0 HG LEU A1086 10.181 11.248 -10.538 1.00 0.00 H new ATOM 0 HD11 LEU A1086 11.753 9.343 -10.473 1.00 0.00 H new ATOM 0 HD12 LEU A1086 12.551 10.876 -10.047 1.00 0.00 H new ATOM 0 HD13 LEU A1086 12.117 9.713 -8.771 1.00 0.00 H new ATOM 0 HD21 LEU A1086 9.397 8.989 -9.971 1.00 0.00 H new ATOM 0 HD22 LEU A1086 9.666 9.336 -8.246 1.00 0.00 H new ATOM 0 HD23 LEU A1086 8.441 10.250 -9.157 1.00 0.00 H new ATOM 293 N THR A1087 11.971 13.045 -11.234 1.00 0.00 N ATOM 294 CA THR A1087 11.774 13.449 -12.610 1.00 0.00 C ATOM 295 C THR A1087 10.912 12.422 -13.327 1.00 0.00 C ATOM 296 O THR A1087 11.246 11.237 -13.365 1.00 0.00 O ATOM 297 CB THR A1087 13.111 13.576 -13.355 1.00 0.00 C ATOM 298 OG1 THR A1087 14.056 14.286 -12.544 1.00 0.00 O ATOM 299 CG2 THR A1087 12.928 14.305 -14.676 1.00 0.00 C ATOM 0 H THR A1087 12.675 12.318 -11.107 1.00 0.00 H new ATOM 0 HA THR A1087 11.283 14.422 -12.603 1.00 0.00 H new ATOM 0 HB THR A1087 13.484 12.572 -13.559 1.00 0.00 H new ATOM 0 HG1 THR A1087 14.907 14.362 -13.024 1.00 0.00 H new ATOM 0 HG21 THR A1087 13.889 14.382 -15.185 1.00 0.00 H new ATOM 0 HG22 THR A1087 12.229 13.752 -15.303 1.00 0.00 H new ATOM 0 HG23 THR A1087 12.535 15.304 -14.489 1.00 0.00 H new ATOM 307 N PHE A1088 9.807 12.875 -13.882 1.00 0.00 N ATOM 308 CA PHE A1088 8.882 11.996 -14.578 1.00 0.00 C ATOM 309 C PHE A1088 8.083 12.779 -15.611 1.00 0.00 C ATOM 310 O PHE A1088 8.014 14.008 -15.555 1.00 0.00 O ATOM 311 CB PHE A1088 7.928 11.320 -13.581 1.00 0.00 C ATOM 312 CG PHE A1088 7.136 12.283 -12.735 1.00 0.00 C ATOM 313 CD1 PHE A1088 6.052 12.964 -13.265 1.00 0.00 C ATOM 314 CD2 PHE A1088 7.478 12.503 -11.412 1.00 0.00 C ATOM 315 CE1 PHE A1088 5.326 13.846 -12.495 1.00 0.00 C ATOM 316 CE2 PHE A1088 6.753 13.383 -10.633 1.00 0.00 C ATOM 317 CZ PHE A1088 5.675 14.058 -11.177 1.00 0.00 C ATOM 0 H PHE A1088 9.523 13.855 -13.866 1.00 0.00 H new ATOM 0 HA PHE A1088 9.460 11.225 -15.088 1.00 0.00 H new ATOM 0 HB2 PHE A1088 7.236 10.684 -14.132 1.00 0.00 H new ATOM 0 HB3 PHE A1088 8.507 10.669 -12.926 1.00 0.00 H new ATOM 0 HD1 PHE A1088 5.772 12.801 -14.295 1.00 0.00 H new ATOM 0 HD2 PHE A1088 8.321 11.981 -10.984 1.00 0.00 H new ATOM 0 HE1 PHE A1088 4.485 14.371 -12.923 1.00 0.00 H new ATOM 0 HE2 PHE A1088 7.027 13.544 -9.601 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.108 14.749 -10.571 1.00 0.00 H new ATOM 327 N ILE A1089 7.488 12.065 -16.549 1.00 0.00 N ATOM 328 CA ILE A1089 6.591 12.670 -17.519 1.00 0.00 C ATOM 329 C ILE A1089 5.202 12.068 -17.358 1.00 0.00 C ATOM 330 O ILE A1089 5.041 11.051 -16.674 1.00 0.00 O ATOM 331 CB ILE A1089 7.070 12.487 -18.985 1.00 0.00 C ATOM 332 CG1 ILE A1089 6.909 11.034 -19.466 1.00 0.00 C ATOM 333 CG2 ILE A1089 8.518 12.941 -19.131 1.00 0.00 C ATOM 334 CD1 ILE A1089 7.806 10.032 -18.768 1.00 0.00 C ATOM 0 H ILE A1089 7.610 11.059 -16.661 1.00 0.00 H new ATOM 0 HA ILE A1089 6.576 13.742 -17.322 1.00 0.00 H new ATOM 0 HB ILE A1089 6.437 13.110 -19.617 1.00 0.00 H new ATOM 0 HG12 ILE A1089 5.871 10.732 -19.325 1.00 0.00 H new ATOM 0 HG13 ILE A1089 7.109 10.996 -20.537 1.00 0.00 H new ATOM 0 HG21 ILE A1089 8.839 12.807 -20.164 1.00 0.00 H new ATOM 0 HG22 ILE A1089 8.598 13.994 -18.860 1.00 0.00 H new ATOM 0 HG23 ILE A1089 9.153 12.348 -18.473 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.623 9.036 -19.172 1.00 0.00 H new ATOM 0 HD12 ILE A1089 8.849 10.303 -18.930 1.00 0.00 H new ATOM 0 HD13 ILE A1089 7.592 10.035 -17.699 1.00 0.00 H new ATOM 346 N GLU A1090 4.209 12.692 -17.973 1.00 0.00 N ATOM 347 CA GLU A1090 2.831 12.224 -17.877 1.00 0.00 C ATOM 348 C GLU A1090 2.716 10.789 -18.374 1.00 0.00 C ATOM 349 O GLU A1090 3.017 10.499 -19.536 1.00 0.00 O ATOM 350 CB GLU A1090 1.889 13.107 -18.696 1.00 0.00 C ATOM 351 CG GLU A1090 2.289 14.572 -18.752 1.00 0.00 C ATOM 352 CD GLU A1090 3.237 14.871 -19.893 1.00 0.00 C ATOM 353 OE1 GLU A1090 4.448 14.612 -19.753 1.00 0.00 O ATOM 354 OE2 GLU A1090 2.765 15.349 -20.941 1.00 0.00 O ATOM 0 H GLU A1090 4.331 13.527 -18.546 1.00 0.00 H new ATOM 0 HA GLU A1090 2.544 12.274 -16.827 1.00 0.00 H new ATOM 0 HB2 GLU A1090 1.839 12.718 -19.713 1.00 0.00 H new ATOM 0 HB3 GLU A1090 0.886 13.033 -18.277 1.00 0.00 H new ATOM 0 HG2 GLU A1090 1.394 15.186 -18.857 1.00 0.00 H new ATOM 0 HG3 GLU A1090 2.760 14.853 -17.810 1.00 0.00 H new ATOM 361 N GLY A1091 2.292 9.902 -17.490 1.00 0.00 N ATOM 362 CA GLY A1091 2.102 8.517 -17.856 1.00 0.00 C ATOM 363 C GLY A1091 2.983 7.580 -17.058 1.00 0.00 C ATOM 364 O GLY A1091 2.924 6.363 -17.239 1.00 0.00 O ATOM 0 H GLY A1091 2.074 10.119 -16.517 1.00 0.00 H new ATOM 0 HA2 GLY A1091 1.057 8.245 -17.705 1.00 0.00 H new ATOM 0 HA3 GLY A1091 2.314 8.393 -18.918 1.00 0.00 H new ATOM 368 N GLU A1092 3.795 8.134 -16.167 1.00 0.00 N ATOM 369 CA GLU A1092 4.630 7.320 -15.298 1.00 0.00 C ATOM 370 C GLU A1092 3.855 6.876 -14.071 1.00 0.00 C ATOM 371 O GLU A1092 3.117 7.657 -13.465 1.00 0.00 O ATOM 372 CB GLU A1092 5.888 8.083 -14.871 1.00 0.00 C ATOM 373 CG GLU A1092 6.934 8.198 -15.964 1.00 0.00 C ATOM 374 CD GLU A1092 7.441 6.848 -16.432 1.00 0.00 C ATOM 375 OE1 GLU A1092 6.790 6.229 -17.300 1.00 0.00 O ATOM 376 OE2 GLU A1092 8.497 6.397 -15.945 1.00 0.00 O ATOM 0 H GLU A1092 3.892 9.140 -16.028 1.00 0.00 H new ATOM 0 HA GLU A1092 4.934 6.438 -15.862 1.00 0.00 H new ATOM 0 HB2 GLU A1092 5.602 9.084 -14.547 1.00 0.00 H new ATOM 0 HB3 GLU A1092 6.330 7.583 -14.009 1.00 0.00 H new ATOM 0 HG2 GLU A1092 6.510 8.736 -16.812 1.00 0.00 H new ATOM 0 HG3 GLU A1092 7.773 8.790 -15.598 1.00 0.00 H new ATOM 383 N VAL A1093 4.008 5.614 -13.723 1.00 0.00 N ATOM 384 CA VAL A1093 3.397 5.083 -12.522 1.00 0.00 C ATOM 385 C VAL A1093 4.370 5.206 -11.363 1.00 0.00 C ATOM 386 O VAL A1093 5.504 4.735 -11.437 1.00 0.00 O ATOM 387 CB VAL A1093 2.998 3.603 -12.680 1.00 0.00 C ATOM 388 CG1 VAL A1093 2.222 3.119 -11.463 1.00 0.00 C ATOM 389 CG2 VAL A1093 2.196 3.389 -13.956 1.00 0.00 C ATOM 0 H VAL A1093 4.552 4.936 -14.257 1.00 0.00 H new ATOM 0 HA VAL A1093 2.492 5.660 -12.332 1.00 0.00 H new ATOM 0 HB VAL A1093 3.912 3.013 -12.755 1.00 0.00 H new ATOM 0 HG11 VAL A1093 1.951 2.072 -11.597 1.00 0.00 H new ATOM 0 HG12 VAL A1093 2.841 3.222 -10.572 1.00 0.00 H new ATOM 0 HG13 VAL A1093 1.317 3.716 -11.347 1.00 0.00 H new ATOM 0 HG21 VAL A1093 1.927 2.337 -14.044 1.00 0.00 H new ATOM 0 HG22 VAL A1093 1.290 3.994 -13.922 1.00 0.00 H new ATOM 0 HG23 VAL A1093 2.796 3.683 -14.817 1.00 0.00 H new ATOM 399 N ILE A1094 3.932 5.853 -10.306 1.00 0.00 N ATOM 400 CA ILE A1094 4.758 6.017 -9.126 1.00 0.00 C ATOM 401 C ILE A1094 4.117 5.314 -7.942 1.00 0.00 C ATOM 402 O ILE A1094 2.938 5.507 -7.662 1.00 0.00 O ATOM 403 CB ILE A1094 4.973 7.503 -8.764 1.00 0.00 C ATOM 404 CG1 ILE A1094 5.600 8.269 -9.928 1.00 0.00 C ATOM 405 CG2 ILE A1094 5.845 7.626 -7.525 1.00 0.00 C ATOM 406 CD1 ILE A1094 5.846 9.730 -9.618 1.00 0.00 C ATOM 0 H ILE A1094 3.006 6.276 -10.237 1.00 0.00 H new ATOM 0 HA ILE A1094 5.729 5.577 -9.354 1.00 0.00 H new ATOM 0 HB ILE A1094 3.997 7.942 -8.555 1.00 0.00 H new ATOM 0 HG12 ILE A1094 6.545 7.797 -10.197 1.00 0.00 H new ATOM 0 HG13 ILE A1094 4.947 8.194 -10.797 1.00 0.00 H new ATOM 0 HG21 ILE A1094 5.987 8.679 -7.283 1.00 0.00 H new ATOM 0 HG22 ILE A1094 5.361 7.124 -6.688 1.00 0.00 H new ATOM 0 HG23 ILE A1094 6.814 7.163 -7.714 1.00 0.00 H new ATOM 0 HD11 ILE A1094 6.292 10.216 -10.486 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.900 10.215 -9.377 1.00 0.00 H new ATOM 0 HD13 ILE A1094 6.523 9.813 -8.768 1.00 0.00 H new ATOM 418 N ILE A1095 4.883 4.487 -7.259 1.00 0.00 N ATOM 419 CA ILE A1095 4.393 3.844 -6.055 1.00 0.00 C ATOM 420 C ILE A1095 4.741 4.697 -4.852 1.00 0.00 C ATOM 421 O ILE A1095 5.915 4.980 -4.601 1.00 0.00 O ATOM 422 CB ILE A1095 4.963 2.423 -5.869 1.00 0.00 C ATOM 423 CG1 ILE A1095 4.469 1.511 -6.992 1.00 0.00 C ATOM 424 CG2 ILE A1095 4.574 1.859 -4.507 1.00 0.00 C ATOM 425 CD1 ILE A1095 4.835 0.059 -6.800 1.00 0.00 C ATOM 0 H ILE A1095 5.841 4.245 -7.514 1.00 0.00 H new ATOM 0 HA ILE A1095 3.312 3.746 -6.152 1.00 0.00 H new ATOM 0 HB ILE A1095 6.051 2.475 -5.913 1.00 0.00 H new ATOM 0 HG12 ILE A1095 3.385 1.596 -7.067 1.00 0.00 H new ATOM 0 HG13 ILE A1095 4.882 1.859 -7.939 1.00 0.00 H new ATOM 0 HG21 ILE A1095 4.987 0.856 -4.397 1.00 0.00 H new ATOM 0 HG22 ILE A1095 4.969 2.502 -3.721 1.00 0.00 H new ATOM 0 HG23 ILE A1095 3.488 1.815 -4.428 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.451 -0.527 -7.635 1.00 0.00 H new ATOM 0 HD12 ILE A1095 5.920 -0.040 -6.755 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.399 -0.306 -5.870 1.00 0.00 H new ATOM 437 N VAL A1096 3.715 5.130 -4.137 1.00 0.00 N ATOM 438 CA VAL A1096 3.888 5.964 -2.965 1.00 0.00 C ATOM 439 C VAL A1096 4.510 5.167 -1.822 1.00 0.00 C ATOM 440 O VAL A1096 3.902 4.231 -1.300 1.00 0.00 O ATOM 441 CB VAL A1096 2.537 6.550 -2.523 1.00 0.00 C ATOM 442 CG1 VAL A1096 2.694 7.450 -1.307 1.00 0.00 C ATOM 443 CG2 VAL A1096 1.890 7.304 -3.673 1.00 0.00 C ATOM 0 H VAL A1096 2.742 4.912 -4.354 1.00 0.00 H new ATOM 0 HA VAL A1096 4.561 6.781 -3.224 1.00 0.00 H new ATOM 0 HB VAL A1096 1.887 5.723 -2.237 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.720 7.848 -1.021 1.00 0.00 H new ATOM 0 HG12 VAL A1096 3.109 6.874 -0.479 1.00 0.00 H new ATOM 0 HG13 VAL A1096 3.366 8.274 -1.548 1.00 0.00 H new ATOM 0 HG21 VAL A1096 0.934 7.714 -3.347 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.544 8.116 -3.989 1.00 0.00 H new ATOM 0 HG23 VAL A1096 1.727 6.623 -4.508 1.00 0.00 H new ATOM 453 N THR A1097 5.726 5.534 -1.452 1.00 0.00 N ATOM 454 CA THR A1097 6.449 4.851 -0.393 1.00 0.00 C ATOM 455 C THR A1097 6.526 5.729 0.854 1.00 0.00 C ATOM 456 O THR A1097 6.968 5.286 1.915 1.00 0.00 O ATOM 457 CB THR A1097 7.873 4.469 -0.855 1.00 0.00 C ATOM 458 OG1 THR A1097 8.576 5.637 -1.298 1.00 0.00 O ATOM 459 CG2 THR A1097 7.826 3.450 -1.987 1.00 0.00 C ATOM 0 H THR A1097 6.237 6.309 -1.875 1.00 0.00 H new ATOM 0 HA THR A1097 5.906 3.937 -0.151 1.00 0.00 H new ATOM 0 HB THR A1097 8.394 4.026 -0.006 1.00 0.00 H new ATOM 0 HG1 THR A1097 9.478 5.386 -1.587 1.00 0.00 H new ATOM 0 HG21 THR A1097 8.842 3.199 -2.293 1.00 0.00 H new ATOM 0 HG22 THR A1097 7.317 2.549 -1.645 1.00 0.00 H new ATOM 0 HG23 THR A1097 7.286 3.872 -2.834 1.00 0.00 H new ATOM 467 N GLY A1098 6.090 6.974 0.718 1.00 0.00 N ATOM 468 CA GLY A1098 6.111 7.900 1.830 1.00 0.00 C ATOM 469 C GLY A1098 5.292 9.142 1.553 1.00 0.00 C ATOM 470 O GLY A1098 4.833 9.350 0.429 1.00 0.00 O ATOM 0 H GLY A1098 5.720 7.360 -0.150 1.00 0.00 H new ATOM 0 HA2 GLY A1098 5.726 7.404 2.721 1.00 0.00 H new ATOM 0 HA3 GLY A1098 7.141 8.186 2.044 1.00 0.00 H new ATOM 474 N GLU A1099 5.118 9.972 2.570 1.00 0.00 N ATOM 475 CA GLU A1099 4.320 11.190 2.456 1.00 0.00 C ATOM 476 C GLU A1099 4.973 12.321 3.236 1.00 0.00 C ATOM 477 O GLU A1099 5.331 12.160 4.402 1.00 0.00 O ATOM 478 CB GLU A1099 2.898 10.936 2.970 1.00 0.00 C ATOM 479 CG GLU A1099 2.072 10.078 2.031 1.00 0.00 C ATOM 480 CD GLU A1099 0.972 9.312 2.737 1.00 0.00 C ATOM 481 OE1 GLU A1099 1.279 8.279 3.374 1.00 0.00 O ATOM 482 OE2 GLU A1099 -0.199 9.725 2.654 1.00 0.00 O ATOM 0 H GLU A1099 5.522 9.824 3.495 1.00 0.00 H new ATOM 0 HA GLU A1099 4.265 11.480 1.407 1.00 0.00 H new ATOM 0 HB2 GLU A1099 2.951 10.450 3.944 1.00 0.00 H new ATOM 0 HB3 GLU A1099 2.395 11.892 3.117 1.00 0.00 H new ATOM 0 HG2 GLU A1099 1.629 10.713 1.264 1.00 0.00 H new ATOM 0 HG3 GLU A1099 2.728 9.372 1.521 1.00 0.00 H new ATOM 489 N GLU A1100 5.144 13.456 2.580 1.00 0.00 N ATOM 490 CA GLU A1100 5.772 14.610 3.205 1.00 0.00 C ATOM 491 C GLU A1100 4.738 15.655 3.573 1.00 0.00 C ATOM 492 O GLU A1100 4.634 16.071 4.728 1.00 0.00 O ATOM 493 CB GLU A1100 6.805 15.230 2.264 1.00 0.00 C ATOM 494 CG GLU A1100 8.103 14.461 2.210 1.00 0.00 C ATOM 495 CD GLU A1100 8.865 14.541 3.515 1.00 0.00 C ATOM 496 OE1 GLU A1100 9.597 15.532 3.717 1.00 0.00 O ATOM 497 OE2 GLU A1100 8.735 13.625 4.347 1.00 0.00 O ATOM 0 H GLU A1100 4.856 13.604 1.613 1.00 0.00 H new ATOM 0 HA GLU A1100 6.268 14.268 4.113 1.00 0.00 H new ATOM 0 HB2 GLU A1100 6.383 15.288 1.261 1.00 0.00 H new ATOM 0 HB3 GLU A1100 7.009 16.252 2.583 1.00 0.00 H new ATOM 0 HG2 GLU A1100 7.896 13.417 1.975 1.00 0.00 H new ATOM 0 HG3 GLU A1100 8.723 14.853 1.404 1.00 0.00 H new ATOM 504 N ASP A1101 3.957 16.046 2.588 1.00 0.00 N ATOM 505 CA ASP A1101 3.033 17.156 2.740 1.00 0.00 C ATOM 506 C ASP A1101 1.689 16.797 2.112 1.00 0.00 C ATOM 507 O ASP A1101 1.458 15.638 1.777 1.00 0.00 O ATOM 508 CB ASP A1101 3.633 18.413 2.090 1.00 0.00 C ATOM 509 CG ASP A1101 2.927 19.691 2.497 1.00 0.00 C ATOM 510 OD1 ASP A1101 3.222 20.217 3.586 1.00 0.00 O ATOM 511 OD2 ASP A1101 2.071 20.170 1.728 1.00 0.00 O ATOM 0 H ASP A1101 3.942 15.610 1.666 1.00 0.00 H new ATOM 0 HA ASP A1101 2.868 17.361 3.798 1.00 0.00 H new ATOM 0 HB2 ASP A1101 4.687 18.486 2.360 1.00 0.00 H new ATOM 0 HB3 ASP A1101 3.588 18.310 1.006 1.00 0.00 H new ATOM 516 N GLN A1102 0.819 17.778 1.936 1.00 0.00 N ATOM 517 CA GLN A1102 -0.500 17.540 1.382 1.00 0.00 C ATOM 518 C GLN A1102 -0.386 17.239 -0.102 1.00 0.00 C ATOM 519 O GLN A1102 -1.072 16.370 -0.636 1.00 0.00 O ATOM 520 CB GLN A1102 -1.383 18.770 1.584 1.00 0.00 C ATOM 521 CG GLN A1102 -2.794 18.591 1.059 1.00 0.00 C ATOM 522 CD GLN A1102 -3.646 17.723 1.962 1.00 0.00 C ATOM 523 OE1 GLN A1102 -3.688 16.499 1.817 1.00 0.00 O ATOM 524 NE2 GLN A1102 -4.324 18.352 2.907 1.00 0.00 N ATOM 0 H GLN A1102 1.006 18.753 2.171 1.00 0.00 H new ATOM 0 HA GLN A1102 -0.949 16.688 1.893 1.00 0.00 H new ATOM 0 HB2 GLN A1102 -1.426 19.006 2.647 1.00 0.00 H new ATOM 0 HB3 GLN A1102 -0.923 19.624 1.086 1.00 0.00 H new ATOM 0 HG2 GLN A1102 -3.264 19.568 0.951 1.00 0.00 H new ATOM 0 HG3 GLN A1102 -2.754 18.145 0.065 1.00 0.00 H new ATOM 0 HE21 GLN A1102 -4.260 19.367 2.991 1.00 0.00 H new ATOM 0 HE22 GLN A1102 -4.911 17.823 3.552 1.00 0.00 H new ATOM 533 N GLU A1103 0.521 17.948 -0.749 1.00 0.00 N ATOM 534 CA GLU A1103 0.665 17.871 -2.189 1.00 0.00 C ATOM 535 C GLU A1103 2.065 17.419 -2.567 1.00 0.00 C ATOM 536 O GLU A1103 2.503 17.593 -3.702 1.00 0.00 O ATOM 537 CB GLU A1103 0.333 19.224 -2.832 1.00 0.00 C ATOM 538 CG GLU A1103 0.911 20.425 -2.099 1.00 0.00 C ATOM 539 CD GLU A1103 0.385 21.736 -2.646 1.00 0.00 C ATOM 540 OE1 GLU A1103 0.899 22.206 -3.681 1.00 0.00 O ATOM 541 OE2 GLU A1103 -0.554 22.301 -2.047 1.00 0.00 O ATOM 0 H GLU A1103 1.173 18.588 -0.295 1.00 0.00 H new ATOM 0 HA GLU A1103 -0.039 17.130 -2.568 1.00 0.00 H new ATOM 0 HB2 GLU A1103 0.703 19.226 -3.857 1.00 0.00 H new ATOM 0 HB3 GLU A1103 -0.750 19.332 -2.884 1.00 0.00 H new ATOM 0 HG2 GLU A1103 0.669 20.352 -1.039 1.00 0.00 H new ATOM 0 HG3 GLU A1103 1.998 20.409 -2.180 1.00 0.00 H new ATOM 548 N TRP A1104 2.752 16.816 -1.607 1.00 0.00 N ATOM 549 CA TRP A1104 4.113 16.334 -1.823 1.00 0.00 C ATOM 550 C TRP A1104 4.332 15.007 -1.117 1.00 0.00 C ATOM 551 O TRP A1104 4.385 14.938 0.111 1.00 0.00 O ATOM 552 CB TRP A1104 5.137 17.370 -1.345 1.00 0.00 C ATOM 553 CG TRP A1104 5.180 18.585 -2.221 1.00 0.00 C ATOM 554 CD1 TRP A1104 4.389 19.694 -2.125 1.00 0.00 C ATOM 555 CD2 TRP A1104 6.051 18.805 -3.336 1.00 0.00 C ATOM 556 NE1 TRP A1104 4.703 20.580 -3.122 1.00 0.00 N ATOM 557 CE2 TRP A1104 5.727 20.064 -3.873 1.00 0.00 C ATOM 558 CE3 TRP A1104 7.073 18.061 -3.933 1.00 0.00 C ATOM 559 CZ2 TRP A1104 6.388 20.594 -4.978 1.00 0.00 C ATOM 560 CZ3 TRP A1104 7.730 18.588 -5.028 1.00 0.00 C ATOM 561 CH2 TRP A1104 7.386 19.844 -5.541 1.00 0.00 C ATOM 0 H TRP A1104 2.390 16.648 -0.668 1.00 0.00 H new ATOM 0 HA TRP A1104 4.252 16.181 -2.893 1.00 0.00 H new ATOM 0 HB2 TRP A1104 4.896 17.670 -0.325 1.00 0.00 H new ATOM 0 HB3 TRP A1104 6.126 16.912 -1.317 1.00 0.00 H new ATOM 0 HD1 TRP A1104 3.628 19.850 -1.374 1.00 0.00 H new ATOM 0 HE1 TRP A1104 4.248 21.479 -3.280 1.00 0.00 H new ATOM 0 HE3 TRP A1104 7.344 17.090 -3.545 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 6.123 21.562 -5.377 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 8.522 18.022 -5.496 1.00 0.00 H new ATOM 0 HH2 TRP A1104 7.918 20.229 -6.398 1.00 0.00 H new ATOM 572 N TRP A1105 4.439 13.949 -1.903 1.00 0.00 N ATOM 573 CA TRP A1105 4.645 12.616 -1.365 1.00 0.00 C ATOM 574 C TRP A1105 6.010 12.083 -1.776 1.00 0.00 C ATOM 575 O TRP A1105 6.725 12.718 -2.548 1.00 0.00 O ATOM 576 CB TRP A1105 3.554 11.663 -1.855 1.00 0.00 C ATOM 577 CG TRP A1105 2.182 11.963 -1.326 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.826 12.919 -0.415 1.00 0.00 C ATOM 579 CD2 TRP A1105 0.978 11.282 -1.681 1.00 0.00 C ATOM 580 NE1 TRP A1105 0.471 12.868 -0.187 1.00 0.00 N ATOM 581 CE2 TRP A1105 -0.071 11.868 -0.951 1.00 0.00 C ATOM 582 CE3 TRP A1105 0.689 10.229 -2.549 1.00 0.00 C ATOM 583 CZ2 TRP A1105 -1.390 11.433 -1.068 1.00 0.00 C ATOM 584 CZ3 TRP A1105 -0.614 9.797 -2.664 1.00 0.00 C ATOM 585 CH2 TRP A1105 -1.640 10.394 -1.927 1.00 0.00 C ATOM 0 H TRP A1105 4.386 13.989 -2.921 1.00 0.00 H new ATOM 0 HA TRP A1105 4.598 12.679 -0.278 1.00 0.00 H new ATOM 0 HB2 TRP A1105 3.524 11.694 -2.944 1.00 0.00 H new ATOM 0 HB3 TRP A1105 3.824 10.646 -1.572 1.00 0.00 H new ATOM 0 HD1 TRP A1105 2.508 13.611 0.056 1.00 0.00 H new ATOM 0 HE1 TRP A1105 -0.047 13.476 0.448 1.00 0.00 H new ATOM 0 HE3 TRP A1105 1.475 9.760 -3.122 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 -2.185 11.897 -0.503 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 -0.846 8.983 -3.335 1.00 0.00 H new ATOM 0 HH2 TRP A1105 -2.651 10.030 -2.036 1.00 0.00 H new ATOM 596 N ILE A1106 6.354 10.916 -1.257 1.00 0.00 N ATOM 597 CA ILE A1106 7.615 10.258 -1.570 1.00 0.00 C ATOM 598 C ILE A1106 7.329 8.895 -2.179 1.00 0.00 C ATOM 599 O ILE A1106 6.448 8.178 -1.714 1.00 0.00 O ATOM 600 CB ILE A1106 8.490 10.078 -0.307 1.00 0.00 C ATOM 601 CG1 ILE A1106 8.852 11.436 0.287 1.00 0.00 C ATOM 602 CG2 ILE A1106 9.755 9.288 -0.628 1.00 0.00 C ATOM 603 CD1 ILE A1106 9.573 11.346 1.615 1.00 0.00 C ATOM 0 H ILE A1106 5.767 10.396 -0.605 1.00 0.00 H new ATOM 0 HA ILE A1106 8.161 10.885 -2.275 1.00 0.00 H new ATOM 0 HB ILE A1106 7.913 9.515 0.427 1.00 0.00 H new ATOM 0 HG12 ILE A1106 9.480 11.977 -0.421 1.00 0.00 H new ATOM 0 HG13 ILE A1106 7.941 12.020 0.417 1.00 0.00 H new ATOM 0 HG21 ILE A1106 10.353 9.175 0.276 1.00 0.00 H new ATOM 0 HG22 ILE A1106 9.482 8.303 -1.008 1.00 0.00 H new ATOM 0 HG23 ILE A1106 10.335 9.820 -1.382 1.00 0.00 H new ATOM 0 HD11 ILE A1106 9.798 12.350 1.976 1.00 0.00 H new ATOM 0 HD12 ILE A1106 8.939 10.834 2.339 1.00 0.00 H new ATOM 0 HD13 ILE A1106 10.502 10.790 1.488 1.00 0.00 H new ATOM 615 N GLY A1107 8.044 8.546 -3.229 1.00 0.00 N ATOM 616 CA GLY A1107 7.813 7.275 -3.868 1.00 0.00 C ATOM 617 C GLY A1107 8.874 6.936 -4.881 1.00 0.00 C ATOM 618 O GLY A1107 9.922 7.576 -4.926 1.00 0.00 O ATOM 0 H GLY A1107 8.777 9.117 -3.650 1.00 0.00 H new ATOM 0 HA2 GLY A1107 7.776 6.493 -3.110 1.00 0.00 H new ATOM 0 HA3 GLY A1107 6.839 7.290 -4.358 1.00 0.00 H new ATOM 622 N HIS A1108 8.591 5.939 -5.699 1.00 0.00 N ATOM 623 CA HIS A1108 9.537 5.485 -6.711 1.00 0.00 C ATOM 624 C HIS A1108 8.829 5.287 -8.051 1.00 0.00 C ATOM 625 O HIS A1108 7.618 5.057 -8.090 1.00 0.00 O ATOM 626 CB HIS A1108 10.256 4.184 -6.269 1.00 0.00 C ATOM 627 CG HIS A1108 9.447 2.905 -6.262 1.00 0.00 C ATOM 628 ND1 HIS A1108 9.823 1.803 -5.527 1.00 0.00 N ATOM 629 CD2 HIS A1108 8.337 2.524 -6.939 1.00 0.00 C ATOM 630 CE1 HIS A1108 8.990 0.808 -5.758 1.00 0.00 C ATOM 631 NE2 HIS A1108 8.076 1.216 -6.616 1.00 0.00 N ATOM 0 H HIS A1108 7.711 5.424 -5.685 1.00 0.00 H new ATOM 0 HA HIS A1108 10.298 6.256 -6.831 1.00 0.00 H new ATOM 0 HB2 HIS A1108 11.114 4.035 -6.924 1.00 0.00 H new ATOM 0 HB3 HIS A1108 10.646 4.341 -5.263 1.00 0.00 H new ATOM 0 HD1 HIS A1108 10.625 1.763 -4.898 1.00 0.00 H new ATOM 0 HD2 HIS A1108 7.760 3.140 -7.613 1.00 0.00 H new ATOM 0 HE1 HIS A1108 9.047 -0.177 -5.318 1.00 0.00 H new ATOM 640 N ILE A1109 9.579 5.382 -9.138 1.00 0.00 N ATOM 641 CA ILE A1109 9.051 5.092 -10.468 1.00 0.00 C ATOM 642 C ILE A1109 8.903 3.584 -10.666 1.00 0.00 C ATOM 643 O ILE A1109 9.811 2.821 -10.345 1.00 0.00 O ATOM 644 CB ILE A1109 9.975 5.666 -11.574 1.00 0.00 C ATOM 645 CG1 ILE A1109 9.895 7.194 -11.609 1.00 0.00 C ATOM 646 CG2 ILE A1109 9.626 5.089 -12.942 1.00 0.00 C ATOM 647 CD1 ILE A1109 8.553 7.728 -12.067 1.00 0.00 C ATOM 0 H ILE A1109 10.561 5.659 -9.128 1.00 0.00 H new ATOM 0 HA ILE A1109 8.073 5.567 -10.546 1.00 0.00 H new ATOM 0 HB ILE A1109 10.997 5.374 -11.333 1.00 0.00 H new ATOM 0 HG12 ILE A1109 10.109 7.582 -10.613 1.00 0.00 H new ATOM 0 HG13 ILE A1109 10.672 7.574 -12.273 1.00 0.00 H new ATOM 0 HG21 ILE A1109 10.291 5.511 -13.695 1.00 0.00 H new ATOM 0 HG22 ILE A1109 9.743 4.006 -12.920 1.00 0.00 H new ATOM 0 HG23 ILE A1109 8.594 5.338 -13.189 1.00 0.00 H new ATOM 0 HD11 ILE A1109 8.575 8.818 -12.065 1.00 0.00 H new ATOM 0 HD12 ILE A1109 8.344 7.371 -13.076 1.00 0.00 H new ATOM 0 HD13 ILE A1109 7.773 7.380 -11.390 1.00 0.00 H new ATOM 659 N GLU A1110 7.750 3.158 -11.166 1.00 0.00 N ATOM 660 CA GLU A1110 7.543 1.759 -11.510 1.00 0.00 C ATOM 661 C GLU A1110 8.329 1.407 -12.764 1.00 0.00 C ATOM 662 O GLU A1110 8.296 2.142 -13.753 1.00 0.00 O ATOM 663 CB GLU A1110 6.060 1.468 -11.717 1.00 0.00 C ATOM 664 CG GLU A1110 5.360 1.061 -10.439 1.00 0.00 C ATOM 665 CD GLU A1110 5.932 -0.221 -9.871 1.00 0.00 C ATOM 666 OE1 GLU A1110 6.942 -0.155 -9.136 1.00 0.00 O ATOM 667 OE2 GLU A1110 5.383 -1.300 -10.165 1.00 0.00 O ATOM 0 H GLU A1110 6.946 3.761 -11.342 1.00 0.00 H new ATOM 0 HA GLU A1110 7.901 1.144 -10.684 1.00 0.00 H new ATOM 0 HB2 GLU A1110 5.574 2.354 -12.126 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.950 0.674 -12.455 1.00 0.00 H new ATOM 0 HG2 GLU A1110 5.454 1.859 -9.703 1.00 0.00 H new ATOM 0 HG3 GLU A1110 4.295 0.930 -10.633 1.00 0.00 H new ATOM 674 N GLY A1111 9.042 0.292 -12.722 1.00 0.00 N ATOM 675 CA GLY A1111 9.891 -0.087 -13.835 1.00 0.00 C ATOM 676 C GLY A1111 11.312 0.398 -13.642 1.00 0.00 C ATOM 677 O GLY A1111 12.268 -0.262 -14.050 1.00 0.00 O ATOM 0 H GLY A1111 9.049 -0.359 -11.937 1.00 0.00 H new ATOM 0 HA2 GLY A1111 9.888 -1.172 -13.943 1.00 0.00 H new ATOM 0 HA3 GLY A1111 9.487 0.327 -14.759 1.00 0.00 H new ATOM 681 N GLN A1112 11.447 1.555 -13.014 1.00 0.00 N ATOM 682 CA GLN A1112 12.749 2.111 -12.680 1.00 0.00 C ATOM 683 C GLN A1112 12.711 2.619 -11.240 1.00 0.00 C ATOM 684 O GLN A1112 12.695 3.825 -10.989 1.00 0.00 O ATOM 685 CB GLN A1112 13.110 3.239 -13.650 1.00 0.00 C ATOM 686 CG GLN A1112 14.550 3.714 -13.534 1.00 0.00 C ATOM 687 CD GLN A1112 14.881 4.800 -14.537 1.00 0.00 C ATOM 688 OE1 GLN A1112 14.020 5.588 -14.924 1.00 0.00 O ATOM 689 NE2 GLN A1112 16.126 4.841 -14.975 1.00 0.00 N ATOM 0 H GLN A1112 10.660 2.134 -12.722 1.00 0.00 H new ATOM 0 HA GLN A1112 13.515 1.341 -12.769 1.00 0.00 H new ATOM 0 HB2 GLN A1112 12.931 2.899 -14.670 1.00 0.00 H new ATOM 0 HB3 GLN A1112 12.444 4.084 -13.474 1.00 0.00 H new ATOM 0 HG2 GLN A1112 14.726 4.088 -12.526 1.00 0.00 H new ATOM 0 HG3 GLN A1112 15.222 2.869 -13.682 1.00 0.00 H new ATOM 0 HE21 GLN A1112 16.811 4.169 -14.629 1.00 0.00 H new ATOM 0 HE22 GLN A1112 16.403 5.545 -15.659 1.00 0.00 H new ATOM 698 N PRO A1113 12.701 1.687 -10.273 1.00 0.00 N ATOM 699 CA PRO A1113 12.447 1.991 -8.862 1.00 0.00 C ATOM 700 C PRO A1113 13.610 2.697 -8.189 1.00 0.00 C ATOM 701 O PRO A1113 13.523 3.069 -7.024 1.00 0.00 O ATOM 702 CB PRO A1113 12.223 0.616 -8.219 1.00 0.00 C ATOM 703 CG PRO A1113 12.177 -0.359 -9.348 1.00 0.00 C ATOM 704 CD PRO A1113 12.957 0.258 -10.466 1.00 0.00 C ATOM 0 HA PRO A1113 11.602 2.671 -8.755 1.00 0.00 H new ATOM 0 HB2 PRO A1113 13.028 0.373 -7.525 1.00 0.00 H new ATOM 0 HB3 PRO A1113 11.294 0.598 -7.649 1.00 0.00 H new ATOM 0 HG2 PRO A1113 12.609 -1.316 -9.054 1.00 0.00 H new ATOM 0 HG3 PRO A1113 11.149 -0.554 -9.652 1.00 0.00 H new ATOM 0 HD2 PRO A1113 14.019 0.022 -10.399 1.00 0.00 H new ATOM 0 HD3 PRO A1113 12.614 -0.089 -11.441 1.00 0.00 H new ATOM 712 N GLU A1114 14.698 2.877 -8.919 1.00 0.00 N ATOM 713 CA GLU A1114 15.842 3.595 -8.391 1.00 0.00 C ATOM 714 C GLU A1114 15.616 5.099 -8.503 1.00 0.00 C ATOM 715 O GLU A1114 16.319 5.896 -7.883 1.00 0.00 O ATOM 716 CB GLU A1114 17.116 3.174 -9.114 1.00 0.00 C ATOM 717 CG GLU A1114 17.426 1.691 -8.960 1.00 0.00 C ATOM 718 CD GLU A1114 17.489 1.254 -7.511 1.00 0.00 C ATOM 719 OE1 GLU A1114 18.424 1.677 -6.800 1.00 0.00 O ATOM 720 OE2 GLU A1114 16.604 0.484 -7.077 1.00 0.00 O ATOM 0 H GLU A1114 14.812 2.537 -9.874 1.00 0.00 H new ATOM 0 HA GLU A1114 15.959 3.346 -7.336 1.00 0.00 H new ATOM 0 HB2 GLU A1114 17.021 3.411 -10.174 1.00 0.00 H new ATOM 0 HB3 GLU A1114 17.954 3.756 -8.731 1.00 0.00 H new ATOM 0 HG2 GLU A1114 16.664 1.109 -9.478 1.00 0.00 H new ATOM 0 HG3 GLU A1114 18.378 1.471 -9.443 1.00 0.00 H new ATOM 727 N ARG A1115 14.617 5.475 -9.294 1.00 0.00 N ATOM 728 CA ARG A1115 14.178 6.855 -9.361 1.00 0.00 C ATOM 729 C ARG A1115 13.152 7.102 -8.275 1.00 0.00 C ATOM 730 O ARG A1115 11.966 6.817 -8.455 1.00 0.00 O ATOM 731 CB ARG A1115 13.553 7.188 -10.715 1.00 0.00 C ATOM 732 CG ARG A1115 14.546 7.414 -11.837 1.00 0.00 C ATOM 733 CD ARG A1115 13.910 8.240 -12.944 1.00 0.00 C ATOM 734 NE ARG A1115 14.746 8.303 -14.142 1.00 0.00 N ATOM 735 CZ ARG A1115 15.292 9.422 -14.623 1.00 0.00 C ATOM 736 NH1 ARG A1115 15.164 10.568 -13.965 1.00 0.00 N ATOM 737 NH2 ARG A1115 15.994 9.384 -15.747 1.00 0.00 N ATOM 0 H ARG A1115 14.098 4.838 -9.898 1.00 0.00 H new ATOM 0 HA ARG A1115 15.052 7.492 -9.224 1.00 0.00 H new ATOM 0 HB2 ARG A1115 12.884 6.376 -11.000 1.00 0.00 H new ATOM 0 HB3 ARG A1115 12.940 8.083 -10.606 1.00 0.00 H new ATOM 0 HG2 ARG A1115 15.429 7.925 -11.453 1.00 0.00 H new ATOM 0 HG3 ARG A1115 14.880 6.456 -12.235 1.00 0.00 H new ATOM 0 HD2 ARG A1115 12.941 7.812 -13.202 1.00 0.00 H new ATOM 0 HD3 ARG A1115 13.725 9.250 -12.579 1.00 0.00 H new ATOM 0 HE ARG A1115 14.924 7.433 -14.644 1.00 0.00 H new ATOM 0 HH11 ARG A1115 14.646 10.597 -13.087 1.00 0.00 H new ATOM 0 HH12 ARG A1115 15.584 11.420 -14.338 1.00 0.00 H new ATOM 0 HH21 ARG A1115 16.116 8.501 -16.242 1.00 0.00 H new ATOM 0 HH22 ARG A1115 16.412 10.238 -16.116 1.00 0.00 H new ATOM 751 N LYS A1116 13.603 7.597 -7.139 1.00 0.00 N ATOM 752 CA LYS A1116 12.702 7.871 -6.032 1.00 0.00 C ATOM 753 C LYS A1116 12.856 9.297 -5.547 1.00 0.00 C ATOM 754 O LYS A1116 13.813 9.988 -5.901 1.00 0.00 O ATOM 755 CB LYS A1116 12.961 6.921 -4.866 1.00 0.00 C ATOM 756 CG LYS A1116 13.175 5.487 -5.286 1.00 0.00 C ATOM 757 CD LYS A1116 13.362 4.561 -4.094 1.00 0.00 C ATOM 758 CE LYS A1116 14.833 4.368 -3.741 1.00 0.00 C ATOM 759 NZ LYS A1116 15.476 5.622 -3.266 1.00 0.00 N ATOM 0 H LYS A1116 14.582 7.817 -6.957 1.00 0.00 H new ATOM 0 HA LYS A1116 11.687 7.722 -6.400 1.00 0.00 H new ATOM 0 HB2 LYS A1116 13.838 7.264 -4.318 1.00 0.00 H new ATOM 0 HB3 LYS A1116 12.117 6.966 -4.178 1.00 0.00 H new ATOM 0 HG2 LYS A1116 12.321 5.151 -5.874 1.00 0.00 H new ATOM 0 HG3 LYS A1116 14.051 5.426 -5.932 1.00 0.00 H new ATOM 0 HD2 LYS A1116 12.834 4.969 -3.232 1.00 0.00 H new ATOM 0 HD3 LYS A1116 12.913 3.593 -4.314 1.00 0.00 H new ATOM 0 HE2 LYS A1116 14.920 3.604 -2.968 1.00 0.00 H new ATOM 0 HE3 LYS A1116 15.368 3.999 -4.616 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 16.346 5.390 -2.746 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 15.710 6.223 -4.082 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 14.822 6.131 -2.637 1.00 0.00 H new ATOM 773 N GLY A1117 11.911 9.733 -4.734 1.00 0.00 N ATOM 774 CA GLY A1117 12.003 11.042 -4.140 1.00 0.00 C ATOM 775 C GLY A1117 10.645 11.662 -3.925 1.00 0.00 C ATOM 776 O GLY A1117 9.642 10.949 -3.852 1.00 0.00 O ATOM 0 H GLY A1117 11.080 9.201 -4.475 1.00 0.00 H new ATOM 0 HA2 GLY A1117 12.524 10.971 -3.185 1.00 0.00 H new ATOM 0 HA3 GLY A1117 12.600 11.690 -4.782 1.00 0.00 H new ATOM 780 N VAL A1118 10.605 12.982 -3.825 1.00 0.00 N ATOM 781 CA VAL A1118 9.349 13.686 -3.634 1.00 0.00 C ATOM 782 C VAL A1118 8.716 14.033 -4.973 1.00 0.00 C ATOM 783 O VAL A1118 9.407 14.392 -5.930 1.00 0.00 O ATOM 784 CB VAL A1118 9.512 14.973 -2.794 1.00 0.00 C ATOM 785 CG1 VAL A1118 9.830 14.631 -1.349 1.00 0.00 C ATOM 786 CG2 VAL A1118 10.582 15.884 -3.380 1.00 0.00 C ATOM 0 H VAL A1118 11.426 13.585 -3.873 1.00 0.00 H new ATOM 0 HA VAL A1118 8.697 13.008 -3.083 1.00 0.00 H new ATOM 0 HB VAL A1118 8.565 15.512 -2.821 1.00 0.00 H new ATOM 0 HG11 VAL A1118 9.941 15.550 -0.774 1.00 0.00 H new ATOM 0 HG12 VAL A1118 9.019 14.036 -0.929 1.00 0.00 H new ATOM 0 HG13 VAL A1118 10.758 14.061 -1.306 1.00 0.00 H new ATOM 0 HG21 VAL A1118 10.673 16.780 -2.767 1.00 0.00 H new ATOM 0 HG22 VAL A1118 11.537 15.359 -3.398 1.00 0.00 H new ATOM 0 HG23 VAL A1118 10.304 16.166 -4.395 1.00 0.00 H new ATOM 796 N PHE A1119 7.406 13.903 -5.036 1.00 0.00 N ATOM 797 CA PHE A1119 6.661 14.234 -6.233 1.00 0.00 C ATOM 798 C PHE A1119 5.368 14.945 -5.863 1.00 0.00 C ATOM 799 O PHE A1119 4.693 14.570 -4.899 1.00 0.00 O ATOM 800 CB PHE A1119 6.376 12.978 -7.078 1.00 0.00 C ATOM 801 CG PHE A1119 5.708 11.846 -6.338 1.00 0.00 C ATOM 802 CD1 PHE A1119 6.457 10.964 -5.578 1.00 0.00 C ATOM 803 CD2 PHE A1119 4.335 11.646 -6.425 1.00 0.00 C ATOM 804 CE1 PHE A1119 5.858 9.913 -4.921 1.00 0.00 C ATOM 805 CE2 PHE A1119 3.732 10.592 -5.760 1.00 0.00 C ATOM 806 CZ PHE A1119 4.499 9.724 -5.009 1.00 0.00 C ATOM 0 H PHE A1119 6.831 13.567 -4.263 1.00 0.00 H new ATOM 0 HA PHE A1119 7.268 14.906 -6.840 1.00 0.00 H new ATOM 0 HB2 PHE A1119 5.746 13.262 -7.921 1.00 0.00 H new ATOM 0 HB3 PHE A1119 7.317 12.616 -7.491 1.00 0.00 H new ATOM 0 HD1 PHE A1119 7.525 11.102 -5.500 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.733 12.319 -7.017 1.00 0.00 H new ATOM 0 HE1 PHE A1119 6.458 9.234 -4.334 1.00 0.00 H new ATOM 0 HE2 PHE A1119 2.664 10.449 -5.829 1.00 0.00 H new ATOM 0 HZ PHE A1119 4.033 8.898 -4.492 1.00 0.00 H new ATOM 816 N PRO A1120 5.037 16.010 -6.604 1.00 0.00 N ATOM 817 CA PRO A1120 3.819 16.782 -6.375 1.00 0.00 C ATOM 818 C PRO A1120 2.561 15.977 -6.687 1.00 0.00 C ATOM 819 O PRO A1120 2.373 15.500 -7.808 1.00 0.00 O ATOM 820 CB PRO A1120 3.950 17.970 -7.330 1.00 0.00 C ATOM 821 CG PRO A1120 4.902 17.520 -8.383 1.00 0.00 C ATOM 822 CD PRO A1120 5.835 16.547 -7.720 1.00 0.00 C ATOM 0 HA PRO A1120 3.718 17.078 -5.331 1.00 0.00 H new ATOM 0 HB2 PRO A1120 2.985 18.238 -7.760 1.00 0.00 H new ATOM 0 HB3 PRO A1120 4.324 18.853 -6.812 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.372 17.048 -9.210 1.00 0.00 H new ATOM 0 HG3 PRO A1120 5.452 18.365 -8.797 1.00 0.00 H new ATOM 0 HD2 PRO A1120 6.147 15.759 -8.406 1.00 0.00 H new ATOM 0 HD3 PRO A1120 6.741 17.038 -7.365 1.00 0.00 H new ATOM 830 N VAL A1121 1.703 15.846 -5.685 1.00 0.00 N ATOM 831 CA VAL A1121 0.478 15.058 -5.793 1.00 0.00 C ATOM 832 C VAL A1121 -0.483 15.676 -6.807 1.00 0.00 C ATOM 833 O VAL A1121 -1.272 14.979 -7.446 1.00 0.00 O ATOM 834 CB VAL A1121 -0.220 14.947 -4.422 1.00 0.00 C ATOM 835 CG1 VAL A1121 -1.440 14.044 -4.491 1.00 0.00 C ATOM 836 CG2 VAL A1121 0.754 14.440 -3.379 1.00 0.00 C ATOM 0 H VAL A1121 1.835 16.282 -4.773 1.00 0.00 H new ATOM 0 HA VAL A1121 0.756 14.061 -6.135 1.00 0.00 H new ATOM 0 HB VAL A1121 -0.560 15.943 -4.137 1.00 0.00 H new ATOM 0 HG11 VAL A1121 -1.907 13.988 -3.508 1.00 0.00 H new ATOM 0 HG12 VAL A1121 -2.153 14.449 -5.209 1.00 0.00 H new ATOM 0 HG13 VAL A1121 -1.136 13.046 -4.805 1.00 0.00 H new ATOM 0 HG21 VAL A1121 0.250 14.366 -2.416 1.00 0.00 H new ATOM 0 HG22 VAL A1121 1.122 13.457 -3.672 1.00 0.00 H new ATOM 0 HG23 VAL A1121 1.592 15.132 -3.297 1.00 0.00 H new ATOM 846 N SER A1122 -0.389 16.987 -6.963 1.00 0.00 N ATOM 847 CA SER A1122 -1.222 17.715 -7.909 1.00 0.00 C ATOM 848 C SER A1122 -0.879 17.323 -9.349 1.00 0.00 C ATOM 849 O SER A1122 -1.652 17.568 -10.275 1.00 0.00 O ATOM 850 CB SER A1122 -1.007 19.213 -7.709 1.00 0.00 C ATOM 851 OG SER A1122 -0.904 19.524 -6.330 1.00 0.00 O ATOM 0 H SER A1122 0.262 17.574 -6.442 1.00 0.00 H new ATOM 0 HA SER A1122 -2.268 17.464 -7.731 1.00 0.00 H new ATOM 0 HB2 SER A1122 -0.101 19.528 -8.227 1.00 0.00 H new ATOM 0 HB3 SER A1122 -1.835 19.767 -8.151 1.00 0.00 H new ATOM 0 HG SER A1122 -0.765 20.488 -6.222 1.00 0.00 H new ATOM 857 N PHE A1123 0.281 16.698 -9.523 1.00 0.00 N ATOM 858 CA PHE A1123 0.761 16.326 -10.844 1.00 0.00 C ATOM 859 C PHE A1123 0.491 14.854 -11.143 1.00 0.00 C ATOM 860 O PHE A1123 0.873 14.350 -12.202 1.00 0.00 O ATOM 861 CB PHE A1123 2.261 16.612 -10.964 1.00 0.00 C ATOM 862 CG PHE A1123 2.593 18.066 -11.162 1.00 0.00 C ATOM 863 CD1 PHE A1123 2.196 19.025 -10.243 1.00 0.00 C ATOM 864 CD2 PHE A1123 3.312 18.471 -12.274 1.00 0.00 C ATOM 865 CE1 PHE A1123 2.505 20.359 -10.433 1.00 0.00 C ATOM 866 CE2 PHE A1123 3.624 19.801 -12.471 1.00 0.00 C ATOM 867 CZ PHE A1123 3.220 20.747 -11.549 1.00 0.00 C ATOM 0 H PHE A1123 0.907 16.439 -8.760 1.00 0.00 H new ATOM 0 HA PHE A1123 0.218 16.926 -11.574 1.00 0.00 H new ATOM 0 HB2 PHE A1123 2.762 16.255 -10.064 1.00 0.00 H new ATOM 0 HB3 PHE A1123 2.664 16.041 -11.801 1.00 0.00 H new ATOM 0 HD1 PHE A1123 1.638 18.726 -9.368 1.00 0.00 H new ATOM 0 HD2 PHE A1123 3.633 17.736 -12.997 1.00 0.00 H new ATOM 0 HE1 PHE A1123 2.188 21.096 -9.710 1.00 0.00 H new ATOM 0 HE2 PHE A1123 4.183 20.102 -13.345 1.00 0.00 H new ATOM 0 HZ PHE A1123 3.463 21.788 -11.701 1.00 0.00 H new ATOM 877 N VAL A1124 -0.171 14.161 -10.222 1.00 0.00 N ATOM 878 CA VAL A1124 -0.390 12.727 -10.376 1.00 0.00 C ATOM 879 C VAL A1124 -1.864 12.354 -10.218 1.00 0.00 C ATOM 880 O VAL A1124 -2.644 13.088 -9.613 1.00 0.00 O ATOM 881 CB VAL A1124 0.456 11.907 -9.373 1.00 0.00 C ATOM 882 CG1 VAL A1124 1.939 12.201 -9.545 1.00 0.00 C ATOM 883 CG2 VAL A1124 0.023 12.182 -7.940 1.00 0.00 C ATOM 0 H VAL A1124 -0.561 14.563 -9.370 1.00 0.00 H new ATOM 0 HA VAL A1124 -0.074 12.480 -11.389 1.00 0.00 H new ATOM 0 HB VAL A1124 0.288 10.851 -9.584 1.00 0.00 H new ATOM 0 HG11 VAL A1124 2.512 11.612 -8.829 1.00 0.00 H new ATOM 0 HG12 VAL A1124 2.247 11.940 -10.558 1.00 0.00 H new ATOM 0 HG13 VAL A1124 2.122 13.262 -9.372 1.00 0.00 H new ATOM 0 HG21 VAL A1124 0.634 11.593 -7.256 1.00 0.00 H new ATOM 0 HG22 VAL A1124 0.150 13.242 -7.719 1.00 0.00 H new ATOM 0 HG23 VAL A1124 -1.025 11.909 -7.818 1.00 0.00 H new ATOM 893 N HIS A1125 -2.231 11.208 -10.782 1.00 0.00 N ATOM 894 CA HIS A1125 -3.597 10.702 -10.721 1.00 0.00 C ATOM 895 C HIS A1125 -3.611 9.396 -9.928 1.00 0.00 C ATOM 896 O HIS A1125 -3.244 8.349 -10.450 1.00 0.00 O ATOM 897 CB HIS A1125 -4.111 10.461 -12.146 1.00 0.00 C ATOM 898 CG HIS A1125 -5.580 10.677 -12.334 1.00 0.00 C ATOM 899 ND1 HIS A1125 -6.093 11.512 -13.304 1.00 0.00 N ATOM 900 CD2 HIS A1125 -6.646 10.142 -11.702 1.00 0.00 C ATOM 901 CE1 HIS A1125 -7.409 11.480 -13.256 1.00 0.00 C ATOM 902 NE2 HIS A1125 -7.772 10.657 -12.292 1.00 0.00 N ATOM 0 H HIS A1125 -1.589 10.604 -11.295 1.00 0.00 H new ATOM 0 HA HIS A1125 -4.244 11.428 -10.228 1.00 0.00 H new ATOM 0 HB2 HIS A1125 -3.572 11.120 -12.827 1.00 0.00 H new ATOM 0 HB3 HIS A1125 -3.870 9.438 -12.435 1.00 0.00 H new ATOM 0 HD2 HIS A1125 -6.618 9.438 -10.883 1.00 0.00 H new ATOM 0 HE1 HIS A1125 -8.078 12.034 -13.898 1.00 0.00 H new ATOM 0 HE2 HIS A1125 -8.733 10.439 -12.028 1.00 0.00 H new ATOM 911 N ILE A1126 -4.019 9.469 -8.670 1.00 0.00 N ATOM 912 CA ILE A1126 -3.930 8.332 -7.748 1.00 0.00 C ATOM 913 C ILE A1126 -4.758 7.136 -8.214 1.00 0.00 C ATOM 914 O ILE A1126 -5.839 7.289 -8.784 1.00 0.00 O ATOM 915 CB ILE A1126 -4.382 8.752 -6.337 1.00 0.00 C ATOM 916 CG1 ILE A1126 -3.543 9.941 -5.871 1.00 0.00 C ATOM 917 CG2 ILE A1126 -4.270 7.588 -5.355 1.00 0.00 C ATOM 918 CD1 ILE A1126 -3.977 10.508 -4.548 1.00 0.00 C ATOM 0 H ILE A1126 -4.420 10.310 -8.255 1.00 0.00 H new ATOM 0 HA ILE A1126 -2.885 8.023 -7.728 1.00 0.00 H new ATOM 0 HB ILE A1126 -5.431 9.046 -6.373 1.00 0.00 H new ATOM 0 HG12 ILE A1126 -2.500 9.632 -5.799 1.00 0.00 H new ATOM 0 HG13 ILE A1126 -3.591 10.726 -6.626 1.00 0.00 H new ATOM 0 HG21 ILE A1126 -4.596 7.913 -4.367 1.00 0.00 H new ATOM 0 HG22 ILE A1126 -4.900 6.765 -5.692 1.00 0.00 H new ATOM 0 HG23 ILE A1126 -3.234 7.254 -5.304 1.00 0.00 H new ATOM 0 HD11 ILE A1126 -3.335 11.348 -4.284 1.00 0.00 H new ATOM 0 HD12 ILE A1126 -5.010 10.849 -4.620 1.00 0.00 H new ATOM 0 HD13 ILE A1126 -3.902 9.738 -3.780 1.00 0.00 H new ATOM 930 N LEU A1127 -4.231 5.944 -7.966 1.00 0.00 N ATOM 931 CA LEU A1127 -4.897 4.714 -8.352 1.00 0.00 C ATOM 932 C LEU A1127 -5.544 4.058 -7.143 1.00 0.00 C ATOM 933 O LEU A1127 -4.870 3.753 -6.158 1.00 0.00 O ATOM 934 CB LEU A1127 -3.897 3.730 -8.967 1.00 0.00 C ATOM 935 CG LEU A1127 -2.893 4.340 -9.943 1.00 0.00 C ATOM 936 CD1 LEU A1127 -2.004 3.261 -10.540 1.00 0.00 C ATOM 937 CD2 LEU A1127 -3.611 5.107 -11.042 1.00 0.00 C ATOM 0 H LEU A1127 -3.337 5.806 -7.495 1.00 0.00 H new ATOM 0 HA LEU A1127 -5.661 4.966 -9.087 1.00 0.00 H new ATOM 0 HB2 LEU A1127 -3.346 3.247 -8.160 1.00 0.00 H new ATOM 0 HB3 LEU A1127 -4.454 2.949 -9.485 1.00 0.00 H new ATOM 0 HG LEU A1127 -2.263 5.039 -9.392 1.00 0.00 H new ATOM 0 HD11 LEU A1127 -1.296 3.715 -11.233 1.00 0.00 H new ATOM 0 HD12 LEU A1127 -1.459 2.756 -9.742 1.00 0.00 H new ATOM 0 HD13 LEU A1127 -2.619 2.537 -11.074 1.00 0.00 H new ATOM 0 HD21 LEU A1127 -2.878 5.534 -11.727 1.00 0.00 H new ATOM 0 HD22 LEU A1127 -4.267 4.430 -11.589 1.00 0.00 H new ATOM 0 HD23 LEU A1127 -4.203 5.908 -10.599 1.00 0.00 H new ATOM 949 N SER A1128 -6.842 3.842 -7.218 1.00 0.00 N ATOM 950 CA SER A1128 -7.539 3.067 -6.211 1.00 0.00 C ATOM 951 C SER A1128 -7.677 1.627 -6.696 1.00 0.00 C ATOM 952 O SER A1128 -8.631 0.924 -6.363 1.00 0.00 O ATOM 953 CB SER A1128 -8.906 3.687 -5.927 1.00 0.00 C ATOM 954 OG SER A1128 -9.610 3.937 -7.133 1.00 0.00 O ATOM 0 H SER A1128 -7.437 4.193 -7.968 1.00 0.00 H new ATOM 0 HA SER A1128 -6.971 3.071 -5.280 1.00 0.00 H new ATOM 0 HB2 SER A1128 -9.488 3.018 -5.293 1.00 0.00 H new ATOM 0 HB3 SER A1128 -8.780 4.619 -5.375 1.00 0.00 H new ATOM 0 HG SER A1128 -10.483 4.332 -6.926 1.00 0.00 H new ATOM 960 N ASP A1129 -6.705 1.212 -7.501 1.00 0.00 N ATOM 961 CA ASP A1129 -6.687 -0.125 -8.082 1.00 0.00 C ATOM 962 C ASP A1129 -6.269 -1.152 -7.047 1.00 0.00 C ATOM 963 O ASP A1129 -5.087 -1.149 -6.651 1.00 0.00 O ATOM 964 CB ASP A1129 -5.734 -0.172 -9.282 1.00 0.00 C ATOM 965 CG ASP A1129 -5.523 -1.577 -9.814 1.00 0.00 C ATOM 966 OD1 ASP A1129 -6.469 -2.156 -10.380 1.00 0.00 O ATOM 967 OD2 ASP A1129 -4.398 -2.104 -9.686 1.00 0.00 O ATOM 968 OXT ASP A1129 -7.124 -1.958 -6.625 1.00 0.00 O ATOM 0 H ASP A1129 -5.909 1.791 -7.768 1.00 0.00 H new ATOM 0 HA ASP A1129 -7.695 -0.363 -8.422 1.00 0.00 H new ATOM 0 HB2 ASP A1129 -6.130 0.457 -10.079 1.00 0.00 H new ATOM 0 HB3 ASP A1129 -4.772 0.250 -8.992 1.00 0.00 H new TER 973 ASP A1129