USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=16 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 Single : A1073 LYS NZ :NH3+ 178:sc= 0.998 (180deg=0.961) USER MOD Single : A1074 THR OG1 : rot 138:sc= 1.53 USER MOD Single : A1076 TYR OH : rot -24:sc= -1.03 USER MOD Single : A1078 CYS SG : rot 105:sc= -1.39 USER MOD Single : A1079 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A1082 ASN : amide:sc= 0.241 K(o=0.24,f=-3.3!) USER MOD Single : A1087 THR OG1 : rot 180:sc= 0.872 USER MOD Single : A1097 THR OG1 : rot 180:sc= -2.15! USER MOD Single : A1102 GLN : amide:sc= -1.07 K(o=-1.1,f=0) USER MOD Single : A1108 HIS : no HD1:sc=-0.00216 X(o=-0.0022,f=-0.078) USER MOD Single : A1112 GLN : amide:sc= -0.445 K(o=-0.45,f=-3.7!) USER MOD Single : A1116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1122 SER OG : rot -134:sc= 1.4 USER MOD Single : A1125 HIS : no HD1:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A1128 SER OG : rot -58:sc= 0.136 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 178:sc= -1.03 (180deg=-1.03) USER MOD Single : B1585 THR OG1 : rot 180:sc= 0 USER MOD Single : B1586 LYS NZ :NH3+ -129:sc= 0.744 (180deg=-1.25!) USER MOD Single : B1587 SER OG : rot -118:sc= 1.3 USER MOD Single : B1588 SER OG : rot 180:sc= 0 USER MOD Single : B1590 LYS NZ :NH3+ -177:sc= 0.689 (180deg=0.685) USER MOD ----------------------------------------------------------------- ATOM 19 N ARG A1070 2.986 1.140 -0.253 1.00 0.00 N ATOM 20 CA ARG A1070 3.985 2.195 -0.278 1.00 0.00 C ATOM 21 C ARG A1070 4.414 2.532 1.142 1.00 0.00 C ATOM 22 O ARG A1070 3.641 3.078 1.925 1.00 0.00 O ATOM 23 CB ARG A1070 3.444 3.436 -0.989 1.00 0.00 C ATOM 24 CG ARG A1070 4.452 4.570 -1.085 1.00 0.00 C ATOM 25 CD ARG A1070 3.959 5.675 -2.002 1.00 0.00 C ATOM 26 NE ARG A1070 2.666 6.215 -1.578 1.00 0.00 N ATOM 27 CZ ARG A1070 1.666 6.505 -2.415 1.00 0.00 C ATOM 28 NH1 ARG A1070 1.780 6.243 -3.713 1.00 0.00 N ATOM 29 NH2 ARG A1070 0.544 7.040 -1.950 1.00 0.00 N ATOM 0 HA ARG A1070 4.854 1.843 -0.834 1.00 0.00 H new ATOM 0 HB2 ARG A1070 3.125 3.159 -1.994 1.00 0.00 H new ATOM 0 HB3 ARG A1070 2.560 3.791 -0.460 1.00 0.00 H new ATOM 0 HG2 ARG A1070 4.640 4.977 -0.091 1.00 0.00 H new ATOM 0 HG3 ARG A1070 5.401 4.184 -1.456 1.00 0.00 H new ATOM 0 HD2 ARG A1070 4.695 6.479 -2.027 1.00 0.00 H new ATOM 0 HD3 ARG A1070 3.873 5.290 -3.018 1.00 0.00 H new ATOM 0 HE ARG A1070 2.520 6.380 -0.582 1.00 0.00 H new ATOM 0 HH11 ARG A1070 2.634 5.818 -4.074 1.00 0.00 H new ATOM 0 HH12 ARG A1070 1.013 6.466 -4.348 1.00 0.00 H new ATOM 0 HH21 ARG A1070 0.445 7.230 -0.953 1.00 0.00 H new ATOM 0 HH22 ARG A1070 -0.219 7.261 -2.590 1.00 0.00 H new ATOM 43 N ARG A1071 5.650 2.198 1.463 1.00 0.00 N ATOM 44 CA ARG A1071 6.158 2.326 2.820 1.00 0.00 C ATOM 45 C ARG A1071 7.075 3.539 2.954 1.00 0.00 C ATOM 46 O ARG A1071 7.886 3.817 2.072 1.00 0.00 O ATOM 47 CB ARG A1071 6.892 1.038 3.185 1.00 0.00 C ATOM 48 CG ARG A1071 7.596 1.053 4.528 1.00 0.00 C ATOM 49 CD ARG A1071 8.087 -0.339 4.868 1.00 0.00 C ATOM 50 NE ARG A1071 9.021 -0.357 5.990 1.00 0.00 N ATOM 51 CZ ARG A1071 9.569 -1.472 6.468 1.00 0.00 C ATOM 52 NH1 ARG A1071 9.229 -2.649 5.959 1.00 0.00 N ATOM 53 NH2 ARG A1071 10.459 -1.410 7.448 1.00 0.00 N ATOM 0 H ARG A1071 6.329 1.832 0.796 1.00 0.00 H new ATOM 0 HA ARG A1071 5.327 2.481 3.508 1.00 0.00 H new ATOM 0 HB2 ARG A1071 6.176 0.216 3.178 1.00 0.00 H new ATOM 0 HB3 ARG A1071 7.628 0.826 2.410 1.00 0.00 H new ATOM 0 HG2 ARG A1071 8.436 1.748 4.501 1.00 0.00 H new ATOM 0 HG3 ARG A1071 6.915 1.407 5.302 1.00 0.00 H new ATOM 0 HD2 ARG A1071 7.232 -0.972 5.104 1.00 0.00 H new ATOM 0 HD3 ARG A1071 8.571 -0.771 3.992 1.00 0.00 H new ATOM 0 HE ARG A1071 9.266 0.530 6.430 1.00 0.00 H new ATOM 0 HH11 ARG A1071 8.548 -2.699 5.201 1.00 0.00 H new ATOM 0 HH12 ARG A1071 9.649 -3.503 6.325 1.00 0.00 H new ATOM 0 HH21 ARG A1071 10.726 -0.506 7.838 1.00 0.00 H new ATOM 0 HH22 ARG A1071 10.877 -2.266 7.812 1.00 0.00 H new ATOM 67 N VAL A1072 6.921 4.271 4.051 1.00 0.00 N ATOM 68 CA VAL A1072 7.763 5.426 4.333 1.00 0.00 C ATOM 69 C VAL A1072 8.267 5.364 5.772 1.00 0.00 C ATOM 70 O VAL A1072 7.723 4.624 6.595 1.00 0.00 O ATOM 71 CB VAL A1072 7.006 6.762 4.118 1.00 0.00 C ATOM 72 CG1 VAL A1072 6.345 6.796 2.748 1.00 0.00 C ATOM 73 CG2 VAL A1072 5.973 6.990 5.214 1.00 0.00 C ATOM 0 H VAL A1072 6.216 4.083 4.764 1.00 0.00 H new ATOM 0 HA VAL A1072 8.601 5.394 3.637 1.00 0.00 H new ATOM 0 HB VAL A1072 7.737 7.569 4.167 1.00 0.00 H new ATOM 0 HG11 VAL A1072 5.820 7.743 2.621 1.00 0.00 H new ATOM 0 HG12 VAL A1072 7.106 6.696 1.974 1.00 0.00 H new ATOM 0 HG13 VAL A1072 5.634 5.974 2.666 1.00 0.00 H new ATOM 0 HG21 VAL A1072 5.458 7.934 5.038 1.00 0.00 H new ATOM 0 HG22 VAL A1072 5.249 6.175 5.207 1.00 0.00 H new ATOM 0 HG23 VAL A1072 6.472 7.024 6.183 1.00 0.00 H new ATOM 83 N LYS A1073 9.299 6.138 6.074 1.00 0.00 N ATOM 84 CA LYS A1073 9.851 6.175 7.424 1.00 0.00 C ATOM 85 C LYS A1073 10.005 7.623 7.861 1.00 0.00 C ATOM 86 O LYS A1073 10.376 8.486 7.061 1.00 0.00 O ATOM 87 CB LYS A1073 11.201 5.439 7.468 1.00 0.00 C ATOM 88 CG LYS A1073 11.580 4.872 8.836 1.00 0.00 C ATOM 89 CD LYS A1073 12.144 5.926 9.777 1.00 0.00 C ATOM 90 CE LYS A1073 13.502 6.433 9.314 1.00 0.00 C ATOM 91 NZ LYS A1073 14.080 7.423 10.263 1.00 0.00 N ATOM 0 H LYS A1073 9.771 6.748 5.406 1.00 0.00 H new ATOM 0 HA LYS A1073 9.173 5.669 8.111 1.00 0.00 H new ATOM 0 HB2 LYS A1073 11.177 4.622 6.746 1.00 0.00 H new ATOM 0 HB3 LYS A1073 11.984 6.126 7.146 1.00 0.00 H new ATOM 0 HG2 LYS A1073 10.700 4.418 9.292 1.00 0.00 H new ATOM 0 HG3 LYS A1073 12.316 4.079 8.704 1.00 0.00 H new ATOM 0 HD2 LYS A1073 11.448 6.762 9.844 1.00 0.00 H new ATOM 0 HD3 LYS A1073 12.236 5.506 10.779 1.00 0.00 H new ATOM 0 HE2 LYS A1073 14.186 5.591 9.207 1.00 0.00 H new ATOM 0 HE3 LYS A1073 13.402 6.890 8.329 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 15.019 7.718 9.928 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 13.457 8.254 10.321 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 14.168 6.991 11.205 1.00 0.00 H new ATOM 105 N THR A1074 9.702 7.890 9.119 1.00 0.00 N ATOM 106 CA THR A1074 9.746 9.241 9.642 1.00 0.00 C ATOM 107 C THR A1074 11.179 9.658 9.949 1.00 0.00 C ATOM 108 O THR A1074 11.880 9.013 10.736 1.00 0.00 O ATOM 109 CB THR A1074 8.878 9.370 10.910 1.00 0.00 C ATOM 110 OG1 THR A1074 9.439 8.591 11.965 1.00 0.00 O ATOM 111 CG2 THR A1074 7.459 8.891 10.646 1.00 0.00 C ATOM 0 H THR A1074 9.422 7.184 9.799 1.00 0.00 H new ATOM 0 HA THR A1074 9.345 9.905 8.876 1.00 0.00 H new ATOM 0 HB THR A1074 8.852 10.422 11.195 1.00 0.00 H new ATOM 0 HG1 THR A1074 9.398 9.097 12.803 1.00 0.00 H new ATOM 0 HG21 THR A1074 6.866 8.992 11.555 1.00 0.00 H new ATOM 0 HG22 THR A1074 7.013 9.492 9.854 1.00 0.00 H new ATOM 0 HG23 THR A1074 7.479 7.845 10.340 1.00 0.00 H new ATOM 119 N ILE A1075 11.614 10.731 9.310 1.00 0.00 N ATOM 120 CA ILE A1075 12.961 11.238 9.507 1.00 0.00 C ATOM 121 C ILE A1075 12.945 12.397 10.486 1.00 0.00 C ATOM 122 O ILE A1075 13.988 12.890 10.920 1.00 0.00 O ATOM 123 CB ILE A1075 13.606 11.686 8.181 1.00 0.00 C ATOM 124 CG1 ILE A1075 12.653 12.564 7.369 1.00 0.00 C ATOM 125 CG2 ILE A1075 14.040 10.479 7.369 1.00 0.00 C ATOM 126 CD1 ILE A1075 13.308 13.218 6.170 1.00 0.00 C ATOM 0 H ILE A1075 11.053 11.268 8.649 1.00 0.00 H new ATOM 0 HA ILE A1075 13.561 10.423 9.912 1.00 0.00 H new ATOM 0 HB ILE A1075 14.487 12.282 8.420 1.00 0.00 H new ATOM 0 HG12 ILE A1075 11.814 11.957 7.029 1.00 0.00 H new ATOM 0 HG13 ILE A1075 12.244 13.339 8.017 1.00 0.00 H new ATOM 0 HG21 ILE A1075 14.494 10.812 6.436 1.00 0.00 H new ATOM 0 HG22 ILE A1075 14.766 9.899 7.939 1.00 0.00 H new ATOM 0 HG23 ILE A1075 13.172 9.857 7.149 1.00 0.00 H new ATOM 0 HD11 ILE A1075 12.574 13.825 5.641 1.00 0.00 H new ATOM 0 HD12 ILE A1075 14.130 13.851 6.505 1.00 0.00 H new ATOM 0 HD13 ILE A1075 13.693 12.448 5.501 1.00 0.00 H new ATOM 138 N TYR A1076 11.741 12.819 10.822 1.00 0.00 N ATOM 139 CA TYR A1076 11.528 13.872 11.794 1.00 0.00 C ATOM 140 C TYR A1076 10.389 13.505 12.721 1.00 0.00 C ATOM 141 O TYR A1076 9.743 12.466 12.556 1.00 0.00 O ATOM 142 CB TYR A1076 11.163 15.185 11.105 1.00 0.00 C ATOM 143 CG TYR A1076 12.250 15.808 10.270 1.00 0.00 C ATOM 144 CD1 TYR A1076 13.166 16.672 10.838 1.00 0.00 C ATOM 145 CD2 TYR A1076 12.334 15.566 8.907 1.00 0.00 C ATOM 146 CE1 TYR A1076 14.135 17.286 10.068 1.00 0.00 C ATOM 147 CE2 TYR A1076 13.304 16.163 8.131 1.00 0.00 C ATOM 148 CZ TYR A1076 14.199 17.026 8.711 1.00 0.00 C ATOM 149 OH TYR A1076 15.153 17.642 7.929 1.00 0.00 O ATOM 0 H TYR A1076 10.881 12.439 10.427 1.00 0.00 H new ATOM 0 HA TYR A1076 12.455 13.992 12.354 1.00 0.00 H new ATOM 0 HB2 TYR A1076 10.296 15.011 10.468 1.00 0.00 H new ATOM 0 HB3 TYR A1076 10.860 15.902 11.868 1.00 0.00 H new ATOM 0 HD1 TYR A1076 13.124 16.870 11.899 1.00 0.00 H new ATOM 0 HD2 TYR A1076 11.625 14.896 8.444 1.00 0.00 H new ATOM 0 HE1 TYR A1076 14.839 17.966 10.524 1.00 0.00 H new ATOM 0 HE2 TYR A1076 13.359 15.953 7.073 1.00 0.00 H new ATOM 0 HH TYR A1076 15.440 18.475 8.358 1.00 0.00 H new ATOM 159 N ASP A1077 10.143 14.373 13.685 1.00 0.00 N ATOM 160 CA ASP A1077 8.999 14.236 14.567 1.00 0.00 C ATOM 161 C ASP A1077 8.031 15.387 14.323 1.00 0.00 C ATOM 162 O ASP A1077 8.424 16.553 14.279 1.00 0.00 O ATOM 163 CB ASP A1077 9.437 14.182 16.039 1.00 0.00 C ATOM 164 CG ASP A1077 10.066 15.471 16.531 1.00 0.00 C ATOM 165 OD1 ASP A1077 11.185 15.802 16.086 1.00 0.00 O ATOM 166 OD2 ASP A1077 9.451 16.147 17.385 1.00 0.00 O ATOM 0 H ASP A1077 10.726 15.187 13.878 1.00 0.00 H new ATOM 0 HA ASP A1077 8.493 13.296 14.348 1.00 0.00 H new ATOM 0 HB2 ASP A1077 8.571 13.950 16.659 1.00 0.00 H new ATOM 0 HB3 ASP A1077 10.149 13.367 16.168 1.00 0.00 H new ATOM 171 N CYS A1078 6.772 15.053 14.138 1.00 0.00 N ATOM 172 CA CYS A1078 5.763 16.045 13.810 1.00 0.00 C ATOM 173 C CYS A1078 4.520 15.821 14.644 1.00 0.00 C ATOM 174 O CYS A1078 4.225 14.694 15.042 1.00 0.00 O ATOM 175 CB CYS A1078 5.399 15.977 12.327 1.00 0.00 C ATOM 176 SG CYS A1078 4.266 17.279 11.780 1.00 0.00 S ATOM 0 H CYS A1078 6.419 14.099 14.209 1.00 0.00 H new ATOM 0 HA CYS A1078 6.174 17.031 14.028 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.314 16.035 11.737 1.00 0.00 H new ATOM 0 HB3 CYS A1078 4.947 15.007 12.119 1.00 0.00 H new ATOM 0 HG CYS A1078 4.923 18.166 11.093 1.00 0.00 H new ATOM 182 N GLN A1079 3.793 16.889 14.899 1.00 0.00 N ATOM 183 CA GLN A1079 2.552 16.794 15.653 1.00 0.00 C ATOM 184 C GLN A1079 1.402 17.420 14.883 1.00 0.00 C ATOM 185 O GLN A1079 1.574 18.411 14.169 1.00 0.00 O ATOM 186 CB GLN A1079 2.707 17.441 17.026 1.00 0.00 C ATOM 187 CG GLN A1079 1.441 17.421 17.871 1.00 0.00 C ATOM 188 CD GLN A1079 1.631 18.086 19.218 1.00 0.00 C ATOM 189 OE1 GLN A1079 2.729 18.095 19.773 1.00 0.00 O ATOM 190 NE2 GLN A1079 0.560 18.638 19.761 1.00 0.00 N ATOM 0 H GLN A1079 4.036 17.833 14.598 1.00 0.00 H new ATOM 0 HA GLN A1079 2.321 15.739 15.799 1.00 0.00 H new ATOM 0 HB2 GLN A1079 3.501 16.929 17.569 1.00 0.00 H new ATOM 0 HB3 GLN A1079 3.026 18.475 16.894 1.00 0.00 H new ATOM 0 HG2 GLN A1079 0.640 17.925 17.331 1.00 0.00 H new ATOM 0 HG3 GLN A1079 1.124 16.389 18.021 1.00 0.00 H new ATOM 0 HE21 GLN A1079 -0.333 18.610 19.269 1.00 0.00 H new ATOM 0 HE22 GLN A1079 0.627 19.092 20.672 1.00 0.00 H new ATOM 199 N ALA A1080 0.241 16.805 15.030 1.00 0.00 N ATOM 200 CA ALA A1080 -0.971 17.217 14.338 1.00 0.00 C ATOM 201 C ALA A1080 -1.581 18.474 14.948 1.00 0.00 C ATOM 202 O ALA A1080 -1.460 18.720 16.150 1.00 0.00 O ATOM 203 CB ALA A1080 -1.982 16.085 14.398 1.00 0.00 C ATOM 0 H ALA A1080 0.111 15.997 15.639 1.00 0.00 H new ATOM 0 HA ALA A1080 -0.708 17.447 13.305 1.00 0.00 H new ATOM 0 HB1 ALA A1080 -2.894 16.384 13.882 1.00 0.00 H new ATOM 0 HB2 ALA A1080 -1.566 15.200 13.916 1.00 0.00 H new ATOM 0 HB3 ALA A1080 -2.212 15.857 15.439 1.00 0.00 H new ATOM 209 N ASP A1081 -2.237 19.262 14.104 1.00 0.00 N ATOM 210 CA ASP A1081 -3.028 20.403 14.551 1.00 0.00 C ATOM 211 C ASP A1081 -4.471 19.973 14.645 1.00 0.00 C ATOM 212 O ASP A1081 -5.172 20.237 15.628 1.00 0.00 O ATOM 213 CB ASP A1081 -2.961 21.564 13.553 1.00 0.00 C ATOM 214 CG ASP A1081 -1.561 22.077 13.317 1.00 0.00 C ATOM 215 OD1 ASP A1081 -0.849 22.366 14.300 1.00 0.00 O ATOM 216 OD2 ASP A1081 -1.160 22.205 12.141 1.00 0.00 O ATOM 0 H ASP A1081 -2.236 19.129 13.093 1.00 0.00 H new ATOM 0 HA ASP A1081 -2.631 20.735 15.510 1.00 0.00 H new ATOM 0 HB2 ASP A1081 -3.386 21.240 12.603 1.00 0.00 H new ATOM 0 HB3 ASP A1081 -3.582 22.382 13.918 1.00 0.00 H new ATOM 221 N ASN A1082 -4.894 19.306 13.592 1.00 0.00 N ATOM 222 CA ASN A1082 -6.266 18.893 13.430 1.00 0.00 C ATOM 223 C ASN A1082 -6.401 17.398 13.697 1.00 0.00 C ATOM 224 O ASN A1082 -5.453 16.630 13.532 1.00 0.00 O ATOM 225 CB ASN A1082 -6.714 19.254 12.015 1.00 0.00 C ATOM 226 CG ASN A1082 -8.169 18.957 11.743 1.00 0.00 C ATOM 227 OD1 ASN A1082 -9.003 18.938 12.649 1.00 0.00 O ATOM 228 ND2 ASN A1082 -8.480 18.743 10.482 1.00 0.00 N ATOM 0 H ASN A1082 -4.287 19.034 12.819 1.00 0.00 H new ATOM 0 HA ASN A1082 -6.906 19.407 14.147 1.00 0.00 H new ATOM 0 HB2 ASN A1082 -6.531 20.315 11.846 1.00 0.00 H new ATOM 0 HB3 ASN A1082 -6.101 18.707 11.299 1.00 0.00 H new ATOM 0 HD21 ASN A1082 -9.447 18.551 10.221 1.00 0.00 H new ATOM 0 HD22 ASN A1082 -7.754 18.769 9.766 1.00 0.00 H new ATOM 235 N ASP A1083 -7.600 17.010 14.106 1.00 0.00 N ATOM 236 CA ASP A1083 -7.875 15.686 14.665 1.00 0.00 C ATOM 237 C ASP A1083 -7.511 14.540 13.717 1.00 0.00 C ATOM 238 O ASP A1083 -7.191 13.441 14.169 1.00 0.00 O ATOM 239 CB ASP A1083 -9.356 15.602 15.035 1.00 0.00 C ATOM 240 CG ASP A1083 -9.742 14.286 15.678 1.00 0.00 C ATOM 241 OD1 ASP A1083 -10.086 13.338 14.944 1.00 0.00 O ATOM 242 OD2 ASP A1083 -9.731 14.200 16.925 1.00 0.00 O ATOM 0 H ASP A1083 -8.423 17.611 14.060 1.00 0.00 H new ATOM 0 HA ASP A1083 -7.245 15.568 15.546 1.00 0.00 H new ATOM 0 HB2 ASP A1083 -9.599 16.416 15.718 1.00 0.00 H new ATOM 0 HB3 ASP A1083 -9.956 15.749 14.137 1.00 0.00 H new ATOM 247 N ASP A1084 -7.549 14.797 12.414 1.00 0.00 N ATOM 248 CA ASP A1084 -7.316 13.746 11.422 1.00 0.00 C ATOM 249 C ASP A1084 -5.895 13.777 10.860 1.00 0.00 C ATOM 250 O ASP A1084 -5.600 13.098 9.872 1.00 0.00 O ATOM 251 CB ASP A1084 -8.337 13.835 10.277 1.00 0.00 C ATOM 252 CG ASP A1084 -8.511 15.242 9.741 1.00 0.00 C ATOM 253 OD1 ASP A1084 -7.604 15.742 9.040 1.00 0.00 O ATOM 254 OD2 ASP A1084 -9.564 15.854 10.034 1.00 0.00 O ATOM 0 H ASP A1084 -7.738 15.718 12.019 1.00 0.00 H new ATOM 0 HA ASP A1084 -7.443 12.796 11.941 1.00 0.00 H new ATOM 0 HB2 ASP A1084 -8.021 13.180 9.465 1.00 0.00 H new ATOM 0 HB3 ASP A1084 -9.300 13.465 10.628 1.00 0.00 H new ATOM 259 N GLU A1085 -5.011 14.542 11.488 1.00 0.00 N ATOM 260 CA GLU A1085 -3.612 14.579 11.071 1.00 0.00 C ATOM 261 C GLU A1085 -2.791 13.618 11.931 1.00 0.00 C ATOM 262 O GLU A1085 -3.247 13.182 12.988 1.00 0.00 O ATOM 263 CB GLU A1085 -3.056 16.005 11.156 1.00 0.00 C ATOM 264 CG GLU A1085 -3.902 17.022 10.409 1.00 0.00 C ATOM 265 CD GLU A1085 -3.311 18.416 10.422 1.00 0.00 C ATOM 266 OE1 GLU A1085 -3.112 18.968 11.520 1.00 0.00 O ATOM 267 OE2 GLU A1085 -3.053 18.964 9.329 1.00 0.00 O ATOM 0 H GLU A1085 -5.234 15.142 12.282 1.00 0.00 H new ATOM 0 HA GLU A1085 -3.545 14.261 10.031 1.00 0.00 H new ATOM 0 HB2 GLU A1085 -2.986 16.299 12.203 1.00 0.00 H new ATOM 0 HB3 GLU A1085 -2.043 16.018 10.753 1.00 0.00 H new ATOM 0 HG2 GLU A1085 -4.023 16.696 9.376 1.00 0.00 H new ATOM 0 HG3 GLU A1085 -4.897 17.052 10.852 1.00 0.00 H new ATOM 274 N LEU A1086 -1.593 13.282 11.475 1.00 0.00 N ATOM 275 CA LEU A1086 -0.788 12.259 12.132 1.00 0.00 C ATOM 276 C LEU A1086 0.341 12.873 12.957 1.00 0.00 C ATOM 277 O LEU A1086 1.168 13.625 12.437 1.00 0.00 O ATOM 278 CB LEU A1086 -0.186 11.310 11.090 1.00 0.00 C ATOM 279 CG LEU A1086 0.437 10.029 11.655 1.00 0.00 C ATOM 280 CD1 LEU A1086 -0.635 9.000 11.957 1.00 0.00 C ATOM 281 CD2 LEU A1086 1.454 9.454 10.690 1.00 0.00 C ATOM 0 H LEU A1086 -1.156 13.701 10.654 1.00 0.00 H new ATOM 0 HA LEU A1086 -1.447 11.708 12.803 1.00 0.00 H new ATOM 0 HB2 LEU A1086 -0.966 11.033 10.381 1.00 0.00 H new ATOM 0 HB3 LEU A1086 0.577 11.849 10.529 1.00 0.00 H new ATOM 0 HG LEU A1086 0.947 10.285 12.584 1.00 0.00 H new ATOM 0 HD11 LEU A1086 -0.171 8.098 12.357 1.00 0.00 H new ATOM 0 HD12 LEU A1086 -1.332 9.405 12.690 1.00 0.00 H new ATOM 0 HD13 LEU A1086 -1.173 8.756 11.041 1.00 0.00 H new ATOM 0 HD21 LEU A1086 1.883 8.545 11.112 1.00 0.00 H new ATOM 0 HD22 LEU A1086 0.966 9.219 9.744 1.00 0.00 H new ATOM 0 HD23 LEU A1086 2.246 10.183 10.519 1.00 0.00 H new ATOM 293 N THR A1087 0.367 12.547 14.241 1.00 0.00 N ATOM 294 CA THR A1087 1.492 12.896 15.095 1.00 0.00 C ATOM 295 C THR A1087 2.465 11.718 15.150 1.00 0.00 C ATOM 296 O THR A1087 2.118 10.634 15.621 1.00 0.00 O ATOM 297 CB THR A1087 1.038 13.268 16.527 1.00 0.00 C ATOM 298 OG1 THR A1087 0.104 14.357 16.486 1.00 0.00 O ATOM 299 CG2 THR A1087 2.227 13.644 17.404 1.00 0.00 C ATOM 0 H THR A1087 -0.380 12.040 14.715 1.00 0.00 H new ATOM 0 HA THR A1087 1.981 13.772 14.669 1.00 0.00 H new ATOM 0 HB THR A1087 0.554 12.392 16.960 1.00 0.00 H new ATOM 0 HG1 THR A1087 -0.177 14.582 17.398 1.00 0.00 H new ATOM 0 HG21 THR A1087 1.875 13.900 18.403 1.00 0.00 H new ATOM 0 HG22 THR A1087 2.914 12.800 17.466 1.00 0.00 H new ATOM 0 HG23 THR A1087 2.743 14.501 16.970 1.00 0.00 H new ATOM 307 N PHE A1088 3.673 11.933 14.654 1.00 0.00 N ATOM 308 CA PHE A1088 4.666 10.866 14.559 1.00 0.00 C ATOM 309 C PHE A1088 6.032 11.367 15.005 1.00 0.00 C ATOM 310 O PHE A1088 6.321 12.554 14.901 1.00 0.00 O ATOM 311 CB PHE A1088 4.746 10.327 13.119 1.00 0.00 C ATOM 312 CG PHE A1088 5.031 11.379 12.072 1.00 0.00 C ATOM 313 CD1 PHE A1088 6.331 11.780 11.798 1.00 0.00 C ATOM 314 CD2 PHE A1088 3.998 11.965 11.360 1.00 0.00 C ATOM 315 CE1 PHE A1088 6.591 12.738 10.842 1.00 0.00 C ATOM 316 CE2 PHE A1088 4.255 12.924 10.405 1.00 0.00 C ATOM 317 CZ PHE A1088 5.551 13.310 10.144 1.00 0.00 C ATOM 0 H PHE A1088 3.994 12.838 14.309 1.00 0.00 H new ATOM 0 HA PHE A1088 4.358 10.055 15.219 1.00 0.00 H new ATOM 0 HB2 PHE A1088 5.524 9.565 13.072 1.00 0.00 H new ATOM 0 HB3 PHE A1088 3.804 9.836 12.875 1.00 0.00 H new ATOM 0 HD1 PHE A1088 7.151 11.335 12.342 1.00 0.00 H new ATOM 0 HD2 PHE A1088 2.979 11.667 11.556 1.00 0.00 H new ATOM 0 HE1 PHE A1088 7.608 13.039 10.641 1.00 0.00 H new ATOM 0 HE2 PHE A1088 3.439 13.374 9.860 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.751 14.060 9.393 1.00 0.00 H new ATOM 327 N ILE A1089 6.866 10.470 15.507 1.00 0.00 N ATOM 328 CA ILE A1089 8.216 10.845 15.904 1.00 0.00 C ATOM 329 C ILE A1089 9.235 10.102 15.060 1.00 0.00 C ATOM 330 O ILE A1089 8.917 9.079 14.452 1.00 0.00 O ATOM 331 CB ILE A1089 8.507 10.613 17.414 1.00 0.00 C ATOM 332 CG1 ILE A1089 8.690 9.119 17.749 1.00 0.00 C ATOM 333 CG2 ILE A1089 7.400 11.223 18.263 1.00 0.00 C ATOM 334 CD1 ILE A1089 7.455 8.270 17.546 1.00 0.00 C ATOM 0 H ILE A1089 6.636 9.486 15.649 1.00 0.00 H new ATOM 0 HA ILE A1089 8.298 11.919 15.734 1.00 0.00 H new ATOM 0 HB ILE A1089 9.449 11.109 17.646 1.00 0.00 H new ATOM 0 HG12 ILE A1089 9.495 8.718 17.133 1.00 0.00 H new ATOM 0 HG13 ILE A1089 9.009 9.030 18.787 1.00 0.00 H new ATOM 0 HG21 ILE A1089 7.615 11.054 19.318 1.00 0.00 H new ATOM 0 HG22 ILE A1089 7.343 12.295 18.072 1.00 0.00 H new ATOM 0 HG23 ILE A1089 6.448 10.758 18.008 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.678 7.235 17.806 1.00 0.00 H new ATOM 0 HD12 ILE A1089 6.651 8.639 18.183 1.00 0.00 H new ATOM 0 HD13 ILE A1089 7.145 8.323 16.502 1.00 0.00 H new ATOM 346 N GLU A1090 10.446 10.641 15.006 1.00 0.00 N ATOM 347 CA GLU A1090 11.512 10.077 14.191 1.00 0.00 C ATOM 348 C GLU A1090 11.758 8.612 14.551 1.00 0.00 C ATOM 349 O GLU A1090 12.019 8.280 15.711 1.00 0.00 O ATOM 350 CB GLU A1090 12.796 10.896 14.367 1.00 0.00 C ATOM 351 CG GLU A1090 13.893 10.571 13.359 1.00 0.00 C ATOM 352 CD GLU A1090 14.607 9.262 13.630 1.00 0.00 C ATOM 353 OE1 GLU A1090 15.232 9.126 14.704 1.00 0.00 O ATOM 354 OE2 GLU A1090 14.557 8.362 12.770 1.00 0.00 O ATOM 0 H GLU A1090 10.715 11.478 15.524 1.00 0.00 H new ATOM 0 HA GLU A1090 11.206 10.119 13.146 1.00 0.00 H new ATOM 0 HB2 GLU A1090 12.550 11.955 14.290 1.00 0.00 H new ATOM 0 HB3 GLU A1090 13.183 10.731 15.373 1.00 0.00 H new ATOM 0 HG2 GLU A1090 13.457 10.536 12.361 1.00 0.00 H new ATOM 0 HG3 GLU A1090 14.624 11.379 13.359 1.00 0.00 H new ATOM 361 N GLY A1091 11.675 7.744 13.550 1.00 0.00 N ATOM 362 CA GLY A1091 11.897 6.330 13.773 1.00 0.00 C ATOM 363 C GLY A1091 10.663 5.504 13.494 1.00 0.00 C ATOM 364 O GLY A1091 10.729 4.274 13.430 1.00 0.00 O ATOM 0 H GLY A1091 11.457 7.996 12.586 1.00 0.00 H new ATOM 0 HA2 GLY A1091 12.712 5.988 13.136 1.00 0.00 H new ATOM 0 HA3 GLY A1091 12.211 6.172 14.805 1.00 0.00 H new ATOM 368 N GLU A1092 9.536 6.176 13.320 1.00 0.00 N ATOM 369 CA GLU A1092 8.286 5.499 13.013 1.00 0.00 C ATOM 370 C GLU A1092 8.230 5.108 11.546 1.00 0.00 C ATOM 371 O GLU A1092 8.860 5.734 10.691 1.00 0.00 O ATOM 372 CB GLU A1092 7.083 6.376 13.367 1.00 0.00 C ATOM 373 CG GLU A1092 6.711 6.340 14.837 1.00 0.00 C ATOM 374 CD GLU A1092 6.207 4.987 15.309 1.00 0.00 C ATOM 375 OE1 GLU A1092 6.930 3.982 15.143 1.00 0.00 O ATOM 376 OE2 GLU A1092 5.099 4.931 15.886 1.00 0.00 O ATOM 0 H GLU A1092 9.461 7.191 13.386 1.00 0.00 H new ATOM 0 HA GLU A1092 8.244 4.594 13.619 1.00 0.00 H new ATOM 0 HB2 GLU A1092 7.299 7.406 13.082 1.00 0.00 H new ATOM 0 HB3 GLU A1092 6.225 6.055 12.777 1.00 0.00 H new ATOM 0 HG2 GLU A1092 7.582 6.620 15.430 1.00 0.00 H new ATOM 0 HG3 GLU A1092 5.943 7.090 15.026 1.00 0.00 H new ATOM 383 N VAL A1093 7.471 4.067 11.267 1.00 0.00 N ATOM 384 CA VAL A1093 7.309 3.572 9.908 1.00 0.00 C ATOM 385 C VAL A1093 5.844 3.658 9.519 1.00 0.00 C ATOM 386 O VAL A1093 4.976 3.256 10.288 1.00 0.00 O ATOM 387 CB VAL A1093 7.797 2.112 9.762 1.00 0.00 C ATOM 388 CG1 VAL A1093 7.635 1.623 8.328 1.00 0.00 C ATOM 389 CG2 VAL A1093 9.245 1.985 10.205 1.00 0.00 C ATOM 0 H VAL A1093 6.951 3.541 11.969 1.00 0.00 H new ATOM 0 HA VAL A1093 7.917 4.191 9.249 1.00 0.00 H new ATOM 0 HB VAL A1093 7.181 1.485 10.407 1.00 0.00 H new ATOM 0 HG11 VAL A1093 7.986 0.594 8.253 1.00 0.00 H new ATOM 0 HG12 VAL A1093 6.584 1.670 8.044 1.00 0.00 H new ATOM 0 HG13 VAL A1093 8.220 2.255 7.660 1.00 0.00 H new ATOM 0 HG21 VAL A1093 9.570 0.950 10.095 1.00 0.00 H new ATOM 0 HG22 VAL A1093 9.872 2.630 9.589 1.00 0.00 H new ATOM 0 HG23 VAL A1093 9.333 2.284 11.250 1.00 0.00 H new ATOM 399 N ILE A1094 5.567 4.188 8.341 1.00 0.00 N ATOM 400 CA ILE A1094 4.192 4.415 7.928 1.00 0.00 C ATOM 401 C ILE A1094 3.898 3.732 6.598 1.00 0.00 C ATOM 402 O ILE A1094 4.687 3.810 5.655 1.00 0.00 O ATOM 403 CB ILE A1094 3.883 5.920 7.789 1.00 0.00 C ATOM 404 CG1 ILE A1094 4.423 6.699 8.993 1.00 0.00 C ATOM 405 CG2 ILE A1094 2.383 6.134 7.654 1.00 0.00 C ATOM 406 CD1 ILE A1094 4.289 8.201 8.855 1.00 0.00 C ATOM 0 H ILE A1094 6.270 4.468 7.657 1.00 0.00 H new ATOM 0 HA ILE A1094 3.558 3.989 8.706 1.00 0.00 H new ATOM 0 HB ILE A1094 4.377 6.292 6.892 1.00 0.00 H new ATOM 0 HG12 ILE A1094 3.894 6.377 9.890 1.00 0.00 H new ATOM 0 HG13 ILE A1094 5.474 6.448 9.135 1.00 0.00 H new ATOM 0 HG21 ILE A1094 2.175 7.199 7.556 1.00 0.00 H new ATOM 0 HG22 ILE A1094 2.019 5.611 6.770 1.00 0.00 H new ATOM 0 HG23 ILE A1094 1.879 5.745 8.539 1.00 0.00 H new ATOM 0 HD11 ILE A1094 4.692 8.685 9.744 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.841 8.536 7.977 1.00 0.00 H new ATOM 0 HD13 ILE A1094 3.237 8.464 8.744 1.00 0.00 H new ATOM 418 N ILE A1095 2.770 3.048 6.538 1.00 0.00 N ATOM 419 CA ILE A1095 2.282 2.490 5.294 1.00 0.00 C ATOM 420 C ILE A1095 1.280 3.465 4.681 1.00 0.00 C ATOM 421 O ILE A1095 0.211 3.707 5.250 1.00 0.00 O ATOM 422 CB ILE A1095 1.605 1.117 5.504 1.00 0.00 C ATOM 423 CG1 ILE A1095 2.578 0.132 6.168 1.00 0.00 C ATOM 424 CG2 ILE A1095 1.101 0.560 4.178 1.00 0.00 C ATOM 425 CD1 ILE A1095 3.830 -0.141 5.355 1.00 0.00 C ATOM 0 H ILE A1095 2.172 2.866 7.344 1.00 0.00 H new ATOM 0 HA ILE A1095 3.132 2.338 4.628 1.00 0.00 H new ATOM 0 HB ILE A1095 0.750 1.254 6.166 1.00 0.00 H new ATOM 0 HG12 ILE A1095 2.868 0.525 7.142 1.00 0.00 H new ATOM 0 HG13 ILE A1095 2.060 -0.810 6.346 1.00 0.00 H new ATOM 0 HG21 ILE A1095 0.627 -0.407 4.346 1.00 0.00 H new ATOM 0 HG22 ILE A1095 0.375 1.249 3.746 1.00 0.00 H new ATOM 0 HG23 ILE A1095 1.939 0.439 3.492 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.466 -0.846 5.891 1.00 0.00 H new ATOM 0 HD12 ILE A1095 3.552 -0.565 4.390 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.373 0.791 5.199 1.00 0.00 H new ATOM 437 N VAL A1096 1.639 4.043 3.544 1.00 0.00 N ATOM 438 CA VAL A1096 0.812 5.055 2.907 1.00 0.00 C ATOM 439 C VAL A1096 -0.380 4.410 2.204 1.00 0.00 C ATOM 440 O VAL A1096 -0.213 3.646 1.251 1.00 0.00 O ATOM 441 CB VAL A1096 1.615 5.887 1.884 1.00 0.00 C ATOM 442 CG1 VAL A1096 0.774 7.030 1.346 1.00 0.00 C ATOM 443 CG2 VAL A1096 2.899 6.419 2.500 1.00 0.00 C ATOM 0 H VAL A1096 2.501 3.827 3.043 1.00 0.00 H new ATOM 0 HA VAL A1096 0.458 5.721 3.694 1.00 0.00 H new ATOM 0 HB VAL A1096 1.882 5.231 1.055 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.358 7.604 0.627 1.00 0.00 H new ATOM 0 HG12 VAL A1096 -0.113 6.629 0.856 1.00 0.00 H new ATOM 0 HG13 VAL A1096 0.472 7.678 2.169 1.00 0.00 H new ATOM 0 HG21 VAL A1096 3.445 7.001 1.758 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.658 7.053 3.353 1.00 0.00 H new ATOM 0 HG23 VAL A1096 3.516 5.584 2.832 1.00 0.00 H new ATOM 453 N THR A1097 -1.575 4.716 2.683 1.00 0.00 N ATOM 454 CA THR A1097 -2.795 4.189 2.102 1.00 0.00 C ATOM 455 C THR A1097 -3.422 5.190 1.137 1.00 0.00 C ATOM 456 O THR A1097 -4.136 4.808 0.208 1.00 0.00 O ATOM 457 CB THR A1097 -3.809 3.831 3.201 1.00 0.00 C ATOM 458 OG1 THR A1097 -3.802 4.845 4.219 1.00 0.00 O ATOM 459 CG2 THR A1097 -3.483 2.480 3.817 1.00 0.00 C ATOM 0 H THR A1097 -1.724 5.333 3.481 1.00 0.00 H new ATOM 0 HA THR A1097 -2.532 3.287 1.549 1.00 0.00 H new ATOM 0 HB THR A1097 -4.800 3.775 2.751 1.00 0.00 H new ATOM 0 HG1 THR A1097 -4.451 4.613 4.916 1.00 0.00 H new ATOM 0 HG21 THR A1097 -4.214 2.248 4.592 1.00 0.00 H new ATOM 0 HG22 THR A1097 -3.515 1.711 3.045 1.00 0.00 H new ATOM 0 HG23 THR A1097 -2.486 2.511 4.256 1.00 0.00 H new ATOM 467 N GLY A1098 -3.145 6.469 1.355 1.00 0.00 N ATOM 468 CA GLY A1098 -3.725 7.501 0.526 1.00 0.00 C ATOM 469 C GLY A1098 -2.869 8.749 0.465 1.00 0.00 C ATOM 470 O GLY A1098 -1.743 8.768 0.957 1.00 0.00 O ATOM 0 H GLY A1098 -2.528 6.808 2.093 1.00 0.00 H new ATOM 0 HA2 GLY A1098 -3.868 7.114 -0.483 1.00 0.00 H new ATOM 0 HA3 GLY A1098 -4.711 7.760 0.911 1.00 0.00 H new ATOM 474 N GLU A1099 -3.420 9.790 -0.126 1.00 0.00 N ATOM 475 CA GLU A1099 -2.732 11.053 -0.308 1.00 0.00 C ATOM 476 C GLU A1099 -3.778 12.140 -0.470 1.00 0.00 C ATOM 477 O GLU A1099 -4.749 11.957 -1.207 1.00 0.00 O ATOM 478 CB GLU A1099 -1.805 10.975 -1.534 1.00 0.00 C ATOM 479 CG GLU A1099 -1.257 12.311 -2.014 1.00 0.00 C ATOM 480 CD GLU A1099 -2.050 12.897 -3.166 1.00 0.00 C ATOM 481 OE1 GLU A1099 -1.816 12.487 -4.323 1.00 0.00 O ATOM 482 OE2 GLU A1099 -2.905 13.768 -2.928 1.00 0.00 O ATOM 0 H GLU A1099 -4.370 9.783 -0.498 1.00 0.00 H new ATOM 0 HA GLU A1099 -2.108 11.281 0.556 1.00 0.00 H new ATOM 0 HB2 GLU A1099 -0.967 10.321 -1.295 1.00 0.00 H new ATOM 0 HB3 GLU A1099 -2.351 10.508 -2.354 1.00 0.00 H new ATOM 0 HG2 GLU A1099 -1.257 13.017 -1.184 1.00 0.00 H new ATOM 0 HG3 GLU A1099 -0.220 12.182 -2.323 1.00 0.00 H new ATOM 489 N GLU A1100 -3.601 13.248 0.227 1.00 0.00 N ATOM 490 CA GLU A1100 -4.574 14.330 0.169 1.00 0.00 C ATOM 491 C GLU A1100 -3.926 15.562 -0.424 1.00 0.00 C ATOM 492 O GLU A1100 -4.556 16.335 -1.148 1.00 0.00 O ATOM 493 CB GLU A1100 -5.130 14.659 1.559 1.00 0.00 C ATOM 494 CG GLU A1100 -6.249 15.688 1.523 1.00 0.00 C ATOM 495 CD GLU A1100 -6.629 16.214 2.890 1.00 0.00 C ATOM 496 OE1 GLU A1100 -7.478 15.593 3.560 1.00 0.00 O ATOM 497 OE2 GLU A1100 -6.095 17.269 3.293 1.00 0.00 O ATOM 0 H GLU A1100 -2.801 13.424 0.835 1.00 0.00 H new ATOM 0 HA GLU A1100 -5.404 14.006 -0.459 1.00 0.00 H new ATOM 0 HB2 GLU A1100 -5.500 13.744 2.022 1.00 0.00 H new ATOM 0 HB3 GLU A1100 -4.322 15.031 2.189 1.00 0.00 H new ATOM 0 HG2 GLU A1100 -5.944 16.523 0.893 1.00 0.00 H new ATOM 0 HG3 GLU A1100 -7.127 15.242 1.057 1.00 0.00 H new ATOM 504 N ASP A1101 -2.657 15.722 -0.116 1.00 0.00 N ATOM 505 CA ASP A1101 -1.891 16.854 -0.575 1.00 0.00 C ATOM 506 C ASP A1101 -0.589 16.350 -1.175 1.00 0.00 C ATOM 507 O ASP A1101 -0.281 15.165 -1.067 1.00 0.00 O ATOM 508 CB ASP A1101 -1.610 17.796 0.599 1.00 0.00 C ATOM 509 CG ASP A1101 -1.123 19.159 0.170 1.00 0.00 C ATOM 510 OD1 ASP A1101 0.093 19.317 -0.053 1.00 0.00 O ATOM 511 OD2 ASP A1101 -1.961 20.076 0.068 1.00 0.00 O ATOM 0 H ASP A1101 -2.129 15.068 0.461 1.00 0.00 H new ATOM 0 HA ASP A1101 -2.449 17.404 -1.332 1.00 0.00 H new ATOM 0 HB2 ASP A1101 -2.520 17.912 1.188 1.00 0.00 H new ATOM 0 HB3 ASP A1101 -0.864 17.340 1.251 1.00 0.00 H new ATOM 516 N GLN A1102 0.179 17.227 -1.781 1.00 0.00 N ATOM 517 CA GLN A1102 1.459 16.836 -2.341 1.00 0.00 C ATOM 518 C GLN A1102 2.418 16.515 -1.210 1.00 0.00 C ATOM 519 O GLN A1102 3.222 15.587 -1.290 1.00 0.00 O ATOM 520 CB GLN A1102 2.035 17.957 -3.208 1.00 0.00 C ATOM 521 CG GLN A1102 2.378 19.214 -2.423 1.00 0.00 C ATOM 522 CD GLN A1102 2.983 20.312 -3.278 1.00 0.00 C ATOM 523 OE1 GLN A1102 2.805 21.499 -3.001 1.00 0.00 O ATOM 524 NE2 GLN A1102 3.708 19.926 -4.316 1.00 0.00 N ATOM 0 H GLN A1102 -0.056 18.212 -1.900 1.00 0.00 H new ATOM 0 HA GLN A1102 1.318 15.956 -2.969 1.00 0.00 H new ATOM 0 HB2 GLN A1102 2.933 17.594 -3.708 1.00 0.00 H new ATOM 0 HB3 GLN A1102 1.316 18.209 -3.987 1.00 0.00 H new ATOM 0 HG2 GLN A1102 1.475 19.592 -1.944 1.00 0.00 H new ATOM 0 HG3 GLN A1102 3.077 18.957 -1.627 1.00 0.00 H new ATOM 0 HE21 GLN A1102 3.831 18.932 -4.511 1.00 0.00 H new ATOM 0 HE22 GLN A1102 4.144 20.622 -4.921 1.00 0.00 H new ATOM 533 N GLU A1103 2.295 17.286 -0.145 1.00 0.00 N ATOM 534 CA GLU A1103 3.190 17.183 0.987 1.00 0.00 C ATOM 535 C GLU A1103 2.443 16.664 2.220 1.00 0.00 C ATOM 536 O GLU A1103 2.922 16.765 3.346 1.00 0.00 O ATOM 537 CB GLU A1103 3.823 18.552 1.250 1.00 0.00 C ATOM 538 CG GLU A1103 5.021 18.498 2.169 1.00 0.00 C ATOM 539 CD GLU A1103 5.788 19.798 2.215 1.00 0.00 C ATOM 540 OE1 GLU A1103 6.432 20.154 1.207 1.00 0.00 O ATOM 541 OE2 GLU A1103 5.761 20.467 3.267 1.00 0.00 O ATOM 0 H GLU A1103 1.573 17.999 -0.043 1.00 0.00 H new ATOM 0 HA GLU A1103 3.981 16.467 0.765 1.00 0.00 H new ATOM 0 HB2 GLU A1103 4.124 18.992 0.299 1.00 0.00 H new ATOM 0 HB3 GLU A1103 3.072 19.213 1.684 1.00 0.00 H new ATOM 0 HG2 GLU A1103 4.689 18.243 3.175 1.00 0.00 H new ATOM 0 HG3 GLU A1103 5.688 17.700 1.841 1.00 0.00 H new ATOM 548 N TRP A1104 1.270 16.096 1.992 1.00 0.00 N ATOM 549 CA TRP A1104 0.471 15.511 3.069 1.00 0.00 C ATOM 550 C TRP A1104 -0.203 14.228 2.606 1.00 0.00 C ATOM 551 O TRP A1104 -1.155 14.255 1.816 1.00 0.00 O ATOM 552 CB TRP A1104 -0.588 16.489 3.571 1.00 0.00 C ATOM 553 CG TRP A1104 -0.036 17.616 4.380 1.00 0.00 C ATOM 554 CD1 TRP A1104 0.477 18.787 3.912 1.00 0.00 C ATOM 555 CD2 TRP A1104 0.044 17.682 5.805 1.00 0.00 C ATOM 556 NE1 TRP A1104 0.863 19.582 4.958 1.00 0.00 N ATOM 557 CE2 TRP A1104 0.609 18.925 6.136 1.00 0.00 C ATOM 558 CE3 TRP A1104 -0.317 16.810 6.835 1.00 0.00 C ATOM 559 CZ2 TRP A1104 0.828 19.318 7.456 1.00 0.00 C ATOM 560 CZ3 TRP A1104 -0.102 17.197 8.141 1.00 0.00 C ATOM 561 CH2 TRP A1104 0.464 18.444 8.443 1.00 0.00 C ATOM 0 H TRP A1104 0.844 16.025 1.068 1.00 0.00 H new ATOM 0 HA TRP A1104 1.152 15.284 3.889 1.00 0.00 H new ATOM 0 HB2 TRP A1104 -1.125 16.898 2.715 1.00 0.00 H new ATOM 0 HB3 TRP A1104 -1.315 15.944 4.173 1.00 0.00 H new ATOM 0 HD1 TRP A1104 0.566 19.050 2.868 1.00 0.00 H new ATOM 0 HE1 TRP A1104 1.273 20.512 4.875 1.00 0.00 H new ATOM 0 HE3 TRP A1104 -0.757 15.849 6.612 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 1.268 20.276 7.690 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 -0.374 16.529 8.945 1.00 0.00 H new ATOM 0 HH2 TRP A1104 0.616 18.720 9.476 1.00 0.00 H new ATOM 572 N TRP A1105 0.287 13.107 3.102 1.00 0.00 N ATOM 573 CA TRP A1105 -0.224 11.812 2.686 1.00 0.00 C ATOM 574 C TRP A1105 -0.948 11.131 3.829 1.00 0.00 C ATOM 575 O TRP A1105 -0.806 11.515 4.987 1.00 0.00 O ATOM 576 CB TRP A1105 0.909 10.927 2.158 1.00 0.00 C ATOM 577 CG TRP A1105 1.477 11.433 0.869 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.181 12.617 0.270 1.00 0.00 C ATOM 579 CD2 TRP A1105 2.424 10.780 0.023 1.00 0.00 C ATOM 580 NE1 TRP A1105 1.885 12.755 -0.891 1.00 0.00 N ATOM 581 CE2 TRP A1105 2.663 11.637 -1.071 1.00 0.00 C ATOM 582 CE3 TRP A1105 3.096 9.556 0.083 1.00 0.00 C ATOM 583 CZ2 TRP A1105 3.549 11.303 -2.093 1.00 0.00 C ATOM 584 CZ3 TRP A1105 3.971 9.228 -0.931 1.00 0.00 C ATOM 585 CH2 TRP A1105 4.193 10.097 -2.006 1.00 0.00 C ATOM 0 H TRP A1105 1.037 13.066 3.792 1.00 0.00 H new ATOM 0 HA TRP A1105 -0.937 11.970 1.877 1.00 0.00 H new ATOM 0 HB2 TRP A1105 1.702 10.873 2.904 1.00 0.00 H new ATOM 0 HB3 TRP A1105 0.537 9.913 2.014 1.00 0.00 H new ATOM 0 HD1 TRP A1105 0.486 13.346 0.659 1.00 0.00 H new ATOM 0 HE1 TRP A1105 1.841 13.556 -1.521 1.00 0.00 H new ATOM 0 HE3 TRP A1105 2.933 8.879 0.909 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 3.722 11.971 -2.924 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 4.494 8.284 -0.895 1.00 0.00 H new ATOM 0 HH2 TRP A1105 4.886 9.811 -2.783 1.00 0.00 H new ATOM 596 N ILE A1106 -1.722 10.119 3.497 1.00 0.00 N ATOM 597 CA ILE A1106 -2.553 9.450 4.474 1.00 0.00 C ATOM 598 C ILE A1106 -2.116 8.010 4.622 1.00 0.00 C ATOM 599 O ILE A1106 -1.832 7.337 3.632 1.00 0.00 O ATOM 600 CB ILE A1106 -4.031 9.483 4.052 1.00 0.00 C ATOM 601 CG1 ILE A1106 -4.455 10.915 3.738 1.00 0.00 C ATOM 602 CG2 ILE A1106 -4.908 8.890 5.145 1.00 0.00 C ATOM 603 CD1 ILE A1106 -5.823 11.012 3.116 1.00 0.00 C ATOM 0 H ILE A1106 -1.792 9.741 2.552 1.00 0.00 H new ATOM 0 HA ILE A1106 -2.444 9.972 5.424 1.00 0.00 H new ATOM 0 HB ILE A1106 -4.154 8.880 3.152 1.00 0.00 H new ATOM 0 HG12 ILE A1106 -4.440 11.500 4.657 1.00 0.00 H new ATOM 0 HG13 ILE A1106 -3.725 11.362 3.063 1.00 0.00 H new ATOM 0 HG21 ILE A1106 -5.951 8.921 4.831 1.00 0.00 H new ATOM 0 HG22 ILE A1106 -4.614 7.856 5.327 1.00 0.00 H new ATOM 0 HG23 ILE A1106 -4.788 9.468 6.061 1.00 0.00 H new ATOM 0 HD11 ILE A1106 -6.060 12.058 2.919 1.00 0.00 H new ATOM 0 HD12 ILE A1106 -5.837 10.454 2.180 1.00 0.00 H new ATOM 0 HD13 ILE A1106 -6.563 10.594 3.798 1.00 0.00 H new ATOM 615 N GLY A1107 -2.043 7.541 5.848 1.00 0.00 N ATOM 616 CA GLY A1107 -1.675 6.166 6.070 1.00 0.00 C ATOM 617 C GLY A1107 -1.719 5.782 7.524 1.00 0.00 C ATOM 618 O GLY A1107 -2.307 6.487 8.345 1.00 0.00 O ATOM 0 H GLY A1107 -2.231 8.083 6.692 1.00 0.00 H new ATOM 0 HA2 GLY A1107 -2.347 5.519 5.507 1.00 0.00 H new ATOM 0 HA3 GLY A1107 -0.670 5.996 5.683 1.00 0.00 H new ATOM 622 N HIS A1108 -1.086 4.671 7.840 1.00 0.00 N ATOM 623 CA HIS A1108 -1.076 4.145 9.197 1.00 0.00 C ATOM 624 C HIS A1108 0.308 3.615 9.534 1.00 0.00 C ATOM 625 O HIS A1108 1.027 3.149 8.649 1.00 0.00 O ATOM 626 CB HIS A1108 -2.127 3.034 9.367 1.00 0.00 C ATOM 627 CG HIS A1108 -2.022 1.898 8.389 1.00 0.00 C ATOM 628 ND1 HIS A1108 -2.875 1.753 7.316 1.00 0.00 N ATOM 629 CD2 HIS A1108 -1.178 0.838 8.338 1.00 0.00 C ATOM 630 CE1 HIS A1108 -2.560 0.658 6.648 1.00 0.00 C ATOM 631 NE2 HIS A1108 -1.535 0.087 7.248 1.00 0.00 N ATOM 0 H HIS A1108 -0.565 4.106 7.169 1.00 0.00 H new ATOM 0 HA HIS A1108 -1.328 4.955 9.882 1.00 0.00 H new ATOM 0 HB2 HIS A1108 -2.047 2.631 10.377 1.00 0.00 H new ATOM 0 HB3 HIS A1108 -3.119 3.478 9.279 1.00 0.00 H new ATOM 0 HD2 HIS A1108 -0.374 0.625 9.027 1.00 0.00 H new ATOM 0 HE1 HIS A1108 -3.057 0.293 5.762 1.00 0.00 H new ATOM 0 HE2 HIS A1108 -1.080 -0.776 6.949 1.00 0.00 H new ATOM 640 N ILE A1109 0.677 3.696 10.802 1.00 0.00 N ATOM 641 CA ILE A1109 1.968 3.189 11.254 1.00 0.00 C ATOM 642 C ILE A1109 2.041 1.679 11.030 1.00 0.00 C ATOM 643 O ILE A1109 1.078 0.969 11.318 1.00 0.00 O ATOM 644 CB ILE A1109 2.212 3.509 12.751 1.00 0.00 C ATOM 645 CG1 ILE A1109 2.119 5.018 13.012 1.00 0.00 C ATOM 646 CG2 ILE A1109 3.564 2.970 13.214 1.00 0.00 C ATOM 647 CD1 ILE A1109 3.137 5.844 12.255 1.00 0.00 C ATOM 0 H ILE A1109 0.103 4.107 11.538 1.00 0.00 H new ATOM 0 HA ILE A1109 2.745 3.685 10.672 1.00 0.00 H new ATOM 0 HB ILE A1109 1.431 3.013 13.327 1.00 0.00 H new ATOM 0 HG12 ILE A1109 1.119 5.360 12.745 1.00 0.00 H new ATOM 0 HG13 ILE A1109 2.243 5.199 14.080 1.00 0.00 H new ATOM 0 HG21 ILE A1109 3.709 3.208 14.268 1.00 0.00 H new ATOM 0 HG22 ILE A1109 3.590 1.889 13.080 1.00 0.00 H new ATOM 0 HG23 ILE A1109 4.359 3.428 12.625 1.00 0.00 H new ATOM 0 HD11 ILE A1109 3.002 6.898 12.496 1.00 0.00 H new ATOM 0 HD12 ILE A1109 4.142 5.533 12.539 1.00 0.00 H new ATOM 0 HD13 ILE A1109 3.001 5.697 11.184 1.00 0.00 H new ATOM 659 N GLU A1110 3.169 1.209 10.501 1.00 0.00 N ATOM 660 CA GLU A1110 3.330 -0.187 10.085 1.00 0.00 C ATOM 661 C GLU A1110 2.870 -1.155 11.173 1.00 0.00 C ATOM 662 O GLU A1110 1.920 -1.918 10.979 1.00 0.00 O ATOM 663 CB GLU A1110 4.793 -0.476 9.738 1.00 0.00 C ATOM 664 CG GLU A1110 5.014 -1.857 9.142 1.00 0.00 C ATOM 665 CD GLU A1110 6.404 -2.392 9.411 1.00 0.00 C ATOM 666 OE1 GLU A1110 6.673 -2.786 10.566 1.00 0.00 O ATOM 667 OE2 GLU A1110 7.226 -2.426 8.476 1.00 0.00 O ATOM 0 H GLU A1110 3.998 1.783 10.348 1.00 0.00 H new ATOM 0 HA GLU A1110 2.706 -0.336 9.203 1.00 0.00 H new ATOM 0 HB2 GLU A1110 5.146 0.276 9.033 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.398 -0.377 10.639 1.00 0.00 H new ATOM 0 HG2 GLU A1110 4.277 -2.548 9.552 1.00 0.00 H new ATOM 0 HG3 GLU A1110 4.847 -1.815 8.066 1.00 0.00 H new ATOM 674 N GLY A1111 3.547 -1.120 12.315 1.00 0.00 N ATOM 675 CA GLY A1111 3.205 -2.009 13.405 1.00 0.00 C ATOM 676 C GLY A1111 2.209 -1.397 14.365 1.00 0.00 C ATOM 677 O GLY A1111 1.991 -1.914 15.458 1.00 0.00 O ATOM 0 H GLY A1111 4.327 -0.491 12.504 1.00 0.00 H new ATOM 0 HA2 GLY A1111 2.792 -2.933 13.000 1.00 0.00 H new ATOM 0 HA3 GLY A1111 4.111 -2.276 13.949 1.00 0.00 H new ATOM 681 N GLN A1112 1.603 -0.291 13.957 1.00 0.00 N ATOM 682 CA GLN A1112 0.604 0.390 14.772 1.00 0.00 C ATOM 683 C GLN A1112 -0.572 0.828 13.910 1.00 0.00 C ATOM 684 O GLN A1112 -0.738 2.012 13.612 1.00 0.00 O ATOM 685 CB GLN A1112 1.216 1.598 15.485 1.00 0.00 C ATOM 686 CG GLN A1112 2.245 1.226 16.539 1.00 0.00 C ATOM 687 CD GLN A1112 1.619 0.710 17.822 1.00 0.00 C ATOM 688 OE1 GLN A1112 0.526 0.141 17.816 1.00 0.00 O ATOM 689 NE2 GLN A1112 2.312 0.898 18.934 1.00 0.00 N ATOM 0 H GLN A1112 1.787 0.157 13.060 1.00 0.00 H new ATOM 0 HA GLN A1112 0.246 -0.309 15.528 1.00 0.00 H new ATOM 0 HB2 GLN A1112 1.685 2.247 14.745 1.00 0.00 H new ATOM 0 HB3 GLN A1112 0.419 2.174 15.955 1.00 0.00 H new ATOM 0 HG2 GLN A1112 2.912 0.465 16.135 1.00 0.00 H new ATOM 0 HG3 GLN A1112 2.857 2.099 16.765 1.00 0.00 H new ATOM 0 HE21 GLN A1112 3.214 1.374 18.899 1.00 0.00 H new ATOM 0 HE22 GLN A1112 1.944 0.567 19.826 1.00 0.00 H new ATOM 698 N PRO A1113 -1.413 -0.132 13.506 1.00 0.00 N ATOM 699 CA PRO A1113 -2.582 0.124 12.655 1.00 0.00 C ATOM 700 C PRO A1113 -3.660 0.896 13.405 1.00 0.00 C ATOM 701 O PRO A1113 -4.684 1.274 12.843 1.00 0.00 O ATOM 702 CB PRO A1113 -3.077 -1.282 12.280 1.00 0.00 C ATOM 703 CG PRO A1113 -1.978 -2.211 12.687 1.00 0.00 C ATOM 704 CD PRO A1113 -1.291 -1.552 13.843 1.00 0.00 C ATOM 0 HA PRO A1113 -2.337 0.735 11.786 1.00 0.00 H new ATOM 0 HB2 PRO A1113 -4.006 -1.522 12.797 1.00 0.00 H new ATOM 0 HB3 PRO A1113 -3.278 -1.356 11.211 1.00 0.00 H new ATOM 0 HG2 PRO A1113 -2.375 -3.185 12.972 1.00 0.00 H new ATOM 0 HG3 PRO A1113 -1.283 -2.379 11.864 1.00 0.00 H new ATOM 0 HD2 PRO A1113 -1.773 -1.788 14.792 1.00 0.00 H new ATOM 0 HD3 PRO A1113 -0.250 -1.862 13.929 1.00 0.00 H new ATOM 712 N GLU A1114 -3.399 1.115 14.682 1.00 0.00 N ATOM 713 CA GLU A1114 -4.259 1.903 15.545 1.00 0.00 C ATOM 714 C GLU A1114 -3.968 3.391 15.341 1.00 0.00 C ATOM 715 O GLU A1114 -4.767 4.255 15.702 1.00 0.00 O ATOM 716 CB GLU A1114 -3.994 1.501 16.996 1.00 0.00 C ATOM 717 CG GLU A1114 -4.882 2.177 18.025 1.00 0.00 C ATOM 718 CD GLU A1114 -4.403 1.901 19.433 1.00 0.00 C ATOM 719 OE1 GLU A1114 -4.741 0.835 19.989 1.00 0.00 O ATOM 720 OE2 GLU A1114 -3.655 2.738 19.983 1.00 0.00 O ATOM 0 H GLU A1114 -2.573 0.746 15.154 1.00 0.00 H new ATOM 0 HA GLU A1114 -5.306 1.721 15.303 1.00 0.00 H new ATOM 0 HB2 GLU A1114 -4.117 0.422 17.086 1.00 0.00 H new ATOM 0 HB3 GLU A1114 -2.954 1.724 17.234 1.00 0.00 H new ATOM 0 HG2 GLU A1114 -4.894 3.252 17.847 1.00 0.00 H new ATOM 0 HG3 GLU A1114 -5.907 1.824 17.912 1.00 0.00 H new ATOM 727 N ARG A1115 -2.814 3.674 14.748 1.00 0.00 N ATOM 728 CA ARG A1115 -2.384 5.042 14.507 1.00 0.00 C ATOM 729 C ARG A1115 -2.431 5.358 13.021 1.00 0.00 C ATOM 730 O ARG A1115 -1.518 4.995 12.274 1.00 0.00 O ATOM 731 CB ARG A1115 -0.963 5.257 15.019 1.00 0.00 C ATOM 732 CG ARG A1115 -0.811 5.090 16.519 1.00 0.00 C ATOM 733 CD ARG A1115 0.631 5.296 16.940 1.00 0.00 C ATOM 734 NE ARG A1115 0.802 5.217 18.386 1.00 0.00 N ATOM 735 CZ ARG A1115 1.981 5.050 18.982 1.00 0.00 C ATOM 736 NH1 ARG A1115 3.083 4.892 18.255 1.00 0.00 N ATOM 737 NH2 ARG A1115 2.059 5.032 20.304 1.00 0.00 N ATOM 0 H ARG A1115 -2.156 2.966 14.424 1.00 0.00 H new ATOM 0 HA ARG A1115 -3.063 5.706 15.042 1.00 0.00 H new ATOM 0 HB2 ARG A1115 -0.298 4.554 14.517 1.00 0.00 H new ATOM 0 HB3 ARG A1115 -0.636 6.259 14.741 1.00 0.00 H new ATOM 0 HG2 ARG A1115 -1.451 5.805 17.036 1.00 0.00 H new ATOM 0 HG3 ARG A1115 -1.142 4.094 16.814 1.00 0.00 H new ATOM 0 HD2 ARG A1115 1.258 4.544 16.461 1.00 0.00 H new ATOM 0 HD3 ARG A1115 0.974 6.269 16.588 1.00 0.00 H new ATOM 0 HE ARG A1115 -0.028 5.294 18.974 1.00 0.00 H new ATOM 0 HH11 ARG A1115 3.027 4.898 17.237 1.00 0.00 H new ATOM 0 HH12 ARG A1115 3.984 4.764 18.716 1.00 0.00 H new ATOM 0 HH21 ARG A1115 1.216 5.146 20.866 1.00 0.00 H new ATOM 0 HH22 ARG A1115 2.962 4.904 20.760 1.00 0.00 H new ATOM 751 N LYS A1116 -3.497 6.008 12.589 1.00 0.00 N ATOM 752 CA LYS A1116 -3.619 6.416 11.199 1.00 0.00 C ATOM 753 C LYS A1116 -3.952 7.898 11.128 1.00 0.00 C ATOM 754 O LYS A1116 -4.469 8.473 12.087 1.00 0.00 O ATOM 755 CB LYS A1116 -4.699 5.616 10.451 1.00 0.00 C ATOM 756 CG LYS A1116 -4.920 4.195 10.957 1.00 0.00 C ATOM 757 CD LYS A1116 -5.827 4.164 12.179 1.00 0.00 C ATOM 758 CE LYS A1116 -7.253 4.569 11.837 1.00 0.00 C ATOM 759 NZ LYS A1116 -8.154 4.483 13.017 1.00 0.00 N ATOM 0 H LYS A1116 -4.289 6.265 13.178 1.00 0.00 H new ATOM 0 HA LYS A1116 -2.662 6.217 10.716 1.00 0.00 H new ATOM 0 HB2 LYS A1116 -5.642 6.159 10.517 1.00 0.00 H new ATOM 0 HB3 LYS A1116 -4.430 5.571 9.396 1.00 0.00 H new ATOM 0 HG2 LYS A1116 -5.359 3.591 10.163 1.00 0.00 H new ATOM 0 HG3 LYS A1116 -3.959 3.744 11.206 1.00 0.00 H new ATOM 0 HD2 LYS A1116 -5.827 3.161 12.606 1.00 0.00 H new ATOM 0 HD3 LYS A1116 -5.432 4.835 12.942 1.00 0.00 H new ATOM 0 HE2 LYS A1116 -7.258 5.588 11.451 1.00 0.00 H new ATOM 0 HE3 LYS A1116 -7.632 3.925 11.043 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 -9.116 4.767 12.741 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 -8.170 3.505 13.371 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 -7.807 5.116 13.765 1.00 0.00 H new ATOM 773 N GLY A1117 -3.652 8.513 9.998 1.00 0.00 N ATOM 774 CA GLY A1117 -3.928 9.923 9.829 1.00 0.00 C ATOM 775 C GLY A1117 -3.179 10.515 8.658 1.00 0.00 C ATOM 776 O GLY A1117 -2.554 9.785 7.881 1.00 0.00 O ATOM 0 H GLY A1117 -3.221 8.061 9.192 1.00 0.00 H new ATOM 0 HA2 GLY A1117 -4.999 10.067 9.684 1.00 0.00 H new ATOM 0 HA3 GLY A1117 -3.655 10.457 10.740 1.00 0.00 H new ATOM 780 N VAL A1118 -3.245 11.832 8.522 1.00 0.00 N ATOM 781 CA VAL A1118 -2.549 12.520 7.447 1.00 0.00 C ATOM 782 C VAL A1118 -1.246 13.126 7.961 1.00 0.00 C ATOM 783 O VAL A1118 -1.250 13.986 8.841 1.00 0.00 O ATOM 784 CB VAL A1118 -3.415 13.630 6.816 1.00 0.00 C ATOM 785 CG1 VAL A1118 -2.784 14.119 5.522 1.00 0.00 C ATOM 786 CG2 VAL A1118 -4.838 13.140 6.576 1.00 0.00 C ATOM 0 H VAL A1118 -3.774 12.444 9.143 1.00 0.00 H new ATOM 0 HA VAL A1118 -2.334 11.778 6.678 1.00 0.00 H new ATOM 0 HB VAL A1118 -3.465 14.466 7.513 1.00 0.00 H new ATOM 0 HG11 VAL A1118 -3.405 14.902 5.087 1.00 0.00 H new ATOM 0 HG12 VAL A1118 -1.791 14.517 5.729 1.00 0.00 H new ATOM 0 HG13 VAL A1118 -2.703 13.289 4.820 1.00 0.00 H new ATOM 0 HG21 VAL A1118 -5.428 13.941 6.131 1.00 0.00 H new ATOM 0 HG22 VAL A1118 -4.819 12.284 5.901 1.00 0.00 H new ATOM 0 HG23 VAL A1118 -5.286 12.844 7.525 1.00 0.00 H new ATOM 796 N PHE A1119 -0.143 12.657 7.409 1.00 0.00 N ATOM 797 CA PHE A1119 1.187 13.074 7.832 1.00 0.00 C ATOM 798 C PHE A1119 1.874 13.913 6.758 1.00 0.00 C ATOM 799 O PHE A1119 1.718 13.657 5.562 1.00 0.00 O ATOM 800 CB PHE A1119 2.037 11.840 8.158 1.00 0.00 C ATOM 801 CG PHE A1119 1.957 10.742 7.132 1.00 0.00 C ATOM 802 CD1 PHE A1119 0.947 9.795 7.196 1.00 0.00 C ATOM 803 CD2 PHE A1119 2.893 10.646 6.114 1.00 0.00 C ATOM 804 CE1 PHE A1119 0.869 8.781 6.267 1.00 0.00 C ATOM 805 CE2 PHE A1119 2.820 9.627 5.181 1.00 0.00 C ATOM 806 CZ PHE A1119 1.805 8.694 5.260 1.00 0.00 C ATOM 0 H PHE A1119 -0.141 11.974 6.652 1.00 0.00 H new ATOM 0 HA PHE A1119 1.083 13.692 8.724 1.00 0.00 H new ATOM 0 HB2 PHE A1119 3.077 12.148 8.263 1.00 0.00 H new ATOM 0 HB3 PHE A1119 1.723 11.442 9.123 1.00 0.00 H new ATOM 0 HD1 PHE A1119 0.211 9.853 7.985 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.688 11.374 6.048 1.00 0.00 H new ATOM 0 HE1 PHE A1119 0.073 8.053 6.328 1.00 0.00 H new ATOM 0 HE2 PHE A1119 3.555 9.561 4.393 1.00 0.00 H new ATOM 0 HZ PHE A1119 1.745 7.897 4.533 1.00 0.00 H new ATOM 816 N PRO A1120 2.638 14.936 7.175 1.00 0.00 N ATOM 817 CA PRO A1120 3.401 15.776 6.256 1.00 0.00 C ATOM 818 C PRO A1120 4.635 15.060 5.727 1.00 0.00 C ATOM 819 O PRO A1120 5.443 14.529 6.494 1.00 0.00 O ATOM 820 CB PRO A1120 3.814 16.969 7.116 1.00 0.00 C ATOM 821 CG PRO A1120 3.859 16.438 8.503 1.00 0.00 C ATOM 822 CD PRO A1120 2.811 15.357 8.578 1.00 0.00 C ATOM 0 HA PRO A1120 2.819 16.052 5.377 1.00 0.00 H new ATOM 0 HB2 PRO A1120 4.784 17.360 6.810 1.00 0.00 H new ATOM 0 HB3 PRO A1120 3.099 17.787 7.028 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.846 16.039 8.734 1.00 0.00 H new ATOM 0 HG3 PRO A1120 3.656 17.227 9.228 1.00 0.00 H new ATOM 0 HD2 PRO A1120 3.136 14.528 9.207 1.00 0.00 H new ATOM 0 HD3 PRO A1120 1.879 15.732 9.001 1.00 0.00 H new ATOM 830 N VAL A1121 4.781 15.062 4.412 1.00 0.00 N ATOM 831 CA VAL A1121 5.897 14.405 3.756 1.00 0.00 C ATOM 832 C VAL A1121 7.202 15.146 4.062 1.00 0.00 C ATOM 833 O VAL A1121 8.292 14.603 3.912 1.00 0.00 O ATOM 834 CB VAL A1121 5.663 14.321 2.230 1.00 0.00 C ATOM 835 CG1 VAL A1121 6.784 13.565 1.536 1.00 0.00 C ATOM 836 CG2 VAL A1121 4.319 13.666 1.931 1.00 0.00 C ATOM 0 H VAL A1121 4.131 15.518 3.772 1.00 0.00 H new ATOM 0 HA VAL A1121 5.975 13.389 4.142 1.00 0.00 H new ATOM 0 HB VAL A1121 5.654 15.339 1.840 1.00 0.00 H new ATOM 0 HG11 VAL A1121 6.587 13.525 0.465 1.00 0.00 H new ATOM 0 HG12 VAL A1121 7.731 14.076 1.712 1.00 0.00 H new ATOM 0 HG13 VAL A1121 6.839 12.551 1.933 1.00 0.00 H new ATOM 0 HG21 VAL A1121 4.171 13.615 0.852 1.00 0.00 H new ATOM 0 HG22 VAL A1121 4.305 12.659 2.347 1.00 0.00 H new ATOM 0 HG23 VAL A1121 3.519 14.255 2.380 1.00 0.00 H new ATOM 846 N SER A1122 7.071 16.378 4.541 1.00 0.00 N ATOM 847 CA SER A1122 8.216 17.203 4.897 1.00 0.00 C ATOM 848 C SER A1122 9.006 16.608 6.064 1.00 0.00 C ATOM 849 O SER A1122 10.181 16.923 6.258 1.00 0.00 O ATOM 850 CB SER A1122 7.733 18.606 5.253 1.00 0.00 C ATOM 851 OG SER A1122 6.314 18.678 5.212 1.00 0.00 O ATOM 0 H SER A1122 6.170 16.831 4.693 1.00 0.00 H new ATOM 0 HA SER A1122 8.886 17.245 4.038 1.00 0.00 H new ATOM 0 HB2 SER A1122 8.086 18.875 6.248 1.00 0.00 H new ATOM 0 HB3 SER A1122 8.158 19.329 4.557 1.00 0.00 H new ATOM 0 HG SER A1122 6.041 19.489 4.734 1.00 0.00 H new ATOM 857 N PHE A1123 8.360 15.751 6.843 1.00 0.00 N ATOM 858 CA PHE A1123 8.980 15.194 8.038 1.00 0.00 C ATOM 859 C PHE A1123 9.218 13.691 7.872 1.00 0.00 C ATOM 860 O PHE A1123 9.725 13.014 8.776 1.00 0.00 O ATOM 861 CB PHE A1123 8.095 15.453 9.264 1.00 0.00 C ATOM 862 CG PHE A1123 7.873 16.913 9.611 1.00 0.00 C ATOM 863 CD1 PHE A1123 7.535 17.845 8.639 1.00 0.00 C ATOM 864 CD2 PHE A1123 7.960 17.338 10.925 1.00 0.00 C ATOM 865 CE1 PHE A1123 7.293 19.158 8.965 1.00 0.00 C ATOM 866 CE2 PHE A1123 7.724 18.655 11.261 1.00 0.00 C ATOM 867 CZ PHE A1123 7.386 19.569 10.278 1.00 0.00 C ATOM 0 H PHE A1123 7.409 15.427 6.670 1.00 0.00 H new ATOM 0 HA PHE A1123 9.943 15.684 8.185 1.00 0.00 H new ATOM 0 HB2 PHE A1123 7.125 14.986 9.095 1.00 0.00 H new ATOM 0 HB3 PHE A1123 8.543 14.957 10.125 1.00 0.00 H new ATOM 0 HD1 PHE A1123 7.461 17.532 7.608 1.00 0.00 H new ATOM 0 HD2 PHE A1123 8.216 16.629 11.698 1.00 0.00 H new ATOM 0 HE1 PHE A1123 7.030 19.867 8.194 1.00 0.00 H new ATOM 0 HE2 PHE A1123 7.803 18.973 12.290 1.00 0.00 H new ATOM 0 HZ PHE A1123 7.196 20.600 10.538 1.00 0.00 H new ATOM 877 N VAL A1124 8.855 13.169 6.713 1.00 0.00 N ATOM 878 CA VAL A1124 9.022 11.750 6.430 1.00 0.00 C ATOM 879 C VAL A1124 9.738 11.559 5.101 1.00 0.00 C ATOM 880 O VAL A1124 10.040 12.526 4.410 1.00 0.00 O ATOM 881 CB VAL A1124 7.669 10.996 6.406 1.00 0.00 C ATOM 882 CG1 VAL A1124 7.073 10.911 7.797 1.00 0.00 C ATOM 883 CG2 VAL A1124 6.681 11.668 5.472 1.00 0.00 C ATOM 0 H VAL A1124 8.442 13.706 5.950 1.00 0.00 H new ATOM 0 HA VAL A1124 9.623 11.330 7.236 1.00 0.00 H new ATOM 0 HB VAL A1124 7.866 9.988 6.040 1.00 0.00 H new ATOM 0 HG11 VAL A1124 6.124 10.377 7.754 1.00 0.00 H new ATOM 0 HG12 VAL A1124 7.759 10.378 8.455 1.00 0.00 H new ATOM 0 HG13 VAL A1124 6.907 11.916 8.184 1.00 0.00 H new ATOM 0 HG21 VAL A1124 5.742 11.115 5.477 1.00 0.00 H new ATOM 0 HG22 VAL A1124 6.502 12.690 5.806 1.00 0.00 H new ATOM 0 HG23 VAL A1124 7.088 11.682 4.461 1.00 0.00 H new ATOM 893 N HIS A1125 10.030 10.318 4.751 1.00 0.00 N ATOM 894 CA HIS A1125 10.707 10.034 3.497 1.00 0.00 C ATOM 895 C HIS A1125 10.161 8.757 2.889 1.00 0.00 C ATOM 896 O HIS A1125 10.030 7.741 3.577 1.00 0.00 O ATOM 897 CB HIS A1125 12.213 9.912 3.732 1.00 0.00 C ATOM 898 CG HIS A1125 13.039 9.895 2.482 1.00 0.00 C ATOM 899 ND1 HIS A1125 13.061 10.932 1.576 1.00 0.00 N ATOM 900 CD2 HIS A1125 13.887 8.959 2.000 1.00 0.00 C ATOM 901 CE1 HIS A1125 13.885 10.634 0.589 1.00 0.00 C ATOM 902 NE2 HIS A1125 14.400 9.444 0.824 1.00 0.00 N ATOM 0 H HIS A1125 9.811 9.496 5.313 1.00 0.00 H new ATOM 0 HA HIS A1125 10.528 10.854 2.802 1.00 0.00 H new ATOM 0 HB2 HIS A1125 12.539 10.744 4.356 1.00 0.00 H new ATOM 0 HB3 HIS A1125 12.407 8.998 4.293 1.00 0.00 H new ATOM 0 HD2 HIS A1125 14.117 8.007 2.456 1.00 0.00 H new ATOM 0 HE1 HIS A1125 14.100 11.259 -0.265 1.00 0.00 H new ATOM 0 HE2 HIS A1125 15.072 8.961 0.227 1.00 0.00 H new ATOM 911 N ILE A1126 9.843 8.820 1.606 1.00 0.00 N ATOM 912 CA ILE A1126 9.271 7.679 0.901 1.00 0.00 C ATOM 913 C ILE A1126 10.342 6.627 0.647 1.00 0.00 C ATOM 914 O ILE A1126 11.444 6.949 0.197 1.00 0.00 O ATOM 915 CB ILE A1126 8.601 8.082 -0.448 1.00 0.00 C ATOM 916 CG1 ILE A1126 7.276 8.819 -0.221 1.00 0.00 C ATOM 917 CG2 ILE A1126 8.359 6.864 -1.329 1.00 0.00 C ATOM 918 CD1 ILE A1126 7.423 10.255 0.227 1.00 0.00 C ATOM 0 H ILE A1126 9.971 9.651 1.028 1.00 0.00 H new ATOM 0 HA ILE A1126 8.491 7.269 1.543 1.00 0.00 H new ATOM 0 HB ILE A1126 9.293 8.755 -0.954 1.00 0.00 H new ATOM 0 HG12 ILE A1126 6.701 8.798 -1.147 1.00 0.00 H new ATOM 0 HG13 ILE A1126 6.697 8.276 0.526 1.00 0.00 H new ATOM 0 HG21 ILE A1126 7.891 7.177 -2.262 1.00 0.00 H new ATOM 0 HG22 ILE A1126 9.310 6.377 -1.546 1.00 0.00 H new ATOM 0 HG23 ILE A1126 7.703 6.165 -0.811 1.00 0.00 H new ATOM 0 HD11 ILE A1126 6.436 10.697 0.363 1.00 0.00 H new ATOM 0 HD12 ILE A1126 7.968 10.288 1.170 1.00 0.00 H new ATOM 0 HD13 ILE A1126 7.971 10.818 -0.529 1.00 0.00 H new ATOM 930 N LEU A1127 10.021 5.376 0.949 1.00 0.00 N ATOM 931 CA LEU A1127 10.970 4.293 0.790 1.00 0.00 C ATOM 932 C LEU A1127 10.471 3.283 -0.226 1.00 0.00 C ATOM 933 O LEU A1127 9.733 2.352 0.097 1.00 0.00 O ATOM 934 CB LEU A1127 11.226 3.620 2.133 1.00 0.00 C ATOM 935 CG LEU A1127 11.729 4.566 3.215 1.00 0.00 C ATOM 936 CD1 LEU A1127 11.851 3.847 4.541 1.00 0.00 C ATOM 937 CD2 LEU A1127 13.060 5.179 2.814 1.00 0.00 C ATOM 0 H LEU A1127 9.109 5.090 1.305 1.00 0.00 H new ATOM 0 HA LEU A1127 11.908 4.707 0.421 1.00 0.00 H new ATOM 0 HB2 LEU A1127 10.303 3.152 2.475 1.00 0.00 H new ATOM 0 HB3 LEU A1127 11.956 2.822 1.995 1.00 0.00 H new ATOM 0 HG LEU A1127 11.002 5.370 3.329 1.00 0.00 H new ATOM 0 HD11 LEU A1127 12.212 4.542 5.300 1.00 0.00 H new ATOM 0 HD12 LEU A1127 10.875 3.461 4.837 1.00 0.00 H new ATOM 0 HD13 LEU A1127 12.554 3.020 4.443 1.00 0.00 H new ATOM 0 HD21 LEU A1127 13.402 5.852 3.600 1.00 0.00 H new ATOM 0 HD22 LEU A1127 13.795 4.388 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A1127 12.938 5.738 1.886 1.00 0.00 H new ATOM 949 N SER A1128 10.885 3.481 -1.459 1.00 0.00 N ATOM 950 CA SER A1128 10.565 2.559 -2.530 1.00 0.00 C ATOM 951 C SER A1128 11.694 1.541 -2.653 1.00 0.00 C ATOM 952 O SER A1128 12.174 1.236 -3.747 1.00 0.00 O ATOM 953 CB SER A1128 10.354 3.320 -3.846 1.00 0.00 C ATOM 954 OG SER A1128 9.830 2.476 -4.860 1.00 0.00 O ATOM 0 H SER A1128 11.449 4.280 -1.747 1.00 0.00 H new ATOM 0 HA SER A1128 9.636 2.035 -2.306 1.00 0.00 H new ATOM 0 HB2 SER A1128 9.673 4.155 -3.679 1.00 0.00 H new ATOM 0 HB3 SER A1128 11.302 3.743 -4.178 1.00 0.00 H new ATOM 0 HG SER A1128 10.441 1.724 -5.007 1.00 0.00 H new ATOM 960 N ASP A1129 12.125 1.042 -1.503 1.00 0.00 N ATOM 961 CA ASP A1129 13.194 0.063 -1.426 1.00 0.00 C ATOM 962 C ASP A1129 12.769 -1.076 -0.516 1.00 0.00 C ATOM 963 O ASP A1129 12.422 -2.157 -1.035 1.00 0.00 O ATOM 964 CB ASP A1129 14.485 0.702 -0.900 1.00 0.00 C ATOM 965 CG ASP A1129 15.170 1.594 -1.919 1.00 0.00 C ATOM 966 OD1 ASP A1129 16.013 1.086 -2.687 1.00 0.00 O ATOM 967 OD2 ASP A1129 14.879 2.812 -1.955 1.00 0.00 O ATOM 968 OXT ASP A1129 12.741 -0.872 0.714 1.00 0.00 O ATOM 0 H ASP A1129 11.741 1.307 -0.596 1.00 0.00 H new ATOM 0 HA ASP A1129 13.390 -0.321 -2.427 1.00 0.00 H new ATOM 0 HB2 ASP A1129 14.256 1.288 -0.010 1.00 0.00 H new ATOM 0 HB3 ASP A1129 15.174 -0.085 -0.595 1.00 0.00 H new ATOM 974 N CYS B1578 17.559 8.322 13.651 1.00 0.00 N ATOM 975 CA CYS B1578 18.425 9.510 13.522 1.00 0.00 C ATOM 976 C CYS B1578 17.651 10.647 12.881 1.00 0.00 C ATOM 977 O CYS B1578 17.129 10.494 11.777 1.00 0.00 O ATOM 978 CB CYS B1578 19.642 9.177 12.661 1.00 0.00 C ATOM 979 SG CYS B1578 20.499 7.662 13.157 1.00 0.00 S ATOM 0 HA CYS B1578 18.757 9.813 14.515 1.00 0.00 H new ATOM 0 HB2 CYS B1578 19.325 9.080 11.623 1.00 0.00 H new ATOM 0 HB3 CYS B1578 20.344 10.010 12.703 1.00 0.00 H new ATOM 0 HG CYS B1578 21.514 7.460 12.370 1.00 0.00 H new ATOM 987 N ILE B1579 17.552 11.778 13.573 1.00 0.00 N ATOM 988 CA ILE B1579 16.904 12.947 12.998 1.00 0.00 C ATOM 989 C ILE B1579 17.705 13.468 11.818 1.00 0.00 C ATOM 990 O ILE B1579 18.915 13.693 11.919 1.00 0.00 O ATOM 991 CB ILE B1579 16.704 14.090 14.023 1.00 0.00 C ATOM 992 CG1 ILE B1579 15.561 13.753 14.980 1.00 0.00 C ATOM 993 CG2 ILE B1579 16.433 15.418 13.318 1.00 0.00 C ATOM 994 CD1 ILE B1579 15.143 14.919 15.843 1.00 0.00 C ATOM 0 H ILE B1579 17.908 11.908 14.520 1.00 0.00 H new ATOM 0 HA ILE B1579 15.917 12.622 12.670 1.00 0.00 H new ATOM 0 HB ILE B1579 17.624 14.193 14.598 1.00 0.00 H new ATOM 0 HG12 ILE B1579 14.702 13.410 14.403 1.00 0.00 H new ATOM 0 HG13 ILE B1579 15.865 12.926 15.621 1.00 0.00 H new ATOM 0 HG21 ILE B1579 16.296 16.203 14.061 1.00 0.00 H new ATOM 0 HG22 ILE B1579 17.278 15.669 12.677 1.00 0.00 H new ATOM 0 HG23 ILE B1579 15.531 15.331 12.712 1.00 0.00 H new ATOM 0 HD11 ILE B1579 14.328 14.613 16.499 1.00 0.00 H new ATOM 0 HD12 ILE B1579 15.990 15.248 16.446 1.00 0.00 H new ATOM 0 HD13 ILE B1579 14.809 15.740 15.209 1.00 0.00 H new ATOM 1006 N ILE B1580 17.027 13.630 10.702 1.00 0.00 N ATOM 1007 CA ILE B1580 17.632 14.205 9.521 1.00 0.00 C ATOM 1008 C ILE B1580 17.711 15.714 9.674 1.00 0.00 C ATOM 1009 O ILE B1580 16.713 16.358 9.929 1.00 0.00 O ATOM 1010 CB ILE B1580 16.830 13.819 8.246 1.00 0.00 C ATOM 1011 CG1 ILE B1580 17.368 12.518 7.657 1.00 0.00 C ATOM 1012 CG2 ILE B1580 16.842 14.923 7.198 1.00 0.00 C ATOM 1013 CD1 ILE B1580 17.255 11.350 8.602 1.00 0.00 C ATOM 0 H ILE B1580 16.048 13.369 10.588 1.00 0.00 H new ATOM 0 HA ILE B1580 18.641 13.807 9.410 1.00 0.00 H new ATOM 0 HB ILE B1580 15.792 13.676 8.547 1.00 0.00 H new ATOM 0 HG12 ILE B1580 16.825 12.289 6.740 1.00 0.00 H new ATOM 0 HG13 ILE B1580 18.414 12.656 7.382 1.00 0.00 H new ATOM 0 HG21 ILE B1580 16.269 14.605 6.327 1.00 0.00 H new ATOM 0 HG22 ILE B1580 16.396 15.826 7.616 1.00 0.00 H new ATOM 0 HG23 ILE B1580 17.870 15.130 6.899 1.00 0.00 H new ATOM 0 HD11 ILE B1580 17.654 10.455 8.124 1.00 0.00 H new ATOM 0 HD12 ILE B1580 17.821 11.560 9.509 1.00 0.00 H new ATOM 0 HD13 ILE B1580 16.208 11.188 8.857 1.00 0.00 H new ATOM 1025 N SER B1581 18.917 16.250 9.595 1.00 0.00 N ATOM 1026 CA SER B1581 19.130 17.691 9.545 1.00 0.00 C ATOM 1027 C SER B1581 18.447 18.431 10.706 1.00 0.00 C ATOM 1028 O SER B1581 18.280 17.884 11.798 1.00 0.00 O ATOM 1029 CB SER B1581 18.604 18.206 8.209 1.00 0.00 C ATOM 1030 OG SER B1581 19.283 17.587 7.126 1.00 0.00 O ATOM 0 H SER B1581 19.777 15.702 9.564 1.00 0.00 H new ATOM 0 HA SER B1581 20.198 17.885 9.643 1.00 0.00 H new ATOM 0 HB2 SER B1581 17.535 18.009 8.134 1.00 0.00 H new ATOM 0 HB3 SER B1581 18.733 19.287 8.155 1.00 0.00 H new ATOM 0 HG SER B1581 18.929 17.930 6.279 1.00 0.00 H new ATOM 1036 N ALA B1582 18.100 19.693 10.471 1.00 0.00 N ATOM 1037 CA ALA B1582 17.290 20.449 11.406 1.00 0.00 C ATOM 1038 C ALA B1582 15.825 20.354 10.998 1.00 0.00 C ATOM 1039 O ALA B1582 15.516 20.033 9.851 1.00 0.00 O ATOM 1040 CB ALA B1582 17.745 21.901 11.460 1.00 0.00 C ATOM 0 H ALA B1582 18.371 20.211 9.635 1.00 0.00 H new ATOM 0 HA ALA B1582 17.408 20.028 12.404 1.00 0.00 H new ATOM 0 HB1 ALA B1582 17.124 22.451 12.167 1.00 0.00 H new ATOM 0 HB2 ALA B1582 18.786 21.944 11.781 1.00 0.00 H new ATOM 0 HB3 ALA B1582 17.651 22.349 10.471 1.00 0.00 H new ATOM 1046 N MET B1583 14.933 20.639 11.932 1.00 0.00 N ATOM 1047 CA MET B1583 13.499 20.473 11.712 1.00 0.00 C ATOM 1048 C MET B1583 12.982 21.316 10.541 1.00 0.00 C ATOM 1049 O MET B1583 13.363 22.477 10.381 1.00 0.00 O ATOM 1050 CB MET B1583 12.738 20.832 12.991 1.00 0.00 C ATOM 1051 CG MET B1583 11.232 20.855 12.811 1.00 0.00 C ATOM 1052 SD MET B1583 10.355 20.076 14.174 1.00 0.00 S ATOM 1053 CE MET B1583 10.920 18.392 13.971 1.00 0.00 C ATOM 0 H MET B1583 15.176 20.990 12.859 1.00 0.00 H new ATOM 0 HA MET B1583 13.327 19.428 11.454 1.00 0.00 H new ATOM 0 HB2 MET B1583 12.992 20.113 13.770 1.00 0.00 H new ATOM 0 HB3 MET B1583 13.070 21.810 13.340 1.00 0.00 H new ATOM 0 HG2 MET B1583 10.898 21.888 12.713 1.00 0.00 H new ATOM 0 HG3 MET B1583 10.974 20.347 11.882 1.00 0.00 H new ATOM 0 HE1 MET B1583 10.499 17.769 14.761 1.00 0.00 H new ATOM 0 HE2 MET B1583 10.597 18.014 13.001 1.00 0.00 H new ATOM 0 HE3 MET B1583 12.008 18.364 14.028 1.00 0.00 H new ATOM 1063 N PRO B1584 12.111 20.719 9.699 1.00 0.00 N ATOM 1064 CA PRO B1584 11.436 21.418 8.615 1.00 0.00 C ATOM 1065 C PRO B1584 10.183 22.107 9.127 1.00 0.00 C ATOM 1066 O PRO B1584 9.894 22.081 10.326 1.00 0.00 O ATOM 1067 CB PRO B1584 11.078 20.292 7.653 1.00 0.00 C ATOM 1068 CG PRO B1584 10.828 19.121 8.534 1.00 0.00 C ATOM 1069 CD PRO B1584 11.701 19.304 9.751 1.00 0.00 C ATOM 0 HA PRO B1584 12.044 22.198 8.156 1.00 0.00 H new ATOM 0 HB2 PRO B1584 10.197 20.540 7.061 1.00 0.00 H new ATOM 0 HB3 PRO B1584 11.889 20.096 6.951 1.00 0.00 H new ATOM 0 HG2 PRO B1584 9.777 19.066 8.816 1.00 0.00 H new ATOM 0 HG3 PRO B1584 11.070 18.191 8.020 1.00 0.00 H new ATOM 0 HD2 PRO B1584 11.156 19.082 10.668 1.00 0.00 H new ATOM 0 HD3 PRO B1584 12.564 18.639 9.724 1.00 0.00 H new ATOM 1077 N THR B1585 9.429 22.710 8.237 1.00 0.00 N ATOM 1078 CA THR B1585 8.247 23.426 8.650 1.00 0.00 C ATOM 1079 C THR B1585 7.001 22.708 8.182 1.00 0.00 C ATOM 1080 O THR B1585 6.860 22.391 6.999 1.00 0.00 O ATOM 1081 CB THR B1585 8.234 24.866 8.114 1.00 0.00 C ATOM 1082 OG1 THR B1585 9.502 25.488 8.355 1.00 0.00 O ATOM 1083 CG2 THR B1585 7.131 25.682 8.775 1.00 0.00 C ATOM 0 H THR B1585 9.611 22.719 7.233 1.00 0.00 H new ATOM 0 HA THR B1585 8.262 23.465 9.739 1.00 0.00 H new ATOM 0 HB THR B1585 8.043 24.829 7.041 1.00 0.00 H new ATOM 0 HG1 THR B1585 9.488 26.405 8.009 1.00 0.00 H new ATOM 0 HG21 THR B1585 7.142 26.697 8.379 1.00 0.00 H new ATOM 0 HG22 THR B1585 6.165 25.223 8.568 1.00 0.00 H new ATOM 0 HG23 THR B1585 7.295 25.711 9.852 1.00 0.00 H new ATOM 1091 N LYS B1586 6.126 22.434 9.132 1.00 0.00 N ATOM 1092 CA LYS B1586 4.832 21.848 8.853 1.00 0.00 C ATOM 1093 C LYS B1586 4.057 22.781 7.937 1.00 0.00 C ATOM 1094 O LYS B1586 3.499 23.786 8.378 1.00 0.00 O ATOM 1095 CB LYS B1586 4.081 21.626 10.160 1.00 0.00 C ATOM 1096 CG LYS B1586 2.724 20.976 10.001 1.00 0.00 C ATOM 1097 CD LYS B1586 1.696 21.693 10.854 1.00 0.00 C ATOM 1098 CE LYS B1586 2.169 21.822 12.294 1.00 0.00 C ATOM 1099 NZ LYS B1586 1.422 22.873 13.032 1.00 0.00 N ATOM 0 H LYS B1586 6.295 22.613 10.122 1.00 0.00 H new ATOM 0 HA LYS B1586 4.952 20.884 8.358 1.00 0.00 H new ATOM 0 HB2 LYS B1586 4.693 21.005 10.815 1.00 0.00 H new ATOM 0 HB3 LYS B1586 3.953 22.587 10.659 1.00 0.00 H new ATOM 0 HG2 LYS B1586 2.421 21.002 8.954 1.00 0.00 H new ATOM 0 HG3 LYS B1586 2.779 19.927 10.291 1.00 0.00 H new ATOM 0 HD2 LYS B1586 1.504 22.684 10.441 1.00 0.00 H new ATOM 0 HD3 LYS B1586 0.752 21.148 10.826 1.00 0.00 H new ATOM 0 HE2 LYS B1586 2.048 20.866 12.803 1.00 0.00 H new ATOM 0 HE3 LYS B1586 3.233 22.057 12.307 1.00 0.00 H new ATOM 0 HZ1 LYS B1586 2.095 23.517 13.495 1.00 0.00 H new ATOM 0 HZ2 LYS B1586 0.830 23.410 12.367 1.00 0.00 H new ATOM 0 HZ3 LYS B1586 0.817 22.428 13.752 1.00 0.00 H new ATOM 1113 N SER B1587 4.046 22.438 6.663 1.00 0.00 N ATOM 1114 CA SER B1587 3.536 23.313 5.619 1.00 0.00 C ATOM 1115 C SER B1587 2.033 23.557 5.723 1.00 0.00 C ATOM 1116 O SER B1587 1.514 24.478 5.085 1.00 0.00 O ATOM 1117 CB SER B1587 3.864 22.705 4.258 1.00 0.00 C ATOM 1118 OG SER B1587 3.506 21.333 4.226 1.00 0.00 O ATOM 0 H SER B1587 4.391 21.542 6.319 1.00 0.00 H new ATOM 0 HA SER B1587 4.020 24.282 5.741 1.00 0.00 H new ATOM 0 HB2 SER B1587 3.331 23.244 3.475 1.00 0.00 H new ATOM 0 HB3 SER B1587 4.929 22.814 4.052 1.00 0.00 H new ATOM 0 HG SER B1587 4.308 20.789 4.079 1.00 0.00 H new ATOM 1124 N SER B1588 1.349 22.732 6.524 1.00 0.00 N ATOM 1125 CA SER B1588 -0.113 22.741 6.606 1.00 0.00 C ATOM 1126 C SER B1588 -0.701 22.249 5.288 1.00 0.00 C ATOM 1127 O SER B1588 -0.204 22.580 4.209 1.00 0.00 O ATOM 1128 CB SER B1588 -0.644 24.141 6.940 1.00 0.00 C ATOM 1129 OG SER B1588 -2.041 24.118 7.186 1.00 0.00 O ATOM 0 H SER B1588 1.793 22.043 7.131 1.00 0.00 H new ATOM 0 HA SER B1588 -0.418 22.072 7.411 1.00 0.00 H new ATOM 0 HB2 SER B1588 -0.125 24.530 7.816 1.00 0.00 H new ATOM 0 HB3 SER B1588 -0.429 24.820 6.115 1.00 0.00 H new ATOM 0 HG SER B1588 -2.351 25.023 7.398 1.00 0.00 H new ATOM 1135 N ARG B1589 -1.734 21.428 5.366 1.00 0.00 N ATOM 1136 CA ARG B1589 -2.295 20.845 4.162 1.00 0.00 C ATOM 1137 C ARG B1589 -3.003 21.912 3.361 1.00 0.00 C ATOM 1138 O ARG B1589 -3.762 22.714 3.899 1.00 0.00 O ATOM 1139 CB ARG B1589 -3.253 19.698 4.468 1.00 0.00 C ATOM 1140 CG ARG B1589 -3.045 19.086 5.832 1.00 0.00 C ATOM 1141 CD ARG B1589 -3.473 17.629 5.876 1.00 0.00 C ATOM 1142 NE ARG B1589 -4.903 17.423 5.628 1.00 0.00 N ATOM 1143 CZ ARG B1589 -5.763 16.943 6.536 1.00 0.00 C ATOM 1144 NH1 ARG B1589 -5.387 16.751 7.786 1.00 0.00 N ATOM 1145 NH2 ARG B1589 -7.009 16.659 6.193 1.00 0.00 N ATOM 0 H ARG B1589 -2.194 21.154 6.234 1.00 0.00 H new ATOM 0 HA ARG B1589 -1.471 20.431 3.581 1.00 0.00 H new ATOM 0 HB2 ARG B1589 -4.278 20.062 4.394 1.00 0.00 H new ATOM 0 HB3 ARG B1589 -3.134 18.924 3.710 1.00 0.00 H new ATOM 0 HG2 ARG B1589 -1.993 19.163 6.107 1.00 0.00 H new ATOM 0 HG3 ARG B1589 -3.610 19.652 6.573 1.00 0.00 H new ATOM 0 HD2 ARG B1589 -2.901 17.070 5.135 1.00 0.00 H new ATOM 0 HD3 ARG B1589 -3.220 17.215 6.852 1.00 0.00 H new ATOM 0 HE ARG B1589 -5.266 17.660 4.705 1.00 0.00 H new ATOM 0 HH11 ARG B1589 -4.432 16.969 8.070 1.00 0.00 H new ATOM 0 HH12 ARG B1589 -6.051 16.385 8.468 1.00 0.00 H new ATOM 0 HH21 ARG B1589 -7.320 16.805 5.232 1.00 0.00 H new ATOM 0 HH22 ARG B1589 -7.659 16.294 6.889 1.00 0.00 H new ATOM 1159 N LYS B1590 -2.758 21.907 2.074 1.00 0.00 N ATOM 1160 CA LYS B1590 -3.298 22.934 1.195 1.00 0.00 C ATOM 1161 C LYS B1590 -4.734 22.597 0.824 1.00 0.00 C ATOM 1162 O LYS B1590 -5.414 23.363 0.141 1.00 0.00 O ATOM 1163 CB LYS B1590 -2.436 23.107 -0.064 1.00 0.00 C ATOM 1164 CG LYS B1590 -1.032 23.646 0.209 1.00 0.00 C ATOM 1165 CD LYS B1590 -0.118 22.591 0.818 1.00 0.00 C ATOM 1166 CE LYS B1590 1.234 23.169 1.199 1.00 0.00 C ATOM 1167 NZ LYS B1590 1.121 24.181 2.279 1.00 0.00 N ATOM 0 H LYS B1590 -2.187 21.204 1.604 1.00 0.00 H new ATOM 0 HA LYS B1590 -3.284 23.883 1.731 1.00 0.00 H new ATOM 0 HB2 LYS B1590 -2.352 22.145 -0.569 1.00 0.00 H new ATOM 0 HB3 LYS B1590 -2.946 23.783 -0.750 1.00 0.00 H new ATOM 0 HG2 LYS B1590 -0.596 24.008 -0.722 1.00 0.00 H new ATOM 0 HG3 LYS B1590 -1.097 24.500 0.883 1.00 0.00 H new ATOM 0 HD2 LYS B1590 -0.593 22.164 1.701 1.00 0.00 H new ATOM 0 HD3 LYS B1590 0.022 21.777 0.107 1.00 0.00 H new ATOM 0 HE2 LYS B1590 1.894 22.364 1.524 1.00 0.00 H new ATOM 0 HE3 LYS B1590 1.694 23.624 0.322 1.00 0.00 H new ATOM 0 HZ1 LYS B1590 2.058 24.587 2.474 1.00 0.00 H new ATOM 0 HZ2 LYS B1590 0.472 24.936 1.980 1.00 0.00 H new ATOM 0 HZ3 LYS B1590 0.754 23.729 3.141 1.00 0.00 H new ATOM 1181 N ALA B1591 -5.180 21.435 1.284 1.00 0.00 N ATOM 1182 CA ALA B1591 -6.562 21.019 1.126 1.00 0.00 C ATOM 1183 C ALA B1591 -7.394 21.469 2.324 1.00 0.00 C ATOM 1184 O ALA B1591 -8.615 21.296 2.349 1.00 0.00 O ATOM 1185 CB ALA B1591 -6.640 19.510 0.954 1.00 0.00 C ATOM 0 H ALA B1591 -4.594 20.759 1.775 1.00 0.00 H new ATOM 0 HA ALA B1591 -6.969 21.490 0.231 1.00 0.00 H new ATOM 0 HB1 ALA B1591 -7.681 19.211 0.837 1.00 0.00 H new ATOM 0 HB2 ALA B1591 -6.076 19.215 0.069 1.00 0.00 H new ATOM 0 HB3 ALA B1591 -6.219 19.021 1.833 1.00 0.00 H new