USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=19 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= -1.57! C(o=0.16!,f=-11!) USER MOD Set 1.2: B1592 LYS NZ :NH3+ 146:sc= 1.73 (180deg=-0.549) USER MOD Single : A1073 LYS NZ :NH3+ -178:sc= 0.0358 (180deg=0.0254) USER MOD Single : A1074 THR OG1 : rot 146:sc= 1.98 USER MOD Single : A1076 TYR OH : rot -34:sc= -1.79! USER MOD Single : A1078 CYS SG : rot 96:sc= -0.564 USER MOD Single : A1079 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A1087 THR OG1 : rot 180:sc= 0.588 USER MOD Single : A1097 THR OG1 : rot 180:sc= -1.91! USER MOD Single : A1102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1108 HIS : no HD1:sc= -0.0313 X(o=-0.031,f=-0.068) USER MOD Single : A1112 GLN : amide:sc= -0.983 X(o=-0.98,f=-0.65) USER MOD Single : A1116 LYS NZ :NH3+ -164:sc= -0.0524 (180deg=-0.331) USER MOD Single : A1122 SER OG : rot 180:sc= 0 USER MOD Single : A1125 HIS : no HD1:sc= 0 X(o=0,f=-0.0009) USER MOD Single : A1128 SER OG : rot 180:sc= 0 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 151:sc= -0.909 (180deg=-1.26) USER MOD Single : B1585 THR OG1 : rot 180:sc= 0 USER MOD Single : B1586 LYS NZ :NH3+ 158:sc= 1.25 (180deg=0.927) USER MOD Single : B1587 SER OG : rot 134:sc= 1.22 USER MOD Single : B1588 SER OG : rot 180:sc= 0 USER MOD Single : B1590 LYS NZ :NH3+ -166:sc= 2.39 (180deg=1.88) USER MOD Single : B1593 LYS NZ :NH3+ -171:sc= -0.0149 (180deg=-0.116) USER MOD Single : B1596 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A1069 2.234 -1.852 0.023 1.00 0.00 N ATOM 2 CA VAL A1069 1.979 -0.829 -1.014 1.00 0.00 C ATOM 3 C VAL A1069 3.089 0.226 -1.044 1.00 0.00 C ATOM 4 O VAL A1069 4.042 0.112 -1.817 1.00 0.00 O ATOM 5 CB VAL A1069 0.595 -0.157 -0.830 1.00 0.00 C ATOM 6 CG1 VAL A1069 -0.503 -1.042 -1.399 1.00 0.00 C ATOM 7 CG2 VAL A1069 0.310 0.144 0.637 1.00 0.00 C ATOM 0 HA VAL A1069 1.974 -1.346 -1.974 1.00 0.00 H new ATOM 0 HB VAL A1069 0.613 0.788 -1.372 1.00 0.00 H new ATOM 0 HG11 VAL A1069 -1.469 -0.556 -1.262 1.00 0.00 H new ATOM 0 HG12 VAL A1069 -0.325 -1.204 -2.462 1.00 0.00 H new ATOM 0 HG13 VAL A1069 -0.502 -2.001 -0.881 1.00 0.00 H new ATOM 0 HG21 VAL A1069 -0.669 0.615 0.728 1.00 0.00 H new ATOM 0 HG22 VAL A1069 0.321 -0.785 1.208 1.00 0.00 H new ATOM 0 HG23 VAL A1069 1.074 0.817 1.025 1.00 0.00 H new ATOM 19 N ARG A1070 2.979 1.236 -0.191 1.00 0.00 N ATOM 20 CA ARG A1070 3.952 2.314 -0.144 1.00 0.00 C ATOM 21 C ARG A1070 4.347 2.583 1.302 1.00 0.00 C ATOM 22 O ARG A1070 3.488 2.698 2.169 1.00 0.00 O ATOM 23 CB ARG A1070 3.352 3.580 -0.768 1.00 0.00 C ATOM 24 CG ARG A1070 4.355 4.702 -0.991 1.00 0.00 C ATOM 25 CD ARG A1070 3.665 5.990 -1.417 1.00 0.00 C ATOM 26 NE ARG A1070 2.831 5.819 -2.609 1.00 0.00 N ATOM 27 CZ ARG A1070 2.223 6.824 -3.243 1.00 0.00 C ATOM 28 NH1 ARG A1070 2.379 8.072 -2.820 1.00 0.00 N ATOM 29 NH2 ARG A1070 1.465 6.583 -4.302 1.00 0.00 N ATOM 0 H ARG A1070 2.218 1.329 0.482 1.00 0.00 H new ATOM 0 HA ARG A1070 4.839 2.026 -0.709 1.00 0.00 H new ATOM 0 HB2 ARG A1070 2.897 3.320 -1.724 1.00 0.00 H new ATOM 0 HB3 ARG A1070 2.553 3.945 -0.123 1.00 0.00 H new ATOM 0 HG2 ARG A1070 4.918 4.876 -0.074 1.00 0.00 H new ATOM 0 HG3 ARG A1070 5.073 4.403 -1.754 1.00 0.00 H new ATOM 0 HD2 ARG A1070 3.047 6.355 -0.596 1.00 0.00 H new ATOM 0 HD3 ARG A1070 4.418 6.753 -1.613 1.00 0.00 H new ATOM 0 HE ARG A1070 2.707 4.876 -2.977 1.00 0.00 H new ATOM 0 HH11 ARG A1070 2.965 8.266 -2.008 1.00 0.00 H new ATOM 0 HH12 ARG A1070 1.913 8.838 -3.307 1.00 0.00 H new ATOM 0 HH21 ARG A1070 1.344 5.627 -4.636 1.00 0.00 H new ATOM 0 HH22 ARG A1070 1.002 7.354 -4.784 1.00 0.00 H new ATOM 43 N ARG A1071 5.639 2.659 1.565 1.00 0.00 N ATOM 44 CA ARG A1071 6.119 2.948 2.909 1.00 0.00 C ATOM 45 C ARG A1071 6.810 4.303 2.970 1.00 0.00 C ATOM 46 O ARG A1071 7.383 4.766 1.984 1.00 0.00 O ATOM 47 CB ARG A1071 7.096 1.872 3.390 1.00 0.00 C ATOM 48 CG ARG A1071 6.442 0.567 3.806 1.00 0.00 C ATOM 49 CD ARG A1071 7.478 -0.402 4.345 1.00 0.00 C ATOM 50 NE ARG A1071 6.888 -1.632 4.865 1.00 0.00 N ATOM 51 CZ ARG A1071 7.056 -2.831 4.311 1.00 0.00 C ATOM 52 NH1 ARG A1071 7.740 -2.962 3.180 1.00 0.00 N ATOM 53 NH2 ARG A1071 6.536 -3.901 4.892 1.00 0.00 N ATOM 0 H ARG A1071 6.374 2.526 0.871 1.00 0.00 H new ATOM 0 HA ARG A1071 5.245 2.961 3.561 1.00 0.00 H new ATOM 0 HB2 ARG A1071 7.812 1.667 2.594 1.00 0.00 H new ATOM 0 HB3 ARG A1071 7.662 2.265 4.234 1.00 0.00 H new ATOM 0 HG2 ARG A1071 5.686 0.759 4.567 1.00 0.00 H new ATOM 0 HG3 ARG A1071 5.930 0.123 2.953 1.00 0.00 H new ATOM 0 HD2 ARG A1071 8.183 -0.650 3.552 1.00 0.00 H new ATOM 0 HD3 ARG A1071 8.047 0.085 5.137 1.00 0.00 H new ATOM 0 HE ARG A1071 6.312 -1.569 5.704 1.00 0.00 H new ATOM 0 HH11 ARG A1071 8.142 -2.140 2.729 1.00 0.00 H new ATOM 0 HH12 ARG A1071 7.864 -3.884 2.763 1.00 0.00 H new ATOM 0 HH21 ARG A1071 6.009 -3.805 5.760 1.00 0.00 H new ATOM 0 HH22 ARG A1071 6.662 -4.822 4.471 1.00 0.00 H new ATOM 67 N VAL A1072 6.733 4.937 4.131 1.00 0.00 N ATOM 68 CA VAL A1072 7.520 6.125 4.421 1.00 0.00 C ATOM 69 C VAL A1072 8.119 6.003 5.816 1.00 0.00 C ATOM 70 O VAL A1072 7.453 5.550 6.747 1.00 0.00 O ATOM 71 CB VAL A1072 6.697 7.436 4.329 1.00 0.00 C ATOM 72 CG1 VAL A1072 6.218 7.686 2.912 1.00 0.00 C ATOM 73 CG2 VAL A1072 5.518 7.408 5.282 1.00 0.00 C ATOM 0 H VAL A1072 6.125 4.643 4.896 1.00 0.00 H new ATOM 0 HA VAL A1072 8.302 6.184 3.664 1.00 0.00 H new ATOM 0 HB VAL A1072 7.356 8.255 4.618 1.00 0.00 H new ATOM 0 HG11 VAL A1072 5.644 8.612 2.880 1.00 0.00 H new ATOM 0 HG12 VAL A1072 7.077 7.768 2.247 1.00 0.00 H new ATOM 0 HG13 VAL A1072 5.588 6.857 2.589 1.00 0.00 H new ATOM 0 HG21 VAL A1072 4.959 8.340 5.196 1.00 0.00 H new ATOM 0 HG22 VAL A1072 4.868 6.570 5.032 1.00 0.00 H new ATOM 0 HG23 VAL A1072 5.879 7.294 6.304 1.00 0.00 H new ATOM 83 N LYS A1073 9.379 6.367 5.955 1.00 0.00 N ATOM 84 CA LYS A1073 10.030 6.326 7.254 1.00 0.00 C ATOM 85 C LYS A1073 10.163 7.738 7.773 1.00 0.00 C ATOM 86 O LYS A1073 10.538 8.646 7.030 1.00 0.00 O ATOM 87 CB LYS A1073 11.408 5.666 7.158 1.00 0.00 C ATOM 88 CG LYS A1073 11.770 4.808 8.366 1.00 0.00 C ATOM 89 CD LYS A1073 12.246 5.631 9.552 1.00 0.00 C ATOM 90 CE LYS A1073 13.606 6.255 9.294 1.00 0.00 C ATOM 91 NZ LYS A1073 14.185 6.843 10.528 1.00 0.00 N ATOM 0 H LYS A1073 9.971 6.693 5.191 1.00 0.00 H new ATOM 0 HA LYS A1073 9.426 5.731 7.939 1.00 0.00 H new ATOM 0 HB2 LYS A1073 11.441 5.046 6.262 1.00 0.00 H new ATOM 0 HB3 LYS A1073 12.164 6.442 7.037 1.00 0.00 H new ATOM 0 HG2 LYS A1073 10.901 4.221 8.662 1.00 0.00 H new ATOM 0 HG3 LYS A1073 12.550 4.101 8.083 1.00 0.00 H new ATOM 0 HD2 LYS A1073 11.520 6.416 9.765 1.00 0.00 H new ATOM 0 HD3 LYS A1073 12.299 4.997 10.437 1.00 0.00 H new ATOM 0 HE2 LYS A1073 14.284 5.499 8.899 1.00 0.00 H new ATOM 0 HE3 LYS A1073 13.512 7.029 8.532 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 15.098 7.289 10.305 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 13.534 7.559 10.910 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 14.329 6.094 11.235 1.00 0.00 H new ATOM 105 N THR A1074 9.837 7.926 9.030 1.00 0.00 N ATOM 106 CA THR A1074 9.881 9.238 9.618 1.00 0.00 C ATOM 107 C THR A1074 11.319 9.643 9.894 1.00 0.00 C ATOM 108 O THR A1074 12.040 8.976 10.645 1.00 0.00 O ATOM 109 CB THR A1074 9.056 9.285 10.912 1.00 0.00 C ATOM 110 OG1 THR A1074 9.634 8.418 11.880 1.00 0.00 O ATOM 111 CG2 THR A1074 7.626 8.845 10.652 1.00 0.00 C ATOM 0 H THR A1074 9.538 7.184 9.663 1.00 0.00 H new ATOM 0 HA THR A1074 9.446 9.944 8.911 1.00 0.00 H new ATOM 0 HB THR A1074 9.054 10.311 11.280 1.00 0.00 H new ATOM 0 HG1 THR A1074 9.515 8.801 12.774 1.00 0.00 H new ATOM 0 HG21 THR A1074 7.058 8.885 11.582 1.00 0.00 H new ATOM 0 HG22 THR A1074 7.169 9.509 9.918 1.00 0.00 H new ATOM 0 HG23 THR A1074 7.623 7.824 10.269 1.00 0.00 H new ATOM 119 N ILE A1075 11.739 10.718 9.251 1.00 0.00 N ATOM 120 CA ILE A1075 13.085 11.228 9.427 1.00 0.00 C ATOM 121 C ILE A1075 13.062 12.366 10.424 1.00 0.00 C ATOM 122 O ILE A1075 14.097 12.881 10.850 1.00 0.00 O ATOM 123 CB ILE A1075 13.687 11.709 8.094 1.00 0.00 C ATOM 124 CG1 ILE A1075 12.739 12.668 7.380 1.00 0.00 C ATOM 125 CG2 ILE A1075 14.008 10.527 7.200 1.00 0.00 C ATOM 126 CD1 ILE A1075 13.315 13.250 6.111 1.00 0.00 C ATOM 0 H ILE A1075 11.165 11.255 8.601 1.00 0.00 H new ATOM 0 HA ILE A1075 13.712 10.418 9.800 1.00 0.00 H new ATOM 0 HB ILE A1075 14.611 12.244 8.315 1.00 0.00 H new ATOM 0 HG12 ILE A1075 11.814 12.142 7.142 1.00 0.00 H new ATOM 0 HG13 ILE A1075 12.479 13.481 8.058 1.00 0.00 H new ATOM 0 HG21 ILE A1075 14.433 10.885 6.262 1.00 0.00 H new ATOM 0 HG22 ILE A1075 14.727 9.878 7.699 1.00 0.00 H new ATOM 0 HG23 ILE A1075 13.095 9.967 6.995 1.00 0.00 H new ATOM 0 HD11 ILE A1075 12.588 13.922 5.656 1.00 0.00 H new ATOM 0 HD12 ILE A1075 14.224 13.804 6.345 1.00 0.00 H new ATOM 0 HD13 ILE A1075 13.549 12.445 5.415 1.00 0.00 H new ATOM 138 N TYR A1076 11.849 12.739 10.774 1.00 0.00 N ATOM 139 CA TYR A1076 11.591 13.752 11.766 1.00 0.00 C ATOM 140 C TYR A1076 10.465 13.293 12.668 1.00 0.00 C ATOM 141 O TYR A1076 9.869 12.236 12.443 1.00 0.00 O ATOM 142 CB TYR A1076 11.172 15.058 11.099 1.00 0.00 C ATOM 143 CG TYR A1076 12.253 15.733 10.295 1.00 0.00 C ATOM 144 CD1 TYR A1076 13.173 16.549 10.921 1.00 0.00 C ATOM 145 CD2 TYR A1076 12.328 15.588 8.916 1.00 0.00 C ATOM 146 CE1 TYR A1076 14.150 17.203 10.196 1.00 0.00 C ATOM 147 CE2 TYR A1076 13.295 16.243 8.183 1.00 0.00 C ATOM 148 CZ TYR A1076 14.202 17.048 8.824 1.00 0.00 C ATOM 149 OH TYR A1076 15.158 17.716 8.090 1.00 0.00 O ATOM 0 H TYR A1076 11.003 12.338 10.368 1.00 0.00 H new ATOM 0 HA TYR A1076 12.502 13.915 12.341 1.00 0.00 H new ATOM 0 HB2 TYR A1076 10.323 14.859 10.445 1.00 0.00 H new ATOM 0 HB3 TYR A1076 10.827 15.748 11.869 1.00 0.00 H new ATOM 0 HD1 TYR A1076 13.129 16.678 11.992 1.00 0.00 H new ATOM 0 HD2 TYR A1076 11.617 14.952 8.409 1.00 0.00 H new ATOM 0 HE1 TYR A1076 14.869 17.832 10.699 1.00 0.00 H new ATOM 0 HE2 TYR A1076 13.338 16.123 7.111 1.00 0.00 H new ATOM 0 HH TYR A1076 15.341 18.585 8.505 1.00 0.00 H new ATOM 159 N ASP A1077 10.166 14.090 13.674 1.00 0.00 N ATOM 160 CA ASP A1077 9.021 13.829 14.519 1.00 0.00 C ATOM 161 C ASP A1077 8.022 14.958 14.344 1.00 0.00 C ATOM 162 O ASP A1077 8.382 16.134 14.373 1.00 0.00 O ATOM 163 CB ASP A1077 9.420 13.655 15.995 1.00 0.00 C ATOM 164 CG ASP A1077 9.812 14.949 16.685 1.00 0.00 C ATOM 165 OD1 ASP A1077 10.979 15.373 16.540 1.00 0.00 O ATOM 166 OD2 ASP A1077 8.964 15.525 17.400 1.00 0.00 O ATOM 0 H ASP A1077 10.700 14.922 13.925 1.00 0.00 H new ATOM 0 HA ASP A1077 8.565 12.886 14.217 1.00 0.00 H new ATOM 0 HB2 ASP A1077 8.587 13.205 16.535 1.00 0.00 H new ATOM 0 HB3 ASP A1077 10.254 12.956 16.055 1.00 0.00 H new ATOM 171 N CYS A1078 6.780 14.599 14.124 1.00 0.00 N ATOM 172 CA CYS A1078 5.756 15.577 13.837 1.00 0.00 C ATOM 173 C CYS A1078 4.488 15.214 14.560 1.00 0.00 C ATOM 174 O CYS A1078 4.187 14.039 14.763 1.00 0.00 O ATOM 175 CB CYS A1078 5.477 15.663 12.338 1.00 0.00 C ATOM 176 SG CYS A1078 4.381 17.026 11.870 1.00 0.00 S ATOM 0 H CYS A1078 6.452 13.633 14.138 1.00 0.00 H new ATOM 0 HA CYS A1078 6.113 16.549 14.178 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.423 15.773 11.808 1.00 0.00 H new ATOM 0 HB3 CYS A1078 5.034 14.724 12.007 1.00 0.00 H new ATOM 0 HG CYS A1078 5.094 18.048 11.499 1.00 0.00 H new ATOM 182 N GLN A1079 3.748 16.220 14.941 1.00 0.00 N ATOM 183 CA GLN A1079 2.504 15.986 15.645 1.00 0.00 C ATOM 184 C GLN A1079 1.324 16.550 14.886 1.00 0.00 C ATOM 185 O GLN A1079 1.464 17.463 14.069 1.00 0.00 O ATOM 186 CB GLN A1079 2.558 16.541 17.058 1.00 0.00 C ATOM 187 CG GLN A1079 3.562 15.816 17.925 1.00 0.00 C ATOM 188 CD GLN A1079 3.469 16.188 19.389 1.00 0.00 C ATOM 189 OE1 GLN A1079 3.096 17.306 19.739 1.00 0.00 O ATOM 190 NE2 GLN A1079 3.807 15.248 20.254 1.00 0.00 N ATOM 0 H GLN A1079 3.976 17.201 14.781 1.00 0.00 H new ATOM 0 HA GLN A1079 2.367 14.907 15.714 1.00 0.00 H new ATOM 0 HB2 GLN A1079 2.813 17.600 17.020 1.00 0.00 H new ATOM 0 HB3 GLN A1079 1.570 16.467 17.512 1.00 0.00 H new ATOM 0 HG2 GLN A1079 3.413 14.741 17.820 1.00 0.00 H new ATOM 0 HG3 GLN A1079 4.567 16.035 17.565 1.00 0.00 H new ATOM 0 HE21 GLN A1079 4.111 14.333 19.920 1.00 0.00 H new ATOM 0 HE22 GLN A1079 3.764 15.437 21.255 1.00 0.00 H new ATOM 199 N ALA A1080 0.166 15.974 15.162 1.00 0.00 N ATOM 200 CA ALA A1080 -1.046 16.288 14.440 1.00 0.00 C ATOM 201 C ALA A1080 -1.422 17.760 14.557 1.00 0.00 C ATOM 202 O ALA A1080 -1.496 18.315 15.652 1.00 0.00 O ATOM 203 CB ALA A1080 -2.190 15.413 14.927 1.00 0.00 C ATOM 0 H ALA A1080 0.044 15.275 15.895 1.00 0.00 H new ATOM 0 HA ALA A1080 -0.857 16.084 13.386 1.00 0.00 H new ATOM 0 HB1 ALA A1080 -3.097 15.660 14.375 1.00 0.00 H new ATOM 0 HB2 ALA A1080 -1.940 14.364 14.765 1.00 0.00 H new ATOM 0 HB3 ALA A1080 -2.354 15.587 15.991 1.00 0.00 H new ATOM 209 N ASP A1081 -1.657 18.373 13.406 1.00 0.00 N ATOM 210 CA ASP A1081 -2.073 19.772 13.331 1.00 0.00 C ATOM 211 C ASP A1081 -3.546 19.895 13.675 1.00 0.00 C ATOM 212 O ASP A1081 -4.024 20.945 14.102 1.00 0.00 O ATOM 213 CB ASP A1081 -1.847 20.305 11.915 1.00 0.00 C ATOM 214 CG ASP A1081 -2.130 21.787 11.791 1.00 0.00 C ATOM 215 OD1 ASP A1081 -1.397 22.589 12.402 1.00 0.00 O ATOM 216 OD2 ASP A1081 -3.068 22.158 11.059 1.00 0.00 O ATOM 0 H ASP A1081 -1.566 17.918 12.497 1.00 0.00 H new ATOM 0 HA ASP A1081 -1.483 20.351 14.041 1.00 0.00 H new ATOM 0 HB2 ASP A1081 -0.816 20.111 11.620 1.00 0.00 H new ATOM 0 HB3 ASP A1081 -2.485 19.759 11.221 1.00 0.00 H new ATOM 221 N ASN A1082 -4.250 18.797 13.489 1.00 0.00 N ATOM 222 CA ASN A1082 -5.688 18.762 13.635 1.00 0.00 C ATOM 223 C ASN A1082 -6.108 17.363 14.080 1.00 0.00 C ATOM 224 O ASN A1082 -5.250 16.516 14.320 1.00 0.00 O ATOM 225 CB ASN A1082 -6.353 19.127 12.301 1.00 0.00 C ATOM 226 CG ASN A1082 -7.786 19.582 12.465 1.00 0.00 C ATOM 227 OD1 ASN A1082 -8.648 19.268 11.645 1.00 0.00 O ATOM 228 ND2 ASN A1082 -8.038 20.368 13.496 1.00 0.00 N ATOM 0 H ASN A1082 -3.837 17.901 13.231 1.00 0.00 H new ATOM 0 HA ASN A1082 -6.005 19.486 14.386 1.00 0.00 H new ATOM 0 HB2 ASN A1082 -5.779 19.918 11.818 1.00 0.00 H new ATOM 0 HB3 ASN A1082 -6.325 18.262 11.638 1.00 0.00 H new ATOM 0 HD21 ASN A1082 -8.977 20.740 13.636 1.00 0.00 H new ATOM 0 HD22 ASN A1082 -7.293 20.603 14.152 1.00 0.00 H new ATOM 235 N ASP A1083 -7.401 17.107 14.169 1.00 0.00 N ATOM 236 CA ASP A1083 -7.885 15.823 14.673 1.00 0.00 C ATOM 237 C ASP A1083 -7.591 14.672 13.714 1.00 0.00 C ATOM 238 O ASP A1083 -7.231 13.576 14.145 1.00 0.00 O ATOM 239 CB ASP A1083 -9.389 15.883 14.958 1.00 0.00 C ATOM 240 CG ASP A1083 -9.716 16.673 16.205 1.00 0.00 C ATOM 241 OD1 ASP A1083 -9.590 16.116 17.315 1.00 0.00 O ATOM 242 OD2 ASP A1083 -10.104 17.855 16.083 1.00 0.00 O ATOM 0 H ASP A1083 -8.135 17.763 13.902 1.00 0.00 H new ATOM 0 HA ASP A1083 -7.345 15.630 15.600 1.00 0.00 H new ATOM 0 HB2 ASP A1083 -9.899 16.331 14.105 1.00 0.00 H new ATOM 0 HB3 ASP A1083 -9.775 14.869 15.063 1.00 0.00 H new ATOM 247 N ASP A1084 -7.726 14.920 12.418 1.00 0.00 N ATOM 248 CA ASP A1084 -7.648 13.843 11.430 1.00 0.00 C ATOM 249 C ASP A1084 -6.242 13.684 10.852 1.00 0.00 C ATOM 250 O ASP A1084 -6.062 13.037 9.819 1.00 0.00 O ATOM 251 CB ASP A1084 -8.666 14.067 10.303 1.00 0.00 C ATOM 252 CG ASP A1084 -8.446 15.362 9.545 1.00 0.00 C ATOM 253 OD1 ASP A1084 -8.741 16.439 10.106 1.00 0.00 O ATOM 254 OD2 ASP A1084 -7.989 15.312 8.382 1.00 0.00 O ATOM 0 H ASP A1084 -7.889 15.847 12.025 1.00 0.00 H new ATOM 0 HA ASP A1084 -7.890 12.917 11.951 1.00 0.00 H new ATOM 0 HB2 ASP A1084 -8.614 13.232 9.604 1.00 0.00 H new ATOM 0 HB3 ASP A1084 -9.671 14.067 10.725 1.00 0.00 H new ATOM 259 N GLU A1085 -5.240 14.243 11.524 1.00 0.00 N ATOM 260 CA GLU A1085 -3.855 14.079 11.083 1.00 0.00 C ATOM 261 C GLU A1085 -3.253 12.834 11.726 1.00 0.00 C ATOM 262 O GLU A1085 -3.949 12.073 12.402 1.00 0.00 O ATOM 263 CB GLU A1085 -2.986 15.286 11.452 1.00 0.00 C ATOM 264 CG GLU A1085 -3.666 16.635 11.323 1.00 0.00 C ATOM 265 CD GLU A1085 -4.283 16.898 9.971 1.00 0.00 C ATOM 266 OE1 GLU A1085 -3.568 16.864 8.952 1.00 0.00 O ATOM 267 OE2 GLU A1085 -5.498 17.158 9.932 1.00 0.00 O ATOM 0 H GLU A1085 -5.356 14.807 12.366 1.00 0.00 H new ATOM 0 HA GLU A1085 -3.872 13.985 9.997 1.00 0.00 H new ATOM 0 HB2 GLU A1085 -2.644 15.166 12.480 1.00 0.00 H new ATOM 0 HB3 GLU A1085 -2.099 15.282 10.818 1.00 0.00 H new ATOM 0 HG2 GLU A1085 -4.443 16.710 12.084 1.00 0.00 H new ATOM 0 HG3 GLU A1085 -2.937 17.417 11.534 1.00 0.00 H new ATOM 274 N LEU A1086 -1.961 12.633 11.517 1.00 0.00 N ATOM 275 CA LEU A1086 -1.256 11.507 12.111 1.00 0.00 C ATOM 276 C LEU A1086 0.052 11.966 12.751 1.00 0.00 C ATOM 277 O LEU A1086 0.936 12.497 12.079 1.00 0.00 O ATOM 278 CB LEU A1086 -0.993 10.425 11.052 1.00 0.00 C ATOM 279 CG LEU A1086 -0.311 9.146 11.555 1.00 0.00 C ATOM 280 CD1 LEU A1086 -0.880 7.927 10.852 1.00 0.00 C ATOM 281 CD2 LEU A1086 1.189 9.207 11.327 1.00 0.00 C ATOM 0 H LEU A1086 -1.377 13.237 10.938 1.00 0.00 H new ATOM 0 HA LEU A1086 -1.883 11.080 12.894 1.00 0.00 H new ATOM 0 HB2 LEU A1086 -1.945 10.151 10.597 1.00 0.00 H new ATOM 0 HB3 LEU A1086 -0.375 10.857 10.265 1.00 0.00 H new ATOM 0 HG LEU A1086 -0.503 9.066 12.625 1.00 0.00 H new ATOM 0 HD11 LEU A1086 -0.384 7.029 11.222 1.00 0.00 H new ATOM 0 HD12 LEU A1086 -1.950 7.859 11.051 1.00 0.00 H new ATOM 0 HD13 LEU A1086 -0.715 8.016 9.778 1.00 0.00 H new ATOM 0 HD21 LEU A1086 1.650 8.289 11.692 1.00 0.00 H new ATOM 0 HD22 LEU A1086 1.391 9.316 10.261 1.00 0.00 H new ATOM 0 HD23 LEU A1086 1.604 10.060 11.864 1.00 0.00 H new ATOM 293 N THR A1087 0.151 11.768 14.058 1.00 0.00 N ATOM 294 CA THR A1087 1.358 12.094 14.803 1.00 0.00 C ATOM 295 C THR A1087 2.390 10.974 14.665 1.00 0.00 C ATOM 296 O THR A1087 2.044 9.793 14.746 1.00 0.00 O ATOM 297 CB THR A1087 1.023 12.310 16.295 1.00 0.00 C ATOM 298 OG1 THR A1087 0.096 13.396 16.434 1.00 0.00 O ATOM 299 CG2 THR A1087 2.275 12.597 17.109 1.00 0.00 C ATOM 0 H THR A1087 -0.599 11.379 14.629 1.00 0.00 H new ATOM 0 HA THR A1087 1.776 13.013 14.393 1.00 0.00 H new ATOM 0 HB THR A1087 0.574 11.392 16.675 1.00 0.00 H new ATOM 0 HG1 THR A1087 -0.114 13.527 17.382 1.00 0.00 H new ATOM 0 HG21 THR A1087 2.004 12.744 18.154 1.00 0.00 H new ATOM 0 HG22 THR A1087 2.963 11.755 17.028 1.00 0.00 H new ATOM 0 HG23 THR A1087 2.757 13.498 16.729 1.00 0.00 H new ATOM 307 N PHE A1088 3.650 11.341 14.454 1.00 0.00 N ATOM 308 CA PHE A1088 4.714 10.350 14.305 1.00 0.00 C ATOM 309 C PHE A1088 6.034 10.881 14.852 1.00 0.00 C ATOM 310 O PHE A1088 6.249 12.088 14.903 1.00 0.00 O ATOM 311 CB PHE A1088 4.878 9.933 12.834 1.00 0.00 C ATOM 312 CG PHE A1088 5.143 11.068 11.872 1.00 0.00 C ATOM 313 CD1 PHE A1088 6.393 11.669 11.803 1.00 0.00 C ATOM 314 CD2 PHE A1088 4.145 11.525 11.027 1.00 0.00 C ATOM 315 CE1 PHE A1088 6.636 12.697 10.916 1.00 0.00 C ATOM 316 CE2 PHE A1088 4.385 12.553 10.139 1.00 0.00 C ATOM 317 CZ PHE A1088 5.630 13.139 10.081 1.00 0.00 C ATOM 0 H PHE A1088 3.960 12.310 14.382 1.00 0.00 H new ATOM 0 HA PHE A1088 4.429 9.471 14.882 1.00 0.00 H new ATOM 0 HB2 PHE A1088 5.699 9.219 12.764 1.00 0.00 H new ATOM 0 HB3 PHE A1088 3.974 9.412 12.517 1.00 0.00 H new ATOM 0 HD1 PHE A1088 7.185 11.327 12.452 1.00 0.00 H new ATOM 0 HD2 PHE A1088 3.166 11.070 11.064 1.00 0.00 H new ATOM 0 HE1 PHE A1088 7.613 13.156 10.875 1.00 0.00 H new ATOM 0 HE2 PHE A1088 3.595 12.899 9.488 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.819 13.942 9.384 1.00 0.00 H new ATOM 327 N ILE A1089 6.919 9.982 15.257 1.00 0.00 N ATOM 328 CA ILE A1089 8.217 10.387 15.790 1.00 0.00 C ATOM 329 C ILE A1089 9.339 9.774 14.965 1.00 0.00 C ATOM 330 O ILE A1089 9.142 8.743 14.330 1.00 0.00 O ATOM 331 CB ILE A1089 8.400 10.004 17.285 1.00 0.00 C ATOM 332 CG1 ILE A1089 8.628 8.492 17.477 1.00 0.00 C ATOM 333 CG2 ILE A1089 7.198 10.470 18.092 1.00 0.00 C ATOM 334 CD1 ILE A1089 7.471 7.615 17.041 1.00 0.00 C ATOM 0 H ILE A1089 6.767 8.974 15.228 1.00 0.00 H new ATOM 0 HA ILE A1089 8.256 11.474 15.726 1.00 0.00 H new ATOM 0 HB ILE A1089 9.296 10.509 17.647 1.00 0.00 H new ATOM 0 HG12 ILE A1089 9.518 8.199 16.920 1.00 0.00 H new ATOM 0 HG13 ILE A1089 8.834 8.301 18.530 1.00 0.00 H new ATOM 0 HG21 ILE A1089 7.335 10.197 19.139 1.00 0.00 H new ATOM 0 HG22 ILE A1089 7.101 11.552 18.009 1.00 0.00 H new ATOM 0 HG23 ILE A1089 6.295 9.994 17.708 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.722 6.569 17.214 1.00 0.00 H new ATOM 0 HD12 ILE A1089 6.582 7.874 17.615 1.00 0.00 H new ATOM 0 HD13 ILE A1089 7.276 7.771 15.980 1.00 0.00 H new ATOM 346 N GLU A1090 10.500 10.420 14.967 1.00 0.00 N ATOM 347 CA GLU A1090 11.644 9.975 14.171 1.00 0.00 C ATOM 348 C GLU A1090 11.992 8.520 14.486 1.00 0.00 C ATOM 349 O GLU A1090 12.215 8.161 15.644 1.00 0.00 O ATOM 350 CB GLU A1090 12.844 10.884 14.457 1.00 0.00 C ATOM 351 CG GLU A1090 13.934 10.848 13.397 1.00 0.00 C ATOM 352 CD GLU A1090 14.735 9.562 13.384 1.00 0.00 C ATOM 353 OE1 GLU A1090 15.535 9.341 14.318 1.00 0.00 O ATOM 354 OE2 GLU A1090 14.595 8.779 12.425 1.00 0.00 O ATOM 0 H GLU A1090 10.677 11.262 15.516 1.00 0.00 H new ATOM 0 HA GLU A1090 11.386 10.036 13.114 1.00 0.00 H new ATOM 0 HB2 GLU A1090 12.490 11.910 14.560 1.00 0.00 H new ATOM 0 HB3 GLU A1090 13.278 10.599 15.415 1.00 0.00 H new ATOM 0 HG2 GLU A1090 13.479 10.991 12.417 1.00 0.00 H new ATOM 0 HG3 GLU A1090 14.612 11.686 13.559 1.00 0.00 H new ATOM 361 N GLY A1091 12.025 7.686 13.452 1.00 0.00 N ATOM 362 CA GLY A1091 12.325 6.282 13.644 1.00 0.00 C ATOM 363 C GLY A1091 11.104 5.417 13.443 1.00 0.00 C ATOM 364 O GLY A1091 11.168 4.193 13.548 1.00 0.00 O ATOM 0 H GLY A1091 11.849 7.959 12.485 1.00 0.00 H new ATOM 0 HA2 GLY A1091 13.105 5.978 12.946 1.00 0.00 H new ATOM 0 HA3 GLY A1091 12.718 6.128 14.649 1.00 0.00 H new ATOM 368 N GLU A1092 9.992 6.064 13.156 1.00 0.00 N ATOM 369 CA GLU A1092 8.727 5.383 12.967 1.00 0.00 C ATOM 370 C GLU A1092 8.516 5.071 11.488 1.00 0.00 C ATOM 371 O GLU A1092 9.151 5.671 10.616 1.00 0.00 O ATOM 372 CB GLU A1092 7.589 6.253 13.499 1.00 0.00 C ATOM 373 CG GLU A1092 6.317 5.496 13.824 1.00 0.00 C ATOM 374 CD GLU A1092 6.569 4.283 14.690 1.00 0.00 C ATOM 375 OE1 GLU A1092 6.551 4.414 15.931 1.00 0.00 O ATOM 376 OE2 GLU A1092 6.781 3.187 14.132 1.00 0.00 O ATOM 0 H GLU A1092 9.940 7.077 13.047 1.00 0.00 H new ATOM 0 HA GLU A1092 8.738 4.443 13.519 1.00 0.00 H new ATOM 0 HB2 GLU A1092 7.931 6.766 14.398 1.00 0.00 H new ATOM 0 HB3 GLU A1092 7.361 7.022 12.761 1.00 0.00 H new ATOM 0 HG2 GLU A1092 5.621 6.163 14.333 1.00 0.00 H new ATOM 0 HG3 GLU A1092 5.838 5.183 12.897 1.00 0.00 H new ATOM 383 N VAL A1093 7.622 4.142 11.214 1.00 0.00 N ATOM 384 CA VAL A1093 7.378 3.678 9.854 1.00 0.00 C ATOM 385 C VAL A1093 5.895 3.774 9.535 1.00 0.00 C ATOM 386 O VAL A1093 5.058 3.259 10.277 1.00 0.00 O ATOM 387 CB VAL A1093 7.849 2.221 9.646 1.00 0.00 C ATOM 388 CG1 VAL A1093 7.570 1.758 8.222 1.00 0.00 C ATOM 389 CG2 VAL A1093 9.329 2.079 9.965 1.00 0.00 C ATOM 0 H VAL A1093 7.044 3.687 11.921 1.00 0.00 H new ATOM 0 HA VAL A1093 7.952 4.318 9.183 1.00 0.00 H new ATOM 0 HB VAL A1093 7.286 1.588 10.331 1.00 0.00 H new ATOM 0 HG11 VAL A1093 7.910 0.730 8.100 1.00 0.00 H new ATOM 0 HG12 VAL A1093 6.499 1.811 8.025 1.00 0.00 H new ATOM 0 HG13 VAL A1093 8.100 2.401 7.520 1.00 0.00 H new ATOM 0 HG21 VAL A1093 9.637 1.045 9.811 1.00 0.00 H new ATOM 0 HG22 VAL A1093 9.907 2.731 9.310 1.00 0.00 H new ATOM 0 HG23 VAL A1093 9.506 2.359 11.003 1.00 0.00 H new ATOM 399 N ILE A1094 5.570 4.442 8.444 1.00 0.00 N ATOM 400 CA ILE A1094 4.181 4.641 8.079 1.00 0.00 C ATOM 401 C ILE A1094 3.865 3.955 6.758 1.00 0.00 C ATOM 402 O ILE A1094 4.602 4.092 5.779 1.00 0.00 O ATOM 403 CB ILE A1094 3.828 6.139 7.963 1.00 0.00 C ATOM 404 CG1 ILE A1094 4.428 6.929 9.129 1.00 0.00 C ATOM 405 CG2 ILE A1094 2.317 6.316 7.928 1.00 0.00 C ATOM 406 CD1 ILE A1094 4.209 8.422 9.025 1.00 0.00 C ATOM 0 H ILE A1094 6.245 4.854 7.799 1.00 0.00 H new ATOM 0 HA ILE A1094 3.581 4.201 8.875 1.00 0.00 H new ATOM 0 HB ILE A1094 4.252 6.524 7.036 1.00 0.00 H new ATOM 0 HG12 ILE A1094 3.993 6.570 10.062 1.00 0.00 H new ATOM 0 HG13 ILE A1094 5.498 6.730 9.179 1.00 0.00 H new ATOM 0 HG21 ILE A1094 2.077 7.376 7.846 1.00 0.00 H new ATOM 0 HG22 ILE A1094 1.908 5.784 7.069 1.00 0.00 H new ATOM 0 HG23 ILE A1094 1.882 5.915 8.844 1.00 0.00 H new ATOM 0 HD11 ILE A1094 4.661 8.917 9.885 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.669 8.794 8.109 1.00 0.00 H new ATOM 0 HD13 ILE A1094 3.140 8.632 9.006 1.00 0.00 H new ATOM 418 N ILE A1095 2.780 3.202 6.745 1.00 0.00 N ATOM 419 CA ILE A1095 2.284 2.589 5.527 1.00 0.00 C ATOM 420 C ILE A1095 1.321 3.550 4.845 1.00 0.00 C ATOM 421 O ILE A1095 0.252 3.843 5.382 1.00 0.00 O ATOM 422 CB ILE A1095 1.549 1.262 5.815 1.00 0.00 C ATOM 423 CG1 ILE A1095 2.433 0.321 6.637 1.00 0.00 C ATOM 424 CG2 ILE A1095 1.121 0.592 4.514 1.00 0.00 C ATOM 425 CD1 ILE A1095 3.748 -0.025 5.975 1.00 0.00 C ATOM 0 H ILE A1095 2.221 2.999 7.574 1.00 0.00 H new ATOM 0 HA ILE A1095 3.137 2.373 4.884 1.00 0.00 H new ATOM 0 HB ILE A1095 0.655 1.487 6.397 1.00 0.00 H new ATOM 0 HG12 ILE A1095 2.635 0.782 7.604 1.00 0.00 H new ATOM 0 HG13 ILE A1095 1.883 -0.600 6.832 1.00 0.00 H new ATOM 0 HG21 ILE A1095 0.605 -0.342 4.738 1.00 0.00 H new ATOM 0 HG22 ILE A1095 0.451 1.255 3.967 1.00 0.00 H new ATOM 0 HG23 ILE A1095 2.001 0.383 3.906 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.315 -0.695 6.621 1.00 0.00 H new ATOM 0 HD12 ILE A1095 3.557 -0.516 5.021 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.321 0.887 5.805 1.00 0.00 H new ATOM 437 N VAL A1096 1.707 4.050 3.684 1.00 0.00 N ATOM 438 CA VAL A1096 0.904 5.026 2.960 1.00 0.00 C ATOM 439 C VAL A1096 -0.265 4.346 2.262 1.00 0.00 C ATOM 440 O VAL A1096 -0.083 3.592 1.305 1.00 0.00 O ATOM 441 CB VAL A1096 1.741 5.795 1.919 1.00 0.00 C ATOM 442 CG1 VAL A1096 0.907 6.880 1.247 1.00 0.00 C ATOM 443 CG2 VAL A1096 2.976 6.394 2.568 1.00 0.00 C ATOM 0 H VAL A1096 2.578 3.795 3.218 1.00 0.00 H new ATOM 0 HA VAL A1096 0.528 5.738 3.694 1.00 0.00 H new ATOM 0 HB VAL A1096 2.062 5.091 1.151 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.519 7.409 0.516 1.00 0.00 H new ATOM 0 HG12 VAL A1096 0.054 6.424 0.744 1.00 0.00 H new ATOM 0 HG13 VAL A1096 0.551 7.583 2.000 1.00 0.00 H new ATOM 0 HG21 VAL A1096 3.555 6.933 1.819 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.675 7.082 3.358 1.00 0.00 H new ATOM 0 HG23 VAL A1096 3.586 5.597 2.994 1.00 0.00 H new ATOM 453 N THR A1097 -1.459 4.621 2.752 1.00 0.00 N ATOM 454 CA THR A1097 -2.664 4.015 2.227 1.00 0.00 C ATOM 455 C THR A1097 -3.410 4.980 1.308 1.00 0.00 C ATOM 456 O THR A1097 -4.312 4.581 0.568 1.00 0.00 O ATOM 457 CB THR A1097 -3.583 3.567 3.378 1.00 0.00 C ATOM 458 OG1 THR A1097 -3.658 4.596 4.371 1.00 0.00 O ATOM 459 CG2 THR A1097 -3.067 2.286 4.015 1.00 0.00 C ATOM 0 H THR A1097 -1.619 5.269 3.523 1.00 0.00 H new ATOM 0 HA THR A1097 -2.373 3.142 1.642 1.00 0.00 H new ATOM 0 HB THR A1097 -4.576 3.379 2.969 1.00 0.00 H new ATOM 0 HG1 THR A1097 -4.245 4.305 5.100 1.00 0.00 H new ATOM 0 HG21 THR A1097 -3.733 1.989 4.826 1.00 0.00 H new ATOM 0 HG22 THR A1097 -3.033 1.495 3.266 1.00 0.00 H new ATOM 0 HG23 THR A1097 -2.066 2.454 4.411 1.00 0.00 H new ATOM 467 N GLY A1098 -3.024 6.251 1.348 1.00 0.00 N ATOM 468 CA GLY A1098 -3.661 7.242 0.509 1.00 0.00 C ATOM 469 C GLY A1098 -2.885 8.544 0.456 1.00 0.00 C ATOM 470 O GLY A1098 -1.803 8.658 1.029 1.00 0.00 O ATOM 0 H GLY A1098 -2.281 6.610 1.948 1.00 0.00 H new ATOM 0 HA2 GLY A1098 -3.767 6.845 -0.500 1.00 0.00 H new ATOM 0 HA3 GLY A1098 -4.666 7.437 0.882 1.00 0.00 H new ATOM 474 N GLU A1099 -3.448 9.523 -0.231 1.00 0.00 N ATOM 475 CA GLU A1099 -2.837 10.833 -0.401 1.00 0.00 C ATOM 476 C GLU A1099 -3.938 11.882 -0.441 1.00 0.00 C ATOM 477 O GLU A1099 -5.053 11.595 -0.879 1.00 0.00 O ATOM 478 CB GLU A1099 -2.034 10.887 -1.708 1.00 0.00 C ATOM 479 CG GLU A1099 -0.849 9.939 -1.746 1.00 0.00 C ATOM 480 CD GLU A1099 -0.180 9.891 -3.104 1.00 0.00 C ATOM 481 OE1 GLU A1099 0.734 10.701 -3.357 1.00 0.00 O ATOM 482 OE2 GLU A1099 -0.561 9.033 -3.926 1.00 0.00 O ATOM 0 H GLU A1099 -4.353 9.431 -0.692 1.00 0.00 H new ATOM 0 HA GLU A1099 -2.159 11.025 0.431 1.00 0.00 H new ATOM 0 HB2 GLU A1099 -2.699 10.655 -2.540 1.00 0.00 H new ATOM 0 HB3 GLU A1099 -1.676 11.905 -1.860 1.00 0.00 H new ATOM 0 HG2 GLU A1099 -0.119 10.247 -0.997 1.00 0.00 H new ATOM 0 HG3 GLU A1099 -1.182 8.937 -1.474 1.00 0.00 H new ATOM 489 N GLU A1100 -3.653 13.080 0.032 1.00 0.00 N ATOM 490 CA GLU A1100 -4.627 14.159 -0.071 1.00 0.00 C ATOM 491 C GLU A1100 -3.960 15.385 -0.658 1.00 0.00 C ATOM 492 O GLU A1100 -4.492 16.038 -1.555 1.00 0.00 O ATOM 493 CB GLU A1100 -5.241 14.492 1.291 1.00 0.00 C ATOM 494 CG GLU A1100 -6.435 15.427 1.183 1.00 0.00 C ATOM 495 CD GLU A1100 -6.906 15.948 2.520 1.00 0.00 C ATOM 496 OE1 GLU A1100 -7.768 15.303 3.151 1.00 0.00 O ATOM 497 OE2 GLU A1100 -6.416 17.010 2.948 1.00 0.00 O ATOM 0 H GLU A1100 -2.774 13.332 0.484 1.00 0.00 H new ATOM 0 HA GLU A1100 -5.435 13.832 -0.725 1.00 0.00 H new ATOM 0 HB2 GLU A1100 -5.551 13.569 1.781 1.00 0.00 H new ATOM 0 HB3 GLU A1100 -4.482 14.950 1.925 1.00 0.00 H new ATOM 0 HG2 GLU A1100 -6.171 16.270 0.544 1.00 0.00 H new ATOM 0 HG3 GLU A1100 -7.256 14.902 0.695 1.00 0.00 H new ATOM 504 N ASP A1101 -2.782 15.676 -0.148 1.00 0.00 N ATOM 505 CA ASP A1101 -1.972 16.767 -0.647 1.00 0.00 C ATOM 506 C ASP A1101 -0.709 16.181 -1.261 1.00 0.00 C ATOM 507 O ASP A1101 -0.510 14.966 -1.223 1.00 0.00 O ATOM 508 CB ASP A1101 -1.622 17.721 0.506 1.00 0.00 C ATOM 509 CG ASP A1101 -1.054 19.052 0.053 1.00 0.00 C ATOM 510 OD1 ASP A1101 0.176 19.147 -0.141 1.00 0.00 O ATOM 511 OD2 ASP A1101 -1.833 20.009 -0.097 1.00 0.00 O ATOM 0 H ASP A1101 -2.359 15.162 0.625 1.00 0.00 H new ATOM 0 HA ASP A1101 -2.516 17.333 -1.403 1.00 0.00 H new ATOM 0 HB2 ASP A1101 -2.519 17.903 1.099 1.00 0.00 H new ATOM 0 HB3 ASP A1101 -0.900 17.233 1.161 1.00 0.00 H new ATOM 516 N GLN A1102 0.133 17.017 -1.823 1.00 0.00 N ATOM 517 CA GLN A1102 1.429 16.574 -2.291 1.00 0.00 C ATOM 518 C GLN A1102 2.332 16.353 -1.094 1.00 0.00 C ATOM 519 O GLN A1102 3.132 15.415 -1.049 1.00 0.00 O ATOM 520 CB GLN A1102 2.047 17.612 -3.226 1.00 0.00 C ATOM 521 CG GLN A1102 3.549 17.459 -3.399 1.00 0.00 C ATOM 522 CD GLN A1102 4.095 18.351 -4.488 1.00 0.00 C ATOM 523 OE1 GLN A1102 4.498 19.484 -4.234 1.00 0.00 O ATOM 524 NE2 GLN A1102 4.109 17.846 -5.710 1.00 0.00 N ATOM 0 H GLN A1102 -0.055 18.009 -1.968 1.00 0.00 H new ATOM 0 HA GLN A1102 1.313 15.643 -2.846 1.00 0.00 H new ATOM 0 HB2 GLN A1102 1.568 17.540 -4.203 1.00 0.00 H new ATOM 0 HB3 GLN A1102 1.834 18.609 -2.840 1.00 0.00 H new ATOM 0 HG2 GLN A1102 4.046 17.693 -2.458 1.00 0.00 H new ATOM 0 HG3 GLN A1102 3.781 16.420 -3.633 1.00 0.00 H new ATOM 0 HE21 GLN A1102 3.764 16.900 -5.875 1.00 0.00 H new ATOM 0 HE22 GLN A1102 4.464 18.402 -6.488 1.00 0.00 H new ATOM 533 N GLU A1103 2.159 17.220 -0.114 1.00 0.00 N ATOM 534 CA GLU A1103 2.998 17.236 1.062 1.00 0.00 C ATOM 535 C GLU A1103 2.274 16.602 2.247 1.00 0.00 C ATOM 536 O GLU A1103 2.796 16.562 3.356 1.00 0.00 O ATOM 537 CB GLU A1103 3.362 18.681 1.380 1.00 0.00 C ATOM 538 CG GLU A1103 4.534 18.818 2.316 1.00 0.00 C ATOM 539 CD GLU A1103 4.619 20.200 2.919 1.00 0.00 C ATOM 540 OE1 GLU A1103 3.550 20.813 3.150 1.00 0.00 O ATOM 541 OE2 GLU A1103 5.746 20.672 3.180 1.00 0.00 O ATOM 0 H GLU A1103 1.430 17.933 -0.114 1.00 0.00 H new ATOM 0 HA GLU A1103 3.902 16.658 0.873 1.00 0.00 H new ATOM 0 HB2 GLU A1103 3.588 19.203 0.450 1.00 0.00 H new ATOM 0 HB3 GLU A1103 2.497 19.176 1.821 1.00 0.00 H new ATOM 0 HG2 GLU A1103 4.449 18.079 3.113 1.00 0.00 H new ATOM 0 HG3 GLU A1103 5.456 18.601 1.777 1.00 0.00 H new ATOM 548 N TRP A1104 1.069 16.114 2.012 1.00 0.00 N ATOM 549 CA TRP A1104 0.284 15.479 3.064 1.00 0.00 C ATOM 550 C TRP A1104 -0.370 14.199 2.557 1.00 0.00 C ATOM 551 O TRP A1104 -1.309 14.229 1.747 1.00 0.00 O ATOM 552 CB TRP A1104 -0.780 16.432 3.611 1.00 0.00 C ATOM 553 CG TRP A1104 -0.228 17.558 4.433 1.00 0.00 C ATOM 554 CD1 TRP A1104 0.310 18.722 3.972 1.00 0.00 C ATOM 555 CD2 TRP A1104 -0.187 17.638 5.863 1.00 0.00 C ATOM 556 NE1 TRP A1104 0.694 19.515 5.022 1.00 0.00 N ATOM 557 CE2 TRP A1104 0.395 18.876 6.195 1.00 0.00 C ATOM 558 CE3 TRP A1104 -0.586 16.784 6.896 1.00 0.00 C ATOM 559 CZ2 TRP A1104 0.583 19.281 7.512 1.00 0.00 C ATOM 560 CZ3 TRP A1104 -0.399 17.190 8.203 1.00 0.00 C ATOM 561 CH2 TRP A1104 0.180 18.430 8.499 1.00 0.00 C ATOM 0 H TRP A1104 0.609 16.144 1.102 1.00 0.00 H new ATOM 0 HA TRP A1104 0.967 15.224 3.875 1.00 0.00 H new ATOM 0 HB2 TRP A1104 -1.344 16.848 2.776 1.00 0.00 H new ATOM 0 HB3 TRP A1104 -1.484 15.863 4.219 1.00 0.00 H new ATOM 0 HD1 TRP A1104 0.418 18.982 2.929 1.00 0.00 H new ATOM 0 HE1 TRP A1104 1.132 20.433 4.942 1.00 0.00 H new ATOM 0 HE3 TRP A1104 -1.032 15.825 6.676 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 1.032 20.235 7.745 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 -0.704 16.540 9.010 1.00 0.00 H new ATOM 0 HH2 TRP A1104 0.310 18.719 9.531 1.00 0.00 H new ATOM 572 N TRP A1105 0.136 13.076 3.033 1.00 0.00 N ATOM 573 CA TRP A1105 -0.358 11.776 2.610 1.00 0.00 C ATOM 574 C TRP A1105 -1.115 11.109 3.736 1.00 0.00 C ATOM 575 O TRP A1105 -1.053 11.546 4.882 1.00 0.00 O ATOM 576 CB TRP A1105 0.795 10.882 2.148 1.00 0.00 C ATOM 577 CG TRP A1105 1.447 11.371 0.896 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.111 12.485 0.192 1.00 0.00 C ATOM 579 CD2 TRP A1105 2.540 10.771 0.202 1.00 0.00 C ATOM 580 NE1 TRP A1105 1.921 12.620 -0.898 1.00 0.00 N ATOM 581 CE2 TRP A1105 2.813 11.580 -0.919 1.00 0.00 C ATOM 582 CE3 TRP A1105 3.316 9.630 0.416 1.00 0.00 C ATOM 583 CZ2 TRP A1105 3.831 11.283 -1.817 1.00 0.00 C ATOM 584 CZ3 TRP A1105 4.325 9.338 -0.478 1.00 0.00 C ATOM 585 CH2 TRP A1105 4.575 10.161 -1.583 1.00 0.00 C ATOM 0 H TRP A1105 0.892 13.037 3.716 1.00 0.00 H new ATOM 0 HA TRP A1105 -1.036 11.926 1.770 1.00 0.00 H new ATOM 0 HB2 TRP A1105 1.541 10.822 2.940 1.00 0.00 H new ATOM 0 HB3 TRP A1105 0.421 9.871 1.985 1.00 0.00 H new ATOM 0 HD1 TRP A1105 0.316 13.166 0.458 1.00 0.00 H new ATOM 0 HE1 TRP A1105 1.871 13.372 -1.585 1.00 0.00 H new ATOM 0 HE3 TRP A1105 3.130 8.989 1.265 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 4.027 11.916 -2.669 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 4.933 8.459 -0.323 1.00 0.00 H new ATOM 0 HH2 TRP A1105 5.372 9.904 -2.264 1.00 0.00 H new ATOM 596 N ILE A1106 -1.815 10.047 3.407 1.00 0.00 N ATOM 597 CA ILE A1106 -2.624 9.341 4.374 1.00 0.00 C ATOM 598 C ILE A1106 -2.087 7.942 4.559 1.00 0.00 C ATOM 599 O ILE A1106 -1.731 7.269 3.592 1.00 0.00 O ATOM 600 CB ILE A1106 -4.092 9.249 3.925 1.00 0.00 C ATOM 601 CG1 ILE A1106 -4.634 10.638 3.595 1.00 0.00 C ATOM 602 CG2 ILE A1106 -4.937 8.587 5.006 1.00 0.00 C ATOM 603 CD1 ILE A1106 -5.988 10.605 2.934 1.00 0.00 C ATOM 0 H ILE A1106 -1.840 9.650 2.468 1.00 0.00 H new ATOM 0 HA ILE A1106 -2.580 9.897 5.311 1.00 0.00 H new ATOM 0 HB ILE A1106 -4.144 8.636 3.025 1.00 0.00 H new ATOM 0 HG12 ILE A1106 -4.699 11.223 4.512 1.00 0.00 H new ATOM 0 HG13 ILE A1106 -3.929 11.150 2.940 1.00 0.00 H new ATOM 0 HG21 ILE A1106 -5.973 8.529 4.673 1.00 0.00 H new ATOM 0 HG22 ILE A1106 -4.561 7.582 5.197 1.00 0.00 H new ATOM 0 HG23 ILE A1106 -4.882 9.175 5.922 1.00 0.00 H new ATOM 0 HD11 ILE A1106 -6.316 11.623 2.726 1.00 0.00 H new ATOM 0 HD12 ILE A1106 -5.923 10.047 2.000 1.00 0.00 H new ATOM 0 HD13 ILE A1106 -6.705 10.121 3.597 1.00 0.00 H new ATOM 615 N GLY A1107 -2.008 7.510 5.793 1.00 0.00 N ATOM 616 CA GLY A1107 -1.532 6.181 6.054 1.00 0.00 C ATOM 617 C GLY A1107 -1.674 5.795 7.498 1.00 0.00 C ATOM 618 O GLY A1107 -2.414 6.430 8.246 1.00 0.00 O ATOM 0 H GLY A1107 -2.263 8.052 6.619 1.00 0.00 H new ATOM 0 HA2 GLY A1107 -2.083 5.473 5.436 1.00 0.00 H new ATOM 0 HA3 GLY A1107 -0.484 6.110 5.763 1.00 0.00 H new ATOM 622 N HIS A1108 -0.954 4.760 7.890 1.00 0.00 N ATOM 623 CA HIS A1108 -1.028 4.244 9.246 1.00 0.00 C ATOM 624 C HIS A1108 0.321 3.679 9.656 1.00 0.00 C ATOM 625 O HIS A1108 1.026 3.097 8.833 1.00 0.00 O ATOM 626 CB HIS A1108 -2.123 3.167 9.361 1.00 0.00 C ATOM 627 CG HIS A1108 -1.881 1.922 8.552 1.00 0.00 C ATOM 628 ND1 HIS A1108 -2.432 1.709 7.308 1.00 0.00 N ATOM 629 CD2 HIS A1108 -1.167 0.806 8.834 1.00 0.00 C ATOM 630 CE1 HIS A1108 -2.068 0.518 6.865 1.00 0.00 C ATOM 631 NE2 HIS A1108 -1.300 -0.048 7.773 1.00 0.00 N ATOM 0 H HIS A1108 -0.306 4.256 7.284 1.00 0.00 H new ATOM 0 HA HIS A1108 -1.288 5.062 9.918 1.00 0.00 H new ATOM 0 HB2 HIS A1108 -2.226 2.886 10.409 1.00 0.00 H new ATOM 0 HB3 HIS A1108 -3.073 3.603 9.053 1.00 0.00 H new ATOM 0 HD2 HIS A1108 -0.597 0.623 9.733 1.00 0.00 H new ATOM 0 HE1 HIS A1108 -2.352 0.083 5.918 1.00 0.00 H new ATOM 0 HE2 HIS A1108 -0.874 -0.972 7.698 1.00 0.00 H new ATOM 640 N ILE A1109 0.678 3.865 10.918 1.00 0.00 N ATOM 641 CA ILE A1109 1.926 3.331 11.453 1.00 0.00 C ATOM 642 C ILE A1109 1.951 1.814 11.290 1.00 0.00 C ATOM 643 O ILE A1109 0.951 1.141 11.525 1.00 0.00 O ATOM 644 CB ILE A1109 2.093 3.697 12.948 1.00 0.00 C ATOM 645 CG1 ILE A1109 2.136 5.218 13.126 1.00 0.00 C ATOM 646 CG2 ILE A1109 3.345 3.061 13.536 1.00 0.00 C ATOM 647 CD1 ILE A1109 3.133 5.914 12.226 1.00 0.00 C ATOM 0 H ILE A1109 0.119 4.384 11.595 1.00 0.00 H new ATOM 0 HA ILE A1109 2.752 3.774 10.897 1.00 0.00 H new ATOM 0 HB ILE A1109 1.231 3.304 13.486 1.00 0.00 H new ATOM 0 HG12 ILE A1109 1.143 5.624 12.934 1.00 0.00 H new ATOM 0 HG13 ILE A1109 2.378 5.446 14.164 1.00 0.00 H new ATOM 0 HG21 ILE A1109 3.434 3.337 14.587 1.00 0.00 H new ATOM 0 HG22 ILE A1109 3.277 1.977 13.450 1.00 0.00 H new ATOM 0 HG23 ILE A1109 4.222 3.414 12.993 1.00 0.00 H new ATOM 0 HD11 ILE A1109 3.103 6.988 12.412 1.00 0.00 H new ATOM 0 HD12 ILE A1109 4.135 5.537 12.433 1.00 0.00 H new ATOM 0 HD13 ILE A1109 2.880 5.719 11.184 1.00 0.00 H new ATOM 659 N GLU A1110 3.095 1.293 10.865 1.00 0.00 N ATOM 660 CA GLU A1110 3.232 -0.131 10.583 1.00 0.00 C ATOM 661 C GLU A1110 3.219 -0.948 11.871 1.00 0.00 C ATOM 662 O GLU A1110 2.630 -2.028 11.925 1.00 0.00 O ATOM 663 CB GLU A1110 4.518 -0.393 9.798 1.00 0.00 C ATOM 664 CG GLU A1110 4.676 -1.838 9.357 1.00 0.00 C ATOM 665 CD GLU A1110 5.943 -2.079 8.565 1.00 0.00 C ATOM 666 OE1 GLU A1110 7.030 -2.119 9.177 1.00 0.00 O ATOM 667 OE2 GLU A1110 5.847 -2.260 7.330 1.00 0.00 O ATOM 0 H GLU A1110 3.944 1.836 10.708 1.00 0.00 H new ATOM 0 HA GLU A1110 2.380 -0.442 9.978 1.00 0.00 H new ATOM 0 HB2 GLU A1110 4.535 0.251 8.919 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.373 -0.114 10.414 1.00 0.00 H new ATOM 0 HG2 GLU A1110 4.675 -2.483 10.236 1.00 0.00 H new ATOM 0 HG3 GLU A1110 3.816 -2.124 8.752 1.00 0.00 H new ATOM 674 N GLY A1111 3.877 -0.435 12.901 1.00 0.00 N ATOM 675 CA GLY A1111 3.892 -1.111 14.184 1.00 0.00 C ATOM 676 C GLY A1111 2.550 -1.042 14.884 1.00 0.00 C ATOM 677 O GLY A1111 2.081 -2.027 15.461 1.00 0.00 O ATOM 0 H GLY A1111 4.402 0.439 12.872 1.00 0.00 H new ATOM 0 HA2 GLY A1111 4.171 -2.155 14.039 1.00 0.00 H new ATOM 0 HA3 GLY A1111 4.655 -0.662 14.820 1.00 0.00 H new ATOM 681 N GLN A1112 1.925 0.123 14.820 1.00 0.00 N ATOM 682 CA GLN A1112 0.628 0.336 15.438 1.00 0.00 C ATOM 683 C GLN A1112 -0.366 0.864 14.396 1.00 0.00 C ATOM 684 O GLN A1112 -0.652 2.061 14.307 1.00 0.00 O ATOM 685 CB GLN A1112 0.772 1.281 16.632 1.00 0.00 C ATOM 686 CG GLN A1112 1.313 2.641 16.271 1.00 0.00 C ATOM 687 CD GLN A1112 1.725 3.462 17.476 1.00 0.00 C ATOM 688 OE1 GLN A1112 2.620 4.298 17.384 1.00 0.00 O ATOM 689 NE2 GLN A1112 1.090 3.226 18.616 1.00 0.00 N ATOM 0 H GLN A1112 2.300 0.942 14.341 1.00 0.00 H new ATOM 0 HA GLN A1112 0.235 -0.609 15.814 1.00 0.00 H new ATOM 0 HB2 GLN A1112 -0.202 1.402 17.107 1.00 0.00 H new ATOM 0 HB3 GLN A1112 1.431 0.822 17.369 1.00 0.00 H new ATOM 0 HG2 GLN A1112 2.173 2.519 15.612 1.00 0.00 H new ATOM 0 HG3 GLN A1112 0.556 3.188 15.709 1.00 0.00 H new ATOM 0 HE21 GLN A1112 0.352 2.523 18.652 1.00 0.00 H new ATOM 0 HE22 GLN A1112 1.340 3.747 19.456 1.00 0.00 H new ATOM 698 N PRO A1113 -0.910 -0.059 13.597 1.00 0.00 N ATOM 699 CA PRO A1113 -1.743 0.256 12.425 1.00 0.00 C ATOM 700 C PRO A1113 -3.021 1.020 12.756 1.00 0.00 C ATOM 701 O PRO A1113 -3.674 1.560 11.861 1.00 0.00 O ATOM 702 CB PRO A1113 -2.086 -1.120 11.844 1.00 0.00 C ATOM 703 CG PRO A1113 -1.862 -2.080 12.960 1.00 0.00 C ATOM 704 CD PRO A1113 -0.743 -1.506 13.773 1.00 0.00 C ATOM 0 HA PRO A1113 -1.208 0.915 11.741 1.00 0.00 H new ATOM 0 HB2 PRO A1113 -3.118 -1.155 11.496 1.00 0.00 H new ATOM 0 HB3 PRO A1113 -1.453 -1.356 10.989 1.00 0.00 H new ATOM 0 HG2 PRO A1113 -2.763 -2.197 13.562 1.00 0.00 H new ATOM 0 HG3 PRO A1113 -1.602 -3.068 12.580 1.00 0.00 H new ATOM 0 HD2 PRO A1113 -0.817 -1.795 14.821 1.00 0.00 H new ATOM 0 HD3 PRO A1113 0.229 -1.846 13.416 1.00 0.00 H new ATOM 712 N GLU A1114 -3.378 1.076 14.032 1.00 0.00 N ATOM 713 CA GLU A1114 -4.597 1.754 14.442 1.00 0.00 C ATOM 714 C GLU A1114 -4.361 3.262 14.525 1.00 0.00 C ATOM 715 O GLU A1114 -5.303 4.045 14.663 1.00 0.00 O ATOM 716 CB GLU A1114 -5.095 1.202 15.778 1.00 0.00 C ATOM 717 CG GLU A1114 -6.571 1.458 16.019 1.00 0.00 C ATOM 718 CD GLU A1114 -7.066 0.855 17.316 1.00 0.00 C ATOM 719 OE1 GLU A1114 -7.273 -0.375 17.367 1.00 0.00 O ATOM 720 OE2 GLU A1114 -7.257 1.612 18.288 1.00 0.00 O ATOM 0 H GLU A1114 -2.843 0.662 14.796 1.00 0.00 H new ATOM 0 HA GLU A1114 -5.369 1.570 13.695 1.00 0.00 H new ATOM 0 HB2 GLU A1114 -4.909 0.129 15.812 1.00 0.00 H new ATOM 0 HB3 GLU A1114 -4.518 1.651 16.587 1.00 0.00 H new ATOM 0 HG2 GLU A1114 -6.752 2.533 16.031 1.00 0.00 H new ATOM 0 HG3 GLU A1114 -7.147 1.047 15.190 1.00 0.00 H new ATOM 727 N ARG A1115 -3.096 3.665 14.447 1.00 0.00 N ATOM 728 CA ARG A1115 -2.757 5.069 14.297 1.00 0.00 C ATOM 729 C ARG A1115 -2.675 5.410 12.824 1.00 0.00 C ATOM 730 O ARG A1115 -1.669 5.138 12.167 1.00 0.00 O ATOM 731 CB ARG A1115 -1.439 5.425 14.989 1.00 0.00 C ATOM 732 CG ARG A1115 -1.530 5.477 16.505 1.00 0.00 C ATOM 733 CD ARG A1115 -0.352 6.237 17.093 1.00 0.00 C ATOM 734 NE ARG A1115 -0.413 6.318 18.553 1.00 0.00 N ATOM 735 CZ ARG A1115 -0.753 7.416 19.229 1.00 0.00 C ATOM 736 NH1 ARG A1115 -1.084 8.528 18.583 1.00 0.00 N ATOM 737 NH2 ARG A1115 -0.755 7.403 20.553 1.00 0.00 N ATOM 0 H ARG A1115 -2.293 3.037 14.485 1.00 0.00 H new ATOM 0 HA ARG A1115 -3.541 5.654 14.777 1.00 0.00 H new ATOM 0 HB2 ARG A1115 -0.683 4.693 14.706 1.00 0.00 H new ATOM 0 HB3 ARG A1115 -1.098 6.393 14.622 1.00 0.00 H new ATOM 0 HG2 ARG A1115 -2.462 5.958 16.801 1.00 0.00 H new ATOM 0 HG3 ARG A1115 -1.552 4.464 16.907 1.00 0.00 H new ATOM 0 HD2 ARG A1115 0.576 5.748 16.797 1.00 0.00 H new ATOM 0 HD3 ARG A1115 -0.328 7.244 16.677 1.00 0.00 H new ATOM 0 HE ARG A1115 -0.181 5.481 19.088 1.00 0.00 H new ATOM 0 HH11 ARG A1115 -1.079 8.546 17.563 1.00 0.00 H new ATOM 0 HH12 ARG A1115 -1.343 9.364 19.107 1.00 0.00 H new ATOM 0 HH21 ARG A1115 -0.497 6.554 21.055 1.00 0.00 H new ATOM 0 HH22 ARG A1115 -1.015 8.242 21.071 1.00 0.00 H new ATOM 751 N LYS A1116 -3.753 5.976 12.313 1.00 0.00 N ATOM 752 CA LYS A1116 -3.835 6.352 10.914 1.00 0.00 C ATOM 753 C LYS A1116 -4.309 7.793 10.787 1.00 0.00 C ATOM 754 O LYS A1116 -4.898 8.343 11.716 1.00 0.00 O ATOM 755 CB LYS A1116 -4.780 5.411 10.140 1.00 0.00 C ATOM 756 CG LYS A1116 -6.256 5.523 10.523 1.00 0.00 C ATOM 757 CD LYS A1116 -6.538 4.978 11.917 1.00 0.00 C ATOM 758 CE LYS A1116 -7.984 5.201 12.327 1.00 0.00 C ATOM 759 NZ LYS A1116 -8.324 6.647 12.407 1.00 0.00 N ATOM 0 H LYS A1116 -4.592 6.187 12.853 1.00 0.00 H new ATOM 0 HA LYS A1116 -2.839 6.263 10.479 1.00 0.00 H new ATOM 0 HB2 LYS A1116 -4.680 5.616 9.074 1.00 0.00 H new ATOM 0 HB3 LYS A1116 -4.455 4.383 10.299 1.00 0.00 H new ATOM 0 HG2 LYS A1116 -6.562 6.568 10.476 1.00 0.00 H new ATOM 0 HG3 LYS A1116 -6.859 4.981 9.795 1.00 0.00 H new ATOM 0 HD2 LYS A1116 -6.313 3.912 11.943 1.00 0.00 H new ATOM 0 HD3 LYS A1116 -5.877 5.461 12.637 1.00 0.00 H new ATOM 0 HE2 LYS A1116 -8.644 4.713 11.610 1.00 0.00 H new ATOM 0 HE3 LYS A1116 -8.163 4.732 13.295 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 -9.209 6.767 12.939 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 -7.558 7.158 12.890 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 -8.443 7.029 11.447 1.00 0.00 H new ATOM 773 N GLY A1117 -4.038 8.396 9.648 1.00 0.00 N ATOM 774 CA GLY A1117 -4.407 9.776 9.430 1.00 0.00 C ATOM 775 C GLY A1117 -3.549 10.414 8.368 1.00 0.00 C ATOM 776 O GLY A1117 -2.889 9.712 7.599 1.00 0.00 O ATOM 0 H GLY A1117 -3.564 7.952 8.861 1.00 0.00 H new ATOM 0 HA2 GLY A1117 -5.455 9.832 9.135 1.00 0.00 H new ATOM 0 HA3 GLY A1117 -4.308 10.332 10.362 1.00 0.00 H new ATOM 780 N VAL A1118 -3.545 11.736 8.319 1.00 0.00 N ATOM 781 CA VAL A1118 -2.761 12.448 7.324 1.00 0.00 C ATOM 782 C VAL A1118 -1.472 12.982 7.938 1.00 0.00 C ATOM 783 O VAL A1118 -1.487 13.606 8.997 1.00 0.00 O ATOM 784 CB VAL A1118 -3.558 13.610 6.707 1.00 0.00 C ATOM 785 CG1 VAL A1118 -2.885 14.101 5.437 1.00 0.00 C ATOM 786 CG2 VAL A1118 -4.989 13.185 6.429 1.00 0.00 C ATOM 0 H VAL A1118 -4.073 12.335 8.953 1.00 0.00 H new ATOM 0 HA VAL A1118 -2.517 11.739 6.533 1.00 0.00 H new ATOM 0 HB VAL A1118 -3.580 14.433 7.421 1.00 0.00 H new ATOM 0 HG11 VAL A1118 -3.462 14.923 5.014 1.00 0.00 H new ATOM 0 HG12 VAL A1118 -1.878 14.447 5.669 1.00 0.00 H new ATOM 0 HG13 VAL A1118 -2.831 13.286 4.715 1.00 0.00 H new ATOM 0 HG21 VAL A1118 -5.538 14.019 5.993 1.00 0.00 H new ATOM 0 HG22 VAL A1118 -4.991 12.346 5.733 1.00 0.00 H new ATOM 0 HG23 VAL A1118 -5.467 12.884 7.361 1.00 0.00 H new ATOM 796 N PHE A1119 -0.360 12.722 7.272 1.00 0.00 N ATOM 797 CA PHE A1119 0.948 13.111 7.780 1.00 0.00 C ATOM 798 C PHE A1119 1.725 13.919 6.743 1.00 0.00 C ATOM 799 O PHE A1119 1.596 13.693 5.536 1.00 0.00 O ATOM 800 CB PHE A1119 1.745 11.867 8.195 1.00 0.00 C ATOM 801 CG PHE A1119 1.789 10.782 7.154 1.00 0.00 C ATOM 802 CD1 PHE A1119 2.796 10.748 6.200 1.00 0.00 C ATOM 803 CD2 PHE A1119 0.821 9.793 7.135 1.00 0.00 C ATOM 804 CE1 PHE A1119 2.833 9.743 5.249 1.00 0.00 C ATOM 805 CE2 PHE A1119 0.855 8.793 6.188 1.00 0.00 C ATOM 806 CZ PHE A1119 1.859 8.765 5.245 1.00 0.00 C ATOM 0 H PHE A1119 -0.335 12.241 6.373 1.00 0.00 H new ATOM 0 HA PHE A1119 0.798 13.744 8.654 1.00 0.00 H new ATOM 0 HB2 PHE A1119 2.766 12.167 8.433 1.00 0.00 H new ATOM 0 HB3 PHE A1119 1.311 11.460 9.108 1.00 0.00 H new ATOM 0 HD1 PHE A1119 3.558 11.513 6.199 1.00 0.00 H new ATOM 0 HD2 PHE A1119 0.030 9.805 7.871 1.00 0.00 H new ATOM 0 HE1 PHE A1119 3.622 9.724 4.512 1.00 0.00 H new ATOM 0 HE2 PHE A1119 0.092 8.029 6.185 1.00 0.00 H new ATOM 0 HZ PHE A1119 1.884 7.979 4.504 1.00 0.00 H new ATOM 816 N PRO A1120 2.533 14.885 7.208 1.00 0.00 N ATOM 817 CA PRO A1120 3.344 15.722 6.332 1.00 0.00 C ATOM 818 C PRO A1120 4.560 14.986 5.779 1.00 0.00 C ATOM 819 O PRO A1120 5.428 14.529 6.529 1.00 0.00 O ATOM 820 CB PRO A1120 3.783 16.877 7.229 1.00 0.00 C ATOM 821 CG PRO A1120 3.722 16.347 8.620 1.00 0.00 C ATOM 822 CD PRO A1120 2.705 15.235 8.629 1.00 0.00 C ATOM 0 HA PRO A1120 2.782 16.041 5.454 1.00 0.00 H new ATOM 0 HB2 PRO A1120 4.791 17.207 6.979 1.00 0.00 H new ATOM 0 HB3 PRO A1120 3.127 17.739 7.108 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.698 15.978 8.934 1.00 0.00 H new ATOM 0 HG3 PRO A1120 3.438 17.134 9.319 1.00 0.00 H new ATOM 0 HD2 PRO A1120 3.055 14.381 9.209 1.00 0.00 H new ATOM 0 HD3 PRO A1120 1.765 15.560 9.075 1.00 0.00 H new ATOM 830 N VAL A1121 4.618 14.900 4.457 1.00 0.00 N ATOM 831 CA VAL A1121 5.734 14.281 3.753 1.00 0.00 C ATOM 832 C VAL A1121 7.035 15.040 4.043 1.00 0.00 C ATOM 833 O VAL A1121 8.136 14.516 3.873 1.00 0.00 O ATOM 834 CB VAL A1121 5.465 14.242 2.230 1.00 0.00 C ATOM 835 CG1 VAL A1121 6.626 13.620 1.468 1.00 0.00 C ATOM 836 CG2 VAL A1121 4.179 13.481 1.939 1.00 0.00 C ATOM 0 H VAL A1121 3.890 15.259 3.840 1.00 0.00 H new ATOM 0 HA VAL A1121 5.839 13.257 4.111 1.00 0.00 H new ATOM 0 HB VAL A1121 5.358 15.272 1.889 1.00 0.00 H new ATOM 0 HG11 VAL A1121 6.398 13.611 0.402 1.00 0.00 H new ATOM 0 HG12 VAL A1121 7.530 14.204 1.641 1.00 0.00 H new ATOM 0 HG13 VAL A1121 6.783 12.598 1.814 1.00 0.00 H new ATOM 0 HG21 VAL A1121 4.003 13.462 0.863 1.00 0.00 H new ATOM 0 HG22 VAL A1121 4.268 12.460 2.310 1.00 0.00 H new ATOM 0 HG23 VAL A1121 3.344 13.975 2.435 1.00 0.00 H new ATOM 846 N SER A1122 6.881 16.269 4.522 1.00 0.00 N ATOM 847 CA SER A1122 8.004 17.131 4.864 1.00 0.00 C ATOM 848 C SER A1122 8.856 16.528 5.989 1.00 0.00 C ATOM 849 O SER A1122 10.050 16.813 6.096 1.00 0.00 O ATOM 850 CB SER A1122 7.474 18.512 5.270 1.00 0.00 C ATOM 851 OG SER A1122 8.505 19.485 5.292 1.00 0.00 O ATOM 0 H SER A1122 5.969 16.697 4.684 1.00 0.00 H new ATOM 0 HA SER A1122 8.647 17.228 3.990 1.00 0.00 H new ATOM 0 HB2 SER A1122 6.696 18.822 4.573 1.00 0.00 H new ATOM 0 HB3 SER A1122 7.012 18.449 6.255 1.00 0.00 H new ATOM 0 HG SER A1122 8.131 20.352 5.553 1.00 0.00 H new ATOM 857 N PHE A1123 8.252 15.678 6.813 1.00 0.00 N ATOM 858 CA PHE A1123 8.939 15.134 7.984 1.00 0.00 C ATOM 859 C PHE A1123 9.260 13.652 7.795 1.00 0.00 C ATOM 860 O PHE A1123 9.819 12.999 8.684 1.00 0.00 O ATOM 861 CB PHE A1123 8.083 15.310 9.244 1.00 0.00 C ATOM 862 CG PHE A1123 7.783 16.738 9.631 1.00 0.00 C ATOM 863 CD1 PHE A1123 7.397 17.672 8.684 1.00 0.00 C ATOM 864 CD2 PHE A1123 7.868 17.138 10.953 1.00 0.00 C ATOM 865 CE1 PHE A1123 7.102 18.966 9.036 1.00 0.00 C ATOM 866 CE2 PHE A1123 7.570 18.434 11.323 1.00 0.00 C ATOM 867 CZ PHE A1123 7.185 19.355 10.355 1.00 0.00 C ATOM 0 H PHE A1123 7.293 15.351 6.695 1.00 0.00 H new ATOM 0 HA PHE A1123 9.872 15.685 8.101 1.00 0.00 H new ATOM 0 HB2 PHE A1123 7.139 14.786 9.097 1.00 0.00 H new ATOM 0 HB3 PHE A1123 8.591 14.825 10.078 1.00 0.00 H new ATOM 0 HD1 PHE A1123 7.327 17.377 7.648 1.00 0.00 H new ATOM 0 HD2 PHE A1123 8.172 16.426 11.706 1.00 0.00 H new ATOM 0 HE1 PHE A1123 6.805 19.678 8.280 1.00 0.00 H new ATOM 0 HE2 PHE A1123 7.636 18.731 12.359 1.00 0.00 H new ATOM 0 HZ PHE A1123 6.952 20.371 10.636 1.00 0.00 H new ATOM 877 N VAL A1124 8.907 13.119 6.640 1.00 0.00 N ATOM 878 CA VAL A1124 9.109 11.701 6.369 1.00 0.00 C ATOM 879 C VAL A1124 9.849 11.496 5.057 1.00 0.00 C ATOM 880 O VAL A1124 10.074 12.446 4.307 1.00 0.00 O ATOM 881 CB VAL A1124 7.769 10.925 6.330 1.00 0.00 C ATOM 882 CG1 VAL A1124 7.150 10.839 7.713 1.00 0.00 C ATOM 883 CG2 VAL A1124 6.788 11.572 5.365 1.00 0.00 C ATOM 0 H VAL A1124 8.480 13.641 5.875 1.00 0.00 H new ATOM 0 HA VAL A1124 9.712 11.308 7.188 1.00 0.00 H new ATOM 0 HB VAL A1124 7.987 9.916 5.980 1.00 0.00 H new ATOM 0 HG11 VAL A1124 6.210 10.289 7.658 1.00 0.00 H new ATOM 0 HG12 VAL A1124 7.834 10.322 8.386 1.00 0.00 H new ATOM 0 HG13 VAL A1124 6.961 11.844 8.090 1.00 0.00 H new ATOM 0 HG21 VAL A1124 5.857 11.006 5.359 1.00 0.00 H new ATOM 0 HG22 VAL A1124 6.588 12.596 5.681 1.00 0.00 H new ATOM 0 HG23 VAL A1124 7.215 11.579 4.362 1.00 0.00 H new ATOM 893 N HIS A1125 10.242 10.262 4.791 1.00 0.00 N ATOM 894 CA HIS A1125 10.935 9.941 3.560 1.00 0.00 C ATOM 895 C HIS A1125 10.344 8.692 2.932 1.00 0.00 C ATOM 896 O HIS A1125 10.144 7.677 3.599 1.00 0.00 O ATOM 897 CB HIS A1125 12.436 9.768 3.818 1.00 0.00 C ATOM 898 CG HIS A1125 13.194 9.185 2.665 1.00 0.00 C ATOM 899 ND1 HIS A1125 13.170 9.717 1.395 1.00 0.00 N ATOM 900 CD2 HIS A1125 13.970 8.082 2.594 1.00 0.00 C ATOM 901 CE1 HIS A1125 13.895 8.963 0.593 1.00 0.00 C ATOM 902 NE2 HIS A1125 14.393 7.959 1.292 1.00 0.00 N ATOM 0 H HIS A1125 10.092 9.467 5.413 1.00 0.00 H new ATOM 0 HA HIS A1125 10.806 10.767 2.861 1.00 0.00 H new ATOM 0 HB2 HIS A1125 12.865 10.739 4.067 1.00 0.00 H new ATOM 0 HB3 HIS A1125 12.572 9.127 4.689 1.00 0.00 H new ATOM 0 HD2 HIS A1125 14.214 7.418 3.410 1.00 0.00 H new ATOM 0 HE1 HIS A1125 14.055 9.137 -0.461 1.00 0.00 H new ATOM 0 HE2 HIS A1125 14.991 7.217 0.927 1.00 0.00 H new ATOM 911 N ILE A1126 10.073 8.792 1.646 1.00 0.00 N ATOM 912 CA ILE A1126 9.448 7.717 0.892 1.00 0.00 C ATOM 913 C ILE A1126 10.400 6.529 0.747 1.00 0.00 C ATOM 914 O ILE A1126 11.586 6.701 0.472 1.00 0.00 O ATOM 915 CB ILE A1126 8.973 8.218 -0.500 1.00 0.00 C ATOM 916 CG1 ILE A1126 7.658 9.004 -0.382 1.00 0.00 C ATOM 917 CG2 ILE A1126 8.797 7.063 -1.471 1.00 0.00 C ATOM 918 CD1 ILE A1126 7.759 10.312 0.376 1.00 0.00 C ATOM 0 H ILE A1126 10.279 9.622 1.090 1.00 0.00 H new ATOM 0 HA ILE A1126 8.571 7.383 1.447 1.00 0.00 H new ATOM 0 HB ILE A1126 9.746 8.881 -0.887 1.00 0.00 H new ATOM 0 HG12 ILE A1126 7.285 9.211 -1.385 1.00 0.00 H new ATOM 0 HG13 ILE A1126 6.918 8.373 0.110 1.00 0.00 H new ATOM 0 HG21 ILE A1126 8.464 7.446 -2.436 1.00 0.00 H new ATOM 0 HG22 ILE A1126 9.747 6.544 -1.595 1.00 0.00 H new ATOM 0 HG23 ILE A1126 8.053 6.369 -1.080 1.00 0.00 H new ATOM 0 HD11 ILE A1126 6.781 10.792 0.405 1.00 0.00 H new ATOM 0 HD12 ILE A1126 8.098 10.118 1.393 1.00 0.00 H new ATOM 0 HD13 ILE A1126 8.471 10.969 -0.125 1.00 0.00 H new ATOM 930 N LEU A1127 9.870 5.329 0.959 1.00 0.00 N ATOM 931 CA LEU A1127 10.664 4.109 0.919 1.00 0.00 C ATOM 932 C LEU A1127 10.226 3.226 -0.244 1.00 0.00 C ATOM 933 O LEU A1127 9.928 2.044 -0.065 1.00 0.00 O ATOM 934 CB LEU A1127 10.504 3.343 2.233 1.00 0.00 C ATOM 935 CG LEU A1127 10.759 4.159 3.497 1.00 0.00 C ATOM 936 CD1 LEU A1127 10.334 3.367 4.719 1.00 0.00 C ATOM 937 CD2 LEU A1127 12.227 4.552 3.594 1.00 0.00 C ATOM 0 H LEU A1127 8.882 5.176 1.162 1.00 0.00 H new ATOM 0 HA LEU A1127 11.711 4.380 0.781 1.00 0.00 H new ATOM 0 HB2 LEU A1127 9.493 2.939 2.279 1.00 0.00 H new ATOM 0 HB3 LEU A1127 11.186 2.493 2.225 1.00 0.00 H new ATOM 0 HG LEU A1127 10.167 5.073 3.450 1.00 0.00 H new ATOM 0 HD11 LEU A1127 10.519 3.956 5.617 1.00 0.00 H new ATOM 0 HD12 LEU A1127 9.271 3.134 4.650 1.00 0.00 H new ATOM 0 HD13 LEU A1127 10.906 2.440 4.769 1.00 0.00 H new ATOM 0 HD21 LEU A1127 12.389 5.133 4.502 1.00 0.00 H new ATOM 0 HD22 LEU A1127 12.843 3.653 3.624 1.00 0.00 H new ATOM 0 HD23 LEU A1127 12.501 5.151 2.726 1.00 0.00 H new ATOM 949 N SER A1128 10.176 3.802 -1.434 1.00 0.00 N ATOM 950 CA SER A1128 9.785 3.058 -2.623 1.00 0.00 C ATOM 951 C SER A1128 11.014 2.480 -3.305 1.00 0.00 C ATOM 952 O SER A1128 10.939 1.889 -4.384 1.00 0.00 O ATOM 953 CB SER A1128 9.009 3.963 -3.582 1.00 0.00 C ATOM 954 OG SER A1128 9.734 5.153 -3.851 1.00 0.00 O ATOM 0 H SER A1128 10.401 4.782 -1.604 1.00 0.00 H new ATOM 0 HA SER A1128 9.135 2.234 -2.328 1.00 0.00 H new ATOM 0 HB2 SER A1128 8.815 3.432 -4.514 1.00 0.00 H new ATOM 0 HB3 SER A1128 8.040 4.212 -3.150 1.00 0.00 H new ATOM 0 HG SER A1128 9.221 5.716 -4.467 1.00 0.00 H new ATOM 960 N ASP A1129 12.140 2.655 -2.649 1.00 0.00 N ATOM 961 CA ASP A1129 13.412 2.179 -3.151 1.00 0.00 C ATOM 962 C ASP A1129 14.153 1.456 -2.040 1.00 0.00 C ATOM 963 O ASP A1129 14.052 0.212 -1.969 1.00 0.00 O ATOM 964 CB ASP A1129 14.247 3.347 -3.680 1.00 0.00 C ATOM 965 CG ASP A1129 15.517 2.888 -4.363 1.00 0.00 C ATOM 966 OD1 ASP A1129 15.458 2.549 -5.565 1.00 0.00 O ATOM 967 OD2 ASP A1129 16.583 2.880 -3.712 1.00 0.00 O ATOM 968 OXT ASP A1129 14.793 2.129 -1.210 1.00 0.00 O ATOM 0 H ASP A1129 12.200 3.133 -1.750 1.00 0.00 H new ATOM 0 HA ASP A1129 13.238 1.487 -3.975 1.00 0.00 H new ATOM 0 HB2 ASP A1129 13.650 3.928 -4.383 1.00 0.00 H new ATOM 0 HB3 ASP A1129 14.502 4.011 -2.854 1.00 0.00 H new TER 973 ASP A1129 ATOM 974 N CYS B1578 17.557 8.155 12.938 1.00 0.00 N ATOM 975 CA CYS B1578 18.506 9.288 12.857 1.00 0.00 C ATOM 976 C CYS B1578 17.800 10.528 12.335 1.00 0.00 C ATOM 977 O CYS B1578 17.221 10.501 11.251 1.00 0.00 O ATOM 978 CB CYS B1578 19.664 8.932 11.928 1.00 0.00 C ATOM 979 SG CYS B1578 20.593 7.465 12.435 1.00 0.00 S ATOM 0 HA CYS B1578 18.893 9.491 13.856 1.00 0.00 H new ATOM 0 HB2 CYS B1578 19.274 8.772 10.923 1.00 0.00 H new ATOM 0 HB3 CYS B1578 20.346 9.780 11.874 1.00 0.00 H new ATOM 0 HG CYS B1578 21.551 7.243 11.585 1.00 0.00 H new ATOM 987 N ILE B1579 17.834 11.612 13.104 1.00 0.00 N ATOM 988 CA ILE B1579 17.201 12.847 12.674 1.00 0.00 C ATOM 989 C ILE B1579 17.918 13.422 11.467 1.00 0.00 C ATOM 990 O ILE B1579 19.128 13.668 11.503 1.00 0.00 O ATOM 991 CB ILE B1579 17.150 13.921 13.785 1.00 0.00 C ATOM 992 CG1 ILE B1579 16.176 13.505 14.888 1.00 0.00 C ATOM 993 CG2 ILE B1579 16.751 15.276 13.204 1.00 0.00 C ATOM 994 CD1 ILE B1579 15.856 14.621 15.858 1.00 0.00 C ATOM 0 H ILE B1579 18.288 11.658 14.016 1.00 0.00 H new ATOM 0 HA ILE B1579 16.175 12.585 12.417 1.00 0.00 H new ATOM 0 HB ILE B1579 18.145 14.013 14.220 1.00 0.00 H new ATOM 0 HG12 ILE B1579 15.251 13.153 14.432 1.00 0.00 H new ATOM 0 HG13 ILE B1579 16.599 12.665 15.439 1.00 0.00 H new ATOM 0 HG21 ILE B1579 16.721 16.019 14.001 1.00 0.00 H new ATOM 0 HG22 ILE B1579 17.481 15.579 12.453 1.00 0.00 H new ATOM 0 HG23 ILE B1579 15.767 15.198 12.743 1.00 0.00 H new ATOM 0 HD11 ILE B1579 15.160 14.258 16.614 1.00 0.00 H new ATOM 0 HD12 ILE B1579 16.773 14.957 16.341 1.00 0.00 H new ATOM 0 HD13 ILE B1579 15.404 15.453 15.319 1.00 0.00 H new ATOM 1006 N ILE B1580 17.168 13.605 10.401 1.00 0.00 N ATOM 1007 CA ILE B1580 17.682 14.252 9.215 1.00 0.00 C ATOM 1008 C ILE B1580 17.760 15.749 9.458 1.00 0.00 C ATOM 1009 O ILE B1580 16.800 16.346 9.917 1.00 0.00 O ATOM 1010 CB ILE B1580 16.800 13.939 7.976 1.00 0.00 C ATOM 1011 CG1 ILE B1580 17.313 12.687 7.268 1.00 0.00 C ATOM 1012 CG2 ILE B1580 16.729 15.110 7.003 1.00 0.00 C ATOM 1013 CD1 ILE B1580 17.272 11.456 8.135 1.00 0.00 C ATOM 0 H ILE B1580 16.193 13.312 10.333 1.00 0.00 H new ATOM 0 HA ILE B1580 18.680 13.867 9.006 1.00 0.00 H new ATOM 0 HB ILE B1580 15.786 13.762 8.335 1.00 0.00 H new ATOM 0 HG12 ILE B1580 16.716 12.513 6.373 1.00 0.00 H new ATOM 0 HG13 ILE B1580 18.338 12.858 6.939 1.00 0.00 H new ATOM 0 HG21 ILE B1580 16.101 14.840 6.154 1.00 0.00 H new ATOM 0 HG22 ILE B1580 16.304 15.977 7.508 1.00 0.00 H new ATOM 0 HG23 ILE B1580 17.732 15.351 6.650 1.00 0.00 H new ATOM 0 HD11 ILE B1580 17.650 10.602 7.573 1.00 0.00 H new ATOM 0 HD12 ILE B1580 17.892 11.612 9.018 1.00 0.00 H new ATOM 0 HD13 ILE B1580 16.245 11.262 8.443 1.00 0.00 H new ATOM 1025 N SER B1581 18.934 16.315 9.232 1.00 0.00 N ATOM 1026 CA SER B1581 19.123 17.759 9.255 1.00 0.00 C ATOM 1027 C SER B1581 18.562 18.398 10.537 1.00 0.00 C ATOM 1028 O SER B1581 18.683 17.838 11.634 1.00 0.00 O ATOM 1029 CB SER B1581 18.436 18.356 8.026 1.00 0.00 C ATOM 1030 OG SER B1581 18.968 17.824 6.822 1.00 0.00 O ATOM 0 H SER B1581 19.783 15.788 9.027 1.00 0.00 H new ATOM 0 HA SER B1581 20.192 17.969 9.239 1.00 0.00 H new ATOM 0 HB2 SER B1581 17.366 18.154 8.072 1.00 0.00 H new ATOM 0 HB3 SER B1581 18.557 19.439 8.031 1.00 0.00 H new ATOM 0 HG SER B1581 18.507 18.224 6.056 1.00 0.00 H new ATOM 1036 N ALA B1582 17.998 19.593 10.394 1.00 0.00 N ATOM 1037 CA ALA B1582 17.216 20.211 11.448 1.00 0.00 C ATOM 1038 C ALA B1582 15.747 20.198 11.043 1.00 0.00 C ATOM 1039 O ALA B1582 15.441 20.067 9.858 1.00 0.00 O ATOM 1040 CB ALA B1582 17.696 21.631 11.714 1.00 0.00 C ATOM 0 H ALA B1582 18.072 20.155 9.546 1.00 0.00 H new ATOM 0 HA ALA B1582 17.340 19.647 12.373 1.00 0.00 H new ATOM 0 HB1 ALA B1582 17.096 22.075 12.508 1.00 0.00 H new ATOM 0 HB2 ALA B1582 18.742 21.610 12.019 1.00 0.00 H new ATOM 0 HB3 ALA B1582 17.594 22.226 10.806 1.00 0.00 H new ATOM 1046 N MET B1583 14.857 20.350 12.013 1.00 0.00 N ATOM 1047 CA MET B1583 13.418 20.200 11.789 1.00 0.00 C ATOM 1048 C MET B1583 12.902 21.049 10.621 1.00 0.00 C ATOM 1049 O MET B1583 13.291 22.208 10.460 1.00 0.00 O ATOM 1050 CB MET B1583 12.655 20.548 13.069 1.00 0.00 C ATOM 1051 CG MET B1583 11.156 20.659 12.869 1.00 0.00 C ATOM 1052 SD MET B1583 10.223 19.897 14.200 1.00 0.00 S ATOM 1053 CE MET B1583 10.686 18.188 13.946 1.00 0.00 C ATOM 0 H MET B1583 15.106 20.580 12.975 1.00 0.00 H new ATOM 0 HA MET B1583 13.244 19.158 11.520 1.00 0.00 H new ATOM 0 HB2 MET B1583 12.858 19.786 13.822 1.00 0.00 H new ATOM 0 HB3 MET B1583 13.032 21.492 13.462 1.00 0.00 H new ATOM 0 HG2 MET B1583 10.880 21.711 12.793 1.00 0.00 H new ATOM 0 HG3 MET B1583 10.884 20.189 11.924 1.00 0.00 H new ATOM 0 HE1 MET B1583 10.656 17.658 14.898 1.00 0.00 H new ATOM 0 HE2 MET B1583 9.990 17.722 13.249 1.00 0.00 H new ATOM 0 HE3 MET B1583 11.695 18.141 13.537 1.00 0.00 H new ATOM 1063 N PRO B1584 12.017 20.461 9.788 1.00 0.00 N ATOM 1064 CA PRO B1584 11.374 21.152 8.686 1.00 0.00 C ATOM 1065 C PRO B1584 10.101 21.831 9.153 1.00 0.00 C ATOM 1066 O PRO B1584 9.762 21.791 10.336 1.00 0.00 O ATOM 1067 CB PRO B1584 11.061 20.017 7.723 1.00 0.00 C ATOM 1068 CG PRO B1584 10.746 18.867 8.611 1.00 0.00 C ATOM 1069 CD PRO B1584 11.549 19.066 9.873 1.00 0.00 C ATOM 0 HA PRO B1584 11.986 21.939 8.245 1.00 0.00 H new ATOM 0 HB2 PRO B1584 10.219 20.264 7.076 1.00 0.00 H new ATOM 0 HB3 PRO B1584 11.909 19.799 7.074 1.00 0.00 H new ATOM 0 HG2 PRO B1584 9.679 18.829 8.832 1.00 0.00 H new ATOM 0 HG3 PRO B1584 11.006 17.924 8.131 1.00 0.00 H new ATOM 0 HD2 PRO B1584 10.940 18.904 10.762 1.00 0.00 H new ATOM 0 HD3 PRO B1584 12.385 18.368 9.927 1.00 0.00 H new ATOM 1077 N THR B1585 9.385 22.435 8.234 1.00 0.00 N ATOM 1078 CA THR B1585 8.208 23.185 8.592 1.00 0.00 C ATOM 1079 C THR B1585 6.953 22.423 8.221 1.00 0.00 C ATOM 1080 O THR B1585 6.859 21.853 7.132 1.00 0.00 O ATOM 1081 CB THR B1585 8.191 24.554 7.887 1.00 0.00 C ATOM 1082 OG1 THR B1585 9.484 25.167 7.983 1.00 0.00 O ATOM 1083 CG2 THR B1585 7.142 25.475 8.500 1.00 0.00 C ATOM 0 H THR B1585 9.597 22.421 7.236 1.00 0.00 H new ATOM 0 HA THR B1585 8.234 23.338 9.671 1.00 0.00 H new ATOM 0 HB THR B1585 7.937 24.393 6.839 1.00 0.00 H new ATOM 0 HG1 THR B1585 9.468 26.037 7.531 1.00 0.00 H new ATOM 0 HG21 THR B1585 7.153 26.434 7.982 1.00 0.00 H new ATOM 0 HG22 THR B1585 6.156 25.020 8.401 1.00 0.00 H new ATOM 0 HG23 THR B1585 7.366 25.630 9.555 1.00 0.00 H new ATOM 1091 N LYS B1586 6.011 22.380 9.149 1.00 0.00 N ATOM 1092 CA LYS B1586 4.673 21.922 8.850 1.00 0.00 C ATOM 1093 C LYS B1586 4.038 22.958 7.939 1.00 0.00 C ATOM 1094 O LYS B1586 3.467 23.944 8.407 1.00 0.00 O ATOM 1095 CB LYS B1586 3.863 21.785 10.134 1.00 0.00 C ATOM 1096 CG LYS B1586 2.524 21.111 9.934 1.00 0.00 C ATOM 1097 CD LYS B1586 1.500 21.642 10.919 1.00 0.00 C ATOM 1098 CE LYS B1586 1.897 21.366 12.362 1.00 0.00 C ATOM 1099 NZ LYS B1586 1.052 22.125 13.323 1.00 0.00 N ATOM 0 H LYS B1586 6.154 22.659 10.120 1.00 0.00 H new ATOM 0 HA LYS B1586 4.699 20.945 8.367 1.00 0.00 H new ATOM 0 HB2 LYS B1586 4.442 21.216 10.861 1.00 0.00 H new ATOM 0 HB3 LYS B1586 3.702 22.775 10.560 1.00 0.00 H new ATOM 0 HG2 LYS B1586 2.176 21.279 8.915 1.00 0.00 H new ATOM 0 HG3 LYS B1586 2.632 20.034 10.060 1.00 0.00 H new ATOM 0 HD2 LYS B1586 1.382 22.716 10.775 1.00 0.00 H new ATOM 0 HD3 LYS B1586 0.531 21.185 10.716 1.00 0.00 H new ATOM 0 HE2 LYS B1586 1.809 20.299 12.565 1.00 0.00 H new ATOM 0 HE3 LYS B1586 2.944 21.633 12.508 1.00 0.00 H new ATOM 0 HZ1 LYS B1586 1.079 21.659 14.252 1.00 0.00 H new ATOM 0 HZ2 LYS B1586 1.414 23.096 13.412 1.00 0.00 H new ATOM 0 HZ3 LYS B1586 0.071 22.151 12.978 1.00 0.00 H new ATOM 1113 N SER B1587 4.155 22.735 6.643 1.00 0.00 N ATOM 1114 CA SER B1587 3.830 23.756 5.647 1.00 0.00 C ATOM 1115 C SER B1587 2.323 23.901 5.448 1.00 0.00 C ATOM 1116 O SER B1587 1.872 24.349 4.391 1.00 0.00 O ATOM 1117 CB SER B1587 4.496 23.408 4.318 1.00 0.00 C ATOM 1118 OG SER B1587 5.818 22.944 4.519 1.00 0.00 O ATOM 0 H SER B1587 4.475 21.851 6.247 1.00 0.00 H new ATOM 0 HA SER B1587 4.207 24.710 6.014 1.00 0.00 H new ATOM 0 HB2 SER B1587 3.913 22.644 3.804 1.00 0.00 H new ATOM 0 HB3 SER B1587 4.509 24.286 3.673 1.00 0.00 H new ATOM 0 HG SER B1587 5.965 22.133 3.988 1.00 0.00 H new ATOM 1124 N SER B1588 1.560 23.530 6.475 1.00 0.00 N ATOM 1125 CA SER B1588 0.104 23.568 6.442 1.00 0.00 C ATOM 1126 C SER B1588 -0.454 22.584 5.420 1.00 0.00 C ATOM 1127 O SER B1588 0.030 22.478 4.290 1.00 0.00 O ATOM 1128 CB SER B1588 -0.402 24.985 6.147 1.00 0.00 C ATOM 1129 OG SER B1588 0.079 25.909 7.112 1.00 0.00 O ATOM 0 H SER B1588 1.941 23.192 7.359 1.00 0.00 H new ATOM 0 HA SER B1588 -0.252 23.271 7.429 1.00 0.00 H new ATOM 0 HB2 SER B1588 -0.078 25.291 5.152 1.00 0.00 H new ATOM 0 HB3 SER B1588 -1.492 24.992 6.143 1.00 0.00 H new ATOM 0 HG SER B1588 -0.256 26.806 6.902 1.00 0.00 H new ATOM 1135 N ARG B1589 -1.464 21.842 5.824 1.00 0.00 N ATOM 1136 CA ARG B1589 -2.118 20.930 4.914 1.00 0.00 C ATOM 1137 C ARG B1589 -3.024 21.716 3.986 1.00 0.00 C ATOM 1138 O ARG B1589 -4.125 22.116 4.348 1.00 0.00 O ATOM 1139 CB ARG B1589 -2.873 19.861 5.690 1.00 0.00 C ATOM 1140 CG ARG B1589 -3.608 18.857 4.824 1.00 0.00 C ATOM 1141 CD ARG B1589 -3.925 17.613 5.627 1.00 0.00 C ATOM 1142 NE ARG B1589 -5.196 17.012 5.237 1.00 0.00 N ATOM 1143 CZ ARG B1589 -6.043 16.443 6.092 1.00 0.00 C ATOM 1144 NH1 ARG B1589 -5.733 16.331 7.370 1.00 0.00 N ATOM 1145 NH2 ARG B1589 -7.198 15.961 5.666 1.00 0.00 N ATOM 0 H ARG B1589 -1.846 21.853 6.770 1.00 0.00 H new ATOM 0 HA ARG B1589 -1.377 20.413 4.304 1.00 0.00 H new ATOM 0 HB2 ARG B1589 -2.168 19.326 6.326 1.00 0.00 H new ATOM 0 HB3 ARG B1589 -3.591 20.348 6.349 1.00 0.00 H new ATOM 0 HG2 ARG B1589 -4.529 19.298 4.443 1.00 0.00 H new ATOM 0 HG3 ARG B1589 -2.998 18.596 3.959 1.00 0.00 H new ATOM 0 HD2 ARG B1589 -3.125 16.884 5.495 1.00 0.00 H new ATOM 0 HD3 ARG B1589 -3.955 17.865 6.687 1.00 0.00 H new ATOM 0 HE ARG B1589 -5.451 17.029 4.250 1.00 0.00 H new ATOM 0 HH11 ARG B1589 -4.838 16.682 7.710 1.00 0.00 H new ATOM 0 HH12 ARG B1589 -6.389 15.893 8.017 1.00 0.00 H new ATOM 0 HH21 ARG B1589 -7.444 16.024 4.678 1.00 0.00 H new ATOM 0 HH22 ARG B1589 -7.843 15.526 6.325 1.00 0.00 H new ATOM 1159 N LYS B1590 -2.521 21.926 2.785 1.00 0.00 N ATOM 1160 CA LYS B1590 -3.116 22.843 1.826 1.00 0.00 C ATOM 1161 C LYS B1590 -4.417 22.296 1.255 1.00 0.00 C ATOM 1162 O LYS B1590 -5.285 23.057 0.817 1.00 0.00 O ATOM 1163 CB LYS B1590 -2.108 23.104 0.711 1.00 0.00 C ATOM 1164 CG LYS B1590 -0.866 23.841 1.187 1.00 0.00 C ATOM 1165 CD LYS B1590 0.337 23.535 0.311 1.00 0.00 C ATOM 1166 CE LYS B1590 1.096 22.306 0.800 1.00 0.00 C ATOM 1167 NZ LYS B1590 1.793 22.560 2.091 1.00 0.00 N ATOM 0 H LYS B1590 -1.680 21.462 2.442 1.00 0.00 H new ATOM 0 HA LYS B1590 -3.361 23.775 2.334 1.00 0.00 H new ATOM 0 HB2 LYS B1590 -1.811 22.153 0.268 1.00 0.00 H new ATOM 0 HB3 LYS B1590 -2.589 23.686 -0.076 1.00 0.00 H new ATOM 0 HG2 LYS B1590 -1.056 24.914 1.183 1.00 0.00 H new ATOM 0 HG3 LYS B1590 -0.648 23.559 2.217 1.00 0.00 H new ATOM 0 HD2 LYS B1590 0.008 23.374 -0.715 1.00 0.00 H new ATOM 0 HD3 LYS B1590 1.007 24.395 0.300 1.00 0.00 H new ATOM 0 HE2 LYS B1590 0.401 21.475 0.920 1.00 0.00 H new ATOM 0 HE3 LYS B1590 1.825 22.006 0.047 1.00 0.00 H new ATOM 0 HZ1 LYS B1590 2.479 21.799 2.270 1.00 0.00 H new ATOM 0 HZ2 LYS B1590 2.291 23.472 2.043 1.00 0.00 H new ATOM 0 HZ3 LYS B1590 1.096 22.587 2.862 1.00 0.00 H new ATOM 1181 N ALA B1591 -4.543 20.979 1.266 1.00 0.00 N ATOM 1182 CA ALA B1591 -5.742 20.321 0.771 1.00 0.00 C ATOM 1183 C ALA B1591 -6.899 20.430 1.766 1.00 0.00 C ATOM 1184 O ALA B1591 -8.053 20.169 1.412 1.00 0.00 O ATOM 1185 CB ALA B1591 -5.447 18.866 0.450 1.00 0.00 C ATOM 0 H ALA B1591 -3.826 20.342 1.614 1.00 0.00 H new ATOM 0 HA ALA B1591 -6.049 20.830 -0.142 1.00 0.00 H new ATOM 0 HB1 ALA B1591 -6.352 18.384 0.080 1.00 0.00 H new ATOM 0 HB2 ALA B1591 -4.670 18.812 -0.312 1.00 0.00 H new ATOM 0 HB3 ALA B1591 -5.107 18.356 1.351 1.00 0.00 H new ATOM 1191 N LYS B1592 -6.600 20.825 3.001 1.00 0.00 N ATOM 1192 CA LYS B1592 -7.639 20.992 4.006 1.00 0.00 C ATOM 1193 C LYS B1592 -7.777 22.461 4.381 1.00 0.00 C ATOM 1194 O LYS B1592 -6.806 23.218 4.349 1.00 0.00 O ATOM 1195 CB LYS B1592 -7.365 20.145 5.258 1.00 0.00 C ATOM 1196 CG LYS B1592 -6.243 20.661 6.153 1.00 0.00 C ATOM 1197 CD LYS B1592 -6.074 19.775 7.384 1.00 0.00 C ATOM 1198 CE LYS B1592 -7.314 19.813 8.268 1.00 0.00 C ATOM 1199 NZ LYS B1592 -7.433 18.606 9.127 1.00 0.00 N ATOM 0 H LYS B1592 -5.655 21.033 3.325 1.00 0.00 H new ATOM 0 HA LYS B1592 -8.576 20.643 3.573 1.00 0.00 H new ATOM 0 HB2 LYS B1592 -8.281 20.087 5.846 1.00 0.00 H new ATOM 0 HB3 LYS B1592 -7.122 19.130 4.945 1.00 0.00 H new ATOM 0 HG2 LYS B1592 -5.309 20.691 5.591 1.00 0.00 H new ATOM 0 HG3 LYS B1592 -6.461 21.683 6.463 1.00 0.00 H new ATOM 0 HD2 LYS B1592 -5.878 18.749 7.072 1.00 0.00 H new ATOM 0 HD3 LYS B1592 -5.207 20.105 7.956 1.00 0.00 H new ATOM 0 HE2 LYS B1592 -7.281 20.702 8.898 1.00 0.00 H new ATOM 0 HE3 LYS B1592 -8.202 19.899 7.641 1.00 0.00 H new ATOM 0 HZ1 LYS B1592 -7.861 18.869 10.037 1.00 0.00 H new ATOM 0 HZ2 LYS B1592 -8.032 17.900 8.653 1.00 0.00 H new ATOM 0 HZ3 LYS B1592 -6.489 18.203 9.292 1.00 0.00 H new ATOM 1213 N LYS B1593 -8.985 22.864 4.721 1.00 0.00 N ATOM 1214 CA LYS B1593 -9.245 24.243 5.079 1.00 0.00 C ATOM 1215 C LYS B1593 -9.523 24.356 6.567 1.00 0.00 C ATOM 1216 O LYS B1593 -10.382 23.646 7.092 1.00 0.00 O ATOM 1217 CB LYS B1593 -10.436 24.790 4.285 1.00 0.00 C ATOM 1218 CG LYS B1593 -10.249 24.730 2.778 1.00 0.00 C ATOM 1219 CD LYS B1593 -11.442 25.322 2.046 1.00 0.00 C ATOM 1220 CE LYS B1593 -11.277 25.231 0.537 1.00 0.00 C ATOM 1221 NZ LYS B1593 -10.114 26.021 0.047 1.00 0.00 N ATOM 0 H LYS B1593 -9.802 22.255 4.757 1.00 0.00 H new ATOM 0 HA LYS B1593 -8.361 24.833 4.836 1.00 0.00 H new ATOM 0 HB2 LYS B1593 -11.329 24.226 4.553 1.00 0.00 H new ATOM 0 HB3 LYS B1593 -10.612 25.825 4.579 1.00 0.00 H new ATOM 0 HG2 LYS B1593 -9.345 25.272 2.500 1.00 0.00 H new ATOM 0 HG3 LYS B1593 -10.108 23.694 2.469 1.00 0.00 H new ATOM 0 HD2 LYS B1593 -12.350 24.798 2.345 1.00 0.00 H new ATOM 0 HD3 LYS B1593 -11.566 26.365 2.336 1.00 0.00 H new ATOM 0 HE2 LYS B1593 -11.151 24.187 0.250 1.00 0.00 H new ATOM 0 HE3 LYS B1593 -12.186 25.588 0.052 1.00 0.00 H new ATOM 0 HZ1 LYS B1593 -10.130 26.054 -0.992 1.00 0.00 H new ATOM 0 HZ2 LYS B1593 -10.167 26.988 0.425 1.00 0.00 H new ATOM 0 HZ3 LYS B1593 -9.231 25.573 0.365 1.00 0.00 H new ATOM 1235 N PRO B1594 -8.773 25.211 7.277 1.00 0.00 N ATOM 1236 CA PRO B1594 -9.081 25.552 8.663 1.00 0.00 C ATOM 1237 C PRO B1594 -10.432 26.253 8.752 1.00 0.00 C ATOM 1238 O PRO B1594 -10.516 27.475 8.625 1.00 0.00 O ATOM 1239 CB PRO B1594 -7.945 26.496 9.074 1.00 0.00 C ATOM 1240 CG PRO B1594 -7.372 26.999 7.793 1.00 0.00 C ATOM 1241 CD PRO B1594 -7.564 25.894 6.793 1.00 0.00 C ATOM 0 HA PRO B1594 -9.149 24.677 9.310 1.00 0.00 H new ATOM 0 HB2 PRO B1594 -8.317 27.316 9.688 1.00 0.00 H new ATOM 0 HB3 PRO B1594 -7.192 25.973 9.664 1.00 0.00 H new ATOM 0 HG2 PRO B1594 -7.877 27.910 7.470 1.00 0.00 H new ATOM 0 HG3 PRO B1594 -6.316 27.243 7.907 1.00 0.00 H new ATOM 0 HD2 PRO B1594 -7.698 26.283 5.784 1.00 0.00 H new ATOM 0 HD3 PRO B1594 -6.706 25.223 6.765 1.00 0.00 H new ATOM 1249 N ALA B1595 -11.482 25.452 8.915 1.00 0.00 N ATOM 1250 CA ALA B1595 -12.858 25.939 8.947 1.00 0.00 C ATOM 1251 C ALA B1595 -13.026 27.154 9.860 1.00 0.00 C ATOM 1252 O ALA B1595 -12.419 27.231 10.930 1.00 0.00 O ATOM 1253 CB ALA B1595 -13.789 24.826 9.390 1.00 0.00 C ATOM 0 H ALA B1595 -11.401 24.442 9.029 1.00 0.00 H new ATOM 0 HA ALA B1595 -13.113 26.257 7.936 1.00 0.00 H new ATOM 0 HB1 ALA B1595 -14.814 25.196 9.412 1.00 0.00 H new ATOM 0 HB2 ALA B1595 -13.719 23.993 8.691 1.00 0.00 H new ATOM 0 HB3 ALA B1595 -13.504 24.488 10.386 1.00 0.00 H new ATOM 1259 N GLN B1596 -13.855 28.094 9.425 1.00 0.00 N ATOM 1260 CA GLN B1596 -14.103 29.317 10.170 1.00 0.00 C ATOM 1261 C GLN B1596 -15.599 29.609 10.188 1.00 0.00 C ATOM 1262 O GLN B1596 -16.052 30.464 9.397 1.00 0.00 O ATOM 1263 CB GLN B1596 -13.336 30.489 9.540 1.00 0.00 C ATOM 1264 CG GLN B1596 -11.825 30.372 9.678 1.00 0.00 C ATOM 1265 CD GLN B1596 -11.073 31.372 8.822 1.00 0.00 C ATOM 1266 OE1 GLN B1596 -10.720 31.083 7.676 1.00 0.00 O ATOM 1267 NE2 GLN B1596 -10.826 32.556 9.361 1.00 0.00 N ATOM 1268 OXT GLN B1596 -16.324 28.960 10.972 1.00 0.00 O ATOM 0 H GLN B1596 -14.372 28.029 8.548 1.00 0.00 H new ATOM 0 HA GLN B1596 -13.753 29.190 11.194 1.00 0.00 H new ATOM 0 HB2 GLN B1596 -13.592 30.553 8.482 1.00 0.00 H new ATOM 0 HB3 GLN B1596 -13.664 31.419 10.005 1.00 0.00 H new ATOM 0 HG2 GLN B1596 -11.549 30.516 10.723 1.00 0.00 H new ATOM 0 HG3 GLN B1596 -11.518 29.363 9.403 1.00 0.00 H new ATOM 0 HE21 GLN B1596 -11.134 32.758 10.312 1.00 0.00 H new ATOM 0 HE22 GLN B1596 -10.328 33.266 8.825 1.00 0.00 H new TER 1277 GLN B1596