USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 635 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A1082 ASN : amide:sc= -0.0293 K(o=-0.14,f=-12!) USER MOD Set 1.2: B1592 LYS NZ :NH3+ -127:sc= -0.106! (180deg=-2.03) USER MOD Single : A1073 LYS NZ :NH3+ 172:sc= 0.948 (180deg=0.915) USER MOD Single : A1074 THR OG1 : rot 129:sc= 1.39 USER MOD Single : A1076 TYR OH : rot -130:sc= -2.13! USER MOD Single : A1078 CYS SG : rot 88:sc= -0.441 USER MOD Single : A1079 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1087 THR OG1 : rot 180:sc= 0.82 USER MOD Single : A1097 THR OG1 : rot 180:sc= -0.679 USER MOD Single : A1102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1108 HIS : no HD1:sc= -0.051 X(o=-0.051,f=0) USER MOD Single : A1112 GLN : amide:sc= -0.14 K(o=-0.14,f=-9.5!) USER MOD Single : A1116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1122 SER OG : rot -133:sc= 1.21 USER MOD Single : A1125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1128 SER OG : rot -51:sc= 0.25 USER MOD Single : B1578 CYS SG : rot 180:sc= 0 USER MOD Single : B1581 SER OG : rot 180:sc= 0.395 USER MOD Single : B1583 MET CE :methyl 135:sc= -0.59 (180deg=-1.78) USER MOD Single : B1585 THR OG1 : rot 180:sc= 0 USER MOD Single : B1586 LYS NZ :NH3+ 180:sc= 0.245 (180deg=0.245) USER MOD Single : B1587 SER OG : rot -109:sc= 1.29 USER MOD Single : B1588 SER OG : rot 180:sc= 0 USER MOD Single : B1590 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0222) USER MOD Single : B1593 LYS NZ :NH3+ 159:sc= 0.812 (180deg=0.541) USER MOD Single : B1596 GLN : amide:sc= -0.0943 X(o=-0.094,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A1069 1.661 -1.026 0.172 1.00 0.00 N ATOM 2 CA VAL A1069 2.309 -0.719 -1.124 1.00 0.00 C ATOM 3 C VAL A1069 3.376 0.359 -0.947 1.00 0.00 C ATOM 4 O VAL A1069 4.562 0.111 -1.166 1.00 0.00 O ATOM 5 CB VAL A1069 1.282 -0.242 -2.174 1.00 0.00 C ATOM 6 CG1 VAL A1069 1.950 -0.016 -3.523 1.00 0.00 C ATOM 7 CG2 VAL A1069 0.147 -1.242 -2.305 1.00 0.00 C ATOM 0 HA VAL A1069 2.770 -1.641 -1.479 1.00 0.00 H new ATOM 0 HB VAL A1069 0.869 0.708 -1.835 1.00 0.00 H new ATOM 0 HG11 VAL A1069 1.206 0.319 -4.246 1.00 0.00 H new ATOM 0 HG12 VAL A1069 2.726 0.743 -3.422 1.00 0.00 H new ATOM 0 HG13 VAL A1069 2.397 -0.948 -3.868 1.00 0.00 H new ATOM 0 HG21 VAL A1069 -0.566 -0.888 -3.049 1.00 0.00 H new ATOM 0 HG22 VAL A1069 0.547 -2.207 -2.616 1.00 0.00 H new ATOM 0 HG23 VAL A1069 -0.356 -1.350 -1.344 1.00 0.00 H new ATOM 19 N ARG A1070 2.957 1.554 -0.545 1.00 0.00 N ATOM 20 CA ARG A1070 3.890 2.653 -0.351 1.00 0.00 C ATOM 21 C ARG A1070 4.280 2.747 1.119 1.00 0.00 C ATOM 22 O ARG A1070 3.435 2.622 2.004 1.00 0.00 O ATOM 23 CB ARG A1070 3.275 3.969 -0.823 1.00 0.00 C ATOM 24 CG ARG A1070 4.286 5.097 -0.960 1.00 0.00 C ATOM 25 CD ARG A1070 3.627 6.385 -1.422 1.00 0.00 C ATOM 26 NE ARG A1070 2.899 6.212 -2.677 1.00 0.00 N ATOM 27 CZ ARG A1070 2.282 7.198 -3.326 1.00 0.00 C ATOM 28 NH1 ARG A1070 2.339 8.442 -2.870 1.00 0.00 N ATOM 29 NH2 ARG A1070 1.621 6.933 -4.444 1.00 0.00 N ATOM 0 H ARG A1070 1.983 1.784 -0.349 1.00 0.00 H new ATOM 0 HA ARG A1070 4.785 2.463 -0.944 1.00 0.00 H new ATOM 0 HB2 ARG A1070 2.789 3.809 -1.785 1.00 0.00 H new ATOM 0 HB3 ARG A1070 2.499 4.271 -0.120 1.00 0.00 H new ATOM 0 HG2 ARG A1070 4.779 5.263 -0.002 1.00 0.00 H new ATOM 0 HG3 ARG A1070 5.060 4.808 -1.671 1.00 0.00 H new ATOM 0 HD2 ARG A1070 2.941 6.737 -0.651 1.00 0.00 H new ATOM 0 HD3 ARG A1070 4.388 7.156 -1.548 1.00 0.00 H new ATOM 0 HE ARG A1070 2.861 5.277 -3.082 1.00 0.00 H new ATOM 0 HH11 ARG A1070 2.858 8.649 -2.017 1.00 0.00 H new ATOM 0 HH12 ARG A1070 1.864 9.192 -3.373 1.00 0.00 H new ATOM 0 HH21 ARG A1070 1.587 5.979 -4.802 1.00 0.00 H new ATOM 0 HH22 ARG A1070 1.146 7.683 -4.946 1.00 0.00 H new ATOM 43 N ARG A1071 5.556 2.959 1.372 1.00 0.00 N ATOM 44 CA ARG A1071 6.080 2.963 2.729 1.00 0.00 C ATOM 45 C ARG A1071 6.872 4.242 2.972 1.00 0.00 C ATOM 46 O ARG A1071 7.545 4.732 2.068 1.00 0.00 O ATOM 47 CB ARG A1071 6.986 1.744 2.897 1.00 0.00 C ATOM 48 CG ARG A1071 7.127 1.213 4.313 1.00 0.00 C ATOM 49 CD ARG A1071 7.989 -0.037 4.293 1.00 0.00 C ATOM 50 NE ARG A1071 8.045 -0.738 5.573 1.00 0.00 N ATOM 51 CZ ARG A1071 9.053 -1.534 5.932 1.00 0.00 C ATOM 52 NH1 ARG A1071 10.155 -1.605 5.194 1.00 0.00 N ATOM 53 NH2 ARG A1071 8.971 -2.235 7.050 1.00 0.00 N ATOM 0 H ARG A1071 6.257 3.132 0.651 1.00 0.00 H new ATOM 0 HA ARG A1071 5.263 2.921 3.449 1.00 0.00 H new ATOM 0 HB2 ARG A1071 6.604 0.942 2.265 1.00 0.00 H new ATOM 0 HB3 ARG A1071 7.978 1.999 2.525 1.00 0.00 H new ATOM 0 HG2 ARG A1071 7.578 1.970 4.955 1.00 0.00 H new ATOM 0 HG3 ARG A1071 6.145 0.986 4.729 1.00 0.00 H new ATOM 0 HD2 ARG A1071 7.606 -0.718 3.533 1.00 0.00 H new ATOM 0 HD3 ARG A1071 9.001 0.236 3.995 1.00 0.00 H new ATOM 0 HE ARG A1071 7.272 -0.612 6.227 1.00 0.00 H new ATOM 0 HH11 ARG A1071 10.236 -1.047 4.344 1.00 0.00 H new ATOM 0 HH12 ARG A1071 10.920 -2.217 5.478 1.00 0.00 H new ATOM 0 HH21 ARG A1071 8.138 -2.166 7.635 1.00 0.00 H new ATOM 0 HH22 ARG A1071 9.740 -2.845 7.327 1.00 0.00 H new ATOM 67 N VAL A1072 6.773 4.795 4.171 1.00 0.00 N ATOM 68 CA VAL A1072 7.572 5.960 4.542 1.00 0.00 C ATOM 69 C VAL A1072 8.136 5.793 5.946 1.00 0.00 C ATOM 70 O VAL A1072 7.500 5.208 6.818 1.00 0.00 O ATOM 71 CB VAL A1072 6.774 7.287 4.476 1.00 0.00 C ATOM 72 CG1 VAL A1072 6.372 7.618 3.048 1.00 0.00 C ATOM 73 CG2 VAL A1072 5.549 7.233 5.373 1.00 0.00 C ATOM 0 H VAL A1072 6.149 4.459 4.905 1.00 0.00 H new ATOM 0 HA VAL A1072 8.379 6.020 3.812 1.00 0.00 H new ATOM 0 HB VAL A1072 7.428 8.080 4.837 1.00 0.00 H new ATOM 0 HG11 VAL A1072 5.814 8.554 3.035 1.00 0.00 H new ATOM 0 HG12 VAL A1072 7.266 7.720 2.433 1.00 0.00 H new ATOM 0 HG13 VAL A1072 5.748 6.818 2.651 1.00 0.00 H new ATOM 0 HG21 VAL A1072 5.008 8.177 5.307 1.00 0.00 H new ATOM 0 HG22 VAL A1072 4.899 6.419 5.052 1.00 0.00 H new ATOM 0 HG23 VAL A1072 5.860 7.064 6.404 1.00 0.00 H new ATOM 83 N LYS A1073 9.340 6.291 6.152 1.00 0.00 N ATOM 84 CA LYS A1073 9.964 6.241 7.464 1.00 0.00 C ATOM 85 C LYS A1073 10.056 7.650 8.006 1.00 0.00 C ATOM 86 O LYS A1073 10.544 8.549 7.323 1.00 0.00 O ATOM 87 CB LYS A1073 11.361 5.610 7.382 1.00 0.00 C ATOM 88 CG LYS A1073 11.778 4.840 8.633 1.00 0.00 C ATOM 89 CD LYS A1073 12.168 5.755 9.784 1.00 0.00 C ATOM 90 CE LYS A1073 13.441 6.528 9.479 1.00 0.00 C ATOM 91 NZ LYS A1073 13.898 7.326 10.645 1.00 0.00 N ATOM 0 H LYS A1073 9.907 6.735 5.429 1.00 0.00 H new ATOM 0 HA LYS A1073 9.361 5.623 8.129 1.00 0.00 H new ATOM 0 HB2 LYS A1073 11.392 4.935 6.527 1.00 0.00 H new ATOM 0 HB3 LYS A1073 12.092 6.397 7.194 1.00 0.00 H new ATOM 0 HG2 LYS A1073 10.957 4.196 8.949 1.00 0.00 H new ATOM 0 HG3 LYS A1073 12.618 4.190 8.391 1.00 0.00 H new ATOM 0 HD2 LYS A1073 11.356 6.454 9.984 1.00 0.00 H new ATOM 0 HD3 LYS A1073 12.309 5.163 10.688 1.00 0.00 H new ATOM 0 HE2 LYS A1073 14.227 5.832 9.185 1.00 0.00 H new ATOM 0 HE3 LYS A1073 13.269 7.191 8.631 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 14.835 7.729 10.444 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 13.222 8.095 10.826 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 13.957 6.713 11.483 1.00 0.00 H new ATOM 105 N THR A1074 9.574 7.849 9.214 1.00 0.00 N ATOM 106 CA THR A1074 9.556 9.171 9.799 1.00 0.00 C ATOM 107 C THR A1074 10.968 9.612 10.148 1.00 0.00 C ATOM 108 O THR A1074 11.666 8.973 10.945 1.00 0.00 O ATOM 109 CB THR A1074 8.657 9.217 11.045 1.00 0.00 C ATOM 110 OG1 THR A1074 9.224 8.437 12.095 1.00 0.00 O ATOM 111 CG2 THR A1074 7.274 8.682 10.715 1.00 0.00 C ATOM 0 H THR A1074 9.191 7.114 9.808 1.00 0.00 H new ATOM 0 HA THR A1074 9.143 9.860 9.062 1.00 0.00 H new ATOM 0 HB THR A1074 8.576 10.254 11.370 1.00 0.00 H new ATOM 0 HG1 THR A1074 9.271 8.974 12.913 1.00 0.00 H new ATOM 0 HG21 THR A1074 6.647 8.720 11.606 1.00 0.00 H new ATOM 0 HG22 THR A1074 6.826 9.291 9.930 1.00 0.00 H new ATOM 0 HG23 THR A1074 7.355 7.650 10.372 1.00 0.00 H new ATOM 119 N ILE A1075 11.401 10.687 9.524 1.00 0.00 N ATOM 120 CA ILE A1075 12.744 11.186 9.729 1.00 0.00 C ATOM 121 C ILE A1075 12.728 12.372 10.673 1.00 0.00 C ATOM 122 O ILE A1075 13.774 12.907 11.049 1.00 0.00 O ATOM 123 CB ILE A1075 13.404 11.578 8.398 1.00 0.00 C ATOM 124 CG1 ILE A1075 12.476 12.460 7.565 1.00 0.00 C ATOM 125 CG2 ILE A1075 13.792 10.333 7.623 1.00 0.00 C ATOM 126 CD1 ILE A1075 13.086 12.926 6.260 1.00 0.00 C ATOM 0 H ILE A1075 10.841 11.233 8.869 1.00 0.00 H new ATOM 0 HA ILE A1075 13.333 10.384 10.175 1.00 0.00 H new ATOM 0 HB ILE A1075 14.304 12.152 8.617 1.00 0.00 H new ATOM 0 HG12 ILE A1075 11.561 11.908 7.351 1.00 0.00 H new ATOM 0 HG13 ILE A1075 12.192 13.332 8.155 1.00 0.00 H new ATOM 0 HG21 ILE A1075 14.259 10.621 6.681 1.00 0.00 H new ATOM 0 HG22 ILE A1075 14.495 9.743 8.211 1.00 0.00 H new ATOM 0 HG23 ILE A1075 12.901 9.739 7.419 1.00 0.00 H new ATOM 0 HD11 ILE A1075 12.368 13.547 5.724 1.00 0.00 H new ATOM 0 HD12 ILE A1075 13.986 13.506 6.466 1.00 0.00 H new ATOM 0 HD13 ILE A1075 13.344 12.061 5.650 1.00 0.00 H new ATOM 138 N TYR A1076 11.524 12.770 11.048 1.00 0.00 N ATOM 139 CA TYR A1076 11.326 13.858 11.987 1.00 0.00 C ATOM 140 C TYR A1076 10.203 13.543 12.957 1.00 0.00 C ATOM 141 O TYR A1076 9.521 12.525 12.832 1.00 0.00 O ATOM 142 CB TYR A1076 10.975 15.147 11.251 1.00 0.00 C ATOM 143 CG TYR A1076 12.069 15.699 10.373 1.00 0.00 C ATOM 144 CD1 TYR A1076 13.038 16.535 10.895 1.00 0.00 C ATOM 145 CD2 TYR A1076 12.106 15.422 9.015 1.00 0.00 C ATOM 146 CE1 TYR A1076 14.015 17.084 10.086 1.00 0.00 C ATOM 147 CE2 TYR A1076 13.083 15.953 8.204 1.00 0.00 C ATOM 148 CZ TYR A1076 14.029 16.790 8.738 1.00 0.00 C ATOM 149 OH TYR A1076 14.982 17.346 7.915 1.00 0.00 O ATOM 0 H TYR A1076 10.659 12.348 10.710 1.00 0.00 H new ATOM 0 HA TYR A1076 12.259 13.984 12.536 1.00 0.00 H new ATOM 0 HB2 TYR A1076 10.093 14.968 10.637 1.00 0.00 H new ATOM 0 HB3 TYR A1076 10.703 15.905 11.986 1.00 0.00 H new ATOM 0 HD1 TYR A1076 13.032 16.763 11.951 1.00 0.00 H new ATOM 0 HD2 TYR A1076 11.354 14.777 8.585 1.00 0.00 H new ATOM 0 HE1 TYR A1076 14.763 17.739 10.507 1.00 0.00 H new ATOM 0 HE2 TYR A1076 13.105 15.712 7.152 1.00 0.00 H new ATOM 0 HH TYR A1076 14.547 17.740 7.130 1.00 0.00 H new ATOM 159 N ASP A1077 10.016 14.443 13.913 1.00 0.00 N ATOM 160 CA ASP A1077 8.952 14.321 14.897 1.00 0.00 C ATOM 161 C ASP A1077 7.884 15.369 14.623 1.00 0.00 C ATOM 162 O ASP A1077 8.106 16.560 14.845 1.00 0.00 O ATOM 163 CB ASP A1077 9.490 14.529 16.315 1.00 0.00 C ATOM 164 CG ASP A1077 10.766 13.762 16.598 1.00 0.00 C ATOM 165 OD1 ASP A1077 10.687 12.550 16.887 1.00 0.00 O ATOM 166 OD2 ASP A1077 11.854 14.376 16.549 1.00 0.00 O ATOM 0 H ASP A1077 10.596 15.275 14.027 1.00 0.00 H new ATOM 0 HA ASP A1077 8.532 13.318 14.820 1.00 0.00 H new ATOM 0 HB2 ASP A1077 9.672 15.592 16.473 1.00 0.00 H new ATOM 0 HB3 ASP A1077 8.727 14.226 17.032 1.00 0.00 H new ATOM 171 N CYS A1078 6.728 14.937 14.158 1.00 0.00 N ATOM 172 CA CYS A1078 5.664 15.863 13.807 1.00 0.00 C ATOM 173 C CYS A1078 4.415 15.568 14.614 1.00 0.00 C ATOM 174 O CYS A1078 4.137 14.416 14.950 1.00 0.00 O ATOM 175 CB CYS A1078 5.334 15.782 12.318 1.00 0.00 C ATOM 176 SG CYS A1078 4.220 17.087 11.745 1.00 0.00 S ATOM 0 H CYS A1078 6.500 13.953 14.014 1.00 0.00 H new ATOM 0 HA CYS A1078 6.014 16.869 14.036 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.261 15.832 11.747 1.00 0.00 H new ATOM 0 HB3 CYS A1078 4.882 14.813 12.108 1.00 0.00 H new ATOM 0 HG CYS A1078 4.916 18.126 11.388 1.00 0.00 H new ATOM 182 N GLN A1079 3.659 16.608 14.913 1.00 0.00 N ATOM 183 CA GLN A1079 2.433 16.448 15.680 1.00 0.00 C ATOM 184 C GLN A1079 1.230 17.021 14.946 1.00 0.00 C ATOM 185 O GLN A1079 1.308 18.057 14.280 1.00 0.00 O ATOM 186 CB GLN A1079 2.575 17.062 17.076 1.00 0.00 C ATOM 187 CG GLN A1079 1.250 17.290 17.787 1.00 0.00 C ATOM 188 CD GLN A1079 1.421 17.788 19.208 1.00 0.00 C ATOM 189 OE1 GLN A1079 1.485 17.001 20.152 1.00 0.00 O ATOM 190 NE2 GLN A1079 1.497 19.099 19.371 1.00 0.00 N ATOM 0 H GLN A1079 3.869 17.568 14.639 1.00 0.00 H new ATOM 0 HA GLN A1079 2.259 15.379 15.798 1.00 0.00 H new ATOM 0 HB2 GLN A1079 3.197 16.409 17.688 1.00 0.00 H new ATOM 0 HB3 GLN A1079 3.099 18.014 16.992 1.00 0.00 H new ATOM 0 HG2 GLN A1079 0.660 18.012 17.223 1.00 0.00 H new ATOM 0 HG3 GLN A1079 0.685 16.358 17.800 1.00 0.00 H new ATOM 0 HE21 GLN A1079 1.440 19.718 18.562 1.00 0.00 H new ATOM 0 HE22 GLN A1079 1.613 19.491 20.306 1.00 0.00 H new ATOM 199 N ALA A1080 0.122 16.311 15.078 1.00 0.00 N ATOM 200 CA ALA A1080 -1.126 16.659 14.425 1.00 0.00 C ATOM 201 C ALA A1080 -1.812 17.825 15.120 1.00 0.00 C ATOM 202 O ALA A1080 -1.842 17.898 16.349 1.00 0.00 O ATOM 203 CB ALA A1080 -2.044 15.452 14.432 1.00 0.00 C ATOM 0 H ALA A1080 0.065 15.467 15.648 1.00 0.00 H new ATOM 0 HA ALA A1080 -0.906 16.961 13.401 1.00 0.00 H new ATOM 0 HB1 ALA A1080 -2.984 15.707 13.943 1.00 0.00 H new ATOM 0 HB2 ALA A1080 -1.568 14.630 13.898 1.00 0.00 H new ATOM 0 HB3 ALA A1080 -2.241 15.150 15.461 1.00 0.00 H new ATOM 209 N ASP A1081 -2.366 18.731 14.323 1.00 0.00 N ATOM 210 CA ASP A1081 -3.112 19.865 14.853 1.00 0.00 C ATOM 211 C ASP A1081 -4.547 19.449 15.131 1.00 0.00 C ATOM 212 O ASP A1081 -5.130 19.818 16.152 1.00 0.00 O ATOM 213 CB ASP A1081 -3.106 21.038 13.867 1.00 0.00 C ATOM 214 CG ASP A1081 -1.713 21.521 13.532 1.00 0.00 C ATOM 215 OD1 ASP A1081 -1.164 22.356 14.282 1.00 0.00 O ATOM 216 OD2 ASP A1081 -1.160 21.072 12.508 1.00 0.00 O ATOM 0 H ASP A1081 -2.312 18.702 13.305 1.00 0.00 H new ATOM 0 HA ASP A1081 -2.632 20.186 15.777 1.00 0.00 H new ATOM 0 HB2 ASP A1081 -3.611 20.736 12.949 1.00 0.00 H new ATOM 0 HB3 ASP A1081 -3.679 21.863 14.289 1.00 0.00 H new ATOM 221 N ASN A1082 -5.113 18.673 14.215 1.00 0.00 N ATOM 222 CA ASN A1082 -6.481 18.201 14.359 1.00 0.00 C ATOM 223 C ASN A1082 -6.523 16.680 14.399 1.00 0.00 C ATOM 224 O ASN A1082 -5.482 16.021 14.395 1.00 0.00 O ATOM 225 CB ASN A1082 -7.363 18.707 13.214 1.00 0.00 C ATOM 226 CG ASN A1082 -7.506 20.218 13.184 1.00 0.00 C ATOM 227 OD1 ASN A1082 -7.617 20.812 12.114 1.00 0.00 O ATOM 228 ND2 ASN A1082 -7.518 20.850 14.346 1.00 0.00 N ATOM 0 H ASN A1082 -4.645 18.358 13.365 1.00 0.00 H new ATOM 0 HA ASN A1082 -6.867 18.595 15.299 1.00 0.00 H new ATOM 0 HB2 ASN A1082 -6.943 18.371 12.266 1.00 0.00 H new ATOM 0 HB3 ASN A1082 -8.352 18.258 13.302 1.00 0.00 H new ATOM 0 HD21 ASN A1082 -7.622 21.864 14.374 1.00 0.00 H new ATOM 0 HD22 ASN A1082 -7.423 20.323 15.214 1.00 0.00 H new ATOM 235 N ASP A1083 -7.727 16.130 14.424 1.00 0.00 N ATOM 236 CA ASP A1083 -7.926 14.681 14.431 1.00 0.00 C ATOM 237 C ASP A1083 -7.554 14.078 13.080 1.00 0.00 C ATOM 238 O ASP A1083 -7.331 12.873 12.961 1.00 0.00 O ATOM 239 CB ASP A1083 -9.390 14.353 14.729 1.00 0.00 C ATOM 240 CG ASP A1083 -9.882 14.941 16.037 1.00 0.00 C ATOM 241 OD1 ASP A1083 -10.176 16.155 16.073 1.00 0.00 O ATOM 242 OD2 ASP A1083 -10.001 14.190 17.030 1.00 0.00 O ATOM 0 H ASP A1083 -8.593 16.669 14.440 1.00 0.00 H new ATOM 0 HA ASP A1083 -7.285 14.258 15.204 1.00 0.00 H new ATOM 0 HB2 ASP A1083 -10.012 14.725 13.915 1.00 0.00 H new ATOM 0 HB3 ASP A1083 -9.514 13.270 14.756 1.00 0.00 H new ATOM 247 N ASP A1084 -7.489 14.932 12.067 1.00 0.00 N ATOM 248 CA ASP A1084 -7.253 14.497 10.697 1.00 0.00 C ATOM 249 C ASP A1084 -5.819 14.045 10.508 1.00 0.00 C ATOM 250 O ASP A1084 -5.545 13.102 9.768 1.00 0.00 O ATOM 251 CB ASP A1084 -7.523 15.638 9.718 1.00 0.00 C ATOM 252 CG ASP A1084 -8.871 16.292 9.902 1.00 0.00 C ATOM 253 OD1 ASP A1084 -9.864 15.772 9.361 1.00 0.00 O ATOM 254 OD2 ASP A1084 -8.928 17.353 10.564 1.00 0.00 O ATOM 0 H ASP A1084 -7.598 15.941 12.171 1.00 0.00 H new ATOM 0 HA ASP A1084 -7.929 13.665 10.502 1.00 0.00 H new ATOM 0 HB2 ASP A1084 -6.745 16.393 9.831 1.00 0.00 H new ATOM 0 HB3 ASP A1084 -7.451 15.256 8.700 1.00 0.00 H new ATOM 259 N GLU A1085 -4.904 14.730 11.172 1.00 0.00 N ATOM 260 CA GLU A1085 -3.490 14.504 10.950 1.00 0.00 C ATOM 261 C GLU A1085 -2.958 13.367 11.822 1.00 0.00 C ATOM 262 O GLU A1085 -3.555 13.008 12.839 1.00 0.00 O ATOM 263 CB GLU A1085 -2.681 15.785 11.195 1.00 0.00 C ATOM 264 CG GLU A1085 -2.879 16.872 10.146 1.00 0.00 C ATOM 265 CD GLU A1085 -4.252 17.504 10.192 1.00 0.00 C ATOM 266 OE1 GLU A1085 -4.561 18.194 11.187 1.00 0.00 O ATOM 267 OE2 GLU A1085 -5.027 17.333 9.226 1.00 0.00 O ATOM 0 H GLU A1085 -5.116 15.445 11.867 1.00 0.00 H new ATOM 0 HA GLU A1085 -3.371 14.213 9.906 1.00 0.00 H new ATOM 0 HB2 GLU A1085 -2.950 16.188 12.171 1.00 0.00 H new ATOM 0 HB3 GLU A1085 -1.623 15.528 11.237 1.00 0.00 H new ATOM 0 HG2 GLU A1085 -2.125 17.646 10.288 1.00 0.00 H new ATOM 0 HG3 GLU A1085 -2.716 16.446 9.156 1.00 0.00 H new ATOM 274 N LEU A1086 -1.829 12.815 11.405 1.00 0.00 N ATOM 275 CA LEU A1086 -1.195 11.704 12.095 1.00 0.00 C ATOM 276 C LEU A1086 0.082 12.172 12.790 1.00 0.00 C ATOM 277 O LEU A1086 1.021 12.631 12.141 1.00 0.00 O ATOM 278 CB LEU A1086 -0.903 10.582 11.085 1.00 0.00 C ATOM 279 CG LEU A1086 -0.266 9.307 11.647 1.00 0.00 C ATOM 280 CD1 LEU A1086 -0.787 8.095 10.905 1.00 0.00 C ATOM 281 CD2 LEU A1086 1.240 9.352 11.508 1.00 0.00 C ATOM 0 H LEU A1086 -1.325 13.127 10.575 1.00 0.00 H new ATOM 0 HA LEU A1086 -1.865 11.317 12.863 1.00 0.00 H new ATOM 0 HB2 LEU A1086 -1.839 10.310 10.597 1.00 0.00 H new ATOM 0 HB3 LEU A1086 -0.245 10.981 10.313 1.00 0.00 H new ATOM 0 HG LEU A1086 -0.528 9.239 12.703 1.00 0.00 H new ATOM 0 HD11 LEU A1086 -0.328 7.194 11.312 1.00 0.00 H new ATOM 0 HD12 LEU A1086 -1.869 8.035 11.021 1.00 0.00 H new ATOM 0 HD13 LEU A1086 -0.540 8.182 9.847 1.00 0.00 H new ATOM 0 HD21 LEU A1086 1.670 8.436 11.914 1.00 0.00 H new ATOM 0 HD22 LEU A1086 1.506 9.442 10.455 1.00 0.00 H new ATOM 0 HD23 LEU A1086 1.630 10.210 12.055 1.00 0.00 H new ATOM 293 N THR A1087 0.092 12.086 14.114 1.00 0.00 N ATOM 294 CA THR A1087 1.272 12.425 14.896 1.00 0.00 C ATOM 295 C THR A1087 2.284 11.283 14.847 1.00 0.00 C ATOM 296 O THR A1087 1.959 10.137 15.162 1.00 0.00 O ATOM 297 CB THR A1087 0.899 12.731 16.364 1.00 0.00 C ATOM 298 OG1 THR A1087 -0.087 13.772 16.407 1.00 0.00 O ATOM 299 CG2 THR A1087 2.121 13.139 17.179 1.00 0.00 C ATOM 0 H THR A1087 -0.708 11.783 14.670 1.00 0.00 H new ATOM 0 HA THR A1087 1.717 13.320 14.461 1.00 0.00 H new ATOM 0 HB THR A1087 0.492 11.821 16.805 1.00 0.00 H new ATOM 0 HG1 THR A1087 -0.322 13.962 17.339 1.00 0.00 H new ATOM 0 HG21 THR A1087 1.821 13.347 18.206 1.00 0.00 H new ATOM 0 HG22 THR A1087 2.851 12.329 17.171 1.00 0.00 H new ATOM 0 HG23 THR A1087 2.567 14.033 16.744 1.00 0.00 H new ATOM 307 N PHE A1088 3.502 11.601 14.439 1.00 0.00 N ATOM 308 CA PHE A1088 4.552 10.604 14.310 1.00 0.00 C ATOM 309 C PHE A1088 5.877 11.170 14.791 1.00 0.00 C ATOM 310 O PHE A1088 6.191 12.333 14.546 1.00 0.00 O ATOM 311 CB PHE A1088 4.674 10.132 12.852 1.00 0.00 C ATOM 312 CG PHE A1088 4.946 11.236 11.859 1.00 0.00 C ATOM 313 CD1 PHE A1088 6.242 11.651 11.590 1.00 0.00 C ATOM 314 CD2 PHE A1088 3.903 11.860 11.194 1.00 0.00 C ATOM 315 CE1 PHE A1088 6.490 12.656 10.681 1.00 0.00 C ATOM 316 CE2 PHE A1088 4.148 12.867 10.283 1.00 0.00 C ATOM 317 CZ PHE A1088 5.442 13.267 10.029 1.00 0.00 C ATOM 0 H PHE A1088 3.789 12.548 14.190 1.00 0.00 H new ATOM 0 HA PHE A1088 4.290 9.746 14.930 1.00 0.00 H new ATOM 0 HB2 PHE A1088 5.476 9.396 12.787 1.00 0.00 H new ATOM 0 HB3 PHE A1088 3.752 9.625 12.569 1.00 0.00 H new ATOM 0 HD1 PHE A1088 7.069 11.179 12.101 1.00 0.00 H new ATOM 0 HD2 PHE A1088 2.886 11.555 11.391 1.00 0.00 H new ATOM 0 HE1 PHE A1088 7.505 12.964 10.480 1.00 0.00 H new ATOM 0 HE2 PHE A1088 3.325 13.342 9.769 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.634 14.058 9.320 1.00 0.00 H new ATOM 327 N ILE A1089 6.648 10.359 15.490 1.00 0.00 N ATOM 328 CA ILE A1089 7.965 10.783 15.929 1.00 0.00 C ATOM 329 C ILE A1089 9.031 10.032 15.152 1.00 0.00 C ATOM 330 O ILE A1089 8.754 8.979 14.578 1.00 0.00 O ATOM 331 CB ILE A1089 8.193 10.604 17.456 1.00 0.00 C ATOM 332 CG1 ILE A1089 8.376 9.127 17.843 1.00 0.00 C ATOM 333 CG2 ILE A1089 7.045 11.226 18.238 1.00 0.00 C ATOM 334 CD1 ILE A1089 7.161 8.259 17.603 1.00 0.00 C ATOM 0 H ILE A1089 6.389 9.411 15.764 1.00 0.00 H new ATOM 0 HA ILE A1089 8.034 11.852 15.730 1.00 0.00 H new ATOM 0 HB ILE A1089 9.118 11.120 17.713 1.00 0.00 H new ATOM 0 HG12 ILE A1089 9.215 8.719 17.280 1.00 0.00 H new ATOM 0 HG13 ILE A1089 8.643 9.072 18.898 1.00 0.00 H new ATOM 0 HG21 ILE A1089 7.218 11.093 19.306 1.00 0.00 H new ATOM 0 HG22 ILE A1089 6.984 12.290 18.010 1.00 0.00 H new ATOM 0 HG23 ILE A1089 6.110 10.741 17.959 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.380 7.235 17.904 1.00 0.00 H new ATOM 0 HD12 ILE A1089 6.322 8.637 18.188 1.00 0.00 H new ATOM 0 HD13 ILE A1089 6.903 8.279 16.544 1.00 0.00 H new ATOM 346 N GLU A1090 10.235 10.582 15.134 1.00 0.00 N ATOM 347 CA GLU A1090 11.328 10.035 14.344 1.00 0.00 C ATOM 348 C GLU A1090 11.586 8.576 14.728 1.00 0.00 C ATOM 349 O GLU A1090 11.784 8.261 15.905 1.00 0.00 O ATOM 350 CB GLU A1090 12.587 10.889 14.548 1.00 0.00 C ATOM 351 CG GLU A1090 13.720 10.590 13.574 1.00 0.00 C ATOM 352 CD GLU A1090 14.513 9.354 13.933 1.00 0.00 C ATOM 353 OE1 GLU A1090 15.211 9.366 14.971 1.00 0.00 O ATOM 354 OE2 GLU A1090 14.465 8.366 13.173 1.00 0.00 O ATOM 0 H GLU A1090 10.482 11.417 15.665 1.00 0.00 H new ATOM 0 HA GLU A1090 11.057 10.059 13.288 1.00 0.00 H new ATOM 0 HB2 GLU A1090 12.315 11.941 14.457 1.00 0.00 H new ATOM 0 HB3 GLU A1090 12.950 10.740 15.565 1.00 0.00 H new ATOM 0 HG2 GLU A1090 13.306 10.468 12.573 1.00 0.00 H new ATOM 0 HG3 GLU A1090 14.393 11.446 13.538 1.00 0.00 H new ATOM 361 N GLY A1091 11.565 7.693 13.734 1.00 0.00 N ATOM 362 CA GLY A1091 11.800 6.281 13.981 1.00 0.00 C ATOM 363 C GLY A1091 10.591 5.430 13.646 1.00 0.00 C ATOM 364 O GLY A1091 10.690 4.206 13.547 1.00 0.00 O ATOM 0 H GLY A1091 11.389 7.931 12.758 1.00 0.00 H new ATOM 0 HA2 GLY A1091 12.652 5.948 13.388 1.00 0.00 H new ATOM 0 HA3 GLY A1091 12.064 6.137 15.029 1.00 0.00 H new ATOM 368 N GLU A1092 9.452 6.084 13.465 1.00 0.00 N ATOM 369 CA GLU A1092 8.217 5.402 13.098 1.00 0.00 C ATOM 370 C GLU A1092 8.227 5.021 11.624 1.00 0.00 C ATOM 371 O GLU A1092 8.897 5.656 10.806 1.00 0.00 O ATOM 372 CB GLU A1092 7.000 6.291 13.381 1.00 0.00 C ATOM 373 CG GLU A1092 6.587 6.329 14.838 1.00 0.00 C ATOM 374 CD GLU A1092 5.978 5.030 15.326 1.00 0.00 C ATOM 375 OE1 GLU A1092 6.740 4.089 15.630 1.00 0.00 O ATOM 376 OE2 GLU A1092 4.738 4.949 15.433 1.00 0.00 O ATOM 0 H GLU A1092 9.357 7.094 13.567 1.00 0.00 H new ATOM 0 HA GLU A1092 8.149 4.497 13.702 1.00 0.00 H new ATOM 0 HB2 GLU A1092 7.220 7.306 13.050 1.00 0.00 H new ATOM 0 HB3 GLU A1092 6.159 5.937 12.785 1.00 0.00 H new ATOM 0 HG2 GLU A1092 7.458 6.565 15.449 1.00 0.00 H new ATOM 0 HG3 GLU A1092 5.868 7.136 14.983 1.00 0.00 H new ATOM 383 N VAL A1093 7.475 3.990 11.292 1.00 0.00 N ATOM 384 CA VAL A1093 7.338 3.553 9.908 1.00 0.00 C ATOM 385 C VAL A1093 5.870 3.548 9.528 1.00 0.00 C ATOM 386 O VAL A1093 5.051 2.913 10.192 1.00 0.00 O ATOM 387 CB VAL A1093 7.934 2.148 9.665 1.00 0.00 C ATOM 388 CG1 VAL A1093 7.771 1.735 8.205 1.00 0.00 C ATOM 389 CG2 VAL A1093 9.398 2.104 10.068 1.00 0.00 C ATOM 0 H VAL A1093 6.945 3.434 11.963 1.00 0.00 H new ATOM 0 HA VAL A1093 7.897 4.254 9.288 1.00 0.00 H new ATOM 0 HB VAL A1093 7.386 1.439 10.286 1.00 0.00 H new ATOM 0 HG11 VAL A1093 8.198 0.743 8.058 1.00 0.00 H new ATOM 0 HG12 VAL A1093 6.712 1.716 7.948 1.00 0.00 H new ATOM 0 HG13 VAL A1093 8.287 2.451 7.565 1.00 0.00 H new ATOM 0 HG21 VAL A1093 9.795 1.105 9.888 1.00 0.00 H new ATOM 0 HG22 VAL A1093 9.959 2.829 9.479 1.00 0.00 H new ATOM 0 HG23 VAL A1093 9.491 2.346 11.127 1.00 0.00 H new ATOM 399 N ILE A1094 5.538 4.258 8.468 1.00 0.00 N ATOM 400 CA ILE A1094 4.153 4.427 8.078 1.00 0.00 C ATOM 401 C ILE A1094 3.889 3.781 6.727 1.00 0.00 C ATOM 402 O ILE A1094 4.652 3.964 5.777 1.00 0.00 O ATOM 403 CB ILE A1094 3.770 5.918 7.990 1.00 0.00 C ATOM 404 CG1 ILE A1094 4.281 6.684 9.211 1.00 0.00 C ATOM 405 CG2 ILE A1094 2.260 6.067 7.866 1.00 0.00 C ATOM 406 CD1 ILE A1094 4.079 8.182 9.117 1.00 0.00 C ATOM 0 H ILE A1094 6.210 4.728 7.861 1.00 0.00 H new ATOM 0 HA ILE A1094 3.547 3.944 8.845 1.00 0.00 H new ATOM 0 HB ILE A1094 4.240 6.341 7.102 1.00 0.00 H new ATOM 0 HG12 ILE A1094 3.773 6.313 10.101 1.00 0.00 H new ATOM 0 HG13 ILE A1094 5.343 6.477 9.341 1.00 0.00 H new ATOM 0 HG21 ILE A1094 2.003 7.124 7.805 1.00 0.00 H new ATOM 0 HG22 ILE A1094 1.917 5.557 6.966 1.00 0.00 H new ATOM 0 HG23 ILE A1094 1.778 5.626 8.739 1.00 0.00 H new ATOM 0 HD11 ILE A1094 4.465 8.658 10.018 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.610 8.567 8.247 1.00 0.00 H new ATOM 0 HD13 ILE A1094 3.016 8.400 9.019 1.00 0.00 H new ATOM 418 N ILE A1095 2.814 3.021 6.651 1.00 0.00 N ATOM 419 CA ILE A1095 2.356 2.475 5.387 1.00 0.00 C ATOM 420 C ILE A1095 1.388 3.469 4.754 1.00 0.00 C ATOM 421 O ILE A1095 0.293 3.692 5.275 1.00 0.00 O ATOM 422 CB ILE A1095 1.643 1.115 5.572 1.00 0.00 C ATOM 423 CG1 ILE A1095 2.557 0.117 6.296 1.00 0.00 C ATOM 424 CG2 ILE A1095 1.196 0.555 4.226 1.00 0.00 C ATOM 425 CD1 ILE A1095 3.848 -0.181 5.564 1.00 0.00 C ATOM 0 H ILE A1095 2.238 2.766 7.454 1.00 0.00 H new ATOM 0 HA ILE A1095 3.223 2.310 4.747 1.00 0.00 H new ATOM 0 HB ILE A1095 0.758 1.275 6.187 1.00 0.00 H new ATOM 0 HG12 ILE A1095 2.795 0.509 7.285 1.00 0.00 H new ATOM 0 HG13 ILE A1095 2.013 -0.816 6.445 1.00 0.00 H new ATOM 0 HG21 ILE A1095 0.697 -0.402 4.378 1.00 0.00 H new ATOM 0 HG22 ILE A1095 0.506 1.253 3.752 1.00 0.00 H new ATOM 0 HG23 ILE A1095 2.065 0.413 3.584 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.437 -0.894 6.141 1.00 0.00 H new ATOM 0 HD12 ILE A1095 3.622 -0.605 4.585 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.416 0.741 5.438 1.00 0.00 H new ATOM 437 N VAL A1096 1.808 4.083 3.656 1.00 0.00 N ATOM 438 CA VAL A1096 1.008 5.103 2.987 1.00 0.00 C ATOM 439 C VAL A1096 -0.152 4.468 2.235 1.00 0.00 C ATOM 440 O VAL A1096 0.052 3.741 1.267 1.00 0.00 O ATOM 441 CB VAL A1096 1.855 5.932 2.000 1.00 0.00 C ATOM 442 CG1 VAL A1096 1.019 7.030 1.360 1.00 0.00 C ATOM 443 CG2 VAL A1096 3.068 6.521 2.700 1.00 0.00 C ATOM 0 H VAL A1096 2.703 3.892 3.207 1.00 0.00 H new ATOM 0 HA VAL A1096 0.624 5.767 3.761 1.00 0.00 H new ATOM 0 HB VAL A1096 2.204 5.267 1.210 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.637 7.601 0.668 1.00 0.00 H new ATOM 0 HG12 VAL A1096 0.185 6.583 0.818 1.00 0.00 H new ATOM 0 HG13 VAL A1096 0.634 7.693 2.135 1.00 0.00 H new ATOM 0 HG21 VAL A1096 3.653 7.102 1.987 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.740 7.168 3.513 1.00 0.00 H new ATOM 0 HG23 VAL A1096 3.683 5.716 3.102 1.00 0.00 H new ATOM 453 N THR A1097 -1.362 4.744 2.681 1.00 0.00 N ATOM 454 CA THR A1097 -2.546 4.148 2.088 1.00 0.00 C ATOM 455 C THR A1097 -3.321 5.147 1.231 1.00 0.00 C ATOM 456 O THR A1097 -4.271 4.775 0.537 1.00 0.00 O ATOM 457 CB THR A1097 -3.471 3.587 3.176 1.00 0.00 C ATOM 458 OG1 THR A1097 -3.638 4.555 4.221 1.00 0.00 O ATOM 459 CG2 THR A1097 -2.910 2.297 3.750 1.00 0.00 C ATOM 0 H THR A1097 -1.553 5.380 3.455 1.00 0.00 H new ATOM 0 HA THR A1097 -2.204 3.338 1.443 1.00 0.00 H new ATOM 0 HB THR A1097 -4.440 3.370 2.726 1.00 0.00 H new ATOM 0 HG1 THR A1097 -4.231 4.192 4.912 1.00 0.00 H new ATOM 0 HG21 THR A1097 -3.583 1.918 4.519 1.00 0.00 H new ATOM 0 HG22 THR A1097 -2.814 1.557 2.956 1.00 0.00 H new ATOM 0 HG23 THR A1097 -1.930 2.489 4.187 1.00 0.00 H new ATOM 467 N GLY A1098 -2.925 6.410 1.285 1.00 0.00 N ATOM 468 CA GLY A1098 -3.597 7.423 0.497 1.00 0.00 C ATOM 469 C GLY A1098 -2.804 8.707 0.390 1.00 0.00 C ATOM 470 O GLY A1098 -1.705 8.814 0.929 1.00 0.00 O ATOM 0 H GLY A1098 -2.153 6.751 1.858 1.00 0.00 H new ATOM 0 HA2 GLY A1098 -3.784 7.033 -0.503 1.00 0.00 H new ATOM 0 HA3 GLY A1098 -4.568 7.638 0.942 1.00 0.00 H new ATOM 474 N GLU A1099 -3.375 9.684 -0.299 1.00 0.00 N ATOM 475 CA GLU A1099 -2.742 10.981 -0.508 1.00 0.00 C ATOM 476 C GLU A1099 -3.801 12.073 -0.480 1.00 0.00 C ATOM 477 O GLU A1099 -4.899 11.897 -1.008 1.00 0.00 O ATOM 478 CB GLU A1099 -2.017 11.023 -1.859 1.00 0.00 C ATOM 479 CG GLU A1099 -0.904 10.003 -1.999 1.00 0.00 C ATOM 480 CD GLU A1099 -0.361 9.923 -3.412 1.00 0.00 C ATOM 481 OE1 GLU A1099 -1.036 9.323 -4.278 1.00 0.00 O ATOM 482 OE2 GLU A1099 0.748 10.441 -3.664 1.00 0.00 O ATOM 0 H GLU A1099 -4.295 9.600 -0.732 1.00 0.00 H new ATOM 0 HA GLU A1099 -2.014 11.141 0.288 1.00 0.00 H new ATOM 0 HB2 GLU A1099 -2.745 10.862 -2.654 1.00 0.00 H new ATOM 0 HB3 GLU A1099 -1.601 12.020 -2.005 1.00 0.00 H new ATOM 0 HG2 GLU A1099 -0.094 10.259 -1.316 1.00 0.00 H new ATOM 0 HG3 GLU A1099 -1.275 9.023 -1.700 1.00 0.00 H new ATOM 489 N GLU A1100 -3.468 13.196 0.131 1.00 0.00 N ATOM 490 CA GLU A1100 -4.379 14.336 0.185 1.00 0.00 C ATOM 491 C GLU A1100 -3.769 15.507 -0.552 1.00 0.00 C ATOM 492 O GLU A1100 -4.383 16.103 -1.436 1.00 0.00 O ATOM 493 CB GLU A1100 -4.669 14.743 1.632 1.00 0.00 C ATOM 494 CG GLU A1100 -5.652 13.836 2.341 1.00 0.00 C ATOM 495 CD GLU A1100 -7.024 13.852 1.695 1.00 0.00 C ATOM 496 OE1 GLU A1100 -7.668 14.923 1.689 1.00 0.00 O ATOM 497 OE2 GLU A1100 -7.468 12.798 1.201 1.00 0.00 O ATOM 0 H GLU A1100 -2.574 13.347 0.598 1.00 0.00 H new ATOM 0 HA GLU A1100 -5.318 14.045 -0.287 1.00 0.00 H new ATOM 0 HB2 GLU A1100 -3.733 14.754 2.190 1.00 0.00 H new ATOM 0 HB3 GLU A1100 -5.058 15.761 1.641 1.00 0.00 H new ATOM 0 HG2 GLU A1100 -5.266 12.817 2.342 1.00 0.00 H new ATOM 0 HG3 GLU A1100 -5.740 14.144 3.383 1.00 0.00 H new ATOM 504 N ASP A1101 -2.552 15.817 -0.170 1.00 0.00 N ATOM 505 CA ASP A1101 -1.795 16.885 -0.778 1.00 0.00 C ATOM 506 C ASP A1101 -0.501 16.303 -1.319 1.00 0.00 C ATOM 507 O ASP A1101 -0.225 15.124 -1.106 1.00 0.00 O ATOM 508 CB ASP A1101 -1.507 17.973 0.266 1.00 0.00 C ATOM 509 CG ASP A1101 -0.826 19.199 -0.303 1.00 0.00 C ATOM 510 OD1 ASP A1101 -1.531 20.118 -0.755 1.00 0.00 O ATOM 511 OD2 ASP A1101 0.420 19.242 -0.298 1.00 0.00 O ATOM 0 H ASP A1101 -2.056 15.331 0.577 1.00 0.00 H new ATOM 0 HA ASP A1101 -2.359 17.338 -1.593 1.00 0.00 H new ATOM 0 HB2 ASP A1101 -2.445 18.273 0.733 1.00 0.00 H new ATOM 0 HB3 ASP A1101 -0.880 17.552 1.052 1.00 0.00 H new ATOM 516 N GLN A1102 0.282 17.100 -2.006 1.00 0.00 N ATOM 517 CA GLN A1102 1.581 16.657 -2.470 1.00 0.00 C ATOM 518 C GLN A1102 2.489 16.411 -1.277 1.00 0.00 C ATOM 519 O GLN A1102 3.245 15.439 -1.235 1.00 0.00 O ATOM 520 CB GLN A1102 2.204 17.697 -3.403 1.00 0.00 C ATOM 521 CG GLN A1102 3.669 17.441 -3.704 1.00 0.00 C ATOM 522 CD GLN A1102 4.171 18.279 -4.858 1.00 0.00 C ATOM 523 OE1 GLN A1102 4.661 19.391 -4.670 1.00 0.00 O ATOM 524 NE2 GLN A1102 4.046 17.748 -6.063 1.00 0.00 N ATOM 0 H GLN A1102 0.045 18.060 -2.258 1.00 0.00 H new ATOM 0 HA GLN A1102 1.459 15.729 -3.028 1.00 0.00 H new ATOM 0 HB2 GLN A1102 1.647 17.713 -4.340 1.00 0.00 H new ATOM 0 HB3 GLN A1102 2.101 18.685 -2.953 1.00 0.00 H new ATOM 0 HG2 GLN A1102 4.263 17.656 -2.816 1.00 0.00 H new ATOM 0 HG3 GLN A1102 3.811 16.385 -3.935 1.00 0.00 H new ATOM 0 HE21 GLN A1102 3.633 16.822 -6.172 1.00 0.00 H new ATOM 0 HE22 GLN A1102 4.362 18.265 -6.883 1.00 0.00 H new ATOM 533 N GLU A1103 2.376 17.282 -0.289 1.00 0.00 N ATOM 534 CA GLU A1103 3.245 17.232 0.865 1.00 0.00 C ATOM 535 C GLU A1103 2.506 16.690 2.090 1.00 0.00 C ATOM 536 O GLU A1103 2.993 16.774 3.215 1.00 0.00 O ATOM 537 CB GLU A1103 3.798 18.628 1.142 1.00 0.00 C ATOM 538 CG GLU A1103 5.087 18.589 1.921 1.00 0.00 C ATOM 539 CD GLU A1103 5.644 19.958 2.239 1.00 0.00 C ATOM 540 OE1 GLU A1103 5.970 20.713 1.300 1.00 0.00 O ATOM 541 OE2 GLU A1103 5.758 20.284 3.438 1.00 0.00 O ATOM 0 H GLU A1103 1.687 18.034 -0.267 1.00 0.00 H new ATOM 0 HA GLU A1103 4.071 16.552 0.655 1.00 0.00 H new ATOM 0 HB2 GLU A1103 3.963 19.145 0.197 1.00 0.00 H new ATOM 0 HB3 GLU A1103 3.058 19.206 1.696 1.00 0.00 H new ATOM 0 HG2 GLU A1103 4.922 18.048 2.853 1.00 0.00 H new ATOM 0 HG3 GLU A1103 5.828 18.027 1.353 1.00 0.00 H new ATOM 548 N TRP A1104 1.329 16.135 1.863 1.00 0.00 N ATOM 549 CA TRP A1104 0.518 15.566 2.937 1.00 0.00 C ATOM 550 C TRP A1104 -0.180 14.285 2.481 1.00 0.00 C ATOM 551 O TRP A1104 -1.139 14.334 1.706 1.00 0.00 O ATOM 552 CB TRP A1104 -0.526 16.579 3.406 1.00 0.00 C ATOM 553 CG TRP A1104 0.023 17.694 4.247 1.00 0.00 C ATOM 554 CD1 TRP A1104 0.600 18.857 3.814 1.00 0.00 C ATOM 555 CD2 TRP A1104 0.021 17.757 5.675 1.00 0.00 C ATOM 556 NE1 TRP A1104 0.960 19.631 4.885 1.00 0.00 N ATOM 557 CE2 TRP A1104 0.614 18.979 6.038 1.00 0.00 C ATOM 558 CE3 TRP A1104 -0.426 16.897 6.683 1.00 0.00 C ATOM 559 CZ2 TRP A1104 0.769 19.362 7.362 1.00 0.00 C ATOM 560 CZ3 TRP A1104 -0.268 17.281 8.001 1.00 0.00 C ATOM 561 CH2 TRP A1104 0.324 18.507 8.328 1.00 0.00 C ATOM 0 H TRP A1104 0.906 16.064 0.938 1.00 0.00 H new ATOM 0 HA TRP A1104 1.184 15.322 3.765 1.00 0.00 H new ATOM 0 HB2 TRP A1104 -1.016 17.008 2.532 1.00 0.00 H new ATOM 0 HB3 TRP A1104 -1.293 16.054 3.976 1.00 0.00 H new ATOM 0 HD1 TRP A1104 0.750 19.125 2.779 1.00 0.00 H new ATOM 0 HE1 TRP A1104 1.412 20.544 4.832 1.00 0.00 H new ATOM 0 HE3 TRP A1104 -0.886 15.951 6.436 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 1.227 20.306 7.620 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 -0.606 16.626 8.790 1.00 0.00 H new ATOM 0 HH2 TRP A1104 0.431 18.782 9.367 1.00 0.00 H new ATOM 572 N TRP A1105 0.287 13.146 2.971 1.00 0.00 N ATOM 573 CA TRP A1105 -0.244 11.852 2.551 1.00 0.00 C ATOM 574 C TRP A1105 -1.000 11.182 3.687 1.00 0.00 C ATOM 575 O TRP A1105 -0.956 11.638 4.822 1.00 0.00 O ATOM 576 CB TRP A1105 0.888 10.939 2.075 1.00 0.00 C ATOM 577 CG TRP A1105 1.581 11.443 0.849 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.253 12.549 0.130 1.00 0.00 C ATOM 579 CD2 TRP A1105 2.715 10.865 0.201 1.00 0.00 C ATOM 580 NE1 TRP A1105 2.103 12.700 -0.926 1.00 0.00 N ATOM 581 CE2 TRP A1105 3.018 11.678 -0.908 1.00 0.00 C ATOM 582 CE3 TRP A1105 3.508 9.742 0.450 1.00 0.00 C ATOM 583 CZ2 TRP A1105 4.079 11.401 -1.766 1.00 0.00 C ATOM 584 CZ3 TRP A1105 4.559 9.468 -0.402 1.00 0.00 C ATOM 585 CH2 TRP A1105 4.839 10.296 -1.498 1.00 0.00 C ATOM 0 H TRP A1105 1.035 13.089 3.662 1.00 0.00 H new ATOM 0 HA TRP A1105 -0.935 12.025 1.726 1.00 0.00 H new ATOM 0 HB2 TRP A1105 1.618 10.829 2.877 1.00 0.00 H new ATOM 0 HB3 TRP A1105 0.484 9.947 1.873 1.00 0.00 H new ATOM 0 HD1 TRP A1105 0.435 13.214 0.362 1.00 0.00 H new ATOM 0 HE1 TRP A1105 2.065 13.450 -1.616 1.00 0.00 H new ATOM 0 HE3 TRP A1105 3.302 9.100 1.294 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 4.294 12.036 -2.613 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 5.176 8.601 -0.221 1.00 0.00 H new ATOM 0 HH2 TRP A1105 5.671 10.057 -2.143 1.00 0.00 H new ATOM 596 N ILE A1106 -1.680 10.090 3.375 1.00 0.00 N ATOM 597 CA ILE A1106 -2.475 9.368 4.358 1.00 0.00 C ATOM 598 C ILE A1106 -1.903 7.978 4.567 1.00 0.00 C ATOM 599 O ILE A1106 -1.500 7.317 3.611 1.00 0.00 O ATOM 600 CB ILE A1106 -3.943 9.213 3.905 1.00 0.00 C ATOM 601 CG1 ILE A1106 -4.547 10.563 3.528 1.00 0.00 C ATOM 602 CG2 ILE A1106 -4.770 8.553 5.001 1.00 0.00 C ATOM 603 CD1 ILE A1106 -5.924 10.442 2.924 1.00 0.00 C ATOM 0 H ILE A1106 -1.697 9.681 2.441 1.00 0.00 H new ATOM 0 HA ILE A1106 -2.444 9.946 5.281 1.00 0.00 H new ATOM 0 HB ILE A1106 -3.957 8.576 3.021 1.00 0.00 H new ATOM 0 HG12 ILE A1106 -4.599 11.193 4.416 1.00 0.00 H new ATOM 0 HG13 ILE A1106 -3.888 11.065 2.820 1.00 0.00 H new ATOM 0 HG21 ILE A1106 -5.802 8.451 4.666 1.00 0.00 H new ATOM 0 HG22 ILE A1106 -4.361 7.567 5.222 1.00 0.00 H new ATOM 0 HG23 ILE A1106 -4.739 9.168 5.900 1.00 0.00 H new ATOM 0 HD11 ILE A1106 -6.301 11.434 2.677 1.00 0.00 H new ATOM 0 HD12 ILE A1106 -5.872 9.837 2.019 1.00 0.00 H new ATOM 0 HD13 ILE A1106 -6.595 9.967 3.640 1.00 0.00 H new ATOM 615 N GLY A1107 -1.854 7.539 5.807 1.00 0.00 N ATOM 616 CA GLY A1107 -1.395 6.200 6.078 1.00 0.00 C ATOM 617 C GLY A1107 -1.553 5.816 7.526 1.00 0.00 C ATOM 618 O GLY A1107 -2.194 6.528 8.299 1.00 0.00 O ATOM 0 H GLY A1107 -2.122 8.081 6.628 1.00 0.00 H new ATOM 0 HA2 GLY A1107 -1.950 5.497 5.457 1.00 0.00 H new ATOM 0 HA3 GLY A1107 -0.346 6.115 5.796 1.00 0.00 H new ATOM 622 N HIS A1108 -0.962 4.690 7.886 1.00 0.00 N ATOM 623 CA HIS A1108 -1.001 4.195 9.257 1.00 0.00 C ATOM 624 C HIS A1108 0.332 3.561 9.610 1.00 0.00 C ATOM 625 O HIS A1108 1.013 3.013 8.739 1.00 0.00 O ATOM 626 CB HIS A1108 -2.142 3.180 9.456 1.00 0.00 C ATOM 627 CG HIS A1108 -2.084 1.976 8.561 1.00 0.00 C ATOM 628 ND1 HIS A1108 -2.826 1.869 7.411 1.00 0.00 N ATOM 629 CD2 HIS A1108 -1.390 0.816 8.666 1.00 0.00 C ATOM 630 CE1 HIS A1108 -2.595 0.701 6.845 1.00 0.00 C ATOM 631 NE2 HIS A1108 -1.725 0.038 7.585 1.00 0.00 N ATOM 0 H HIS A1108 -0.443 4.093 7.242 1.00 0.00 H new ATOM 0 HA HIS A1108 -1.189 5.040 9.920 1.00 0.00 H new ATOM 0 HB2 HIS A1108 -2.132 2.844 10.493 1.00 0.00 H new ATOM 0 HB3 HIS A1108 -3.093 3.688 9.295 1.00 0.00 H new ATOM 0 HD2 HIS A1108 -0.701 0.552 9.455 1.00 0.00 H new ATOM 0 HE1 HIS A1108 -3.043 0.346 5.929 1.00 0.00 H new ATOM 0 HE2 HIS A1108 -1.363 -0.895 7.387 1.00 0.00 H new ATOM 640 N ILE A1109 0.707 3.645 10.877 1.00 0.00 N ATOM 641 CA ILE A1109 1.971 3.085 11.330 1.00 0.00 C ATOM 642 C ILE A1109 1.975 1.573 11.130 1.00 0.00 C ATOM 643 O ILE A1109 0.970 0.913 11.390 1.00 0.00 O ATOM 644 CB ILE A1109 2.248 3.401 12.817 1.00 0.00 C ATOM 645 CG1 ILE A1109 2.133 4.907 13.093 1.00 0.00 C ATOM 646 CG2 ILE A1109 3.624 2.893 13.222 1.00 0.00 C ATOM 647 CD1 ILE A1109 3.098 5.766 12.310 1.00 0.00 C ATOM 0 H ILE A1109 0.156 4.094 11.608 1.00 0.00 H new ATOM 0 HA ILE A1109 2.759 3.546 10.734 1.00 0.00 H new ATOM 0 HB ILE A1109 1.495 2.888 13.415 1.00 0.00 H new ATOM 0 HG12 ILE A1109 1.116 5.228 12.867 1.00 0.00 H new ATOM 0 HG13 ILE A1109 2.293 5.081 14.157 1.00 0.00 H new ATOM 0 HG21 ILE A1109 3.803 3.124 14.272 1.00 0.00 H new ATOM 0 HG22 ILE A1109 3.671 1.814 13.075 1.00 0.00 H new ATOM 0 HG23 ILE A1109 4.385 3.377 12.610 1.00 0.00 H new ATOM 0 HD11 ILE A1109 2.945 6.814 12.569 1.00 0.00 H new ATOM 0 HD12 ILE A1109 4.121 5.478 12.553 1.00 0.00 H new ATOM 0 HD13 ILE A1109 2.925 5.627 11.243 1.00 0.00 H new ATOM 659 N GLU A1110 3.085 1.043 10.646 1.00 0.00 N ATOM 660 CA GLU A1110 3.182 -0.364 10.279 1.00 0.00 C ATOM 661 C GLU A1110 2.746 -1.277 11.424 1.00 0.00 C ATOM 662 O GLU A1110 1.753 -2.004 11.303 1.00 0.00 O ATOM 663 CB GLU A1110 4.612 -0.688 9.860 1.00 0.00 C ATOM 664 CG GLU A1110 4.775 -2.076 9.273 1.00 0.00 C ATOM 665 CD GLU A1110 6.163 -2.300 8.731 1.00 0.00 C ATOM 666 OE1 GLU A1110 6.507 -1.682 7.710 1.00 0.00 O ATOM 667 OE2 GLU A1110 6.925 -3.090 9.328 1.00 0.00 O ATOM 0 H GLU A1110 3.944 1.572 10.496 1.00 0.00 H new ATOM 0 HA GLU A1110 2.507 -0.543 9.442 1.00 0.00 H new ATOM 0 HB2 GLU A1110 4.942 0.048 9.127 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.266 -0.590 10.726 1.00 0.00 H new ATOM 0 HG2 GLU A1110 4.560 -2.821 10.039 1.00 0.00 H new ATOM 0 HG3 GLU A1110 4.047 -2.220 8.475 1.00 0.00 H new ATOM 674 N GLY A1111 3.470 -1.213 12.537 1.00 0.00 N ATOM 675 CA GLY A1111 3.164 -2.062 13.672 1.00 0.00 C ATOM 676 C GLY A1111 2.077 -1.482 14.553 1.00 0.00 C ATOM 677 O GLY A1111 1.687 -2.085 15.556 1.00 0.00 O ATOM 0 H GLY A1111 4.264 -0.587 12.672 1.00 0.00 H new ATOM 0 HA2 GLY A1111 2.852 -3.043 13.314 1.00 0.00 H new ATOM 0 HA3 GLY A1111 4.067 -2.211 14.264 1.00 0.00 H new ATOM 681 N GLN A1112 1.576 -0.317 14.173 1.00 0.00 N ATOM 682 CA GLN A1112 0.534 0.350 14.937 1.00 0.00 C ATOM 683 C GLN A1112 -0.590 0.810 14.011 1.00 0.00 C ATOM 684 O GLN A1112 -0.676 1.987 13.658 1.00 0.00 O ATOM 685 CB GLN A1112 1.119 1.541 15.701 1.00 0.00 C ATOM 686 CG GLN A1112 0.926 1.467 17.210 1.00 0.00 C ATOM 687 CD GLN A1112 -0.527 1.599 17.635 1.00 0.00 C ATOM 688 OE1 GLN A1112 -1.442 1.210 16.912 1.00 0.00 O ATOM 689 NE2 GLN A1112 -0.749 2.155 18.815 1.00 0.00 N ATOM 0 H GLN A1112 1.875 0.187 13.338 1.00 0.00 H new ATOM 0 HA GLN A1112 0.121 -0.356 15.657 1.00 0.00 H new ATOM 0 HB2 GLN A1112 2.185 1.609 15.485 1.00 0.00 H new ATOM 0 HB3 GLN A1112 0.659 2.457 15.331 1.00 0.00 H new ATOM 0 HG2 GLN A1112 1.319 0.518 17.574 1.00 0.00 H new ATOM 0 HG3 GLN A1112 1.509 2.257 17.684 1.00 0.00 H new ATOM 0 HE21 GLN A1112 0.035 2.466 19.388 1.00 0.00 H new ATOM 0 HE22 GLN A1112 -1.705 2.273 19.152 1.00 0.00 H new ATOM 698 N PRO A1113 -1.476 -0.118 13.617 1.00 0.00 N ATOM 699 CA PRO A1113 -2.580 0.165 12.691 1.00 0.00 C ATOM 700 C PRO A1113 -3.647 1.068 13.302 1.00 0.00 C ATOM 701 O PRO A1113 -4.579 1.491 12.620 1.00 0.00 O ATOM 702 CB PRO A1113 -3.171 -1.220 12.384 1.00 0.00 C ATOM 703 CG PRO A1113 -2.166 -2.201 12.885 1.00 0.00 C ATOM 704 CD PRO A1113 -1.469 -1.526 14.027 1.00 0.00 C ATOM 0 HA PRO A1113 -2.227 0.698 11.808 1.00 0.00 H new ATOM 0 HB2 PRO A1113 -4.132 -1.355 12.879 1.00 0.00 H new ATOM 0 HB3 PRO A1113 -3.343 -1.345 11.315 1.00 0.00 H new ATOM 0 HG2 PRO A1113 -2.648 -3.122 13.211 1.00 0.00 H new ATOM 0 HG3 PRO A1113 -1.459 -2.472 12.101 1.00 0.00 H new ATOM 0 HD2 PRO A1113 -1.995 -1.677 14.970 1.00 0.00 H new ATOM 0 HD3 PRO A1113 -0.456 -1.904 14.164 1.00 0.00 H new ATOM 712 N GLU A1114 -3.513 1.360 14.588 1.00 0.00 N ATOM 713 CA GLU A1114 -4.451 2.236 15.263 1.00 0.00 C ATOM 714 C GLU A1114 -4.058 3.690 15.029 1.00 0.00 C ATOM 715 O GLU A1114 -4.879 4.599 15.151 1.00 0.00 O ATOM 716 CB GLU A1114 -4.487 1.942 16.761 1.00 0.00 C ATOM 717 CG GLU A1114 -5.792 2.345 17.417 1.00 0.00 C ATOM 718 CD GLU A1114 -6.963 1.563 16.869 1.00 0.00 C ATOM 719 OE1 GLU A1114 -7.568 2.006 15.871 1.00 0.00 O ATOM 720 OE2 GLU A1114 -7.281 0.494 17.429 1.00 0.00 O ATOM 0 H GLU A1114 -2.764 1.002 15.181 1.00 0.00 H new ATOM 0 HA GLU A1114 -5.446 2.058 14.854 1.00 0.00 H new ATOM 0 HB2 GLU A1114 -4.322 0.876 16.920 1.00 0.00 H new ATOM 0 HB3 GLU A1114 -3.666 2.468 17.248 1.00 0.00 H new ATOM 0 HG2 GLU A1114 -5.721 2.187 18.493 1.00 0.00 H new ATOM 0 HG3 GLU A1114 -5.962 3.410 17.262 1.00 0.00 H new ATOM 727 N ARG A1115 -2.791 3.898 14.691 1.00 0.00 N ATOM 728 CA ARG A1115 -2.285 5.228 14.389 1.00 0.00 C ATOM 729 C ARG A1115 -2.395 5.500 12.893 1.00 0.00 C ATOM 730 O ARG A1115 -1.495 5.150 12.128 1.00 0.00 O ATOM 731 CB ARG A1115 -0.821 5.368 14.817 1.00 0.00 C ATOM 732 CG ARG A1115 -0.578 5.270 16.314 1.00 0.00 C ATOM 733 CD ARG A1115 0.905 5.409 16.630 1.00 0.00 C ATOM 734 NE ARG A1115 1.168 5.443 18.067 1.00 0.00 N ATOM 735 CZ ARG A1115 2.389 5.457 18.604 1.00 0.00 C ATOM 736 NH1 ARG A1115 3.472 5.380 17.837 1.00 0.00 N ATOM 737 NH2 ARG A1115 2.531 5.541 19.920 1.00 0.00 N ATOM 0 H ARG A1115 -2.093 3.157 14.619 1.00 0.00 H new ATOM 0 HA ARG A1115 -2.885 5.950 14.943 1.00 0.00 H new ATOM 0 HB2 ARG A1115 -0.237 4.595 14.318 1.00 0.00 H new ATOM 0 HB3 ARG A1115 -0.445 6.329 14.465 1.00 0.00 H new ATOM 0 HG2 ARG A1115 -1.139 6.049 16.830 1.00 0.00 H new ATOM 0 HG3 ARG A1115 -0.946 4.313 16.685 1.00 0.00 H new ATOM 0 HD2 ARG A1115 1.448 4.576 16.184 1.00 0.00 H new ATOM 0 HD3 ARG A1115 1.287 6.321 16.172 1.00 0.00 H new ATOM 0 HE ARG A1115 0.368 5.457 18.699 1.00 0.00 H new ATOM 0 HH11 ARG A1115 3.376 5.309 16.824 1.00 0.00 H new ATOM 0 HH12 ARG A1115 4.399 5.392 18.261 1.00 0.00 H new ATOM 0 HH21 ARG A1115 1.707 5.595 20.519 1.00 0.00 H new ATOM 0 HH22 ARG A1115 3.464 5.552 20.333 1.00 0.00 H new ATOM 751 N LYS A1116 -3.500 6.105 12.477 1.00 0.00 N ATOM 752 CA LYS A1116 -3.695 6.446 11.071 1.00 0.00 C ATOM 753 C LYS A1116 -4.195 7.875 10.928 1.00 0.00 C ATOM 754 O LYS A1116 -4.826 8.415 11.838 1.00 0.00 O ATOM 755 CB LYS A1116 -4.674 5.488 10.370 1.00 0.00 C ATOM 756 CG LYS A1116 -5.172 4.328 11.224 1.00 0.00 C ATOM 757 CD LYS A1116 -6.312 4.745 12.141 1.00 0.00 C ATOM 758 CE LYS A1116 -7.533 5.175 11.346 1.00 0.00 C ATOM 759 NZ LYS A1116 -8.662 5.562 12.227 1.00 0.00 N ATOM 0 H LYS A1116 -4.272 6.369 13.089 1.00 0.00 H new ATOM 0 HA LYS A1116 -2.723 6.348 10.588 1.00 0.00 H new ATOM 0 HB2 LYS A1116 -5.535 6.061 10.027 1.00 0.00 H new ATOM 0 HB3 LYS A1116 -4.188 5.082 9.483 1.00 0.00 H new ATOM 0 HG2 LYS A1116 -5.506 3.518 10.576 1.00 0.00 H new ATOM 0 HG3 LYS A1116 -4.349 3.939 11.823 1.00 0.00 H new ATOM 0 HD2 LYS A1116 -6.576 3.915 12.796 1.00 0.00 H new ATOM 0 HD3 LYS A1116 -5.985 5.565 12.781 1.00 0.00 H new ATOM 0 HE2 LYS A1116 -7.270 6.015 10.704 1.00 0.00 H new ATOM 0 HE3 LYS A1116 -7.846 4.360 10.693 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 -9.475 5.848 11.644 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 -8.931 4.753 12.822 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 -8.373 6.356 12.833 1.00 0.00 H new ATOM 773 N GLY A1117 -3.902 8.475 9.785 1.00 0.00 N ATOM 774 CA GLY A1117 -4.291 9.845 9.530 1.00 0.00 C ATOM 775 C GLY A1117 -3.468 10.451 8.417 1.00 0.00 C ATOM 776 O GLY A1117 -2.798 9.727 7.674 1.00 0.00 O ATOM 0 H GLY A1117 -3.395 8.030 9.020 1.00 0.00 H new ATOM 0 HA2 GLY A1117 -5.348 9.882 9.265 1.00 0.00 H new ATOM 0 HA3 GLY A1117 -4.169 10.435 10.438 1.00 0.00 H new ATOM 780 N VAL A1118 -3.511 11.768 8.298 1.00 0.00 N ATOM 781 CA VAL A1118 -2.750 12.461 7.269 1.00 0.00 C ATOM 782 C VAL A1118 -1.472 13.060 7.856 1.00 0.00 C ATOM 783 O VAL A1118 -1.508 13.755 8.868 1.00 0.00 O ATOM 784 CB VAL A1118 -3.577 13.578 6.599 1.00 0.00 C ATOM 785 CG1 VAL A1118 -2.869 14.080 5.353 1.00 0.00 C ATOM 786 CG2 VAL A1118 -4.977 13.090 6.261 1.00 0.00 C ATOM 0 H VAL A1118 -4.064 12.379 8.900 1.00 0.00 H new ATOM 0 HA VAL A1118 -2.493 11.722 6.510 1.00 0.00 H new ATOM 0 HB VAL A1118 -3.671 14.405 7.303 1.00 0.00 H new ATOM 0 HG11 VAL A1118 -3.463 14.868 4.890 1.00 0.00 H new ATOM 0 HG12 VAL A1118 -1.890 14.476 5.625 1.00 0.00 H new ATOM 0 HG13 VAL A1118 -2.745 13.257 4.649 1.00 0.00 H new ATOM 0 HG21 VAL A1118 -5.539 13.896 5.790 1.00 0.00 H new ATOM 0 HG22 VAL A1118 -4.912 12.244 5.576 1.00 0.00 H new ATOM 0 HG23 VAL A1118 -5.484 12.779 7.174 1.00 0.00 H new ATOM 796 N PHE A1119 -0.351 12.789 7.215 1.00 0.00 N ATOM 797 CA PHE A1119 0.948 13.224 7.713 1.00 0.00 C ATOM 798 C PHE A1119 1.728 13.984 6.641 1.00 0.00 C ATOM 799 O PHE A1119 1.590 13.708 5.447 1.00 0.00 O ATOM 800 CB PHE A1119 1.754 12.012 8.201 1.00 0.00 C ATOM 801 CG PHE A1119 1.803 10.871 7.223 1.00 0.00 C ATOM 802 CD1 PHE A1119 2.795 10.797 6.259 1.00 0.00 C ATOM 803 CD2 PHE A1119 0.854 9.867 7.280 1.00 0.00 C ATOM 804 CE1 PHE A1119 2.834 9.741 5.367 1.00 0.00 C ATOM 805 CE2 PHE A1119 0.888 8.815 6.394 1.00 0.00 C ATOM 806 CZ PHE A1119 1.878 8.748 5.437 1.00 0.00 C ATOM 0 H PHE A1119 -0.310 12.265 6.341 1.00 0.00 H new ATOM 0 HA PHE A1119 0.782 13.904 8.548 1.00 0.00 H new ATOM 0 HB2 PHE A1119 2.773 12.332 8.421 1.00 0.00 H new ATOM 0 HB3 PHE A1119 1.323 11.656 9.137 1.00 0.00 H new ATOM 0 HD1 PHE A1119 3.545 11.572 6.203 1.00 0.00 H new ATOM 0 HD2 PHE A1119 0.077 9.909 8.029 1.00 0.00 H new ATOM 0 HE1 PHE A1119 3.610 9.693 4.618 1.00 0.00 H new ATOM 0 HE2 PHE A1119 0.138 8.040 6.448 1.00 0.00 H new ATOM 0 HZ PHE A1119 1.905 7.920 4.744 1.00 0.00 H new ATOM 816 N PRO A1120 2.542 14.971 7.058 1.00 0.00 N ATOM 817 CA PRO A1120 3.351 15.763 6.139 1.00 0.00 C ATOM 818 C PRO A1120 4.576 15.009 5.638 1.00 0.00 C ATOM 819 O PRO A1120 5.366 14.475 6.421 1.00 0.00 O ATOM 820 CB PRO A1120 3.778 16.968 6.974 1.00 0.00 C ATOM 821 CG PRO A1120 3.761 16.487 8.381 1.00 0.00 C ATOM 822 CD PRO A1120 2.723 15.395 8.458 1.00 0.00 C ATOM 0 HA PRO A1120 2.791 16.026 5.242 1.00 0.00 H new ATOM 0 HB2 PRO A1120 4.771 17.315 6.687 1.00 0.00 H new ATOM 0 HB3 PRO A1120 3.095 17.806 6.835 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.741 16.109 8.672 1.00 0.00 H new ATOM 0 HG3 PRO A1120 3.517 17.300 9.064 1.00 0.00 H new ATOM 0 HD2 PRO A1120 3.059 14.569 9.084 1.00 0.00 H new ATOM 0 HD3 PRO A1120 1.790 15.761 8.887 1.00 0.00 H new ATOM 830 N VAL A1121 4.732 14.995 4.323 1.00 0.00 N ATOM 831 CA VAL A1121 5.850 14.330 3.671 1.00 0.00 C ATOM 832 C VAL A1121 7.165 15.036 4.009 1.00 0.00 C ATOM 833 O VAL A1121 8.245 14.464 3.888 1.00 0.00 O ATOM 834 CB VAL A1121 5.640 14.288 2.139 1.00 0.00 C ATOM 835 CG1 VAL A1121 6.809 13.621 1.430 1.00 0.00 C ATOM 836 CG2 VAL A1121 4.343 13.566 1.799 1.00 0.00 C ATOM 0 H VAL A1121 4.085 15.446 3.676 1.00 0.00 H new ATOM 0 HA VAL A1121 5.901 13.306 4.040 1.00 0.00 H new ATOM 0 HB VAL A1121 5.579 15.318 1.789 1.00 0.00 H new ATOM 0 HG11 VAL A1121 6.625 13.610 0.356 1.00 0.00 H new ATOM 0 HG12 VAL A1121 7.724 14.176 1.636 1.00 0.00 H new ATOM 0 HG13 VAL A1121 6.917 12.598 1.790 1.00 0.00 H new ATOM 0 HG21 VAL A1121 4.211 13.546 0.717 1.00 0.00 H new ATOM 0 HG22 VAL A1121 4.384 12.545 2.179 1.00 0.00 H new ATOM 0 HG23 VAL A1121 3.504 14.090 2.257 1.00 0.00 H new ATOM 846 N SER A1122 7.054 16.273 4.475 1.00 0.00 N ATOM 847 CA SER A1122 8.212 17.071 4.851 1.00 0.00 C ATOM 848 C SER A1122 8.974 16.452 6.020 1.00 0.00 C ATOM 849 O SER A1122 10.175 16.674 6.178 1.00 0.00 O ATOM 850 CB SER A1122 7.751 18.480 5.205 1.00 0.00 C ATOM 851 OG SER A1122 6.335 18.530 5.306 1.00 0.00 O ATOM 0 H SER A1122 6.161 16.750 4.602 1.00 0.00 H new ATOM 0 HA SER A1122 8.897 17.104 4.004 1.00 0.00 H new ATOM 0 HB2 SER A1122 8.200 18.789 6.149 1.00 0.00 H new ATOM 0 HB3 SER A1122 8.092 19.182 4.444 1.00 0.00 H new ATOM 0 HG SER A1122 6.000 19.311 4.818 1.00 0.00 H new ATOM 857 N PHE A1123 8.278 15.666 6.830 1.00 0.00 N ATOM 858 CA PHE A1123 8.868 15.115 8.042 1.00 0.00 C ATOM 859 C PHE A1123 9.096 13.609 7.904 1.00 0.00 C ATOM 860 O PHE A1123 9.550 12.945 8.843 1.00 0.00 O ATOM 861 CB PHE A1123 7.968 15.393 9.252 1.00 0.00 C ATOM 862 CG PHE A1123 7.758 16.851 9.587 1.00 0.00 C ATOM 863 CD1 PHE A1123 7.484 17.786 8.601 1.00 0.00 C ATOM 864 CD2 PHE A1123 7.788 17.274 10.904 1.00 0.00 C ATOM 865 CE1 PHE A1123 7.245 19.100 8.913 1.00 0.00 C ATOM 866 CE2 PHE A1123 7.556 18.595 11.230 1.00 0.00 C ATOM 867 CZ PHE A1123 7.279 19.513 10.228 1.00 0.00 C ATOM 0 H PHE A1123 7.307 15.396 6.671 1.00 0.00 H new ATOM 0 HA PHE A1123 9.832 15.601 8.195 1.00 0.00 H new ATOM 0 HB2 PHE A1123 6.995 14.936 9.071 1.00 0.00 H new ATOM 0 HB3 PHE A1123 8.396 14.896 10.123 1.00 0.00 H new ATOM 0 HD1 PHE A1123 7.458 17.474 7.567 1.00 0.00 H new ATOM 0 HD2 PHE A1123 7.996 16.561 11.688 1.00 0.00 H new ATOM 0 HE1 PHE A1123 7.030 19.811 8.129 1.00 0.00 H new ATOM 0 HE2 PHE A1123 7.590 18.913 12.262 1.00 0.00 H new ATOM 0 HZ PHE A1123 7.091 20.547 10.477 1.00 0.00 H new ATOM 877 N VAL A1124 8.785 13.067 6.734 1.00 0.00 N ATOM 878 CA VAL A1124 8.949 11.635 6.496 1.00 0.00 C ATOM 879 C VAL A1124 9.779 11.379 5.247 1.00 0.00 C ATOM 880 O VAL A1124 9.993 12.278 4.433 1.00 0.00 O ATOM 881 CB VAL A1124 7.591 10.899 6.375 1.00 0.00 C ATOM 882 CG1 VAL A1124 6.913 10.792 7.731 1.00 0.00 C ATOM 883 CG2 VAL A1124 6.675 11.604 5.391 1.00 0.00 C ATOM 0 H VAL A1124 8.420 13.591 5.939 1.00 0.00 H new ATOM 0 HA VAL A1124 9.472 11.237 7.365 1.00 0.00 H new ATOM 0 HB VAL A1124 7.791 9.894 6.003 1.00 0.00 H new ATOM 0 HG11 VAL A1124 5.961 10.272 7.622 1.00 0.00 H new ATOM 0 HG12 VAL A1124 7.554 10.236 8.415 1.00 0.00 H new ATOM 0 HG13 VAL A1124 6.737 11.791 8.130 1.00 0.00 H new ATOM 0 HG21 VAL A1124 5.729 11.067 5.325 1.00 0.00 H new ATOM 0 HG22 VAL A1124 6.491 12.623 5.731 1.00 0.00 H new ATOM 0 HG23 VAL A1124 7.147 11.629 4.409 1.00 0.00 H new ATOM 893 N HIS A1125 10.260 10.155 5.107 1.00 0.00 N ATOM 894 CA HIS A1125 11.090 9.797 3.976 1.00 0.00 C ATOM 895 C HIS A1125 10.473 8.632 3.231 1.00 0.00 C ATOM 896 O HIS A1125 10.143 7.605 3.825 1.00 0.00 O ATOM 897 CB HIS A1125 12.502 9.450 4.445 1.00 0.00 C ATOM 898 CG HIS A1125 13.445 9.052 3.350 1.00 0.00 C ATOM 899 ND1 HIS A1125 13.684 9.827 2.239 1.00 0.00 N ATOM 900 CD2 HIS A1125 14.226 7.956 3.212 1.00 0.00 C ATOM 901 CE1 HIS A1125 14.570 9.228 1.469 1.00 0.00 C ATOM 902 NE2 HIS A1125 14.920 8.090 2.035 1.00 0.00 N ATOM 0 H HIS A1125 10.088 9.394 5.764 1.00 0.00 H new ATOM 0 HA HIS A1125 11.154 10.648 3.299 1.00 0.00 H new ATOM 0 HB2 HIS A1125 12.918 10.310 4.969 1.00 0.00 H new ATOM 0 HB3 HIS A1125 12.441 8.636 5.167 1.00 0.00 H new ATOM 0 HD2 HIS A1125 14.292 7.127 3.901 1.00 0.00 H new ATOM 0 HE1 HIS A1125 14.947 9.606 0.530 1.00 0.00 H new ATOM 0 HE2 HIS A1125 15.593 7.421 1.661 1.00 0.00 H new ATOM 911 N ILE A1126 10.328 8.802 1.935 1.00 0.00 N ATOM 912 CA ILE A1126 9.708 7.793 1.092 1.00 0.00 C ATOM 913 C ILE A1126 10.616 6.576 0.965 1.00 0.00 C ATOM 914 O ILE A1126 11.777 6.682 0.562 1.00 0.00 O ATOM 915 CB ILE A1126 9.351 8.355 -0.311 1.00 0.00 C ATOM 916 CG1 ILE A1126 8.031 9.139 -0.274 1.00 0.00 C ATOM 917 CG2 ILE A1126 9.258 7.242 -1.345 1.00 0.00 C ATOM 918 CD1 ILE A1126 8.073 10.426 0.524 1.00 0.00 C ATOM 0 H ILE A1126 10.633 9.637 1.435 1.00 0.00 H new ATOM 0 HA ILE A1126 8.776 7.491 1.570 1.00 0.00 H new ATOM 0 HB ILE A1126 10.154 9.033 -0.600 1.00 0.00 H new ATOM 0 HG12 ILE A1126 7.736 9.373 -1.297 1.00 0.00 H new ATOM 0 HG13 ILE A1126 7.256 8.496 0.142 1.00 0.00 H new ATOM 0 HG21 ILE A1126 9.007 7.668 -2.316 1.00 0.00 H new ATOM 0 HG22 ILE A1126 10.216 6.726 -1.412 1.00 0.00 H new ATOM 0 HG23 ILE A1126 8.485 6.534 -1.048 1.00 0.00 H new ATOM 0 HD11 ILE A1126 7.095 10.907 0.491 1.00 0.00 H new ATOM 0 HD12 ILE A1126 8.333 10.204 1.559 1.00 0.00 H new ATOM 0 HD13 ILE A1126 8.821 11.094 0.097 1.00 0.00 H new ATOM 930 N LEU A1127 10.076 5.424 1.322 1.00 0.00 N ATOM 931 CA LEU A1127 10.825 4.181 1.310 1.00 0.00 C ATOM 932 C LEU A1127 10.533 3.397 0.040 1.00 0.00 C ATOM 933 O LEU A1127 10.115 2.240 0.082 1.00 0.00 O ATOM 934 CB LEU A1127 10.481 3.351 2.545 1.00 0.00 C ATOM 935 CG LEU A1127 10.743 4.053 3.875 1.00 0.00 C ATOM 936 CD1 LEU A1127 10.184 3.240 5.028 1.00 0.00 C ATOM 937 CD2 LEU A1127 12.234 4.292 4.067 1.00 0.00 C ATOM 0 H LEU A1127 9.108 5.324 1.628 1.00 0.00 H new ATOM 0 HA LEU A1127 11.890 4.412 1.331 1.00 0.00 H new ATOM 0 HB2 LEU A1127 9.428 3.072 2.498 1.00 0.00 H new ATOM 0 HB3 LEU A1127 11.057 2.426 2.517 1.00 0.00 H new ATOM 0 HG LEU A1127 10.237 5.018 3.858 1.00 0.00 H new ATOM 0 HD11 LEU A1127 10.381 3.757 5.967 1.00 0.00 H new ATOM 0 HD12 LEU A1127 9.108 3.118 4.899 1.00 0.00 H new ATOM 0 HD13 LEU A1127 10.661 2.260 5.047 1.00 0.00 H new ATOM 0 HD21 LEU A1127 12.402 4.793 5.020 1.00 0.00 H new ATOM 0 HD22 LEU A1127 12.759 3.337 4.062 1.00 0.00 H new ATOM 0 HD23 LEU A1127 12.610 4.917 3.257 1.00 0.00 H new ATOM 949 N SER A1128 10.726 4.055 -1.085 1.00 0.00 N ATOM 950 CA SER A1128 10.644 3.408 -2.379 1.00 0.00 C ATOM 951 C SER A1128 12.008 3.522 -3.049 1.00 0.00 C ATOM 952 O SER A1128 12.150 3.391 -4.263 1.00 0.00 O ATOM 953 CB SER A1128 9.553 4.065 -3.233 1.00 0.00 C ATOM 954 OG SER A1128 9.288 3.317 -4.409 1.00 0.00 O ATOM 0 H SER A1128 10.944 5.051 -1.128 1.00 0.00 H new ATOM 0 HA SER A1128 10.378 2.357 -2.264 1.00 0.00 H new ATOM 0 HB2 SER A1128 8.639 4.158 -2.647 1.00 0.00 H new ATOM 0 HB3 SER A1128 9.862 5.074 -3.505 1.00 0.00 H new ATOM 0 HG SER A1128 10.130 3.131 -4.875 1.00 0.00 H new ATOM 960 N ASP A1129 13.011 3.765 -2.217 1.00 0.00 N ATOM 961 CA ASP A1129 14.371 3.993 -2.674 1.00 0.00 C ATOM 962 C ASP A1129 15.180 2.711 -2.557 1.00 0.00 C ATOM 963 O ASP A1129 15.525 2.326 -1.419 1.00 0.00 O ATOM 964 CB ASP A1129 15.021 5.106 -1.847 1.00 0.00 C ATOM 965 CG ASP A1129 16.451 5.393 -2.258 1.00 0.00 C ATOM 966 OD1 ASP A1129 16.658 6.191 -3.196 1.00 0.00 O ATOM 967 OD2 ASP A1129 17.377 4.842 -1.629 1.00 0.00 O ATOM 968 OXT ASP A1129 15.444 2.077 -3.598 1.00 0.00 O ATOM 0 H ASP A1129 12.902 3.809 -1.204 1.00 0.00 H new ATOM 0 HA ASP A1129 14.348 4.300 -3.720 1.00 0.00 H new ATOM 0 HB2 ASP A1129 14.431 6.017 -1.947 1.00 0.00 H new ATOM 0 HB3 ASP A1129 15.001 4.827 -0.794 1.00 0.00 H new TER 973 ASP A1129 ATOM 974 N CYS B1578 17.520 8.401 14.086 1.00 0.00 N ATOM 975 CA CYS B1578 18.430 9.436 13.558 1.00 0.00 C ATOM 976 C CYS B1578 17.635 10.561 12.914 1.00 0.00 C ATOM 977 O CYS B1578 16.990 10.357 11.885 1.00 0.00 O ATOM 978 CB CYS B1578 19.362 8.819 12.515 1.00 0.00 C ATOM 979 SG CYS B1578 20.236 7.345 13.087 1.00 0.00 S ATOM 0 HA CYS B1578 19.015 9.839 14.384 1.00 0.00 H new ATOM 0 HB2 CYS B1578 18.780 8.563 11.630 1.00 0.00 H new ATOM 0 HB3 CYS B1578 20.094 9.567 12.210 1.00 0.00 H new ATOM 0 HG CYS B1578 20.997 6.895 12.134 1.00 0.00 H new ATOM 987 N ILE B1579 17.670 11.739 13.525 1.00 0.00 N ATOM 988 CA ILE B1579 17.008 12.901 12.957 1.00 0.00 C ATOM 989 C ILE B1579 17.715 13.340 11.688 1.00 0.00 C ATOM 990 O ILE B1579 18.941 13.484 11.658 1.00 0.00 O ATOM 991 CB ILE B1579 16.958 14.096 13.936 1.00 0.00 C ATOM 992 CG1 ILE B1579 16.016 13.802 15.101 1.00 0.00 C ATOM 993 CG2 ILE B1579 16.526 15.370 13.216 1.00 0.00 C ATOM 994 CD1 ILE B1579 15.767 15.009 15.978 1.00 0.00 C ATOM 0 H ILE B1579 18.148 11.912 14.409 1.00 0.00 H new ATOM 0 HA ILE B1579 15.984 12.598 12.740 1.00 0.00 H new ATOM 0 HB ILE B1579 17.962 14.247 14.332 1.00 0.00 H new ATOM 0 HG12 ILE B1579 15.065 13.441 14.710 1.00 0.00 H new ATOM 0 HG13 ILE B1579 16.436 13.000 15.707 1.00 0.00 H new ATOM 0 HG21 ILE B1579 16.498 16.197 13.925 1.00 0.00 H new ATOM 0 HG22 ILE B1579 17.236 15.597 12.421 1.00 0.00 H new ATOM 0 HG23 ILE B1579 15.534 15.227 12.787 1.00 0.00 H new ATOM 0 HD11 ILE B1579 15.090 14.737 16.788 1.00 0.00 H new ATOM 0 HD12 ILE B1579 16.712 15.356 16.396 1.00 0.00 H new ATOM 0 HD13 ILE B1579 15.319 15.805 15.383 1.00 0.00 H new ATOM 1006 N ILE B1580 16.941 13.535 10.644 1.00 0.00 N ATOM 1007 CA ILE B1580 17.464 14.053 9.400 1.00 0.00 C ATOM 1008 C ILE B1580 17.570 15.567 9.486 1.00 0.00 C ATOM 1009 O ILE B1580 16.655 16.219 9.959 1.00 0.00 O ATOM 1010 CB ILE B1580 16.579 13.620 8.201 1.00 0.00 C ATOM 1011 CG1 ILE B1580 17.074 12.291 7.635 1.00 0.00 C ATOM 1012 CG2 ILE B1580 16.527 14.675 7.110 1.00 0.00 C ATOM 1013 CD1 ILE B1580 17.014 11.169 8.635 1.00 0.00 C ATOM 0 H ILE B1580 15.940 13.341 10.633 1.00 0.00 H new ATOM 0 HA ILE B1580 18.459 13.639 9.233 1.00 0.00 H new ATOM 0 HB ILE B1580 15.562 13.498 8.575 1.00 0.00 H new ATOM 0 HG12 ILE B1580 16.474 12.027 6.764 1.00 0.00 H new ATOM 0 HG13 ILE B1580 18.101 12.409 7.290 1.00 0.00 H new ATOM 0 HG21 ILE B1580 15.895 14.324 6.294 1.00 0.00 H new ATOM 0 HG22 ILE B1580 16.115 15.599 7.516 1.00 0.00 H new ATOM 0 HG23 ILE B1580 17.534 14.861 6.735 1.00 0.00 H new ATOM 0 HD11 ILE B1580 17.379 10.251 8.174 1.00 0.00 H new ATOM 0 HD12 ILE B1580 17.636 11.415 9.496 1.00 0.00 H new ATOM 0 HD13 ILE B1580 15.984 11.027 8.961 1.00 0.00 H new ATOM 1025 N SER B1581 18.724 16.090 9.099 1.00 0.00 N ATOM 1026 CA SER B1581 18.956 17.528 9.006 1.00 0.00 C ATOM 1027 C SER B1581 18.457 18.275 10.250 1.00 0.00 C ATOM 1028 O SER B1581 18.599 17.802 11.386 1.00 0.00 O ATOM 1029 CB SER B1581 18.245 18.059 7.757 1.00 0.00 C ATOM 1030 OG SER B1581 18.739 19.335 7.370 1.00 0.00 O ATOM 0 H SER B1581 19.533 15.526 8.838 1.00 0.00 H new ATOM 0 HA SER B1581 20.030 17.700 8.939 1.00 0.00 H new ATOM 0 HB2 SER B1581 18.377 17.354 6.936 1.00 0.00 H new ATOM 0 HB3 SER B1581 17.174 18.127 7.950 1.00 0.00 H new ATOM 0 HG SER B1581 18.264 19.641 6.569 1.00 0.00 H new ATOM 1036 N ALA B1582 17.913 19.458 10.013 1.00 0.00 N ATOM 1037 CA ALA B1582 17.200 20.213 11.022 1.00 0.00 C ATOM 1038 C ALA B1582 15.709 20.155 10.715 1.00 0.00 C ATOM 1039 O ALA B1582 15.323 20.013 9.553 1.00 0.00 O ATOM 1040 CB ALA B1582 17.681 21.652 11.041 1.00 0.00 C ATOM 0 H ALA B1582 17.956 19.922 9.106 1.00 0.00 H new ATOM 0 HA ALA B1582 17.388 19.781 12.005 1.00 0.00 H new ATOM 0 HB1 ALA B1582 17.136 22.208 11.804 1.00 0.00 H new ATOM 0 HB2 ALA B1582 18.747 21.676 11.266 1.00 0.00 H new ATOM 0 HB3 ALA B1582 17.506 22.107 10.066 1.00 0.00 H new ATOM 1046 N MET B1583 14.883 20.266 11.748 1.00 0.00 N ATOM 1047 CA MET B1583 13.434 20.132 11.606 1.00 0.00 C ATOM 1048 C MET B1583 12.865 21.074 10.550 1.00 0.00 C ATOM 1049 O MET B1583 13.173 22.267 10.534 1.00 0.00 O ATOM 1050 CB MET B1583 12.743 20.372 12.952 1.00 0.00 C ATOM 1051 CG MET B1583 11.238 20.558 12.843 1.00 0.00 C ATOM 1052 SD MET B1583 10.345 19.785 14.200 1.00 0.00 S ATOM 1053 CE MET B1583 10.685 18.066 13.843 1.00 0.00 C ATOM 0 H MET B1583 15.193 20.450 12.702 1.00 0.00 H new ATOM 0 HA MET B1583 13.238 19.113 11.273 1.00 0.00 H new ATOM 0 HB2 MET B1583 12.949 19.529 13.611 1.00 0.00 H new ATOM 0 HB3 MET B1583 13.176 21.256 13.420 1.00 0.00 H new ATOM 0 HG2 MET B1583 11.008 21.623 12.822 1.00 0.00 H new ATOM 0 HG3 MET B1583 10.891 20.138 11.899 1.00 0.00 H new ATOM 0 HE1 MET B1583 10.962 17.551 14.763 1.00 0.00 H new ATOM 0 HE2 MET B1583 9.795 17.599 13.420 1.00 0.00 H new ATOM 0 HE3 MET B1583 11.505 17.998 13.128 1.00 0.00 H new ATOM 1063 N PRO B1584 12.015 20.537 9.659 1.00 0.00 N ATOM 1064 CA PRO B1584 11.350 21.311 8.632 1.00 0.00 C ATOM 1065 C PRO B1584 10.104 21.983 9.177 1.00 0.00 C ATOM 1066 O PRO B1584 9.803 21.892 10.372 1.00 0.00 O ATOM 1067 CB PRO B1584 10.990 20.261 7.586 1.00 0.00 C ATOM 1068 CG PRO B1584 10.762 19.018 8.367 1.00 0.00 C ATOM 1069 CD PRO B1584 11.619 19.119 9.600 1.00 0.00 C ATOM 0 HA PRO B1584 11.968 22.117 8.236 1.00 0.00 H new ATOM 0 HB2 PRO B1584 10.099 20.547 7.027 1.00 0.00 H new ATOM 0 HB3 PRO B1584 11.793 20.132 6.861 1.00 0.00 H new ATOM 0 HG2 PRO B1584 9.710 18.916 8.634 1.00 0.00 H new ATOM 0 HG3 PRO B1584 11.029 18.138 7.781 1.00 0.00 H new ATOM 0 HD2 PRO B1584 11.067 18.824 10.492 1.00 0.00 H new ATOM 0 HD3 PRO B1584 12.489 18.466 9.533 1.00 0.00 H new ATOM 1077 N THR B1585 9.380 22.647 8.311 1.00 0.00 N ATOM 1078 CA THR B1585 8.222 23.393 8.729 1.00 0.00 C ATOM 1079 C THR B1585 6.961 22.706 8.248 1.00 0.00 C ATOM 1080 O THR B1585 6.878 22.285 7.092 1.00 0.00 O ATOM 1081 CB THR B1585 8.262 24.827 8.176 1.00 0.00 C ATOM 1082 OG1 THR B1585 9.579 25.366 8.336 1.00 0.00 O ATOM 1083 CG2 THR B1585 7.259 25.717 8.897 1.00 0.00 C ATOM 0 H THR B1585 9.573 22.686 7.310 1.00 0.00 H new ATOM 0 HA THR B1585 8.224 23.437 9.818 1.00 0.00 H new ATOM 0 HB THR B1585 7.999 24.795 7.119 1.00 0.00 H new ATOM 0 HG1 THR B1585 9.604 26.279 7.982 1.00 0.00 H new ATOM 0 HG21 THR B1585 7.307 26.726 8.487 1.00 0.00 H new ATOM 0 HG22 THR B1585 6.254 25.318 8.760 1.00 0.00 H new ATOM 0 HG23 THR B1585 7.497 25.746 9.960 1.00 0.00 H new ATOM 1091 N LYS B1586 6.002 22.555 9.146 1.00 0.00 N ATOM 1092 CA LYS B1586 4.700 22.055 8.776 1.00 0.00 C ATOM 1093 C LYS B1586 4.098 23.000 7.751 1.00 0.00 C ATOM 1094 O LYS B1586 3.720 24.125 8.073 1.00 0.00 O ATOM 1095 CB LYS B1586 3.803 21.949 10.002 1.00 0.00 C ATOM 1096 CG LYS B1586 2.560 21.120 9.764 1.00 0.00 C ATOM 1097 CD LYS B1586 1.599 21.227 10.929 1.00 0.00 C ATOM 1098 CE LYS B1586 2.191 20.649 12.205 1.00 0.00 C ATOM 1099 NZ LYS B1586 1.381 21.007 13.399 1.00 0.00 N ATOM 0 H LYS B1586 6.106 22.774 10.137 1.00 0.00 H new ATOM 0 HA LYS B1586 4.792 21.057 8.347 1.00 0.00 H new ATOM 0 HB2 LYS B1586 4.371 21.512 10.823 1.00 0.00 H new ATOM 0 HB3 LYS B1586 3.509 22.950 10.316 1.00 0.00 H new ATOM 0 HG2 LYS B1586 2.067 21.453 8.851 1.00 0.00 H new ATOM 0 HG3 LYS B1586 2.839 20.077 9.614 1.00 0.00 H new ATOM 0 HD2 LYS B1586 1.339 22.273 11.091 1.00 0.00 H new ATOM 0 HD3 LYS B1586 0.675 20.702 10.687 1.00 0.00 H new ATOM 0 HE2 LYS B1586 2.252 19.564 12.119 1.00 0.00 H new ATOM 0 HE3 LYS B1586 3.209 21.016 12.333 1.00 0.00 H new ATOM 0 HZ1 LYS B1586 1.816 20.595 14.249 1.00 0.00 H new ATOM 0 HZ2 LYS B1586 1.344 22.042 13.496 1.00 0.00 H new ATOM 0 HZ3 LYS B1586 0.416 20.635 13.288 1.00 0.00 H new ATOM 1113 N SER B1587 4.040 22.542 6.517 1.00 0.00 N ATOM 1114 CA SER B1587 3.660 23.384 5.388 1.00 0.00 C ATOM 1115 C SER B1587 2.199 23.819 5.440 1.00 0.00 C ATOM 1116 O SER B1587 1.761 24.615 4.608 1.00 0.00 O ATOM 1117 CB SER B1587 3.923 22.632 4.091 1.00 0.00 C ATOM 1118 OG SER B1587 3.439 21.304 4.181 1.00 0.00 O ATOM 0 H SER B1587 4.254 21.578 6.263 1.00 0.00 H new ATOM 0 HA SER B1587 4.264 24.290 5.439 1.00 0.00 H new ATOM 0 HB2 SER B1587 3.439 23.146 3.261 1.00 0.00 H new ATOM 0 HB3 SER B1587 4.992 22.622 3.880 1.00 0.00 H new ATOM 0 HG SER B1587 4.195 20.682 4.224 1.00 0.00 H new ATOM 1124 N SER B1588 1.469 23.300 6.427 1.00 0.00 N ATOM 1125 CA SER B1588 0.029 23.502 6.539 1.00 0.00 C ATOM 1126 C SER B1588 -0.685 22.808 5.391 1.00 0.00 C ATOM 1127 O SER B1588 -0.486 23.135 4.223 1.00 0.00 O ATOM 1128 CB SER B1588 -0.327 24.987 6.575 1.00 0.00 C ATOM 1129 OG SER B1588 0.211 25.619 7.730 1.00 0.00 O ATOM 0 H SER B1588 1.863 22.726 7.173 1.00 0.00 H new ATOM 0 HA SER B1588 -0.302 23.063 7.480 1.00 0.00 H new ATOM 0 HB2 SER B1588 0.054 25.477 5.679 1.00 0.00 H new ATOM 0 HB3 SER B1588 -1.411 25.104 6.565 1.00 0.00 H new ATOM 0 HG SER B1588 -0.031 26.569 7.726 1.00 0.00 H new ATOM 1135 N ARG B1589 -1.504 21.835 5.726 1.00 0.00 N ATOM 1136 CA ARG B1589 -2.153 21.023 4.719 1.00 0.00 C ATOM 1137 C ARG B1589 -3.147 21.842 3.910 1.00 0.00 C ATOM 1138 O ARG B1589 -4.239 22.157 4.376 1.00 0.00 O ATOM 1139 CB ARG B1589 -2.823 19.823 5.374 1.00 0.00 C ATOM 1140 CG ARG B1589 -3.430 18.850 4.387 1.00 0.00 C ATOM 1141 CD ARG B1589 -3.480 17.455 4.975 1.00 0.00 C ATOM 1142 NE ARG B1589 -4.431 17.337 6.077 1.00 0.00 N ATOM 1143 CZ ARG B1589 -5.686 16.918 5.929 1.00 0.00 C ATOM 1144 NH1 ARG B1589 -6.174 16.677 4.717 1.00 0.00 N ATOM 1145 NH2 ARG B1589 -6.450 16.748 6.994 1.00 0.00 N ATOM 0 H ARG B1589 -1.737 21.587 6.688 1.00 0.00 H new ATOM 0 HA ARG B1589 -1.397 20.658 4.023 1.00 0.00 H new ATOM 0 HB2 ARG B1589 -2.089 19.297 5.984 1.00 0.00 H new ATOM 0 HB3 ARG B1589 -3.603 20.177 6.048 1.00 0.00 H new ATOM 0 HG2 ARG B1589 -4.436 19.174 4.120 1.00 0.00 H new ATOM 0 HG3 ARG B1589 -2.844 18.842 3.468 1.00 0.00 H new ATOM 0 HD2 ARG B1589 -3.749 16.746 4.192 1.00 0.00 H new ATOM 0 HD3 ARG B1589 -2.486 17.179 5.328 1.00 0.00 H new ATOM 0 HE ARG B1589 -4.116 17.590 7.013 1.00 0.00 H new ATOM 0 HH11 ARG B1589 -5.586 16.813 3.894 1.00 0.00 H new ATOM 0 HH12 ARG B1589 -7.136 16.356 4.609 1.00 0.00 H new ATOM 0 HH21 ARG B1589 -6.077 16.938 7.924 1.00 0.00 H new ATOM 0 HH22 ARG B1589 -7.412 16.427 6.885 1.00 0.00 H new ATOM 1159 N LYS B1590 -2.743 22.170 2.686 1.00 0.00 N ATOM 1160 CA LYS B1590 -3.527 23.008 1.783 1.00 0.00 C ATOM 1161 C LYS B1590 -4.886 22.375 1.502 1.00 0.00 C ATOM 1162 O LYS B1590 -5.883 23.070 1.288 1.00 0.00 O ATOM 1163 CB LYS B1590 -2.776 23.217 0.457 1.00 0.00 C ATOM 1164 CG LYS B1590 -1.355 23.769 0.597 1.00 0.00 C ATOM 1165 CD LYS B1590 -0.363 22.697 1.043 1.00 0.00 C ATOM 1166 CE LYS B1590 1.055 23.239 1.168 1.00 0.00 C ATOM 1167 NZ LYS B1590 1.648 23.562 -0.156 1.00 0.00 N ATOM 0 H LYS B1590 -1.856 21.860 2.290 1.00 0.00 H new ATOM 0 HA LYS B1590 -3.679 23.973 2.267 1.00 0.00 H new ATOM 0 HB2 LYS B1590 -2.729 22.264 -0.070 1.00 0.00 H new ATOM 0 HB3 LYS B1590 -3.354 23.898 -0.167 1.00 0.00 H new ATOM 0 HG2 LYS B1590 -1.033 24.186 -0.357 1.00 0.00 H new ATOM 0 HG3 LYS B1590 -1.354 24.586 1.318 1.00 0.00 H new ATOM 0 HD2 LYS B1590 -0.680 22.289 2.003 1.00 0.00 H new ATOM 0 HD3 LYS B1590 -0.374 21.875 0.328 1.00 0.00 H new ATOM 0 HE2 LYS B1590 1.047 24.134 1.789 1.00 0.00 H new ATOM 0 HE3 LYS B1590 1.680 22.504 1.675 1.00 0.00 H new ATOM 0 HZ1 LYS B1590 2.635 23.863 -0.030 1.00 0.00 H new ATOM 0 HZ2 LYS B1590 1.618 22.719 -0.765 1.00 0.00 H new ATOM 0 HZ3 LYS B1590 1.106 24.330 -0.601 1.00 0.00 H new ATOM 1181 N ALA B1591 -4.908 21.050 1.506 1.00 0.00 N ATOM 1182 CA ALA B1591 -6.129 20.294 1.277 1.00 0.00 C ATOM 1183 C ALA B1591 -7.189 20.609 2.329 1.00 0.00 C ATOM 1184 O ALA B1591 -8.370 20.743 2.010 1.00 0.00 O ATOM 1185 CB ALA B1591 -5.823 18.805 1.278 1.00 0.00 C ATOM 0 H ALA B1591 -4.083 20.472 1.667 1.00 0.00 H new ATOM 0 HA ALA B1591 -6.527 20.585 0.305 1.00 0.00 H new ATOM 0 HB1 ALA B1591 -6.742 18.245 1.106 1.00 0.00 H new ATOM 0 HB2 ALA B1591 -5.107 18.580 0.487 1.00 0.00 H new ATOM 0 HB3 ALA B1591 -5.400 18.521 2.242 1.00 0.00 H new ATOM 1191 N LYS B1592 -6.769 20.747 3.580 1.00 0.00 N ATOM 1192 CA LYS B1592 -7.715 20.937 4.669 1.00 0.00 C ATOM 1193 C LYS B1592 -7.869 22.414 4.998 1.00 0.00 C ATOM 1194 O LYS B1592 -6.919 23.191 4.896 1.00 0.00 O ATOM 1195 CB LYS B1592 -7.280 20.165 5.922 1.00 0.00 C ATOM 1196 CG LYS B1592 -6.161 20.827 6.715 1.00 0.00 C ATOM 1197 CD LYS B1592 -5.886 20.084 8.012 1.00 0.00 C ATOM 1198 CE LYS B1592 -7.154 19.935 8.846 1.00 0.00 C ATOM 1199 NZ LYS B1592 -6.929 19.132 10.070 1.00 0.00 N ATOM 0 H LYS B1592 -5.789 20.731 3.863 1.00 0.00 H new ATOM 0 HA LYS B1592 -8.678 20.547 4.340 1.00 0.00 H new ATOM 0 HB2 LYS B1592 -8.144 20.039 6.574 1.00 0.00 H new ATOM 0 HB3 LYS B1592 -6.956 19.167 5.625 1.00 0.00 H new ATOM 0 HG2 LYS B1592 -5.254 20.857 6.112 1.00 0.00 H new ATOM 0 HG3 LYS B1592 -6.431 21.860 6.936 1.00 0.00 H new ATOM 0 HD2 LYS B1592 -5.477 19.098 7.789 1.00 0.00 H new ATOM 0 HD3 LYS B1592 -5.131 20.620 8.587 1.00 0.00 H new ATOM 0 HE2 LYS B1592 -7.522 20.923 9.124 1.00 0.00 H new ATOM 0 HE3 LYS B1592 -7.930 19.464 8.243 1.00 0.00 H new ATOM 0 HZ1 LYS B1592 -7.625 18.361 10.112 1.00 0.00 H new ATOM 0 HZ2 LYS B1592 -5.969 18.731 10.051 1.00 0.00 H new ATOM 0 HZ3 LYS B1592 -7.034 19.739 10.908 1.00 0.00 H new ATOM 1213 N LYS B1593 -9.076 22.799 5.365 1.00 0.00 N ATOM 1214 CA LYS B1593 -9.351 24.159 5.779 1.00 0.00 C ATOM 1215 C LYS B1593 -9.621 24.185 7.272 1.00 0.00 C ATOM 1216 O LYS B1593 -10.300 23.300 7.796 1.00 0.00 O ATOM 1217 CB LYS B1593 -10.543 24.741 5.007 1.00 0.00 C ATOM 1218 CG LYS B1593 -10.197 25.225 3.604 1.00 0.00 C ATOM 1219 CD LYS B1593 -9.706 24.096 2.710 1.00 0.00 C ATOM 1220 CE LYS B1593 -9.267 24.610 1.352 1.00 0.00 C ATOM 1221 NZ LYS B1593 -8.686 23.530 0.511 1.00 0.00 N ATOM 0 H LYS B1593 -9.888 22.182 5.384 1.00 0.00 H new ATOM 0 HA LYS B1593 -8.481 24.777 5.557 1.00 0.00 H new ATOM 0 HB2 LYS B1593 -11.322 23.982 4.936 1.00 0.00 H new ATOM 0 HB3 LYS B1593 -10.959 25.573 5.575 1.00 0.00 H new ATOM 0 HG2 LYS B1593 -11.076 25.686 3.154 1.00 0.00 H new ATOM 0 HG3 LYS B1593 -9.429 25.996 3.667 1.00 0.00 H new ATOM 0 HD2 LYS B1593 -8.873 23.585 3.193 1.00 0.00 H new ATOM 0 HD3 LYS B1593 -10.500 23.361 2.582 1.00 0.00 H new ATOM 0 HE2 LYS B1593 -10.121 25.051 0.838 1.00 0.00 H new ATOM 0 HE3 LYS B1593 -8.531 25.403 1.485 1.00 0.00 H new ATOM 0 HZ1 LYS B1593 -8.728 23.809 -0.490 1.00 0.00 H new ATOM 0 HZ2 LYS B1593 -7.695 23.371 0.785 1.00 0.00 H new ATOM 0 HZ3 LYS B1593 -9.228 22.653 0.649 1.00 0.00 H new ATOM 1235 N PRO B1594 -9.057 25.169 7.982 1.00 0.00 N ATOM 1236 CA PRO B1594 -9.260 25.322 9.423 1.00 0.00 C ATOM 1237 C PRO B1594 -10.720 25.609 9.758 1.00 0.00 C ATOM 1238 O PRO B1594 -11.159 26.761 9.731 1.00 0.00 O ATOM 1239 CB PRO B1594 -8.372 26.517 9.798 1.00 0.00 C ATOM 1240 CG PRO B1594 -7.420 26.665 8.659 1.00 0.00 C ATOM 1241 CD PRO B1594 -8.166 26.206 7.443 1.00 0.00 C ATOM 0 HA PRO B1594 -9.007 24.415 9.971 1.00 0.00 H new ATOM 0 HB2 PRO B1594 -8.965 27.421 9.936 1.00 0.00 H new ATOM 0 HB3 PRO B1594 -7.843 26.337 10.734 1.00 0.00 H new ATOM 0 HG2 PRO B1594 -7.096 27.700 8.552 1.00 0.00 H new ATOM 0 HG3 PRO B1594 -6.524 26.065 8.818 1.00 0.00 H new ATOM 0 HD2 PRO B1594 -8.725 27.019 6.980 1.00 0.00 H new ATOM 0 HD3 PRO B1594 -7.494 25.807 6.683 1.00 0.00 H new ATOM 1249 N ALA B1595 -11.467 24.548 10.047 1.00 0.00 N ATOM 1250 CA ALA B1595 -12.879 24.659 10.388 1.00 0.00 C ATOM 1251 C ALA B1595 -13.080 25.556 11.609 1.00 0.00 C ATOM 1252 O ALA B1595 -12.631 25.229 12.709 1.00 0.00 O ATOM 1253 CB ALA B1595 -13.465 23.279 10.647 1.00 0.00 C ATOM 0 H ALA B1595 -11.112 23.592 10.051 1.00 0.00 H new ATOM 0 HA ALA B1595 -13.398 25.114 9.544 1.00 0.00 H new ATOM 0 HB1 ALA B1595 -14.521 23.374 10.901 1.00 0.00 H new ATOM 0 HB2 ALA B1595 -13.361 22.666 9.752 1.00 0.00 H new ATOM 0 HB3 ALA B1595 -12.934 22.807 11.474 1.00 0.00 H new ATOM 1259 N GLN B1596 -13.735 26.691 11.411 1.00 0.00 N ATOM 1260 CA GLN B1596 -13.992 27.622 12.493 1.00 0.00 C ATOM 1261 C GLN B1596 -15.483 27.672 12.782 1.00 0.00 C ATOM 1262 O GLN B1596 -16.224 28.275 11.981 1.00 0.00 O ATOM 1263 CB GLN B1596 -13.474 29.019 12.137 1.00 0.00 C ATOM 1264 CG GLN B1596 -11.957 29.122 12.087 1.00 0.00 C ATOM 1265 CD GLN B1596 -11.311 28.943 13.449 1.00 0.00 C ATOM 1266 OE1 GLN B1596 -10.977 27.830 13.857 1.00 0.00 O ATOM 1267 NE2 GLN B1596 -11.125 30.042 14.164 1.00 0.00 N ATOM 1268 OXT GLN B1596 -15.910 27.108 13.808 1.00 0.00 O ATOM 0 H GLN B1596 -14.098 26.988 10.505 1.00 0.00 H new ATOM 0 HA GLN B1596 -13.465 27.280 13.384 1.00 0.00 H new ATOM 0 HB2 GLN B1596 -13.880 29.310 11.168 1.00 0.00 H new ATOM 0 HB3 GLN B1596 -13.853 29.733 12.868 1.00 0.00 H new ATOM 0 HG2 GLN B1596 -11.568 28.367 11.403 1.00 0.00 H new ATOM 0 HG3 GLN B1596 -11.676 30.094 11.682 1.00 0.00 H new ATOM 0 HE21 GLN B1596 -11.415 30.947 13.793 1.00 0.00 H new ATOM 0 HE22 GLN B1596 -10.692 29.984 15.086 1.00 0.00 H new TER 1277 GLN B1596