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: A1122 SER OG : rot -111:sc= 1.33 USER MOD Set 1.2: B1587 SER OG : rot -136:sc= 0.12 USER MOD Single : A1073 LYS NZ :NH3+ 161:sc= 0.0296 (180deg=-0.115) USER MOD Single : A1074 THR OG1 : rot 133:sc= 1.52 USER MOD Single : A1076 TYR OH : rot -165:sc= -0.591 USER MOD Single : A1078 CYS SG : rot 122:sc= -1.97! USER MOD Single : A1079 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1082 ASN :FLIP amide:sc= -0.0303 F(o=-1.5!,f=-0.03) USER MOD Single : A1087 THR OG1 : rot -143:sc= 1.03 USER MOD Single : A1097 THR OG1 : rot 180:sc= -0.905 USER MOD Single : A1102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1108 HIS : no HD1:sc=-0.00108 X(o=-0.0011,f=0) USER MOD Single : A1112 GLN : amide:sc= -1.04 X(o=-1,f=-0.71) USER MOD Single : A1116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1125 HIS : no HD1:sc=-0.00883 X(o=-0.0088,f=-0.17) USER MOD Single : A1128 SER OG : rot 180:sc= -0.548 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 -121:sc=-0.00136 (180deg=-0.147) USER MOD Single : B1585 THR OG1 : rot 180:sc= 0 USER MOD Single : B1586 LYS NZ :NH3+ -178:sc= 0.527! (180deg=0.445!) USER MOD Single : B1588 SER OG : rot 180:sc= 0 USER MOD Single : B1590 LYS NZ :NH3+ 137:sc= 1.19 (180deg=0.587) USER MOD ----------------------------------------------------------------- ATOM 19 N ARG A1070 2.624 2.431 -0.206 1.00 0.00 N ATOM 20 CA ARG A1070 3.952 3.016 -0.210 1.00 0.00 C ATOM 21 C ARG A1070 4.451 3.178 1.219 1.00 0.00 C ATOM 22 O ARG A1070 3.861 3.901 2.005 1.00 0.00 O ATOM 23 CB ARG A1070 3.906 4.369 -0.921 1.00 0.00 C ATOM 24 CG ARG A1070 5.236 5.095 -0.956 1.00 0.00 C ATOM 25 CD ARG A1070 5.128 6.404 -1.717 1.00 0.00 C ATOM 26 NE ARG A1070 4.774 6.197 -3.121 1.00 0.00 N ATOM 27 CZ ARG A1070 4.172 7.110 -3.883 1.00 0.00 C ATOM 28 NH1 ARG A1070 3.814 8.281 -3.373 1.00 0.00 N ATOM 29 NH2 ARG A1070 3.924 6.846 -5.157 1.00 0.00 N ATOM 0 HA ARG A1070 4.641 2.360 -0.742 1.00 0.00 H new ATOM 0 HB2 ARG A1070 3.559 4.219 -1.943 1.00 0.00 H new ATOM 0 HB3 ARG A1070 3.171 5.003 -0.425 1.00 0.00 H new ATOM 0 HG2 ARG A1070 5.574 5.290 0.062 1.00 0.00 H new ATOM 0 HG3 ARG A1070 5.988 4.460 -1.425 1.00 0.00 H new ATOM 0 HD2 ARG A1070 4.377 7.037 -1.244 1.00 0.00 H new ATOM 0 HD3 ARG A1070 6.077 6.937 -1.658 1.00 0.00 H new ATOM 0 HE ARG A1070 5.002 5.297 -3.544 1.00 0.00 H new ATOM 0 HH11 ARG A1070 3.999 8.488 -2.391 1.00 0.00 H new ATOM 0 HH12 ARG A1070 3.354 8.975 -3.962 1.00 0.00 H new ATOM 0 HH21 ARG A1070 4.194 5.946 -5.553 1.00 0.00 H new ATOM 0 HH22 ARG A1070 3.463 7.543 -5.742 1.00 0.00 H new ATOM 43 N ARG A1071 5.526 2.499 1.564 1.00 0.00 N ATOM 44 CA ARG A1071 6.041 2.572 2.920 1.00 0.00 C ATOM 45 C ARG A1071 6.955 3.780 3.086 1.00 0.00 C ATOM 46 O ARG A1071 7.792 4.063 2.225 1.00 0.00 O ATOM 47 CB ARG A1071 6.806 1.302 3.275 1.00 0.00 C ATOM 48 CG ARG A1071 6.843 1.030 4.766 1.00 0.00 C ATOM 49 CD ARG A1071 7.786 -0.106 5.108 1.00 0.00 C ATOM 50 NE ARG A1071 7.698 -1.207 4.148 1.00 0.00 N ATOM 51 CZ ARG A1071 7.688 -2.495 4.482 1.00 0.00 C ATOM 52 NH1 ARG A1071 7.767 -2.861 5.753 1.00 0.00 N ATOM 53 NH2 ARG A1071 7.620 -3.420 3.535 1.00 0.00 N ATOM 0 H ARG A1071 6.056 1.897 0.934 1.00 0.00 H new ATOM 0 HA ARG A1071 5.191 2.675 3.594 1.00 0.00 H new ATOM 0 HB2 ARG A1071 6.346 0.454 2.768 1.00 0.00 H new ATOM 0 HB3 ARG A1071 7.826 1.382 2.900 1.00 0.00 H new ATOM 0 HG2 ARG A1071 7.155 1.932 5.292 1.00 0.00 H new ATOM 0 HG3 ARG A1071 5.840 0.787 5.116 1.00 0.00 H new ATOM 0 HD2 ARG A1071 8.809 0.269 5.135 1.00 0.00 H new ATOM 0 HD3 ARG A1071 7.557 -0.478 6.107 1.00 0.00 H new ATOM 0 HE ARG A1071 7.641 -0.971 3.157 1.00 0.00 H new ATOM 0 HH11 ARG A1071 7.836 -2.153 6.484 1.00 0.00 H new ATOM 0 HH12 ARG A1071 7.759 -3.851 6.000 1.00 0.00 H new ATOM 0 HH21 ARG A1071 7.576 -3.143 2.554 1.00 0.00 H new ATOM 0 HH22 ARG A1071 7.612 -4.408 3.787 1.00 0.00 H new ATOM 67 N VAL A1072 6.783 4.498 4.182 1.00 0.00 N ATOM 68 CA VAL A1072 7.645 5.625 4.497 1.00 0.00 C ATOM 69 C VAL A1072 8.155 5.510 5.925 1.00 0.00 C ATOM 70 O VAL A1072 7.516 4.888 6.773 1.00 0.00 O ATOM 71 CB VAL A1072 6.929 6.986 4.314 1.00 0.00 C ATOM 72 CG1 VAL A1072 6.477 7.171 2.875 1.00 0.00 C ATOM 73 CG2 VAL A1072 5.748 7.119 5.265 1.00 0.00 C ATOM 0 H VAL A1072 6.052 4.320 4.871 1.00 0.00 H new ATOM 0 HA VAL A1072 8.480 5.593 3.797 1.00 0.00 H new ATOM 0 HB VAL A1072 7.646 7.772 4.553 1.00 0.00 H new ATOM 0 HG11 VAL A1072 5.977 8.134 2.772 1.00 0.00 H new ATOM 0 HG12 VAL A1072 7.344 7.139 2.215 1.00 0.00 H new ATOM 0 HG13 VAL A1072 5.786 6.372 2.605 1.00 0.00 H new ATOM 0 HG21 VAL A1072 5.265 8.084 5.113 1.00 0.00 H new ATOM 0 HG22 VAL A1072 5.032 6.321 5.070 1.00 0.00 H new ATOM 0 HG23 VAL A1072 6.100 7.047 6.294 1.00 0.00 H new ATOM 83 N LYS A1073 9.304 6.103 6.181 1.00 0.00 N ATOM 84 CA LYS A1073 9.906 6.054 7.501 1.00 0.00 C ATOM 85 C LYS A1073 10.068 7.472 8.014 1.00 0.00 C ATOM 86 O LYS A1073 10.481 8.363 7.269 1.00 0.00 O ATOM 87 CB LYS A1073 11.261 5.337 7.433 1.00 0.00 C ATOM 88 CG LYS A1073 11.627 4.567 8.696 1.00 0.00 C ATOM 89 CD LYS A1073 12.103 5.472 9.821 1.00 0.00 C ATOM 90 CE LYS A1073 13.451 6.104 9.507 1.00 0.00 C ATOM 91 NZ LYS A1073 14.072 6.702 10.717 1.00 0.00 N ATOM 0 H LYS A1073 9.842 6.627 5.491 1.00 0.00 H new ATOM 0 HA LYS A1073 9.267 5.496 8.185 1.00 0.00 H new ATOM 0 HB2 LYS A1073 11.251 4.646 6.590 1.00 0.00 H new ATOM 0 HB3 LYS A1073 12.039 6.074 7.232 1.00 0.00 H new ATOM 0 HG2 LYS A1073 10.760 4.000 9.034 1.00 0.00 H new ATOM 0 HG3 LYS A1073 12.409 3.844 8.462 1.00 0.00 H new ATOM 0 HD2 LYS A1073 11.366 6.256 9.993 1.00 0.00 H new ATOM 0 HD3 LYS A1073 12.178 4.896 10.744 1.00 0.00 H new ATOM 0 HE2 LYS A1073 14.118 5.350 9.090 1.00 0.00 H new ATOM 0 HE3 LYS A1073 13.324 6.873 8.745 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 15.092 6.830 10.557 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 13.633 7.625 10.912 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 13.926 6.070 11.530 1.00 0.00 H new ATOM 105 N THR A1074 9.726 7.688 9.268 1.00 0.00 N ATOM 106 CA THR A1074 9.751 9.018 9.835 1.00 0.00 C ATOM 107 C THR A1074 11.171 9.435 10.193 1.00 0.00 C ATOM 108 O THR A1074 11.893 8.720 10.904 1.00 0.00 O ATOM 109 CB THR A1074 8.861 9.105 11.083 1.00 0.00 C ATOM 110 OG1 THR A1074 9.378 8.247 12.092 1.00 0.00 O ATOM 111 CG2 THR A1074 7.432 8.696 10.764 1.00 0.00 C ATOM 0 H THR A1074 9.427 6.957 9.914 1.00 0.00 H new ATOM 0 HA THR A1074 9.363 9.699 9.077 1.00 0.00 H new ATOM 0 HB THR A1074 8.857 10.138 11.431 1.00 0.00 H new ATOM 0 HG1 THR A1074 9.418 8.730 12.944 1.00 0.00 H new ATOM 0 HG21 THR A1074 6.823 8.767 11.666 1.00 0.00 H new ATOM 0 HG22 THR A1074 7.026 9.358 9.999 1.00 0.00 H new ATOM 0 HG23 THR A1074 7.420 7.669 10.398 1.00 0.00 H new ATOM 119 N ILE A1075 11.566 10.589 9.682 1.00 0.00 N ATOM 120 CA ILE A1075 12.885 11.136 9.943 1.00 0.00 C ATOM 121 C ILE A1075 12.790 12.255 10.962 1.00 0.00 C ATOM 122 O ILE A1075 13.793 12.831 11.381 1.00 0.00 O ATOM 123 CB ILE A1075 13.528 11.681 8.658 1.00 0.00 C ATOM 124 CG1 ILE A1075 12.535 12.570 7.905 1.00 0.00 C ATOM 125 CG2 ILE A1075 14.002 10.537 7.776 1.00 0.00 C ATOM 126 CD1 ILE A1075 13.122 13.291 6.716 1.00 0.00 C ATOM 0 H ILE A1075 10.984 11.170 9.078 1.00 0.00 H new ATOM 0 HA ILE A1075 13.508 10.330 10.330 1.00 0.00 H new ATOM 0 HB ILE A1075 14.394 12.285 8.929 1.00 0.00 H new ATOM 0 HG12 ILE A1075 11.700 11.956 7.567 1.00 0.00 H new ATOM 0 HG13 ILE A1075 12.128 13.307 8.597 1.00 0.00 H new ATOM 0 HG21 ILE A1075 14.455 10.940 6.870 1.00 0.00 H new ATOM 0 HG22 ILE A1075 14.738 9.942 8.316 1.00 0.00 H new ATOM 0 HG23 ILE A1075 13.153 9.908 7.508 1.00 0.00 H new ATOM 0 HD11 ILE A1075 12.351 13.898 6.241 1.00 0.00 H new ATOM 0 HD12 ILE A1075 13.937 13.934 7.047 1.00 0.00 H new ATOM 0 HD13 ILE A1075 13.502 12.562 6.000 1.00 0.00 H new ATOM 138 N TYR A1076 11.562 12.559 11.343 1.00 0.00 N ATOM 139 CA TYR A1076 11.288 13.612 12.300 1.00 0.00 C ATOM 140 C TYR A1076 10.113 13.274 13.186 1.00 0.00 C ATOM 141 O TYR A1076 9.413 12.284 12.971 1.00 0.00 O ATOM 142 CB TYR A1076 11.001 14.922 11.581 1.00 0.00 C ATOM 143 CG TYR A1076 12.244 15.647 11.183 1.00 0.00 C ATOM 144 CD1 TYR A1076 12.944 16.393 12.121 1.00 0.00 C ATOM 145 CD2 TYR A1076 12.740 15.579 9.885 1.00 0.00 C ATOM 146 CE1 TYR A1076 14.092 17.045 11.782 1.00 0.00 C ATOM 147 CE2 TYR A1076 13.893 16.227 9.552 1.00 0.00 C ATOM 148 CZ TYR A1076 14.562 16.956 10.507 1.00 0.00 C ATOM 149 OH TYR A1076 15.713 17.590 10.191 1.00 0.00 O ATOM 0 H TYR A1076 10.729 12.083 10.997 1.00 0.00 H new ATOM 0 HA TYR A1076 12.176 13.714 12.924 1.00 0.00 H new ATOM 0 HB2 TYR A1076 10.403 14.720 10.692 1.00 0.00 H new ATOM 0 HB3 TYR A1076 10.403 15.563 12.229 1.00 0.00 H new ATOM 0 HD1 TYR A1076 12.574 16.458 13.134 1.00 0.00 H new ATOM 0 HD2 TYR A1076 12.209 15.010 9.137 1.00 0.00 H new ATOM 0 HE1 TYR A1076 14.625 17.628 12.519 1.00 0.00 H new ATOM 0 HE2 TYR A1076 14.278 16.168 8.545 1.00 0.00 H new ATOM 0 HH TYR A1076 15.801 17.641 9.216 1.00 0.00 H new ATOM 159 N ASP A1077 9.907 14.119 14.179 1.00 0.00 N ATOM 160 CA ASP A1077 8.779 13.996 15.067 1.00 0.00 C ATOM 161 C ASP A1077 7.816 15.138 14.796 1.00 0.00 C ATOM 162 O ASP A1077 8.116 16.305 15.043 1.00 0.00 O ATOM 163 CB ASP A1077 9.232 13.976 16.538 1.00 0.00 C ATOM 164 CG ASP A1077 9.972 15.231 16.970 1.00 0.00 C ATOM 165 OD1 ASP A1077 11.098 15.466 16.476 1.00 0.00 O ATOM 166 OD2 ASP A1077 9.436 15.979 17.817 1.00 0.00 O ATOM 0 H ASP A1077 10.520 14.907 14.388 1.00 0.00 H new ATOM 0 HA ASP A1077 8.271 13.050 14.882 1.00 0.00 H new ATOM 0 HB2 ASP A1077 8.358 13.843 17.176 1.00 0.00 H new ATOM 0 HB3 ASP A1077 9.877 13.112 16.698 1.00 0.00 H new ATOM 171 N CYS A1078 6.672 14.792 14.250 1.00 0.00 N ATOM 172 CA CYS A1078 5.675 15.776 13.882 1.00 0.00 C ATOM 173 C CYS A1078 4.402 15.508 14.637 1.00 0.00 C ATOM 174 O CYS A1078 4.033 14.356 14.862 1.00 0.00 O ATOM 175 CB CYS A1078 5.389 15.744 12.383 1.00 0.00 C ATOM 176 SG CYS A1078 4.188 16.981 11.843 1.00 0.00 S ATOM 0 H CYS A1078 6.406 13.828 14.049 1.00 0.00 H new ATOM 0 HA CYS A1078 6.063 16.763 14.136 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.322 15.897 11.841 1.00 0.00 H new ATOM 0 HB3 CYS A1078 5.022 14.753 12.114 1.00 0.00 H new ATOM 0 HG CYS A1078 4.729 17.746 10.942 1.00 0.00 H new ATOM 182 N GLN A1079 3.727 16.565 15.026 1.00 0.00 N ATOM 183 CA GLN A1079 2.507 16.416 15.792 1.00 0.00 C ATOM 184 C GLN A1079 1.334 17.060 15.087 1.00 0.00 C ATOM 185 O GLN A1079 1.464 18.113 14.455 1.00 0.00 O ATOM 186 CB GLN A1079 2.687 16.984 17.186 1.00 0.00 C ATOM 187 CG GLN A1079 3.808 16.303 17.936 1.00 0.00 C ATOM 188 CD GLN A1079 4.114 16.944 19.270 1.00 0.00 C ATOM 189 OE1 GLN A1079 4.945 17.849 19.362 1.00 0.00 O ATOM 190 NE2 GLN A1079 3.447 16.482 20.312 1.00 0.00 N ATOM 0 H GLN A1079 3.996 17.529 14.828 1.00 0.00 H new ATOM 0 HA GLN A1079 2.288 15.352 15.881 1.00 0.00 H new ATOM 0 HB2 GLN A1079 2.893 18.052 17.118 1.00 0.00 H new ATOM 0 HB3 GLN A1079 1.758 16.874 17.745 1.00 0.00 H new ATOM 0 HG2 GLN A1079 3.546 15.257 18.096 1.00 0.00 H new ATOM 0 HG3 GLN A1079 4.707 16.316 17.320 1.00 0.00 H new ATOM 0 HE21 GLN A1079 2.768 15.731 20.190 1.00 0.00 H new ATOM 0 HE22 GLN A1079 3.611 16.876 21.238 1.00 0.00 H new ATOM 199 N ALA A1080 0.197 16.403 15.190 1.00 0.00 N ATOM 200 CA ALA A1080 -0.986 16.802 14.465 1.00 0.00 C ATOM 201 C ALA A1080 -1.799 17.831 15.232 1.00 0.00 C ATOM 202 O ALA A1080 -1.820 17.838 16.463 1.00 0.00 O ATOM 203 CB ALA A1080 -1.837 15.583 14.172 1.00 0.00 C ATOM 0 H ALA A1080 0.070 15.579 15.778 1.00 0.00 H new ATOM 0 HA ALA A1080 -0.668 17.265 13.531 1.00 0.00 H new ATOM 0 HB1 ALA A1080 -2.730 15.886 13.625 1.00 0.00 H new ATOM 0 HB2 ALA A1080 -1.265 14.876 13.571 1.00 0.00 H new ATOM 0 HB3 ALA A1080 -2.129 15.109 15.109 1.00 0.00 H new ATOM 209 N ASP A1081 -2.475 18.694 14.485 1.00 0.00 N ATOM 210 CA ASP A1081 -3.311 19.729 15.072 1.00 0.00 C ATOM 211 C ASP A1081 -4.751 19.247 15.131 1.00 0.00 C ATOM 212 O ASP A1081 -5.490 19.557 16.064 1.00 0.00 O ATOM 213 CB ASP A1081 -3.241 21.019 14.250 1.00 0.00 C ATOM 214 CG ASP A1081 -1.826 21.398 13.865 1.00 0.00 C ATOM 215 OD1 ASP A1081 -1.091 21.942 14.714 1.00 0.00 O ATOM 216 OD2 ASP A1081 -1.437 21.140 12.704 1.00 0.00 O ATOM 0 H ASP A1081 -2.459 18.696 13.465 1.00 0.00 H new ATOM 0 HA ASP A1081 -2.946 19.937 16.078 1.00 0.00 H new ATOM 0 HB2 ASP A1081 -3.838 20.900 13.346 1.00 0.00 H new ATOM 0 HB3 ASP A1081 -3.687 21.833 14.822 1.00 0.00 H new ATOM 221 N ASN A1082 -5.147 18.496 14.114 1.00 0.00 N ATOM 222 CA ASN A1082 -6.479 17.915 14.060 1.00 0.00 C ATOM 223 C ASN A1082 -6.405 16.413 14.283 1.00 0.00 C ATOM 224 O ASN A1082 -5.395 15.775 13.984 1.00 0.00 O ATOM 225 CB ASN A1082 -7.141 18.210 12.713 1.00 0.00 C ATOM 226 CG ASN A1082 -7.547 19.664 12.558 1.00 0.00 C ATOM 227 OD1 ASN A1082 -7.902 20.307 13.660 1.00 0.00 O flip ATOM 228 ND2 ASN A1082 -7.549 20.203 11.452 1.00 0.00 N flip ATOM 0 H ASN A1082 -4.560 18.274 13.310 1.00 0.00 H new ATOM 0 HA ASN A1082 -7.082 18.363 14.850 1.00 0.00 H new ATOM 0 HB2 ASN A1082 -6.454 17.943 11.910 1.00 0.00 H new ATOM 0 HB3 ASN A1082 -8.022 17.578 12.601 1.00 0.00 H new ATOM 0 HD21 ASN A1082 -7.269 19.674 10.626 1.00 0.00 H new ATOM 0 HD22 ASN A1082 -7.831 21.179 11.361 1.00 0.00 H new ATOM 235 N ASP A1083 -7.496 15.862 14.803 1.00 0.00 N ATOM 236 CA ASP A1083 -7.569 14.452 15.187 1.00 0.00 C ATOM 237 C ASP A1083 -7.401 13.516 13.991 1.00 0.00 C ATOM 238 O ASP A1083 -6.973 12.375 14.145 1.00 0.00 O ATOM 239 CB ASP A1083 -8.907 14.171 15.879 1.00 0.00 C ATOM 240 CG ASP A1083 -9.061 12.721 16.293 1.00 0.00 C ATOM 241 OD1 ASP A1083 -8.319 12.272 17.195 1.00 0.00 O ATOM 242 OD2 ASP A1083 -9.924 12.022 15.717 1.00 0.00 O ATOM 0 H ASP A1083 -8.359 16.380 14.972 1.00 0.00 H new ATOM 0 HA ASP A1083 -6.744 14.258 15.873 1.00 0.00 H new ATOM 0 HB2 ASP A1083 -8.996 14.807 16.760 1.00 0.00 H new ATOM 0 HB3 ASP A1083 -9.722 14.441 15.207 1.00 0.00 H new ATOM 247 N ASP A1084 -7.733 14.006 12.804 1.00 0.00 N ATOM 248 CA ASP A1084 -7.637 13.200 11.586 1.00 0.00 C ATOM 249 C ASP A1084 -6.253 13.292 10.958 1.00 0.00 C ATOM 250 O ASP A1084 -5.972 12.642 9.951 1.00 0.00 O ATOM 251 CB ASP A1084 -8.698 13.625 10.570 1.00 0.00 C ATOM 252 CG ASP A1084 -10.069 13.088 10.916 1.00 0.00 C ATOM 253 OD1 ASP A1084 -10.402 11.969 10.467 1.00 0.00 O ATOM 254 OD2 ASP A1084 -10.818 13.775 11.633 1.00 0.00 O ATOM 0 H ASP A1084 -8.071 14.957 12.655 1.00 0.00 H new ATOM 0 HA ASP A1084 -7.812 12.163 11.872 1.00 0.00 H new ATOM 0 HB2 ASP A1084 -8.737 14.713 10.522 1.00 0.00 H new ATOM 0 HB3 ASP A1084 -8.411 13.273 9.579 1.00 0.00 H new ATOM 259 N GLU A1085 -5.390 14.097 11.551 1.00 0.00 N ATOM 260 CA GLU A1085 -4.025 14.234 11.071 1.00 0.00 C ATOM 261 C GLU A1085 -3.108 13.344 11.903 1.00 0.00 C ATOM 262 O GLU A1085 -3.458 12.954 13.018 1.00 0.00 O ATOM 263 CB GLU A1085 -3.596 15.702 11.133 1.00 0.00 C ATOM 264 CG GLU A1085 -4.537 16.626 10.377 1.00 0.00 C ATOM 265 CD GLU A1085 -4.175 18.090 10.515 1.00 0.00 C ATOM 266 OE1 GLU A1085 -3.869 18.529 11.642 1.00 0.00 O ATOM 267 OE2 GLU A1085 -4.239 18.821 9.502 1.00 0.00 O ATOM 0 H GLU A1085 -5.610 14.667 12.368 1.00 0.00 H new ATOM 0 HA GLU A1085 -3.960 13.915 10.031 1.00 0.00 H new ATOM 0 HB2 GLU A1085 -3.546 16.017 12.175 1.00 0.00 H new ATOM 0 HB3 GLU A1085 -2.591 15.799 10.722 1.00 0.00 H new ATOM 0 HG2 GLU A1085 -4.531 16.355 9.321 1.00 0.00 H new ATOM 0 HG3 GLU A1085 -5.554 16.474 10.739 1.00 0.00 H new ATOM 274 N LEU A1086 -1.947 13.013 11.366 1.00 0.00 N ATOM 275 CA LEU A1086 -1.088 12.018 11.995 1.00 0.00 C ATOM 276 C LEU A1086 -0.004 12.655 12.857 1.00 0.00 C ATOM 277 O LEU A1086 0.711 13.557 12.417 1.00 0.00 O ATOM 278 CB LEU A1086 -0.425 11.137 10.935 1.00 0.00 C ATOM 279 CG LEU A1086 0.132 9.814 11.461 1.00 0.00 C ATOM 280 CD1 LEU A1086 -0.981 8.796 11.607 1.00 0.00 C ATOM 281 CD2 LEU A1086 1.223 9.281 10.553 1.00 0.00 C ATOM 0 H LEU A1086 -1.577 13.413 10.504 1.00 0.00 H new ATOM 0 HA LEU A1086 -1.727 11.414 12.639 1.00 0.00 H new ATOM 0 HB2 LEU A1086 -1.153 10.923 10.152 1.00 0.00 H new ATOM 0 HB3 LEU A1086 0.386 11.698 10.471 1.00 0.00 H new ATOM 0 HG LEU A1086 0.571 9.997 12.442 1.00 0.00 H new ATOM 0 HD11 LEU A1086 -0.570 7.859 11.982 1.00 0.00 H new ATOM 0 HD12 LEU A1086 -1.728 9.171 12.307 1.00 0.00 H new ATOM 0 HD13 LEU A1086 -1.447 8.625 10.637 1.00 0.00 H new ATOM 0 HD21 LEU A1086 1.601 8.339 10.952 1.00 0.00 H new ATOM 0 HD22 LEU A1086 0.817 9.116 9.555 1.00 0.00 H new ATOM 0 HD23 LEU A1086 2.037 10.004 10.499 1.00 0.00 H new ATOM 293 N THR A1087 0.105 12.174 14.086 1.00 0.00 N ATOM 294 CA THR A1087 1.219 12.516 14.952 1.00 0.00 C ATOM 295 C THR A1087 2.220 11.361 14.944 1.00 0.00 C ATOM 296 O THR A1087 1.840 10.208 15.150 1.00 0.00 O ATOM 297 CB THR A1087 0.746 12.798 16.395 1.00 0.00 C ATOM 298 OG1 THR A1087 -0.149 13.920 16.408 1.00 0.00 O ATOM 299 CG2 THR A1087 1.925 13.078 17.317 1.00 0.00 C ATOM 0 H THR A1087 -0.573 11.539 14.508 1.00 0.00 H new ATOM 0 HA THR A1087 1.690 13.425 14.578 1.00 0.00 H new ATOM 0 HB THR A1087 0.228 11.910 16.757 1.00 0.00 H new ATOM 0 HG1 THR A1087 0.004 14.451 17.217 1.00 0.00 H new ATOM 0 HG21 THR A1087 1.560 13.273 18.325 1.00 0.00 H new ATOM 0 HG22 THR A1087 2.589 12.213 17.332 1.00 0.00 H new ATOM 0 HG23 THR A1087 2.472 13.949 16.955 1.00 0.00 H new ATOM 307 N PHE A1088 3.486 11.659 14.681 1.00 0.00 N ATOM 308 CA PHE A1088 4.494 10.607 14.564 1.00 0.00 C ATOM 309 C PHE A1088 5.842 11.084 15.071 1.00 0.00 C ATOM 310 O PHE A1088 6.104 12.282 15.134 1.00 0.00 O ATOM 311 CB PHE A1088 4.613 10.116 13.110 1.00 0.00 C ATOM 312 CG PHE A1088 4.934 11.190 12.098 1.00 0.00 C ATOM 313 CD1 PHE A1088 6.235 11.635 11.919 1.00 0.00 C ATOM 314 CD2 PHE A1088 3.934 11.741 11.313 1.00 0.00 C ATOM 315 CE1 PHE A1088 6.530 12.605 10.983 1.00 0.00 C ATOM 316 CE2 PHE A1088 4.224 12.714 10.376 1.00 0.00 C ATOM 317 CZ PHE A1088 5.522 13.146 10.212 1.00 0.00 C ATOM 0 H PHE A1088 3.839 12.607 14.546 1.00 0.00 H new ATOM 0 HA PHE A1088 4.171 9.771 15.184 1.00 0.00 H new ATOM 0 HB2 PHE A1088 5.388 9.351 13.063 1.00 0.00 H new ATOM 0 HB3 PHE A1088 3.675 9.639 12.826 1.00 0.00 H new ATOM 0 HD1 PHE A1088 7.028 11.217 12.521 1.00 0.00 H new ATOM 0 HD2 PHE A1088 2.915 11.406 11.435 1.00 0.00 H new ATOM 0 HE1 PHE A1088 7.549 12.940 10.854 1.00 0.00 H new ATOM 0 HE2 PHE A1088 3.434 13.136 9.773 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.750 13.907 9.481 1.00 0.00 H new ATOM 327 N ILE A1089 6.699 10.142 15.427 1.00 0.00 N ATOM 328 CA ILE A1089 8.017 10.471 15.943 1.00 0.00 C ATOM 329 C ILE A1089 9.101 9.770 15.137 1.00 0.00 C ATOM 330 O ILE A1089 8.836 8.757 14.500 1.00 0.00 O ATOM 331 CB ILE A1089 8.145 10.120 17.446 1.00 0.00 C ATOM 332 CG1 ILE A1089 7.404 8.817 17.793 1.00 0.00 C ATOM 333 CG2 ILE A1089 7.611 11.268 18.289 1.00 0.00 C ATOM 334 CD1 ILE A1089 8.016 7.566 17.202 1.00 0.00 C ATOM 0 H ILE A1089 6.505 9.142 15.368 1.00 0.00 H new ATOM 0 HA ILE A1089 8.149 11.548 15.842 1.00 0.00 H new ATOM 0 HB ILE A1089 9.201 9.965 17.666 1.00 0.00 H new ATOM 0 HG12 ILE A1089 7.371 8.712 18.877 1.00 0.00 H new ATOM 0 HG13 ILE A1089 6.373 8.898 17.449 1.00 0.00 H new ATOM 0 HG21 ILE A1089 7.703 11.017 19.346 1.00 0.00 H new ATOM 0 HG22 ILE A1089 8.185 12.171 18.079 1.00 0.00 H new ATOM 0 HG23 ILE A1089 6.562 11.440 18.047 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.428 6.698 17.499 1.00 0.00 H new ATOM 0 HD12 ILE A1089 8.024 7.644 16.115 1.00 0.00 H new ATOM 0 HD13 ILE A1089 9.037 7.454 17.566 1.00 0.00 H new ATOM 346 N GLU A1090 10.303 10.332 15.153 1.00 0.00 N ATOM 347 CA GLU A1090 11.432 9.790 14.397 1.00 0.00 C ATOM 348 C GLU A1090 11.678 8.330 14.772 1.00 0.00 C ATOM 349 O GLU A1090 11.785 7.998 15.954 1.00 0.00 O ATOM 350 CB GLU A1090 12.683 10.631 14.676 1.00 0.00 C ATOM 351 CG GLU A1090 13.762 10.530 13.606 1.00 0.00 C ATOM 352 CD GLU A1090 14.477 9.195 13.579 1.00 0.00 C ATOM 353 OE1 GLU A1090 14.912 8.727 14.648 1.00 0.00 O ATOM 354 OE2 GLU A1090 14.634 8.620 12.481 1.00 0.00 O ATOM 0 H GLU A1090 10.525 11.172 15.687 1.00 0.00 H new ATOM 0 HA GLU A1090 11.201 9.831 13.333 1.00 0.00 H new ATOM 0 HB2 GLU A1090 12.388 11.675 14.779 1.00 0.00 H new ATOM 0 HB3 GLU A1090 13.107 10.323 15.632 1.00 0.00 H new ATOM 0 HG2 GLU A1090 13.310 10.709 12.630 1.00 0.00 H new ATOM 0 HG3 GLU A1090 14.495 11.320 13.767 1.00 0.00 H new ATOM 361 N GLY A1091 11.756 7.466 13.764 1.00 0.00 N ATOM 362 CA GLY A1091 11.965 6.052 14.018 1.00 0.00 C ATOM 363 C GLY A1091 10.696 5.254 13.812 1.00 0.00 C ATOM 364 O GLY A1091 10.696 4.024 13.887 1.00 0.00 O ATOM 0 H GLY A1091 11.678 7.719 12.779 1.00 0.00 H new ATOM 0 HA2 GLY A1091 12.744 5.674 13.356 1.00 0.00 H new ATOM 0 HA3 GLY A1091 12.320 5.914 15.039 1.00 0.00 H new ATOM 368 N GLU A1092 9.613 5.968 13.560 1.00 0.00 N ATOM 369 CA GLU A1092 8.324 5.359 13.284 1.00 0.00 C ATOM 370 C GLU A1092 8.230 5.006 11.801 1.00 0.00 C ATOM 371 O GLU A1092 8.970 5.544 10.973 1.00 0.00 O ATOM 372 CB GLU A1092 7.206 6.331 13.665 1.00 0.00 C ATOM 373 CG GLU A1092 5.901 5.669 14.062 1.00 0.00 C ATOM 374 CD GLU A1092 6.071 4.673 15.193 1.00 0.00 C ATOM 375 OE1 GLU A1092 6.431 3.512 14.915 1.00 0.00 O ATOM 376 OE2 GLU A1092 5.846 5.044 16.362 1.00 0.00 O ATOM 0 H GLU A1092 9.603 6.988 13.541 1.00 0.00 H new ATOM 0 HA GLU A1092 8.219 4.448 13.872 1.00 0.00 H new ATOM 0 HB2 GLU A1092 7.549 6.952 14.492 1.00 0.00 H new ATOM 0 HB3 GLU A1092 7.019 6.997 12.823 1.00 0.00 H new ATOM 0 HG2 GLU A1092 5.186 6.435 14.362 1.00 0.00 H new ATOM 0 HG3 GLU A1092 5.478 5.160 13.196 1.00 0.00 H new ATOM 383 N VAL A1093 7.320 4.112 11.471 1.00 0.00 N ATOM 384 CA VAL A1093 7.148 3.662 10.096 1.00 0.00 C ATOM 385 C VAL A1093 5.683 3.762 9.705 1.00 0.00 C ATOM 386 O VAL A1093 4.808 3.314 10.443 1.00 0.00 O ATOM 387 CB VAL A1093 7.632 2.206 9.900 1.00 0.00 C ATOM 388 CG1 VAL A1093 7.466 1.767 8.453 1.00 0.00 C ATOM 389 CG2 VAL A1093 9.079 2.059 10.338 1.00 0.00 C ATOM 0 H VAL A1093 6.682 3.678 12.138 1.00 0.00 H new ATOM 0 HA VAL A1093 7.754 4.306 9.459 1.00 0.00 H new ATOM 0 HB VAL A1093 7.015 1.559 10.524 1.00 0.00 H new ATOM 0 HG11 VAL A1093 7.814 0.740 8.342 1.00 0.00 H new ATOM 0 HG12 VAL A1093 6.414 1.826 8.173 1.00 0.00 H new ATOM 0 HG13 VAL A1093 8.051 2.420 7.805 1.00 0.00 H new ATOM 0 HG21 VAL A1093 9.400 1.028 10.192 1.00 0.00 H new ATOM 0 HG22 VAL A1093 9.708 2.722 9.744 1.00 0.00 H new ATOM 0 HG23 VAL A1093 9.168 2.321 11.392 1.00 0.00 H new ATOM 399 N ILE A1094 5.415 4.355 8.552 1.00 0.00 N ATOM 400 CA ILE A1094 4.045 4.581 8.125 1.00 0.00 C ATOM 401 C ILE A1094 3.766 3.886 6.800 1.00 0.00 C ATOM 402 O ILE A1094 4.581 3.931 5.875 1.00 0.00 O ATOM 403 CB ILE A1094 3.737 6.085 7.965 1.00 0.00 C ATOM 404 CG1 ILE A1094 4.305 6.881 9.141 1.00 0.00 C ATOM 405 CG2 ILE A1094 2.231 6.301 7.860 1.00 0.00 C ATOM 406 CD1 ILE A1094 4.223 8.379 8.952 1.00 0.00 C ATOM 0 H ILE A1094 6.125 4.687 7.899 1.00 0.00 H new ATOM 0 HA ILE A1094 3.404 4.167 8.903 1.00 0.00 H new ATOM 0 HB ILE A1094 4.211 6.440 7.050 1.00 0.00 H new ATOM 0 HG12 ILE A1094 3.767 6.607 10.048 1.00 0.00 H new ATOM 0 HG13 ILE A1094 5.347 6.598 9.291 1.00 0.00 H new ATOM 0 HG21 ILE A1094 2.023 7.365 7.747 1.00 0.00 H new ATOM 0 HG22 ILE A1094 1.846 5.762 6.994 1.00 0.00 H new ATOM 0 HG23 ILE A1094 1.746 5.930 8.763 1.00 0.00 H new ATOM 0 HD11 ILE A1094 4.644 8.879 9.824 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.785 8.665 8.063 1.00 0.00 H new ATOM 0 HD13 ILE A1094 3.181 8.674 8.832 1.00 0.00 H new ATOM 418 N ILE A1095 2.622 3.234 6.723 1.00 0.00 N ATOM 419 CA ILE A1095 2.150 2.655 5.480 1.00 0.00 C ATOM 420 C ILE A1095 1.245 3.656 4.769 1.00 0.00 C ATOM 421 O ILE A1095 0.142 3.939 5.241 1.00 0.00 O ATOM 422 CB ILE A1095 1.363 1.349 5.735 1.00 0.00 C ATOM 423 CG1 ILE A1095 2.290 0.258 6.267 1.00 0.00 C ATOM 424 CG2 ILE A1095 0.655 0.875 4.471 1.00 0.00 C ATOM 425 CD1 ILE A1095 3.376 -0.149 5.293 1.00 0.00 C ATOM 0 H ILE A1095 1.996 3.091 7.516 1.00 0.00 H new ATOM 0 HA ILE A1095 3.016 2.420 4.861 1.00 0.00 H new ATOM 0 HB ILE A1095 0.603 1.559 6.488 1.00 0.00 H new ATOM 0 HG12 ILE A1095 2.754 0.607 7.190 1.00 0.00 H new ATOM 0 HG13 ILE A1095 1.695 -0.619 6.521 1.00 0.00 H new ATOM 0 HG21 ILE A1095 0.110 -0.045 4.682 1.00 0.00 H new ATOM 0 HG22 ILE A1095 -0.044 1.642 4.136 1.00 0.00 H new ATOM 0 HG23 ILE A1095 1.392 0.689 3.689 1.00 0.00 H new ATOM 0 HD11 ILE A1095 3.994 -0.927 5.741 1.00 0.00 H new ATOM 0 HD12 ILE A1095 2.921 -0.529 4.378 1.00 0.00 H new ATOM 0 HD13 ILE A1095 3.996 0.716 5.057 1.00 0.00 H new ATOM 437 N VAL A1096 1.720 4.210 3.663 1.00 0.00 N ATOM 438 CA VAL A1096 0.940 5.163 2.884 1.00 0.00 C ATOM 439 C VAL A1096 -0.163 4.444 2.119 1.00 0.00 C ATOM 440 O VAL A1096 0.105 3.642 1.215 1.00 0.00 O ATOM 441 CB VAL A1096 1.827 5.958 1.897 1.00 0.00 C ATOM 442 CG1 VAL A1096 0.994 6.875 1.014 1.00 0.00 C ATOM 443 CG2 VAL A1096 2.868 6.761 2.654 1.00 0.00 C ATOM 0 H VAL A1096 2.646 4.015 3.283 1.00 0.00 H new ATOM 0 HA VAL A1096 0.496 5.871 3.584 1.00 0.00 H new ATOM 0 HB VAL A1096 2.332 5.240 1.251 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.649 7.418 0.333 1.00 0.00 H new ATOM 0 HG12 VAL A1096 0.285 6.280 0.438 1.00 0.00 H new ATOM 0 HG13 VAL A1096 0.450 7.585 1.637 1.00 0.00 H new ATOM 0 HG21 VAL A1096 3.485 7.315 1.947 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.370 7.460 3.327 1.00 0.00 H new ATOM 0 HG23 VAL A1096 3.498 6.086 3.233 1.00 0.00 H new ATOM 453 N THR A1097 -1.396 4.724 2.506 1.00 0.00 N ATOM 454 CA THR A1097 -2.557 4.110 1.895 1.00 0.00 C ATOM 455 C THR A1097 -3.202 5.055 0.891 1.00 0.00 C ATOM 456 O THR A1097 -4.066 4.654 0.107 1.00 0.00 O ATOM 457 CB THR A1097 -3.590 3.705 2.964 1.00 0.00 C ATOM 458 OG1 THR A1097 -3.830 4.799 3.867 1.00 0.00 O ATOM 459 CG2 THR A1097 -3.108 2.495 3.744 1.00 0.00 C ATOM 0 H THR A1097 -1.618 5.383 3.252 1.00 0.00 H new ATOM 0 HA THR A1097 -2.222 3.214 1.372 1.00 0.00 H new ATOM 0 HB THR A1097 -4.520 3.449 2.457 1.00 0.00 H new ATOM 0 HG1 THR A1097 -4.489 4.529 4.540 1.00 0.00 H new ATOM 0 HG21 THR A1097 -3.852 2.225 4.494 1.00 0.00 H new ATOM 0 HG22 THR A1097 -2.960 1.658 3.062 1.00 0.00 H new ATOM 0 HG23 THR A1097 -2.165 2.732 4.237 1.00 0.00 H new ATOM 467 N GLY A1098 -2.782 6.312 0.923 1.00 0.00 N ATOM 468 CA GLY A1098 -3.312 7.295 0.005 1.00 0.00 C ATOM 469 C GLY A1098 -2.572 8.613 0.087 1.00 0.00 C ATOM 470 O GLY A1098 -1.659 8.773 0.890 1.00 0.00 O ATOM 0 H GLY A1098 -2.080 6.668 1.572 1.00 0.00 H new ATOM 0 HA2 GLY A1098 -3.251 6.909 -1.013 1.00 0.00 H new ATOM 0 HA3 GLY A1098 -4.368 7.459 0.221 1.00 0.00 H new ATOM 474 N GLU A1099 -2.973 9.560 -0.742 1.00 0.00 N ATOM 475 CA GLU A1099 -2.358 10.873 -0.778 1.00 0.00 C ATOM 476 C GLU A1099 -3.455 11.919 -0.794 1.00 0.00 C ATOM 477 O GLU A1099 -4.514 11.700 -1.383 1.00 0.00 O ATOM 478 CB GLU A1099 -1.476 11.052 -2.023 1.00 0.00 C ATOM 479 CG GLU A1099 -0.290 10.097 -2.114 1.00 0.00 C ATOM 480 CD GLU A1099 -0.664 8.720 -2.636 1.00 0.00 C ATOM 481 OE1 GLU A1099 -1.264 8.633 -3.728 1.00 0.00 O ATOM 482 OE2 GLU A1099 -0.358 7.717 -1.964 1.00 0.00 O ATOM 0 H GLU A1099 -3.735 9.439 -1.409 1.00 0.00 H new ATOM 0 HA GLU A1099 -1.724 10.982 0.102 1.00 0.00 H new ATOM 0 HB2 GLU A1099 -2.096 10.924 -2.911 1.00 0.00 H new ATOM 0 HB3 GLU A1099 -1.102 12.076 -2.041 1.00 0.00 H new ATOM 0 HG2 GLU A1099 0.468 10.531 -2.766 1.00 0.00 H new ATOM 0 HG3 GLU A1099 0.160 9.993 -1.127 1.00 0.00 H new ATOM 489 N GLU A1100 -3.220 13.043 -0.145 1.00 0.00 N ATOM 490 CA GLU A1100 -4.205 14.115 -0.139 1.00 0.00 C ATOM 491 C GLU A1100 -3.583 15.372 -0.714 1.00 0.00 C ATOM 492 O GLU A1100 -4.154 16.033 -1.579 1.00 0.00 O ATOM 493 CB GLU A1100 -4.724 14.372 1.273 1.00 0.00 C ATOM 494 CG GLU A1100 -5.854 15.381 1.313 1.00 0.00 C ATOM 495 CD GLU A1100 -6.315 15.680 2.718 1.00 0.00 C ATOM 496 OE1 GLU A1100 -5.599 16.405 3.432 1.00 0.00 O ATOM 497 OE2 GLU A1100 -7.402 15.206 3.113 1.00 0.00 O ATOM 0 H GLU A1100 -2.368 13.240 0.380 1.00 0.00 H new ATOM 0 HA GLU A1100 -5.054 13.818 -0.755 1.00 0.00 H new ATOM 0 HB2 GLU A1100 -5.068 13.432 1.705 1.00 0.00 H new ATOM 0 HB3 GLU A1100 -3.904 14.728 1.897 1.00 0.00 H new ATOM 0 HG2 GLU A1100 -5.528 16.306 0.837 1.00 0.00 H new ATOM 0 HG3 GLU A1100 -6.695 15.003 0.731 1.00 0.00 H new ATOM 504 N ASP A1101 -2.399 15.683 -0.230 1.00 0.00 N ATOM 505 CA ASP A1101 -1.619 16.779 -0.759 1.00 0.00 C ATOM 506 C ASP A1101 -0.344 16.210 -1.360 1.00 0.00 C ATOM 507 O ASP A1101 -0.132 14.996 -1.324 1.00 0.00 O ATOM 508 CB ASP A1101 -1.304 17.790 0.354 1.00 0.00 C ATOM 509 CG ASP A1101 -0.583 19.026 -0.141 1.00 0.00 C ATOM 510 OD1 ASP A1101 -1.248 19.925 -0.680 1.00 0.00 O ATOM 511 OD2 ASP A1101 0.656 19.090 0.000 1.00 0.00 O ATOM 0 H ASP A1101 -1.952 15.184 0.539 1.00 0.00 H new ATOM 0 HA ASP A1101 -2.179 17.306 -1.531 1.00 0.00 H new ATOM 0 HB2 ASP A1101 -2.235 18.090 0.836 1.00 0.00 H new ATOM 0 HB3 ASP A1101 -0.694 17.303 1.115 1.00 0.00 H new ATOM 516 N GLN A1102 0.498 17.056 -1.907 1.00 0.00 N ATOM 517 CA GLN A1102 1.780 16.613 -2.418 1.00 0.00 C ATOM 518 C GLN A1102 2.700 16.306 -1.249 1.00 0.00 C ATOM 519 O GLN A1102 3.490 15.362 -1.280 1.00 0.00 O ATOM 520 CB GLN A1102 2.400 17.694 -3.301 1.00 0.00 C ATOM 521 CG GLN A1102 2.696 18.990 -2.563 1.00 0.00 C ATOM 522 CD GLN A1102 3.248 20.066 -3.470 1.00 0.00 C ATOM 523 OE1 GLN A1102 4.460 20.179 -3.656 1.00 0.00 O ATOM 524 NE2 GLN A1102 2.365 20.875 -4.028 1.00 0.00 N ATOM 0 H GLN A1102 0.321 18.055 -2.011 1.00 0.00 H new ATOM 0 HA GLN A1102 1.639 15.715 -3.020 1.00 0.00 H new ATOM 0 HB2 GLN A1102 3.325 17.312 -3.732 1.00 0.00 H new ATOM 0 HB3 GLN A1102 1.725 17.905 -4.131 1.00 0.00 H new ATOM 0 HG2 GLN A1102 1.782 19.352 -2.092 1.00 0.00 H new ATOM 0 HG3 GLN A1102 3.410 18.793 -1.764 1.00 0.00 H new ATOM 0 HE21 GLN A1102 1.369 20.746 -3.847 1.00 0.00 H new ATOM 0 HE22 GLN A1102 2.679 21.628 -4.640 1.00 0.00 H new ATOM 533 N GLU A1103 2.547 17.103 -0.207 1.00 0.00 N ATOM 534 CA GLU A1103 3.403 17.031 0.956 1.00 0.00 C ATOM 535 C GLU A1103 2.610 16.560 2.174 1.00 0.00 C ATOM 536 O GLU A1103 3.079 16.631 3.307 1.00 0.00 O ATOM 537 CB GLU A1103 4.021 18.408 1.193 1.00 0.00 C ATOM 538 CG GLU A1103 5.237 18.388 2.086 1.00 0.00 C ATOM 539 CD GLU A1103 6.037 19.673 2.002 1.00 0.00 C ATOM 540 OE1 GLU A1103 6.293 20.140 0.870 1.00 0.00 O ATOM 541 OE2 GLU A1103 6.400 20.225 3.057 1.00 0.00 O ATOM 0 H GLU A1103 1.823 17.819 -0.146 1.00 0.00 H new ATOM 0 HA GLU A1103 4.200 16.306 0.789 1.00 0.00 H new ATOM 0 HB2 GLU A1103 4.296 18.842 0.232 1.00 0.00 H new ATOM 0 HB3 GLU A1103 3.269 19.062 1.635 1.00 0.00 H new ATOM 0 HG2 GLU A1103 4.924 18.225 3.117 1.00 0.00 H new ATOM 0 HG3 GLU A1103 5.874 17.548 1.809 1.00 0.00 H new ATOM 548 N TRP A1104 1.409 16.066 1.924 1.00 0.00 N ATOM 549 CA TRP A1104 0.560 15.510 2.978 1.00 0.00 C ATOM 550 C TRP A1104 -0.111 14.229 2.498 1.00 0.00 C ATOM 551 O TRP A1104 -1.023 14.257 1.661 1.00 0.00 O ATOM 552 CB TRP A1104 -0.499 16.520 3.434 1.00 0.00 C ATOM 553 CG TRP A1104 0.043 17.611 4.307 1.00 0.00 C ATOM 554 CD1 TRP A1104 0.635 18.773 3.903 1.00 0.00 C ATOM 555 CD2 TRP A1104 0.034 17.644 5.741 1.00 0.00 C ATOM 556 NE1 TRP A1104 1.003 19.518 4.995 1.00 0.00 N ATOM 557 CE2 TRP A1104 0.642 18.848 6.133 1.00 0.00 C ATOM 558 CE3 TRP A1104 -0.427 16.769 6.732 1.00 0.00 C ATOM 559 CZ2 TRP A1104 0.797 19.202 7.466 1.00 0.00 C ATOM 560 CZ3 TRP A1104 -0.269 17.125 8.059 1.00 0.00 C ATOM 561 CH2 TRP A1104 0.340 18.334 8.415 1.00 0.00 C ATOM 0 H TRP A1104 0.992 16.036 0.993 1.00 0.00 H new ATOM 0 HA TRP A1104 1.198 15.281 3.832 1.00 0.00 H new ATOM 0 HB2 TRP A1104 -0.963 16.967 2.555 1.00 0.00 H new ATOM 0 HB3 TRP A1104 -1.284 15.991 3.975 1.00 0.00 H new ATOM 0 HD1 TRP A1104 0.791 19.063 2.875 1.00 0.00 H new ATOM 0 HE1 TRP A1104 1.470 20.424 4.964 1.00 0.00 H new ATOM 0 HE3 TRP A1104 -0.897 15.834 6.465 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 1.265 20.135 7.744 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 -0.621 16.459 8.833 1.00 0.00 H new ATOM 0 HH2 TRP A1104 0.450 18.585 9.460 1.00 0.00 H new ATOM 572 N TRP A1105 0.349 13.102 3.019 1.00 0.00 N ATOM 573 CA TRP A1105 -0.143 11.807 2.574 1.00 0.00 C ATOM 574 C TRP A1105 -0.958 11.139 3.665 1.00 0.00 C ATOM 575 O TRP A1105 -0.971 11.583 4.809 1.00 0.00 O ATOM 576 CB TRP A1105 1.012 10.901 2.145 1.00 0.00 C ATOM 577 CG TRP A1105 1.761 11.426 0.961 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.478 12.555 0.256 1.00 0.00 C ATOM 579 CD2 TRP A1105 2.907 10.846 0.343 1.00 0.00 C ATOM 580 NE1 TRP A1105 2.381 12.727 -0.754 1.00 0.00 N ATOM 581 CE2 TRP A1105 3.273 11.687 -0.727 1.00 0.00 C ATOM 582 CE3 TRP A1105 3.664 9.703 0.594 1.00 0.00 C ATOM 583 CZ2 TRP A1105 4.366 11.415 -1.543 1.00 0.00 C ATOM 584 CZ3 TRP A1105 4.743 9.433 -0.219 1.00 0.00 C ATOM 585 CH2 TRP A1105 5.088 10.287 -1.273 1.00 0.00 C ATOM 0 H TRP A1105 1.060 13.057 3.749 1.00 0.00 H new ATOM 0 HA TRP A1105 -0.788 11.973 1.711 1.00 0.00 H new ATOM 0 HB2 TRP A1105 1.702 10.782 2.980 1.00 0.00 H new ATOM 0 HB3 TRP A1105 0.621 9.911 1.910 1.00 0.00 H new ATOM 0 HD1 TRP A1105 0.655 13.222 0.466 1.00 0.00 H new ATOM 0 HE1 TRP A1105 2.390 13.501 -1.418 1.00 0.00 H new ATOM 0 HE3 TRP A1105 3.410 9.042 1.410 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 4.634 12.070 -2.359 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 5.333 8.546 -0.040 1.00 0.00 H new ATOM 0 HH2 TRP A1105 5.944 10.049 -1.887 1.00 0.00 H new ATOM 596 N ILE A1106 -1.633 10.067 3.298 1.00 0.00 N ATOM 597 CA ILE A1106 -2.541 9.382 4.195 1.00 0.00 C ATOM 598 C ILE A1106 -2.066 7.965 4.434 1.00 0.00 C ATOM 599 O ILE A1106 -1.666 7.272 3.502 1.00 0.00 O ATOM 600 CB ILE A1106 -3.954 9.323 3.595 1.00 0.00 C ATOM 601 CG1 ILE A1106 -4.397 10.717 3.160 1.00 0.00 C ATOM 602 CG2 ILE A1106 -4.940 8.737 4.598 1.00 0.00 C ATOM 603 CD1 ILE A1106 -5.582 10.699 2.231 1.00 0.00 C ATOM 0 H ILE A1106 -1.567 9.647 2.371 1.00 0.00 H new ATOM 0 HA ILE A1106 -2.564 9.935 5.134 1.00 0.00 H new ATOM 0 HB ILE A1106 -3.934 8.673 2.720 1.00 0.00 H new ATOM 0 HG12 ILE A1106 -4.645 11.305 4.044 1.00 0.00 H new ATOM 0 HG13 ILE A1106 -3.564 11.219 2.667 1.00 0.00 H new ATOM 0 HG21 ILE A1106 -5.935 8.704 4.154 1.00 0.00 H new ATOM 0 HG22 ILE A1106 -4.629 7.728 4.867 1.00 0.00 H new ATOM 0 HG23 ILE A1106 -4.963 9.360 5.492 1.00 0.00 H new ATOM 0 HD11 ILE A1106 -5.847 11.721 1.959 1.00 0.00 H new ATOM 0 HD12 ILE A1106 -5.330 10.138 1.331 1.00 0.00 H new ATOM 0 HD13 ILE A1106 -6.428 10.225 2.729 1.00 0.00 H new ATOM 615 N GLY A1107 -2.107 7.538 5.674 1.00 0.00 N ATOM 616 CA GLY A1107 -1.724 6.183 5.978 1.00 0.00 C ATOM 617 C GLY A1107 -1.853 5.855 7.440 1.00 0.00 C ATOM 618 O GLY A1107 -2.544 6.550 8.183 1.00 0.00 O ATOM 0 H GLY A1107 -2.397 8.099 6.475 1.00 0.00 H new ATOM 0 HA2 GLY A1107 -2.343 5.497 5.400 1.00 0.00 H new ATOM 0 HA3 GLY A1107 -0.693 6.023 5.664 1.00 0.00 H new ATOM 622 N HIS A1108 -1.176 4.795 7.849 1.00 0.00 N ATOM 623 CA HIS A1108 -1.236 4.325 9.228 1.00 0.00 C ATOM 624 C HIS A1108 0.089 3.695 9.625 1.00 0.00 C ATOM 625 O HIS A1108 0.805 3.160 8.779 1.00 0.00 O ATOM 626 CB HIS A1108 -2.384 3.321 9.423 1.00 0.00 C ATOM 627 CG HIS A1108 -2.323 2.100 8.546 1.00 0.00 C ATOM 628 ND1 HIS A1108 -3.069 1.969 7.399 1.00 0.00 N ATOM 629 CD2 HIS A1108 -1.635 0.939 8.676 1.00 0.00 C ATOM 630 CE1 HIS A1108 -2.847 0.785 6.861 1.00 0.00 C ATOM 631 NE2 HIS A1108 -1.980 0.136 7.616 1.00 0.00 N ATOM 0 H HIS A1108 -0.574 4.238 7.243 1.00 0.00 H new ATOM 0 HA HIS A1108 -1.428 5.184 9.871 1.00 0.00 H new ATOM 0 HB2 HIS A1108 -2.392 3.000 10.465 1.00 0.00 H new ATOM 0 HB3 HIS A1108 -3.328 3.833 9.240 1.00 0.00 H new ATOM 0 HD2 HIS A1108 -0.943 0.691 9.467 1.00 0.00 H new ATOM 0 HE1 HIS A1108 -3.299 0.410 5.955 1.00 0.00 H new ATOM 0 HE2 HIS A1108 -1.626 -0.804 7.442 1.00 0.00 H new ATOM 640 N ILE A1109 0.405 3.763 10.911 1.00 0.00 N ATOM 641 CA ILE A1109 1.670 3.246 11.423 1.00 0.00 C ATOM 642 C ILE A1109 1.774 1.738 11.209 1.00 0.00 C ATOM 643 O ILE A1109 0.827 0.992 11.468 1.00 0.00 O ATOM 644 CB ILE A1109 1.849 3.576 12.923 1.00 0.00 C ATOM 645 CG1 ILE A1109 1.803 5.091 13.145 1.00 0.00 C ATOM 646 CG2 ILE A1109 3.152 2.995 13.462 1.00 0.00 C ATOM 647 CD1 ILE A1109 2.775 5.874 12.289 1.00 0.00 C ATOM 0 H ILE A1109 -0.199 4.173 11.623 1.00 0.00 H new ATOM 0 HA ILE A1109 2.467 3.736 10.864 1.00 0.00 H new ATOM 0 HB ILE A1109 1.026 3.118 13.471 1.00 0.00 H new ATOM 0 HG12 ILE A1109 0.792 5.446 12.944 1.00 0.00 H new ATOM 0 HG13 ILE A1109 2.011 5.299 14.194 1.00 0.00 H new ATOM 0 HG21 ILE A1109 3.251 3.243 14.519 1.00 0.00 H new ATOM 0 HG22 ILE A1109 3.144 1.912 13.342 1.00 0.00 H new ATOM 0 HG23 ILE A1109 3.993 3.415 12.910 1.00 0.00 H new ATOM 0 HD11 ILE A1109 2.678 6.937 12.508 1.00 0.00 H new ATOM 0 HD12 ILE A1109 3.793 5.550 12.506 1.00 0.00 H new ATOM 0 HD13 ILE A1109 2.555 5.699 11.236 1.00 0.00 H new ATOM 659 N GLU A1110 2.933 1.309 10.724 1.00 0.00 N ATOM 660 CA GLU A1110 3.188 -0.095 10.435 1.00 0.00 C ATOM 661 C GLU A1110 3.191 -0.911 11.725 1.00 0.00 C ATOM 662 O GLU A1110 4.158 -0.881 12.490 1.00 0.00 O ATOM 663 CB GLU A1110 4.535 -0.247 9.724 1.00 0.00 C ATOM 664 CG GLU A1110 4.495 -1.157 8.504 1.00 0.00 C ATOM 665 CD GLU A1110 4.048 -2.569 8.819 1.00 0.00 C ATOM 666 OE1 GLU A1110 2.826 -2.801 8.951 1.00 0.00 O ATOM 667 OE2 GLU A1110 4.918 -3.455 8.929 1.00 0.00 O ATOM 0 H GLU A1110 3.721 1.924 10.521 1.00 0.00 H new ATOM 0 HA GLU A1110 2.395 -0.466 9.785 1.00 0.00 H new ATOM 0 HB2 GLU A1110 4.885 0.739 9.417 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.265 -0.639 10.432 1.00 0.00 H new ATOM 0 HG2 GLU A1110 3.821 -0.728 7.762 1.00 0.00 H new ATOM 0 HG3 GLU A1110 5.487 -1.190 8.053 1.00 0.00 H new ATOM 674 N GLY A1111 2.105 -1.631 11.963 1.00 0.00 N ATOM 675 CA GLY A1111 1.994 -2.432 13.162 1.00 0.00 C ATOM 676 C GLY A1111 1.042 -1.828 14.171 1.00 0.00 C ATOM 677 O GLY A1111 0.752 -2.435 15.200 1.00 0.00 O ATOM 0 H GLY A1111 1.296 -1.674 11.344 1.00 0.00 H new ATOM 0 HA2 GLY A1111 1.652 -3.433 12.897 1.00 0.00 H new ATOM 0 HA3 GLY A1111 2.979 -2.541 13.616 1.00 0.00 H new ATOM 681 N GLN A1112 0.554 -0.629 13.881 1.00 0.00 N ATOM 682 CA GLN A1112 -0.367 0.055 14.778 1.00 0.00 C ATOM 683 C GLN A1112 -1.455 0.763 13.967 1.00 0.00 C ATOM 684 O GLN A1112 -1.401 1.976 13.754 1.00 0.00 O ATOM 685 CB GLN A1112 0.400 1.053 15.654 1.00 0.00 C ATOM 686 CG GLN A1112 -0.421 1.655 16.786 1.00 0.00 C ATOM 687 CD GLN A1112 -0.952 0.617 17.758 1.00 0.00 C ATOM 688 OE1 GLN A1112 -0.363 -0.447 17.944 1.00 0.00 O ATOM 689 NE2 GLN A1112 -2.060 0.934 18.408 1.00 0.00 N ATOM 0 H GLN A1112 0.781 -0.111 13.032 1.00 0.00 H new ATOM 0 HA GLN A1112 -0.846 -0.676 15.430 1.00 0.00 H new ATOM 0 HB2 GLN A1112 1.270 0.552 16.079 1.00 0.00 H new ATOM 0 HB3 GLN A1112 0.773 1.860 15.023 1.00 0.00 H new ATOM 0 HG2 GLN A1112 0.194 2.372 17.330 1.00 0.00 H new ATOM 0 HG3 GLN A1112 -1.259 2.210 16.363 1.00 0.00 H new ATOM 0 HE21 GLN A1112 -2.520 1.826 18.227 1.00 0.00 H new ATOM 0 HE22 GLN A1112 -2.454 0.286 19.090 1.00 0.00 H new ATOM 698 N PRO A1113 -2.465 0.000 13.510 1.00 0.00 N ATOM 699 CA PRO A1113 -3.538 0.507 12.643 1.00 0.00 C ATOM 700 C PRO A1113 -4.499 1.455 13.362 1.00 0.00 C ATOM 701 O PRO A1113 -5.489 1.894 12.786 1.00 0.00 O ATOM 702 CB PRO A1113 -4.283 -0.760 12.196 1.00 0.00 C ATOM 703 CG PRO A1113 -3.405 -1.900 12.593 1.00 0.00 C ATOM 704 CD PRO A1113 -2.639 -1.430 13.791 1.00 0.00 C ATOM 0 HA PRO A1113 -3.129 1.095 11.821 1.00 0.00 H new ATOM 0 HB2 PRO A1113 -5.259 -0.831 12.676 1.00 0.00 H new ATOM 0 HB3 PRO A1113 -4.456 -0.754 11.120 1.00 0.00 H new ATOM 0 HG2 PRO A1113 -3.996 -2.784 12.830 1.00 0.00 H new ATOM 0 HG3 PRO A1113 -2.731 -2.175 11.782 1.00 0.00 H new ATOM 0 HD2 PRO A1113 -3.189 -1.598 14.717 1.00 0.00 H new ATOM 0 HD3 PRO A1113 -1.683 -1.944 13.890 1.00 0.00 H new ATOM 712 N GLU A1114 -4.211 1.751 14.620 1.00 0.00 N ATOM 713 CA GLU A1114 -4.986 2.730 15.375 1.00 0.00 C ATOM 714 C GLU A1114 -4.476 4.131 15.075 1.00 0.00 C ATOM 715 O GLU A1114 -5.219 5.110 15.145 1.00 0.00 O ATOM 716 CB GLU A1114 -4.886 2.441 16.876 1.00 0.00 C ATOM 717 CG GLU A1114 -5.720 3.372 17.740 1.00 0.00 C ATOM 718 CD GLU A1114 -5.313 3.326 19.197 1.00 0.00 C ATOM 719 OE1 GLU A1114 -4.398 4.084 19.578 1.00 0.00 O ATOM 720 OE2 GLU A1114 -5.887 2.523 19.962 1.00 0.00 O ATOM 0 H GLU A1114 -3.445 1.327 15.143 1.00 0.00 H new ATOM 0 HA GLU A1114 -6.032 2.661 15.077 1.00 0.00 H new ATOM 0 HB2 GLU A1114 -5.199 1.413 17.060 1.00 0.00 H new ATOM 0 HB3 GLU A1114 -3.842 2.516 17.182 1.00 0.00 H new ATOM 0 HG2 GLU A1114 -5.621 4.393 17.370 1.00 0.00 H new ATOM 0 HG3 GLU A1114 -6.772 3.101 17.651 1.00 0.00 H new ATOM 727 N ARG A1115 -3.207 4.216 14.717 1.00 0.00 N ATOM 728 CA ARG A1115 -2.607 5.484 14.363 1.00 0.00 C ATOM 729 C ARG A1115 -2.680 5.674 12.859 1.00 0.00 C ATOM 730 O ARG A1115 -1.780 5.261 12.125 1.00 0.00 O ATOM 731 CB ARG A1115 -1.149 5.543 14.822 1.00 0.00 C ATOM 732 CG ARG A1115 -0.967 5.329 16.313 1.00 0.00 C ATOM 733 CD ARG A1115 0.495 5.448 16.709 1.00 0.00 C ATOM 734 NE ARG A1115 0.708 5.160 18.124 1.00 0.00 N ATOM 735 CZ ARG A1115 1.733 5.633 18.830 1.00 0.00 C ATOM 736 NH1 ARG A1115 2.621 6.435 18.257 1.00 0.00 N ATOM 737 NH2 ARG A1115 1.870 5.303 20.109 1.00 0.00 N ATOM 0 H ARG A1115 -2.573 3.418 14.665 1.00 0.00 H new ATOM 0 HA ARG A1115 -3.156 6.282 14.863 1.00 0.00 H new ATOM 0 HB2 ARG A1115 -0.578 4.787 14.284 1.00 0.00 H new ATOM 0 HB3 ARG A1115 -0.731 6.512 14.550 1.00 0.00 H new ATOM 0 HG2 ARG A1115 -1.557 6.062 16.863 1.00 0.00 H new ATOM 0 HG3 ARG A1115 -1.343 4.344 16.591 1.00 0.00 H new ATOM 0 HD2 ARG A1115 1.090 4.761 16.107 1.00 0.00 H new ATOM 0 HD3 ARG A1115 0.849 6.455 16.488 1.00 0.00 H new ATOM 0 HE ARG A1115 0.032 4.562 18.600 1.00 0.00 H new ATOM 0 HH11 ARG A1115 2.519 6.690 17.275 1.00 0.00 H new ATOM 0 HH12 ARG A1115 3.406 6.797 18.799 1.00 0.00 H new ATOM 0 HH21 ARG A1115 1.189 4.686 20.552 1.00 0.00 H new ATOM 0 HH22 ARG A1115 2.656 5.666 20.648 1.00 0.00 H new ATOM 751 N LYS A1116 -3.767 6.272 12.403 1.00 0.00 N ATOM 752 CA LYS A1116 -3.934 6.577 10.993 1.00 0.00 C ATOM 753 C LYS A1116 -4.375 8.019 10.823 1.00 0.00 C ATOM 754 O LYS A1116 -4.928 8.622 11.744 1.00 0.00 O ATOM 755 CB LYS A1116 -4.945 5.650 10.296 1.00 0.00 C ATOM 756 CG LYS A1116 -5.527 4.528 11.150 1.00 0.00 C ATOM 757 CD LYS A1116 -6.574 5.037 12.128 1.00 0.00 C ATOM 758 CE LYS A1116 -7.694 4.030 12.306 1.00 0.00 C ATOM 759 NZ LYS A1116 -8.839 4.601 13.058 1.00 0.00 N ATOM 0 H LYS A1116 -4.550 6.557 12.992 1.00 0.00 H new ATOM 0 HA LYS A1116 -2.965 6.417 10.521 1.00 0.00 H new ATOM 0 HB2 LYS A1116 -5.768 6.259 9.923 1.00 0.00 H new ATOM 0 HB3 LYS A1116 -4.460 5.204 9.428 1.00 0.00 H new ATOM 0 HG2 LYS A1116 -5.973 3.774 10.502 1.00 0.00 H new ATOM 0 HG3 LYS A1116 -4.724 4.039 11.701 1.00 0.00 H new ATOM 0 HD2 LYS A1116 -6.107 5.240 13.092 1.00 0.00 H new ATOM 0 HD3 LYS A1116 -6.984 5.981 11.768 1.00 0.00 H new ATOM 0 HE2 LYS A1116 -8.035 3.690 11.328 1.00 0.00 H new ATOM 0 HE3 LYS A1116 -7.314 3.155 12.833 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 -9.583 3.881 13.158 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 -8.520 4.902 14.001 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 -9.218 5.421 12.543 1.00 0.00 H new ATOM 773 N GLY A1117 -4.128 8.558 9.646 1.00 0.00 N ATOM 774 CA GLY A1117 -4.483 9.929 9.365 1.00 0.00 C ATOM 775 C GLY A1117 -3.614 10.525 8.283 1.00 0.00 C ATOM 776 O GLY A1117 -2.955 9.795 7.538 1.00 0.00 O ATOM 0 H GLY A1117 -3.683 8.066 8.871 1.00 0.00 H new ATOM 0 HA2 GLY A1117 -5.528 9.978 9.059 1.00 0.00 H new ATOM 0 HA3 GLY A1117 -4.389 10.522 10.275 1.00 0.00 H new ATOM 780 N VAL A1118 -3.609 11.844 8.197 1.00 0.00 N ATOM 781 CA VAL A1118 -2.820 12.537 7.193 1.00 0.00 C ATOM 782 C VAL A1118 -1.536 13.090 7.808 1.00 0.00 C ATOM 783 O VAL A1118 -1.575 13.857 8.773 1.00 0.00 O ATOM 784 CB VAL A1118 -3.615 13.686 6.542 1.00 0.00 C ATOM 785 CG1 VAL A1118 -2.904 14.178 5.296 1.00 0.00 C ATOM 786 CG2 VAL A1118 -5.034 13.245 6.210 1.00 0.00 C ATOM 0 H VAL A1118 -4.144 12.458 8.812 1.00 0.00 H new ATOM 0 HA VAL A1118 -2.569 11.811 6.420 1.00 0.00 H new ATOM 0 HB VAL A1118 -3.676 14.508 7.256 1.00 0.00 H new ATOM 0 HG11 VAL A1118 -3.477 14.989 4.847 1.00 0.00 H new ATOM 0 HG12 VAL A1118 -1.911 14.539 5.563 1.00 0.00 H new ATOM 0 HG13 VAL A1118 -2.813 13.360 4.582 1.00 0.00 H new ATOM 0 HG21 VAL A1118 -5.575 14.073 5.752 1.00 0.00 H new ATOM 0 HG22 VAL A1118 -5.001 12.405 5.516 1.00 0.00 H new ATOM 0 HG23 VAL A1118 -5.544 12.941 7.124 1.00 0.00 H new ATOM 796 N PHE A1119 -0.404 12.686 7.252 1.00 0.00 N ATOM 797 CA PHE A1119 0.904 13.075 7.773 1.00 0.00 C ATOM 798 C PHE A1119 1.707 13.887 6.756 1.00 0.00 C ATOM 799 O PHE A1119 1.605 13.666 5.546 1.00 0.00 O ATOM 800 CB PHE A1119 1.697 11.833 8.191 1.00 0.00 C ATOM 801 CG PHE A1119 1.735 10.745 7.154 1.00 0.00 C ATOM 802 CD1 PHE A1119 0.724 9.803 7.096 1.00 0.00 C ATOM 803 CD2 PHE A1119 2.783 10.656 6.248 1.00 0.00 C ATOM 804 CE1 PHE A1119 0.753 8.795 6.160 1.00 0.00 C ATOM 805 CE2 PHE A1119 2.812 9.647 5.305 1.00 0.00 C ATOM 806 CZ PHE A1119 1.795 8.714 5.263 1.00 0.00 C ATOM 0 H PHE A1119 -0.362 12.082 6.431 1.00 0.00 H new ATOM 0 HA PHE A1119 0.733 13.709 8.643 1.00 0.00 H new ATOM 0 HB2 PHE A1119 2.719 12.131 8.426 1.00 0.00 H new ATOM 0 HB3 PHE A1119 1.264 11.431 9.107 1.00 0.00 H new ATOM 0 HD1 PHE A1119 -0.098 9.859 7.794 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.582 11.382 6.281 1.00 0.00 H new ATOM 0 HE1 PHE A1119 -0.043 8.066 6.129 1.00 0.00 H new ATOM 0 HE2 PHE A1119 3.629 9.588 4.601 1.00 0.00 H new ATOM 0 HZ PHE A1119 1.817 7.923 4.528 1.00 0.00 H new ATOM 816 N PRO A1120 2.505 14.853 7.243 1.00 0.00 N ATOM 817 CA PRO A1120 3.356 15.685 6.394 1.00 0.00 C ATOM 818 C PRO A1120 4.611 14.960 5.916 1.00 0.00 C ATOM 819 O PRO A1120 5.418 14.472 6.717 1.00 0.00 O ATOM 820 CB PRO A1120 3.747 16.846 7.305 1.00 0.00 C ATOM 821 CG PRO A1120 3.694 16.282 8.679 1.00 0.00 C ATOM 822 CD PRO A1120 2.623 15.221 8.667 1.00 0.00 C ATOM 0 HA PRO A1120 2.834 15.983 5.485 1.00 0.00 H new ATOM 0 HB2 PRO A1120 4.744 17.217 7.068 1.00 0.00 H new ATOM 0 HB3 PRO A1120 3.060 17.685 7.195 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.657 15.857 8.961 1.00 0.00 H new ATOM 0 HG3 PRO A1120 3.462 17.058 9.408 1.00 0.00 H new ATOM 0 HD2 PRO A1120 2.903 14.364 9.279 1.00 0.00 H new ATOM 0 HD3 PRO A1120 1.680 15.600 9.061 1.00 0.00 H new ATOM 830 N VAL A1121 4.782 14.934 4.605 1.00 0.00 N ATOM 831 CA VAL A1121 5.938 14.312 3.978 1.00 0.00 C ATOM 832 C VAL A1121 7.223 15.057 4.365 1.00 0.00 C ATOM 833 O VAL A1121 8.329 14.534 4.235 1.00 0.00 O ATOM 834 CB VAL A1121 5.770 14.283 2.439 1.00 0.00 C ATOM 835 CG1 VAL A1121 6.960 13.626 1.757 1.00 0.00 C ATOM 836 CG2 VAL A1121 4.481 13.565 2.060 1.00 0.00 C ATOM 0 H VAL A1121 4.123 15.344 3.944 1.00 0.00 H new ATOM 0 HA VAL A1121 6.014 13.285 4.335 1.00 0.00 H new ATOM 0 HB VAL A1121 5.718 15.315 2.093 1.00 0.00 H new ATOM 0 HG11 VAL A1121 6.806 13.624 0.678 1.00 0.00 H new ATOM 0 HG12 VAL A1121 7.867 14.182 1.993 1.00 0.00 H new ATOM 0 HG13 VAL A1121 7.061 12.600 2.111 1.00 0.00 H new ATOM 0 HG21 VAL A1121 4.377 13.553 0.975 1.00 0.00 H new ATOM 0 HG22 VAL A1121 4.511 12.541 2.433 1.00 0.00 H new ATOM 0 HG23 VAL A1121 3.631 14.087 2.500 1.00 0.00 H new ATOM 846 N SER A1122 7.054 16.267 4.882 1.00 0.00 N ATOM 847 CA SER A1122 8.167 17.114 5.291 1.00 0.00 C ATOM 848 C SER A1122 9.026 16.454 6.375 1.00 0.00 C ATOM 849 O SER A1122 10.243 16.631 6.408 1.00 0.00 O ATOM 850 CB SER A1122 7.618 18.440 5.810 1.00 0.00 C ATOM 851 OG SER A1122 6.388 18.755 5.179 1.00 0.00 O ATOM 0 H SER A1122 6.138 16.690 5.030 1.00 0.00 H new ATOM 0 HA SER A1122 8.805 17.276 4.422 1.00 0.00 H new ATOM 0 HB2 SER A1122 7.475 18.382 6.889 1.00 0.00 H new ATOM 0 HB3 SER A1122 8.341 19.235 5.627 1.00 0.00 H new ATOM 0 HG SER A1122 6.512 19.526 4.587 1.00 0.00 H new ATOM 857 N PHE A1123 8.389 15.685 7.251 1.00 0.00 N ATOM 858 CA PHE A1123 9.070 15.119 8.411 1.00 0.00 C ATOM 859 C PHE A1123 9.283 13.617 8.218 1.00 0.00 C ATOM 860 O PHE A1123 9.728 12.915 9.130 1.00 0.00 O ATOM 861 CB PHE A1123 8.244 15.342 9.691 1.00 0.00 C ATOM 862 CG PHE A1123 7.895 16.779 10.022 1.00 0.00 C ATOM 863 CD1 PHE A1123 7.431 17.657 9.055 1.00 0.00 C ATOM 864 CD2 PHE A1123 8.016 17.240 11.325 1.00 0.00 C ATOM 865 CE1 PHE A1123 7.099 18.957 9.370 1.00 0.00 C ATOM 866 CE2 PHE A1123 7.681 18.540 11.652 1.00 0.00 C ATOM 867 CZ PHE A1123 7.222 19.403 10.667 1.00 0.00 C ATOM 0 H PHE A1123 7.402 15.439 7.180 1.00 0.00 H new ATOM 0 HA PHE A1123 10.033 15.620 8.511 1.00 0.00 H new ATOM 0 HB2 PHE A1123 7.317 14.776 9.603 1.00 0.00 H new ATOM 0 HB3 PHE A1123 8.795 14.921 10.532 1.00 0.00 H new ATOM 0 HD1 PHE A1123 7.328 17.316 8.035 1.00 0.00 H new ATOM 0 HD2 PHE A1123 8.377 16.574 12.094 1.00 0.00 H new ATOM 0 HE1 PHE A1123 6.743 19.625 8.600 1.00 0.00 H new ATOM 0 HE2 PHE A1123 7.776 18.884 12.671 1.00 0.00 H new ATOM 0 HZ PHE A1123 6.962 20.421 10.917 1.00 0.00 H new ATOM 877 N VAL A1124 8.945 13.121 7.036 1.00 0.00 N ATOM 878 CA VAL A1124 9.110 11.702 6.735 1.00 0.00 C ATOM 879 C VAL A1124 9.896 11.508 5.446 1.00 0.00 C ATOM 880 O VAL A1124 10.121 12.458 4.700 1.00 0.00 O ATOM 881 CB VAL A1124 7.757 10.953 6.634 1.00 0.00 C ATOM 882 CG1 VAL A1124 7.100 10.852 7.997 1.00 0.00 C ATOM 883 CG2 VAL A1124 6.814 11.632 5.658 1.00 0.00 C ATOM 0 H VAL A1124 8.557 13.675 6.272 1.00 0.00 H new ATOM 0 HA VAL A1124 9.666 11.275 7.570 1.00 0.00 H new ATOM 0 HB VAL A1124 7.968 9.950 6.262 1.00 0.00 H new ATOM 0 HG11 VAL A1124 6.151 10.323 7.905 1.00 0.00 H new ATOM 0 HG12 VAL A1124 7.755 10.307 8.677 1.00 0.00 H new ATOM 0 HG13 VAL A1124 6.921 11.853 8.390 1.00 0.00 H new ATOM 0 HG21 VAL A1124 5.876 11.079 5.614 1.00 0.00 H new ATOM 0 HG22 VAL A1124 6.619 12.652 5.990 1.00 0.00 H new ATOM 0 HG23 VAL A1124 7.269 11.654 4.668 1.00 0.00 H new ATOM 893 N HIS A1125 10.333 10.285 5.196 1.00 0.00 N ATOM 894 CA HIS A1125 11.125 9.991 4.014 1.00 0.00 C ATOM 895 C HIS A1125 10.564 8.763 3.307 1.00 0.00 C ATOM 896 O HIS A1125 10.178 7.788 3.955 1.00 0.00 O ATOM 897 CB HIS A1125 12.586 9.778 4.414 1.00 0.00 C ATOM 898 CG HIS A1125 13.569 10.359 3.447 1.00 0.00 C ATOM 899 ND1 HIS A1125 13.608 11.699 3.123 1.00 0.00 N ATOM 900 CD2 HIS A1125 14.564 9.776 2.740 1.00 0.00 C ATOM 901 CE1 HIS A1125 14.580 11.911 2.259 1.00 0.00 C ATOM 902 NE2 HIS A1125 15.178 10.762 2.010 1.00 0.00 N ATOM 0 H HIS A1125 10.153 9.480 5.796 1.00 0.00 H new ATOM 0 HA HIS A1125 11.078 10.832 3.322 1.00 0.00 H new ATOM 0 HB2 HIS A1125 12.752 10.221 5.396 1.00 0.00 H new ATOM 0 HB3 HIS A1125 12.774 8.709 4.510 1.00 0.00 H new ATOM 0 HD2 HIS A1125 14.826 8.728 2.749 1.00 0.00 H new ATOM 0 HE1 HIS A1125 14.843 12.865 1.827 1.00 0.00 H new ATOM 0 HE2 HIS A1125 15.968 10.628 1.378 1.00 0.00 H new ATOM 911 N ILE A1126 10.506 8.823 1.986 1.00 0.00 N ATOM 912 CA ILE A1126 9.862 7.783 1.193 1.00 0.00 C ATOM 913 C ILE A1126 10.801 6.605 0.926 1.00 0.00 C ATOM 914 O ILE A1126 11.935 6.785 0.479 1.00 0.00 O ATOM 915 CB ILE A1126 9.327 8.344 -0.154 1.00 0.00 C ATOM 916 CG1 ILE A1126 8.027 9.131 0.055 1.00 0.00 C ATOM 917 CG2 ILE A1126 9.100 7.228 -1.170 1.00 0.00 C ATOM 918 CD1 ILE A1126 8.184 10.429 0.818 1.00 0.00 C ATOM 0 H ILE A1126 10.900 9.586 1.435 1.00 0.00 H new ATOM 0 HA ILE A1126 9.019 7.422 1.782 1.00 0.00 H new ATOM 0 HB ILE A1126 10.087 9.019 -0.547 1.00 0.00 H new ATOM 0 HG12 ILE A1126 7.591 9.350 -0.920 1.00 0.00 H new ATOM 0 HG13 ILE A1126 7.317 8.497 0.587 1.00 0.00 H new ATOM 0 HG21 ILE A1126 8.726 7.654 -2.101 1.00 0.00 H new ATOM 0 HG22 ILE A1126 10.041 6.712 -1.360 1.00 0.00 H new ATOM 0 HG23 ILE A1126 8.371 6.520 -0.776 1.00 0.00 H new ATOM 0 HD11 ILE A1126 7.212 10.914 0.916 1.00 0.00 H new ATOM 0 HD12 ILE A1126 8.587 10.222 1.809 1.00 0.00 H new ATOM 0 HD13 ILE A1126 8.865 11.088 0.279 1.00 0.00 H new ATOM 930 N LEU A1127 10.317 5.405 1.227 1.00 0.00 N ATOM 931 CA LEU A1127 11.027 4.172 0.903 1.00 0.00 C ATOM 932 C LEU A1127 10.287 3.454 -0.222 1.00 0.00 C ATOM 933 O LEU A1127 10.898 3.021 -1.200 1.00 0.00 O ATOM 934 CB LEU A1127 11.117 3.251 2.128 1.00 0.00 C ATOM 935 CG LEU A1127 12.151 3.636 3.198 1.00 0.00 C ATOM 936 CD1 LEU A1127 11.811 4.965 3.850 1.00 0.00 C ATOM 937 CD2 LEU A1127 12.241 2.546 4.252 1.00 0.00 C ATOM 0 H LEU A1127 9.425 5.259 1.700 1.00 0.00 H new ATOM 0 HA LEU A1127 12.040 4.422 0.589 1.00 0.00 H new ATOM 0 HB2 LEU A1127 10.135 3.213 2.600 1.00 0.00 H new ATOM 0 HB3 LEU A1127 11.343 2.243 1.781 1.00 0.00 H new ATOM 0 HG LEU A1127 13.117 3.743 2.705 1.00 0.00 H new ATOM 0 HD11 LEU A1127 12.564 5.205 4.601 1.00 0.00 H new ATOM 0 HD12 LEU A1127 11.792 5.748 3.092 1.00 0.00 H new ATOM 0 HD13 LEU A1127 10.833 4.897 4.326 1.00 0.00 H new ATOM 0 HD21 LEU A1127 12.976 2.828 5.006 1.00 0.00 H new ATOM 0 HD22 LEU A1127 11.268 2.416 4.725 1.00 0.00 H new ATOM 0 HD23 LEU A1127 12.544 1.610 3.783 1.00 0.00 H new ATOM 949 N SER A1128 8.971 3.346 -0.067 1.00 0.00 N ATOM 950 CA SER A1128 8.097 2.765 -1.081 1.00 0.00 C ATOM 951 C SER A1128 8.503 1.328 -1.407 1.00 0.00 C ATOM 952 O SER A1128 8.806 0.997 -2.559 1.00 0.00 O ATOM 953 CB SER A1128 8.096 3.632 -2.344 1.00 0.00 C ATOM 954 OG SER A1128 6.967 3.357 -3.156 1.00 0.00 O ATOM 0 H SER A1128 8.479 3.660 0.769 1.00 0.00 H new ATOM 0 HA SER A1128 7.084 2.737 -0.679 1.00 0.00 H new ATOM 0 HB2 SER A1128 8.098 4.686 -2.065 1.00 0.00 H new ATOM 0 HB3 SER A1128 9.008 3.451 -2.913 1.00 0.00 H new ATOM 0 HG SER A1128 6.992 3.926 -3.954 1.00 0.00 H new ATOM 960 N ASP A1129 8.526 0.491 -0.377 1.00 0.00 N ATOM 961 CA ASP A1129 8.786 -0.931 -0.536 1.00 0.00 C ATOM 962 C ASP A1129 8.517 -1.648 0.776 1.00 0.00 C ATOM 963 O ASP A1129 7.449 -2.281 0.906 1.00 0.00 O ATOM 964 CB ASP A1129 10.226 -1.187 -0.985 1.00 0.00 C ATOM 965 CG ASP A1129 10.487 -2.653 -1.263 1.00 0.00 C ATOM 966 OD1 ASP A1129 9.837 -3.219 -2.167 1.00 0.00 O ATOM 967 OD2 ASP A1129 11.351 -3.249 -0.585 1.00 0.00 O ATOM 968 OXT ASP A1129 9.351 -1.533 1.693 1.00 0.00 O ATOM 0 H ASP A1129 8.365 0.779 0.588 1.00 0.00 H new ATOM 0 HA ASP A1129 8.120 -1.316 -1.309 1.00 0.00 H new ATOM 0 HB2 ASP A1129 10.433 -0.606 -1.884 1.00 0.00 H new ATOM 0 HB3 ASP A1129 10.913 -0.837 -0.214 1.00 0.00 H new ATOM 974 N CYS B1578 17.337 8.671 12.518 1.00 0.00 N ATOM 975 CA CYS B1578 18.052 9.430 11.472 1.00 0.00 C ATOM 976 C CYS B1578 17.333 10.738 11.165 1.00 0.00 C ATOM 977 O CYS B1578 16.277 10.744 10.533 1.00 0.00 O ATOM 978 CB CYS B1578 18.181 8.587 10.204 1.00 0.00 C ATOM 979 SG CYS B1578 19.160 7.084 10.427 1.00 0.00 S ATOM 0 HA CYS B1578 19.050 9.667 11.842 1.00 0.00 H new ATOM 0 HB2 CYS B1578 17.185 8.313 9.858 1.00 0.00 H new ATOM 0 HB3 CYS B1578 18.635 9.193 9.420 1.00 0.00 H new ATOM 0 HG CYS B1578 19.215 6.431 9.304 1.00 0.00 H new ATOM 987 N ILE B1579 17.913 11.839 11.619 1.00 0.00 N ATOM 988 CA ILE B1579 17.356 13.161 11.380 1.00 0.00 C ATOM 989 C ILE B1579 17.918 13.752 10.092 1.00 0.00 C ATOM 990 O ILE B1579 19.134 13.885 9.930 1.00 0.00 O ATOM 991 CB ILE B1579 17.645 14.116 12.558 1.00 0.00 C ATOM 992 CG1 ILE B1579 16.894 13.657 13.809 1.00 0.00 C ATOM 993 CG2 ILE B1579 17.272 15.549 12.206 1.00 0.00 C ATOM 994 CD1 ILE B1579 17.024 14.614 14.973 1.00 0.00 C ATOM 0 H ILE B1579 18.778 11.841 12.160 1.00 0.00 H new ATOM 0 HA ILE B1579 16.276 13.049 11.285 1.00 0.00 H new ATOM 0 HB ILE B1579 18.715 14.090 12.763 1.00 0.00 H new ATOM 0 HG12 ILE B1579 15.839 13.534 13.565 1.00 0.00 H new ATOM 0 HG13 ILE B1579 17.268 12.678 14.110 1.00 0.00 H new ATOM 0 HG21 ILE B1579 17.486 16.199 13.054 1.00 0.00 H new ATOM 0 HG22 ILE B1579 17.853 15.875 11.343 1.00 0.00 H new ATOM 0 HG23 ILE B1579 16.209 15.601 11.969 1.00 0.00 H new ATOM 0 HD11 ILE B1579 16.467 14.227 15.826 1.00 0.00 H new ATOM 0 HD12 ILE B1579 18.075 14.718 15.243 1.00 0.00 H new ATOM 0 HD13 ILE B1579 16.624 15.588 14.690 1.00 0.00 H new ATOM 1006 N ILE B1580 17.026 14.098 9.178 1.00 0.00 N ATOM 1007 CA ILE B1580 17.413 14.675 7.901 1.00 0.00 C ATOM 1008 C ILE B1580 17.369 16.199 7.981 1.00 0.00 C ATOM 1009 O ILE B1580 16.300 16.805 7.936 1.00 0.00 O ATOM 1010 CB ILE B1580 16.500 14.128 6.763 1.00 0.00 C ATOM 1011 CG1 ILE B1580 17.115 12.870 6.143 1.00 0.00 C ATOM 1012 CG2 ILE B1580 16.196 15.166 5.691 1.00 0.00 C ATOM 1013 CD1 ILE B1580 17.298 11.740 7.130 1.00 0.00 C ATOM 0 H ILE B1580 16.019 13.988 9.299 1.00 0.00 H new ATOM 0 HA ILE B1580 18.437 14.384 7.668 1.00 0.00 H new ATOM 0 HB ILE B1580 15.545 13.872 7.222 1.00 0.00 H new ATOM 0 HG12 ILE B1580 16.479 12.529 5.326 1.00 0.00 H new ATOM 0 HG13 ILE B1580 18.082 13.124 5.710 1.00 0.00 H new ATOM 0 HG21 ILE B1580 15.556 14.724 4.927 1.00 0.00 H new ATOM 0 HG22 ILE B1580 15.686 16.017 6.143 1.00 0.00 H new ATOM 0 HG23 ILE B1580 17.127 15.501 5.235 1.00 0.00 H new ATOM 0 HD11 ILE B1580 17.738 10.881 6.623 1.00 0.00 H new ATOM 0 HD12 ILE B1580 17.958 12.063 7.935 1.00 0.00 H new ATOM 0 HD13 ILE B1580 16.330 11.459 7.545 1.00 0.00 H new ATOM 1025 N SER B1581 18.552 16.798 8.111 1.00 0.00 N ATOM 1026 CA SER B1581 18.700 18.241 8.284 1.00 0.00 C ATOM 1027 C SER B1581 18.319 18.654 9.712 1.00 0.00 C ATOM 1028 O SER B1581 18.688 17.978 10.672 1.00 0.00 O ATOM 1029 CB SER B1581 17.864 19.002 7.245 1.00 0.00 C ATOM 1030 OG SER B1581 18.230 18.632 5.921 1.00 0.00 O ATOM 0 H SER B1581 19.438 16.293 8.099 1.00 0.00 H new ATOM 0 HA SER B1581 19.746 18.502 8.125 1.00 0.00 H new ATOM 0 HB2 SER B1581 16.806 18.796 7.404 1.00 0.00 H new ATOM 0 HB3 SER B1581 18.003 20.075 7.377 1.00 0.00 H new ATOM 0 HG SER B1581 17.682 19.130 5.279 1.00 0.00 H new ATOM 1036 N ALA B1582 17.623 19.777 9.848 1.00 0.00 N ATOM 1037 CA ALA B1582 17.040 20.178 11.123 1.00 0.00 C ATOM 1038 C ALA B1582 15.530 20.283 10.971 1.00 0.00 C ATOM 1039 O ALA B1582 15.040 20.303 9.839 1.00 0.00 O ATOM 1040 CB ALA B1582 17.637 21.489 11.613 1.00 0.00 C ATOM 0 H ALA B1582 17.448 20.430 9.085 1.00 0.00 H new ATOM 0 HA ALA B1582 17.271 19.423 11.874 1.00 0.00 H new ATOM 0 HB1 ALA B1582 17.183 21.762 12.565 1.00 0.00 H new ATOM 0 HB2 ALA B1582 18.713 21.372 11.744 1.00 0.00 H new ATOM 0 HB3 ALA B1582 17.444 22.273 10.881 1.00 0.00 H new ATOM 1046 N MET B1583 14.810 20.323 12.096 1.00 0.00 N ATOM 1047 CA MET B1583 13.345 20.249 12.097 1.00 0.00 C ATOM 1048 C MET B1583 12.724 21.072 10.977 1.00 0.00 C ATOM 1049 O MET B1583 12.913 22.291 10.901 1.00 0.00 O ATOM 1050 CB MET B1583 12.767 20.688 13.445 1.00 0.00 C ATOM 1051 CG MET B1583 11.269 20.965 13.396 1.00 0.00 C ATOM 1052 SD MET B1583 10.474 20.846 15.008 1.00 0.00 S ATOM 1053 CE MET B1583 10.422 19.067 15.206 1.00 0.00 C ATOM 0 H MET B1583 15.222 20.407 13.025 1.00 0.00 H new ATOM 0 HA MET B1583 13.091 19.203 11.925 1.00 0.00 H new ATOM 0 HB2 MET B1583 12.962 19.913 14.186 1.00 0.00 H new ATOM 0 HB3 MET B1583 13.285 21.587 13.780 1.00 0.00 H new ATOM 0 HG2 MET B1583 11.103 21.962 12.989 1.00 0.00 H new ATOM 0 HG3 MET B1583 10.797 20.259 12.712 1.00 0.00 H new ATOM 0 HE1 MET B1583 9.388 18.744 15.326 1.00 0.00 H new ATOM 0 HE2 MET B1583 10.851 18.590 14.325 1.00 0.00 H new ATOM 0 HE3 MET B1583 10.996 18.782 16.088 1.00 0.00 H new ATOM 1063 N PRO B1584 11.978 20.400 10.087 1.00 0.00 N ATOM 1064 CA PRO B1584 11.323 21.047 8.969 1.00 0.00 C ATOM 1065 C PRO B1584 10.126 21.846 9.442 1.00 0.00 C ATOM 1066 O PRO B1584 9.845 21.926 10.639 1.00 0.00 O ATOM 1067 CB PRO B1584 10.867 19.889 8.065 1.00 0.00 C ATOM 1068 CG PRO B1584 11.433 18.651 8.669 1.00 0.00 C ATOM 1069 CD PRO B1584 11.695 18.965 10.110 1.00 0.00 C ATOM 0 HA PRO B1584 11.982 21.745 8.453 1.00 0.00 H new ATOM 0 HB2 PRO B1584 9.779 19.837 8.016 1.00 0.00 H new ATOM 0 HB3 PRO B1584 11.226 20.025 7.045 1.00 0.00 H new ATOM 0 HG2 PRO B1584 10.736 17.819 8.573 1.00 0.00 H new ATOM 0 HG3 PRO B1584 12.352 18.357 8.162 1.00 0.00 H new ATOM 0 HD2 PRO B1584 10.834 18.733 10.737 1.00 0.00 H new ATOM 0 HD3 PRO B1584 12.537 18.394 10.501 1.00 0.00 H new ATOM 1077 N THR B1585 9.417 22.424 8.512 1.00 0.00 N ATOM 1078 CA THR B1585 8.266 23.223 8.844 1.00 0.00 C ATOM 1079 C THR B1585 7.009 22.503 8.410 1.00 0.00 C ATOM 1080 O THR B1585 6.953 21.952 7.310 1.00 0.00 O ATOM 1081 CB THR B1585 8.328 24.599 8.156 1.00 0.00 C ATOM 1082 OG1 THR B1585 9.577 25.243 8.447 1.00 0.00 O ATOM 1083 CG2 THR B1585 7.177 25.489 8.605 1.00 0.00 C ATOM 0 H THR B1585 9.616 22.357 7.514 1.00 0.00 H new ATOM 0 HA THR B1585 8.257 23.377 9.923 1.00 0.00 H new ATOM 0 HB THR B1585 8.244 24.440 7.081 1.00 0.00 H new ATOM 0 HG1 THR B1585 9.606 26.116 8.003 1.00 0.00 H new ATOM 0 HG21 THR B1585 7.246 26.454 8.103 1.00 0.00 H new ATOM 0 HG22 THR B1585 6.229 25.015 8.350 1.00 0.00 H new ATOM 0 HG23 THR B1585 7.230 25.636 9.684 1.00 0.00 H new ATOM 1091 N LYS B1586 6.019 22.472 9.284 1.00 0.00 N ATOM 1092 CA LYS B1586 4.722 21.956 8.911 1.00 0.00 C ATOM 1093 C LYS B1586 4.199 22.801 7.766 1.00 0.00 C ATOM 1094 O LYS B1586 3.848 23.964 7.948 1.00 0.00 O ATOM 1095 CB LYS B1586 3.759 21.982 10.091 1.00 0.00 C ATOM 1096 CG LYS B1586 2.410 21.370 9.769 1.00 0.00 C ATOM 1097 CD LYS B1586 1.474 21.443 10.958 1.00 0.00 C ATOM 1098 CE LYS B1586 1.890 20.473 12.058 1.00 0.00 C ATOM 1099 NZ LYS B1586 1.117 20.678 13.311 1.00 0.00 N ATOM 0 H LYS B1586 6.091 22.796 10.249 1.00 0.00 H new ATOM 0 HA LYS B1586 4.811 20.915 8.601 1.00 0.00 H new ATOM 0 HB2 LYS B1586 4.205 21.445 10.928 1.00 0.00 H new ATOM 0 HB3 LYS B1586 3.616 23.013 10.413 1.00 0.00 H new ATOM 0 HG2 LYS B1586 1.965 21.891 8.921 1.00 0.00 H new ATOM 0 HG3 LYS B1586 2.542 20.330 9.471 1.00 0.00 H new ATOM 0 HD2 LYS B1586 1.464 22.459 11.352 1.00 0.00 H new ATOM 0 HD3 LYS B1586 0.458 21.216 10.637 1.00 0.00 H new ATOM 0 HE2 LYS B1586 1.749 19.450 11.710 1.00 0.00 H new ATOM 0 HE3 LYS B1586 2.953 20.596 12.265 1.00 0.00 H new ATOM 0 HZ1 LYS B1586 1.457 20.020 14.041 1.00 0.00 H new ATOM 0 HZ2 LYS B1586 1.244 21.656 13.641 1.00 0.00 H new ATOM 0 HZ3 LYS B1586 0.108 20.502 13.129 1.00 0.00 H new ATOM 1113 N SER B1587 4.178 22.208 6.588 1.00 0.00 N ATOM 1114 CA SER B1587 3.912 22.933 5.349 1.00 0.00 C ATOM 1115 C SER B1587 2.491 23.488 5.274 1.00 0.00 C ATOM 1116 O SER B1587 2.143 24.166 4.308 1.00 0.00 O ATOM 1117 CB SER B1587 4.180 22.016 4.162 1.00 0.00 C ATOM 1118 OG SER B1587 3.695 20.706 4.419 1.00 0.00 O ATOM 0 H SER B1587 4.344 21.210 6.457 1.00 0.00 H new ATOM 0 HA SER B1587 4.581 23.793 5.325 1.00 0.00 H new ATOM 0 HB2 SER B1587 3.700 22.418 3.270 1.00 0.00 H new ATOM 0 HB3 SER B1587 5.250 21.979 3.959 1.00 0.00 H new ATOM 0 HG SER B1587 4.359 20.048 4.124 1.00 0.00 H new ATOM 1124 N SER B1588 1.698 23.217 6.307 1.00 0.00 N ATOM 1125 CA SER B1588 0.296 23.608 6.346 1.00 0.00 C ATOM 1126 C SER B1588 -0.468 22.938 5.213 1.00 0.00 C ATOM 1127 O SER B1588 -0.423 23.372 4.064 1.00 0.00 O ATOM 1128 CB SER B1588 0.147 25.125 6.279 1.00 0.00 C ATOM 1129 OG SER B1588 0.909 25.751 7.296 1.00 0.00 O ATOM 0 H SER B1588 2.012 22.720 7.140 1.00 0.00 H new ATOM 0 HA SER B1588 -0.127 23.276 7.294 1.00 0.00 H new ATOM 0 HB2 SER B1588 0.471 25.484 5.302 1.00 0.00 H new ATOM 0 HB3 SER B1588 -0.903 25.397 6.386 1.00 0.00 H new ATOM 0 HG SER B1588 0.801 26.723 7.234 1.00 0.00 H new ATOM 1135 N ARG B1589 -1.146 21.862 5.561 1.00 0.00 N ATOM 1136 CA ARG B1589 -1.892 21.052 4.612 1.00 0.00 C ATOM 1137 C ARG B1589 -2.807 21.916 3.748 1.00 0.00 C ATOM 1138 O ARG B1589 -3.631 22.665 4.261 1.00 0.00 O ATOM 1139 CB ARG B1589 -2.676 20.014 5.410 1.00 0.00 C ATOM 1140 CG ARG B1589 -3.445 19.010 4.582 1.00 0.00 C ATOM 1141 CD ARG B1589 -3.716 17.758 5.397 1.00 0.00 C ATOM 1142 NE ARG B1589 -4.524 18.020 6.593 1.00 0.00 N ATOM 1143 CZ ARG B1589 -5.749 17.527 6.799 1.00 0.00 C ATOM 1144 NH1 ARG B1589 -6.353 16.806 5.864 1.00 0.00 N ATOM 1145 NH2 ARG B1589 -6.370 17.774 7.944 1.00 0.00 N ATOM 0 H ARG B1589 -1.196 21.520 6.521 1.00 0.00 H new ATOM 0 HA ARG B1589 -1.213 20.551 3.922 1.00 0.00 H new ATOM 0 HB2 ARG B1589 -1.982 19.474 6.054 1.00 0.00 H new ATOM 0 HB3 ARG B1589 -3.376 20.535 6.063 1.00 0.00 H new ATOM 0 HG2 ARG B1589 -4.386 19.447 4.249 1.00 0.00 H new ATOM 0 HG3 ARG B1589 -2.878 18.755 3.687 1.00 0.00 H new ATOM 0 HD2 ARG B1589 -4.228 17.027 4.771 1.00 0.00 H new ATOM 0 HD3 ARG B1589 -2.767 17.313 5.696 1.00 0.00 H new ATOM 0 HE ARG B1589 -4.124 18.618 7.316 1.00 0.00 H new ATOM 0 HH11 ARG B1589 -5.882 16.623 4.978 1.00 0.00 H new ATOM 0 HH12 ARG B1589 -7.288 16.434 6.031 1.00 0.00 H new ATOM 0 HH21 ARG B1589 -5.913 18.337 8.661 1.00 0.00 H new ATOM 0 HH22 ARG B1589 -7.305 17.401 8.108 1.00 0.00 H new ATOM 1159 N LYS B1590 -2.647 21.812 2.435 1.00 0.00 N ATOM 1160 CA LYS B1590 -3.394 22.650 1.499 1.00 0.00 C ATOM 1161 C LYS B1590 -4.828 22.145 1.363 1.00 0.00 C ATOM 1162 O LYS B1590 -5.652 22.726 0.656 1.00 0.00 O ATOM 1163 CB LYS B1590 -2.700 22.698 0.129 1.00 0.00 C ATOM 1164 CG LYS B1590 -1.324 23.367 0.148 1.00 0.00 C ATOM 1165 CD LYS B1590 -0.273 22.497 0.823 1.00 0.00 C ATOM 1166 CE LYS B1590 1.046 23.231 0.996 1.00 0.00 C ATOM 1167 NZ LYS B1590 0.901 24.445 1.844 1.00 0.00 N ATOM 0 H LYS B1590 -2.006 21.155 1.991 1.00 0.00 H new ATOM 0 HA LYS B1590 -3.421 23.665 1.895 1.00 0.00 H new ATOM 0 HB2 LYS B1590 -2.592 21.681 -0.247 1.00 0.00 H new ATOM 0 HB3 LYS B1590 -3.342 23.231 -0.573 1.00 0.00 H new ATOM 0 HG2 LYS B1590 -1.013 23.584 -0.874 1.00 0.00 H new ATOM 0 HG3 LYS B1590 -1.393 24.322 0.669 1.00 0.00 H new ATOM 0 HD2 LYS B1590 -0.640 22.175 1.798 1.00 0.00 H new ATOM 0 HD3 LYS B1590 -0.112 21.597 0.230 1.00 0.00 H new ATOM 0 HE2 LYS B1590 1.778 22.560 1.446 1.00 0.00 H new ATOM 0 HE3 LYS B1590 1.433 23.516 0.018 1.00 0.00 H new ATOM 0 HZ1 LYS B1590 1.698 24.501 2.510 1.00 0.00 H new ATOM 0 HZ2 LYS B1590 0.894 25.292 1.240 1.00 0.00 H new ATOM 0 HZ3 LYS B1590 0.009 24.392 2.376 1.00 0.00 H new ATOM 1181 N ALA B1591 -5.103 21.045 2.043 1.00 0.00 N ATOM 1182 CA ALA B1591 -6.452 20.535 2.182 1.00 0.00 C ATOM 1183 C ALA B1591 -6.821 20.523 3.661 1.00 0.00 C ATOM 1184 O ALA B1591 -7.507 19.622 4.144 1.00 0.00 O ATOM 1185 CB ALA B1591 -6.567 19.145 1.573 1.00 0.00 C ATOM 0 H ALA B1591 -4.395 20.481 2.514 1.00 0.00 H new ATOM 0 HA ALA B1591 -7.147 21.180 1.645 1.00 0.00 H new ATOM 0 HB1 ALA B1591 -7.588 18.781 1.688 1.00 0.00 H new ATOM 0 HB2 ALA B1591 -6.315 19.190 0.513 1.00 0.00 H new ATOM 0 HB3 ALA B1591 -5.881 18.467 2.081 1.00 0.00 H new