USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 578 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: B1587 SER OG : rot 170:sc= 1.03 USER MOD Set 1.2: B1590 LYS NZ :NH3+ -175:sc= 2.21 (180deg=0.92) USER MOD Single : A1073 LYS NZ :NH3+ -169:sc= 0.696 (180deg=0.607) USER MOD Single : A1074 THR OG1 : rot 139:sc= 1.81 USER MOD Single : A1076 TYR OH : rot -32:sc= -1.63 USER MOD Single : A1078 CYS SG : rot -120:sc= -0.147 USER MOD Single : A1079 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1082 ASN : amide:sc= -0.159! C(o=-0.16!,f=-4!) USER MOD Single : A1087 THR OG1 : rot 170:sc= 0.828 USER MOD Single : A1097 THR OG1 : rot -161:sc= -2.43! USER MOD Single : A1102 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A1108 HIS :FLIP no HE2:sc= 0.0174 F(o=-1.3,f=0.017) USER MOD Single : A1112 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.66) USER MOD Single : A1116 LYS NZ :NH3+ 170:sc=-0.00733 (180deg=-0.152) USER MOD Single : A1122 SER OG : rot -136:sc= 0.265 USER MOD Single : A1125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1128 SER OG : rot 180:sc= 0.0178 USER MOD Single : B1578 CYS SG : rot 180:sc= 0 USER MOD Single : B1581 SER OG : rot 180:sc= 0 USER MOD Single : B1583 MET CE :methyl 146:sc= -2.17 (180deg=-2.83!) USER MOD Single : B1585 THR OG1 : rot 180:sc= 0 USER MOD Single : B1586 LYS NZ :NH3+ 164:sc= 1.91 (180deg=1.15) USER MOD Single : B1588 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 19 N ARG A1070 3.104 1.544 -0.817 1.00 0.00 N ATOM 20 CA ARG A1070 3.954 2.699 -0.584 1.00 0.00 C ATOM 21 C ARG A1070 4.316 2.780 0.897 1.00 0.00 C ATOM 22 O ARG A1070 3.440 2.935 1.750 1.00 0.00 O ATOM 23 CB ARG A1070 3.241 3.979 -1.033 1.00 0.00 C ATOM 24 CG ARG A1070 4.182 5.139 -1.315 1.00 0.00 C ATOM 25 CD ARG A1070 3.420 6.393 -1.723 1.00 0.00 C ATOM 26 NE ARG A1070 2.537 6.167 -2.868 1.00 0.00 N ATOM 27 CZ ARG A1070 2.061 7.134 -3.656 1.00 0.00 C ATOM 28 NH1 ARG A1070 2.395 8.403 -3.439 1.00 0.00 N ATOM 29 NH2 ARG A1070 1.249 6.822 -4.660 1.00 0.00 N ATOM 0 HA ARG A1070 4.870 2.594 -1.166 1.00 0.00 H new ATOM 0 HB2 ARG A1070 2.663 3.765 -1.932 1.00 0.00 H new ATOM 0 HB3 ARG A1070 2.531 4.278 -0.262 1.00 0.00 H new ATOM 0 HG2 ARG A1070 4.779 5.348 -0.427 1.00 0.00 H new ATOM 0 HG3 ARG A1070 4.876 4.860 -2.108 1.00 0.00 H new ATOM 0 HD2 ARG A1070 2.830 6.746 -0.878 1.00 0.00 H new ATOM 0 HD3 ARG A1070 4.131 7.182 -1.967 1.00 0.00 H new ATOM 0 HE ARG A1070 2.267 5.206 -3.078 1.00 0.00 H new ATOM 0 HH11 ARG A1070 3.018 8.642 -2.667 1.00 0.00 H new ATOM 0 HH12 ARG A1070 2.028 9.138 -4.044 1.00 0.00 H new ATOM 0 HH21 ARG A1070 0.993 5.849 -4.825 1.00 0.00 H new ATOM 0 HH22 ARG A1070 0.882 7.556 -5.266 1.00 0.00 H new ATOM 43 N ARG A1071 5.594 2.653 1.204 1.00 0.00 N ATOM 44 CA ARG A1071 6.057 2.665 2.586 1.00 0.00 C ATOM 45 C ARG A1071 6.990 3.848 2.813 1.00 0.00 C ATOM 46 O ARG A1071 7.789 4.191 1.940 1.00 0.00 O ATOM 47 CB ARG A1071 6.778 1.350 2.880 1.00 0.00 C ATOM 48 CG ARG A1071 7.083 1.082 4.340 1.00 0.00 C ATOM 49 CD ARG A1071 7.746 -0.278 4.478 1.00 0.00 C ATOM 50 NE ARG A1071 7.979 -0.665 5.866 1.00 0.00 N ATOM 51 CZ ARG A1071 9.187 -0.795 6.413 1.00 0.00 C ATOM 52 NH1 ARG A1071 10.279 -0.534 5.702 1.00 0.00 N ATOM 53 NH2 ARG A1071 9.298 -1.200 7.671 1.00 0.00 N ATOM 0 H ARG A1071 6.336 2.540 0.513 1.00 0.00 H new ATOM 0 HA ARG A1071 5.206 2.767 3.260 1.00 0.00 H new ATOM 0 HB2 ARG A1071 6.170 0.530 2.498 1.00 0.00 H new ATOM 0 HB3 ARG A1071 7.715 1.338 2.324 1.00 0.00 H new ATOM 0 HG2 ARG A1071 7.738 1.859 4.734 1.00 0.00 H new ATOM 0 HG3 ARG A1071 6.164 1.112 4.926 1.00 0.00 H new ATOM 0 HD2 ARG A1071 7.121 -1.030 3.998 1.00 0.00 H new ATOM 0 HD3 ARG A1071 8.697 -0.267 3.946 1.00 0.00 H new ATOM 0 HE ARG A1071 7.166 -0.847 6.454 1.00 0.00 H new ATOM 0 HH11 ARG A1071 10.195 -0.232 4.731 1.00 0.00 H new ATOM 0 HH12 ARG A1071 11.201 -0.636 6.127 1.00 0.00 H new ATOM 0 HH21 ARG A1071 8.461 -1.410 8.215 1.00 0.00 H new ATOM 0 HH22 ARG A1071 10.220 -1.301 8.095 1.00 0.00 H new ATOM 67 N VAL A1072 6.875 4.487 3.970 1.00 0.00 N ATOM 68 CA VAL A1072 7.734 5.614 4.306 1.00 0.00 C ATOM 69 C VAL A1072 8.268 5.472 5.726 1.00 0.00 C ATOM 70 O VAL A1072 7.656 4.809 6.567 1.00 0.00 O ATOM 71 CB VAL A1072 6.993 6.971 4.179 1.00 0.00 C ATOM 72 CG1 VAL A1072 6.398 7.149 2.789 1.00 0.00 C ATOM 73 CG2 VAL A1072 5.908 7.108 5.238 1.00 0.00 C ATOM 0 H VAL A1072 6.196 4.244 4.691 1.00 0.00 H new ATOM 0 HA VAL A1072 8.559 5.605 3.594 1.00 0.00 H new ATOM 0 HB VAL A1072 7.730 7.758 4.339 1.00 0.00 H new ATOM 0 HG11 VAL A1072 5.886 8.109 2.733 1.00 0.00 H new ATOM 0 HG12 VAL A1072 7.195 7.119 2.046 1.00 0.00 H new ATOM 0 HG13 VAL A1072 5.687 6.347 2.592 1.00 0.00 H new ATOM 0 HG21 VAL A1072 5.407 8.069 5.123 1.00 0.00 H new ATOM 0 HG22 VAL A1072 5.182 6.304 5.121 1.00 0.00 H new ATOM 0 HG23 VAL A1072 6.358 7.050 6.229 1.00 0.00 H new ATOM 83 N LYS A1073 9.409 6.089 5.986 1.00 0.00 N ATOM 84 CA LYS A1073 9.985 6.099 7.323 1.00 0.00 C ATOM 85 C LYS A1073 10.165 7.540 7.755 1.00 0.00 C ATOM 86 O LYS A1073 10.608 8.382 6.970 1.00 0.00 O ATOM 87 CB LYS A1073 11.324 5.345 7.348 1.00 0.00 C ATOM 88 CG LYS A1073 11.757 4.840 8.727 1.00 0.00 C ATOM 89 CD LYS A1073 12.346 5.934 9.611 1.00 0.00 C ATOM 90 CE LYS A1073 13.667 6.455 9.064 1.00 0.00 C ATOM 91 NZ LYS A1073 14.310 7.433 9.985 1.00 0.00 N ATOM 0 H LYS A1073 9.957 6.591 5.287 1.00 0.00 H new ATOM 0 HA LYS A1073 9.317 5.589 8.017 1.00 0.00 H new ATOM 0 HB2 LYS A1073 11.257 4.494 6.671 1.00 0.00 H new ATOM 0 HB3 LYS A1073 12.101 6.002 6.958 1.00 0.00 H new ATOM 0 HG2 LYS A1073 10.897 4.398 9.231 1.00 0.00 H new ATOM 0 HG3 LYS A1073 12.495 4.047 8.601 1.00 0.00 H new ATOM 0 HD2 LYS A1073 11.636 6.757 9.691 1.00 0.00 H new ATOM 0 HD3 LYS A1073 12.498 5.545 10.618 1.00 0.00 H new ATOM 0 HE2 LYS A1073 14.344 5.618 8.895 1.00 0.00 H new ATOM 0 HE3 LYS A1073 13.497 6.927 8.096 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 15.102 7.899 9.498 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 13.612 8.148 10.274 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 14.665 6.936 10.827 1.00 0.00 H new ATOM 105 N THR A1074 9.805 7.821 8.987 1.00 0.00 N ATOM 106 CA THR A1074 9.832 9.173 9.492 1.00 0.00 C ATOM 107 C THR A1074 11.260 9.617 9.771 1.00 0.00 C ATOM 108 O THR A1074 12.002 8.958 10.505 1.00 0.00 O ATOM 109 CB THR A1074 8.987 9.283 10.767 1.00 0.00 C ATOM 110 OG1 THR A1074 9.592 8.514 11.801 1.00 0.00 O ATOM 111 CG2 THR A1074 7.580 8.761 10.527 1.00 0.00 C ATOM 0 H THR A1074 9.488 7.125 9.661 1.00 0.00 H new ATOM 0 HA THR A1074 9.410 9.829 8.731 1.00 0.00 H new ATOM 0 HB THR A1074 8.932 10.333 11.056 1.00 0.00 H new ATOM 0 HG1 THR A1074 9.539 9.005 12.647 1.00 0.00 H new ATOM 0 HG21 THR A1074 6.998 8.848 11.444 1.00 0.00 H new ATOM 0 HG22 THR A1074 7.105 9.345 9.739 1.00 0.00 H new ATOM 0 HG23 THR A1074 7.627 7.715 10.225 1.00 0.00 H new ATOM 119 N ILE A1075 11.653 10.720 9.166 1.00 0.00 N ATOM 120 CA ILE A1075 12.994 11.244 9.350 1.00 0.00 C ATOM 121 C ILE A1075 12.969 12.413 10.314 1.00 0.00 C ATOM 122 O ILE A1075 14.003 12.987 10.658 1.00 0.00 O ATOM 123 CB ILE A1075 13.622 11.681 8.017 1.00 0.00 C ATOM 124 CG1 ILE A1075 12.666 12.561 7.216 1.00 0.00 C ATOM 125 CG2 ILE A1075 14.026 10.466 7.206 1.00 0.00 C ATOM 126 CD1 ILE A1075 13.275 13.113 5.943 1.00 0.00 C ATOM 0 H ILE A1075 11.064 11.272 8.542 1.00 0.00 H new ATOM 0 HA ILE A1075 13.607 10.443 9.763 1.00 0.00 H new ATOM 0 HB ILE A1075 14.511 12.271 8.240 1.00 0.00 H new ATOM 0 HG12 ILE A1075 11.778 11.982 6.963 1.00 0.00 H new ATOM 0 HG13 ILE A1075 12.338 13.391 7.842 1.00 0.00 H new ATOM 0 HG21 ILE A1075 14.470 10.788 6.264 1.00 0.00 H new ATOM 0 HG22 ILE A1075 14.753 9.879 7.767 1.00 0.00 H new ATOM 0 HG23 ILE A1075 13.146 9.855 7.003 1.00 0.00 H new ATOM 0 HD11 ILE A1075 12.540 13.729 5.425 1.00 0.00 H new ATOM 0 HD12 ILE A1075 14.147 13.719 6.190 1.00 0.00 H new ATOM 0 HD13 ILE A1075 13.578 12.289 5.297 1.00 0.00 H new ATOM 138 N TYR A1076 11.765 12.752 10.733 1.00 0.00 N ATOM 139 CA TYR A1076 11.546 13.821 11.683 1.00 0.00 C ATOM 140 C TYR A1076 10.469 13.445 12.683 1.00 0.00 C ATOM 141 O TYR A1076 9.817 12.409 12.558 1.00 0.00 O ATOM 142 CB TYR A1076 11.115 15.098 10.965 1.00 0.00 C ATOM 143 CG TYR A1076 12.175 15.733 10.103 1.00 0.00 C ATOM 144 CD1 TYR A1076 13.114 16.584 10.657 1.00 0.00 C ATOM 145 CD2 TYR A1076 12.210 15.518 8.732 1.00 0.00 C ATOM 146 CE1 TYR A1076 14.068 17.196 9.870 1.00 0.00 C ATOM 147 CE2 TYR A1076 13.154 16.131 7.938 1.00 0.00 C ATOM 148 CZ TYR A1076 14.079 16.970 8.508 1.00 0.00 C ATOM 149 OH TYR A1076 15.010 17.596 7.714 1.00 0.00 O ATOM 0 H TYR A1076 10.910 12.291 10.422 1.00 0.00 H new ATOM 0 HA TYR A1076 12.487 13.989 12.206 1.00 0.00 H new ATOM 0 HB2 TYR A1076 10.249 14.872 10.343 1.00 0.00 H new ATOM 0 HB3 TYR A1076 10.791 15.824 11.710 1.00 0.00 H new ATOM 0 HD1 TYR A1076 13.100 16.772 11.720 1.00 0.00 H new ATOM 0 HD2 TYR A1076 11.484 14.858 8.280 1.00 0.00 H new ATOM 0 HE1 TYR A1076 14.803 17.849 10.317 1.00 0.00 H new ATOM 0 HE2 TYR A1076 13.166 15.953 6.873 1.00 0.00 H new ATOM 0 HH TYR A1076 15.223 18.475 8.091 1.00 0.00 H new ATOM 159 N ASP A1077 10.294 14.310 13.666 1.00 0.00 N ATOM 160 CA ASP A1077 9.250 14.159 14.661 1.00 0.00 C ATOM 161 C ASP A1077 8.150 15.173 14.405 1.00 0.00 C ATOM 162 O ASP A1077 8.409 16.356 14.207 1.00 0.00 O ATOM 163 CB ASP A1077 9.836 14.319 16.065 1.00 0.00 C ATOM 164 CG ASP A1077 8.864 14.903 17.075 1.00 0.00 C ATOM 165 OD1 ASP A1077 8.033 14.152 17.617 1.00 0.00 O ATOM 166 OD2 ASP A1077 8.953 16.120 17.352 1.00 0.00 O ATOM 0 H ASP A1077 10.874 15.139 13.796 1.00 0.00 H new ATOM 0 HA ASP A1077 8.819 13.160 14.589 1.00 0.00 H new ATOM 0 HB2 ASP A1077 10.173 13.345 16.421 1.00 0.00 H new ATOM 0 HB3 ASP A1077 10.716 14.960 16.010 1.00 0.00 H new ATOM 171 N CYS A1078 6.930 14.699 14.396 1.00 0.00 N ATOM 172 CA CYS A1078 5.789 15.538 14.094 1.00 0.00 C ATOM 173 C CYS A1078 4.616 15.148 14.962 1.00 0.00 C ATOM 174 O CYS A1078 4.435 13.976 15.285 1.00 0.00 O ATOM 175 CB CYS A1078 5.406 15.420 12.620 1.00 0.00 C ATOM 176 SG CYS A1078 3.935 16.363 12.148 1.00 0.00 S ATOM 0 H CYS A1078 6.696 13.727 14.596 1.00 0.00 H new ATOM 0 HA CYS A1078 6.060 16.574 14.300 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.247 15.754 12.012 1.00 0.00 H new ATOM 0 HB3 CYS A1078 5.239 14.369 12.384 1.00 0.00 H new ATOM 0 HG CYS A1078 3.031 15.553 11.682 1.00 0.00 H new ATOM 182 N GLN A1079 3.823 16.128 15.335 1.00 0.00 N ATOM 183 CA GLN A1079 2.667 15.866 16.182 1.00 0.00 C ATOM 184 C GLN A1079 1.396 16.476 15.593 1.00 0.00 C ATOM 185 O GLN A1079 1.437 17.488 14.889 1.00 0.00 O ATOM 186 CB GLN A1079 2.926 16.368 17.606 1.00 0.00 C ATOM 187 CG GLN A1079 1.808 16.061 18.587 1.00 0.00 C ATOM 188 CD GLN A1079 2.235 16.238 20.030 1.00 0.00 C ATOM 189 OE1 GLN A1079 2.742 15.309 20.658 1.00 0.00 O ATOM 190 NE2 GLN A1079 2.031 17.428 20.569 1.00 0.00 N ATOM 0 H GLN A1079 3.950 17.105 15.072 1.00 0.00 H new ATOM 0 HA GLN A1079 2.512 14.788 16.226 1.00 0.00 H new ATOM 0 HB2 GLN A1079 3.850 15.922 17.974 1.00 0.00 H new ATOM 0 HB3 GLN A1079 3.082 17.446 17.576 1.00 0.00 H new ATOM 0 HG2 GLN A1079 0.959 16.713 18.380 1.00 0.00 H new ATOM 0 HG3 GLN A1079 1.468 15.037 18.436 1.00 0.00 H new ATOM 0 HE21 GLN A1079 1.608 18.173 20.015 1.00 0.00 H new ATOM 0 HE22 GLN A1079 2.297 17.601 21.538 1.00 0.00 H new ATOM 199 N ALA A1080 0.279 15.816 15.876 1.00 0.00 N ATOM 200 CA ALA A1080 -1.028 16.186 15.347 1.00 0.00 C ATOM 201 C ALA A1080 -1.444 17.594 15.754 1.00 0.00 C ATOM 202 O ALA A1080 -1.374 17.965 16.929 1.00 0.00 O ATOM 203 CB ALA A1080 -2.072 15.187 15.816 1.00 0.00 C ATOM 0 H ALA A1080 0.255 14.999 16.487 1.00 0.00 H new ATOM 0 HA ALA A1080 -0.954 16.171 14.260 1.00 0.00 H new ATOM 0 HB1 ALA A1080 -3.048 15.467 15.419 1.00 0.00 H new ATOM 0 HB2 ALA A1080 -1.808 14.191 15.461 1.00 0.00 H new ATOM 0 HB3 ALA A1080 -2.111 15.186 16.905 1.00 0.00 H new ATOM 209 N ASP A1081 -1.883 18.367 14.767 1.00 0.00 N ATOM 210 CA ASP A1081 -2.381 19.720 14.994 1.00 0.00 C ATOM 211 C ASP A1081 -3.894 19.720 15.192 1.00 0.00 C ATOM 212 O ASP A1081 -4.447 20.606 15.840 1.00 0.00 O ATOM 213 CB ASP A1081 -2.023 20.617 13.802 1.00 0.00 C ATOM 214 CG ASP A1081 -2.689 21.980 13.858 1.00 0.00 C ATOM 215 OD1 ASP A1081 -2.169 22.878 14.554 1.00 0.00 O ATOM 216 OD2 ASP A1081 -3.730 22.165 13.190 1.00 0.00 O ATOM 0 H ASP A1081 -1.904 18.075 13.790 1.00 0.00 H new ATOM 0 HA ASP A1081 -1.911 20.106 15.899 1.00 0.00 H new ATOM 0 HB2 ASP A1081 -0.942 20.749 13.767 1.00 0.00 H new ATOM 0 HB3 ASP A1081 -2.313 20.116 12.878 1.00 0.00 H new ATOM 221 N ASN A1082 -4.554 18.707 14.652 1.00 0.00 N ATOM 222 CA ASN A1082 -6.011 18.676 14.623 1.00 0.00 C ATOM 223 C ASN A1082 -6.516 17.237 14.776 1.00 0.00 C ATOM 224 O ASN A1082 -5.718 16.329 15.030 1.00 0.00 O ATOM 225 CB ASN A1082 -6.515 19.309 13.315 1.00 0.00 C ATOM 226 CG ASN A1082 -7.975 19.731 13.373 1.00 0.00 C ATOM 227 OD1 ASN A1082 -8.871 18.972 13.002 1.00 0.00 O ATOM 228 ND2 ASN A1082 -8.225 20.945 13.841 1.00 0.00 N ATOM 0 H ASN A1082 -4.106 17.895 14.228 1.00 0.00 H new ATOM 0 HA ASN A1082 -6.403 19.255 15.459 1.00 0.00 H new ATOM 0 HB2 ASN A1082 -5.902 20.179 13.081 1.00 0.00 H new ATOM 0 HB3 ASN A1082 -6.382 18.597 12.500 1.00 0.00 H new ATOM 0 HD21 ASN A1082 -9.187 21.279 13.903 1.00 0.00 H new ATOM 0 HD22 ASN A1082 -7.456 21.545 14.139 1.00 0.00 H new ATOM 235 N ASP A1083 -7.817 17.033 14.607 1.00 0.00 N ATOM 236 CA ASP A1083 -8.457 15.750 14.905 1.00 0.00 C ATOM 237 C ASP A1083 -7.914 14.603 14.050 1.00 0.00 C ATOM 238 O ASP A1083 -7.663 13.509 14.557 1.00 0.00 O ATOM 239 CB ASP A1083 -9.971 15.880 14.701 1.00 0.00 C ATOM 240 CG ASP A1083 -10.704 14.555 14.804 1.00 0.00 C ATOM 241 OD1 ASP A1083 -10.700 13.947 15.895 1.00 0.00 O ATOM 242 OD2 ASP A1083 -11.313 14.133 13.798 1.00 0.00 O ATOM 0 H ASP A1083 -8.459 17.747 14.261 1.00 0.00 H new ATOM 0 HA ASP A1083 -8.230 15.505 15.943 1.00 0.00 H new ATOM 0 HB2 ASP A1083 -10.373 16.569 15.444 1.00 0.00 H new ATOM 0 HB3 ASP A1083 -10.163 16.319 13.722 1.00 0.00 H new ATOM 247 N ASP A1084 -7.690 14.856 12.769 1.00 0.00 N ATOM 248 CA ASP A1084 -7.245 13.798 11.868 1.00 0.00 C ATOM 249 C ASP A1084 -5.822 14.065 11.387 1.00 0.00 C ATOM 250 O ASP A1084 -5.519 14.017 10.196 1.00 0.00 O ATOM 251 CB ASP A1084 -8.219 13.659 10.691 1.00 0.00 C ATOM 252 CG ASP A1084 -7.910 12.477 9.787 1.00 0.00 C ATOM 253 OD1 ASP A1084 -7.840 11.335 10.292 1.00 0.00 O ATOM 254 OD2 ASP A1084 -7.777 12.684 8.559 1.00 0.00 O ATOM 0 H ASP A1084 -7.806 15.771 12.333 1.00 0.00 H new ATOM 0 HA ASP A1084 -7.237 12.853 12.411 1.00 0.00 H new ATOM 0 HB2 ASP A1084 -9.233 13.555 11.078 1.00 0.00 H new ATOM 0 HB3 ASP A1084 -8.196 14.575 10.100 1.00 0.00 H new ATOM 259 N GLU A1085 -4.955 14.371 12.336 1.00 0.00 N ATOM 260 CA GLU A1085 -3.540 14.560 12.062 1.00 0.00 C ATOM 261 C GLU A1085 -2.750 13.397 12.642 1.00 0.00 C ATOM 262 O GLU A1085 -3.215 12.725 13.561 1.00 0.00 O ATOM 263 CB GLU A1085 -3.055 15.874 12.668 1.00 0.00 C ATOM 264 CG GLU A1085 -3.488 17.102 11.894 1.00 0.00 C ATOM 265 CD GLU A1085 -2.345 17.735 11.136 1.00 0.00 C ATOM 266 OE1 GLU A1085 -1.368 18.174 11.788 1.00 0.00 O ATOM 267 OE2 GLU A1085 -2.422 17.789 9.893 1.00 0.00 O ATOM 0 H GLU A1085 -5.210 14.495 13.316 1.00 0.00 H new ATOM 0 HA GLU A1085 -3.388 14.598 10.983 1.00 0.00 H new ATOM 0 HB2 GLU A1085 -3.426 15.951 13.690 1.00 0.00 H new ATOM 0 HB3 GLU A1085 -1.967 15.857 12.725 1.00 0.00 H new ATOM 0 HG2 GLU A1085 -4.277 16.828 11.194 1.00 0.00 H new ATOM 0 HG3 GLU A1085 -3.912 17.832 12.583 1.00 0.00 H new ATOM 274 N LEU A1086 -1.566 13.159 12.109 1.00 0.00 N ATOM 275 CA LEU A1086 -0.750 12.044 12.562 1.00 0.00 C ATOM 276 C LEU A1086 0.413 12.523 13.427 1.00 0.00 C ATOM 277 O LEU A1086 1.149 13.435 13.045 1.00 0.00 O ATOM 278 CB LEU A1086 -0.202 11.260 11.367 1.00 0.00 C ATOM 279 CG LEU A1086 0.398 9.895 11.711 1.00 0.00 C ATOM 280 CD1 LEU A1086 -0.703 8.908 12.041 1.00 0.00 C ATOM 281 CD2 LEU A1086 1.241 9.367 10.568 1.00 0.00 C ATOM 0 H LEU A1086 -1.148 13.719 11.366 1.00 0.00 H new ATOM 0 HA LEU A1086 -1.388 11.395 13.162 1.00 0.00 H new ATOM 0 HB2 LEU A1086 -1.007 11.115 10.646 1.00 0.00 H new ATOM 0 HB3 LEU A1086 0.562 11.863 10.875 1.00 0.00 H new ATOM 0 HG LEU A1086 1.042 10.018 12.582 1.00 0.00 H new ATOM 0 HD11 LEU A1086 -0.264 7.941 12.284 1.00 0.00 H new ATOM 0 HD12 LEU A1086 -1.274 9.272 12.895 1.00 0.00 H new ATOM 0 HD13 LEU A1086 -1.365 8.800 11.182 1.00 0.00 H new ATOM 0 HD21 LEU A1086 1.655 8.396 10.840 1.00 0.00 H new ATOM 0 HD22 LEU A1086 0.621 9.261 9.678 1.00 0.00 H new ATOM 0 HD23 LEU A1086 2.054 10.064 10.363 1.00 0.00 H new ATOM 293 N THR A1087 0.564 11.916 14.596 1.00 0.00 N ATOM 294 CA THR A1087 1.725 12.149 15.435 1.00 0.00 C ATOM 295 C THR A1087 2.710 10.993 15.275 1.00 0.00 C ATOM 296 O THR A1087 2.380 9.834 15.545 1.00 0.00 O ATOM 297 CB THR A1087 1.342 12.302 16.925 1.00 0.00 C ATOM 298 OG1 THR A1087 0.378 13.353 17.082 1.00 0.00 O ATOM 299 CG2 THR A1087 2.567 12.605 17.780 1.00 0.00 C ATOM 0 H THR A1087 -0.109 11.255 14.984 1.00 0.00 H new ATOM 0 HA THR A1087 2.185 13.084 15.114 1.00 0.00 H new ATOM 0 HB THR A1087 0.911 11.358 17.258 1.00 0.00 H new ATOM 0 HG1 THR A1087 0.022 13.337 17.995 1.00 0.00 H new ATOM 0 HG21 THR A1087 2.267 12.707 18.823 1.00 0.00 H new ATOM 0 HG22 THR A1087 3.286 11.791 17.688 1.00 0.00 H new ATOM 0 HG23 THR A1087 3.026 13.534 17.442 1.00 0.00 H new ATOM 307 N PHE A1088 3.909 11.315 14.820 1.00 0.00 N ATOM 308 CA PHE A1088 4.933 10.317 14.553 1.00 0.00 C ATOM 309 C PHE A1088 6.303 10.855 14.929 1.00 0.00 C ATOM 310 O PHE A1088 6.606 12.022 14.700 1.00 0.00 O ATOM 311 CB PHE A1088 4.913 9.888 13.076 1.00 0.00 C ATOM 312 CG PHE A1088 4.920 11.029 12.086 1.00 0.00 C ATOM 313 CD1 PHE A1088 3.744 11.680 11.763 1.00 0.00 C ATOM 314 CD2 PHE A1088 6.097 11.445 11.475 1.00 0.00 C ATOM 315 CE1 PHE A1088 3.737 12.720 10.856 1.00 0.00 C ATOM 316 CE2 PHE A1088 6.093 12.483 10.568 1.00 0.00 C ATOM 317 CZ PHE A1088 4.915 13.122 10.259 1.00 0.00 C ATOM 0 H PHE A1088 4.200 12.273 14.625 1.00 0.00 H new ATOM 0 HA PHE A1088 4.720 9.439 15.163 1.00 0.00 H new ATOM 0 HB2 PHE A1088 5.779 9.254 12.884 1.00 0.00 H new ATOM 0 HB3 PHE A1088 4.026 9.279 12.901 1.00 0.00 H new ATOM 0 HD1 PHE A1088 2.819 11.371 12.226 1.00 0.00 H new ATOM 0 HD2 PHE A1088 7.026 10.949 11.714 1.00 0.00 H new ATOM 0 HE1 PHE A1088 2.810 13.219 10.613 1.00 0.00 H new ATOM 0 HE2 PHE A1088 7.015 12.795 10.100 1.00 0.00 H new ATOM 0 HZ PHE A1088 4.912 13.937 9.550 1.00 0.00 H new ATOM 327 N ILE A1089 7.120 9.997 15.508 1.00 0.00 N ATOM 328 CA ILE A1089 8.454 10.387 15.940 1.00 0.00 C ATOM 329 C ILE A1089 9.492 9.847 14.972 1.00 0.00 C ATOM 330 O ILE A1089 9.210 8.906 14.242 1.00 0.00 O ATOM 331 CB ILE A1089 8.748 9.900 17.381 1.00 0.00 C ATOM 332 CG1 ILE A1089 8.126 8.519 17.658 1.00 0.00 C ATOM 333 CG2 ILE A1089 8.233 10.916 18.386 1.00 0.00 C ATOM 334 CD1 ILE A1089 8.735 7.380 16.873 1.00 0.00 C ATOM 0 H ILE A1089 6.885 9.022 15.692 1.00 0.00 H new ATOM 0 HA ILE A1089 8.504 11.476 15.945 1.00 0.00 H new ATOM 0 HB ILE A1089 9.829 9.800 17.484 1.00 0.00 H new ATOM 0 HG12 ILE A1089 8.221 8.300 18.722 1.00 0.00 H new ATOM 0 HG13 ILE A1089 7.060 8.565 17.436 1.00 0.00 H new ATOM 0 HG21 ILE A1089 8.443 10.567 19.397 1.00 0.00 H new ATOM 0 HG22 ILE A1089 8.728 11.873 18.222 1.00 0.00 H new ATOM 0 HG23 ILE A1089 7.157 11.038 18.261 1.00 0.00 H new ATOM 0 HD11 ILE A1089 8.233 6.449 17.134 1.00 0.00 H new ATOM 0 HD12 ILE A1089 8.616 7.569 15.806 1.00 0.00 H new ATOM 0 HD13 ILE A1089 9.796 7.300 17.112 1.00 0.00 H new ATOM 346 N GLU A1090 10.675 10.451 14.949 1.00 0.00 N ATOM 347 CA GLU A1090 11.741 10.010 14.051 1.00 0.00 C ATOM 348 C GLU A1090 12.087 8.548 14.345 1.00 0.00 C ATOM 349 O GLU A1090 12.409 8.201 15.482 1.00 0.00 O ATOM 350 CB GLU A1090 12.972 10.910 14.216 1.00 0.00 C ATOM 351 CG GLU A1090 14.044 10.730 13.145 1.00 0.00 C ATOM 352 CD GLU A1090 14.840 9.451 13.301 1.00 0.00 C ATOM 353 OE1 GLU A1090 15.619 9.350 14.273 1.00 0.00 O ATOM 354 OE2 GLU A1090 14.701 8.547 12.454 1.00 0.00 O ATOM 0 H GLU A1090 10.922 11.245 15.539 1.00 0.00 H new ATOM 0 HA GLU A1090 11.402 10.085 13.018 1.00 0.00 H new ATOM 0 HB2 GLU A1090 12.647 11.950 14.214 1.00 0.00 H new ATOM 0 HB3 GLU A1090 13.417 10.717 15.192 1.00 0.00 H new ATOM 0 HG2 GLU A1090 13.571 10.738 12.163 1.00 0.00 H new ATOM 0 HG3 GLU A1090 14.726 11.580 13.177 1.00 0.00 H new ATOM 361 N GLY A1091 11.995 7.701 13.327 1.00 0.00 N ATOM 362 CA GLY A1091 12.257 6.283 13.511 1.00 0.00 C ATOM 363 C GLY A1091 10.995 5.456 13.377 1.00 0.00 C ATOM 364 O GLY A1091 11.025 4.227 13.472 1.00 0.00 O ATOM 0 H GLY A1091 11.743 7.970 12.376 1.00 0.00 H new ATOM 0 HA2 GLY A1091 12.989 5.950 12.776 1.00 0.00 H new ATOM 0 HA3 GLY A1091 12.696 6.119 14.495 1.00 0.00 H new ATOM 368 N GLU A1092 9.890 6.146 13.157 1.00 0.00 N ATOM 369 CA GLU A1092 8.589 5.524 12.973 1.00 0.00 C ATOM 370 C GLU A1092 8.427 5.117 11.510 1.00 0.00 C ATOM 371 O GLU A1092 9.127 5.631 10.633 1.00 0.00 O ATOM 372 CB GLU A1092 7.500 6.529 13.353 1.00 0.00 C ATOM 373 CG GLU A1092 6.162 5.931 13.738 1.00 0.00 C ATOM 374 CD GLU A1092 6.233 5.063 14.975 1.00 0.00 C ATOM 375 OE1 GLU A1092 6.522 3.861 14.845 1.00 0.00 O ATOM 376 OE2 GLU A1092 5.977 5.584 16.085 1.00 0.00 O ATOM 0 H GLU A1092 9.870 7.164 13.100 1.00 0.00 H new ATOM 0 HA GLU A1092 8.506 4.639 13.604 1.00 0.00 H new ATOM 0 HB2 GLU A1092 7.862 7.131 14.186 1.00 0.00 H new ATOM 0 HB3 GLU A1092 7.347 7.206 12.513 1.00 0.00 H new ATOM 0 HG2 GLU A1092 5.446 6.736 13.907 1.00 0.00 H new ATOM 0 HG3 GLU A1092 5.783 5.337 12.906 1.00 0.00 H new ATOM 383 N VAL A1093 7.504 4.211 11.245 1.00 0.00 N ATOM 384 CA VAL A1093 7.265 3.737 9.883 1.00 0.00 C ATOM 385 C VAL A1093 5.785 3.819 9.561 1.00 0.00 C ATOM 386 O VAL A1093 4.943 3.374 10.345 1.00 0.00 O ATOM 387 CB VAL A1093 7.744 2.281 9.657 1.00 0.00 C ATOM 388 CG1 VAL A1093 7.505 1.849 8.212 1.00 0.00 C ATOM 389 CG2 VAL A1093 9.214 2.132 10.017 1.00 0.00 C ATOM 0 H VAL A1093 6.904 3.785 11.951 1.00 0.00 H new ATOM 0 HA VAL A1093 7.844 4.383 9.223 1.00 0.00 H new ATOM 0 HB VAL A1093 7.162 1.632 10.312 1.00 0.00 H new ATOM 0 HG11 VAL A1093 7.849 0.824 8.077 1.00 0.00 H new ATOM 0 HG12 VAL A1093 6.440 1.907 7.986 1.00 0.00 H new ATOM 0 HG13 VAL A1093 8.055 2.508 7.540 1.00 0.00 H new ATOM 0 HG21 VAL A1093 9.527 1.101 9.850 1.00 0.00 H new ATOM 0 HG22 VAL A1093 9.811 2.798 9.393 1.00 0.00 H new ATOM 0 HG23 VAL A1093 9.360 2.390 11.066 1.00 0.00 H new ATOM 399 N ILE A1094 5.465 4.386 8.411 1.00 0.00 N ATOM 400 CA ILE A1094 4.082 4.594 8.040 1.00 0.00 C ATOM 401 C ILE A1094 3.769 3.916 6.713 1.00 0.00 C ATOM 402 O ILE A1094 4.528 4.027 5.747 1.00 0.00 O ATOM 403 CB ILE A1094 3.744 6.094 7.927 1.00 0.00 C ATOM 404 CG1 ILE A1094 4.390 6.876 9.075 1.00 0.00 C ATOM 405 CG2 ILE A1094 2.235 6.286 7.941 1.00 0.00 C ATOM 406 CD1 ILE A1094 4.259 8.376 8.940 1.00 0.00 C ATOM 0 H ILE A1094 6.144 4.709 7.722 1.00 0.00 H new ATOM 0 HA ILE A1094 3.473 4.154 8.829 1.00 0.00 H new ATOM 0 HB ILE A1094 4.141 6.474 6.986 1.00 0.00 H new ATOM 0 HG12 ILE A1094 3.936 6.564 10.016 1.00 0.00 H new ATOM 0 HG13 ILE A1094 5.447 6.616 9.130 1.00 0.00 H new ATOM 0 HG21 ILE A1094 2.003 7.348 7.861 1.00 0.00 H new ATOM 0 HG22 ILE A1094 1.793 5.753 7.099 1.00 0.00 H new ATOM 0 HG23 ILE A1094 1.827 5.895 8.873 1.00 0.00 H new ATOM 0 HD11 ILE A1094 4.740 8.861 9.789 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.738 8.701 8.017 1.00 0.00 H new ATOM 0 HD13 ILE A1094 3.204 8.648 8.916 1.00 0.00 H new ATOM 418 N ILE A1095 2.659 3.202 6.685 1.00 0.00 N ATOM 419 CA ILE A1095 2.161 2.599 5.462 1.00 0.00 C ATOM 420 C ILE A1095 1.225 3.584 4.772 1.00 0.00 C ATOM 421 O ILE A1095 0.181 3.939 5.324 1.00 0.00 O ATOM 422 CB ILE A1095 1.406 1.281 5.756 1.00 0.00 C ATOM 423 CG1 ILE A1095 2.353 0.250 6.380 1.00 0.00 C ATOM 424 CG2 ILE A1095 0.765 0.728 4.491 1.00 0.00 C ATOM 425 CD1 ILE A1095 3.544 -0.099 5.509 1.00 0.00 C ATOM 0 H ILE A1095 2.079 3.024 7.505 1.00 0.00 H new ATOM 0 HA ILE A1095 3.007 2.365 4.816 1.00 0.00 H new ATOM 0 HB ILE A1095 0.610 1.495 6.470 1.00 0.00 H new ATOM 0 HG12 ILE A1095 2.714 0.634 7.334 1.00 0.00 H new ATOM 0 HG13 ILE A1095 1.793 -0.660 6.594 1.00 0.00 H new ATOM 0 HG21 ILE A1095 0.240 -0.199 4.724 1.00 0.00 H new ATOM 0 HG22 ILE A1095 0.057 1.456 4.094 1.00 0.00 H new ATOM 0 HG23 ILE A1095 1.538 0.530 3.748 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.166 -0.834 6.020 1.00 0.00 H new ATOM 0 HD12 ILE A1095 3.194 -0.514 4.564 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.129 0.800 5.316 1.00 0.00 H new ATOM 437 N VAL A1096 1.607 4.041 3.587 1.00 0.00 N ATOM 438 CA VAL A1096 0.822 5.029 2.864 1.00 0.00 C ATOM 439 C VAL A1096 -0.411 4.385 2.242 1.00 0.00 C ATOM 440 O VAL A1096 -0.310 3.576 1.315 1.00 0.00 O ATOM 441 CB VAL A1096 1.649 5.723 1.763 1.00 0.00 C ATOM 442 CG1 VAL A1096 0.832 6.807 1.074 1.00 0.00 C ATOM 443 CG2 VAL A1096 2.926 6.311 2.340 1.00 0.00 C ATOM 0 H VAL A1096 2.456 3.742 3.107 1.00 0.00 H new ATOM 0 HA VAL A1096 0.513 5.784 3.587 1.00 0.00 H new ATOM 0 HB VAL A1096 1.918 4.972 1.021 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.436 7.282 0.301 1.00 0.00 H new ATOM 0 HG12 VAL A1096 -0.053 6.362 0.620 1.00 0.00 H new ATOM 0 HG13 VAL A1096 0.527 7.554 1.807 1.00 0.00 H new ATOM 0 HG21 VAL A1096 3.494 6.796 1.546 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.675 7.044 3.106 1.00 0.00 H new ATOM 0 HG23 VAL A1096 3.526 5.515 2.782 1.00 0.00 H new ATOM 453 N THR A1097 -1.570 4.746 2.761 1.00 0.00 N ATOM 454 CA THR A1097 -2.823 4.200 2.286 1.00 0.00 C ATOM 455 C THR A1097 -3.487 5.150 1.300 1.00 0.00 C ATOM 456 O THR A1097 -4.367 4.753 0.536 1.00 0.00 O ATOM 457 CB THR A1097 -3.782 3.918 3.455 1.00 0.00 C ATOM 458 OG1 THR A1097 -4.007 5.114 4.212 1.00 0.00 O ATOM 459 CG2 THR A1097 -3.218 2.834 4.364 1.00 0.00 C ATOM 0 H THR A1097 -1.667 5.422 3.519 1.00 0.00 H new ATOM 0 HA THR A1097 -2.600 3.260 1.780 1.00 0.00 H new ATOM 0 HB THR A1097 -4.729 3.572 3.042 1.00 0.00 H new ATOM 0 HG1 THR A1097 -4.355 4.880 5.098 1.00 0.00 H new ATOM 0 HG21 THR A1097 -3.912 2.650 5.184 1.00 0.00 H new ATOM 0 HG22 THR A1097 -3.079 1.916 3.793 1.00 0.00 H new ATOM 0 HG23 THR A1097 -2.259 3.159 4.766 1.00 0.00 H new ATOM 467 N GLY A1098 -3.055 6.403 1.310 1.00 0.00 N ATOM 468 CA GLY A1098 -3.633 7.381 0.418 1.00 0.00 C ATOM 469 C GLY A1098 -2.848 8.672 0.381 1.00 0.00 C ATOM 470 O GLY A1098 -1.800 8.791 1.013 1.00 0.00 O ATOM 0 H GLY A1098 -2.317 6.757 1.919 1.00 0.00 H new ATOM 0 HA2 GLY A1098 -3.686 6.964 -0.588 1.00 0.00 H new ATOM 0 HA3 GLY A1098 -4.656 7.591 0.730 1.00 0.00 H new ATOM 474 N GLU A1099 -3.359 9.633 -0.366 1.00 0.00 N ATOM 475 CA GLU A1099 -2.743 10.939 -0.498 1.00 0.00 C ATOM 476 C GLU A1099 -3.821 12.002 -0.394 1.00 0.00 C ATOM 477 O GLU A1099 -4.946 11.800 -0.855 1.00 0.00 O ATOM 478 CB GLU A1099 -2.025 11.057 -1.842 1.00 0.00 C ATOM 479 CG GLU A1099 -0.893 10.059 -2.019 1.00 0.00 C ATOM 480 CD GLU A1099 -0.463 9.915 -3.461 1.00 0.00 C ATOM 481 OE1 GLU A1099 0.401 10.693 -3.916 1.00 0.00 O ATOM 482 OE2 GLU A1099 -0.988 9.013 -4.149 1.00 0.00 O ATOM 0 H GLU A1099 -4.220 9.528 -0.902 1.00 0.00 H new ATOM 0 HA GLU A1099 -2.009 11.075 0.296 1.00 0.00 H new ATOM 0 HB2 GLU A1099 -2.749 10.918 -2.644 1.00 0.00 H new ATOM 0 HB3 GLU A1099 -1.627 12.067 -1.944 1.00 0.00 H new ATOM 0 HG2 GLU A1099 -0.039 10.374 -1.419 1.00 0.00 H new ATOM 0 HG3 GLU A1099 -1.208 9.087 -1.639 1.00 0.00 H new ATOM 489 N GLU A1100 -3.486 13.119 0.223 1.00 0.00 N ATOM 490 CA GLU A1100 -4.439 14.207 0.386 1.00 0.00 C ATOM 491 C GLU A1100 -3.872 15.468 -0.240 1.00 0.00 C ATOM 492 O GLU A1100 -4.565 16.216 -0.928 1.00 0.00 O ATOM 493 CB GLU A1100 -4.741 14.429 1.872 1.00 0.00 C ATOM 494 CG GLU A1100 -5.861 15.425 2.131 1.00 0.00 C ATOM 495 CD GLU A1100 -6.208 15.541 3.603 1.00 0.00 C ATOM 496 OE1 GLU A1100 -7.015 14.719 4.094 1.00 0.00 O ATOM 497 OE2 GLU A1100 -5.678 16.452 4.273 1.00 0.00 O ATOM 0 H GLU A1100 -2.564 13.299 0.620 1.00 0.00 H new ATOM 0 HA GLU A1100 -5.373 13.951 -0.114 1.00 0.00 H new ATOM 0 HB2 GLU A1100 -5.005 13.474 2.326 1.00 0.00 H new ATOM 0 HB3 GLU A1100 -3.836 14.778 2.369 1.00 0.00 H new ATOM 0 HG2 GLU A1100 -5.567 16.404 1.752 1.00 0.00 H new ATOM 0 HG3 GLU A1100 -6.748 15.122 1.575 1.00 0.00 H new ATOM 504 N ASP A1101 -2.588 15.662 -0.026 1.00 0.00 N ATOM 505 CA ASP A1101 -1.881 16.815 -0.534 1.00 0.00 C ATOM 506 C ASP A1101 -0.669 16.327 -1.321 1.00 0.00 C ATOM 507 O ASP A1101 -0.574 15.139 -1.635 1.00 0.00 O ATOM 508 CB ASP A1101 -1.449 17.694 0.649 1.00 0.00 C ATOM 509 CG ASP A1101 -1.062 19.106 0.267 1.00 0.00 C ATOM 510 OD1 ASP A1101 0.098 19.323 -0.142 1.00 0.00 O ATOM 511 OD2 ASP A1101 -1.913 20.003 0.401 1.00 0.00 O ATOM 0 H ASP A1101 -2.003 15.020 0.509 1.00 0.00 H new ATOM 0 HA ASP A1101 -2.517 17.407 -1.192 1.00 0.00 H new ATOM 0 HB2 ASP A1101 -2.264 17.736 1.372 1.00 0.00 H new ATOM 0 HB3 ASP A1101 -0.604 17.221 1.149 1.00 0.00 H new ATOM 516 N GLN A1102 0.236 17.222 -1.640 1.00 0.00 N ATOM 517 CA GLN A1102 1.520 16.851 -2.194 1.00 0.00 C ATOM 518 C GLN A1102 2.467 16.575 -1.047 1.00 0.00 C ATOM 519 O GLN A1102 3.245 15.618 -1.070 1.00 0.00 O ATOM 520 CB GLN A1102 2.072 17.973 -3.079 1.00 0.00 C ATOM 521 CG GLN A1102 3.585 17.931 -3.245 1.00 0.00 C ATOM 522 CD GLN A1102 4.103 18.996 -4.192 1.00 0.00 C ATOM 523 OE1 GLN A1102 3.400 20.115 -4.274 1.00 0.00 O flip ATOM 524 NE2 GLN A1102 5.128 18.813 -4.846 1.00 0.00 N flip ATOM 0 H GLN A1102 0.105 18.227 -1.524 1.00 0.00 H new ATOM 0 HA GLN A1102 1.411 15.962 -2.815 1.00 0.00 H new ATOM 0 HB2 GLN A1102 1.605 17.912 -4.062 1.00 0.00 H new ATOM 0 HB3 GLN A1102 1.789 18.935 -2.651 1.00 0.00 H new ATOM 0 HG2 GLN A1102 4.056 18.058 -2.270 1.00 0.00 H new ATOM 0 HG3 GLN A1102 3.878 16.949 -3.615 1.00 0.00 H new ATOM 0 HE21 GLN A1102 5.642 17.937 -4.755 1.00 0.00 H new ATOM 0 HE22 GLN A1102 5.465 19.538 -5.480 1.00 0.00 H new ATOM 533 N GLU A1103 2.354 17.409 -0.025 1.00 0.00 N ATOM 534 CA GLU A1103 3.218 17.325 1.133 1.00 0.00 C ATOM 535 C GLU A1103 2.498 16.631 2.285 1.00 0.00 C ATOM 536 O GLU A1103 2.967 16.632 3.417 1.00 0.00 O ATOM 537 CB GLU A1103 3.659 18.730 1.553 1.00 0.00 C ATOM 538 CG GLU A1103 4.877 18.708 2.443 1.00 0.00 C ATOM 539 CD GLU A1103 5.242 20.063 3.013 1.00 0.00 C ATOM 540 OE1 GLU A1103 5.870 20.866 2.289 1.00 0.00 O ATOM 541 OE2 GLU A1103 4.942 20.316 4.200 1.00 0.00 O ATOM 0 H GLU A1103 1.663 18.158 0.022 1.00 0.00 H new ATOM 0 HA GLU A1103 4.099 16.738 0.874 1.00 0.00 H new ATOM 0 HB2 GLU A1103 3.873 19.322 0.663 1.00 0.00 H new ATOM 0 HB3 GLU A1103 2.840 19.224 2.075 1.00 0.00 H new ATOM 0 HG2 GLU A1103 4.702 18.014 3.265 1.00 0.00 H new ATOM 0 HG3 GLU A1103 5.724 18.323 1.875 1.00 0.00 H new ATOM 548 N TRP A1104 1.352 16.043 1.993 1.00 0.00 N ATOM 549 CA TRP A1104 0.562 15.371 3.015 1.00 0.00 C ATOM 550 C TRP A1104 -0.070 14.102 2.482 1.00 0.00 C ATOM 551 O TRP A1104 -0.945 14.142 1.611 1.00 0.00 O ATOM 552 CB TRP A1104 -0.529 16.288 3.545 1.00 0.00 C ATOM 553 CG TRP A1104 -0.007 17.420 4.357 1.00 0.00 C ATOM 554 CD1 TRP A1104 0.481 18.607 3.898 1.00 0.00 C ATOM 555 CD2 TRP A1104 0.078 17.471 5.779 1.00 0.00 C ATOM 556 NE1 TRP A1104 0.849 19.398 4.951 1.00 0.00 N ATOM 557 CE2 TRP A1104 0.610 18.721 6.117 1.00 0.00 C ATOM 558 CE3 TRP A1104 -0.254 16.577 6.800 1.00 0.00 C ATOM 559 CZ2 TRP A1104 0.815 19.104 7.432 1.00 0.00 C ATOM 560 CZ3 TRP A1104 -0.046 16.958 8.107 1.00 0.00 C ATOM 561 CH2 TRP A1104 0.484 18.214 8.414 1.00 0.00 C ATOM 0 H TRP A1104 0.946 16.016 1.058 1.00 0.00 H new ATOM 0 HA TRP A1104 1.243 15.110 3.826 1.00 0.00 H new ATOM 0 HB2 TRP A1104 -1.099 16.686 2.705 1.00 0.00 H new ATOM 0 HB3 TRP A1104 -1.221 15.704 4.152 1.00 0.00 H new ATOM 0 HD1 TRP A1104 0.565 18.882 2.857 1.00 0.00 H new ATOM 0 HE1 TRP A1104 1.238 20.338 4.880 1.00 0.00 H new ATOM 0 HE3 TRP A1104 -0.666 15.606 6.569 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 1.223 20.074 7.673 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 -0.296 16.276 8.906 1.00 0.00 H new ATOM 0 HH2 TRP A1104 0.635 18.486 9.448 1.00 0.00 H new ATOM 572 N TRP A1105 0.371 12.977 3.006 1.00 0.00 N ATOM 573 CA TRP A1105 -0.159 11.692 2.596 1.00 0.00 C ATOM 574 C TRP A1105 -0.875 11.039 3.759 1.00 0.00 C ATOM 575 O TRP A1105 -0.705 11.437 4.909 1.00 0.00 O ATOM 576 CB TRP A1105 0.953 10.787 2.063 1.00 0.00 C ATOM 577 CG TRP A1105 1.603 11.330 0.828 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.272 12.475 0.172 1.00 0.00 C ATOM 579 CD2 TRP A1105 2.687 10.757 0.103 1.00 0.00 C ATOM 580 NE1 TRP A1105 2.084 12.664 -0.906 1.00 0.00 N ATOM 581 CE2 TRP A1105 2.967 11.618 -0.978 1.00 0.00 C ATOM 582 CE3 TRP A1105 3.450 9.601 0.263 1.00 0.00 C ATOM 583 CZ2 TRP A1105 3.982 11.357 -1.891 1.00 0.00 C ATOM 584 CZ3 TRP A1105 4.455 9.343 -0.646 1.00 0.00 C ATOM 585 CH2 TRP A1105 4.716 10.218 -1.710 1.00 0.00 C ATOM 0 H TRP A1105 1.098 12.926 3.720 1.00 0.00 H new ATOM 0 HA TRP A1105 -0.872 11.849 1.787 1.00 0.00 H new ATOM 0 HB2 TRP A1105 1.709 10.654 2.837 1.00 0.00 H new ATOM 0 HB3 TRP A1105 0.541 9.801 1.847 1.00 0.00 H new ATOM 0 HD1 TRP A1105 0.475 13.142 0.465 1.00 0.00 H new ATOM 0 HE1 TRP A1105 2.042 13.452 -1.552 1.00 0.00 H new ATOM 0 HE3 TRP A1105 3.258 8.922 1.081 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 4.183 12.029 -2.712 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 5.052 8.450 -0.536 1.00 0.00 H new ATOM 0 HH2 TRP A1105 5.513 9.987 -2.401 1.00 0.00 H new ATOM 596 N ILE A1106 -1.670 10.041 3.455 1.00 0.00 N ATOM 597 CA ILE A1106 -2.508 9.408 4.449 1.00 0.00 C ATOM 598 C ILE A1106 -2.085 7.969 4.628 1.00 0.00 C ATOM 599 O ILE A1106 -1.684 7.313 3.669 1.00 0.00 O ATOM 600 CB ILE A1106 -3.986 9.436 4.027 1.00 0.00 C ATOM 601 CG1 ILE A1106 -4.378 10.837 3.561 1.00 0.00 C ATOM 602 CG2 ILE A1106 -4.872 8.988 5.182 1.00 0.00 C ATOM 603 CD1 ILE A1106 -5.668 10.862 2.777 1.00 0.00 C ATOM 0 H ILE A1106 -1.755 9.646 2.519 1.00 0.00 H new ATOM 0 HA ILE A1106 -2.395 9.958 5.383 1.00 0.00 H new ATOM 0 HB ILE A1106 -4.127 8.745 3.196 1.00 0.00 H new ATOM 0 HG12 ILE A1106 -4.475 11.488 4.430 1.00 0.00 H new ATOM 0 HG13 ILE A1106 -3.577 11.245 2.944 1.00 0.00 H new ATOM 0 HG21 ILE A1106 -5.916 9.012 4.870 1.00 0.00 H new ATOM 0 HG22 ILE A1106 -4.604 7.973 5.474 1.00 0.00 H new ATOM 0 HG23 ILE A1106 -4.731 9.658 6.030 1.00 0.00 H new ATOM 0 HD11 ILE A1106 -5.891 11.885 2.475 1.00 0.00 H new ATOM 0 HD12 ILE A1106 -5.567 10.236 1.890 1.00 0.00 H new ATOM 0 HD13 ILE A1106 -6.479 10.483 3.399 1.00 0.00 H new ATOM 615 N GLY A1107 -2.147 7.490 5.849 1.00 0.00 N ATOM 616 CA GLY A1107 -1.832 6.111 6.094 1.00 0.00 C ATOM 617 C GLY A1107 -1.903 5.764 7.553 1.00 0.00 C ATOM 618 O GLY A1107 -2.552 6.462 8.334 1.00 0.00 O ATOM 0 H GLY A1107 -2.409 8.029 6.674 1.00 0.00 H new ATOM 0 HA2 GLY A1107 -2.523 5.478 5.538 1.00 0.00 H new ATOM 0 HA3 GLY A1107 -0.831 5.897 5.719 1.00 0.00 H new ATOM 622 N HIS A1108 -1.222 4.699 7.924 1.00 0.00 N ATOM 623 CA HIS A1108 -1.219 4.240 9.304 1.00 0.00 C ATOM 624 C HIS A1108 0.162 3.705 9.662 1.00 0.00 C ATOM 625 O HIS A1108 0.893 3.233 8.790 1.00 0.00 O ATOM 626 CB HIS A1108 -2.306 3.166 9.536 1.00 0.00 C ATOM 627 CG HIS A1108 -2.076 1.848 8.848 1.00 0.00 C ATOM 628 ND1 HIS A1108 -1.124 0.904 9.037 1.00 0.00 N flip ATOM 629 CD2 HIS A1108 -2.910 1.346 7.871 1.00 0.00 C flip ATOM 630 CE1 HIS A1108 -1.395 -0.136 8.189 1.00 0.00 C flip ATOM 631 NE2 HIS A1108 -2.478 0.157 7.494 1.00 0.00 N flip ATOM 0 H HIS A1108 -0.661 4.131 7.289 1.00 0.00 H new ATOM 0 HA HIS A1108 -1.451 5.083 9.955 1.00 0.00 H new ATOM 0 HB2 HIS A1108 -2.390 2.986 10.608 1.00 0.00 H new ATOM 0 HB3 HIS A1108 -3.264 3.567 9.204 1.00 0.00 H new ATOM 0 HD1 HIS A1108 -0.345 0.958 9.693 1.00 0.00 H new ATOM 0 HD2 HIS A1108 -3.781 1.848 7.476 1.00 0.00 H new ATOM 0 HE1 HIS A1108 -0.818 -1.045 8.103 1.00 0.00 H new ATOM 640 N ILE A1109 0.518 3.794 10.934 1.00 0.00 N ATOM 641 CA ILE A1109 1.804 3.298 11.403 1.00 0.00 C ATOM 642 C ILE A1109 1.904 1.795 11.178 1.00 0.00 C ATOM 643 O ILE A1109 0.973 1.060 11.506 1.00 0.00 O ATOM 644 CB ILE A1109 2.024 3.623 12.898 1.00 0.00 C ATOM 645 CG1 ILE A1109 2.012 5.139 13.118 1.00 0.00 C ATOM 646 CG2 ILE A1109 3.321 3.014 13.410 1.00 0.00 C ATOM 647 CD1 ILE A1109 2.982 5.898 12.239 1.00 0.00 C ATOM 0 H ILE A1109 -0.066 4.206 11.662 1.00 0.00 H new ATOM 0 HA ILE A1109 2.583 3.801 10.829 1.00 0.00 H new ATOM 0 HB ILE A1109 1.205 3.181 13.466 1.00 0.00 H new ATOM 0 HG12 ILE A1109 1.005 5.514 12.937 1.00 0.00 H new ATOM 0 HG13 ILE A1109 2.246 5.346 14.162 1.00 0.00 H new ATOM 0 HG21 ILE A1109 3.447 3.260 14.464 1.00 0.00 H new ATOM 0 HG22 ILE A1109 3.286 1.931 13.292 1.00 0.00 H new ATOM 0 HG23 ILE A1109 4.160 3.414 12.841 1.00 0.00 H new ATOM 0 HD11 ILE A1109 2.912 6.964 12.456 1.00 0.00 H new ATOM 0 HD12 ILE A1109 3.997 5.553 12.436 1.00 0.00 H new ATOM 0 HD13 ILE A1109 2.736 5.724 11.191 1.00 0.00 H new ATOM 659 N GLU A1110 3.003 1.353 10.585 1.00 0.00 N ATOM 660 CA GLU A1110 3.135 -0.031 10.137 1.00 0.00 C ATOM 661 C GLU A1110 2.821 -1.024 11.250 1.00 0.00 C ATOM 662 O GLU A1110 1.918 -1.855 11.109 1.00 0.00 O ATOM 663 CB GLU A1110 4.539 -0.277 9.590 1.00 0.00 C ATOM 664 CG GLU A1110 4.756 -1.696 9.093 1.00 0.00 C ATOM 665 CD GLU A1110 6.084 -1.867 8.396 1.00 0.00 C ATOM 666 OE1 GLU A1110 7.127 -1.851 9.080 1.00 0.00 O ATOM 667 OE2 GLU A1110 6.093 -2.010 7.158 1.00 0.00 O ATOM 0 H GLU A1110 3.821 1.933 10.401 1.00 0.00 H new ATOM 0 HA GLU A1110 2.405 -0.189 9.343 1.00 0.00 H new ATOM 0 HB2 GLU A1110 4.729 0.419 8.773 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.268 -0.058 10.370 1.00 0.00 H new ATOM 0 HG2 GLU A1110 4.700 -2.385 9.936 1.00 0.00 H new ATOM 0 HG3 GLU A1110 3.952 -1.964 8.408 1.00 0.00 H new ATOM 674 N GLY A1111 3.544 -0.917 12.360 1.00 0.00 N ATOM 675 CA GLY A1111 3.378 -1.859 13.450 1.00 0.00 C ATOM 676 C GLY A1111 2.216 -1.517 14.363 1.00 0.00 C ATOM 677 O GLY A1111 1.962 -2.221 15.339 1.00 0.00 O ATOM 0 H GLY A1111 4.243 -0.193 12.524 1.00 0.00 H new ATOM 0 HA2 GLY A1111 3.227 -2.857 13.039 1.00 0.00 H new ATOM 0 HA3 GLY A1111 4.296 -1.891 14.037 1.00 0.00 H new ATOM 681 N GLN A1112 1.505 -0.444 14.051 1.00 0.00 N ATOM 682 CA GLN A1112 0.361 -0.031 14.851 1.00 0.00 C ATOM 683 C GLN A1112 -0.726 0.541 13.946 1.00 0.00 C ATOM 684 O GLN A1112 -0.809 1.754 13.739 1.00 0.00 O ATOM 685 CB GLN A1112 0.787 0.997 15.899 1.00 0.00 C ATOM 686 CG GLN A1112 -0.264 1.242 16.963 1.00 0.00 C ATOM 687 CD GLN A1112 -0.604 -0.012 17.740 1.00 0.00 C ATOM 688 OE1 GLN A1112 -1.501 -0.765 17.363 1.00 0.00 O ATOM 689 NE2 GLN A1112 0.111 -0.248 18.827 1.00 0.00 N ATOM 0 H GLN A1112 1.700 0.157 13.250 1.00 0.00 H new ATOM 0 HA GLN A1112 -0.040 -0.901 15.372 1.00 0.00 H new ATOM 0 HB2 GLN A1112 1.706 0.658 16.378 1.00 0.00 H new ATOM 0 HB3 GLN A1112 1.016 1.939 15.401 1.00 0.00 H new ATOM 0 HG2 GLN A1112 0.093 2.007 17.652 1.00 0.00 H new ATOM 0 HG3 GLN A1112 -1.168 1.631 16.494 1.00 0.00 H new ATOM 0 HE21 GLN A1112 0.846 0.402 19.105 1.00 0.00 H new ATOM 0 HE22 GLN A1112 -0.073 -1.080 19.387 1.00 0.00 H new ATOM 698 N PRO A1113 -1.581 -0.341 13.406 1.00 0.00 N ATOM 699 CA PRO A1113 -2.564 0.015 12.375 1.00 0.00 C ATOM 700 C PRO A1113 -3.575 1.065 12.825 1.00 0.00 C ATOM 701 O PRO A1113 -4.071 1.837 12.006 1.00 0.00 O ATOM 702 CB PRO A1113 -3.278 -1.310 12.075 1.00 0.00 C ATOM 703 CG PRO A1113 -2.363 -2.370 12.581 1.00 0.00 C ATOM 704 CD PRO A1113 -1.656 -1.770 13.760 1.00 0.00 C ATOM 0 HA PRO A1113 -2.071 0.464 11.513 1.00 0.00 H new ATOM 0 HB2 PRO A1113 -4.247 -1.356 12.572 1.00 0.00 H new ATOM 0 HB3 PRO A1113 -3.462 -1.425 11.007 1.00 0.00 H new ATOM 0 HG2 PRO A1113 -2.919 -3.261 12.871 1.00 0.00 H new ATOM 0 HG3 PRO A1113 -1.653 -2.673 11.812 1.00 0.00 H new ATOM 0 HD2 PRO A1113 -2.209 -1.928 14.686 1.00 0.00 H new ATOM 0 HD3 PRO A1113 -0.666 -2.204 13.901 1.00 0.00 H new ATOM 712 N GLU A1114 -3.875 1.111 14.120 1.00 0.00 N ATOM 713 CA GLU A1114 -4.877 2.043 14.618 1.00 0.00 C ATOM 714 C GLU A1114 -4.311 3.455 14.742 1.00 0.00 C ATOM 715 O GLU A1114 -5.048 4.411 14.983 1.00 0.00 O ATOM 716 CB GLU A1114 -5.454 1.569 15.948 1.00 0.00 C ATOM 717 CG GLU A1114 -4.433 1.420 17.057 1.00 0.00 C ATOM 718 CD GLU A1114 -5.072 0.945 18.342 1.00 0.00 C ATOM 719 OE1 GLU A1114 -5.662 1.779 19.059 1.00 0.00 O ATOM 720 OE2 GLU A1114 -5.001 -0.266 18.630 1.00 0.00 O ATOM 0 H GLU A1114 -3.445 0.522 14.833 1.00 0.00 H new ATOM 0 HA GLU A1114 -5.688 2.074 13.890 1.00 0.00 H new ATOM 0 HB2 GLU A1114 -6.221 2.274 16.269 1.00 0.00 H new ATOM 0 HB3 GLU A1114 -5.948 0.609 15.794 1.00 0.00 H new ATOM 0 HG2 GLU A1114 -3.662 0.713 16.750 1.00 0.00 H new ATOM 0 HG3 GLU A1114 -3.938 2.376 17.228 1.00 0.00 H new ATOM 727 N ARG A1115 -3.003 3.591 14.574 1.00 0.00 N ATOM 728 CA ARG A1115 -2.397 4.908 14.492 1.00 0.00 C ATOM 729 C ARG A1115 -2.426 5.375 13.050 1.00 0.00 C ATOM 730 O ARG A1115 -1.490 5.126 12.291 1.00 0.00 O ATOM 731 CB ARG A1115 -0.955 4.897 14.995 1.00 0.00 C ATOM 732 CG ARG A1115 -0.819 4.737 16.497 1.00 0.00 C ATOM 733 CD ARG A1115 0.645 4.720 16.917 1.00 0.00 C ATOM 734 NE ARG A1115 1.336 5.976 16.605 1.00 0.00 N ATOM 735 CZ ARG A1115 2.664 6.098 16.520 1.00 0.00 C ATOM 736 NH1 ARG A1115 3.448 5.052 16.750 1.00 0.00 N ATOM 737 NH2 ARG A1115 3.216 7.266 16.212 1.00 0.00 N ATOM 0 H ARG A1115 -2.349 2.813 14.493 1.00 0.00 H new ATOM 0 HA ARG A1115 -2.966 5.588 15.126 1.00 0.00 H new ATOM 0 HB2 ARG A1115 -0.418 4.085 14.505 1.00 0.00 H new ATOM 0 HB3 ARG A1115 -0.471 5.826 14.695 1.00 0.00 H new ATOM 0 HG2 ARG A1115 -1.336 5.554 17.001 1.00 0.00 H new ATOM 0 HG3 ARG A1115 -1.302 3.812 16.812 1.00 0.00 H new ATOM 0 HD2 ARG A1115 0.710 4.531 17.988 1.00 0.00 H new ATOM 0 HD3 ARG A1115 1.153 3.896 16.416 1.00 0.00 H new ATOM 0 HE ARG A1115 0.768 6.807 16.443 1.00 0.00 H new ATOM 0 HH11 ARG A1115 3.037 4.150 16.993 1.00 0.00 H new ATOM 0 HH12 ARG A1115 4.461 5.150 16.684 1.00 0.00 H new ATOM 0 HH21 ARG A1115 2.625 8.079 16.038 1.00 0.00 H new ATOM 0 HH22 ARG A1115 4.231 7.350 16.149 1.00 0.00 H new ATOM 751 N LYS A1116 -3.501 6.043 12.675 1.00 0.00 N ATOM 752 CA LYS A1116 -3.677 6.484 11.303 1.00 0.00 C ATOM 753 C LYS A1116 -3.932 7.982 11.253 1.00 0.00 C ATOM 754 O LYS A1116 -4.227 8.606 12.275 1.00 0.00 O ATOM 755 CB LYS A1116 -4.832 5.731 10.621 1.00 0.00 C ATOM 756 CG LYS A1116 -6.230 6.177 11.048 1.00 0.00 C ATOM 757 CD LYS A1116 -6.562 5.762 12.472 1.00 0.00 C ATOM 758 CE LYS A1116 -7.923 6.285 12.909 1.00 0.00 C ATOM 759 NZ LYS A1116 -9.023 5.771 12.050 1.00 0.00 N ATOM 0 H LYS A1116 -4.266 6.292 13.301 1.00 0.00 H new ATOM 0 HA LYS A1116 -2.757 6.262 10.762 1.00 0.00 H new ATOM 0 HB2 LYS A1116 -4.740 5.855 9.542 1.00 0.00 H new ATOM 0 HB3 LYS A1116 -4.726 4.666 10.830 1.00 0.00 H new ATOM 0 HG2 LYS A1116 -6.304 7.261 10.962 1.00 0.00 H new ATOM 0 HG3 LYS A1116 -6.968 5.752 10.367 1.00 0.00 H new ATOM 0 HD2 LYS A1116 -6.549 4.675 12.546 1.00 0.00 H new ATOM 0 HD3 LYS A1116 -5.794 6.137 13.149 1.00 0.00 H new ATOM 0 HE2 LYS A1116 -8.107 5.996 13.944 1.00 0.00 H new ATOM 0 HE3 LYS A1116 -7.919 7.375 12.878 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 -9.940 6.011 12.479 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 -8.958 6.204 11.107 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 -8.941 4.738 11.963 1.00 0.00 H new ATOM 773 N GLY A1117 -3.806 8.548 10.067 1.00 0.00 N ATOM 774 CA GLY A1117 -4.027 9.961 9.892 1.00 0.00 C ATOM 775 C GLY A1117 -3.276 10.490 8.699 1.00 0.00 C ATOM 776 O GLY A1117 -2.774 9.715 7.878 1.00 0.00 O ATOM 0 H GLY A1117 -3.552 8.047 9.215 1.00 0.00 H new ATOM 0 HA2 GLY A1117 -5.093 10.151 9.767 1.00 0.00 H new ATOM 0 HA3 GLY A1117 -3.711 10.494 10.789 1.00 0.00 H new ATOM 780 N VAL A1118 -3.194 11.802 8.597 1.00 0.00 N ATOM 781 CA VAL A1118 -2.471 12.429 7.510 1.00 0.00 C ATOM 782 C VAL A1118 -1.132 12.961 8.011 1.00 0.00 C ATOM 783 O VAL A1118 -1.077 13.754 8.954 1.00 0.00 O ATOM 784 CB VAL A1118 -3.286 13.571 6.873 1.00 0.00 C ATOM 785 CG1 VAL A1118 -2.631 14.044 5.588 1.00 0.00 C ATOM 786 CG2 VAL A1118 -4.714 13.122 6.607 1.00 0.00 C ATOM 0 H VAL A1118 -3.620 12.455 9.255 1.00 0.00 H new ATOM 0 HA VAL A1118 -2.298 11.673 6.744 1.00 0.00 H new ATOM 0 HB VAL A1118 -3.310 14.406 7.573 1.00 0.00 H new ATOM 0 HG11 VAL A1118 -3.222 14.851 5.154 1.00 0.00 H new ATOM 0 HG12 VAL A1118 -1.626 14.406 5.804 1.00 0.00 H new ATOM 0 HG13 VAL A1118 -2.574 13.215 4.882 1.00 0.00 H new ATOM 0 HG21 VAL A1118 -5.275 13.941 6.157 1.00 0.00 H new ATOM 0 HG22 VAL A1118 -4.707 12.270 5.927 1.00 0.00 H new ATOM 0 HG23 VAL A1118 -5.185 12.832 7.546 1.00 0.00 H new ATOM 796 N PHE A1119 -0.061 12.491 7.397 1.00 0.00 N ATOM 797 CA PHE A1119 1.291 12.875 7.788 1.00 0.00 C ATOM 798 C PHE A1119 1.961 13.752 6.734 1.00 0.00 C ATOM 799 O PHE A1119 1.807 13.528 5.530 1.00 0.00 O ATOM 800 CB PHE A1119 2.139 11.626 8.052 1.00 0.00 C ATOM 801 CG PHE A1119 2.006 10.549 7.011 1.00 0.00 C ATOM 802 CD1 PHE A1119 0.973 9.630 7.088 1.00 0.00 C ATOM 803 CD2 PHE A1119 2.913 10.444 5.966 1.00 0.00 C ATOM 804 CE1 PHE A1119 0.843 8.631 6.150 1.00 0.00 C ATOM 805 CE2 PHE A1119 2.788 9.440 5.022 1.00 0.00 C ATOM 806 CZ PHE A1119 1.749 8.533 5.116 1.00 0.00 C ATOM 0 H PHE A1119 -0.099 11.835 6.617 1.00 0.00 H new ATOM 0 HA PHE A1119 1.215 13.461 8.704 1.00 0.00 H new ATOM 0 HB2 PHE A1119 3.186 11.921 8.119 1.00 0.00 H new ATOM 0 HB3 PHE A1119 1.862 11.212 9.022 1.00 0.00 H new ATOM 0 HD1 PHE A1119 0.259 9.698 7.896 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.724 11.153 5.889 1.00 0.00 H new ATOM 0 HE1 PHE A1119 0.030 7.923 6.224 1.00 0.00 H new ATOM 0 HE2 PHE A1119 3.500 9.365 4.214 1.00 0.00 H new ATOM 0 HZ PHE A1119 1.647 7.749 4.380 1.00 0.00 H new ATOM 816 N PRO A1120 2.711 14.776 7.182 1.00 0.00 N ATOM 817 CA PRO A1120 3.468 15.650 6.290 1.00 0.00 C ATOM 818 C PRO A1120 4.700 14.955 5.722 1.00 0.00 C ATOM 819 O PRO A1120 5.565 14.477 6.464 1.00 0.00 O ATOM 820 CB PRO A1120 3.879 16.816 7.188 1.00 0.00 C ATOM 821 CG PRO A1120 3.922 16.244 8.560 1.00 0.00 C ATOM 822 CD PRO A1120 2.866 15.169 8.597 1.00 0.00 C ATOM 0 HA PRO A1120 2.882 15.956 5.423 1.00 0.00 H new ATOM 0 HB2 PRO A1120 4.850 17.217 6.896 1.00 0.00 H new ATOM 0 HB3 PRO A1120 3.163 17.636 7.124 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.907 15.831 8.780 1.00 0.00 H new ATOM 0 HG3 PRO A1120 3.724 17.011 9.309 1.00 0.00 H new ATOM 0 HD2 PRO A1120 3.176 14.326 9.214 1.00 0.00 H new ATOM 0 HD3 PRO A1120 1.930 15.542 9.013 1.00 0.00 H new ATOM 830 N VAL A1121 4.774 14.912 4.399 1.00 0.00 N ATOM 831 CA VAL A1121 5.900 14.323 3.695 1.00 0.00 C ATOM 832 C VAL A1121 7.182 15.095 4.019 1.00 0.00 C ATOM 833 O VAL A1121 8.292 14.583 3.881 1.00 0.00 O ATOM 834 CB VAL A1121 5.642 14.312 2.169 1.00 0.00 C ATOM 835 CG1 VAL A1121 6.804 13.687 1.415 1.00 0.00 C ATOM 836 CG2 VAL A1121 4.346 13.575 1.848 1.00 0.00 C ATOM 0 H VAL A1121 4.052 15.286 3.784 1.00 0.00 H new ATOM 0 HA VAL A1121 6.019 13.291 4.026 1.00 0.00 H new ATOM 0 HB VAL A1121 5.547 15.348 1.843 1.00 0.00 H new ATOM 0 HG11 VAL A1121 6.591 13.695 0.346 1.00 0.00 H new ATOM 0 HG12 VAL A1121 7.712 14.258 1.608 1.00 0.00 H new ATOM 0 HG13 VAL A1121 6.944 12.659 1.749 1.00 0.00 H new ATOM 0 HG21 VAL A1121 4.183 13.579 0.770 1.00 0.00 H new ATOM 0 HG22 VAL A1121 4.415 12.546 2.201 1.00 0.00 H new ATOM 0 HG23 VAL A1121 3.512 14.073 2.343 1.00 0.00 H new ATOM 846 N SER A1122 7.008 16.318 4.501 1.00 0.00 N ATOM 847 CA SER A1122 8.119 17.161 4.903 1.00 0.00 C ATOM 848 C SER A1122 8.903 16.554 6.068 1.00 0.00 C ATOM 849 O SER A1122 10.081 16.856 6.253 1.00 0.00 O ATOM 850 CB SER A1122 7.589 18.548 5.266 1.00 0.00 C ATOM 851 OG SER A1122 6.237 18.474 5.692 1.00 0.00 O ATOM 0 H SER A1122 6.092 16.751 4.623 1.00 0.00 H new ATOM 0 HA SER A1122 8.814 17.242 4.067 1.00 0.00 H new ATOM 0 HB2 SER A1122 8.201 18.981 6.057 1.00 0.00 H new ATOM 0 HB3 SER A1122 7.668 19.210 4.404 1.00 0.00 H new ATOM 0 HG SER A1122 5.722 19.195 5.273 1.00 0.00 H new ATOM 857 N PHE A1123 8.266 15.677 6.833 1.00 0.00 N ATOM 858 CA PHE A1123 8.901 15.103 8.016 1.00 0.00 C ATOM 859 C PHE A1123 9.190 13.611 7.819 1.00 0.00 C ATOM 860 O PHE A1123 9.697 12.940 8.721 1.00 0.00 O ATOM 861 CB PHE A1123 8.014 15.298 9.255 1.00 0.00 C ATOM 862 CG PHE A1123 7.771 16.735 9.661 1.00 0.00 C ATOM 863 CD1 PHE A1123 7.534 17.723 8.719 1.00 0.00 C ATOM 864 CD2 PHE A1123 7.733 17.081 11.000 1.00 0.00 C ATOM 865 CE1 PHE A1123 7.266 19.016 9.094 1.00 0.00 C ATOM 866 CE2 PHE A1123 7.474 18.379 11.390 1.00 0.00 C ATOM 867 CZ PHE A1123 7.235 19.353 10.431 1.00 0.00 C ATOM 0 H PHE A1123 7.316 15.348 6.659 1.00 0.00 H new ATOM 0 HA PHE A1123 9.847 15.624 8.168 1.00 0.00 H new ATOM 0 HB2 PHE A1123 7.051 14.823 9.069 1.00 0.00 H new ATOM 0 HB3 PHE A1123 8.471 14.774 10.094 1.00 0.00 H new ATOM 0 HD1 PHE A1123 7.561 17.471 7.669 1.00 0.00 H new ATOM 0 HD2 PHE A1123 7.909 16.325 11.751 1.00 0.00 H new ATOM 0 HE1 PHE A1123 7.080 19.769 8.343 1.00 0.00 H new ATOM 0 HE2 PHE A1123 7.457 18.636 12.439 1.00 0.00 H new ATOM 0 HZ PHE A1123 7.026 20.369 10.730 1.00 0.00 H new ATOM 877 N VAL A1124 8.875 13.093 6.641 1.00 0.00 N ATOM 878 CA VAL A1124 9.073 11.671 6.367 1.00 0.00 C ATOM 879 C VAL A1124 9.835 11.460 5.065 1.00 0.00 C ATOM 880 O VAL A1124 9.987 12.380 4.263 1.00 0.00 O ATOM 881 CB VAL A1124 7.733 10.896 6.311 1.00 0.00 C ATOM 882 CG1 VAL A1124 7.096 10.822 7.686 1.00 0.00 C ATOM 883 CG2 VAL A1124 6.766 11.543 5.338 1.00 0.00 C ATOM 0 H VAL A1124 8.485 13.627 5.864 1.00 0.00 H new ATOM 0 HA VAL A1124 9.662 11.278 7.195 1.00 0.00 H new ATOM 0 HB VAL A1124 7.954 9.886 5.965 1.00 0.00 H new ATOM 0 HG11 VAL A1124 6.156 10.273 7.623 1.00 0.00 H new ATOM 0 HG12 VAL A1124 7.770 10.309 8.372 1.00 0.00 H new ATOM 0 HG13 VAL A1124 6.903 11.830 8.053 1.00 0.00 H new ATOM 0 HG21 VAL A1124 5.835 10.977 5.320 1.00 0.00 H new ATOM 0 HG22 VAL A1124 6.563 12.566 5.653 1.00 0.00 H new ATOM 0 HG23 VAL A1124 7.205 11.551 4.340 1.00 0.00 H new ATOM 893 N HIS A1125 10.328 10.248 4.865 1.00 0.00 N ATOM 894 CA HIS A1125 11.082 9.929 3.668 1.00 0.00 C ATOM 895 C HIS A1125 10.476 8.716 2.982 1.00 0.00 C ATOM 896 O HIS A1125 10.219 7.692 3.621 1.00 0.00 O ATOM 897 CB HIS A1125 12.542 9.670 4.032 1.00 0.00 C ATOM 898 CG HIS A1125 13.478 9.643 2.865 1.00 0.00 C ATOM 899 ND1 HIS A1125 13.791 10.762 2.127 1.00 0.00 N ATOM 900 CD2 HIS A1125 14.181 8.629 2.319 1.00 0.00 C ATOM 901 CE1 HIS A1125 14.645 10.437 1.179 1.00 0.00 C ATOM 902 NE2 HIS A1125 14.898 9.148 1.272 1.00 0.00 N ATOM 0 H HIS A1125 10.219 9.471 5.517 1.00 0.00 H new ATOM 0 HA HIS A1125 11.040 10.772 2.978 1.00 0.00 H new ATOM 0 HB2 HIS A1125 12.872 10.441 4.728 1.00 0.00 H new ATOM 0 HB3 HIS A1125 12.609 8.717 4.557 1.00 0.00 H new ATOM 0 HD2 HIS A1125 14.179 7.600 2.646 1.00 0.00 H new ATOM 0 HE1 HIS A1125 15.066 11.113 0.449 1.00 0.00 H new ATOM 0 HE2 HIS A1125 15.525 8.621 0.664 1.00 0.00 H new ATOM 911 N ILE A1126 10.249 8.843 1.689 1.00 0.00 N ATOM 912 CA ILE A1126 9.607 7.794 0.906 1.00 0.00 C ATOM 913 C ILE A1126 10.569 6.637 0.676 1.00 0.00 C ATOM 914 O ILE A1126 11.724 6.848 0.300 1.00 0.00 O ATOM 915 CB ILE A1126 9.078 8.324 -0.456 1.00 0.00 C ATOM 916 CG1 ILE A1126 7.776 9.113 -0.273 1.00 0.00 C ATOM 917 CG2 ILE A1126 8.851 7.183 -1.442 1.00 0.00 C ATOM 918 CD1 ILE A1126 7.931 10.459 0.402 1.00 0.00 C ATOM 0 H ILE A1126 10.502 9.671 1.149 1.00 0.00 H new ATOM 0 HA ILE A1126 8.750 7.442 1.480 1.00 0.00 H new ATOM 0 HB ILE A1126 9.840 8.990 -0.861 1.00 0.00 H new ATOM 0 HG12 ILE A1126 7.321 9.265 -1.252 1.00 0.00 H new ATOM 0 HG13 ILE A1126 7.082 8.509 0.311 1.00 0.00 H new ATOM 0 HG21 ILE A1126 8.481 7.585 -2.385 1.00 0.00 H new ATOM 0 HG22 ILE A1126 9.791 6.659 -1.615 1.00 0.00 H new ATOM 0 HG23 ILE A1126 8.118 6.488 -1.032 1.00 0.00 H new ATOM 0 HD11 ILE A1126 6.956 10.939 0.485 1.00 0.00 H new ATOM 0 HD12 ILE A1126 8.353 10.320 1.397 1.00 0.00 H new ATOM 0 HD13 ILE A1126 8.596 11.088 -0.190 1.00 0.00 H new ATOM 930 N LEU A1127 10.095 5.418 0.909 1.00 0.00 N ATOM 931 CA LEU A1127 10.930 4.236 0.770 1.00 0.00 C ATOM 932 C LEU A1127 10.311 3.244 -0.199 1.00 0.00 C ATOM 933 O LEU A1127 10.012 2.107 0.162 1.00 0.00 O ATOM 934 CB LEU A1127 11.140 3.568 2.124 1.00 0.00 C ATOM 935 CG LEU A1127 11.713 4.476 3.200 1.00 0.00 C ATOM 936 CD1 LEU A1127 11.866 3.718 4.500 1.00 0.00 C ATOM 937 CD2 LEU A1127 13.045 5.059 2.763 1.00 0.00 C ATOM 0 H LEU A1127 9.135 5.225 1.195 1.00 0.00 H new ATOM 0 HA LEU A1127 11.895 4.554 0.375 1.00 0.00 H new ATOM 0 HB2 LEU A1127 10.185 3.174 2.471 1.00 0.00 H new ATOM 0 HB3 LEU A1127 11.807 2.716 1.994 1.00 0.00 H new ATOM 0 HG LEU A1127 11.018 5.301 3.357 1.00 0.00 H new ATOM 0 HD11 LEU A1127 12.277 4.381 5.261 1.00 0.00 H new ATOM 0 HD12 LEU A1127 10.892 3.353 4.825 1.00 0.00 H new ATOM 0 HD13 LEU A1127 12.539 2.874 4.352 1.00 0.00 H new ATOM 0 HD21 LEU A1127 13.435 5.705 3.549 1.00 0.00 H new ATOM 0 HD22 LEU A1127 13.751 4.251 2.574 1.00 0.00 H new ATOM 0 HD23 LEU A1127 12.906 5.640 1.851 1.00 0.00 H new ATOM 949 N SER A1128 10.119 3.680 -1.427 1.00 0.00 N ATOM 950 CA SER A1128 9.663 2.792 -2.487 1.00 0.00 C ATOM 951 C SER A1128 10.865 2.119 -3.138 1.00 0.00 C ATOM 952 O SER A1128 10.757 1.428 -4.154 1.00 0.00 O ATOM 953 CB SER A1128 8.844 3.576 -3.513 1.00 0.00 C ATOM 954 OG SER A1128 9.470 4.811 -3.827 1.00 0.00 O ATOM 0 H SER A1128 10.271 4.645 -1.720 1.00 0.00 H new ATOM 0 HA SER A1128 9.020 2.019 -2.067 1.00 0.00 H new ATOM 0 HB2 SER A1128 8.727 2.983 -4.420 1.00 0.00 H new ATOM 0 HB3 SER A1128 7.844 3.760 -3.121 1.00 0.00 H new ATOM 0 HG SER A1128 8.929 5.294 -4.486 1.00 0.00 H new ATOM 960 N ASP A1129 12.011 2.335 -2.515 1.00 0.00 N ATOM 961 CA ASP A1129 13.276 1.794 -2.977 1.00 0.00 C ATOM 962 C ASP A1129 13.526 0.440 -2.330 1.00 0.00 C ATOM 963 O ASP A1129 13.340 -0.589 -3.010 1.00 0.00 O ATOM 964 CB ASP A1129 14.411 2.768 -2.642 1.00 0.00 C ATOM 965 CG ASP A1129 15.766 2.269 -3.095 1.00 0.00 C ATOM 966 OD1 ASP A1129 15.991 2.181 -4.318 1.00 0.00 O ATOM 967 OD2 ASP A1129 16.619 1.976 -2.233 1.00 0.00 O ATOM 968 OXT ASP A1129 13.862 0.408 -1.132 1.00 0.00 O ATOM 0 H ASP A1129 12.089 2.896 -1.667 1.00 0.00 H new ATOM 0 HA ASP A1129 13.239 1.661 -4.058 1.00 0.00 H new ATOM 0 HB2 ASP A1129 14.208 3.730 -3.112 1.00 0.00 H new ATOM 0 HB3 ASP A1129 14.433 2.937 -1.565 1.00 0.00 H new ATOM 974 N CYS B1578 18.317 8.903 14.178 1.00 0.00 N ATOM 975 CA CYS B1578 18.977 9.633 13.077 1.00 0.00 C ATOM 976 C CYS B1578 18.055 10.703 12.513 1.00 0.00 C ATOM 977 O CYS B1578 17.456 10.517 11.453 1.00 0.00 O ATOM 978 CB CYS B1578 19.373 8.670 11.955 1.00 0.00 C ATOM 979 SG CYS B1578 20.447 7.316 12.483 1.00 0.00 S ATOM 0 HA CYS B1578 19.872 10.106 13.481 1.00 0.00 H new ATOM 0 HB2 CYS B1578 18.468 8.250 11.516 1.00 0.00 H new ATOM 0 HB3 CYS B1578 19.877 9.233 11.170 1.00 0.00 H new ATOM 0 HG CYS B1578 20.722 6.558 11.464 1.00 0.00 H new ATOM 987 N ILE B1579 17.922 11.819 13.220 1.00 0.00 N ATOM 988 CA ILE B1579 17.133 12.924 12.704 1.00 0.00 C ATOM 989 C ILE B1579 17.824 13.531 11.503 1.00 0.00 C ATOM 990 O ILE B1579 18.983 13.950 11.584 1.00 0.00 O ATOM 991 CB ILE B1579 16.901 14.042 13.738 1.00 0.00 C ATOM 992 CG1 ILE B1579 16.101 13.532 14.932 1.00 0.00 C ATOM 993 CG2 ILE B1579 16.176 15.217 13.087 1.00 0.00 C ATOM 994 CD1 ILE B1579 15.748 14.632 15.903 1.00 0.00 C ATOM 0 H ILE B1579 18.343 11.979 14.135 1.00 0.00 H new ATOM 0 HA ILE B1579 16.162 12.505 12.438 1.00 0.00 H new ATOM 0 HB ILE B1579 17.874 14.375 14.099 1.00 0.00 H new ATOM 0 HG12 ILE B1579 15.186 13.058 14.577 1.00 0.00 H new ATOM 0 HG13 ILE B1579 16.677 12.765 15.450 1.00 0.00 H new ATOM 0 HG21 ILE B1579 16.017 16.002 13.827 1.00 0.00 H new ATOM 0 HG22 ILE B1579 16.779 15.608 12.267 1.00 0.00 H new ATOM 0 HG23 ILE B1579 15.213 14.882 12.701 1.00 0.00 H new ATOM 0 HD11 ILE B1579 15.179 14.215 16.734 1.00 0.00 H new ATOM 0 HD12 ILE B1579 16.662 15.090 16.282 1.00 0.00 H new ATOM 0 HD13 ILE B1579 15.148 15.387 15.395 1.00 0.00 H new ATOM 1006 N ILE B1580 17.120 13.561 10.394 1.00 0.00 N ATOM 1007 CA ILE B1580 17.621 14.204 9.199 1.00 0.00 C ATOM 1008 C ILE B1580 17.634 15.705 9.408 1.00 0.00 C ATOM 1009 O ILE B1580 16.617 16.283 9.730 1.00 0.00 O ATOM 1010 CB ILE B1580 16.757 13.828 7.964 1.00 0.00 C ATOM 1011 CG1 ILE B1580 17.267 12.532 7.344 1.00 0.00 C ATOM 1012 CG2 ILE B1580 16.714 14.941 6.925 1.00 0.00 C ATOM 1013 CD1 ILE B1580 17.204 11.361 8.290 1.00 0.00 C ATOM 0 H ILE B1580 16.194 13.145 10.294 1.00 0.00 H new ATOM 0 HA ILE B1580 18.637 13.859 9.007 1.00 0.00 H new ATOM 0 HB ILE B1580 15.734 13.683 8.312 1.00 0.00 H new ATOM 0 HG12 ILE B1580 16.679 12.305 6.455 1.00 0.00 H new ATOM 0 HG13 ILE B1580 18.297 12.673 7.017 1.00 0.00 H new ATOM 0 HG21 ILE B1580 16.098 14.628 6.082 1.00 0.00 H new ATOM 0 HG22 ILE B1580 16.289 15.840 7.372 1.00 0.00 H new ATOM 0 HG23 ILE B1580 17.725 15.153 6.576 1.00 0.00 H new ATOM 0 HD11 ILE B1580 17.581 10.469 7.790 1.00 0.00 H new ATOM 0 HD12 ILE B1580 17.815 11.570 9.168 1.00 0.00 H new ATOM 0 HD13 ILE B1580 16.171 11.196 8.597 1.00 0.00 H new ATOM 1025 N SER B1581 18.808 16.304 9.320 1.00 0.00 N ATOM 1026 CA SER B1581 18.942 17.755 9.313 1.00 0.00 C ATOM 1027 C SER B1581 18.273 18.427 10.520 1.00 0.00 C ATOM 1028 O SER B1581 18.031 17.801 11.558 1.00 0.00 O ATOM 1029 CB SER B1581 18.331 18.304 8.028 1.00 0.00 C ATOM 1030 OG SER B1581 19.054 17.867 6.886 1.00 0.00 O ATOM 0 H SER B1581 19.694 15.803 9.251 1.00 0.00 H new ATOM 0 HA SER B1581 20.006 17.982 9.372 1.00 0.00 H new ATOM 0 HB2 SER B1581 17.293 17.981 7.949 1.00 0.00 H new ATOM 0 HB3 SER B1581 18.324 19.393 8.062 1.00 0.00 H new ATOM 0 HG SER B1581 18.639 18.232 6.077 1.00 0.00 H new ATOM 1036 N ALA B1582 18.019 19.723 10.387 1.00 0.00 N ATOM 1037 CA ALA B1582 17.181 20.443 11.324 1.00 0.00 C ATOM 1038 C ALA B1582 15.724 20.290 10.917 1.00 0.00 C ATOM 1039 O ALA B1582 15.424 20.038 9.751 1.00 0.00 O ATOM 1040 CB ALA B1582 17.574 21.911 11.365 1.00 0.00 C ATOM 0 H ALA B1582 18.388 20.297 9.629 1.00 0.00 H new ATOM 0 HA ALA B1582 17.317 20.029 12.323 1.00 0.00 H new ATOM 0 HB1 ALA B1582 16.936 22.439 12.073 1.00 0.00 H new ATOM 0 HB2 ALA B1582 18.614 22.001 11.678 1.00 0.00 H new ATOM 0 HB3 ALA B1582 17.454 22.348 10.373 1.00 0.00 H new ATOM 1046 N MET B1583 14.830 20.438 11.881 1.00 0.00 N ATOM 1047 CA MET B1583 13.403 20.232 11.658 1.00 0.00 C ATOM 1048 C MET B1583 12.835 21.185 10.609 1.00 0.00 C ATOM 1049 O MET B1583 13.133 22.381 10.613 1.00 0.00 O ATOM 1050 CB MET B1583 12.645 20.395 12.977 1.00 0.00 C ATOM 1051 CG MET B1583 11.139 20.431 12.810 1.00 0.00 C ATOM 1052 SD MET B1583 10.287 19.537 14.113 1.00 0.00 S ATOM 1053 CE MET B1583 10.908 17.894 13.789 1.00 0.00 C ATOM 0 H MET B1583 15.068 20.703 12.837 1.00 0.00 H new ATOM 0 HA MET B1583 13.274 19.219 11.277 1.00 0.00 H new ATOM 0 HB2 MET B1583 12.909 19.573 13.642 1.00 0.00 H new ATOM 0 HB3 MET B1583 12.971 21.315 13.462 1.00 0.00 H new ATOM 0 HG2 MET B1583 10.801 21.467 12.803 1.00 0.00 H new ATOM 0 HG3 MET B1583 10.872 20.002 11.844 1.00 0.00 H new ATOM 0 HE1 MET B1583 11.018 17.354 14.730 1.00 0.00 H new ATOM 0 HE2 MET B1583 10.209 17.361 13.145 1.00 0.00 H new ATOM 0 HE3 MET B1583 11.877 17.962 13.295 1.00 0.00 H new ATOM 1063 N PRO B1584 12.007 20.649 9.691 1.00 0.00 N ATOM 1064 CA PRO B1584 11.284 21.440 8.711 1.00 0.00 C ATOM 1065 C PRO B1584 10.048 22.057 9.337 1.00 0.00 C ATOM 1066 O PRO B1584 9.809 21.919 10.535 1.00 0.00 O ATOM 1067 CB PRO B1584 10.900 20.415 7.650 1.00 0.00 C ATOM 1068 CG PRO B1584 10.725 19.153 8.407 1.00 0.00 C ATOM 1069 CD PRO B1584 11.699 19.216 9.551 1.00 0.00 C ATOM 0 HA PRO B1584 11.866 22.270 8.310 1.00 0.00 H new ATOM 0 HB2 PRO B1584 9.983 20.700 7.135 1.00 0.00 H new ATOM 0 HB3 PRO B1584 11.676 20.319 6.890 1.00 0.00 H new ATOM 0 HG2 PRO B1584 9.702 19.055 8.771 1.00 0.00 H new ATOM 0 HG3 PRO B1584 10.922 18.288 7.774 1.00 0.00 H new ATOM 0 HD2 PRO B1584 11.265 18.812 10.465 1.00 0.00 H new ATOM 0 HD3 PRO B1584 12.597 18.635 9.341 1.00 0.00 H new ATOM 1077 N THR B1585 9.260 22.722 8.537 1.00 0.00 N ATOM 1078 CA THR B1585 8.086 23.386 9.042 1.00 0.00 C ATOM 1079 C THR B1585 6.858 22.657 8.547 1.00 0.00 C ATOM 1080 O THR B1585 6.792 22.281 7.374 1.00 0.00 O ATOM 1081 CB THR B1585 8.031 24.853 8.571 1.00 0.00 C ATOM 1082 OG1 THR B1585 9.308 25.479 8.758 1.00 0.00 O ATOM 1083 CG2 THR B1585 6.967 25.635 9.328 1.00 0.00 C ATOM 0 H THR B1585 9.408 22.819 7.533 1.00 0.00 H new ATOM 0 HA THR B1585 8.123 23.377 10.131 1.00 0.00 H new ATOM 0 HB THR B1585 7.774 24.855 7.512 1.00 0.00 H new ATOM 0 HG1 THR B1585 9.264 26.410 8.454 1.00 0.00 H new ATOM 0 HG21 THR B1585 6.952 26.666 8.974 1.00 0.00 H new ATOM 0 HG22 THR B1585 5.991 25.179 9.159 1.00 0.00 H new ATOM 0 HG23 THR B1585 7.194 25.621 10.394 1.00 0.00 H new ATOM 1091 N LYS B1586 5.903 22.424 9.433 1.00 0.00 N ATOM 1092 CA LYS B1586 4.643 21.862 9.014 1.00 0.00 C ATOM 1093 C LYS B1586 3.953 22.882 8.129 1.00 0.00 C ATOM 1094 O LYS B1586 3.378 23.854 8.615 1.00 0.00 O ATOM 1095 CB LYS B1586 3.749 21.499 10.199 1.00 0.00 C ATOM 1096 CG LYS B1586 2.481 20.803 9.752 1.00 0.00 C ATOM 1097 CD LYS B1586 1.490 20.603 10.884 1.00 0.00 C ATOM 1098 CE LYS B1586 1.927 19.499 11.833 1.00 0.00 C ATOM 1099 NZ LYS B1586 0.880 19.196 12.843 1.00 0.00 N ATOM 0 H LYS B1586 5.980 22.614 10.432 1.00 0.00 H new ATOM 0 HA LYS B1586 4.830 20.935 8.472 1.00 0.00 H new ATOM 0 HB2 LYS B1586 4.297 20.852 10.884 1.00 0.00 H new ATOM 0 HB3 LYS B1586 3.492 22.403 10.752 1.00 0.00 H new ATOM 0 HG2 LYS B1586 2.010 21.388 8.962 1.00 0.00 H new ATOM 0 HG3 LYS B1586 2.736 19.834 9.323 1.00 0.00 H new ATOM 0 HD2 LYS B1586 1.379 21.535 11.438 1.00 0.00 H new ATOM 0 HD3 LYS B1586 0.511 20.360 10.471 1.00 0.00 H new ATOM 0 HE2 LYS B1586 2.154 18.598 11.263 1.00 0.00 H new ATOM 0 HE3 LYS B1586 2.845 19.796 12.339 1.00 0.00 H new ATOM 0 HZ1 LYS B1586 1.085 18.280 13.291 1.00 0.00 H new ATOM 0 HZ2 LYS B1586 0.871 19.942 13.568 1.00 0.00 H new ATOM 0 HZ3 LYS B1586 -0.049 19.154 12.378 1.00 0.00 H new ATOM 1113 N SER B1587 4.027 22.658 6.833 1.00 0.00 N ATOM 1114 CA SER B1587 3.620 23.662 5.854 1.00 0.00 C ATOM 1115 C SER B1587 2.097 23.753 5.734 1.00 0.00 C ATOM 1116 O SER B1587 1.574 24.512 4.917 1.00 0.00 O ATOM 1117 CB SER B1587 4.250 23.341 4.494 1.00 0.00 C ATOM 1118 OG SER B1587 4.069 24.397 3.564 1.00 0.00 O ATOM 0 H SER B1587 4.366 21.787 6.425 1.00 0.00 H new ATOM 0 HA SER B1587 3.974 24.634 6.197 1.00 0.00 H new ATOM 0 HB2 SER B1587 5.315 23.150 4.624 1.00 0.00 H new ATOM 0 HB3 SER B1587 3.809 22.427 4.096 1.00 0.00 H new ATOM 0 HG SER B1587 4.616 24.230 2.768 1.00 0.00 H new ATOM 1124 N SER B1588 1.398 22.992 6.576 1.00 0.00 N ATOM 1125 CA SER B1588 -0.057 22.879 6.522 1.00 0.00 C ATOM 1126 C SER B1588 -0.487 22.174 5.249 1.00 0.00 C ATOM 1127 O SER B1588 0.234 22.157 4.251 1.00 0.00 O ATOM 1128 CB SER B1588 -0.733 24.249 6.593 1.00 0.00 C ATOM 1129 OG SER B1588 -0.312 24.972 7.737 1.00 0.00 O ATOM 0 H SER B1588 1.827 22.436 7.316 1.00 0.00 H new ATOM 0 HA SER B1588 -0.368 22.296 7.389 1.00 0.00 H new ATOM 0 HB2 SER B1588 -0.500 24.819 5.694 1.00 0.00 H new ATOM 0 HB3 SER B1588 -1.815 24.122 6.618 1.00 0.00 H new ATOM 0 HG SER B1588 -0.759 25.844 7.756 1.00 0.00 H new ATOM 1135 N ARG B1589 -1.653 21.572 5.287 1.00 0.00 N ATOM 1136 CA ARG B1589 -2.189 20.938 4.106 1.00 0.00 C ATOM 1137 C ARG B1589 -2.942 21.969 3.311 1.00 0.00 C ATOM 1138 O ARG B1589 -3.766 22.707 3.851 1.00 0.00 O ATOM 1139 CB ARG B1589 -3.110 19.785 4.464 1.00 0.00 C ATOM 1140 CG ARG B1589 -2.775 19.151 5.789 1.00 0.00 C ATOM 1141 CD ARG B1589 -3.407 17.790 5.918 1.00 0.00 C ATOM 1142 NE ARG B1589 -3.580 17.398 7.309 1.00 0.00 N ATOM 1143 CZ ARG B1589 -4.621 16.708 7.757 1.00 0.00 C ATOM 1144 NH1 ARG B1589 -5.579 16.321 6.927 1.00 0.00 N ATOM 1145 NH2 ARG B1589 -4.692 16.400 9.039 1.00 0.00 N ATOM 0 H ARG B1589 -2.244 21.508 6.116 1.00 0.00 H new ATOM 0 HA ARG B1589 -1.366 20.530 3.519 1.00 0.00 H new ATOM 0 HB2 ARG B1589 -4.139 20.144 4.489 1.00 0.00 H new ATOM 0 HB3 ARG B1589 -3.056 19.028 3.682 1.00 0.00 H new ATOM 0 HG2 ARG B1589 -1.693 19.063 5.890 1.00 0.00 H new ATOM 0 HG3 ARG B1589 -3.120 19.793 6.600 1.00 0.00 H new ATOM 0 HD2 ARG B1589 -4.376 17.792 5.419 1.00 0.00 H new ATOM 0 HD3 ARG B1589 -2.787 17.053 5.408 1.00 0.00 H new ATOM 0 HE ARG B1589 -2.859 17.669 7.978 1.00 0.00 H new ATOM 0 HH11 ARG B1589 -5.519 16.553 5.936 1.00 0.00 H new ATOM 0 HH12 ARG B1589 -6.376 15.791 7.280 1.00 0.00 H new ATOM 0 HH21 ARG B1589 -3.951 16.692 9.676 1.00 0.00 H new ATOM 0 HH22 ARG B1589 -5.488 15.870 9.393 1.00 0.00 H new ATOM 1159 N LYS B1590 -2.663 22.010 2.035 1.00 0.00 N ATOM 1160 CA LYS B1590 -3.236 23.018 1.163 1.00 0.00 C ATOM 1161 C LYS B1590 -4.680 22.641 0.854 1.00 0.00 C ATOM 1162 O LYS B1590 -5.467 23.454 0.369 1.00 0.00 O ATOM 1163 CB LYS B1590 -2.409 23.132 -0.120 1.00 0.00 C ATOM 1164 CG LYS B1590 -0.909 22.958 0.109 1.00 0.00 C ATOM 1165 CD LYS B1590 -0.327 24.016 1.029 1.00 0.00 C ATOM 1166 CE LYS B1590 1.139 23.731 1.329 1.00 0.00 C ATOM 1167 NZ LYS B1590 1.702 24.712 2.289 1.00 0.00 N ATOM 0 H LYS B1590 -2.038 21.354 1.567 1.00 0.00 H new ATOM 0 HA LYS B1590 -3.222 23.990 1.656 1.00 0.00 H new ATOM 0 HB2 LYS B1590 -2.750 22.380 -0.832 1.00 0.00 H new ATOM 0 HB3 LYS B1590 -2.589 24.106 -0.575 1.00 0.00 H new ATOM 0 HG2 LYS B1590 -0.723 21.972 0.534 1.00 0.00 H new ATOM 0 HG3 LYS B1590 -0.393 22.994 -0.851 1.00 0.00 H new ATOM 0 HD2 LYS B1590 -0.423 24.998 0.566 1.00 0.00 H new ATOM 0 HD3 LYS B1590 -0.893 24.045 1.960 1.00 0.00 H new ATOM 0 HE2 LYS B1590 1.238 22.725 1.736 1.00 0.00 H new ATOM 0 HE3 LYS B1590 1.712 23.758 0.402 1.00 0.00 H new ATOM 0 HZ1 LYS B1590 2.721 24.539 2.405 1.00 0.00 H new ATOM 0 HZ2 LYS B1590 1.553 25.676 1.928 1.00 0.00 H new ATOM 0 HZ3 LYS B1590 1.227 24.610 3.209 1.00 0.00 H new ATOM 1181 N ALA B1591 -5.010 21.389 1.159 1.00 0.00 N ATOM 1182 CA ALA B1591 -6.363 20.879 1.008 1.00 0.00 C ATOM 1183 C ALA B1591 -7.203 21.159 2.255 1.00 0.00 C ATOM 1184 O ALA B1591 -8.415 20.935 2.254 1.00 0.00 O ATOM 1185 CB ALA B1591 -6.328 19.386 0.716 1.00 0.00 C ATOM 0 H ALA B1591 -4.346 20.703 1.517 1.00 0.00 H new ATOM 0 HA ALA B1591 -6.830 21.395 0.169 1.00 0.00 H new ATOM 0 HB1 ALA B1591 -7.346 19.013 0.605 1.00 0.00 H new ATOM 0 HB2 ALA B1591 -5.774 19.208 -0.206 1.00 0.00 H new ATOM 0 HB3 ALA B1591 -5.839 18.866 1.540 1.00 0.00 H new