USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 578 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A1102 GLN :FLIP amide:sc= 0.23 F(o=-0.46!,f=0.52) USER MOD Set 1.2: B1590 LYS NZ :NH3+ -168:sc= 0.293 (180deg=-0.2) USER MOD Single : A1073 LYS NZ :NH3+ -172:sc= 1.06 (180deg=0.965) USER MOD Single : A1074 THR OG1 : rot 139:sc= 1.77 USER MOD Single : A1076 TYR OH : rot -24:sc= -0.941 USER MOD Single : A1078 CYS SG : rot 126:sc= -0.337 USER MOD Single : A1079 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1082 ASN : amide:sc= -0.0488 K(o=-0.049,f=-3.7!) USER MOD Single : A1087 THR OG1 : rot 180:sc= 0.815 USER MOD Single : A1097 THR OG1 : rot 180:sc= -2.26! USER MOD Single : A1108 HIS : no HD1:sc= -0.0368 X(o=-0.037,f=0) USER MOD Single : A1112 GLN : amide:sc= -0.983! C(o=-0.98!,f=-9.1!) USER MOD Single : A1116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1122 SER OG : rot -142:sc= 1.1 USER MOD Single : A1125 HIS : no HD1:sc= 0 X(o=0,f=-0.067) USER MOD Single : A1128 SER OG : rot 180:sc= -1.27 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 -115:sc= -0.432 (180deg=-2.88!) USER MOD Single : B1585 THR OG1 : rot 180:sc= 0 USER MOD Single : B1586 LYS NZ :NH3+ -166:sc= 0.711 (180deg=0.181) USER MOD Single : B1587 SER OG : rot -35:sc= 0.218 USER MOD Single : B1588 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 19 N ARG A1070 2.595 1.465 -0.150 1.00 0.00 N ATOM 20 CA ARG A1070 3.811 2.260 -0.154 1.00 0.00 C ATOM 21 C ARG A1070 4.244 2.475 1.287 1.00 0.00 C ATOM 22 O ARG A1070 3.399 2.519 2.173 1.00 0.00 O ATOM 23 CB ARG A1070 3.550 3.599 -0.850 1.00 0.00 C ATOM 24 CG ARG A1070 4.747 4.534 -0.883 1.00 0.00 C ATOM 25 CD ARG A1070 4.453 5.778 -1.704 1.00 0.00 C ATOM 26 NE ARG A1070 4.193 5.457 -3.105 1.00 0.00 N ATOM 27 CZ ARG A1070 3.627 6.293 -3.978 1.00 0.00 C ATOM 28 NH1 ARG A1070 3.250 7.508 -3.591 1.00 0.00 N ATOM 29 NH2 ARG A1070 3.440 5.908 -5.233 1.00 0.00 N ATOM 0 HA ARG A1070 4.603 1.746 -0.698 1.00 0.00 H new ATOM 0 HB2 ARG A1070 3.227 3.406 -1.873 1.00 0.00 H new ATOM 0 HB3 ARG A1070 2.725 4.102 -0.345 1.00 0.00 H new ATOM 0 HG2 ARG A1070 5.015 4.822 0.134 1.00 0.00 H new ATOM 0 HG3 ARG A1070 5.607 4.013 -1.304 1.00 0.00 H new ATOM 0 HD2 ARG A1070 3.590 6.295 -1.284 1.00 0.00 H new ATOM 0 HD3 ARG A1070 5.298 6.464 -1.639 1.00 0.00 H new ATOM 0 HE ARG A1070 4.462 4.531 -3.439 1.00 0.00 H new ATOM 0 HH11 ARG A1070 3.393 7.803 -2.625 1.00 0.00 H new ATOM 0 HH12 ARG A1070 2.818 8.145 -4.260 1.00 0.00 H new ATOM 0 HH21 ARG A1070 3.728 4.975 -5.529 1.00 0.00 H new ATOM 0 HH22 ARG A1070 3.008 6.544 -5.903 1.00 0.00 H new ATOM 43 N ARG A1071 5.537 2.595 1.543 1.00 0.00 N ATOM 44 CA ARG A1071 5.995 2.775 2.904 1.00 0.00 C ATOM 45 C ARG A1071 6.819 4.043 3.003 1.00 0.00 C ATOM 46 O ARG A1071 7.482 4.431 2.041 1.00 0.00 O ATOM 47 CB ARG A1071 6.821 1.569 3.354 1.00 0.00 C ATOM 48 CG ARG A1071 7.068 1.530 4.850 1.00 0.00 C ATOM 49 CD ARG A1071 7.964 0.371 5.245 1.00 0.00 C ATOM 50 NE ARG A1071 7.422 -0.923 4.838 1.00 0.00 N ATOM 51 CZ ARG A1071 8.023 -2.091 5.069 1.00 0.00 C ATOM 52 NH1 ARG A1071 9.204 -2.136 5.679 1.00 0.00 N ATOM 53 NH2 ARG A1071 7.440 -3.217 4.689 1.00 0.00 N ATOM 0 H ARG A1071 6.274 2.571 0.838 1.00 0.00 H new ATOM 0 HA ARG A1071 5.129 2.861 3.560 1.00 0.00 H new ATOM 0 HB2 ARG A1071 6.308 0.655 3.054 1.00 0.00 H new ATOM 0 HB3 ARG A1071 7.780 1.581 2.836 1.00 0.00 H new ATOM 0 HG2 ARG A1071 7.526 2.467 5.167 1.00 0.00 H new ATOM 0 HG3 ARG A1071 6.115 1.447 5.373 1.00 0.00 H new ATOM 0 HD2 ARG A1071 8.947 0.507 4.794 1.00 0.00 H new ATOM 0 HD3 ARG A1071 8.105 0.378 6.326 1.00 0.00 H new ATOM 0 HE ARG A1071 6.528 -0.934 4.347 1.00 0.00 H new ATOM 0 HH11 ARG A1071 9.658 -1.272 5.975 1.00 0.00 H new ATOM 0 HH12 ARG A1071 9.655 -3.034 5.851 1.00 0.00 H new ATOM 0 HH21 ARG A1071 6.534 -3.190 4.221 1.00 0.00 H new ATOM 0 HH22 ARG A1071 7.897 -4.112 4.864 1.00 0.00 H new ATOM 67 N VAL A1072 6.745 4.704 4.143 1.00 0.00 N ATOM 68 CA VAL A1072 7.585 5.856 4.421 1.00 0.00 C ATOM 69 C VAL A1072 8.200 5.724 5.805 1.00 0.00 C ATOM 70 O VAL A1072 7.584 5.172 6.719 1.00 0.00 O ATOM 71 CB VAL A1072 6.812 7.196 4.332 1.00 0.00 C ATOM 72 CG1 VAL A1072 6.306 7.442 2.921 1.00 0.00 C ATOM 73 CG2 VAL A1072 5.659 7.228 5.320 1.00 0.00 C ATOM 0 H VAL A1072 6.105 4.460 4.899 1.00 0.00 H new ATOM 0 HA VAL A1072 8.362 5.873 3.657 1.00 0.00 H new ATOM 0 HB VAL A1072 7.507 7.995 4.591 1.00 0.00 H new ATOM 0 HG11 VAL A1072 5.767 8.389 2.888 1.00 0.00 H new ATOM 0 HG12 VAL A1072 7.151 7.480 2.233 1.00 0.00 H new ATOM 0 HG13 VAL A1072 5.636 6.633 2.628 1.00 0.00 H new ATOM 0 HG21 VAL A1072 5.134 8.180 5.236 1.00 0.00 H new ATOM 0 HG22 VAL A1072 4.970 6.413 5.101 1.00 0.00 H new ATOM 0 HG23 VAL A1072 6.045 7.115 6.333 1.00 0.00 H new ATOM 83 N LYS A1073 9.417 6.204 5.951 1.00 0.00 N ATOM 84 CA LYS A1073 10.087 6.186 7.240 1.00 0.00 C ATOM 85 C LYS A1073 10.229 7.618 7.722 1.00 0.00 C ATOM 86 O LYS A1073 10.644 8.499 6.966 1.00 0.00 O ATOM 87 CB LYS A1073 11.455 5.496 7.122 1.00 0.00 C ATOM 88 CG LYS A1073 11.985 4.908 8.431 1.00 0.00 C ATOM 89 CD LYS A1073 12.504 5.969 9.394 1.00 0.00 C ATOM 90 CE LYS A1073 13.803 6.595 8.909 1.00 0.00 C ATOM 91 NZ LYS A1073 14.292 7.657 9.833 1.00 0.00 N ATOM 0 H LYS A1073 9.965 6.612 5.194 1.00 0.00 H new ATOM 0 HA LYS A1073 9.502 5.618 7.964 1.00 0.00 H new ATOM 0 HB2 LYS A1073 11.382 4.698 6.383 1.00 0.00 H new ATOM 0 HB3 LYS A1073 12.180 6.217 6.743 1.00 0.00 H new ATOM 0 HG2 LYS A1073 11.190 4.342 8.917 1.00 0.00 H new ATOM 0 HG3 LYS A1073 12.787 4.204 8.208 1.00 0.00 H new ATOM 0 HD2 LYS A1073 11.750 6.747 9.516 1.00 0.00 H new ATOM 0 HD3 LYS A1073 12.662 5.521 10.375 1.00 0.00 H new ATOM 0 HE2 LYS A1073 14.564 5.821 8.812 1.00 0.00 H new ATOM 0 HE3 LYS A1073 13.652 7.020 7.917 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 15.100 8.148 9.400 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 13.528 8.339 10.013 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 14.590 7.226 10.731 1.00 0.00 H new ATOM 105 N THR A1074 9.859 7.857 8.963 1.00 0.00 N ATOM 106 CA THR A1074 9.865 9.199 9.504 1.00 0.00 C ATOM 107 C THR A1074 11.289 9.651 9.799 1.00 0.00 C ATOM 108 O THR A1074 12.032 8.987 10.527 1.00 0.00 O ATOM 109 CB THR A1074 9.020 9.272 10.778 1.00 0.00 C ATOM 110 OG1 THR A1074 9.630 8.489 11.793 1.00 0.00 O ATOM 111 CG2 THR A1074 7.617 8.747 10.525 1.00 0.00 C ATOM 0 H THR A1074 9.550 7.138 9.617 1.00 0.00 H new ATOM 0 HA THR A1074 9.432 9.866 8.758 1.00 0.00 H new ATOM 0 HB THR A1074 8.956 10.314 11.091 1.00 0.00 H new ATOM 0 HG1 THR A1074 9.578 8.964 12.648 1.00 0.00 H new ATOM 0 HG21 THR A1074 7.034 8.808 11.444 1.00 0.00 H new ATOM 0 HG22 THR A1074 7.138 9.347 9.751 1.00 0.00 H new ATOM 0 HG23 THR A1074 7.671 7.709 10.198 1.00 0.00 H new ATOM 119 N ILE A1075 11.674 10.770 9.217 1.00 0.00 N ATOM 120 CA ILE A1075 13.018 11.285 9.392 1.00 0.00 C ATOM 121 C ILE A1075 13.031 12.429 10.393 1.00 0.00 C ATOM 122 O ILE A1075 14.085 12.972 10.735 1.00 0.00 O ATOM 123 CB ILE A1075 13.620 11.754 8.055 1.00 0.00 C ATOM 124 CG1 ILE A1075 12.679 12.714 7.330 1.00 0.00 C ATOM 125 CG2 ILE A1075 13.937 10.560 7.171 1.00 0.00 C ATOM 126 CD1 ILE A1075 13.277 13.317 6.077 1.00 0.00 C ATOM 0 H ILE A1075 11.075 11.340 8.619 1.00 0.00 H new ATOM 0 HA ILE A1075 13.631 10.469 9.776 1.00 0.00 H new ATOM 0 HB ILE A1075 14.544 12.289 8.273 1.00 0.00 H new ATOM 0 HG12 ILE A1075 11.764 12.183 7.067 1.00 0.00 H new ATOM 0 HG13 ILE A1075 12.397 13.517 8.011 1.00 0.00 H new ATOM 0 HG21 ILE A1075 14.362 10.907 6.229 1.00 0.00 H new ATOM 0 HG22 ILE A1075 14.654 9.913 7.676 1.00 0.00 H new ATOM 0 HG23 ILE A1075 13.022 10.001 6.972 1.00 0.00 H new ATOM 0 HD11 ILE A1075 12.553 13.988 5.615 1.00 0.00 H new ATOM 0 HD12 ILE A1075 14.176 13.876 6.336 1.00 0.00 H new ATOM 0 HD13 ILE A1075 13.533 12.522 5.377 1.00 0.00 H new ATOM 138 N TYR A1076 11.845 12.784 10.857 1.00 0.00 N ATOM 139 CA TYR A1076 11.683 13.835 11.848 1.00 0.00 C ATOM 140 C TYR A1076 10.632 13.457 12.884 1.00 0.00 C ATOM 141 O TYR A1076 9.944 12.445 12.747 1.00 0.00 O ATOM 142 CB TYR A1076 11.253 15.137 11.177 1.00 0.00 C ATOM 143 CG TYR A1076 12.291 15.776 10.287 1.00 0.00 C ATOM 144 CD1 TYR A1076 13.255 16.608 10.820 1.00 0.00 C ATOM 145 CD2 TYR A1076 12.281 15.578 8.912 1.00 0.00 C ATOM 146 CE1 TYR A1076 14.187 17.225 10.013 1.00 0.00 C ATOM 147 CE2 TYR A1076 13.205 16.198 8.097 1.00 0.00 C ATOM 148 CZ TYR A1076 14.155 17.018 8.649 1.00 0.00 C ATOM 149 OH TYR A1076 15.071 17.644 7.833 1.00 0.00 O ATOM 0 H TYR A1076 10.970 12.354 10.559 1.00 0.00 H new ATOM 0 HA TYR A1076 12.646 13.967 12.342 1.00 0.00 H new ATOM 0 HB2 TYR A1076 10.359 14.943 10.584 1.00 0.00 H new ATOM 0 HB3 TYR A1076 10.973 15.851 11.952 1.00 0.00 H new ATOM 0 HD1 TYR A1076 13.279 16.778 11.886 1.00 0.00 H new ATOM 0 HD2 TYR A1076 11.538 14.928 8.474 1.00 0.00 H new ATOM 0 HE1 TYR A1076 14.939 17.868 10.446 1.00 0.00 H new ATOM 0 HE2 TYR A1076 13.180 16.038 7.029 1.00 0.00 H new ATOM 0 HH TYR A1076 15.399 18.456 8.272 1.00 0.00 H new ATOM 159 N ASP A1077 10.502 14.301 13.903 1.00 0.00 N ATOM 160 CA ASP A1077 9.501 14.108 14.943 1.00 0.00 C ATOM 161 C ASP A1077 8.390 15.121 14.745 1.00 0.00 C ATOM 162 O ASP A1077 8.558 16.304 15.042 1.00 0.00 O ATOM 163 CB ASP A1077 10.091 14.283 16.346 1.00 0.00 C ATOM 164 CG ASP A1077 11.225 13.326 16.653 1.00 0.00 C ATOM 165 OD1 ASP A1077 10.950 12.149 16.957 1.00 0.00 O ATOM 166 OD2 ASP A1077 12.396 13.753 16.617 1.00 0.00 O ATOM 0 H ASP A1077 11.082 15.130 14.030 1.00 0.00 H new ATOM 0 HA ASP A1077 9.122 13.089 14.864 1.00 0.00 H new ATOM 0 HB2 ASP A1077 10.451 15.306 16.454 1.00 0.00 H new ATOM 0 HB3 ASP A1077 9.300 14.144 17.083 1.00 0.00 H new ATOM 171 N CYS A1078 7.266 14.660 14.246 1.00 0.00 N ATOM 172 CA CYS A1078 6.166 15.542 13.904 1.00 0.00 C ATOM 173 C CYS A1078 4.948 15.221 14.736 1.00 0.00 C ATOM 174 O CYS A1078 4.759 14.087 15.171 1.00 0.00 O ATOM 175 CB CYS A1078 5.822 15.416 12.424 1.00 0.00 C ATOM 176 SG CYS A1078 4.551 16.574 11.856 1.00 0.00 S ATOM 0 H CYS A1078 7.086 13.672 14.066 1.00 0.00 H new ATOM 0 HA CYS A1078 6.477 16.566 14.112 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.728 15.572 11.838 1.00 0.00 H new ATOM 0 HB3 CYS A1078 5.485 14.398 12.226 1.00 0.00 H new ATOM 0 HG CYS A1078 4.997 17.240 10.833 1.00 0.00 H new ATOM 182 N GLN A1079 4.122 16.219 14.951 1.00 0.00 N ATOM 183 CA GLN A1079 2.901 16.031 15.711 1.00 0.00 C ATOM 184 C GLN A1079 1.721 16.648 14.983 1.00 0.00 C ATOM 185 O GLN A1079 1.868 17.622 14.242 1.00 0.00 O ATOM 186 CB GLN A1079 3.061 16.619 17.114 1.00 0.00 C ATOM 187 CG GLN A1079 1.815 16.537 17.982 1.00 0.00 C ATOM 188 CD GLN A1079 2.045 17.097 19.370 1.00 0.00 C ATOM 189 OE1 GLN A1079 2.437 16.377 20.288 1.00 0.00 O ATOM 190 NE2 GLN A1079 1.807 18.388 19.529 1.00 0.00 N ATOM 0 H GLN A1079 4.270 17.170 14.612 1.00 0.00 H new ATOM 0 HA GLN A1079 2.705 14.963 15.811 1.00 0.00 H new ATOM 0 HB2 GLN A1079 3.875 16.100 17.620 1.00 0.00 H new ATOM 0 HB3 GLN A1079 3.357 17.664 17.024 1.00 0.00 H new ATOM 0 HG2 GLN A1079 1.003 17.084 17.502 1.00 0.00 H new ATOM 0 HG3 GLN A1079 1.497 15.497 18.060 1.00 0.00 H new ATOM 0 HE21 GLN A1079 1.483 18.948 18.740 1.00 0.00 H new ATOM 0 HE22 GLN A1079 1.948 18.824 20.440 1.00 0.00 H new ATOM 199 N ALA A1080 0.561 16.046 15.175 1.00 0.00 N ATOM 200 CA ALA A1080 -0.665 16.498 14.545 1.00 0.00 C ATOM 201 C ALA A1080 -1.092 17.847 15.101 1.00 0.00 C ATOM 202 O ALA A1080 -1.049 18.072 16.312 1.00 0.00 O ATOM 203 CB ALA A1080 -1.768 15.475 14.764 1.00 0.00 C ATOM 0 H ALA A1080 0.443 15.228 15.773 1.00 0.00 H new ATOM 0 HA ALA A1080 -0.482 16.608 13.476 1.00 0.00 H new ATOM 0 HB1 ALA A1080 -2.685 15.822 14.288 1.00 0.00 H new ATOM 0 HB2 ALA A1080 -1.471 14.521 14.328 1.00 0.00 H new ATOM 0 HB3 ALA A1080 -1.939 15.348 15.833 1.00 0.00 H new ATOM 209 N ASP A1081 -1.500 18.742 14.212 1.00 0.00 N ATOM 210 CA ASP A1081 -1.991 20.049 14.617 1.00 0.00 C ATOM 211 C ASP A1081 -3.482 19.941 14.861 1.00 0.00 C ATOM 212 O ASP A1081 -4.007 20.453 15.851 1.00 0.00 O ATOM 213 CB ASP A1081 -1.713 21.102 13.541 1.00 0.00 C ATOM 214 CG ASP A1081 -1.137 22.377 14.118 1.00 0.00 C ATOM 215 OD1 ASP A1081 -1.873 23.118 14.799 1.00 0.00 O ATOM 216 OD2 ASP A1081 0.069 22.629 13.904 1.00 0.00 O ATOM 0 H ASP A1081 -1.500 18.585 13.204 1.00 0.00 H new ATOM 0 HA ASP A1081 -1.476 20.362 15.525 1.00 0.00 H new ATOM 0 HB2 ASP A1081 -1.019 20.693 12.806 1.00 0.00 H new ATOM 0 HB3 ASP A1081 -2.638 21.331 13.013 1.00 0.00 H new ATOM 221 N ASN A1082 -4.152 19.237 13.960 1.00 0.00 N ATOM 222 CA ASN A1082 -5.574 18.975 14.095 1.00 0.00 C ATOM 223 C ASN A1082 -5.800 17.492 14.418 1.00 0.00 C ATOM 224 O ASN A1082 -4.835 16.752 14.609 1.00 0.00 O ATOM 225 CB ASN A1082 -6.322 19.389 12.821 1.00 0.00 C ATOM 226 CG ASN A1082 -7.815 19.577 13.044 1.00 0.00 C ATOM 227 OD1 ASN A1082 -8.604 18.649 12.873 1.00 0.00 O ATOM 228 ND2 ASN A1082 -8.212 20.778 13.438 1.00 0.00 N ATOM 0 H ASN A1082 -3.729 18.836 13.123 1.00 0.00 H new ATOM 0 HA ASN A1082 -5.971 19.570 14.917 1.00 0.00 H new ATOM 0 HB2 ASN A1082 -5.897 20.318 12.442 1.00 0.00 H new ATOM 0 HB3 ASN A1082 -6.167 18.631 12.053 1.00 0.00 H new ATOM 0 HD21 ASN A1082 -9.201 20.957 13.610 1.00 0.00 H new ATOM 0 HD22 ASN A1082 -7.528 21.523 13.569 1.00 0.00 H new ATOM 235 N ASP A1083 -7.048 17.053 14.466 1.00 0.00 N ATOM 236 CA ASP A1083 -7.369 15.695 14.914 1.00 0.00 C ATOM 237 C ASP A1083 -7.026 14.631 13.868 1.00 0.00 C ATOM 238 O ASP A1083 -6.516 13.562 14.205 1.00 0.00 O ATOM 239 CB ASP A1083 -8.854 15.612 15.276 1.00 0.00 C ATOM 240 CG ASP A1083 -9.317 14.192 15.539 1.00 0.00 C ATOM 241 OD1 ASP A1083 -8.925 13.611 16.573 1.00 0.00 O ATOM 242 OD2 ASP A1083 -10.102 13.660 14.725 1.00 0.00 O ATOM 0 H ASP A1083 -7.859 17.612 14.202 1.00 0.00 H new ATOM 0 HA ASP A1083 -6.755 15.488 15.791 1.00 0.00 H new ATOM 0 HB2 ASP A1083 -9.042 16.220 16.161 1.00 0.00 H new ATOM 0 HB3 ASP A1083 -9.445 16.038 14.465 1.00 0.00 H new ATOM 247 N ASP A1084 -7.276 14.931 12.599 1.00 0.00 N ATOM 248 CA ASP A1084 -7.172 13.922 11.541 1.00 0.00 C ATOM 249 C ASP A1084 -5.747 13.820 10.992 1.00 0.00 C ATOM 250 O ASP A1084 -5.513 13.219 9.940 1.00 0.00 O ATOM 251 CB ASP A1084 -8.146 14.247 10.403 1.00 0.00 C ATOM 252 CG ASP A1084 -7.697 15.427 9.563 1.00 0.00 C ATOM 253 OD1 ASP A1084 -7.245 16.441 10.137 1.00 0.00 O ATOM 254 OD2 ASP A1084 -7.796 15.351 8.322 1.00 0.00 O ATOM 0 H ASP A1084 -7.551 15.858 12.274 1.00 0.00 H new ATOM 0 HA ASP A1084 -7.432 12.958 11.979 1.00 0.00 H new ATOM 0 HB2 ASP A1084 -8.254 13.372 9.763 1.00 0.00 H new ATOM 0 HB3 ASP A1084 -9.130 14.459 10.822 1.00 0.00 H new ATOM 259 N GLU A1085 -4.796 14.395 11.703 1.00 0.00 N ATOM 260 CA GLU A1085 -3.413 14.391 11.263 1.00 0.00 C ATOM 261 C GLU A1085 -2.599 13.398 12.076 1.00 0.00 C ATOM 262 O GLU A1085 -3.037 12.943 13.130 1.00 0.00 O ATOM 263 CB GLU A1085 -2.837 15.796 11.371 1.00 0.00 C ATOM 264 CG GLU A1085 -3.599 16.796 10.524 1.00 0.00 C ATOM 265 CD GLU A1085 -3.141 18.220 10.723 1.00 0.00 C ATOM 266 OE1 GLU A1085 -2.518 18.508 11.763 1.00 0.00 O ATOM 267 OE2 GLU A1085 -3.443 19.060 9.851 1.00 0.00 O ATOM 0 H GLU A1085 -4.956 14.872 12.590 1.00 0.00 H new ATOM 0 HA GLU A1085 -3.368 14.079 10.220 1.00 0.00 H new ATOM 0 HB2 GLU A1085 -2.857 16.116 12.413 1.00 0.00 H new ATOM 0 HB3 GLU A1085 -1.792 15.783 11.062 1.00 0.00 H new ATOM 0 HG2 GLU A1085 -3.488 16.530 9.473 1.00 0.00 H new ATOM 0 HG3 GLU A1085 -4.661 16.727 10.760 1.00 0.00 H new ATOM 274 N LEU A1086 -1.424 13.058 11.580 1.00 0.00 N ATOM 275 CA LEU A1086 -0.622 12.006 12.185 1.00 0.00 C ATOM 276 C LEU A1086 0.506 12.572 13.048 1.00 0.00 C ATOM 277 O LEU A1086 1.249 13.459 12.621 1.00 0.00 O ATOM 278 CB LEU A1086 -0.029 11.112 11.097 1.00 0.00 C ATOM 279 CG LEU A1086 0.418 9.727 11.566 1.00 0.00 C ATOM 280 CD1 LEU A1086 -0.793 8.864 11.862 1.00 0.00 C ATOM 281 CD2 LEU A1086 1.305 9.065 10.530 1.00 0.00 C ATOM 0 H LEU A1086 -1.002 13.494 10.760 1.00 0.00 H new ATOM 0 HA LEU A1086 -1.280 11.424 12.830 1.00 0.00 H new ATOM 0 HB2 LEU A1086 -0.769 10.989 10.306 1.00 0.00 H new ATOM 0 HB3 LEU A1086 0.827 11.623 10.656 1.00 0.00 H new ATOM 0 HG LEU A1086 1.000 9.842 12.480 1.00 0.00 H new ATOM 0 HD11 LEU A1086 -0.465 7.879 12.195 1.00 0.00 H new ATOM 0 HD12 LEU A1086 -1.391 9.332 12.644 1.00 0.00 H new ATOM 0 HD13 LEU A1086 -1.395 8.760 10.959 1.00 0.00 H new ATOM 0 HD21 LEU A1086 1.610 8.081 10.887 1.00 0.00 H new ATOM 0 HD22 LEU A1086 0.755 8.957 9.595 1.00 0.00 H new ATOM 0 HD23 LEU A1086 2.189 9.680 10.362 1.00 0.00 H new ATOM 293 N THR A1087 0.613 12.059 14.266 1.00 0.00 N ATOM 294 CA THR A1087 1.754 12.344 15.121 1.00 0.00 C ATOM 295 C THR A1087 2.745 11.183 15.034 1.00 0.00 C ATOM 296 O THR A1087 2.416 10.053 15.392 1.00 0.00 O ATOM 297 CB THR A1087 1.324 12.554 16.589 1.00 0.00 C ATOM 298 OG1 THR A1087 0.342 13.595 16.673 1.00 0.00 O ATOM 299 CG2 THR A1087 2.514 12.901 17.469 1.00 0.00 C ATOM 0 H THR A1087 -0.081 11.440 14.685 1.00 0.00 H new ATOM 0 HA THR A1087 2.221 13.267 14.777 1.00 0.00 H new ATOM 0 HB THR A1087 0.894 11.619 16.947 1.00 0.00 H new ATOM 0 HG1 THR A1087 0.075 13.718 17.608 1.00 0.00 H new ATOM 0 HG21 THR A1087 2.178 13.043 18.496 1.00 0.00 H new ATOM 0 HG22 THR A1087 3.241 12.090 17.434 1.00 0.00 H new ATOM 0 HG23 THR A1087 2.977 13.820 17.109 1.00 0.00 H new ATOM 307 N PHE A1088 3.938 11.463 14.537 1.00 0.00 N ATOM 308 CA PHE A1088 4.944 10.433 14.313 1.00 0.00 C ATOM 309 C PHE A1088 6.321 10.936 14.708 1.00 0.00 C ATOM 310 O PHE A1088 6.694 12.064 14.399 1.00 0.00 O ATOM 311 CB PHE A1088 4.944 9.982 12.846 1.00 0.00 C ATOM 312 CG PHE A1088 5.003 11.115 11.851 1.00 0.00 C ATOM 313 CD1 PHE A1088 3.842 11.744 11.432 1.00 0.00 C ATOM 314 CD2 PHE A1088 6.213 11.550 11.329 1.00 0.00 C ATOM 315 CE1 PHE A1088 3.887 12.777 10.519 1.00 0.00 C ATOM 316 CE2 PHE A1088 6.261 12.583 10.415 1.00 0.00 C ATOM 317 CZ PHE A1088 5.097 13.197 10.010 1.00 0.00 C ATOM 0 H PHE A1088 4.237 12.403 14.278 1.00 0.00 H new ATOM 0 HA PHE A1088 4.694 9.575 14.938 1.00 0.00 H new ATOM 0 HB2 PHE A1088 5.796 9.323 12.680 1.00 0.00 H new ATOM 0 HB3 PHE A1088 4.045 9.395 12.658 1.00 0.00 H new ATOM 0 HD1 PHE A1088 2.889 11.421 11.825 1.00 0.00 H new ATOM 0 HD2 PHE A1088 7.130 11.073 11.642 1.00 0.00 H new ATOM 0 HE1 PHE A1088 2.973 13.257 10.203 1.00 0.00 H new ATOM 0 HE2 PHE A1088 7.211 12.909 10.018 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.132 14.006 9.295 1.00 0.00 H new ATOM 327 N ILE A1089 7.071 10.092 15.385 1.00 0.00 N ATOM 328 CA ILE A1089 8.399 10.461 15.848 1.00 0.00 C ATOM 329 C ILE A1089 9.461 9.867 14.936 1.00 0.00 C ATOM 330 O ILE A1089 9.177 8.930 14.200 1.00 0.00 O ATOM 331 CB ILE A1089 8.624 10.025 17.315 1.00 0.00 C ATOM 332 CG1 ILE A1089 7.998 8.646 17.606 1.00 0.00 C ATOM 333 CG2 ILE A1089 8.044 11.073 18.253 1.00 0.00 C ATOM 334 CD1 ILE A1089 8.626 7.492 16.857 1.00 0.00 C ATOM 0 H ILE A1089 6.786 9.143 15.629 1.00 0.00 H new ATOM 0 HA ILE A1089 8.481 11.547 15.813 1.00 0.00 H new ATOM 0 HB ILE A1089 9.698 9.937 17.480 1.00 0.00 H new ATOM 0 HG12 ILE A1089 8.070 8.449 18.676 1.00 0.00 H new ATOM 0 HG13 ILE A1089 6.937 8.686 17.360 1.00 0.00 H new ATOM 0 HG21 ILE A1089 8.203 10.765 19.286 1.00 0.00 H new ATOM 0 HG22 ILE A1089 8.537 12.029 18.080 1.00 0.00 H new ATOM 0 HG23 ILE A1089 6.975 11.177 18.066 1.00 0.00 H new ATOM 0 HD11 ILE A1089 8.120 6.565 17.126 1.00 0.00 H new ATOM 0 HD12 ILE A1089 8.530 7.659 15.784 1.00 0.00 H new ATOM 0 HD13 ILE A1089 9.681 7.419 17.120 1.00 0.00 H new ATOM 346 N GLU A1090 10.667 10.420 14.978 1.00 0.00 N ATOM 347 CA GLU A1090 11.756 9.969 14.117 1.00 0.00 C ATOM 348 C GLU A1090 12.059 8.501 14.399 1.00 0.00 C ATOM 349 O GLU A1090 12.257 8.111 15.552 1.00 0.00 O ATOM 350 CB GLU A1090 13.002 10.834 14.349 1.00 0.00 C ATOM 351 CG GLU A1090 14.073 10.707 13.271 1.00 0.00 C ATOM 352 CD GLU A1090 14.825 9.389 13.308 1.00 0.00 C ATOM 353 OE1 GLU A1090 15.591 9.163 14.268 1.00 0.00 O ATOM 354 OE2 GLU A1090 14.680 8.584 12.363 1.00 0.00 O ATOM 0 H GLU A1090 10.917 11.186 15.603 1.00 0.00 H new ATOM 0 HA GLU A1090 11.458 10.070 13.073 1.00 0.00 H new ATOM 0 HB2 GLU A1090 12.696 11.878 14.417 1.00 0.00 H new ATOM 0 HB3 GLU A1090 13.440 10.567 15.311 1.00 0.00 H new ATOM 0 HG2 GLU A1090 13.606 10.821 12.293 1.00 0.00 H new ATOM 0 HG3 GLU A1090 14.785 11.525 13.381 1.00 0.00 H new ATOM 361 N GLY A1091 12.069 7.690 13.348 1.00 0.00 N ATOM 362 CA GLY A1091 12.323 6.272 13.512 1.00 0.00 C ATOM 363 C GLY A1091 11.059 5.452 13.370 1.00 0.00 C ATOM 364 O GLY A1091 11.085 4.224 13.469 1.00 0.00 O ATOM 0 H GLY A1091 11.906 7.989 12.386 1.00 0.00 H new ATOM 0 HA2 GLY A1091 13.053 5.946 12.771 1.00 0.00 H new ATOM 0 HA3 GLY A1091 12.763 6.093 14.493 1.00 0.00 H new ATOM 368 N GLU A1092 9.949 6.139 13.157 1.00 0.00 N ATOM 369 CA GLU A1092 8.660 5.496 12.979 1.00 0.00 C ATOM 370 C GLU A1092 8.474 5.083 11.519 1.00 0.00 C ATOM 371 O GLU A1092 9.146 5.597 10.620 1.00 0.00 O ATOM 372 CB GLU A1092 7.543 6.449 13.410 1.00 0.00 C ATOM 373 CG GLU A1092 6.235 5.776 13.787 1.00 0.00 C ATOM 374 CD GLU A1092 6.414 4.655 14.795 1.00 0.00 C ATOM 375 OE1 GLU A1092 6.930 3.586 14.412 1.00 0.00 O ATOM 376 OE2 GLU A1092 6.041 4.836 15.971 1.00 0.00 O ATOM 0 H GLU A1092 9.917 7.157 13.103 1.00 0.00 H new ATOM 0 HA GLU A1092 8.619 4.600 13.599 1.00 0.00 H new ATOM 0 HB2 GLU A1092 7.892 7.033 14.262 1.00 0.00 H new ATOM 0 HB3 GLU A1092 7.352 7.152 12.599 1.00 0.00 H new ATOM 0 HG2 GLU A1092 5.554 6.522 14.198 1.00 0.00 H new ATOM 0 HG3 GLU A1092 5.766 5.377 12.888 1.00 0.00 H new ATOM 383 N VAL A1093 7.554 4.164 11.293 1.00 0.00 N ATOM 384 CA VAL A1093 7.326 3.606 9.968 1.00 0.00 C ATOM 385 C VAL A1093 5.853 3.699 9.602 1.00 0.00 C ATOM 386 O VAL A1093 4.999 3.144 10.293 1.00 0.00 O ATOM 387 CB VAL A1093 7.777 2.129 9.893 1.00 0.00 C ATOM 388 CG1 VAL A1093 7.447 1.528 8.536 1.00 0.00 C ATOM 389 CG2 VAL A1093 9.265 2.009 10.175 1.00 0.00 C ATOM 0 H VAL A1093 6.945 3.783 12.017 1.00 0.00 H new ATOM 0 HA VAL A1093 7.918 4.187 9.261 1.00 0.00 H new ATOM 0 HB VAL A1093 7.232 1.572 10.655 1.00 0.00 H new ATOM 0 HG11 VAL A1093 7.774 0.489 8.509 1.00 0.00 H new ATOM 0 HG12 VAL A1093 6.371 1.574 8.370 1.00 0.00 H new ATOM 0 HG13 VAL A1093 7.959 2.090 7.755 1.00 0.00 H new ATOM 0 HG21 VAL A1093 9.563 0.962 10.118 1.00 0.00 H new ATOM 0 HG22 VAL A1093 9.823 2.586 9.437 1.00 0.00 H new ATOM 0 HG23 VAL A1093 9.478 2.393 11.173 1.00 0.00 H new ATOM 399 N ILE A1094 5.556 4.398 8.519 1.00 0.00 N ATOM 400 CA ILE A1094 4.175 4.612 8.120 1.00 0.00 C ATOM 401 C ILE A1094 3.873 3.908 6.804 1.00 0.00 C ATOM 402 O ILE A1094 4.648 3.988 5.850 1.00 0.00 O ATOM 403 CB ILE A1094 3.848 6.112 7.965 1.00 0.00 C ATOM 404 CG1 ILE A1094 4.476 6.922 9.103 1.00 0.00 C ATOM 405 CG2 ILE A1094 2.336 6.310 7.940 1.00 0.00 C ATOM 406 CD1 ILE A1094 4.401 8.420 8.901 1.00 0.00 C ATOM 0 H ILE A1094 6.248 4.825 7.903 1.00 0.00 H new ATOM 0 HA ILE A1094 3.554 4.195 8.913 1.00 0.00 H new ATOM 0 HB ILE A1094 4.268 6.468 7.024 1.00 0.00 H new ATOM 0 HG12 ILE A1094 3.977 6.665 10.037 1.00 0.00 H new ATOM 0 HG13 ILE A1094 5.521 6.631 9.210 1.00 0.00 H new ATOM 0 HG21 ILE A1094 2.110 7.371 7.830 1.00 0.00 H new ATOM 0 HG22 ILE A1094 1.911 5.760 7.101 1.00 0.00 H new ATOM 0 HG23 ILE A1094 1.905 5.941 8.871 1.00 0.00 H new ATOM 0 HD11 ILE A1094 4.866 8.925 9.748 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.926 8.690 7.985 1.00 0.00 H new ATOM 0 HD13 ILE A1094 3.357 8.725 8.825 1.00 0.00 H new ATOM 418 N ILE A1095 2.754 3.209 6.767 1.00 0.00 N ATOM 419 CA ILE A1095 2.276 2.595 5.544 1.00 0.00 C ATOM 420 C ILE A1095 1.325 3.561 4.845 1.00 0.00 C ATOM 421 O ILE A1095 0.277 3.909 5.392 1.00 0.00 O ATOM 422 CB ILE A1095 1.544 1.263 5.827 1.00 0.00 C ATOM 423 CG1 ILE A1095 2.491 0.268 6.500 1.00 0.00 C ATOM 424 CG2 ILE A1095 0.971 0.671 4.545 1.00 0.00 C ATOM 425 CD1 ILE A1095 3.705 -0.077 5.666 1.00 0.00 C ATOM 0 H ILE A1095 2.155 3.052 7.578 1.00 0.00 H new ATOM 0 HA ILE A1095 3.134 2.377 4.908 1.00 0.00 H new ATOM 0 HB ILE A1095 0.714 1.468 6.504 1.00 0.00 H new ATOM 0 HG12 ILE A1095 2.822 0.682 7.453 1.00 0.00 H new ATOM 0 HG13 ILE A1095 1.943 -0.647 6.723 1.00 0.00 H new ATOM 0 HG21 ILE A1095 0.462 -0.265 4.773 1.00 0.00 H new ATOM 0 HG22 ILE A1095 0.262 1.372 4.106 1.00 0.00 H new ATOM 0 HG23 ILE A1095 1.779 0.482 3.839 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.329 -0.787 6.208 1.00 0.00 H new ATOM 0 HD12 ILE A1095 3.385 -0.521 4.724 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.277 0.829 5.464 1.00 0.00 H new ATOM 437 N VAL A1096 1.701 4.001 3.656 1.00 0.00 N ATOM 438 CA VAL A1096 0.919 4.975 2.910 1.00 0.00 C ATOM 439 C VAL A1096 -0.248 4.297 2.209 1.00 0.00 C ATOM 440 O VAL A1096 -0.057 3.466 1.318 1.00 0.00 O ATOM 441 CB VAL A1096 1.785 5.714 1.868 1.00 0.00 C ATOM 442 CG1 VAL A1096 0.977 6.780 1.140 1.00 0.00 C ATOM 443 CG2 VAL A1096 3.004 6.327 2.534 1.00 0.00 C ATOM 0 H VAL A1096 2.551 3.696 3.182 1.00 0.00 H new ATOM 0 HA VAL A1096 0.539 5.705 3.625 1.00 0.00 H new ATOM 0 HB VAL A1096 2.121 4.987 1.128 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.613 7.284 0.412 1.00 0.00 H new ATOM 0 HG12 VAL A1096 0.137 6.312 0.626 1.00 0.00 H new ATOM 0 HG13 VAL A1096 0.602 7.507 1.860 1.00 0.00 H new ATOM 0 HG21 VAL A1096 3.605 6.845 1.787 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.684 7.036 3.297 1.00 0.00 H new ATOM 0 HG23 VAL A1096 3.600 5.540 2.997 1.00 0.00 H new ATOM 453 N THR A1097 -1.449 4.648 2.629 1.00 0.00 N ATOM 454 CA THR A1097 -2.657 4.094 2.051 1.00 0.00 C ATOM 455 C THR A1097 -3.314 5.081 1.089 1.00 0.00 C ATOM 456 O THR A1097 -4.108 4.690 0.230 1.00 0.00 O ATOM 457 CB THR A1097 -3.655 3.704 3.157 1.00 0.00 C ATOM 458 OG1 THR A1097 -3.705 4.738 4.150 1.00 0.00 O ATOM 459 CG2 THR A1097 -3.256 2.388 3.808 1.00 0.00 C ATOM 0 H THR A1097 -1.613 5.322 3.377 1.00 0.00 H new ATOM 0 HA THR A1097 -2.375 3.202 1.491 1.00 0.00 H new ATOM 0 HB THR A1097 -4.639 3.581 2.705 1.00 0.00 H new ATOM 0 HG1 THR A1097 -4.342 4.488 4.851 1.00 0.00 H new ATOM 0 HG21 THR A1097 -3.976 2.134 4.586 1.00 0.00 H new ATOM 0 HG22 THR A1097 -3.241 1.600 3.055 1.00 0.00 H new ATOM 0 HG23 THR A1097 -2.264 2.487 4.250 1.00 0.00 H new ATOM 467 N GLY A1098 -2.973 6.357 1.221 1.00 0.00 N ATOM 468 CA GLY A1098 -3.568 7.367 0.374 1.00 0.00 C ATOM 469 C GLY A1098 -2.739 8.632 0.288 1.00 0.00 C ATOM 470 O GLY A1098 -1.642 8.712 0.842 1.00 0.00 O ATOM 0 H GLY A1098 -2.296 6.708 1.899 1.00 0.00 H new ATOM 0 HA2 GLY A1098 -3.703 6.959 -0.628 1.00 0.00 H new ATOM 0 HA3 GLY A1098 -4.559 7.614 0.754 1.00 0.00 H new ATOM 474 N GLU A1099 -3.289 9.627 -0.386 1.00 0.00 N ATOM 475 CA GLU A1099 -2.620 10.898 -0.617 1.00 0.00 C ATOM 476 C GLU A1099 -3.672 11.981 -0.807 1.00 0.00 C ATOM 477 O GLU A1099 -4.620 11.804 -1.578 1.00 0.00 O ATOM 478 CB GLU A1099 -1.727 10.812 -1.862 1.00 0.00 C ATOM 479 CG GLU A1099 -1.176 12.152 -2.319 1.00 0.00 C ATOM 480 CD GLU A1099 -0.754 12.134 -3.773 1.00 0.00 C ATOM 481 OE1 GLU A1099 -1.648 12.092 -4.645 1.00 0.00 O ATOM 482 OE2 GLU A1099 0.462 12.174 -4.058 1.00 0.00 O ATOM 0 H GLU A1099 -4.223 9.576 -0.793 1.00 0.00 H new ATOM 0 HA GLU A1099 -1.992 11.139 0.241 1.00 0.00 H new ATOM 0 HB2 GLU A1099 -0.894 10.140 -1.654 1.00 0.00 H new ATOM 0 HB3 GLU A1099 -2.299 10.368 -2.677 1.00 0.00 H new ATOM 0 HG2 GLU A1099 -1.933 12.923 -2.172 1.00 0.00 H new ATOM 0 HG3 GLU A1099 -0.322 12.422 -1.698 1.00 0.00 H new ATOM 489 N GLU A1100 -3.519 13.097 -0.117 1.00 0.00 N ATOM 490 CA GLU A1100 -4.505 14.164 -0.209 1.00 0.00 C ATOM 491 C GLU A1100 -3.861 15.416 -0.776 1.00 0.00 C ATOM 492 O GLU A1100 -4.491 16.180 -1.512 1.00 0.00 O ATOM 493 CB GLU A1100 -5.129 14.450 1.157 1.00 0.00 C ATOM 494 CG GLU A1100 -6.371 15.323 1.076 1.00 0.00 C ATOM 495 CD GLU A1100 -6.986 15.595 2.428 1.00 0.00 C ATOM 496 OE1 GLU A1100 -7.715 14.723 2.944 1.00 0.00 O ATOM 497 OE2 GLU A1100 -6.743 16.683 2.988 1.00 0.00 O ATOM 0 H GLU A1100 -2.734 13.289 0.505 1.00 0.00 H new ATOM 0 HA GLU A1100 -5.302 13.843 -0.879 1.00 0.00 H new ATOM 0 HB2 GLU A1100 -5.387 13.506 1.637 1.00 0.00 H new ATOM 0 HB3 GLU A1100 -4.390 14.939 1.792 1.00 0.00 H new ATOM 0 HG2 GLU A1100 -6.113 16.270 0.602 1.00 0.00 H new ATOM 0 HG3 GLU A1100 -7.109 14.838 0.437 1.00 0.00 H new ATOM 504 N ASP A1101 -2.603 15.617 -0.430 1.00 0.00 N ATOM 505 CA ASP A1101 -1.818 16.704 -0.984 1.00 0.00 C ATOM 506 C ASP A1101 -0.453 16.166 -1.388 1.00 0.00 C ATOM 507 O ASP A1101 -0.126 15.026 -1.062 1.00 0.00 O ATOM 508 CB ASP A1101 -1.666 17.842 0.032 1.00 0.00 C ATOM 509 CG ASP A1101 -0.978 19.057 -0.550 1.00 0.00 C ATOM 510 OD1 ASP A1101 -1.653 19.869 -1.208 1.00 0.00 O ATOM 511 OD2 ASP A1101 0.250 19.190 -0.367 1.00 0.00 O ATOM 0 H ASP A1101 -2.099 15.035 0.239 1.00 0.00 H new ATOM 0 HA ASP A1101 -2.328 17.108 -1.858 1.00 0.00 H new ATOM 0 HB2 ASP A1101 -2.651 18.129 0.400 1.00 0.00 H new ATOM 0 HB3 ASP A1101 -1.097 17.484 0.890 1.00 0.00 H new ATOM 516 N GLN A1102 0.342 16.967 -2.070 1.00 0.00 N ATOM 517 CA GLN A1102 1.664 16.532 -2.498 1.00 0.00 C ATOM 518 C GLN A1102 2.548 16.302 -1.281 1.00 0.00 C ATOM 519 O GLN A1102 3.382 15.394 -1.253 1.00 0.00 O ATOM 520 CB GLN A1102 2.302 17.579 -3.417 1.00 0.00 C ATOM 521 CG GLN A1102 2.778 18.834 -2.696 1.00 0.00 C ATOM 522 CD GLN A1102 2.129 20.102 -3.224 1.00 0.00 C ATOM 523 OE1 GLN A1102 1.018 20.497 -2.624 1.00 0.00 O flip ATOM 524 NE2 GLN A1102 2.637 20.734 -4.149 1.00 0.00 N flip ATOM 0 H GLN A1102 0.100 17.920 -2.341 1.00 0.00 H new ATOM 0 HA GLN A1102 1.564 15.599 -3.053 1.00 0.00 H new ATOM 0 HB2 GLN A1102 3.149 17.126 -3.933 1.00 0.00 H new ATOM 0 HB3 GLN A1102 1.579 17.864 -4.181 1.00 0.00 H new ATOM 0 HG2 GLN A1102 2.564 18.739 -1.632 1.00 0.00 H new ATOM 0 HG3 GLN A1102 3.860 18.917 -2.797 1.00 0.00 H new ATOM 0 HE21 GLN A1102 3.495 20.397 -4.586 1.00 0.00 H new ATOM 0 HE22 GLN A1102 2.201 21.595 -4.479 1.00 0.00 H new ATOM 533 N GLU A1103 2.333 17.125 -0.271 1.00 0.00 N ATOM 534 CA GLU A1103 3.152 17.095 0.922 1.00 0.00 C ATOM 535 C GLU A1103 2.365 16.552 2.119 1.00 0.00 C ATOM 536 O GLU A1103 2.829 16.602 3.254 1.00 0.00 O ATOM 537 CB GLU A1103 3.679 18.501 1.211 1.00 0.00 C ATOM 538 CG GLU A1103 4.830 18.518 2.192 1.00 0.00 C ATOM 539 CD GLU A1103 5.437 19.891 2.362 1.00 0.00 C ATOM 540 OE1 GLU A1103 5.786 20.518 1.339 1.00 0.00 O ATOM 541 OE2 GLU A1103 5.566 20.350 3.516 1.00 0.00 O ATOM 0 H GLU A1103 1.592 17.826 -0.256 1.00 0.00 H new ATOM 0 HA GLU A1103 3.994 16.424 0.755 1.00 0.00 H new ATOM 0 HB2 GLU A1103 4.000 18.960 0.276 1.00 0.00 H new ATOM 0 HB3 GLU A1103 2.867 19.112 1.604 1.00 0.00 H new ATOM 0 HG2 GLU A1103 4.481 18.158 3.160 1.00 0.00 H new ATOM 0 HG3 GLU A1103 5.600 17.825 1.853 1.00 0.00 H new ATOM 548 N TRP A1104 1.181 16.022 1.857 1.00 0.00 N ATOM 549 CA TRP A1104 0.343 15.455 2.913 1.00 0.00 C ATOM 550 C TRP A1104 -0.292 14.150 2.454 1.00 0.00 C ATOM 551 O TRP A1104 -1.248 14.147 1.670 1.00 0.00 O ATOM 552 CB TRP A1104 -0.744 16.443 3.346 1.00 0.00 C ATOM 553 CG TRP A1104 -0.220 17.587 4.166 1.00 0.00 C ATOM 554 CD1 TRP A1104 0.297 18.761 3.703 1.00 0.00 C ATOM 555 CD2 TRP A1104 -0.167 17.665 5.597 1.00 0.00 C ATOM 556 NE1 TRP A1104 0.671 19.560 4.752 1.00 0.00 N ATOM 557 CE2 TRP A1104 0.395 18.915 5.925 1.00 0.00 C ATOM 558 CE3 TRP A1104 -0.543 16.803 6.634 1.00 0.00 C ATOM 559 CZ2 TRP A1104 0.592 19.320 7.245 1.00 0.00 C ATOM 560 CZ3 TRP A1104 -0.348 17.206 7.941 1.00 0.00 C ATOM 561 CH2 TRP A1104 0.213 18.458 8.236 1.00 0.00 C ATOM 0 H TRP A1104 0.774 15.970 0.923 1.00 0.00 H new ATOM 0 HA TRP A1104 0.984 15.252 3.771 1.00 0.00 H new ATOM 0 HB2 TRP A1104 -1.239 16.839 2.459 1.00 0.00 H new ATOM 0 HB3 TRP A1104 -1.500 15.910 3.922 1.00 0.00 H new ATOM 0 HD1 TRP A1104 0.397 19.023 2.660 1.00 0.00 H new ATOM 0 HE1 TRP A1104 1.088 20.487 4.670 1.00 0.00 H new ATOM 0 HE3 TRP A1104 -0.978 15.839 6.416 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 1.028 20.280 7.476 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 -0.632 16.547 8.748 1.00 0.00 H new ATOM 0 HH2 TRP A1104 0.348 18.747 9.268 1.00 0.00 H new ATOM 572 N TRP A1105 0.246 13.045 2.944 1.00 0.00 N ATOM 573 CA TRP A1105 -0.218 11.725 2.549 1.00 0.00 C ATOM 574 C TRP A1105 -0.982 11.071 3.681 1.00 0.00 C ATOM 575 O TRP A1105 -0.899 11.500 4.830 1.00 0.00 O ATOM 576 CB TRP A1105 0.960 10.848 2.115 1.00 0.00 C ATOM 577 CG TRP A1105 1.583 11.313 0.832 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.259 12.441 0.149 1.00 0.00 C ATOM 579 CD2 TRP A1105 2.625 10.678 0.081 1.00 0.00 C ATOM 580 NE1 TRP A1105 2.016 12.554 -0.981 1.00 0.00 N ATOM 581 CE2 TRP A1105 2.871 11.485 -1.049 1.00 0.00 C ATOM 582 CE3 TRP A1105 3.370 9.510 0.251 1.00 0.00 C ATOM 583 CZ2 TRP A1105 3.835 11.159 -2.000 1.00 0.00 C ATOM 584 CZ3 TRP A1105 4.325 9.188 -0.694 1.00 0.00 C ATOM 585 CH2 TRP A1105 4.551 10.009 -1.807 1.00 0.00 C ATOM 0 H TRP A1105 1.009 13.037 3.620 1.00 0.00 H new ATOM 0 HA TRP A1105 -0.892 11.837 1.700 1.00 0.00 H new ATOM 0 HB2 TRP A1105 1.715 10.845 2.901 1.00 0.00 H new ATOM 0 HB3 TRP A1105 0.619 9.820 1.997 1.00 0.00 H new ATOM 0 HD1 TRP A1105 0.506 13.151 0.457 1.00 0.00 H new ATOM 0 HE1 TRP A1105 1.955 13.310 -1.663 1.00 0.00 H new ATOM 0 HE3 TRP A1105 3.203 8.870 1.105 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 4.011 11.791 -2.858 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 4.908 8.287 -0.573 1.00 0.00 H new ATOM 0 HH2 TRP A1105 5.306 9.728 -2.527 1.00 0.00 H new ATOM 596 N ILE A1106 -1.721 10.031 3.348 1.00 0.00 N ATOM 597 CA ILE A1106 -2.588 9.377 4.308 1.00 0.00 C ATOM 598 C ILE A1106 -2.131 7.952 4.533 1.00 0.00 C ATOM 599 O ILE A1106 -1.788 7.248 3.582 1.00 0.00 O ATOM 600 CB ILE A1106 -4.048 9.360 3.818 1.00 0.00 C ATOM 601 CG1 ILE A1106 -4.488 10.767 3.418 1.00 0.00 C ATOM 602 CG2 ILE A1106 -4.965 8.795 4.896 1.00 0.00 C ATOM 603 CD1 ILE A1106 -5.847 10.802 2.766 1.00 0.00 C ATOM 0 H ILE A1106 -1.738 9.619 2.415 1.00 0.00 H new ATOM 0 HA ILE A1106 -2.534 9.939 5.240 1.00 0.00 H new ATOM 0 HB ILE A1106 -4.115 8.716 2.941 1.00 0.00 H new ATOM 0 HG12 ILE A1106 -4.501 11.402 4.304 1.00 0.00 H new ATOM 0 HG13 ILE A1106 -3.753 11.190 2.733 1.00 0.00 H new ATOM 0 HG21 ILE A1106 -5.993 8.790 4.533 1.00 0.00 H new ATOM 0 HG22 ILE A1106 -4.660 7.776 5.136 1.00 0.00 H new ATOM 0 HG23 ILE A1106 -4.899 9.414 5.791 1.00 0.00 H new ATOM 0 HD11 ILE A1106 -6.100 11.830 2.507 1.00 0.00 H new ATOM 0 HD12 ILE A1106 -5.833 10.193 1.862 1.00 0.00 H new ATOM 0 HD13 ILE A1106 -6.592 10.409 3.457 1.00 0.00 H new ATOM 615 N GLY A1107 -2.102 7.534 5.783 1.00 0.00 N ATOM 616 CA GLY A1107 -1.741 6.174 6.077 1.00 0.00 C ATOM 617 C GLY A1107 -1.821 5.851 7.545 1.00 0.00 C ATOM 618 O GLY A1107 -2.461 6.566 8.319 1.00 0.00 O ATOM 0 H GLY A1107 -2.321 8.111 6.595 1.00 0.00 H new ATOM 0 HA2 GLY A1107 -2.398 5.502 5.526 1.00 0.00 H new ATOM 0 HA3 GLY A1107 -0.727 5.988 5.724 1.00 0.00 H new ATOM 622 N HIS A1108 -1.162 4.774 7.921 1.00 0.00 N ATOM 623 CA HIS A1108 -1.170 4.298 9.294 1.00 0.00 C ATOM 624 C HIS A1108 0.180 3.690 9.624 1.00 0.00 C ATOM 625 O HIS A1108 0.860 3.173 8.740 1.00 0.00 O ATOM 626 CB HIS A1108 -2.293 3.268 9.515 1.00 0.00 C ATOM 627 CG HIS A1108 -2.230 2.066 8.617 1.00 0.00 C ATOM 628 ND1 HIS A1108 -3.063 1.897 7.533 1.00 0.00 N ATOM 629 CD2 HIS A1108 -1.446 0.963 8.658 1.00 0.00 C ATOM 630 CE1 HIS A1108 -2.795 0.746 6.947 1.00 0.00 C ATOM 631 NE2 HIS A1108 -1.816 0.161 7.611 1.00 0.00 N ATOM 0 H HIS A1108 -0.605 4.202 7.286 1.00 0.00 H new ATOM 0 HA HIS A1108 -1.359 5.142 9.958 1.00 0.00 H new ATOM 0 HB2 HIS A1108 -2.260 2.932 10.551 1.00 0.00 H new ATOM 0 HB3 HIS A1108 -3.254 3.762 9.371 1.00 0.00 H new ATOM 0 HD2 HIS A1108 -0.672 0.754 9.382 1.00 0.00 H new ATOM 0 HE1 HIS A1108 -3.292 0.350 6.073 1.00 0.00 H new ATOM 0 HE2 HIS A1108 -1.402 -0.742 7.382 1.00 0.00 H new ATOM 640 N ILE A1109 0.565 3.759 10.884 1.00 0.00 N ATOM 641 CA ILE A1109 1.854 3.239 11.313 1.00 0.00 C ATOM 642 C ILE A1109 1.896 1.720 11.173 1.00 0.00 C ATOM 643 O ILE A1109 0.952 1.027 11.558 1.00 0.00 O ATOM 644 CB ILE A1109 2.152 3.619 12.778 1.00 0.00 C ATOM 645 CG1 ILE A1109 2.013 5.132 12.988 1.00 0.00 C ATOM 646 CG2 ILE A1109 3.542 3.158 13.182 1.00 0.00 C ATOM 647 CD1 ILE A1109 2.918 5.961 12.100 1.00 0.00 C ATOM 0 H ILE A1109 0.005 4.170 11.631 1.00 0.00 H new ATOM 0 HA ILE A1109 2.613 3.686 10.671 1.00 0.00 H new ATOM 0 HB ILE A1109 1.422 3.114 13.411 1.00 0.00 H new ATOM 0 HG12 ILE A1109 0.978 5.421 12.805 1.00 0.00 H new ATOM 0 HG13 ILE A1109 2.230 5.366 14.030 1.00 0.00 H new ATOM 0 HG21 ILE A1109 3.731 3.437 14.219 1.00 0.00 H new ATOM 0 HG22 ILE A1109 3.610 2.075 13.079 1.00 0.00 H new ATOM 0 HG23 ILE A1109 4.284 3.631 12.538 1.00 0.00 H new ATOM 0 HD11 ILE A1109 2.761 7.019 12.308 1.00 0.00 H new ATOM 0 HD12 ILE A1109 3.958 5.702 12.298 1.00 0.00 H new ATOM 0 HD13 ILE A1109 2.687 5.758 11.054 1.00 0.00 H new ATOM 659 N GLU A1110 2.983 1.204 10.612 1.00 0.00 N ATOM 660 CA GLU A1110 3.147 -0.232 10.457 1.00 0.00 C ATOM 661 C GLU A1110 3.377 -0.863 11.825 1.00 0.00 C ATOM 662 O GLU A1110 4.385 -0.595 12.478 1.00 0.00 O ATOM 663 CB GLU A1110 4.319 -0.553 9.527 1.00 0.00 C ATOM 664 CG GLU A1110 4.387 -2.019 9.133 1.00 0.00 C ATOM 665 CD GLU A1110 5.650 -2.373 8.380 1.00 0.00 C ATOM 666 OE1 GLU A1110 5.679 -2.203 7.147 1.00 0.00 O ATOM 667 OE2 GLU A1110 6.615 -2.841 9.021 1.00 0.00 O ATOM 0 H GLU A1110 3.762 1.760 10.258 1.00 0.00 H new ATOM 0 HA GLU A1110 2.241 -0.642 10.010 1.00 0.00 H new ATOM 0 HB2 GLU A1110 4.237 0.055 8.626 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.251 -0.272 10.017 1.00 0.00 H new ATOM 0 HG2 GLU A1110 4.322 -2.634 10.031 1.00 0.00 H new ATOM 0 HG3 GLU A1110 3.522 -2.264 8.516 1.00 0.00 H new ATOM 674 N GLY A1111 2.435 -1.681 12.265 1.00 0.00 N ATOM 675 CA GLY A1111 2.509 -2.247 13.598 1.00 0.00 C ATOM 676 C GLY A1111 1.655 -1.470 14.577 1.00 0.00 C ATOM 677 O GLY A1111 1.451 -1.890 15.714 1.00 0.00 O ATOM 0 H GLY A1111 1.618 -1.965 11.723 1.00 0.00 H new ATOM 0 HA2 GLY A1111 2.181 -3.286 13.572 1.00 0.00 H new ATOM 0 HA3 GLY A1111 3.545 -2.248 13.937 1.00 0.00 H new ATOM 681 N GLN A1112 1.158 -0.329 14.122 1.00 0.00 N ATOM 682 CA GLN A1112 0.277 0.514 14.919 1.00 0.00 C ATOM 683 C GLN A1112 -0.915 0.944 14.071 1.00 0.00 C ATOM 684 O GLN A1112 -1.055 2.120 13.727 1.00 0.00 O ATOM 685 CB GLN A1112 1.034 1.745 15.432 1.00 0.00 C ATOM 686 CG GLN A1112 2.020 1.453 16.555 1.00 0.00 C ATOM 687 CD GLN A1112 3.014 2.580 16.764 1.00 0.00 C ATOM 688 OE1 GLN A1112 2.741 3.537 17.479 1.00 0.00 O ATOM 689 NE2 GLN A1112 4.184 2.459 16.166 1.00 0.00 N ATOM 0 H GLN A1112 1.354 0.039 13.191 1.00 0.00 H new ATOM 0 HA GLN A1112 -0.078 -0.053 15.780 1.00 0.00 H new ATOM 0 HB2 GLN A1112 1.573 2.198 14.600 1.00 0.00 H new ATOM 0 HB3 GLN A1112 0.311 2.482 15.782 1.00 0.00 H new ATOM 0 HG2 GLN A1112 1.471 1.281 17.481 1.00 0.00 H new ATOM 0 HG3 GLN A1112 2.560 0.534 16.330 1.00 0.00 H new ATOM 0 HE21 GLN A1112 4.375 1.648 15.578 1.00 0.00 H new ATOM 0 HE22 GLN A1112 4.898 3.177 16.292 1.00 0.00 H new ATOM 698 N PRO A1113 -1.800 -0.008 13.734 1.00 0.00 N ATOM 699 CA PRO A1113 -2.913 0.221 12.807 1.00 0.00 C ATOM 700 C PRO A1113 -4.001 1.099 13.412 1.00 0.00 C ATOM 701 O PRO A1113 -4.882 1.587 12.705 1.00 0.00 O ATOM 702 CB PRO A1113 -3.455 -1.190 12.526 1.00 0.00 C ATOM 703 CG PRO A1113 -2.453 -2.129 13.111 1.00 0.00 C ATOM 704 CD PRO A1113 -1.799 -1.388 14.233 1.00 0.00 C ATOM 0 HA PRO A1113 -2.587 0.748 11.910 1.00 0.00 H new ATOM 0 HB2 PRO A1113 -4.436 -1.331 12.980 1.00 0.00 H new ATOM 0 HB3 PRO A1113 -3.572 -1.359 11.456 1.00 0.00 H new ATOM 0 HG2 PRO A1113 -2.934 -3.038 13.472 1.00 0.00 H new ATOM 0 HG3 PRO A1113 -1.720 -2.432 12.364 1.00 0.00 H new ATOM 0 HD2 PRO A1113 -2.357 -1.485 15.165 1.00 0.00 H new ATOM 0 HD3 PRO A1113 -0.789 -1.750 14.427 1.00 0.00 H new ATOM 712 N GLU A1114 -3.929 1.300 14.720 1.00 0.00 N ATOM 713 CA GLU A1114 -4.870 2.163 15.417 1.00 0.00 C ATOM 714 C GLU A1114 -4.454 3.623 15.270 1.00 0.00 C ATOM 715 O GLU A1114 -5.239 4.538 15.510 1.00 0.00 O ATOM 716 CB GLU A1114 -4.937 1.790 16.896 1.00 0.00 C ATOM 717 CG GLU A1114 -3.612 1.958 17.620 1.00 0.00 C ATOM 718 CD GLU A1114 -3.711 1.643 19.094 1.00 0.00 C ATOM 719 OE1 GLU A1114 -4.252 2.476 19.848 1.00 0.00 O ATOM 720 OE2 GLU A1114 -3.243 0.561 19.505 1.00 0.00 O ATOM 0 H GLU A1114 -3.224 0.874 15.322 1.00 0.00 H new ATOM 0 HA GLU A1114 -5.857 2.028 14.974 1.00 0.00 H new ATOM 0 HB2 GLU A1114 -5.691 2.407 17.385 1.00 0.00 H new ATOM 0 HB3 GLU A1114 -5.264 0.754 16.988 1.00 0.00 H new ATOM 0 HG2 GLU A1114 -2.867 1.307 17.162 1.00 0.00 H new ATOM 0 HG3 GLU A1114 -3.261 2.982 17.494 1.00 0.00 H new ATOM 727 N ARG A1115 -3.208 3.828 14.867 1.00 0.00 N ATOM 728 CA ARG A1115 -2.665 5.162 14.697 1.00 0.00 C ATOM 729 C ARG A1115 -2.560 5.498 13.216 1.00 0.00 C ATOM 730 O ARG A1115 -1.556 5.208 12.559 1.00 0.00 O ATOM 731 CB ARG A1115 -1.310 5.271 15.404 1.00 0.00 C ATOM 732 CG ARG A1115 -1.435 5.171 16.921 1.00 0.00 C ATOM 733 CD ARG A1115 -0.091 5.196 17.633 1.00 0.00 C ATOM 734 NE ARG A1115 -0.270 5.385 19.079 1.00 0.00 N ATOM 735 CZ ARG A1115 0.639 5.088 20.007 1.00 0.00 C ATOM 736 NH1 ARG A1115 1.791 4.523 19.682 1.00 0.00 N ATOM 737 NH2 ARG A1115 0.371 5.341 21.279 1.00 0.00 N ATOM 0 H ARG A1115 -2.551 3.078 14.651 1.00 0.00 H new ATOM 0 HA ARG A1115 -3.336 5.890 15.154 1.00 0.00 H new ATOM 0 HB2 ARG A1115 -0.651 4.481 15.044 1.00 0.00 H new ATOM 0 HB3 ARG A1115 -0.842 6.220 15.143 1.00 0.00 H new ATOM 0 HG2 ARG A1115 -2.047 5.996 17.284 1.00 0.00 H new ATOM 0 HG3 ARG A1115 -1.958 4.249 17.177 1.00 0.00 H new ATOM 0 HD2 ARG A1115 0.442 4.263 17.447 1.00 0.00 H new ATOM 0 HD3 ARG A1115 0.524 6.000 17.230 1.00 0.00 H new ATOM 0 HE ARG A1115 -1.158 5.773 19.397 1.00 0.00 H new ATOM 0 HH11 ARG A1115 1.996 4.307 18.706 1.00 0.00 H new ATOM 0 HH12 ARG A1115 2.474 4.303 20.407 1.00 0.00 H new ATOM 0 HH21 ARG A1115 -0.523 5.758 21.539 1.00 0.00 H new ATOM 0 HH22 ARG A1115 1.058 5.118 21.999 1.00 0.00 H new ATOM 751 N LYS A1116 -3.630 6.090 12.698 1.00 0.00 N ATOM 752 CA LYS A1116 -3.711 6.458 11.291 1.00 0.00 C ATOM 753 C LYS A1116 -4.041 7.935 11.173 1.00 0.00 C ATOM 754 O LYS A1116 -4.535 8.548 12.122 1.00 0.00 O ATOM 755 CB LYS A1116 -4.788 5.652 10.538 1.00 0.00 C ATOM 756 CG LYS A1116 -5.245 4.365 11.217 1.00 0.00 C ATOM 757 CD LYS A1116 -6.195 4.634 12.380 1.00 0.00 C ATOM 758 CE LYS A1116 -7.446 5.376 11.939 1.00 0.00 C ATOM 759 NZ LYS A1116 -8.333 5.694 13.087 1.00 0.00 N ATOM 0 H LYS A1116 -4.462 6.327 13.239 1.00 0.00 H new ATOM 0 HA LYS A1116 -2.743 6.236 10.841 1.00 0.00 H new ATOM 0 HB2 LYS A1116 -5.658 6.292 10.390 1.00 0.00 H new ATOM 0 HB3 LYS A1116 -4.404 5.403 9.549 1.00 0.00 H new ATOM 0 HG2 LYS A1116 -5.740 3.726 10.486 1.00 0.00 H new ATOM 0 HG3 LYS A1116 -4.374 3.819 11.580 1.00 0.00 H new ATOM 0 HD2 LYS A1116 -6.479 3.688 12.841 1.00 0.00 H new ATOM 0 HD3 LYS A1116 -5.678 5.217 13.142 1.00 0.00 H new ATOM 0 HE2 LYS A1116 -7.162 6.299 11.433 1.00 0.00 H new ATOM 0 HE3 LYS A1116 -7.991 4.770 11.215 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 -9.175 6.200 12.745 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 -8.625 4.812 13.555 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 -7.821 6.293 13.766 1.00 0.00 H new ATOM 773 N GLY A1117 -3.777 8.500 10.012 1.00 0.00 N ATOM 774 CA GLY A1117 -4.084 9.891 9.786 1.00 0.00 C ATOM 775 C GLY A1117 -3.321 10.453 8.610 1.00 0.00 C ATOM 776 O GLY A1117 -2.671 9.710 7.869 1.00 0.00 O ATOM 0 H GLY A1117 -3.354 8.019 9.218 1.00 0.00 H new ATOM 0 HA2 GLY A1117 -5.154 10.003 9.611 1.00 0.00 H new ATOM 0 HA3 GLY A1117 -3.846 10.465 10.681 1.00 0.00 H new ATOM 780 N VAL A1118 -3.403 11.761 8.437 1.00 0.00 N ATOM 781 CA VAL A1118 -2.692 12.431 7.363 1.00 0.00 C ATOM 782 C VAL A1118 -1.397 13.039 7.885 1.00 0.00 C ATOM 783 O VAL A1118 -1.406 13.860 8.805 1.00 0.00 O ATOM 784 CB VAL A1118 -3.553 13.526 6.709 1.00 0.00 C ATOM 785 CG1 VAL A1118 -2.867 14.077 5.468 1.00 0.00 C ATOM 786 CG2 VAL A1118 -4.930 12.983 6.362 1.00 0.00 C ATOM 0 H VAL A1118 -3.956 12.381 9.028 1.00 0.00 H new ATOM 0 HA VAL A1118 -2.463 11.682 6.605 1.00 0.00 H new ATOM 0 HB VAL A1118 -3.674 14.341 7.423 1.00 0.00 H new ATOM 0 HG11 VAL A1118 -3.491 14.850 5.020 1.00 0.00 H new ATOM 0 HG12 VAL A1118 -1.903 14.504 5.745 1.00 0.00 H new ATOM 0 HG13 VAL A1118 -2.714 13.272 4.749 1.00 0.00 H new ATOM 0 HG21 VAL A1118 -5.526 13.770 5.900 1.00 0.00 H new ATOM 0 HG22 VAL A1118 -4.828 12.150 5.666 1.00 0.00 H new ATOM 0 HG23 VAL A1118 -5.425 12.639 7.270 1.00 0.00 H new ATOM 796 N PHE A1119 -0.294 12.615 7.300 1.00 0.00 N ATOM 797 CA PHE A1119 1.034 13.033 7.734 1.00 0.00 C ATOM 798 C PHE A1119 1.746 13.856 6.661 1.00 0.00 C ATOM 799 O PHE A1119 1.599 13.599 5.464 1.00 0.00 O ATOM 800 CB PHE A1119 1.874 11.803 8.097 1.00 0.00 C ATOM 801 CG PHE A1119 1.839 10.702 7.075 1.00 0.00 C ATOM 802 CD1 PHE A1119 0.836 9.751 7.112 1.00 0.00 C ATOM 803 CD2 PHE A1119 2.811 10.609 6.091 1.00 0.00 C ATOM 804 CE1 PHE A1119 0.799 8.728 6.190 1.00 0.00 C ATOM 805 CE2 PHE A1119 2.776 9.586 5.163 1.00 0.00 C ATOM 806 CZ PHE A1119 1.768 8.644 5.215 1.00 0.00 C ATOM 0 H PHE A1119 -0.288 11.970 6.509 1.00 0.00 H new ATOM 0 HA PHE A1119 0.915 13.667 8.613 1.00 0.00 H new ATOM 0 HB2 PHE A1119 2.908 12.115 8.242 1.00 0.00 H new ATOM 0 HB3 PHE A1119 1.524 11.408 9.051 1.00 0.00 H new ATOM 0 HD1 PHE A1119 0.072 9.811 7.873 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.603 11.343 6.049 1.00 0.00 H new ATOM 0 HE1 PHE A1119 0.010 7.992 6.232 1.00 0.00 H new ATOM 0 HE2 PHE A1119 3.536 9.523 4.398 1.00 0.00 H new ATOM 0 HZ PHE A1119 1.739 7.842 4.492 1.00 0.00 H new ATOM 816 N PRO A1120 2.513 14.875 7.086 1.00 0.00 N ATOM 817 CA PRO A1120 3.306 15.698 6.177 1.00 0.00 C ATOM 818 C PRO A1120 4.547 14.969 5.671 1.00 0.00 C ATOM 819 O PRO A1120 5.356 14.459 6.454 1.00 0.00 O ATOM 820 CB PRO A1120 3.709 16.898 7.032 1.00 0.00 C ATOM 821 CG PRO A1120 3.692 16.399 8.433 1.00 0.00 C ATOM 822 CD PRO A1120 2.649 15.314 8.489 1.00 0.00 C ATOM 0 HA PRO A1120 2.744 15.967 5.283 1.00 0.00 H new ATOM 0 HB2 PRO A1120 4.698 17.264 6.756 1.00 0.00 H new ATOM 0 HB3 PRO A1120 3.014 17.727 6.900 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.670 16.012 8.719 1.00 0.00 H new ATOM 0 HG3 PRO A1120 3.452 17.204 9.128 1.00 0.00 H new ATOM 0 HD2 PRO A1120 2.961 14.494 9.135 1.00 0.00 H new ATOM 0 HD3 PRO A1120 1.704 15.689 8.883 1.00 0.00 H new ATOM 830 N VAL A1121 4.696 14.942 4.355 1.00 0.00 N ATOM 831 CA VAL A1121 5.839 14.306 3.716 1.00 0.00 C ATOM 832 C VAL A1121 7.124 15.071 4.052 1.00 0.00 C ATOM 833 O VAL A1121 8.230 14.554 3.915 1.00 0.00 O ATOM 834 CB VAL A1121 5.644 14.225 2.183 1.00 0.00 C ATOM 835 CG1 VAL A1121 6.843 13.573 1.503 1.00 0.00 C ATOM 836 CG2 VAL A1121 4.369 13.461 1.845 1.00 0.00 C ATOM 0 H VAL A1121 4.032 15.358 3.702 1.00 0.00 H new ATOM 0 HA VAL A1121 5.923 13.289 4.099 1.00 0.00 H new ATOM 0 HB VAL A1121 5.556 15.244 1.807 1.00 0.00 H new ATOM 0 HG11 VAL A1121 6.673 13.532 0.427 1.00 0.00 H new ATOM 0 HG12 VAL A1121 7.740 14.158 1.707 1.00 0.00 H new ATOM 0 HG13 VAL A1121 6.974 12.562 1.888 1.00 0.00 H new ATOM 0 HG21 VAL A1121 4.249 13.414 0.763 1.00 0.00 H new ATOM 0 HG22 VAL A1121 4.433 12.450 2.247 1.00 0.00 H new ATOM 0 HG23 VAL A1121 3.512 13.972 2.284 1.00 0.00 H new ATOM 846 N SER A1122 6.962 16.296 4.536 1.00 0.00 N ATOM 847 CA SER A1122 8.086 17.141 4.911 1.00 0.00 C ATOM 848 C SER A1122 8.914 16.531 6.041 1.00 0.00 C ATOM 849 O SER A1122 10.106 16.811 6.169 1.00 0.00 O ATOM 850 CB SER A1122 7.561 18.512 5.326 1.00 0.00 C ATOM 851 OG SER A1122 6.140 18.522 5.322 1.00 0.00 O ATOM 0 H SER A1122 6.050 16.730 4.679 1.00 0.00 H new ATOM 0 HA SER A1122 8.744 17.234 4.047 1.00 0.00 H new ATOM 0 HB2 SER A1122 7.930 18.764 6.320 1.00 0.00 H new ATOM 0 HB3 SER A1122 7.938 19.274 4.644 1.00 0.00 H new ATOM 0 HG SER A1122 5.820 19.389 4.996 1.00 0.00 H new ATOM 857 N PHE A1123 8.286 15.689 6.850 1.00 0.00 N ATOM 858 CA PHE A1123 8.948 15.137 8.026 1.00 0.00 C ATOM 859 C PHE A1123 9.227 13.649 7.848 1.00 0.00 C ATOM 860 O PHE A1123 9.751 12.987 8.749 1.00 0.00 O ATOM 861 CB PHE A1123 8.091 15.354 9.273 1.00 0.00 C ATOM 862 CG PHE A1123 7.851 16.798 9.637 1.00 0.00 C ATOM 863 CD1 PHE A1123 7.435 17.719 8.690 1.00 0.00 C ATOM 864 CD2 PHE A1123 8.011 17.223 10.942 1.00 0.00 C ATOM 865 CE1 PHE A1123 7.188 19.024 9.027 1.00 0.00 C ATOM 866 CE2 PHE A1123 7.755 18.531 11.298 1.00 0.00 C ATOM 867 CZ PHE A1123 7.342 19.440 10.331 1.00 0.00 C ATOM 0 H PHE A1123 7.325 15.374 6.716 1.00 0.00 H new ATOM 0 HA PHE A1123 9.898 15.657 8.149 1.00 0.00 H new ATOM 0 HB2 PHE A1123 7.127 14.868 9.122 1.00 0.00 H new ATOM 0 HB3 PHE A1123 8.571 14.857 10.116 1.00 0.00 H new ATOM 0 HD1 PHE A1123 7.303 17.402 7.666 1.00 0.00 H new ATOM 0 HD2 PHE A1123 8.341 16.521 11.694 1.00 0.00 H new ATOM 0 HE1 PHE A1123 6.872 19.727 8.270 1.00 0.00 H new ATOM 0 HE2 PHE A1123 7.875 18.847 12.324 1.00 0.00 H new ATOM 0 HZ PHE A1123 7.143 20.467 10.601 1.00 0.00 H new ATOM 877 N VAL A1124 8.873 13.123 6.690 1.00 0.00 N ATOM 878 CA VAL A1124 9.100 11.715 6.398 1.00 0.00 C ATOM 879 C VAL A1124 9.885 11.563 5.108 1.00 0.00 C ATOM 880 O VAL A1124 10.180 12.545 4.427 1.00 0.00 O ATOM 881 CB VAL A1124 7.780 10.910 6.293 1.00 0.00 C ATOM 882 CG1 VAL A1124 7.115 10.780 7.649 1.00 0.00 C ATOM 883 CG2 VAL A1124 6.825 11.553 5.308 1.00 0.00 C ATOM 0 H VAL A1124 8.428 13.646 5.936 1.00 0.00 H new ATOM 0 HA VAL A1124 9.671 11.310 7.233 1.00 0.00 H new ATOM 0 HB VAL A1124 8.032 9.913 5.930 1.00 0.00 H new ATOM 0 HG11 VAL A1124 6.191 10.211 7.548 1.00 0.00 H new ATOM 0 HG12 VAL A1124 7.786 10.263 8.335 1.00 0.00 H new ATOM 0 HG13 VAL A1124 6.889 11.772 8.040 1.00 0.00 H new ATOM 0 HG21 VAL A1124 5.908 10.967 5.255 1.00 0.00 H new ATOM 0 HG22 VAL A1124 6.590 12.565 5.637 1.00 0.00 H new ATOM 0 HG23 VAL A1124 7.289 11.590 4.323 1.00 0.00 H new ATOM 893 N HIS A1125 10.244 10.338 4.787 1.00 0.00 N ATOM 894 CA HIS A1125 10.973 10.063 3.568 1.00 0.00 C ATOM 895 C HIS A1125 10.401 8.816 2.918 1.00 0.00 C ATOM 896 O HIS A1125 10.122 7.824 3.598 1.00 0.00 O ATOM 897 CB HIS A1125 12.455 9.878 3.882 1.00 0.00 C ATOM 898 CG HIS A1125 13.360 10.190 2.734 1.00 0.00 C ATOM 899 ND1 HIS A1125 13.499 11.458 2.214 1.00 0.00 N ATOM 900 CD2 HIS A1125 14.182 9.399 2.013 1.00 0.00 C ATOM 901 CE1 HIS A1125 14.369 11.432 1.227 1.00 0.00 C ATOM 902 NE2 HIS A1125 14.803 10.194 1.081 1.00 0.00 N ATOM 0 H HIS A1125 10.042 9.515 5.355 1.00 0.00 H new ATOM 0 HA HIS A1125 10.872 10.901 2.878 1.00 0.00 H new ATOM 0 HB2 HIS A1125 12.720 10.516 4.725 1.00 0.00 H new ATOM 0 HB3 HIS A1125 12.624 8.848 4.196 1.00 0.00 H new ATOM 0 HD2 HIS A1125 14.325 8.337 2.145 1.00 0.00 H new ATOM 0 HE1 HIS A1125 14.677 12.282 0.635 1.00 0.00 H new ATOM 0 HE2 HIS A1125 15.486 9.880 0.391 1.00 0.00 H new ATOM 911 N ILE A1126 10.207 8.880 1.609 1.00 0.00 N ATOM 912 CA ILE A1126 9.585 7.789 0.873 1.00 0.00 C ATOM 913 C ILE A1126 10.489 6.561 0.859 1.00 0.00 C ATOM 914 O ILE A1126 11.657 6.631 0.467 1.00 0.00 O ATOM 915 CB ILE A1126 9.204 8.208 -0.576 1.00 0.00 C ATOM 916 CG1 ILE A1126 7.876 8.981 -0.596 1.00 0.00 C ATOM 917 CG2 ILE A1126 9.108 6.997 -1.494 1.00 0.00 C ATOM 918 CD1 ILE A1126 7.901 10.301 0.144 1.00 0.00 C ATOM 0 H ILE A1126 10.472 9.679 1.033 1.00 0.00 H new ATOM 0 HA ILE A1126 8.661 7.534 1.392 1.00 0.00 H new ATOM 0 HB ILE A1126 9.997 8.860 -0.942 1.00 0.00 H new ATOM 0 HG12 ILE A1126 7.595 9.167 -1.633 1.00 0.00 H new ATOM 0 HG13 ILE A1126 7.099 8.352 -0.163 1.00 0.00 H new ATOM 0 HG21 ILE A1126 8.840 7.323 -2.499 1.00 0.00 H new ATOM 0 HG22 ILE A1126 10.070 6.485 -1.523 1.00 0.00 H new ATOM 0 HG23 ILE A1126 8.345 6.315 -1.118 1.00 0.00 H new ATOM 0 HD11 ILE A1126 6.922 10.775 0.076 1.00 0.00 H new ATOM 0 HD12 ILE A1126 8.148 10.126 1.191 1.00 0.00 H new ATOM 0 HD13 ILE A1126 8.652 10.954 -0.302 1.00 0.00 H new ATOM 930 N LEU A1127 9.931 5.445 1.307 1.00 0.00 N ATOM 931 CA LEU A1127 10.674 4.205 1.448 1.00 0.00 C ATOM 932 C LEU A1127 10.309 3.237 0.333 1.00 0.00 C ATOM 933 O LEU A1127 11.155 2.870 -0.480 1.00 0.00 O ATOM 934 CB LEU A1127 10.354 3.577 2.808 1.00 0.00 C ATOM 935 CG LEU A1127 11.536 2.935 3.516 1.00 0.00 C ATOM 936 CD1 LEU A1127 12.620 3.969 3.720 1.00 0.00 C ATOM 937 CD2 LEU A1127 11.103 2.347 4.848 1.00 0.00 C ATOM 0 H LEU A1127 8.951 5.376 1.582 1.00 0.00 H new ATOM 0 HA LEU A1127 11.741 4.419 1.384 1.00 0.00 H new ATOM 0 HB2 LEU A1127 9.936 4.347 3.457 1.00 0.00 H new ATOM 0 HB3 LEU A1127 9.580 2.822 2.669 1.00 0.00 H new ATOM 0 HG LEU A1127 11.926 2.124 2.900 1.00 0.00 H new ATOM 0 HD11 LEU A1127 13.469 3.511 4.228 1.00 0.00 H new ATOM 0 HD12 LEU A1127 12.941 4.355 2.753 1.00 0.00 H new ATOM 0 HD13 LEU A1127 12.233 4.787 4.327 1.00 0.00 H new ATOM 0 HD21 LEU A1127 11.962 1.892 5.341 1.00 0.00 H new ATOM 0 HD22 LEU A1127 10.699 3.137 5.480 1.00 0.00 H new ATOM 0 HD23 LEU A1127 10.337 1.590 4.680 1.00 0.00 H new ATOM 949 N SER A1128 9.036 2.847 0.302 1.00 0.00 N ATOM 950 CA SER A1128 8.527 1.891 -0.680 1.00 0.00 C ATOM 951 C SER A1128 9.353 0.601 -0.690 1.00 0.00 C ATOM 952 O SER A1128 10.034 0.288 -1.667 1.00 0.00 O ATOM 953 CB SER A1128 8.490 2.520 -2.079 1.00 0.00 C ATOM 954 OG SER A1128 7.602 3.629 -2.112 1.00 0.00 O ATOM 0 H SER A1128 8.329 3.184 0.956 1.00 0.00 H new ATOM 0 HA SER A1128 7.509 1.630 -0.389 1.00 0.00 H new ATOM 0 HB2 SER A1128 9.492 2.842 -2.364 1.00 0.00 H new ATOM 0 HB3 SER A1128 8.175 1.775 -2.809 1.00 0.00 H new ATOM 0 HG SER A1128 7.595 4.016 -3.012 1.00 0.00 H new ATOM 960 N ASP A1129 9.301 -0.136 0.411 1.00 0.00 N ATOM 961 CA ASP A1129 9.970 -1.426 0.490 1.00 0.00 C ATOM 962 C ASP A1129 8.947 -2.548 0.407 1.00 0.00 C ATOM 963 O ASP A1129 8.606 -3.131 1.457 1.00 0.00 O ATOM 964 CB ASP A1129 10.782 -1.554 1.783 1.00 0.00 C ATOM 965 CG ASP A1129 12.045 -0.717 1.769 1.00 0.00 C ATOM 966 OD1 ASP A1129 12.847 -0.850 0.818 1.00 0.00 O ATOM 967 OD2 ASP A1129 12.251 0.073 2.714 1.00 0.00 O ATOM 968 OXT ASP A1129 8.462 -2.820 -0.707 1.00 0.00 O ATOM 0 H ASP A1129 8.804 0.137 1.259 1.00 0.00 H new ATOM 0 HA ASP A1129 10.659 -1.500 -0.351 1.00 0.00 H new ATOM 0 HB2 ASP A1129 10.162 -1.253 2.627 1.00 0.00 H new ATOM 0 HB3 ASP A1129 11.047 -2.600 1.938 1.00 0.00 H new ATOM 974 N CYS B1578 17.619 8.070 12.916 1.00 0.00 N ATOM 975 CA CYS B1578 18.545 9.222 12.880 1.00 0.00 C ATOM 976 C CYS B1578 17.818 10.453 12.372 1.00 0.00 C ATOM 977 O CYS B1578 17.221 10.420 11.298 1.00 0.00 O ATOM 978 CB CYS B1578 19.727 8.915 11.961 1.00 0.00 C ATOM 979 SG CYS B1578 20.655 7.433 12.424 1.00 0.00 S ATOM 0 HA CYS B1578 18.913 9.409 13.889 1.00 0.00 H new ATOM 0 HB2 CYS B1578 19.360 8.797 10.941 1.00 0.00 H new ATOM 0 HB3 CYS B1578 20.404 9.769 11.960 1.00 0.00 H new ATOM 0 HG CYS B1578 21.634 7.255 11.587 1.00 0.00 H new ATOM 987 N ILE B1579 17.851 11.533 13.141 1.00 0.00 N ATOM 988 CA ILE B1579 17.200 12.762 12.722 1.00 0.00 C ATOM 989 C ILE B1579 17.894 13.331 11.501 1.00 0.00 C ATOM 990 O ILE B1579 19.099 13.591 11.518 1.00 0.00 O ATOM 991 CB ILE B1579 17.176 13.840 13.827 1.00 0.00 C ATOM 992 CG1 ILE B1579 16.260 13.417 14.973 1.00 0.00 C ATOM 993 CG2 ILE B1579 16.730 15.184 13.260 1.00 0.00 C ATOM 994 CD1 ILE B1579 16.022 14.524 15.975 1.00 0.00 C ATOM 0 H ILE B1579 18.316 11.582 14.047 1.00 0.00 H new ATOM 0 HA ILE B1579 16.168 12.498 12.492 1.00 0.00 H new ATOM 0 HB ILE B1579 18.188 13.949 14.216 1.00 0.00 H new ATOM 0 HG12 ILE B1579 15.303 13.091 14.565 1.00 0.00 H new ATOM 0 HG13 ILE B1579 16.698 12.559 15.484 1.00 0.00 H new ATOM 0 HG21 ILE B1579 16.720 15.929 14.055 1.00 0.00 H new ATOM 0 HG22 ILE B1579 17.422 15.497 12.478 1.00 0.00 H new ATOM 0 HG23 ILE B1579 15.729 15.088 12.841 1.00 0.00 H new ATOM 0 HD11 ILE B1579 15.364 14.164 16.766 1.00 0.00 H new ATOM 0 HD12 ILE B1579 16.973 14.834 16.408 1.00 0.00 H new ATOM 0 HD13 ILE B1579 15.557 15.374 15.475 1.00 0.00 H new ATOM 1006 N ILE B1580 17.138 13.497 10.440 1.00 0.00 N ATOM 1007 CA ILE B1580 17.643 14.137 9.252 1.00 0.00 C ATOM 1008 C ILE B1580 17.720 15.634 9.489 1.00 0.00 C ATOM 1009 O ILE B1580 16.715 16.267 9.735 1.00 0.00 O ATOM 1010 CB ILE B1580 16.754 13.816 8.020 1.00 0.00 C ATOM 1011 CG1 ILE B1580 17.227 12.529 7.349 1.00 0.00 C ATOM 1012 CG2 ILE B1580 16.724 14.959 7.014 1.00 0.00 C ATOM 1013 CD1 ILE B1580 17.149 11.326 8.251 1.00 0.00 C ATOM 0 H ILE B1580 16.166 13.195 10.378 1.00 0.00 H new ATOM 0 HA ILE B1580 18.641 13.753 9.038 1.00 0.00 H new ATOM 0 HB ILE B1580 15.735 13.681 8.382 1.00 0.00 H new ATOM 0 HG12 ILE B1580 16.624 12.348 6.460 1.00 0.00 H new ATOM 0 HG13 ILE B1580 18.256 12.658 7.015 1.00 0.00 H new ATOM 0 HG21 ILE B1580 16.089 14.685 6.171 1.00 0.00 H new ATOM 0 HG22 ILE B1580 16.326 15.854 7.492 1.00 0.00 H new ATOM 0 HG23 ILE B1580 17.735 15.157 6.658 1.00 0.00 H new ATOM 0 HD11 ILE B1580 17.499 10.445 7.713 1.00 0.00 H new ATOM 0 HD12 ILE B1580 17.775 11.488 9.129 1.00 0.00 H new ATOM 0 HD13 ILE B1580 16.116 11.173 8.565 1.00 0.00 H new ATOM 1025 N SER B1581 18.928 16.161 9.514 1.00 0.00 N ATOM 1026 CA SER B1581 19.145 17.600 9.526 1.00 0.00 C ATOM 1027 C SER B1581 18.443 18.295 10.699 1.00 0.00 C ATOM 1028 O SER B1581 18.231 17.694 11.759 1.00 0.00 O ATOM 1029 CB SER B1581 18.648 18.170 8.200 1.00 0.00 C ATOM 1030 OG SER B1581 19.348 17.583 7.113 1.00 0.00 O ATOM 0 H SER B1581 19.786 15.609 9.527 1.00 0.00 H new ATOM 0 HA SER B1581 20.211 17.785 9.654 1.00 0.00 H new ATOM 0 HB2 SER B1581 17.579 17.984 8.095 1.00 0.00 H new ATOM 0 HB3 SER B1581 18.786 19.251 8.188 1.00 0.00 H new ATOM 0 HG SER B1581 19.017 17.957 6.270 1.00 0.00 H new ATOM 1036 N ALA B1582 18.135 19.573 10.517 1.00 0.00 N ATOM 1037 CA ALA B1582 17.309 20.312 11.452 1.00 0.00 C ATOM 1038 C ALA B1582 15.850 20.208 11.030 1.00 0.00 C ATOM 1039 O ALA B1582 15.561 19.954 9.863 1.00 0.00 O ATOM 1040 CB ALA B1582 17.745 21.765 11.509 1.00 0.00 C ATOM 0 H ALA B1582 18.452 20.122 9.718 1.00 0.00 H new ATOM 0 HA ALA B1582 17.423 19.885 12.448 1.00 0.00 H new ATOM 0 HB1 ALA B1582 17.115 22.306 12.215 1.00 0.00 H new ATOM 0 HB2 ALA B1582 18.784 21.821 11.833 1.00 0.00 H new ATOM 0 HB3 ALA B1582 17.649 22.213 10.520 1.00 0.00 H new ATOM 1046 N MET B1583 14.943 20.426 11.973 1.00 0.00 N ATOM 1047 CA MET B1583 13.516 20.219 11.744 1.00 0.00 C ATOM 1048 C MET B1583 12.966 21.100 10.617 1.00 0.00 C ATOM 1049 O MET B1583 13.341 22.266 10.480 1.00 0.00 O ATOM 1050 CB MET B1583 12.742 20.480 13.039 1.00 0.00 C ATOM 1051 CG MET B1583 11.239 20.564 12.835 1.00 0.00 C ATOM 1052 SD MET B1583 10.306 19.656 14.074 1.00 0.00 S ATOM 1053 CE MET B1583 10.825 17.988 13.690 1.00 0.00 C ATOM 0 H MET B1583 15.172 20.749 12.913 1.00 0.00 H new ATOM 0 HA MET B1583 13.384 19.183 11.432 1.00 0.00 H new ATOM 0 HB2 MET B1583 12.961 19.685 13.751 1.00 0.00 H new ATOM 0 HB3 MET B1583 13.094 21.411 13.483 1.00 0.00 H new ATOM 0 HG2 MET B1583 10.934 21.610 12.854 1.00 0.00 H new ATOM 0 HG3 MET B1583 10.991 20.177 11.847 1.00 0.00 H new ATOM 0 HE1 MET B1583 9.969 17.413 13.336 1.00 0.00 H new ATOM 0 HE2 MET B1583 11.590 18.015 12.914 1.00 0.00 H new ATOM 0 HE3 MET B1583 11.232 17.518 14.585 1.00 0.00 H new ATOM 1063 N PRO B1584 12.057 20.536 9.796 1.00 0.00 N ATOM 1064 CA PRO B1584 11.377 21.257 8.736 1.00 0.00 C ATOM 1065 C PRO B1584 10.128 21.947 9.262 1.00 0.00 C ATOM 1066 O PRO B1584 9.837 21.909 10.460 1.00 0.00 O ATOM 1067 CB PRO B1584 11.013 20.147 7.754 1.00 0.00 C ATOM 1068 CG PRO B1584 10.760 18.962 8.613 1.00 0.00 C ATOM 1069 CD PRO B1584 11.602 19.137 9.853 1.00 0.00 C ATOM 0 HA PRO B1584 11.983 22.047 8.292 1.00 0.00 H new ATOM 0 HB2 PRO B1584 10.132 20.408 7.168 1.00 0.00 H new ATOM 0 HB3 PRO B1584 11.822 19.960 7.048 1.00 0.00 H new ATOM 0 HG2 PRO B1584 9.703 18.889 8.870 1.00 0.00 H new ATOM 0 HG3 PRO B1584 11.026 18.042 8.092 1.00 0.00 H new ATOM 0 HD2 PRO B1584 11.023 18.945 10.756 1.00 0.00 H new ATOM 0 HD3 PRO B1584 12.445 18.446 9.861 1.00 0.00 H new ATOM 1077 N THR B1585 9.385 22.563 8.377 1.00 0.00 N ATOM 1078 CA THR B1585 8.216 23.302 8.779 1.00 0.00 C ATOM 1079 C THR B1585 6.967 22.608 8.283 1.00 0.00 C ATOM 1080 O THR B1585 6.899 22.189 7.123 1.00 0.00 O ATOM 1081 CB THR B1585 8.241 24.738 8.231 1.00 0.00 C ATOM 1082 OG1 THR B1585 9.497 25.354 8.535 1.00 0.00 O ATOM 1083 CG2 THR B1585 7.109 25.570 8.821 1.00 0.00 C ATOM 0 H THR B1585 9.569 22.567 7.374 1.00 0.00 H new ATOM 0 HA THR B1585 8.214 23.345 9.868 1.00 0.00 H new ATOM 0 HB THR B1585 8.107 24.690 7.150 1.00 0.00 H new ATOM 0 HG1 THR B1585 9.507 26.268 8.182 1.00 0.00 H new ATOM 0 HG21 THR B1585 7.151 26.581 8.416 1.00 0.00 H new ATOM 0 HG22 THR B1585 6.152 25.116 8.565 1.00 0.00 H new ATOM 0 HG23 THR B1585 7.213 25.609 9.905 1.00 0.00 H new ATOM 1091 N LYS B1586 6.003 22.454 9.174 1.00 0.00 N ATOM 1092 CA LYS B1586 4.690 21.994 8.784 1.00 0.00 C ATOM 1093 C LYS B1586 4.113 23.005 7.815 1.00 0.00 C ATOM 1094 O LYS B1586 3.644 24.072 8.209 1.00 0.00 O ATOM 1095 CB LYS B1586 3.775 21.841 9.992 1.00 0.00 C ATOM 1096 CG LYS B1586 2.508 21.071 9.688 1.00 0.00 C ATOM 1097 CD LYS B1586 1.595 21.030 10.894 1.00 0.00 C ATOM 1098 CE LYS B1586 2.303 20.438 12.112 1.00 0.00 C ATOM 1099 NZ LYS B1586 1.444 20.435 13.328 1.00 0.00 N ATOM 0 H LYS B1586 6.109 22.642 10.171 1.00 0.00 H new ATOM 0 HA LYS B1586 4.771 21.013 8.315 1.00 0.00 H new ATOM 0 HB2 LYS B1586 4.318 21.333 10.789 1.00 0.00 H new ATOM 0 HB3 LYS B1586 3.510 22.830 10.366 1.00 0.00 H new ATOM 0 HG2 LYS B1586 1.988 21.535 8.850 1.00 0.00 H new ATOM 0 HG3 LYS B1586 2.760 20.055 9.384 1.00 0.00 H new ATOM 0 HD2 LYS B1586 1.251 22.038 11.126 1.00 0.00 H new ATOM 0 HD3 LYS B1586 0.710 20.437 10.662 1.00 0.00 H new ATOM 0 HE2 LYS B1586 2.612 19.417 11.887 1.00 0.00 H new ATOM 0 HE3 LYS B1586 3.210 21.008 12.314 1.00 0.00 H new ATOM 0 HZ1 LYS B1586 2.031 20.251 14.167 1.00 0.00 H new ATOM 0 HZ2 LYS B1586 0.979 21.360 13.427 1.00 0.00 H new ATOM 0 HZ3 LYS B1586 0.722 19.692 13.241 1.00 0.00 H new ATOM 1113 N SER B1587 4.163 22.657 6.548 1.00 0.00 N ATOM 1114 CA SER B1587 3.825 23.587 5.472 1.00 0.00 C ATOM 1115 C SER B1587 2.316 23.803 5.382 1.00 0.00 C ATOM 1116 O SER B1587 1.823 24.461 4.462 1.00 0.00 O ATOM 1117 CB SER B1587 4.377 23.064 4.140 1.00 0.00 C ATOM 1118 OG SER B1587 4.369 24.068 3.137 1.00 0.00 O ATOM 0 H SER B1587 4.437 21.728 6.227 1.00 0.00 H new ATOM 0 HA SER B1587 4.283 24.551 5.693 1.00 0.00 H new ATOM 0 HB2 SER B1587 5.395 22.703 4.285 1.00 0.00 H new ATOM 0 HB3 SER B1587 3.781 22.214 3.808 1.00 0.00 H new ATOM 0 HG SER B1587 3.587 24.646 3.259 1.00 0.00 H new ATOM 1124 N SER B1588 1.603 23.262 6.368 1.00 0.00 N ATOM 1125 CA SER B1588 0.151 23.296 6.413 1.00 0.00 C ATOM 1126 C SER B1588 -0.449 22.478 5.274 1.00 0.00 C ATOM 1127 O SER B1588 0.144 22.315 4.206 1.00 0.00 O ATOM 1128 CB SER B1588 -0.371 24.736 6.390 1.00 0.00 C ATOM 1129 OG SER B1588 0.141 25.481 7.486 1.00 0.00 O ATOM 0 H SER B1588 2.026 22.784 7.164 1.00 0.00 H new ATOM 0 HA SER B1588 -0.164 22.845 7.354 1.00 0.00 H new ATOM 0 HB2 SER B1588 -0.084 25.216 5.454 1.00 0.00 H new ATOM 0 HB3 SER B1588 -1.460 24.732 6.426 1.00 0.00 H new ATOM 0 HG SER B1588 -0.205 26.397 7.449 1.00 0.00 H new ATOM 1135 N ARG B1589 -1.615 21.934 5.527 1.00 0.00 N ATOM 1136 CA ARG B1589 -2.271 21.055 4.582 1.00 0.00 C ATOM 1137 C ARG B1589 -3.193 21.860 3.685 1.00 0.00 C ATOM 1138 O ARG B1589 -4.181 22.423 4.139 1.00 0.00 O ATOM 1139 CB ARG B1589 -3.007 19.980 5.373 1.00 0.00 C ATOM 1140 CG ARG B1589 -3.773 18.954 4.563 1.00 0.00 C ATOM 1141 CD ARG B1589 -3.970 17.713 5.411 1.00 0.00 C ATOM 1142 NE ARG B1589 -5.186 16.980 5.089 1.00 0.00 N ATOM 1143 CZ ARG B1589 -5.897 16.309 5.995 1.00 0.00 C ATOM 1144 NH1 ARG B1589 -5.515 16.297 7.266 1.00 0.00 N ATOM 1145 NH2 ARG B1589 -6.975 15.631 5.632 1.00 0.00 N ATOM 0 H ARG B1589 -2.137 22.086 6.390 1.00 0.00 H new ATOM 0 HA ARG B1589 -1.551 20.566 3.926 1.00 0.00 H new ATOM 0 HB2 ARG B1589 -2.280 19.454 5.992 1.00 0.00 H new ATOM 0 HB3 ARG B1589 -3.706 20.472 6.050 1.00 0.00 H new ATOM 0 HG2 ARG B1589 -4.737 19.359 4.256 1.00 0.00 H new ATOM 0 HG3 ARG B1589 -3.227 18.707 3.653 1.00 0.00 H new ATOM 0 HD2 ARG B1589 -3.112 17.053 5.281 1.00 0.00 H new ATOM 0 HD3 ARG B1589 -3.995 18.000 6.462 1.00 0.00 H new ATOM 0 HE ARG B1589 -5.510 16.980 4.122 1.00 0.00 H new ATOM 0 HH11 ARG B1589 -4.676 16.802 7.551 1.00 0.00 H new ATOM 0 HH12 ARG B1589 -6.061 15.783 7.958 1.00 0.00 H new ATOM 0 HH21 ARG B1589 -7.265 15.620 4.654 1.00 0.00 H new ATOM 0 HH22 ARG B1589 -7.515 15.120 6.330 1.00 0.00 H new ATOM 1159 N LYS B1590 -2.829 21.919 2.409 1.00 0.00 N ATOM 1160 CA LYS B1590 -3.500 22.784 1.441 1.00 0.00 C ATOM 1161 C LYS B1590 -4.972 22.422 1.303 1.00 0.00 C ATOM 1162 O LYS B1590 -5.818 23.297 1.133 1.00 0.00 O ATOM 1163 CB LYS B1590 -2.807 22.710 0.070 1.00 0.00 C ATOM 1164 CG LYS B1590 -1.357 23.195 0.065 1.00 0.00 C ATOM 1165 CD LYS B1590 -0.422 22.216 0.762 1.00 0.00 C ATOM 1166 CE LYS B1590 1.021 22.688 0.746 1.00 0.00 C ATOM 1167 NZ LYS B1590 1.545 22.843 -0.638 1.00 0.00 N ATOM 0 H LYS B1590 -2.064 21.371 2.016 1.00 0.00 H new ATOM 0 HA LYS B1590 -3.433 23.806 1.813 1.00 0.00 H new ATOM 0 HB2 LYS B1590 -2.833 21.678 -0.281 1.00 0.00 H new ATOM 0 HB3 LYS B1590 -3.378 23.304 -0.644 1.00 0.00 H new ATOM 0 HG2 LYS B1590 -1.027 23.340 -0.964 1.00 0.00 H new ATOM 0 HG3 LYS B1590 -1.298 24.165 0.558 1.00 0.00 H new ATOM 0 HD2 LYS B1590 -0.746 22.079 1.794 1.00 0.00 H new ATOM 0 HD3 LYS B1590 -0.489 21.243 0.275 1.00 0.00 H new ATOM 0 HE2 LYS B1590 1.096 23.641 1.270 1.00 0.00 H new ATOM 0 HE3 LYS B1590 1.641 21.975 1.290 1.00 0.00 H new ATOM 0 HZ1 LYS B1590 2.577 22.967 -0.607 1.00 0.00 H new ATOM 0 HZ2 LYS B1590 1.315 21.995 -1.193 1.00 0.00 H new ATOM 0 HZ3 LYS B1590 1.110 23.676 -1.083 1.00 0.00 H new ATOM 1181 N ALA B1591 -5.279 21.134 1.391 1.00 0.00 N ATOM 1182 CA ALA B1591 -6.660 20.672 1.334 1.00 0.00 C ATOM 1183 C ALA B1591 -7.309 20.734 2.718 1.00 0.00 C ATOM 1184 O ALA B1591 -8.161 19.915 3.062 1.00 0.00 O ATOM 1185 CB ALA B1591 -6.713 19.257 0.775 1.00 0.00 C ATOM 0 H ALA B1591 -4.590 20.390 1.502 1.00 0.00 H new ATOM 0 HA ALA B1591 -7.222 21.330 0.671 1.00 0.00 H new ATOM 0 HB1 ALA B1591 -7.749 18.920 0.736 1.00 0.00 H new ATOM 0 HB2 ALA B1591 -6.290 19.247 -0.229 1.00 0.00 H new ATOM 0 HB3 ALA B1591 -6.138 18.590 1.418 1.00 0.00 H new