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: B1587 SER OG : rot -138:sc= 0.732 USER MOD Set 1.2: B1590 LYS NZ :NH3+ -167:sc= 1.21 (180deg=1.23) USER MOD Single : A1073 LYS NZ :NH3+ -122:sc= 0.126 (180deg=-0.797) USER MOD Single : A1074 THR OG1 : rot 132:sc= 1.75 USER MOD Single : A1076 TYR OH : rot -23:sc= -0.944 USER MOD Single : A1078 CYS SG : rot 107:sc= -0.0786 USER MOD Single : A1079 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A1082 ASN : amide:sc= 0.556 K(o=0.56,f=-4!) USER MOD Single : A1087 THR OG1 : rot 180:sc= 0.913 USER MOD Single : A1097 THR OG1 : rot 180:sc= -1.33 USER MOD Single : A1102 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A1108 HIS : no HD1:sc= -1.17 K(o=-1.2,f=0.037) USER MOD Single : A1112 GLN : amide:sc= -3.92! K(o=-3.9!,f=-1) USER MOD Single : A1116 LYS NZ :NH3+ -157:sc= -0.135 (180deg=-0.626) USER MOD Single : A1122 SER OG : rot 180:sc= 0.0143 USER MOD Single : A1125 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A1128 SER OG : rot 120:sc= -0.228 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 -105:sc= -0.643 (180deg=-1.82) USER MOD Single : B1585 THR OG1 : rot 180:sc= 0 USER MOD Single : B1586 LYS NZ :NH3+ 136:sc= 0.762 (180deg=-0.087) USER MOD Single : B1588 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 19 N ARG A1070 3.297 1.452 -1.128 1.00 0.00 N ATOM 20 CA ARG A1070 3.953 2.703 -0.789 1.00 0.00 C ATOM 21 C ARG A1070 4.147 2.809 0.720 1.00 0.00 C ATOM 22 O ARG A1070 3.189 2.787 1.495 1.00 0.00 O ATOM 23 CB ARG A1070 3.175 3.907 -1.324 1.00 0.00 C ATOM 24 CG ARG A1070 3.914 5.225 -1.138 1.00 0.00 C ATOM 25 CD ARG A1070 3.267 6.357 -1.921 1.00 0.00 C ATOM 26 NE ARG A1070 3.351 6.152 -3.370 1.00 0.00 N ATOM 27 CZ ARG A1070 3.041 7.081 -4.274 1.00 0.00 C ATOM 28 NH1 ARG A1070 2.564 8.260 -3.885 1.00 0.00 N ATOM 29 NH2 ARG A1070 3.200 6.827 -5.570 1.00 0.00 N ATOM 0 HA ARG A1070 4.933 2.709 -1.267 1.00 0.00 H new ATOM 0 HB2 ARG A1070 2.971 3.758 -2.384 1.00 0.00 H new ATOM 0 HB3 ARG A1070 2.211 3.963 -0.818 1.00 0.00 H new ATOM 0 HG2 ARG A1070 3.935 5.482 -0.079 1.00 0.00 H new ATOM 0 HG3 ARG A1070 4.949 5.108 -1.458 1.00 0.00 H new ATOM 0 HD2 ARG A1070 2.221 6.446 -1.629 1.00 0.00 H new ATOM 0 HD3 ARG A1070 3.751 7.298 -1.661 1.00 0.00 H new ATOM 0 HE ARG A1070 3.666 5.242 -3.707 1.00 0.00 H new ATOM 0 HH11 ARG A1070 2.434 8.455 -2.892 1.00 0.00 H new ATOM 0 HH12 ARG A1070 2.328 8.969 -4.579 1.00 0.00 H new ATOM 0 HH21 ARG A1070 3.559 5.921 -5.872 1.00 0.00 H new ATOM 0 HH22 ARG A1070 2.963 7.538 -6.262 1.00 0.00 H new ATOM 43 N ARG A1071 5.400 2.917 1.115 1.00 0.00 N ATOM 44 CA ARG A1071 5.793 2.933 2.514 1.00 0.00 C ATOM 45 C ARG A1071 6.667 4.151 2.759 1.00 0.00 C ATOM 46 O ARG A1071 7.347 4.611 1.843 1.00 0.00 O ATOM 47 CB ARG A1071 6.571 1.647 2.807 1.00 0.00 C ATOM 48 CG ARG A1071 6.980 1.411 4.248 1.00 0.00 C ATOM 49 CD ARG A1071 7.926 0.224 4.295 1.00 0.00 C ATOM 50 NE ARG A1071 8.189 -0.274 5.639 1.00 0.00 N ATOM 51 CZ ARG A1071 9.367 -0.762 6.028 1.00 0.00 C ATOM 52 NH1 ARG A1071 10.405 -0.727 5.200 1.00 0.00 N ATOM 53 NH2 ARG A1071 9.503 -1.299 7.234 1.00 0.00 N ATOM 0 H ARG A1071 6.184 2.997 0.468 1.00 0.00 H new ATOM 0 HA ARG A1071 4.922 2.985 3.167 1.00 0.00 H new ATOM 0 HB2 ARG A1071 5.965 0.801 2.483 1.00 0.00 H new ATOM 0 HB3 ARG A1071 7.472 1.647 2.193 1.00 0.00 H new ATOM 0 HG2 ARG A1071 7.466 2.298 4.653 1.00 0.00 H new ATOM 0 HG3 ARG A1071 6.101 1.219 4.864 1.00 0.00 H new ATOM 0 HD2 ARG A1071 7.508 -0.584 3.695 1.00 0.00 H new ATOM 0 HD3 ARG A1071 8.871 0.508 3.833 1.00 0.00 H new ATOM 0 HE ARG A1071 7.430 -0.248 6.320 1.00 0.00 H new ATOM 0 HH11 ARG A1071 10.300 -0.327 4.268 1.00 0.00 H new ATOM 0 HH12 ARG A1071 11.307 -1.100 5.497 1.00 0.00 H new ATOM 0 HH21 ARG A1071 8.704 -1.340 7.867 1.00 0.00 H new ATOM 0 HH22 ARG A1071 10.406 -1.671 7.528 1.00 0.00 H new ATOM 67 N VAL A1072 6.637 4.696 3.962 1.00 0.00 N ATOM 68 CA VAL A1072 7.488 5.828 4.296 1.00 0.00 C ATOM 69 C VAL A1072 8.102 5.653 5.672 1.00 0.00 C ATOM 70 O VAL A1072 7.537 4.991 6.541 1.00 0.00 O ATOM 71 CB VAL A1072 6.733 7.182 4.251 1.00 0.00 C ATOM 72 CG1 VAL A1072 6.233 7.489 2.848 1.00 0.00 C ATOM 73 CG2 VAL A1072 5.579 7.200 5.244 1.00 0.00 C ATOM 0 H VAL A1072 6.036 4.376 4.722 1.00 0.00 H new ATOM 0 HA VAL A1072 8.269 5.852 3.536 1.00 0.00 H new ATOM 0 HB VAL A1072 7.441 7.960 4.536 1.00 0.00 H new ATOM 0 HG11 VAL A1072 5.708 8.444 2.850 1.00 0.00 H new ATOM 0 HG12 VAL A1072 7.080 7.541 2.163 1.00 0.00 H new ATOM 0 HG13 VAL A1072 5.552 6.702 2.524 1.00 0.00 H new ATOM 0 HG21 VAL A1072 5.068 8.161 5.190 1.00 0.00 H new ATOM 0 HG22 VAL A1072 4.877 6.402 5.001 1.00 0.00 H new ATOM 0 HG23 VAL A1072 5.964 7.050 6.252 1.00 0.00 H new ATOM 83 N LYS A1073 9.267 6.235 5.855 1.00 0.00 N ATOM 84 CA LYS A1073 9.948 6.208 7.134 1.00 0.00 C ATOM 85 C LYS A1073 10.056 7.632 7.653 1.00 0.00 C ATOM 86 O LYS A1073 10.330 8.560 6.891 1.00 0.00 O ATOM 87 CB LYS A1073 11.327 5.547 6.982 1.00 0.00 C ATOM 88 CG LYS A1073 12.197 5.557 8.234 1.00 0.00 C ATOM 89 CD LYS A1073 12.993 6.852 8.338 1.00 0.00 C ATOM 90 CE LYS A1073 14.245 6.712 9.188 1.00 0.00 C ATOM 91 NZ LYS A1073 13.944 6.682 10.639 1.00 0.00 N ATOM 0 H LYS A1073 9.769 6.739 5.124 1.00 0.00 H new ATOM 0 HA LYS A1073 9.386 5.615 7.856 1.00 0.00 H new ATOM 0 HB2 LYS A1073 11.183 4.513 6.668 1.00 0.00 H new ATOM 0 HB3 LYS A1073 11.867 6.051 6.181 1.00 0.00 H new ATOM 0 HG2 LYS A1073 11.570 5.440 9.118 1.00 0.00 H new ATOM 0 HG3 LYS A1073 12.880 4.707 8.213 1.00 0.00 H new ATOM 0 HD2 LYS A1073 13.274 7.180 7.338 1.00 0.00 H new ATOM 0 HD3 LYS A1073 12.358 7.630 8.762 1.00 0.00 H new ATOM 0 HE2 LYS A1073 14.769 5.798 8.910 1.00 0.00 H new ATOM 0 HE3 LYS A1073 14.919 7.542 8.977 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 14.451 7.455 11.115 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 12.921 6.798 10.784 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 14.249 5.771 11.038 1.00 0.00 H new ATOM 105 N THR A1074 9.813 7.809 8.938 1.00 0.00 N ATOM 106 CA THR A1074 9.819 9.128 9.530 1.00 0.00 C ATOM 107 C THR A1074 11.239 9.561 9.855 1.00 0.00 C ATOM 108 O THR A1074 11.978 8.858 10.556 1.00 0.00 O ATOM 109 CB THR A1074 8.965 9.164 10.802 1.00 0.00 C ATOM 110 OG1 THR A1074 9.575 8.368 11.811 1.00 0.00 O ATOM 111 CG2 THR A1074 7.571 8.628 10.521 1.00 0.00 C ATOM 0 H THR A1074 9.609 7.052 9.591 1.00 0.00 H new ATOM 0 HA THR A1074 9.392 9.819 8.804 1.00 0.00 H new ATOM 0 HB THR A1074 8.889 10.198 11.140 1.00 0.00 H new ATOM 0 HG1 THR A1074 9.609 8.873 12.650 1.00 0.00 H new ATOM 0 HG21 THR A1074 6.978 8.661 11.435 1.00 0.00 H new ATOM 0 HG22 THR A1074 7.093 9.240 9.756 1.00 0.00 H new ATOM 0 HG23 THR A1074 7.641 7.598 10.170 1.00 0.00 H new ATOM 119 N ILE A1075 11.622 10.711 9.335 1.00 0.00 N ATOM 120 CA ILE A1075 12.969 11.208 9.523 1.00 0.00 C ATOM 121 C ILE A1075 12.979 12.364 10.507 1.00 0.00 C ATOM 122 O ILE A1075 14.025 12.944 10.802 1.00 0.00 O ATOM 123 CB ILE A1075 13.595 11.649 8.191 1.00 0.00 C ATOM 124 CG1 ILE A1075 12.677 12.606 7.433 1.00 0.00 C ATOM 125 CG2 ILE A1075 13.911 10.439 7.331 1.00 0.00 C ATOM 126 CD1 ILE A1075 13.296 13.167 6.169 1.00 0.00 C ATOM 0 H ILE A1075 11.019 11.318 8.779 1.00 0.00 H new ATOM 0 HA ILE A1075 13.567 10.391 9.927 1.00 0.00 H new ATOM 0 HB ILE A1075 14.520 12.178 8.418 1.00 0.00 H new ATOM 0 HG12 ILE A1075 11.755 12.084 7.176 1.00 0.00 H new ATOM 0 HG13 ILE A1075 12.403 13.431 8.091 1.00 0.00 H new ATOM 0 HG21 ILE A1075 14.354 10.767 6.391 1.00 0.00 H new ATOM 0 HG22 ILE A1075 14.613 9.792 7.857 1.00 0.00 H new ATOM 0 HG23 ILE A1075 12.993 9.888 7.127 1.00 0.00 H new ATOM 0 HD11 ILE A1075 12.587 13.838 5.684 1.00 0.00 H new ATOM 0 HD12 ILE A1075 14.202 13.717 6.421 1.00 0.00 H new ATOM 0 HD13 ILE A1075 13.544 12.350 5.492 1.00 0.00 H new ATOM 138 N TYR A1076 11.797 12.681 11.003 1.00 0.00 N ATOM 139 CA TYR A1076 11.617 13.753 11.970 1.00 0.00 C ATOM 140 C TYR A1076 10.576 13.382 13.015 1.00 0.00 C ATOM 141 O TYR A1076 9.873 12.380 12.880 1.00 0.00 O ATOM 142 CB TYR A1076 11.165 15.031 11.273 1.00 0.00 C ATOM 143 CG TYR A1076 12.210 15.668 10.395 1.00 0.00 C ATOM 144 CD1 TYR A1076 13.184 16.481 10.940 1.00 0.00 C ATOM 145 CD2 TYR A1076 12.209 15.472 9.022 1.00 0.00 C ATOM 146 CE1 TYR A1076 14.126 17.090 10.141 1.00 0.00 C ATOM 147 CE2 TYR A1076 13.149 16.073 8.217 1.00 0.00 C ATOM 148 CZ TYR A1076 14.100 16.883 8.777 1.00 0.00 C ATOM 149 OH TYR A1076 15.036 17.493 7.976 1.00 0.00 O ATOM 0 H TYR A1076 10.933 12.203 10.748 1.00 0.00 H new ATOM 0 HA TYR A1076 12.579 13.913 12.458 1.00 0.00 H new ATOM 0 HB2 TYR A1076 10.287 14.808 10.667 1.00 0.00 H new ATOM 0 HB3 TYR A1076 10.856 15.752 12.029 1.00 0.00 H new ATOM 0 HD1 TYR A1076 13.207 16.642 12.008 1.00 0.00 H new ATOM 0 HD2 TYR A1076 11.457 14.837 8.577 1.00 0.00 H new ATOM 0 HE1 TYR A1076 14.881 17.726 10.579 1.00 0.00 H new ATOM 0 HE2 TYR A1076 13.137 15.907 7.150 1.00 0.00 H new ATOM 0 HH TYR A1076 15.386 18.288 8.429 1.00 0.00 H new ATOM 159 N ASP A1077 10.469 14.223 14.040 1.00 0.00 N ATOM 160 CA ASP A1077 9.486 14.037 15.095 1.00 0.00 C ATOM 161 C ASP A1077 8.352 15.016 14.887 1.00 0.00 C ATOM 162 O ASP A1077 8.491 16.209 15.156 1.00 0.00 O ATOM 163 CB ASP A1077 10.091 14.271 16.481 1.00 0.00 C ATOM 164 CG ASP A1077 11.270 13.373 16.787 1.00 0.00 C ATOM 165 OD1 ASP A1077 11.052 12.198 17.160 1.00 0.00 O ATOM 166 OD2 ASP A1077 12.420 13.849 16.684 1.00 0.00 O ATOM 0 H ASP A1077 11.059 15.047 14.160 1.00 0.00 H new ATOM 0 HA ASP A1077 9.129 13.008 15.048 1.00 0.00 H new ATOM 0 HB2 ASP A1077 10.407 15.311 16.559 1.00 0.00 H new ATOM 0 HB3 ASP A1077 9.320 14.115 17.236 1.00 0.00 H new ATOM 171 N CYS A1078 7.236 14.513 14.416 1.00 0.00 N ATOM 172 CA CYS A1078 6.107 15.359 14.087 1.00 0.00 C ATOM 173 C CYS A1078 4.905 14.996 14.933 1.00 0.00 C ATOM 174 O CYS A1078 4.663 13.827 15.228 1.00 0.00 O ATOM 175 CB CYS A1078 5.753 15.232 12.606 1.00 0.00 C ATOM 176 SG CYS A1078 4.386 16.292 12.076 1.00 0.00 S ATOM 0 H CYS A1078 7.082 13.518 14.250 1.00 0.00 H new ATOM 0 HA CYS A1078 6.387 16.391 14.296 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.635 15.471 12.012 1.00 0.00 H new ATOM 0 HB3 CYS A1078 5.497 14.194 12.393 1.00 0.00 H new ATOM 0 HG CYS A1078 4.850 17.275 11.363 1.00 0.00 H new ATOM 182 N GLN A1079 4.155 16.002 15.313 1.00 0.00 N ATOM 183 CA GLN A1079 2.958 15.783 16.099 1.00 0.00 C ATOM 184 C GLN A1079 1.786 16.506 15.466 1.00 0.00 C ATOM 185 O GLN A1079 1.938 17.594 14.907 1.00 0.00 O ATOM 186 CB GLN A1079 3.186 16.234 17.543 1.00 0.00 C ATOM 187 CG GLN A1079 1.968 16.112 18.441 1.00 0.00 C ATOM 188 CD GLN A1079 2.287 16.418 19.892 1.00 0.00 C ATOM 189 OE1 GLN A1079 3.400 16.170 20.363 1.00 0.00 O ATOM 190 NE2 GLN A1079 1.321 16.970 20.606 1.00 0.00 N ATOM 0 H GLN A1079 4.349 16.979 15.093 1.00 0.00 H new ATOM 0 HA GLN A1079 2.725 14.718 16.118 1.00 0.00 H new ATOM 0 HB2 GLN A1079 3.997 15.645 17.970 1.00 0.00 H new ATOM 0 HB3 GLN A1079 3.515 17.273 17.538 1.00 0.00 H new ATOM 0 HG2 GLN A1079 1.192 16.793 18.091 1.00 0.00 H new ATOM 0 HG3 GLN A1079 1.564 15.102 18.366 1.00 0.00 H new ATOM 0 HE21 GLN A1079 0.415 17.159 20.178 1.00 0.00 H new ATOM 0 HE22 GLN A1079 1.482 17.207 21.585 1.00 0.00 H new ATOM 199 N ALA A1080 0.629 15.867 15.544 1.00 0.00 N ATOM 200 CA ALA A1080 -0.581 16.345 14.894 1.00 0.00 C ATOM 201 C ALA A1080 -0.929 17.764 15.312 1.00 0.00 C ATOM 202 O ALA A1080 -1.023 18.075 16.499 1.00 0.00 O ATOM 203 CB ALA A1080 -1.736 15.414 15.205 1.00 0.00 C ATOM 0 H ALA A1080 0.503 14.998 16.063 1.00 0.00 H new ATOM 0 HA ALA A1080 -0.397 16.356 13.820 1.00 0.00 H new ATOM 0 HB1 ALA A1080 -2.639 15.778 14.715 1.00 0.00 H new ATOM 0 HB2 ALA A1080 -1.504 14.413 14.841 1.00 0.00 H new ATOM 0 HB3 ALA A1080 -1.896 15.381 16.283 1.00 0.00 H new ATOM 209 N ASP A1081 -1.115 18.613 14.314 1.00 0.00 N ATOM 210 CA ASP A1081 -1.506 19.997 14.538 1.00 0.00 C ATOM 211 C ASP A1081 -2.983 20.054 14.873 1.00 0.00 C ATOM 212 O ASP A1081 -3.397 20.694 15.839 1.00 0.00 O ATOM 213 CB ASP A1081 -1.226 20.838 13.295 1.00 0.00 C ATOM 214 CG ASP A1081 -1.617 22.288 13.479 1.00 0.00 C ATOM 215 OD1 ASP A1081 -0.849 23.037 14.116 1.00 0.00 O ATOM 216 OD2 ASP A1081 -2.680 22.692 12.962 1.00 0.00 O ATOM 0 H ASP A1081 -1.000 18.365 13.331 1.00 0.00 H new ATOM 0 HA ASP A1081 -0.925 20.400 15.368 1.00 0.00 H new ATOM 0 HB2 ASP A1081 -0.165 20.779 13.051 1.00 0.00 H new ATOM 0 HB3 ASP A1081 -1.772 20.422 12.448 1.00 0.00 H new ATOM 221 N ASN A1082 -3.772 19.382 14.053 1.00 0.00 N ATOM 222 CA ASN A1082 -5.184 19.210 14.323 1.00 0.00 C ATOM 223 C ASN A1082 -5.434 17.750 14.682 1.00 0.00 C ATOM 224 O ASN A1082 -4.482 16.992 14.845 1.00 0.00 O ATOM 225 CB ASN A1082 -6.022 19.613 13.107 1.00 0.00 C ATOM 226 CG ASN A1082 -7.434 20.022 13.478 1.00 0.00 C ATOM 227 OD1 ASN A1082 -8.326 19.185 13.595 1.00 0.00 O ATOM 228 ND2 ASN A1082 -7.644 21.316 13.641 1.00 0.00 N ATOM 0 H ASN A1082 -3.453 18.944 13.189 1.00 0.00 H new ATOM 0 HA ASN A1082 -5.478 19.852 15.154 1.00 0.00 H new ATOM 0 HB2 ASN A1082 -5.533 20.439 12.592 1.00 0.00 H new ATOM 0 HB3 ASN A1082 -6.062 18.779 12.406 1.00 0.00 H new ATOM 0 HD21 ASN A1082 -8.577 21.656 13.874 1.00 0.00 H new ATOM 0 HD22 ASN A1082 -6.873 21.975 13.534 1.00 0.00 H new ATOM 235 N ASP A1083 -6.685 17.344 14.792 1.00 0.00 N ATOM 236 CA ASP A1083 -6.999 15.967 15.162 1.00 0.00 C ATOM 237 C ASP A1083 -6.743 15.006 14.001 1.00 0.00 C ATOM 238 O ASP A1083 -6.340 13.862 14.205 1.00 0.00 O ATOM 239 CB ASP A1083 -8.456 15.856 15.616 1.00 0.00 C ATOM 240 CG ASP A1083 -8.862 14.426 15.905 1.00 0.00 C ATOM 241 OD1 ASP A1083 -8.565 13.933 17.013 1.00 0.00 O ATOM 242 OD2 ASP A1083 -9.471 13.786 15.022 1.00 0.00 O ATOM 0 H ASP A1083 -7.498 17.939 14.633 1.00 0.00 H new ATOM 0 HA ASP A1083 -6.343 15.688 15.987 1.00 0.00 H new ATOM 0 HB2 ASP A1083 -8.602 16.461 16.511 1.00 0.00 H new ATOM 0 HB3 ASP A1083 -9.107 16.267 14.844 1.00 0.00 H new ATOM 247 N ASP A1084 -6.947 15.494 12.786 1.00 0.00 N ATOM 248 CA ASP A1084 -6.918 14.650 11.592 1.00 0.00 C ATOM 249 C ASP A1084 -5.484 14.369 11.132 1.00 0.00 C ATOM 250 O ASP A1084 -5.241 13.479 10.314 1.00 0.00 O ATOM 251 CB ASP A1084 -7.722 15.333 10.483 1.00 0.00 C ATOM 252 CG ASP A1084 -7.845 14.510 9.219 1.00 0.00 C ATOM 253 OD1 ASP A1084 -8.330 13.360 9.290 1.00 0.00 O ATOM 254 OD2 ASP A1084 -7.501 15.038 8.142 1.00 0.00 O ATOM 0 H ASP A1084 -7.136 16.478 12.597 1.00 0.00 H new ATOM 0 HA ASP A1084 -7.367 13.686 11.831 1.00 0.00 H new ATOM 0 HB2 ASP A1084 -8.721 15.557 10.857 1.00 0.00 H new ATOM 0 HB3 ASP A1084 -7.251 16.286 10.240 1.00 0.00 H new ATOM 259 N GLU A1085 -4.534 15.121 11.665 1.00 0.00 N ATOM 260 CA GLU A1085 -3.130 14.910 11.336 1.00 0.00 C ATOM 261 C GLU A1085 -2.557 13.733 12.125 1.00 0.00 C ATOM 262 O GLU A1085 -3.171 13.252 13.079 1.00 0.00 O ATOM 263 CB GLU A1085 -2.301 16.171 11.601 1.00 0.00 C ATOM 264 CG GLU A1085 -2.435 17.244 10.526 1.00 0.00 C ATOM 265 CD GLU A1085 -3.667 18.109 10.685 1.00 0.00 C ATOM 266 OE1 GLU A1085 -4.752 17.707 10.228 1.00 0.00 O ATOM 267 OE2 GLU A1085 -3.547 19.210 11.254 1.00 0.00 O ATOM 0 H GLU A1085 -4.706 15.880 12.324 1.00 0.00 H new ATOM 0 HA GLU A1085 -3.075 14.680 10.272 1.00 0.00 H new ATOM 0 HB2 GLU A1085 -2.600 16.594 12.560 1.00 0.00 H new ATOM 0 HB3 GLU A1085 -1.251 15.890 11.690 1.00 0.00 H new ATOM 0 HG2 GLU A1085 -1.550 17.880 10.546 1.00 0.00 H new ATOM 0 HG3 GLU A1085 -2.461 16.765 9.547 1.00 0.00 H new ATOM 274 N LEU A1086 -1.383 13.275 11.710 1.00 0.00 N ATOM 275 CA LEU A1086 -0.729 12.132 12.338 1.00 0.00 C ATOM 276 C LEU A1086 0.437 12.578 13.221 1.00 0.00 C ATOM 277 O LEU A1086 1.186 13.491 12.865 1.00 0.00 O ATOM 278 CB LEU A1086 -0.204 11.179 11.256 1.00 0.00 C ATOM 279 CG LEU A1086 0.329 9.837 11.761 1.00 0.00 C ATOM 280 CD1 LEU A1086 -0.818 8.920 12.132 1.00 0.00 C ATOM 281 CD2 LEU A1086 1.207 9.178 10.714 1.00 0.00 C ATOM 0 H LEU A1086 -0.860 13.681 10.934 1.00 0.00 H new ATOM 0 HA LEU A1086 -1.464 11.624 12.963 1.00 0.00 H new ATOM 0 HB2 LEU A1086 -1.008 10.986 10.545 1.00 0.00 H new ATOM 0 HB3 LEU A1086 0.592 11.683 10.708 1.00 0.00 H new ATOM 0 HG LEU A1086 0.933 10.023 12.649 1.00 0.00 H new ATOM 0 HD11 LEU A1086 -0.423 7.969 12.489 1.00 0.00 H new ATOM 0 HD12 LEU A1086 -1.415 9.383 12.918 1.00 0.00 H new ATOM 0 HD13 LEU A1086 -1.443 8.747 11.256 1.00 0.00 H new ATOM 0 HD21 LEU A1086 1.575 8.225 11.095 1.00 0.00 H new ATOM 0 HD22 LEU A1086 0.626 9.007 9.808 1.00 0.00 H new ATOM 0 HD23 LEU A1086 2.052 9.828 10.486 1.00 0.00 H new ATOM 293 N THR A1087 0.583 11.928 14.369 1.00 0.00 N ATOM 294 CA THR A1087 1.735 12.139 15.230 1.00 0.00 C ATOM 295 C THR A1087 2.714 10.974 15.072 1.00 0.00 C ATOM 296 O THR A1087 2.388 9.826 15.383 1.00 0.00 O ATOM 297 CB THR A1087 1.319 12.275 16.712 1.00 0.00 C ATOM 298 OG1 THR A1087 0.391 13.358 16.868 1.00 0.00 O ATOM 299 CG2 THR A1087 2.529 12.512 17.603 1.00 0.00 C ATOM 0 H THR A1087 -0.088 11.247 14.725 1.00 0.00 H new ATOM 0 HA THR A1087 2.215 13.071 14.930 1.00 0.00 H new ATOM 0 HB THR A1087 0.845 11.341 17.012 1.00 0.00 H new ATOM 0 HG1 THR A1087 0.133 13.434 17.810 1.00 0.00 H new ATOM 0 HG21 THR A1087 2.205 12.604 18.640 1.00 0.00 H new ATOM 0 HG22 THR A1087 3.218 11.673 17.511 1.00 0.00 H new ATOM 0 HG23 THR A1087 3.032 13.430 17.297 1.00 0.00 H new ATOM 307 N PHE A1088 3.906 11.274 14.581 1.00 0.00 N ATOM 308 CA PHE A1088 4.911 10.257 14.309 1.00 0.00 C ATOM 309 C PHE A1088 6.290 10.763 14.709 1.00 0.00 C ATOM 310 O PHE A1088 6.653 11.898 14.413 1.00 0.00 O ATOM 311 CB PHE A1088 4.891 9.861 12.824 1.00 0.00 C ATOM 312 CG PHE A1088 4.959 11.026 11.871 1.00 0.00 C ATOM 313 CD1 PHE A1088 3.813 11.720 11.525 1.00 0.00 C ATOM 314 CD2 PHE A1088 6.167 11.425 11.317 1.00 0.00 C ATOM 315 CE1 PHE A1088 3.867 12.781 10.651 1.00 0.00 C ATOM 316 CE2 PHE A1088 6.226 12.488 10.441 1.00 0.00 C ATOM 317 CZ PHE A1088 5.076 13.168 10.108 1.00 0.00 C ATOM 0 H PHE A1088 4.204 12.224 14.360 1.00 0.00 H new ATOM 0 HA PHE A1088 4.679 9.371 14.900 1.00 0.00 H new ATOM 0 HB2 PHE A1088 5.731 9.195 12.626 1.00 0.00 H new ATOM 0 HB3 PHE A1088 3.981 9.295 12.623 1.00 0.00 H new ATOM 0 HD1 PHE A1088 2.864 11.425 11.947 1.00 0.00 H new ATOM 0 HD2 PHE A1088 7.073 10.896 11.575 1.00 0.00 H new ATOM 0 HE1 PHE A1088 2.963 13.311 10.389 1.00 0.00 H new ATOM 0 HE2 PHE A1088 7.173 12.787 10.017 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.120 14.002 9.424 1.00 0.00 H new ATOM 327 N ILE A1089 7.056 9.922 15.375 1.00 0.00 N ATOM 328 CA ILE A1089 8.360 10.335 15.881 1.00 0.00 C ATOM 329 C ILE A1089 9.464 9.776 15.002 1.00 0.00 C ATOM 330 O ILE A1089 9.241 8.812 14.278 1.00 0.00 O ATOM 331 CB ILE A1089 8.588 9.898 17.348 1.00 0.00 C ATOM 332 CG1 ILE A1089 8.799 8.375 17.475 1.00 0.00 C ATOM 333 CG2 ILE A1089 7.425 10.360 18.210 1.00 0.00 C ATOM 334 CD1 ILE A1089 7.606 7.530 17.077 1.00 0.00 C ATOM 0 H ILE A1089 6.805 8.955 15.580 1.00 0.00 H new ATOM 0 HA ILE A1089 8.383 11.424 15.855 1.00 0.00 H new ATOM 0 HB ILE A1089 9.504 10.371 17.700 1.00 0.00 H new ATOM 0 HG12 ILE A1089 9.651 8.088 16.858 1.00 0.00 H new ATOM 0 HG13 ILE A1089 9.061 8.144 18.508 1.00 0.00 H new ATOM 0 HG21 ILE A1089 7.591 10.050 19.242 1.00 0.00 H new ATOM 0 HG22 ILE A1089 7.348 11.446 18.166 1.00 0.00 H new ATOM 0 HG23 ILE A1089 6.500 9.916 17.842 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.850 6.475 17.200 1.00 0.00 H new ATOM 0 HD12 ILE A1089 6.755 7.782 17.710 1.00 0.00 H new ATOM 0 HD13 ILE A1089 7.354 7.725 16.035 1.00 0.00 H new ATOM 346 N GLU A1090 10.642 10.379 15.064 1.00 0.00 N ATOM 347 CA GLU A1090 11.753 9.962 14.216 1.00 0.00 C ATOM 348 C GLU A1090 12.093 8.498 14.482 1.00 0.00 C ATOM 349 O GLU A1090 12.315 8.105 15.629 1.00 0.00 O ATOM 350 CB GLU A1090 12.974 10.852 14.472 1.00 0.00 C ATOM 351 CG GLU A1090 14.074 10.737 13.419 1.00 0.00 C ATOM 352 CD GLU A1090 14.812 9.412 13.449 1.00 0.00 C ATOM 353 OE1 GLU A1090 15.533 9.150 14.436 1.00 0.00 O ATOM 354 OE2 GLU A1090 14.683 8.627 12.487 1.00 0.00 O ATOM 0 H GLU A1090 10.855 11.156 15.690 1.00 0.00 H new ATOM 0 HA GLU A1090 11.461 10.067 13.171 1.00 0.00 H new ATOM 0 HB2 GLU A1090 12.646 11.890 14.525 1.00 0.00 H new ATOM 0 HB3 GLU A1090 13.393 10.600 15.446 1.00 0.00 H new ATOM 0 HG2 GLU A1090 13.635 10.876 12.431 1.00 0.00 H new ATOM 0 HG3 GLU A1090 14.791 11.545 13.565 1.00 0.00 H new ATOM 361 N GLY A1091 12.120 7.702 13.421 1.00 0.00 N ATOM 362 CA GLY A1091 12.446 6.295 13.554 1.00 0.00 C ATOM 363 C GLY A1091 11.227 5.419 13.405 1.00 0.00 C ATOM 364 O GLY A1091 11.305 4.195 13.502 1.00 0.00 O ATOM 0 H GLY A1091 11.921 8.007 12.468 1.00 0.00 H new ATOM 0 HA2 GLY A1091 13.185 6.021 12.801 1.00 0.00 H new ATOM 0 HA3 GLY A1091 12.903 6.119 14.528 1.00 0.00 H new ATOM 368 N GLU A1092 10.098 6.060 13.189 1.00 0.00 N ATOM 369 CA GLU A1092 8.834 5.375 13.003 1.00 0.00 C ATOM 370 C GLU A1092 8.635 5.072 11.522 1.00 0.00 C ATOM 371 O GLU A1092 9.290 5.666 10.662 1.00 0.00 O ATOM 372 CB GLU A1092 7.696 6.252 13.530 1.00 0.00 C ATOM 373 CG GLU A1092 6.376 5.536 13.738 1.00 0.00 C ATOM 374 CD GLU A1092 6.518 4.237 14.506 1.00 0.00 C ATOM 375 OE1 GLU A1092 6.864 3.212 13.882 1.00 0.00 O ATOM 376 OE2 GLU A1092 6.270 4.232 15.730 1.00 0.00 O ATOM 0 H GLU A1092 10.030 7.076 13.137 1.00 0.00 H new ATOM 0 HA GLU A1092 8.836 4.436 13.556 1.00 0.00 H new ATOM 0 HB2 GLU A1092 8.006 6.692 14.478 1.00 0.00 H new ATOM 0 HB3 GLU A1092 7.539 7.075 12.833 1.00 0.00 H new ATOM 0 HG2 GLU A1092 5.693 6.195 14.274 1.00 0.00 H new ATOM 0 HG3 GLU A1092 5.925 5.330 12.768 1.00 0.00 H new ATOM 383 N VAL A1093 7.742 4.150 11.224 1.00 0.00 N ATOM 384 CA VAL A1093 7.495 3.745 9.844 1.00 0.00 C ATOM 385 C VAL A1093 6.006 3.808 9.555 1.00 0.00 C ATOM 386 O VAL A1093 5.192 3.310 10.331 1.00 0.00 O ATOM 387 CB VAL A1093 8.012 2.318 9.540 1.00 0.00 C ATOM 388 CG1 VAL A1093 7.758 1.952 8.079 1.00 0.00 C ATOM 389 CG2 VAL A1093 9.493 2.200 9.867 1.00 0.00 C ATOM 0 H VAL A1093 7.172 3.663 11.916 1.00 0.00 H new ATOM 0 HA VAL A1093 8.043 4.436 9.203 1.00 0.00 H new ATOM 0 HB VAL A1093 7.464 1.618 10.171 1.00 0.00 H new ATOM 0 HG11 VAL A1093 8.129 0.945 7.886 1.00 0.00 H new ATOM 0 HG12 VAL A1093 6.688 1.990 7.875 1.00 0.00 H new ATOM 0 HG13 VAL A1093 8.276 2.660 7.431 1.00 0.00 H new ATOM 0 HG21 VAL A1093 9.835 1.189 9.646 1.00 0.00 H new ATOM 0 HG22 VAL A1093 10.056 2.913 9.266 1.00 0.00 H new ATOM 0 HG23 VAL A1093 9.650 2.413 10.924 1.00 0.00 H new ATOM 399 N ILE A1094 5.650 4.429 8.448 1.00 0.00 N ATOM 400 CA ILE A1094 4.249 4.599 8.104 1.00 0.00 C ATOM 401 C ILE A1094 3.923 3.905 6.784 1.00 0.00 C ATOM 402 O ILE A1094 4.679 3.994 5.815 1.00 0.00 O ATOM 403 CB ILE A1094 3.869 6.091 7.992 1.00 0.00 C ATOM 404 CG1 ILE A1094 4.447 6.885 9.166 1.00 0.00 C ATOM 405 CG2 ILE A1094 2.355 6.245 7.945 1.00 0.00 C ATOM 406 CD1 ILE A1094 4.265 8.382 9.035 1.00 0.00 C ATOM 0 H ILE A1094 6.306 4.823 7.773 1.00 0.00 H new ATOM 0 HA ILE A1094 3.669 4.146 8.908 1.00 0.00 H new ATOM 0 HB ILE A1094 4.292 6.487 7.069 1.00 0.00 H new ATOM 0 HG12 ILE A1094 3.973 6.549 10.089 1.00 0.00 H new ATOM 0 HG13 ILE A1094 5.511 6.663 9.255 1.00 0.00 H new ATOM 0 HG21 ILE A1094 2.099 7.302 7.866 1.00 0.00 H new ATOM 0 HG22 ILE A1094 1.962 5.711 7.080 1.00 0.00 H new ATOM 0 HG23 ILE A1094 1.919 5.833 8.855 1.00 0.00 H new ATOM 0 HD11 ILE A1094 4.699 8.879 9.903 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.763 8.731 8.130 1.00 0.00 H new ATOM 0 HD13 ILE A1094 3.202 8.616 8.977 1.00 0.00 H new ATOM 418 N ILE A1095 2.802 3.207 6.756 1.00 0.00 N ATOM 419 CA ILE A1095 2.302 2.605 5.533 1.00 0.00 C ATOM 420 C ILE A1095 1.318 3.567 4.880 1.00 0.00 C ATOM 421 O ILE A1095 0.267 3.870 5.451 1.00 0.00 O ATOM 422 CB ILE A1095 1.600 1.255 5.807 1.00 0.00 C ATOM 423 CG1 ILE A1095 2.578 0.261 6.441 1.00 0.00 C ATOM 424 CG2 ILE A1095 1.011 0.679 4.524 1.00 0.00 C ATOM 425 CD1 ILE A1095 3.761 -0.080 5.558 1.00 0.00 C ATOM 0 H ILE A1095 2.216 3.042 7.574 1.00 0.00 H new ATOM 0 HA ILE A1095 3.147 2.412 4.872 1.00 0.00 H new ATOM 0 HB ILE A1095 0.783 1.433 6.507 1.00 0.00 H new ATOM 0 HG12 ILE A1095 2.945 0.675 7.380 1.00 0.00 H new ATOM 0 HG13 ILE A1095 2.042 -0.656 6.685 1.00 0.00 H new ATOM 0 HG21 ILE A1095 0.522 -0.271 4.742 1.00 0.00 H new ATOM 0 HG22 ILE A1095 0.281 1.377 4.113 1.00 0.00 H new ATOM 0 HG23 ILE A1095 1.808 0.519 3.798 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.408 -0.789 6.075 1.00 0.00 H new ATOM 0 HD12 ILE A1095 3.405 -0.525 4.629 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.322 0.828 5.335 1.00 0.00 H new ATOM 437 N VAL A1096 1.668 4.059 3.699 1.00 0.00 N ATOM 438 CA VAL A1096 0.849 5.048 3.011 1.00 0.00 C ATOM 439 C VAL A1096 -0.363 4.384 2.371 1.00 0.00 C ATOM 440 O VAL A1096 -0.229 3.517 1.507 1.00 0.00 O ATOM 441 CB VAL A1096 1.653 5.803 1.929 1.00 0.00 C ATOM 442 CG1 VAL A1096 0.846 6.962 1.363 1.00 0.00 C ATOM 443 CG2 VAL A1096 2.980 6.296 2.485 1.00 0.00 C ATOM 0 H VAL A1096 2.514 3.789 3.197 1.00 0.00 H new ATOM 0 HA VAL A1096 0.519 5.770 3.758 1.00 0.00 H new ATOM 0 HB VAL A1096 1.861 5.105 1.118 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.433 7.478 0.603 1.00 0.00 H new ATOM 0 HG12 VAL A1096 -0.072 6.582 0.915 1.00 0.00 H new ATOM 0 HG13 VAL A1096 0.598 7.658 2.164 1.00 0.00 H new ATOM 0 HG21 VAL A1096 3.528 6.824 1.705 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.796 6.972 3.320 1.00 0.00 H new ATOM 0 HG23 VAL A1096 3.569 5.446 2.829 1.00 0.00 H new ATOM 453 N THR A1097 -1.541 4.790 2.802 1.00 0.00 N ATOM 454 CA THR A1097 -2.772 4.236 2.284 1.00 0.00 C ATOM 455 C THR A1097 -3.352 5.130 1.189 1.00 0.00 C ATOM 456 O THR A1097 -4.133 4.671 0.349 1.00 0.00 O ATOM 457 CB THR A1097 -3.806 4.044 3.410 1.00 0.00 C ATOM 458 OG1 THR A1097 -3.960 5.264 4.146 1.00 0.00 O ATOM 459 CG2 THR A1097 -3.375 2.929 4.354 1.00 0.00 C ATOM 0 H THR A1097 -1.670 5.508 3.515 1.00 0.00 H new ATOM 0 HA THR A1097 -2.542 3.261 1.854 1.00 0.00 H new ATOM 0 HB THR A1097 -4.759 3.770 2.957 1.00 0.00 H new ATOM 0 HG1 THR A1097 -4.620 5.135 4.859 1.00 0.00 H new ATOM 0 HG21 THR A1097 -4.120 2.811 5.141 1.00 0.00 H new ATOM 0 HG22 THR A1097 -3.284 1.996 3.798 1.00 0.00 H new ATOM 0 HG23 THR A1097 -2.413 3.181 4.800 1.00 0.00 H new ATOM 467 N GLY A1098 -2.962 6.403 1.194 1.00 0.00 N ATOM 468 CA GLY A1098 -3.421 7.327 0.173 1.00 0.00 C ATOM 469 C GLY A1098 -2.689 8.656 0.214 1.00 0.00 C ATOM 470 O GLY A1098 -1.798 8.855 1.035 1.00 0.00 O ATOM 0 H GLY A1098 -2.336 6.810 1.888 1.00 0.00 H new ATOM 0 HA2 GLY A1098 -3.287 6.873 -0.809 1.00 0.00 H new ATOM 0 HA3 GLY A1098 -4.489 7.501 0.300 1.00 0.00 H new ATOM 474 N GLU A1099 -3.073 9.566 -0.670 1.00 0.00 N ATOM 475 CA GLU A1099 -2.470 10.890 -0.751 1.00 0.00 C ATOM 476 C GLU A1099 -3.572 11.937 -0.853 1.00 0.00 C ATOM 477 O GLU A1099 -4.566 11.729 -1.549 1.00 0.00 O ATOM 478 CB GLU A1099 -1.542 11.015 -1.971 1.00 0.00 C ATOM 479 CG GLU A1099 -0.327 10.094 -1.959 1.00 0.00 C ATOM 480 CD GLU A1099 -0.642 8.674 -2.391 1.00 0.00 C ATOM 481 OE1 GLU A1099 -1.431 8.498 -3.347 1.00 0.00 O ATOM 482 OE2 GLU A1099 -0.083 7.727 -1.800 1.00 0.00 O ATOM 0 H GLU A1099 -3.813 9.407 -1.353 1.00 0.00 H new ATOM 0 HA GLU A1099 -1.874 11.047 0.148 1.00 0.00 H new ATOM 0 HB2 GLU A1099 -2.122 10.813 -2.871 1.00 0.00 H new ATOM 0 HB3 GLU A1099 -1.196 12.046 -2.040 1.00 0.00 H new ATOM 0 HG2 GLU A1099 0.438 10.505 -2.618 1.00 0.00 H new ATOM 0 HG3 GLU A1099 0.095 10.075 -0.954 1.00 0.00 H new ATOM 489 N GLU A1100 -3.406 13.054 -0.161 1.00 0.00 N ATOM 490 CA GLU A1100 -4.419 14.110 -0.175 1.00 0.00 C ATOM 491 C GLU A1100 -3.804 15.394 -0.692 1.00 0.00 C ATOM 492 O GLU A1100 -4.387 16.103 -1.514 1.00 0.00 O ATOM 493 CB GLU A1100 -4.992 14.333 1.227 1.00 0.00 C ATOM 494 CG GLU A1100 -6.086 15.385 1.292 1.00 0.00 C ATOM 495 CD GLU A1100 -6.622 15.580 2.696 1.00 0.00 C ATOM 496 OE1 GLU A1100 -7.273 14.650 3.222 1.00 0.00 O ATOM 497 OE2 GLU A1100 -6.403 16.667 3.276 1.00 0.00 O ATOM 0 H GLU A1100 -2.588 13.256 0.414 1.00 0.00 H new ATOM 0 HA GLU A1100 -5.233 13.804 -0.832 1.00 0.00 H new ATOM 0 HB2 GLU A1100 -5.389 13.389 1.600 1.00 0.00 H new ATOM 0 HB3 GLU A1100 -4.183 14.625 1.896 1.00 0.00 H new ATOM 0 HG2 GLU A1100 -5.696 16.333 0.921 1.00 0.00 H new ATOM 0 HG3 GLU A1100 -6.903 15.096 0.632 1.00 0.00 H new ATOM 504 N ASP A1101 -2.615 15.670 -0.197 1.00 0.00 N ATOM 505 CA ASP A1101 -1.850 16.823 -0.609 1.00 0.00 C ATOM 506 C ASP A1101 -0.608 16.324 -1.333 1.00 0.00 C ATOM 507 O ASP A1101 -0.490 15.126 -1.601 1.00 0.00 O ATOM 508 CB ASP A1101 -1.466 17.635 0.634 1.00 0.00 C ATOM 509 CG ASP A1101 -1.051 19.059 0.345 1.00 0.00 C ATOM 510 OD1 ASP A1101 0.102 19.275 -0.093 1.00 0.00 O ATOM 511 OD2 ASP A1101 -1.868 19.964 0.591 1.00 0.00 O ATOM 0 H ASP A1101 -2.152 15.095 0.507 1.00 0.00 H new ATOM 0 HA ASP A1101 -2.427 17.465 -1.275 1.00 0.00 H new ATOM 0 HB2 ASP A1101 -2.313 17.648 1.320 1.00 0.00 H new ATOM 0 HB3 ASP A1101 -0.648 17.128 1.146 1.00 0.00 H new ATOM 516 N GLN A1102 0.315 17.205 -1.639 1.00 0.00 N ATOM 517 CA GLN A1102 1.585 16.786 -2.192 1.00 0.00 C ATOM 518 C GLN A1102 2.560 16.589 -1.043 1.00 0.00 C ATOM 519 O GLN A1102 3.446 15.733 -1.089 1.00 0.00 O ATOM 520 CB GLN A1102 2.117 17.818 -3.186 1.00 0.00 C ATOM 521 CG GLN A1102 2.600 19.104 -2.542 1.00 0.00 C ATOM 522 CD GLN A1102 3.113 20.115 -3.548 1.00 0.00 C ATOM 523 OE1 GLN A1102 3.604 19.755 -4.618 1.00 0.00 O ATOM 524 NE2 GLN A1102 3.013 21.388 -3.207 1.00 0.00 N ATOM 0 H GLN A1102 0.213 18.212 -1.516 1.00 0.00 H new ATOM 0 HA GLN A1102 1.460 15.851 -2.738 1.00 0.00 H new ATOM 0 HB2 GLN A1102 2.938 17.375 -3.749 1.00 0.00 H new ATOM 0 HB3 GLN A1102 1.331 18.056 -3.903 1.00 0.00 H new ATOM 0 HG2 GLN A1102 1.783 19.548 -1.974 1.00 0.00 H new ATOM 0 HG3 GLN A1102 3.393 18.872 -1.832 1.00 0.00 H new ATOM 0 HE21 GLN A1102 2.599 21.645 -2.311 1.00 0.00 H new ATOM 0 HE22 GLN A1102 3.349 22.114 -3.840 1.00 0.00 H new ATOM 533 N GLU A1103 2.356 17.383 0.000 1.00 0.00 N ATOM 534 CA GLU A1103 3.167 17.308 1.207 1.00 0.00 C ATOM 535 C GLU A1103 2.402 16.620 2.324 1.00 0.00 C ATOM 536 O GLU A1103 2.831 16.640 3.471 1.00 0.00 O ATOM 537 CB GLU A1103 3.572 18.709 1.673 1.00 0.00 C ATOM 538 CG GLU A1103 4.228 19.529 0.587 1.00 0.00 C ATOM 539 CD GLU A1103 4.633 20.915 1.047 1.00 0.00 C ATOM 540 OE1 GLU A1103 3.753 21.801 1.140 1.00 0.00 O ATOM 541 OE2 GLU A1103 5.836 21.138 1.297 1.00 0.00 O ATOM 0 H GLU A1103 1.626 18.095 0.033 1.00 0.00 H new ATOM 0 HA GLU A1103 4.061 16.731 0.970 1.00 0.00 H new ATOM 0 HB2 GLU A1103 2.688 19.235 2.033 1.00 0.00 H new ATOM 0 HB3 GLU A1103 4.256 18.621 2.517 1.00 0.00 H new ATOM 0 HG2 GLU A1103 5.110 19.001 0.225 1.00 0.00 H new ATOM 0 HG3 GLU A1103 3.542 19.619 -0.256 1.00 0.00 H new ATOM 548 N TRP A1104 1.259 16.036 2.000 1.00 0.00 N ATOM 549 CA TRP A1104 0.433 15.391 3.013 1.00 0.00 C ATOM 550 C TRP A1104 -0.199 14.119 2.490 1.00 0.00 C ATOM 551 O TRP A1104 -1.083 14.144 1.621 1.00 0.00 O ATOM 552 CB TRP A1104 -0.647 16.338 3.514 1.00 0.00 C ATOM 553 CG TRP A1104 -0.095 17.503 4.260 1.00 0.00 C ATOM 554 CD1 TRP A1104 0.380 18.665 3.730 1.00 0.00 C ATOM 555 CD2 TRP A1104 0.038 17.616 5.675 1.00 0.00 C ATOM 556 NE1 TRP A1104 0.794 19.497 4.733 1.00 0.00 N ATOM 557 CE2 TRP A1104 0.591 18.879 5.939 1.00 0.00 C ATOM 558 CE3 TRP A1104 -0.267 16.772 6.741 1.00 0.00 C ATOM 559 CZ2 TRP A1104 0.843 19.319 7.232 1.00 0.00 C ATOM 560 CZ3 TRP A1104 -0.016 17.203 8.023 1.00 0.00 C ATOM 561 CH2 TRP A1104 0.535 18.469 8.263 1.00 0.00 C ATOM 0 H TRP A1104 0.883 15.994 1.053 1.00 0.00 H new ATOM 0 HA TRP A1104 1.088 15.129 3.844 1.00 0.00 H new ATOM 0 HB2 TRP A1104 -1.229 16.699 2.666 1.00 0.00 H new ATOM 0 HB3 TRP A1104 -1.332 15.790 4.161 1.00 0.00 H new ATOM 0 HD1 TRP A1104 0.423 18.894 2.676 1.00 0.00 H new ATOM 0 HE1 TRP A1104 1.190 20.428 4.604 1.00 0.00 H new ATOM 0 HE3 TRP A1104 -0.693 15.796 6.564 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 1.266 20.295 7.419 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 -0.247 16.556 8.857 1.00 0.00 H new ATOM 0 HH2 TRP A1104 0.721 18.781 9.280 1.00 0.00 H new ATOM 572 N TRP A1105 0.255 13.007 3.024 1.00 0.00 N ATOM 573 CA TRP A1105 -0.250 11.714 2.614 1.00 0.00 C ATOM 574 C TRP A1105 -0.962 11.061 3.786 1.00 0.00 C ATOM 575 O TRP A1105 -0.787 11.474 4.934 1.00 0.00 O ATOM 576 CB TRP A1105 0.894 10.832 2.094 1.00 0.00 C ATOM 577 CG TRP A1105 1.574 11.387 0.868 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.283 12.558 0.227 1.00 0.00 C ATOM 579 CD2 TRP A1105 2.654 10.796 0.141 1.00 0.00 C ATOM 580 NE1 TRP A1105 2.122 12.742 -0.840 1.00 0.00 N ATOM 581 CE2 TRP A1105 2.970 11.668 -0.923 1.00 0.00 C ATOM 582 CE3 TRP A1105 3.386 9.615 0.283 1.00 0.00 C ATOM 583 CZ2 TRP A1105 3.988 11.394 -1.830 1.00 0.00 C ATOM 584 CZ3 TRP A1105 4.395 9.346 -0.619 1.00 0.00 C ATOM 585 CH2 TRP A1105 4.687 10.231 -1.666 1.00 0.00 C ATOM 0 H TRP A1105 0.975 12.971 3.745 1.00 0.00 H new ATOM 0 HA TRP A1105 -0.962 11.841 1.798 1.00 0.00 H new ATOM 0 HB2 TRP A1105 1.634 10.707 2.885 1.00 0.00 H new ATOM 0 HB3 TRP A1105 0.502 9.841 1.865 1.00 0.00 H new ATOM 0 HD1 TRP A1105 0.501 13.243 0.520 1.00 0.00 H new ATOM 0 HE1 TRP A1105 2.117 13.545 -1.469 1.00 0.00 H new ATOM 0 HE3 TRP A1105 3.166 8.925 1.084 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 4.218 12.076 -2.635 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 4.970 8.438 -0.516 1.00 0.00 H new ATOM 0 HH2 TRP A1105 5.481 9.989 -2.357 1.00 0.00 H new ATOM 596 N ILE A1106 -1.761 10.055 3.501 1.00 0.00 N ATOM 597 CA ILE A1106 -2.569 9.418 4.523 1.00 0.00 C ATOM 598 C ILE A1106 -2.100 7.998 4.708 1.00 0.00 C ATOM 599 O ILE A1106 -1.745 7.328 3.741 1.00 0.00 O ATOM 600 CB ILE A1106 -4.075 9.368 4.163 1.00 0.00 C ATOM 601 CG1 ILE A1106 -4.586 10.718 3.667 1.00 0.00 C ATOM 602 CG2 ILE A1106 -4.898 8.912 5.361 1.00 0.00 C ATOM 603 CD1 ILE A1106 -4.304 10.965 2.211 1.00 0.00 C ATOM 0 H ILE A1106 -1.870 9.659 2.568 1.00 0.00 H new ATOM 0 HA ILE A1106 -2.454 10.013 5.429 1.00 0.00 H new ATOM 0 HB ILE A1106 -4.188 8.647 3.353 1.00 0.00 H new ATOM 0 HG12 ILE A1106 -5.661 10.775 3.836 1.00 0.00 H new ATOM 0 HG13 ILE A1106 -4.128 11.511 4.258 1.00 0.00 H new ATOM 0 HG21 ILE A1106 -5.953 8.883 5.088 1.00 0.00 H new ATOM 0 HG22 ILE A1106 -4.575 7.917 5.667 1.00 0.00 H new ATOM 0 HG23 ILE A1106 -4.756 9.609 6.187 1.00 0.00 H new ATOM 0 HD11 ILE A1106 -4.694 11.942 1.925 1.00 0.00 H new ATOM 0 HD12 ILE A1106 -3.228 10.940 2.039 1.00 0.00 H new ATOM 0 HD13 ILE A1106 -4.785 10.193 1.611 1.00 0.00 H new ATOM 615 N GLY A1107 -2.073 7.548 5.940 1.00 0.00 N ATOM 616 CA GLY A1107 -1.722 6.181 6.190 1.00 0.00 C ATOM 617 C GLY A1107 -1.796 5.844 7.647 1.00 0.00 C ATOM 618 O GLY A1107 -2.454 6.538 8.419 1.00 0.00 O ATOM 0 H GLY A1107 -2.287 8.102 6.769 1.00 0.00 H new ATOM 0 HA2 GLY A1107 -2.391 5.526 5.631 1.00 0.00 H new ATOM 0 HA3 GLY A1107 -0.713 5.992 5.824 1.00 0.00 H new ATOM 622 N HIS A1108 -1.105 4.793 8.023 1.00 0.00 N ATOM 623 CA HIS A1108 -1.084 4.344 9.400 1.00 0.00 C ATOM 624 C HIS A1108 0.287 3.796 9.724 1.00 0.00 C ATOM 625 O HIS A1108 0.996 3.332 8.830 1.00 0.00 O ATOM 626 CB HIS A1108 -2.168 3.281 9.658 1.00 0.00 C ATOM 627 CG HIS A1108 -2.030 2.017 8.854 1.00 0.00 C ATOM 628 ND1 HIS A1108 -2.921 1.650 7.870 1.00 0.00 N ATOM 629 CD2 HIS A1108 -1.128 1.011 8.929 1.00 0.00 C ATOM 630 CE1 HIS A1108 -2.571 0.475 7.378 1.00 0.00 C ATOM 631 NE2 HIS A1108 -1.486 0.063 8.007 1.00 0.00 N ATOM 0 H HIS A1108 -0.543 4.226 7.388 1.00 0.00 H new ATOM 0 HA HIS A1108 -1.299 5.192 10.050 1.00 0.00 H new ATOM 0 HB2 HIS A1108 -2.156 3.022 10.717 1.00 0.00 H new ATOM 0 HB3 HIS A1108 -3.143 3.721 9.449 1.00 0.00 H new ATOM 0 HD2 HIS A1108 -0.279 0.964 9.595 1.00 0.00 H new ATOM 0 HE1 HIS A1108 -3.086 -0.059 6.593 1.00 0.00 H new ATOM 0 HE2 HIS A1108 -0.996 -0.815 7.835 1.00 0.00 H new ATOM 640 N ILE A1109 0.667 3.857 10.987 1.00 0.00 N ATOM 641 CA ILE A1109 1.960 3.346 11.402 1.00 0.00 C ATOM 642 C ILE A1109 2.050 1.852 11.114 1.00 0.00 C ATOM 643 O ILE A1109 1.071 1.125 11.287 1.00 0.00 O ATOM 644 CB ILE A1109 2.237 3.609 12.899 1.00 0.00 C ATOM 645 CG1 ILE A1109 2.175 5.109 13.213 1.00 0.00 C ATOM 646 CG2 ILE A1109 3.589 3.045 13.299 1.00 0.00 C ATOM 647 CD1 ILE A1109 2.972 5.977 12.263 1.00 0.00 C ATOM 0 H ILE A1109 0.103 4.253 11.739 1.00 0.00 H new ATOM 0 HA ILE A1109 2.719 3.878 10.828 1.00 0.00 H new ATOM 0 HB ILE A1109 1.463 3.105 13.477 1.00 0.00 H new ATOM 0 HG12 ILE A1109 1.133 5.430 13.193 1.00 0.00 H new ATOM 0 HG13 ILE A1109 2.539 5.271 14.227 1.00 0.00 H new ATOM 0 HG21 ILE A1109 3.766 3.240 14.357 1.00 0.00 H new ATOM 0 HG22 ILE A1109 3.602 1.970 13.121 1.00 0.00 H new ATOM 0 HG23 ILE A1109 4.371 3.520 12.707 1.00 0.00 H new ATOM 0 HD11 ILE A1109 2.874 7.022 12.556 1.00 0.00 H new ATOM 0 HD12 ILE A1109 4.022 5.687 12.299 1.00 0.00 H new ATOM 0 HD13 ILE A1109 2.595 5.848 11.249 1.00 0.00 H new ATOM 659 N GLU A1110 3.206 1.409 10.652 1.00 0.00 N ATOM 660 CA GLU A1110 3.397 0.023 10.259 1.00 0.00 C ATOM 661 C GLU A1110 3.152 -0.925 11.434 1.00 0.00 C ATOM 662 O GLU A1110 2.287 -1.804 11.363 1.00 0.00 O ATOM 663 CB GLU A1110 4.807 -0.157 9.701 1.00 0.00 C ATOM 664 CG GLU A1110 5.067 -1.529 9.111 1.00 0.00 C ATOM 665 CD GLU A1110 6.367 -1.577 8.344 1.00 0.00 C ATOM 666 OE1 GLU A1110 7.433 -1.737 8.973 1.00 0.00 O ATOM 667 OE2 GLU A1110 6.330 -1.446 7.107 1.00 0.00 O ATOM 0 H GLU A1110 4.034 1.994 10.539 1.00 0.00 H new ATOM 0 HA GLU A1110 2.671 -0.225 9.485 1.00 0.00 H new ATOM 0 HB2 GLU A1110 4.981 0.596 8.933 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.528 0.027 10.497 1.00 0.00 H new ATOM 0 HG2 GLU A1110 5.090 -2.269 9.911 1.00 0.00 H new ATOM 0 HG3 GLU A1110 4.245 -1.801 8.449 1.00 0.00 H new ATOM 674 N GLY A1111 3.901 -0.729 12.517 1.00 0.00 N ATOM 675 CA GLY A1111 3.764 -1.579 13.688 1.00 0.00 C ATOM 676 C GLY A1111 2.492 -1.308 14.469 1.00 0.00 C ATOM 677 O GLY A1111 1.986 -2.190 15.168 1.00 0.00 O ATOM 0 H GLY A1111 4.603 0.006 12.604 1.00 0.00 H new ATOM 0 HA2 GLY A1111 3.777 -2.623 13.376 1.00 0.00 H new ATOM 0 HA3 GLY A1111 4.624 -1.430 14.341 1.00 0.00 H new ATOM 681 N GLN A1112 1.977 -0.090 14.361 1.00 0.00 N ATOM 682 CA GLN A1112 0.736 0.281 15.032 1.00 0.00 C ATOM 683 C GLN A1112 -0.307 0.719 14.006 1.00 0.00 C ATOM 684 O GLN A1112 -0.474 1.912 13.749 1.00 0.00 O ATOM 685 CB GLN A1112 0.968 1.402 16.057 1.00 0.00 C ATOM 686 CG GLN A1112 1.798 0.982 17.263 1.00 0.00 C ATOM 687 CD GLN A1112 3.295 1.122 17.049 1.00 0.00 C ATOM 688 OE1 GLN A1112 4.084 0.338 17.578 1.00 0.00 O ATOM 689 NE2 GLN A1112 3.704 2.141 16.309 1.00 0.00 N ATOM 0 H GLN A1112 2.400 0.660 13.814 1.00 0.00 H new ATOM 0 HA GLN A1112 0.369 -0.595 15.566 1.00 0.00 H new ATOM 0 HB2 GLN A1112 1.464 2.236 15.561 1.00 0.00 H new ATOM 0 HB3 GLN A1112 0.002 1.767 16.404 1.00 0.00 H new ATOM 0 HG2 GLN A1112 1.504 1.584 18.123 1.00 0.00 H new ATOM 0 HG3 GLN A1112 1.570 -0.055 17.507 1.00 0.00 H new ATOM 0 HE21 GLN A1112 3.022 2.770 15.886 1.00 0.00 H new ATOM 0 HE22 GLN A1112 4.701 2.297 16.162 1.00 0.00 H new ATOM 698 N PRO A1113 -1.033 -0.249 13.418 1.00 0.00 N ATOM 699 CA PRO A1113 -1.972 0.005 12.316 1.00 0.00 C ATOM 700 C PRO A1113 -3.175 0.847 12.733 1.00 0.00 C ATOM 701 O PRO A1113 -3.839 1.453 11.890 1.00 0.00 O ATOM 702 CB PRO A1113 -2.433 -1.397 11.894 1.00 0.00 C ATOM 703 CG PRO A1113 -1.457 -2.340 12.512 1.00 0.00 C ATOM 704 CD PRO A1113 -0.993 -1.675 13.773 1.00 0.00 C ATOM 0 HA PRO A1113 -1.493 0.574 11.519 1.00 0.00 H new ATOM 0 HB2 PRO A1113 -3.447 -1.598 12.241 1.00 0.00 H new ATOM 0 HB3 PRO A1113 -2.442 -1.497 10.809 1.00 0.00 H new ATOM 0 HG2 PRO A1113 -1.923 -3.302 12.725 1.00 0.00 H new ATOM 0 HG3 PRO A1113 -0.620 -2.533 11.841 1.00 0.00 H new ATOM 0 HD2 PRO A1113 -1.647 -1.901 14.615 1.00 0.00 H new ATOM 0 HD3 PRO A1113 0.010 -1.995 14.054 1.00 0.00 H new ATOM 712 N GLU A1114 -3.444 0.888 14.028 1.00 0.00 N ATOM 713 CA GLU A1114 -4.588 1.624 14.552 1.00 0.00 C ATOM 714 C GLU A1114 -4.277 3.116 14.627 1.00 0.00 C ATOM 715 O GLU A1114 -5.176 3.943 14.777 1.00 0.00 O ATOM 716 CB GLU A1114 -4.962 1.083 15.930 1.00 0.00 C ATOM 717 CG GLU A1114 -6.289 1.603 16.462 1.00 0.00 C ATOM 718 CD GLU A1114 -6.642 1.006 17.804 1.00 0.00 C ATOM 719 OE1 GLU A1114 -7.230 -0.096 17.834 1.00 0.00 O ATOM 720 OE2 GLU A1114 -6.328 1.629 18.835 1.00 0.00 O ATOM 0 H GLU A1114 -2.884 0.419 14.740 1.00 0.00 H new ATOM 0 HA GLU A1114 -5.434 1.489 13.878 1.00 0.00 H new ATOM 0 HB2 GLU A1114 -5.003 -0.005 15.882 1.00 0.00 H new ATOM 0 HB3 GLU A1114 -4.173 1.342 16.636 1.00 0.00 H new ATOM 0 HG2 GLU A1114 -6.242 2.688 16.551 1.00 0.00 H new ATOM 0 HG3 GLU A1114 -7.079 1.375 15.746 1.00 0.00 H new ATOM 727 N ARG A1115 -3.001 3.456 14.513 1.00 0.00 N ATOM 728 CA ARG A1115 -2.582 4.848 14.514 1.00 0.00 C ATOM 729 C ARG A1115 -2.480 5.357 13.089 1.00 0.00 C ATOM 730 O ARG A1115 -1.457 5.183 12.422 1.00 0.00 O ATOM 731 CB ARG A1115 -1.249 5.008 15.242 1.00 0.00 C ATOM 732 CG ARG A1115 -1.294 4.500 16.668 1.00 0.00 C ATOM 733 CD ARG A1115 0.023 4.716 17.388 1.00 0.00 C ATOM 734 NE ARG A1115 0.036 4.058 18.691 1.00 0.00 N ATOM 735 CZ ARG A1115 0.657 4.536 19.765 1.00 0.00 C ATOM 736 NH1 ARG A1115 1.343 5.670 19.691 1.00 0.00 N ATOM 737 NH2 ARG A1115 0.593 3.872 20.912 1.00 0.00 N ATOM 0 H ARG A1115 -2.238 2.785 14.419 1.00 0.00 H new ATOM 0 HA ARG A1115 -3.328 5.440 15.045 1.00 0.00 H new ATOM 0 HB2 ARG A1115 -0.474 4.471 14.694 1.00 0.00 H new ATOM 0 HB3 ARG A1115 -0.966 6.061 15.245 1.00 0.00 H new ATOM 0 HG2 ARG A1115 -2.091 5.009 17.210 1.00 0.00 H new ATOM 0 HG3 ARG A1115 -1.537 3.437 16.667 1.00 0.00 H new ATOM 0 HD2 ARG A1115 0.840 4.332 16.777 1.00 0.00 H new ATOM 0 HD3 ARG A1115 0.197 5.784 17.517 1.00 0.00 H new ATOM 0 HE ARG A1115 -0.464 3.174 18.784 1.00 0.00 H new ATOM 0 HH11 ARG A1115 1.395 6.178 18.808 1.00 0.00 H new ATOM 0 HH12 ARG A1115 1.818 6.034 20.517 1.00 0.00 H new ATOM 0 HH21 ARG A1115 0.069 2.999 20.967 1.00 0.00 H new ATOM 0 HH22 ARG A1115 1.068 4.235 21.739 1.00 0.00 H new ATOM 751 N LYS A1116 -3.560 5.958 12.624 1.00 0.00 N ATOM 752 CA LYS A1116 -3.640 6.463 11.266 1.00 0.00 C ATOM 753 C LYS A1116 -3.928 7.957 11.271 1.00 0.00 C ATOM 754 O LYS A1116 -4.296 8.530 12.299 1.00 0.00 O ATOM 755 CB LYS A1116 -4.728 5.728 10.472 1.00 0.00 C ATOM 756 CG LYS A1116 -6.100 5.780 11.126 1.00 0.00 C ATOM 757 CD LYS A1116 -6.427 4.486 11.847 1.00 0.00 C ATOM 758 CE LYS A1116 -6.681 3.354 10.864 1.00 0.00 C ATOM 759 NZ LYS A1116 -7.810 3.672 9.951 1.00 0.00 N ATOM 0 H LYS A1116 -4.404 6.109 13.176 1.00 0.00 H new ATOM 0 HA LYS A1116 -2.678 6.286 10.785 1.00 0.00 H new ATOM 0 HB2 LYS A1116 -4.794 6.162 9.474 1.00 0.00 H new ATOM 0 HB3 LYS A1116 -4.434 4.686 10.347 1.00 0.00 H new ATOM 0 HG2 LYS A1116 -6.135 6.609 11.833 1.00 0.00 H new ATOM 0 HG3 LYS A1116 -6.858 5.975 10.367 1.00 0.00 H new ATOM 0 HD2 LYS A1116 -5.603 4.218 12.509 1.00 0.00 H new ATOM 0 HD3 LYS A1116 -7.306 4.629 12.475 1.00 0.00 H new ATOM 0 HE2 LYS A1116 -5.780 3.168 10.280 1.00 0.00 H new ATOM 0 HE3 LYS A1116 -6.901 2.437 11.411 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 -8.212 2.789 9.576 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 -8.543 4.192 10.474 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 -7.465 4.258 9.164 1.00 0.00 H new ATOM 773 N GLY A1117 -3.756 8.573 10.118 1.00 0.00 N ATOM 774 CA GLY A1117 -3.970 9.996 9.990 1.00 0.00 C ATOM 775 C GLY A1117 -3.248 10.556 8.791 1.00 0.00 C ATOM 776 O GLY A1117 -2.696 9.800 7.981 1.00 0.00 O ATOM 0 H GLY A1117 -3.468 8.108 9.257 1.00 0.00 H new ATOM 0 HA2 GLY A1117 -5.037 10.198 9.901 1.00 0.00 H new ATOM 0 HA3 GLY A1117 -3.624 10.500 10.893 1.00 0.00 H new ATOM 780 N VAL A1118 -3.247 11.871 8.668 1.00 0.00 N ATOM 781 CA VAL A1118 -2.550 12.519 7.575 1.00 0.00 C ATOM 782 C VAL A1118 -1.224 13.090 8.063 1.00 0.00 C ATOM 783 O VAL A1118 -1.186 13.975 8.920 1.00 0.00 O ATOM 784 CB VAL A1118 -3.392 13.638 6.932 1.00 0.00 C ATOM 785 CG1 VAL A1118 -2.731 14.130 5.656 1.00 0.00 C ATOM 786 CG2 VAL A1118 -4.806 13.153 6.650 1.00 0.00 C ATOM 0 H VAL A1118 -3.719 12.508 9.309 1.00 0.00 H new ATOM 0 HA VAL A1118 -2.368 11.761 6.813 1.00 0.00 H new ATOM 0 HB VAL A1118 -3.452 14.470 7.634 1.00 0.00 H new ATOM 0 HG11 VAL A1118 -3.337 14.920 5.213 1.00 0.00 H new ATOM 0 HG12 VAL A1118 -1.740 14.520 5.887 1.00 0.00 H new ATOM 0 HG13 VAL A1118 -2.641 13.304 4.951 1.00 0.00 H new ATOM 0 HG21 VAL A1118 -5.383 13.959 6.196 1.00 0.00 H new ATOM 0 HG22 VAL A1118 -4.770 12.304 5.968 1.00 0.00 H new ATOM 0 HG23 VAL A1118 -5.279 12.849 7.584 1.00 0.00 H new ATOM 796 N PHE A1119 -0.142 12.560 7.522 1.00 0.00 N ATOM 797 CA PHE A1119 1.202 12.944 7.923 1.00 0.00 C ATOM 798 C PHE A1119 1.876 13.818 6.866 1.00 0.00 C ATOM 799 O PHE A1119 1.719 13.589 5.662 1.00 0.00 O ATOM 800 CB PHE A1119 2.048 11.695 8.195 1.00 0.00 C ATOM 801 CG PHE A1119 1.948 10.626 7.141 1.00 0.00 C ATOM 802 CD1 PHE A1119 0.940 9.679 7.200 1.00 0.00 C ATOM 803 CD2 PHE A1119 2.866 10.558 6.105 1.00 0.00 C ATOM 804 CE1 PHE A1119 0.845 8.689 6.245 1.00 0.00 C ATOM 805 CE2 PHE A1119 2.777 9.565 5.147 1.00 0.00 C ATOM 806 CZ PHE A1119 1.762 8.628 5.219 1.00 0.00 C ATOM 0 H PHE A1119 -0.169 11.850 6.791 1.00 0.00 H new ATOM 0 HA PHE A1119 1.122 13.531 8.838 1.00 0.00 H new ATOM 0 HB2 PHE A1119 3.092 11.994 8.292 1.00 0.00 H new ATOM 0 HB3 PHE A1119 1.747 11.271 9.153 1.00 0.00 H new ATOM 0 HD1 PHE A1119 0.219 9.716 8.004 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.659 11.288 6.045 1.00 0.00 H new ATOM 0 HE1 PHE A1119 0.050 7.960 6.302 1.00 0.00 H new ATOM 0 HE2 PHE A1119 3.498 9.521 4.344 1.00 0.00 H new ATOM 0 HZ PHE A1119 1.689 7.851 4.473 1.00 0.00 H new ATOM 816 N PRO A1120 2.611 14.852 7.310 1.00 0.00 N ATOM 817 CA PRO A1120 3.364 15.719 6.414 1.00 0.00 C ATOM 818 C PRO A1120 4.602 15.039 5.840 1.00 0.00 C ATOM 819 O PRO A1120 5.482 14.580 6.573 1.00 0.00 O ATOM 820 CB PRO A1120 3.772 16.900 7.295 1.00 0.00 C ATOM 821 CG PRO A1120 3.758 16.374 8.688 1.00 0.00 C ATOM 822 CD PRO A1120 2.734 15.269 8.719 1.00 0.00 C ATOM 0 HA PRO A1120 2.767 16.005 5.548 1.00 0.00 H new ATOM 0 HB2 PRO A1120 4.761 17.270 7.024 1.00 0.00 H new ATOM 0 HB3 PRO A1120 3.078 17.733 7.182 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.742 15.999 8.971 1.00 0.00 H new ATOM 0 HG3 PRO A1120 3.501 17.161 9.397 1.00 0.00 H new ATOM 0 HD2 PRO A1120 3.058 14.443 9.352 1.00 0.00 H new ATOM 0 HD3 PRO A1120 1.781 15.620 9.115 1.00 0.00 H new ATOM 830 N VAL A1121 4.657 15.010 4.520 1.00 0.00 N ATOM 831 CA VAL A1121 5.784 14.480 3.771 1.00 0.00 C ATOM 832 C VAL A1121 7.064 15.259 4.100 1.00 0.00 C ATOM 833 O VAL A1121 8.178 14.772 3.909 1.00 0.00 O ATOM 834 CB VAL A1121 5.471 14.546 2.258 1.00 0.00 C ATOM 835 CG1 VAL A1121 6.675 14.200 1.400 1.00 0.00 C ATOM 836 CG2 VAL A1121 4.299 13.630 1.926 1.00 0.00 C ATOM 0 H VAL A1121 3.905 15.361 3.927 1.00 0.00 H new ATOM 0 HA VAL A1121 5.947 13.440 4.053 1.00 0.00 H new ATOM 0 HB VAL A1121 5.203 15.577 2.027 1.00 0.00 H new ATOM 0 HG11 VAL A1121 6.401 14.261 0.347 1.00 0.00 H new ATOM 0 HG12 VAL A1121 7.483 14.902 1.606 1.00 0.00 H new ATOM 0 HG13 VAL A1121 7.007 13.188 1.630 1.00 0.00 H new ATOM 0 HG21 VAL A1121 4.086 13.684 0.858 1.00 0.00 H new ATOM 0 HG22 VAL A1121 4.551 12.604 2.195 1.00 0.00 H new ATOM 0 HG23 VAL A1121 3.420 13.946 2.487 1.00 0.00 H new ATOM 846 N SER A1122 6.883 16.464 4.628 1.00 0.00 N ATOM 847 CA SER A1122 7.991 17.318 5.034 1.00 0.00 C ATOM 848 C SER A1122 8.851 16.657 6.111 1.00 0.00 C ATOM 849 O SER A1122 10.046 16.932 6.222 1.00 0.00 O ATOM 850 CB SER A1122 7.440 18.646 5.553 1.00 0.00 C ATOM 851 OG SER A1122 6.425 19.135 4.697 1.00 0.00 O ATOM 0 H SER A1122 5.963 16.876 4.786 1.00 0.00 H new ATOM 0 HA SER A1122 8.626 17.488 4.164 1.00 0.00 H new ATOM 0 HB2 SER A1122 7.041 18.512 6.559 1.00 0.00 H new ATOM 0 HB3 SER A1122 8.246 19.377 5.624 1.00 0.00 H new ATOM 0 HG SER A1122 6.084 19.985 5.046 1.00 0.00 H new ATOM 857 N PHE A1123 8.245 15.776 6.894 1.00 0.00 N ATOM 858 CA PHE A1123 8.925 15.187 8.038 1.00 0.00 C ATOM 859 C PHE A1123 9.213 13.706 7.802 1.00 0.00 C ATOM 860 O PHE A1123 9.735 13.015 8.683 1.00 0.00 O ATOM 861 CB PHE A1123 8.080 15.347 9.304 1.00 0.00 C ATOM 862 CG PHE A1123 7.816 16.771 9.736 1.00 0.00 C ATOM 863 CD1 PHE A1123 7.396 17.736 8.837 1.00 0.00 C ATOM 864 CD2 PHE A1123 7.937 17.119 11.067 1.00 0.00 C ATOM 865 CE1 PHE A1123 7.105 19.013 9.250 1.00 0.00 C ATOM 866 CE2 PHE A1123 7.657 18.401 11.494 1.00 0.00 C ATOM 867 CZ PHE A1123 7.234 19.354 10.578 1.00 0.00 C ATOM 0 H PHE A1123 7.287 15.454 6.759 1.00 0.00 H new ATOM 0 HA PHE A1123 9.872 15.712 8.167 1.00 0.00 H new ATOM 0 HB2 PHE A1123 7.123 14.851 9.146 1.00 0.00 H new ATOM 0 HB3 PHE A1123 8.578 14.825 10.121 1.00 0.00 H new ATOM 0 HD1 PHE A1123 7.295 17.480 7.793 1.00 0.00 H new ATOM 0 HD2 PHE A1123 8.255 16.377 11.784 1.00 0.00 H new ATOM 0 HE1 PHE A1123 6.775 19.750 8.533 1.00 0.00 H new ATOM 0 HE2 PHE A1123 7.767 18.662 12.536 1.00 0.00 H new ATOM 0 HZ PHE A1123 7.007 20.358 10.905 1.00 0.00 H new ATOM 877 N VAL A1124 8.883 13.218 6.616 1.00 0.00 N ATOM 878 CA VAL A1124 9.071 11.806 6.308 1.00 0.00 C ATOM 879 C VAL A1124 9.827 11.613 5.002 1.00 0.00 C ATOM 880 O VAL A1124 10.031 12.559 4.239 1.00 0.00 O ATOM 881 CB VAL A1124 7.731 11.036 6.234 1.00 0.00 C ATOM 882 CG1 VAL A1124 7.119 10.872 7.612 1.00 0.00 C ATOM 883 CG2 VAL A1124 6.746 11.733 5.312 1.00 0.00 C ATOM 0 H VAL A1124 8.487 13.772 5.856 1.00 0.00 H new ATOM 0 HA VAL A1124 9.660 11.399 7.130 1.00 0.00 H new ATOM 0 HB VAL A1124 7.948 10.048 5.827 1.00 0.00 H new ATOM 0 HG11 VAL A1124 6.178 10.327 7.530 1.00 0.00 H new ATOM 0 HG12 VAL A1124 7.805 10.316 8.251 1.00 0.00 H new ATOM 0 HG13 VAL A1124 6.933 11.854 8.047 1.00 0.00 H new ATOM 0 HG21 VAL A1124 5.814 11.168 5.281 1.00 0.00 H new ATOM 0 HG22 VAL A1124 6.548 12.738 5.684 1.00 0.00 H new ATOM 0 HG23 VAL A1124 7.167 11.794 4.309 1.00 0.00 H new ATOM 893 N HIS A1125 10.247 10.383 4.763 1.00 0.00 N ATOM 894 CA HIS A1125 11.012 10.038 3.578 1.00 0.00 C ATOM 895 C HIS A1125 10.365 8.831 2.903 1.00 0.00 C ATOM 896 O HIS A1125 9.938 7.893 3.580 1.00 0.00 O ATOM 897 CB HIS A1125 12.454 9.732 3.982 1.00 0.00 C ATOM 898 CG HIS A1125 13.461 9.902 2.886 1.00 0.00 C ATOM 899 ND1 HIS A1125 13.790 11.127 2.351 1.00 0.00 N ATOM 900 CD2 HIS A1125 14.228 8.996 2.243 1.00 0.00 C ATOM 901 CE1 HIS A1125 14.717 10.967 1.426 1.00 0.00 C ATOM 902 NE2 HIS A1125 15.000 9.684 1.341 1.00 0.00 N ATOM 0 H HIS A1125 10.067 9.595 5.385 1.00 0.00 H new ATOM 0 HA HIS A1125 11.020 10.870 2.873 1.00 0.00 H new ATOM 0 HB2 HIS A1125 12.729 10.381 4.814 1.00 0.00 H new ATOM 0 HB3 HIS A1125 12.505 8.706 4.347 1.00 0.00 H new ATOM 0 HD2 HIS A1125 14.233 7.929 2.408 1.00 0.00 H new ATOM 0 HE1 HIS A1125 15.167 11.754 0.839 1.00 0.00 H new ATOM 0 HE2 HIS A1125 15.683 9.269 0.707 1.00 0.00 H new ATOM 911 N ILE A1126 10.280 8.859 1.581 1.00 0.00 N ATOM 912 CA ILE A1126 9.545 7.835 0.844 1.00 0.00 C ATOM 913 C ILE A1126 10.384 6.577 0.636 1.00 0.00 C ATOM 914 O ILE A1126 11.485 6.620 0.075 1.00 0.00 O ATOM 915 CB ILE A1126 9.015 8.366 -0.520 1.00 0.00 C ATOM 916 CG1 ILE A1126 7.726 9.179 -0.329 1.00 0.00 C ATOM 917 CG2 ILE A1126 8.760 7.223 -1.496 1.00 0.00 C ATOM 918 CD1 ILE A1126 7.896 10.476 0.436 1.00 0.00 C ATOM 0 H ILE A1126 10.709 9.576 0.996 1.00 0.00 H new ATOM 0 HA ILE A1126 8.684 7.571 1.458 1.00 0.00 H new ATOM 0 HB ILE A1126 9.785 9.015 -0.937 1.00 0.00 H new ATOM 0 HG12 ILE A1126 7.308 9.405 -1.310 1.00 0.00 H new ATOM 0 HG13 ILE A1126 6.997 8.559 0.193 1.00 0.00 H new ATOM 0 HG21 ILE A1126 8.391 7.626 -2.439 1.00 0.00 H new ATOM 0 HG22 ILE A1126 9.689 6.681 -1.672 1.00 0.00 H new ATOM 0 HG23 ILE A1126 8.018 6.544 -1.076 1.00 0.00 H new ATOM 0 HD11 ILE A1126 6.932 10.978 0.519 1.00 0.00 H new ATOM 0 HD12 ILE A1126 8.281 10.263 1.433 1.00 0.00 H new ATOM 0 HD13 ILE A1126 8.597 11.121 -0.093 1.00 0.00 H new ATOM 930 N LEU A1127 9.849 5.456 1.102 1.00 0.00 N ATOM 931 CA LEU A1127 10.508 4.171 0.970 1.00 0.00 C ATOM 932 C LEU A1127 9.738 3.264 0.034 1.00 0.00 C ATOM 933 O LEU A1127 8.859 2.499 0.441 1.00 0.00 O ATOM 934 CB LEU A1127 10.675 3.500 2.325 1.00 0.00 C ATOM 935 CG LEU A1127 11.962 3.850 3.063 1.00 0.00 C ATOM 936 CD1 LEU A1127 11.976 5.303 3.506 1.00 0.00 C ATOM 937 CD2 LEU A1127 12.123 2.931 4.245 1.00 0.00 C ATOM 0 H LEU A1127 8.949 5.416 1.580 1.00 0.00 H new ATOM 0 HA LEU A1127 11.497 4.350 0.549 1.00 0.00 H new ATOM 0 HB2 LEU A1127 9.828 3.771 2.955 1.00 0.00 H new ATOM 0 HB3 LEU A1127 10.636 2.420 2.186 1.00 0.00 H new ATOM 0 HG LEU A1127 12.801 3.716 2.380 1.00 0.00 H new ATOM 0 HD11 LEU A1127 12.909 5.515 4.028 1.00 0.00 H new ATOM 0 HD12 LEU A1127 11.894 5.950 2.633 1.00 0.00 H new ATOM 0 HD13 LEU A1127 11.135 5.488 4.175 1.00 0.00 H new ATOM 0 HD21 LEU A1127 13.043 3.178 4.775 1.00 0.00 H new ATOM 0 HD22 LEU A1127 11.273 3.050 4.917 1.00 0.00 H new ATOM 0 HD23 LEU A1127 12.170 1.898 3.899 1.00 0.00 H new ATOM 949 N SER A1128 10.074 3.377 -1.226 1.00 0.00 N ATOM 950 CA SER A1128 9.482 2.563 -2.273 1.00 0.00 C ATOM 951 C SER A1128 10.489 2.428 -3.401 1.00 0.00 C ATOM 952 O SER A1128 10.147 2.147 -4.549 1.00 0.00 O ATOM 953 CB SER A1128 8.178 3.198 -2.771 1.00 0.00 C ATOM 954 OG SER A1128 7.233 3.293 -1.717 1.00 0.00 O ATOM 0 H SER A1128 10.771 4.040 -1.563 1.00 0.00 H new ATOM 0 HA SER A1128 9.236 1.574 -1.886 1.00 0.00 H new ATOM 0 HB2 SER A1128 8.381 4.190 -3.174 1.00 0.00 H new ATOM 0 HB3 SER A1128 7.765 2.602 -3.584 1.00 0.00 H new ATOM 0 HG SER A1128 6.994 4.233 -1.575 1.00 0.00 H new ATOM 960 N ASP A1129 11.744 2.627 -3.035 1.00 0.00 N ATOM 961 CA ASP A1129 12.841 2.649 -3.980 1.00 0.00 C ATOM 962 C ASP A1129 14.137 2.341 -3.255 1.00 0.00 C ATOM 963 O ASP A1129 14.768 1.318 -3.573 1.00 0.00 O ATOM 964 CB ASP A1129 12.944 4.014 -4.665 1.00 0.00 C ATOM 965 CG ASP A1129 14.193 4.132 -5.510 1.00 0.00 C ATOM 966 OD1 ASP A1129 14.306 3.403 -6.515 1.00 0.00 O ATOM 967 OD2 ASP A1129 15.066 4.963 -5.179 1.00 0.00 O ATOM 968 OXT ASP A1129 14.491 3.111 -2.335 1.00 0.00 O ATOM 0 H ASP A1129 12.029 2.778 -2.067 1.00 0.00 H new ATOM 0 HA ASP A1129 12.657 1.895 -4.745 1.00 0.00 H new ATOM 0 HB2 ASP A1129 12.066 4.172 -5.292 1.00 0.00 H new ATOM 0 HB3 ASP A1129 12.942 4.800 -3.909 1.00 0.00 H new ATOM 974 N CYS B1578 17.641 8.057 13.305 1.00 0.00 N ATOM 975 CA CYS B1578 18.584 9.168 13.054 1.00 0.00 C ATOM 976 C CYS B1578 17.838 10.372 12.502 1.00 0.00 C ATOM 977 O CYS B1578 17.259 10.299 11.418 1.00 0.00 O ATOM 978 CB CYS B1578 19.646 8.732 12.046 1.00 0.00 C ATOM 979 SG CYS B1578 20.431 7.149 12.434 1.00 0.00 S ATOM 0 HA CYS B1578 19.062 9.438 13.996 1.00 0.00 H new ATOM 0 HB2 CYS B1578 19.188 8.666 11.059 1.00 0.00 H new ATOM 0 HB3 CYS B1578 20.415 9.502 11.990 1.00 0.00 H new ATOM 0 HG CYS B1578 21.313 6.867 11.521 1.00 0.00 H new ATOM 987 N ILE B1579 17.836 11.472 13.247 1.00 0.00 N ATOM 988 CA ILE B1579 17.180 12.684 12.787 1.00 0.00 C ATOM 989 C ILE B1579 17.872 13.220 11.550 1.00 0.00 C ATOM 990 O ILE B1579 19.090 13.404 11.528 1.00 0.00 O ATOM 991 CB ILE B1579 17.157 13.797 13.856 1.00 0.00 C ATOM 992 CG1 ILE B1579 16.351 13.361 15.078 1.00 0.00 C ATOM 993 CG2 ILE B1579 16.575 15.082 13.273 1.00 0.00 C ATOM 994 CD1 ILE B1579 16.178 14.469 16.090 1.00 0.00 C ATOM 0 H ILE B1579 18.278 11.547 14.163 1.00 0.00 H new ATOM 0 HA ILE B1579 16.150 12.406 12.564 1.00 0.00 H new ATOM 0 HB ILE B1579 18.183 13.986 14.171 1.00 0.00 H new ATOM 0 HG12 ILE B1579 15.370 13.013 14.755 1.00 0.00 H new ATOM 0 HG13 ILE B1579 16.848 12.515 15.553 1.00 0.00 H new ATOM 0 HG21 ILE B1579 16.565 15.857 14.039 1.00 0.00 H new ATOM 0 HG22 ILE B1579 17.187 15.410 12.432 1.00 0.00 H new ATOM 0 HG23 ILE B1579 15.557 14.898 12.931 1.00 0.00 H new ATOM 0 HD11 ILE B1579 15.598 14.101 16.936 1.00 0.00 H new ATOM 0 HD12 ILE B1579 17.157 14.800 16.438 1.00 0.00 H new ATOM 0 HD13 ILE B1579 15.655 15.306 15.627 1.00 0.00 H new ATOM 1006 N ILE B1580 17.092 13.454 10.520 1.00 0.00 N ATOM 1007 CA ILE B1580 17.599 14.049 9.307 1.00 0.00 C ATOM 1008 C ILE B1580 17.701 15.557 9.481 1.00 0.00 C ATOM 1009 O ILE B1580 16.701 16.236 9.595 1.00 0.00 O ATOM 1010 CB ILE B1580 16.701 13.683 8.093 1.00 0.00 C ATOM 1011 CG1 ILE B1580 17.179 12.380 7.459 1.00 0.00 C ATOM 1012 CG2 ILE B1580 16.648 14.789 7.051 1.00 0.00 C ATOM 1013 CD1 ILE B1580 17.124 11.209 8.402 1.00 0.00 C ATOM 0 H ILE B1580 16.095 13.239 10.500 1.00 0.00 H new ATOM 0 HA ILE B1580 18.594 13.653 9.107 1.00 0.00 H new ATOM 0 HB ILE B1580 15.687 13.554 8.471 1.00 0.00 H new ATOM 0 HG12 ILE B1580 16.567 12.163 6.584 1.00 0.00 H new ATOM 0 HG13 ILE B1580 18.203 12.508 7.108 1.00 0.00 H new ATOM 0 HG21 ILE B1580 16.007 14.480 6.225 1.00 0.00 H new ATOM 0 HG22 ILE B1580 16.246 15.696 7.503 1.00 0.00 H new ATOM 0 HG23 ILE B1580 17.653 14.985 6.677 1.00 0.00 H new ATOM 0 HD11 ILE B1580 17.477 10.313 7.891 1.00 0.00 H new ATOM 0 HD12 ILE B1580 17.758 11.407 9.266 1.00 0.00 H new ATOM 0 HD13 ILE B1580 16.097 11.057 8.734 1.00 0.00 H new ATOM 1025 N SER B1581 18.918 16.056 9.582 1.00 0.00 N ATOM 1026 CA SER B1581 19.157 17.491 9.565 1.00 0.00 C ATOM 1027 C SER B1581 18.458 18.206 10.730 1.00 0.00 C ATOM 1028 O SER B1581 18.215 17.620 11.791 1.00 0.00 O ATOM 1029 CB SER B1581 18.652 18.054 8.234 1.00 0.00 C ATOM 1030 OG SER B1581 19.272 17.409 7.131 1.00 0.00 O ATOM 0 H SER B1581 19.761 15.489 9.677 1.00 0.00 H new ATOM 0 HA SER B1581 20.227 17.663 9.677 1.00 0.00 H new ATOM 0 HB2 SER B1581 17.571 17.928 8.171 1.00 0.00 H new ATOM 0 HB3 SER B1581 18.852 19.125 8.191 1.00 0.00 H new ATOM 0 HG SER B1581 18.929 17.788 6.295 1.00 0.00 H new ATOM 1036 N ALA B1582 18.168 19.486 10.529 1.00 0.00 N ATOM 1037 CA ALA B1582 17.346 20.247 11.454 1.00 0.00 C ATOM 1038 C ALA B1582 15.880 20.109 11.058 1.00 0.00 C ATOM 1039 O ALA B1582 15.573 19.744 9.924 1.00 0.00 O ATOM 1040 CB ALA B1582 17.766 21.708 11.463 1.00 0.00 C ATOM 0 H ALA B1582 18.495 20.021 9.724 1.00 0.00 H new ATOM 0 HA ALA B1582 17.481 19.855 12.462 1.00 0.00 H new ATOM 0 HB1 ALA B1582 17.139 22.262 12.162 1.00 0.00 H new ATOM 0 HB2 ALA B1582 18.809 21.785 11.771 1.00 0.00 H new ATOM 0 HB3 ALA B1582 17.652 22.126 10.463 1.00 0.00 H new ATOM 1046 N MET B1583 14.982 20.410 11.987 1.00 0.00 N ATOM 1047 CA MET B1583 13.554 20.187 11.785 1.00 0.00 C ATOM 1048 C MET B1583 12.960 21.116 10.723 1.00 0.00 C ATOM 1049 O MET B1583 13.286 22.304 10.664 1.00 0.00 O ATOM 1050 CB MET B1583 12.816 20.357 13.116 1.00 0.00 C ATOM 1051 CG MET B1583 11.306 20.443 12.977 1.00 0.00 C ATOM 1052 SD MET B1583 10.439 19.658 14.345 1.00 0.00 S ATOM 1053 CE MET B1583 10.905 17.955 14.054 1.00 0.00 C ATOM 0 H MET B1583 15.218 20.812 12.894 1.00 0.00 H new ATOM 0 HA MET B1583 13.427 19.169 11.418 1.00 0.00 H new ATOM 0 HB2 MET B1583 13.064 19.519 13.767 1.00 0.00 H new ATOM 0 HB3 MET B1583 13.178 21.260 13.608 1.00 0.00 H new ATOM 0 HG2 MET B1583 11.009 21.490 12.917 1.00 0.00 H new ATOM 0 HG3 MET B1583 11.004 19.972 12.042 1.00 0.00 H new ATOM 0 HE1 MET B1583 10.059 17.413 13.631 1.00 0.00 H new ATOM 0 HE2 MET B1583 11.742 17.921 13.357 1.00 0.00 H new ATOM 0 HE3 MET B1583 11.198 17.492 14.996 1.00 0.00 H new ATOM 1063 N PRO B1584 12.071 20.567 9.869 1.00 0.00 N ATOM 1064 CA PRO B1584 11.352 21.328 8.861 1.00 0.00 C ATOM 1065 C PRO B1584 10.102 21.967 9.439 1.00 0.00 C ATOM 1066 O PRO B1584 9.831 21.866 10.638 1.00 0.00 O ATOM 1067 CB PRO B1584 10.984 20.261 7.835 1.00 0.00 C ATOM 1068 CG PRO B1584 10.765 19.036 8.645 1.00 0.00 C ATOM 1069 CD PRO B1584 11.689 19.144 9.831 1.00 0.00 C ATOM 0 HA PRO B1584 11.936 22.151 8.449 1.00 0.00 H new ATOM 0 HB2 PRO B1584 10.088 20.536 7.279 1.00 0.00 H new ATOM 0 HB3 PRO B1584 11.781 20.119 7.105 1.00 0.00 H new ATOM 0 HG2 PRO B1584 9.726 18.963 8.967 1.00 0.00 H new ATOM 0 HG3 PRO B1584 10.982 18.141 8.063 1.00 0.00 H new ATOM 0 HD2 PRO B1584 11.191 18.842 10.752 1.00 0.00 H new ATOM 0 HD3 PRO B1584 12.562 18.501 9.715 1.00 0.00 H new ATOM 1077 N THR B1585 9.335 22.605 8.589 1.00 0.00 N ATOM 1078 CA THR B1585 8.131 23.266 9.026 1.00 0.00 C ATOM 1079 C THR B1585 6.925 22.541 8.465 1.00 0.00 C ATOM 1080 O THR B1585 6.896 22.197 7.283 1.00 0.00 O ATOM 1081 CB THR B1585 8.094 24.741 8.581 1.00 0.00 C ATOM 1082 OG1 THR B1585 9.303 25.408 8.972 1.00 0.00 O ATOM 1083 CG2 THR B1585 6.898 25.462 9.190 1.00 0.00 C ATOM 0 H THR B1585 9.524 22.680 7.589 1.00 0.00 H new ATOM 0 HA THR B1585 8.114 23.243 10.116 1.00 0.00 H new ATOM 0 HB THR B1585 8.002 24.763 7.495 1.00 0.00 H new ATOM 0 HG1 THR B1585 9.269 26.344 8.682 1.00 0.00 H new ATOM 0 HG21 THR B1585 6.894 26.501 8.861 1.00 0.00 H new ATOM 0 HG22 THR B1585 5.977 24.976 8.868 1.00 0.00 H new ATOM 0 HG23 THR B1585 6.966 25.426 10.277 1.00 0.00 H new ATOM 1091 N LYS B1586 5.959 22.275 9.326 1.00 0.00 N ATOM 1092 CA LYS B1586 4.712 21.674 8.909 1.00 0.00 C ATOM 1093 C LYS B1586 4.038 22.586 7.889 1.00 0.00 C ATOM 1094 O LYS B1586 3.457 23.617 8.231 1.00 0.00 O ATOM 1095 CB LYS B1586 3.836 21.420 10.134 1.00 0.00 C ATOM 1096 CG LYS B1586 2.443 20.912 9.822 1.00 0.00 C ATOM 1097 CD LYS B1586 1.410 21.964 10.179 1.00 0.00 C ATOM 1098 CE LYS B1586 1.578 22.415 11.623 1.00 0.00 C ATOM 1099 NZ LYS B1586 0.869 23.695 11.898 1.00 0.00 N ATOM 0 H LYS B1586 6.019 22.469 10.326 1.00 0.00 H new ATOM 0 HA LYS B1586 4.886 20.711 8.429 1.00 0.00 H new ATOM 0 HB2 LYS B1586 4.336 20.696 10.778 1.00 0.00 H new ATOM 0 HB3 LYS B1586 3.751 22.347 10.702 1.00 0.00 H new ATOM 0 HG2 LYS B1586 2.368 20.662 8.764 1.00 0.00 H new ATOM 0 HG3 LYS B1586 2.248 19.996 10.380 1.00 0.00 H new ATOM 0 HD2 LYS B1586 1.510 22.820 9.512 1.00 0.00 H new ATOM 0 HD3 LYS B1586 0.408 21.561 10.033 1.00 0.00 H new ATOM 0 HE2 LYS B1586 1.199 21.641 12.290 1.00 0.00 H new ATOM 0 HE3 LYS B1586 2.639 22.534 11.844 1.00 0.00 H new ATOM 0 HZ1 LYS B1586 0.365 23.625 12.805 1.00 0.00 H new ATOM 0 HZ2 LYS B1586 1.560 24.471 11.945 1.00 0.00 H new ATOM 0 HZ3 LYS B1586 0.186 23.884 11.137 1.00 0.00 H new ATOM 1113 N SER B1587 4.144 22.187 6.634 1.00 0.00 N ATOM 1114 CA SER B1587 3.862 23.059 5.496 1.00 0.00 C ATOM 1115 C SER B1587 2.366 23.316 5.271 1.00 0.00 C ATOM 1116 O SER B1587 1.994 23.986 4.305 1.00 0.00 O ATOM 1117 CB SER B1587 4.496 22.446 4.243 1.00 0.00 C ATOM 1118 OG SER B1587 4.465 23.333 3.137 1.00 0.00 O ATOM 0 H SER B1587 4.429 21.244 6.369 1.00 0.00 H new ATOM 0 HA SER B1587 4.295 24.035 5.714 1.00 0.00 H new ATOM 0 HB2 SER B1587 5.529 22.172 4.458 1.00 0.00 H new ATOM 0 HB3 SER B1587 3.970 21.527 3.984 1.00 0.00 H new ATOM 0 HG SER B1587 4.220 22.838 2.327 1.00 0.00 H new ATOM 1124 N SER B1588 1.522 22.801 6.165 1.00 0.00 N ATOM 1125 CA SER B1588 0.066 22.959 6.058 1.00 0.00 C ATOM 1126 C SER B1588 -0.496 22.186 4.875 1.00 0.00 C ATOM 1127 O SER B1588 0.121 22.117 3.809 1.00 0.00 O ATOM 1128 CB SER B1588 -0.315 24.434 5.907 1.00 0.00 C ATOM 1129 OG SER B1588 0.213 25.213 6.969 1.00 0.00 O ATOM 0 H SER B1588 1.822 22.266 6.980 1.00 0.00 H new ATOM 0 HA SER B1588 -0.361 22.561 6.978 1.00 0.00 H new ATOM 0 HB2 SER B1588 0.057 24.813 4.955 1.00 0.00 H new ATOM 0 HB3 SER B1588 -1.400 24.531 5.886 1.00 0.00 H new ATOM 0 HG SER B1588 -0.044 26.151 6.846 1.00 0.00 H new ATOM 1135 N ARG B1589 -1.661 21.587 5.055 1.00 0.00 N ATOM 1136 CA ARG B1589 -2.327 20.946 3.938 1.00 0.00 C ATOM 1137 C ARG B1589 -3.131 21.982 3.201 1.00 0.00 C ATOM 1138 O ARG B1589 -3.858 22.765 3.807 1.00 0.00 O ATOM 1139 CB ARG B1589 -3.260 19.817 4.359 1.00 0.00 C ATOM 1140 CG ARG B1589 -2.885 19.150 5.655 1.00 0.00 C ATOM 1141 CD ARG B1589 -3.338 17.698 5.683 1.00 0.00 C ATOM 1142 NE ARG B1589 -4.781 17.533 5.512 1.00 0.00 N ATOM 1143 CZ ARG B1589 -5.569 16.942 6.408 1.00 0.00 C ATOM 1144 NH1 ARG B1589 -5.095 16.591 7.596 1.00 0.00 N ATOM 1145 NH2 ARG B1589 -6.840 16.714 6.126 1.00 0.00 N ATOM 0 H ARG B1589 -2.156 21.532 5.945 1.00 0.00 H new ATOM 0 HA ARG B1589 -1.552 20.506 3.310 1.00 0.00 H new ATOM 0 HB2 ARG B1589 -4.272 20.212 4.448 1.00 0.00 H new ATOM 0 HB3 ARG B1589 -3.280 19.065 3.570 1.00 0.00 H new ATOM 0 HG2 ARG B1589 -1.805 19.198 5.792 1.00 0.00 H new ATOM 0 HG3 ARG B1589 -3.336 19.690 6.488 1.00 0.00 H new ATOM 0 HD2 ARG B1589 -2.822 17.150 4.895 1.00 0.00 H new ATOM 0 HD3 ARG B1589 -3.039 17.251 6.631 1.00 0.00 H new ATOM 0 HE ARG B1589 -5.208 17.891 4.658 1.00 0.00 H new ATOM 0 HH11 ARG B1589 -4.119 16.773 7.830 1.00 0.00 H new ATOM 0 HH12 ARG B1589 -5.706 16.139 8.276 1.00 0.00 H new ATOM 0 HH21 ARG B1589 -7.219 16.991 5.220 1.00 0.00 H new ATOM 0 HH22 ARG B1589 -7.442 16.261 6.814 1.00 0.00 H new ATOM 1159 N LYS B1590 -3.014 21.974 1.898 1.00 0.00 N ATOM 1160 CA LYS B1590 -3.687 22.969 1.077 1.00 0.00 C ATOM 1161 C LYS B1590 -5.152 22.583 0.937 1.00 0.00 C ATOM 1162 O LYS B1590 -5.993 23.378 0.521 1.00 0.00 O ATOM 1163 CB LYS B1590 -3.026 23.093 -0.304 1.00 0.00 C ATOM 1164 CG LYS B1590 -1.551 22.699 -0.331 1.00 0.00 C ATOM 1165 CD LYS B1590 -0.678 23.535 0.586 1.00 0.00 C ATOM 1166 CE LYS B1590 0.732 22.968 0.623 1.00 0.00 C ATOM 1167 NZ LYS B1590 1.583 23.616 1.653 1.00 0.00 N ATOM 0 H LYS B1590 -2.462 21.294 1.376 1.00 0.00 H new ATOM 0 HA LYS B1590 -3.607 23.942 1.562 1.00 0.00 H new ATOM 0 HB2 LYS B1590 -3.570 22.468 -1.012 1.00 0.00 H new ATOM 0 HB3 LYS B1590 -3.122 24.123 -0.649 1.00 0.00 H new ATOM 0 HG2 LYS B1590 -1.459 21.650 -0.048 1.00 0.00 H new ATOM 0 HG3 LYS B1590 -1.179 22.788 -1.352 1.00 0.00 H new ATOM 0 HD2 LYS B1590 -0.654 24.567 0.237 1.00 0.00 H new ATOM 0 HD3 LYS B1590 -1.100 23.548 1.591 1.00 0.00 H new ATOM 0 HE2 LYS B1590 0.684 21.897 0.819 1.00 0.00 H new ATOM 0 HE3 LYS B1590 1.195 23.092 -0.356 1.00 0.00 H new ATOM 0 HZ1 LYS B1590 2.578 23.358 1.494 1.00 0.00 H new ATOM 0 HZ2 LYS B1590 1.479 24.649 1.589 1.00 0.00 H new ATOM 0 HZ3 LYS B1590 1.289 23.296 2.598 1.00 0.00 H new ATOM 1181 N ALA B1591 -5.445 21.347 1.323 1.00 0.00 N ATOM 1182 CA ALA B1591 -6.804 20.826 1.306 1.00 0.00 C ATOM 1183 C ALA B1591 -7.574 21.243 2.556 1.00 0.00 C ATOM 1184 O ALA B1591 -8.783 21.040 2.639 1.00 0.00 O ATOM 1185 CB ALA B1591 -6.779 19.311 1.175 1.00 0.00 C ATOM 0 H ALA B1591 -4.748 20.680 1.656 1.00 0.00 H new ATOM 0 HA ALA B1591 -7.320 21.249 0.444 1.00 0.00 H new ATOM 0 HB1 ALA B1591 -7.800 18.930 1.163 1.00 0.00 H new ATOM 0 HB2 ALA B1591 -6.278 19.034 0.248 1.00 0.00 H new ATOM 0 HB3 ALA B1591 -6.241 18.882 2.020 1.00 0.00 H new