USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 289 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: A1114 TYR OH : rot 180:sc= 0.474 USER MOD Set 1.2: A1142 ASN : amide:sc= 0.503 K(o=0.98,f=-0.55) USER MOD Set 2.1: A1123 SER OG : rot 41:sc= 0.514 USER MOD Set 2.2: A1125 ASN : amide:sc= 0.0148 X(o=0.53,f=0.5) USER MOD Single : A1103 THR OG1 : rot -35:sc= 0.228 USER MOD Single : A1104 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A1108 SER OG : rot 180:sc= 0.0326 USER MOD Single : A1112 THR OG1 : rot 180:sc= -0.413 USER MOD Single : A1113 GLN : amide:sc= -1.87 K(o=-1.9,f=-9.5!) USER MOD Single : A1115 THR OG1 : rot -87:sc= 1.4 USER MOD Single : A1118 ASN : amide:sc= 0.414 K(o=0.41,f=-5.7!) USER MOD Single : A1119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1120 GLN : amide:sc= -0.0535 K(o=-0.053,f=-0.69) USER MOD Single : A1124 LYS NZ :NH3+ 168:sc= 1.23 (180deg=0.897) USER MOD Single : A1130 THR OG1 : rot 13:sc= 1.09 USER MOD Single : A1132 ASN : amide:sc= -0.979 K(o=-0.98,f=-6.4!) USER MOD Single : A1138 SER OG : rot 62:sc= 0.538 USER MOD Single : A1141 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0554) USER MOD Single : A1144 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.095) USER MOD Single : A1145 SER OG : rot 180:sc= 0 USER MOD Single : A1146 THR OG1 : rot 46:sc= 0.343 USER MOD Single : A1148 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A1103 4.269 4.579 6.746 1.00 12.23 N ATOM 2 CA THR A1103 3.850 3.268 7.288 1.00 11.73 C ATOM 3 C THR A1103 4.519 2.964 8.631 1.00 10.83 C ATOM 4 O THR A1103 4.493 1.819 9.088 1.00 10.67 O ATOM 5 CB THR A1103 4.170 2.132 6.294 1.00 11.83 C ATOM 6 OG1 THR A1103 5.516 2.257 5.811 1.00 12.26 O ATOM 7 CG2 THR A1103 3.202 2.146 5.121 1.00 12.04 C ATOM 0 HA THR A1103 2.773 3.324 7.443 1.00 11.73 H new ATOM 0 HB THR A1103 4.063 1.184 6.822 1.00 11.83 H new ATOM 0 HG1 THR A1103 5.745 3.206 5.721 1.00 12.26 H new ATOM 0 HG21 THR A1103 3.449 1.336 4.435 1.00 12.04 H new ATOM 0 HG22 THR A1103 2.184 2.013 5.488 1.00 12.04 H new ATOM 0 HG23 THR A1103 3.278 3.099 4.598 1.00 12.04 H new ATOM 17 N HIS A1104 5.107 3.993 9.262 1.00 10.41 N ATOM 18 CA HIS A1104 5.819 3.852 10.545 1.00 9.72 C ATOM 19 C HIS A1104 7.137 3.104 10.362 1.00 8.65 C ATOM 20 O HIS A1104 8.205 3.624 10.693 1.00 8.32 O ATOM 21 CB HIS A1104 4.959 3.151 11.610 1.00 10.05 C ATOM 22 CG HIS A1104 3.791 3.958 12.085 1.00 10.43 C ATOM 23 ND1 HIS A1104 2.483 3.564 11.913 1.00 10.71 N ATOM 24 CD2 HIS A1104 3.741 5.132 12.756 1.00 10.84 C ATOM 25 CE1 HIS A1104 1.681 4.460 12.454 1.00 11.25 C ATOM 26 NE2 HIS A1104 2.418 5.422 12.975 1.00 11.34 N ATOM 0 H HIS A1104 5.103 4.946 8.898 1.00 10.41 H new ATOM 0 HA HIS A1104 6.031 4.861 10.898 1.00 9.72 H new ATOM 0 HB2 HIS A1104 4.593 2.208 11.203 1.00 10.05 H new ATOM 0 HB3 HIS A1104 5.589 2.906 12.465 1.00 10.05 H new ATOM 0 HD2 HIS A1104 4.586 5.730 13.063 1.00 10.84 H new ATOM 0 HE1 HIS A1104 0.602 4.414 12.468 1.00 11.25 H new ATOM 0 HE2 HIS A1104 2.063 6.246 13.461 1.00 11.34 H new ATOM 35 N ALA A1105 7.053 1.885 9.846 1.00 8.30 N ATOM 36 CA ALA A1105 8.231 1.092 9.530 1.00 7.41 C ATOM 37 C ALA A1105 9.078 1.813 8.486 1.00 6.47 C ATOM 38 O ALA A1105 8.543 2.315 7.495 1.00 6.54 O ATOM 39 CB ALA A1105 7.816 -0.282 9.024 1.00 7.70 C ATOM 0 H ALA A1105 6.170 1.420 9.636 1.00 8.30 H new ATOM 0 HA ALA A1105 8.827 0.962 10.434 1.00 7.41 H new ATOM 0 HB1 ALA A1105 8.705 -0.868 8.790 1.00 7.70 H new ATOM 0 HB2 ALA A1105 7.237 -0.793 9.793 1.00 7.70 H new ATOM 0 HB3 ALA A1105 7.208 -0.171 8.126 1.00 7.70 H new ATOM 45 N PRO A1106 10.404 1.888 8.707 1.00 5.80 N ATOM 46 CA PRO A1106 11.325 2.609 7.819 1.00 4.97 C ATOM 47 C PRO A1106 11.142 2.242 6.352 1.00 4.25 C ATOM 48 O PRO A1106 11.293 1.079 5.964 1.00 4.22 O ATOM 49 CB PRO A1106 12.701 2.179 8.310 1.00 4.84 C ATOM 50 CG PRO A1106 12.499 1.844 9.744 1.00 5.55 C ATOM 51 CD PRO A1106 11.113 1.267 9.841 1.00 6.09 C ATOM 0 HA PRO A1106 11.159 3.686 7.857 1.00 4.97 H new ATOM 0 HB2 PRO A1106 13.071 1.320 7.750 1.00 4.84 H new ATOM 0 HB3 PRO A1106 13.433 2.978 8.189 1.00 4.84 H new ATOM 0 HG2 PRO A1106 13.245 1.127 10.087 1.00 5.55 H new ATOM 0 HG3 PRO A1106 12.598 2.731 10.370 1.00 5.55 H new ATOM 0 HD2 PRO A1106 11.124 0.180 9.761 1.00 6.09 H new ATOM 0 HD3 PRO A1106 10.641 1.512 10.793 1.00 6.09 H new ATOM 59 N ALA A1107 10.812 3.242 5.548 1.00 4.09 N ATOM 60 CA ALA A1107 10.574 3.050 4.128 1.00 3.77 C ATOM 61 C ALA A1107 11.893 2.954 3.371 1.00 2.63 C ATOM 62 O ALA A1107 12.294 3.885 2.672 1.00 2.62 O ATOM 63 CB ALA A1107 9.718 4.187 3.583 1.00 4.73 C ATOM 0 H ALA A1107 10.702 4.206 5.862 1.00 4.09 H new ATOM 0 HA ALA A1107 10.036 2.113 3.986 1.00 3.77 H new ATOM 0 HB1 ALA A1107 9.545 4.034 2.518 1.00 4.73 H new ATOM 0 HB2 ALA A1107 8.762 4.206 4.107 1.00 4.73 H new ATOM 0 HB3 ALA A1107 10.234 5.135 3.734 1.00 4.73 H new ATOM 69 N SER A1108 12.568 1.825 3.523 1.00 2.16 N ATOM 70 CA SER A1108 13.862 1.603 2.895 1.00 1.43 C ATOM 71 C SER A1108 13.710 1.196 1.429 1.00 1.29 C ATOM 72 O SER A1108 14.154 0.125 1.015 1.00 1.97 O ATOM 73 CB SER A1108 14.631 0.539 3.676 1.00 2.09 C ATOM 74 OG SER A1108 13.794 -0.566 3.987 1.00 2.97 O ATOM 0 H SER A1108 12.236 1.040 4.083 1.00 2.16 H new ATOM 0 HA SER A1108 14.422 2.538 2.913 1.00 1.43 H new ATOM 0 HB2 SER A1108 15.486 0.200 3.091 1.00 2.09 H new ATOM 0 HB3 SER A1108 15.026 0.971 4.595 1.00 2.09 H new ATOM 0 HG SER A1108 14.308 -1.235 4.485 1.00 2.97 H new ATOM 80 N CYS A1109 13.063 2.053 0.657 1.00 0.72 N ATOM 81 CA CYS A1109 12.902 1.832 -0.771 1.00 0.49 C ATOM 82 C CYS A1109 13.129 3.130 -1.536 1.00 0.46 C ATOM 83 O CYS A1109 13.478 4.153 -0.943 1.00 0.62 O ATOM 84 CB CYS A1109 11.508 1.280 -1.080 1.00 0.33 C ATOM 85 SG CYS A1109 11.128 -0.303 -0.256 1.00 0.47 S ATOM 0 H CYS A1109 12.638 2.915 0.998 1.00 0.72 H new ATOM 0 HA CYS A1109 13.644 1.099 -1.088 1.00 0.49 H new ATOM 0 HB2 CYS A1109 10.763 2.019 -0.783 1.00 0.33 H new ATOM 0 HB3 CYS A1109 11.413 1.147 -2.158 1.00 0.33 H new ATOM 90 N LEU A1110 12.940 3.073 -2.847 1.00 0.34 N ATOM 91 CA LEU A1110 13.048 4.244 -3.711 1.00 0.32 C ATOM 92 C LEU A1110 12.043 5.311 -3.286 1.00 0.29 C ATOM 93 O LEU A1110 11.027 5.002 -2.662 1.00 0.30 O ATOM 94 CB LEU A1110 12.753 3.817 -5.147 1.00 0.28 C ATOM 95 CG LEU A1110 13.505 4.548 -6.257 1.00 0.38 C ATOM 96 CD1 LEU A1110 15.009 4.405 -6.083 1.00 0.52 C ATOM 97 CD2 LEU A1110 13.072 3.992 -7.603 1.00 0.39 C ATOM 0 H LEU A1110 12.707 2.213 -3.344 1.00 0.34 H new ATOM 0 HA LEU A1110 14.053 4.660 -3.635 1.00 0.32 H new ATOM 0 HB2 LEU A1110 12.970 2.753 -5.235 1.00 0.28 H new ATOM 0 HB3 LEU A1110 11.685 3.940 -5.324 1.00 0.28 H new ATOM 0 HG LEU A1110 13.266 5.610 -6.207 1.00 0.38 H new ATOM 0 HD11 LEU A1110 15.520 4.935 -6.887 1.00 0.52 H new ATOM 0 HD12 LEU A1110 15.306 4.828 -5.123 1.00 0.52 H new ATOM 0 HD13 LEU A1110 15.280 3.350 -6.114 1.00 0.52 H new ATOM 0 HD21 LEU A1110 13.606 4.510 -8.400 1.00 0.39 H new ATOM 0 HD22 LEU A1110 13.300 2.927 -7.647 1.00 0.39 H new ATOM 0 HD23 LEU A1110 11.999 4.139 -7.729 1.00 0.39 H new ATOM 109 N ASP A1111 12.318 6.559 -3.642 1.00 0.35 N ATOM 110 CA ASP A1111 11.408 7.660 -3.335 1.00 0.38 C ATOM 111 C ASP A1111 10.129 7.545 -4.157 1.00 0.32 C ATOM 112 O ASP A1111 9.082 8.056 -3.773 1.00 0.42 O ATOM 113 CB ASP A1111 12.087 9.009 -3.593 1.00 0.51 C ATOM 114 CG ASP A1111 11.213 10.189 -3.204 1.00 1.37 C ATOM 115 OD1 ASP A1111 10.899 10.331 -2.006 1.00 1.53 O ATOM 116 OD2 ASP A1111 10.828 10.973 -4.097 1.00 2.32 O ATOM 0 H ASP A1111 13.162 6.836 -4.143 1.00 0.35 H new ATOM 0 HA ASP A1111 11.146 7.601 -2.279 1.00 0.38 H new ATOM 0 HB2 ASP A1111 13.021 9.054 -3.033 1.00 0.51 H new ATOM 0 HB3 ASP A1111 12.344 9.085 -4.649 1.00 0.51 H new ATOM 121 N THR A1112 10.222 6.865 -5.293 1.00 0.28 N ATOM 122 CA THR A1112 9.056 6.581 -6.115 1.00 0.31 C ATOM 123 C THR A1112 8.516 5.182 -5.830 1.00 0.24 C ATOM 124 O THR A1112 7.519 4.751 -6.418 1.00 0.30 O ATOM 125 CB THR A1112 9.391 6.702 -7.609 1.00 0.42 C ATOM 126 OG1 THR A1112 10.636 6.048 -7.876 1.00 0.45 O ATOM 127 CG2 THR A1112 9.475 8.158 -8.038 1.00 0.52 C ATOM 0 H THR A1112 11.098 6.499 -5.666 1.00 0.28 H new ATOM 0 HA THR A1112 8.293 7.317 -5.862 1.00 0.31 H new ATOM 0 HB THR A1112 8.593 6.225 -8.178 1.00 0.42 H new ATOM 0 HG1 THR A1112 10.848 6.124 -8.830 1.00 0.45 H new ATOM 0 HG21 THR A1112 9.714 8.211 -9.100 1.00 0.52 H new ATOM 0 HG22 THR A1112 8.518 8.647 -7.856 1.00 0.52 H new ATOM 0 HG23 THR A1112 10.254 8.662 -7.466 1.00 0.52 H new ATOM 135 N GLN A1113 9.187 4.469 -4.934 1.00 0.18 N ATOM 136 CA GLN A1113 8.756 3.143 -4.541 1.00 0.17 C ATOM 137 C GLN A1113 8.003 3.170 -3.226 1.00 0.17 C ATOM 138 O GLN A1113 8.167 4.074 -2.409 1.00 0.23 O ATOM 139 CB GLN A1113 9.944 2.203 -4.411 1.00 0.17 C ATOM 140 CG GLN A1113 10.435 1.654 -5.734 1.00 0.23 C ATOM 141 CD GLN A1113 11.542 0.638 -5.550 1.00 0.35 C ATOM 142 OE1 GLN A1113 12.321 0.722 -4.600 1.00 1.02 O ATOM 143 NE2 GLN A1113 11.613 -0.332 -6.443 1.00 0.67 N ATOM 0 H GLN A1113 10.034 4.793 -4.467 1.00 0.18 H new ATOM 0 HA GLN A1113 8.088 2.782 -5.323 1.00 0.17 H new ATOM 0 HB2 GLN A1113 10.762 2.731 -3.921 1.00 0.17 H new ATOM 0 HB3 GLN A1113 9.668 1.371 -3.763 1.00 0.17 H new ATOM 0 HG2 GLN A1113 9.603 1.192 -6.266 1.00 0.23 H new ATOM 0 HG3 GLN A1113 10.795 2.474 -6.356 1.00 0.23 H new ATOM 0 HE21 GLN A1113 10.947 -0.364 -7.215 1.00 0.67 H new ATOM 0 HE22 GLN A1113 12.334 -1.049 -6.361 1.00 0.67 H new ATOM 152 N TYR A1114 7.191 2.155 -3.037 1.00 0.15 N ATOM 153 CA TYR A1114 6.438 1.983 -1.812 1.00 0.16 C ATOM 154 C TYR A1114 7.060 0.859 -1.006 1.00 0.15 C ATOM 155 O TYR A1114 7.651 -0.063 -1.571 1.00 0.15 O ATOM 156 CB TYR A1114 4.980 1.662 -2.135 1.00 0.18 C ATOM 157 CG TYR A1114 4.065 1.581 -0.931 1.00 0.22 C ATOM 158 CD1 TYR A1114 3.652 2.735 -0.276 1.00 0.33 C ATOM 159 CD2 TYR A1114 3.630 0.356 -0.441 1.00 0.21 C ATOM 160 CE1 TYR A1114 2.834 2.670 0.833 1.00 0.39 C ATOM 161 CE2 TYR A1114 2.806 0.284 0.668 1.00 0.26 C ATOM 162 CZ TYR A1114 2.359 1.421 1.258 1.00 0.34 C ATOM 163 OH TYR A1114 1.602 1.380 2.410 1.00 0.41 O ATOM 0 H TYR A1114 7.033 1.423 -3.729 1.00 0.15 H new ATOM 0 HA TYR A1114 6.465 2.904 -1.230 1.00 0.16 H new ATOM 0 HB2 TYR A1114 4.597 2.424 -2.814 1.00 0.18 H new ATOM 0 HB3 TYR A1114 4.941 0.712 -2.668 1.00 0.18 H new ATOM 0 HD1 TYR A1114 3.977 3.698 -0.641 1.00 0.33 H new ATOM 0 HD2 TYR A1114 3.940 -0.554 -0.933 1.00 0.21 H new ATOM 0 HE1 TYR A1114 2.563 3.569 1.367 1.00 0.39 H new ATOM 0 HE2 TYR A1114 2.518 -0.678 1.065 1.00 0.26 H new ATOM 0 HH TYR A1114 1.335 0.455 2.593 1.00 0.41 H new ATOM 173 N THR A1115 6.927 0.936 0.299 1.00 0.18 N ATOM 174 CA THR A1115 7.529 -0.043 1.178 1.00 0.20 C ATOM 175 C THR A1115 6.451 -0.844 1.901 1.00 0.23 C ATOM 176 O THR A1115 5.757 -0.328 2.781 1.00 0.31 O ATOM 177 CB THR A1115 8.468 0.639 2.190 1.00 0.26 C ATOM 178 OG1 THR A1115 9.366 1.515 1.489 1.00 0.30 O ATOM 179 CG2 THR A1115 9.279 -0.390 2.967 1.00 0.27 C ATOM 0 H THR A1115 6.405 1.670 0.778 1.00 0.18 H new ATOM 0 HA THR A1115 8.121 -0.729 0.573 1.00 0.20 H new ATOM 0 HB THR A1115 7.860 1.205 2.896 1.00 0.26 H new ATOM 0 HG1 THR A1115 10.149 1.008 1.189 1.00 0.30 H new ATOM 0 HG21 THR A1115 9.933 0.121 3.674 1.00 0.27 H new ATOM 0 HG22 THR A1115 8.603 -1.051 3.510 1.00 0.27 H new ATOM 0 HG23 THR A1115 9.882 -0.977 2.274 1.00 0.27 H new ATOM 187 N CYS A1116 6.298 -2.096 1.496 1.00 0.26 N ATOM 188 CA CYS A1116 5.295 -2.980 2.075 1.00 0.34 C ATOM 189 C CYS A1116 5.607 -3.317 3.526 1.00 0.40 C ATOM 190 O CYS A1116 6.702 -3.039 4.020 1.00 0.37 O ATOM 191 CB CYS A1116 5.217 -4.290 1.296 1.00 0.45 C ATOM 192 SG CYS A1116 4.775 -4.128 -0.459 1.00 0.65 S ATOM 0 H CYS A1116 6.861 -2.526 0.762 1.00 0.26 H new ATOM 0 HA CYS A1116 4.346 -2.447 2.024 1.00 0.34 H new ATOM 0 HB2 CYS A1116 6.182 -4.792 1.365 1.00 0.45 H new ATOM 0 HB3 CYS A1116 4.485 -4.937 1.779 1.00 0.45 H new ATOM 197 N ASP A1117 4.649 -3.954 4.191 1.00 0.56 N ATOM 198 CA ASP A1117 4.869 -4.505 5.524 1.00 0.69 C ATOM 199 C ASP A1117 6.022 -5.507 5.483 1.00 0.65 C ATOM 200 O ASP A1117 6.799 -5.626 6.428 1.00 0.71 O ATOM 201 CB ASP A1117 3.588 -5.188 6.023 1.00 0.93 C ATOM 202 CG ASP A1117 3.771 -5.912 7.345 1.00 1.83 C ATOM 203 OD1 ASP A1117 4.231 -7.072 7.340 1.00 2.09 O ATOM 204 OD2 ASP A1117 3.438 -5.328 8.399 1.00 2.62 O ATOM 0 H ASP A1117 3.708 -4.102 3.827 1.00 0.56 H new ATOM 0 HA ASP A1117 5.126 -3.698 6.210 1.00 0.69 H new ATOM 0 HB2 ASP A1117 2.804 -4.439 6.132 1.00 0.93 H new ATOM 0 HB3 ASP A1117 3.247 -5.899 5.271 1.00 0.93 H new ATOM 209 N ASN A1118 6.141 -6.192 4.351 1.00 0.69 N ATOM 210 CA ASN A1118 7.184 -7.196 4.147 1.00 0.75 C ATOM 211 C ASN A1118 8.525 -6.545 3.815 1.00 0.59 C ATOM 212 O ASN A1118 9.504 -7.242 3.551 1.00 0.65 O ATOM 213 CB ASN A1118 6.802 -8.134 2.998 1.00 0.98 C ATOM 214 CG ASN A1118 5.376 -8.601 3.055 1.00 1.77 C ATOM 215 OD1 ASN A1118 4.476 -7.946 2.526 1.00 2.75 O ATOM 216 ND2 ASN A1118 5.154 -9.731 3.676 1.00 2.02 N ATOM 0 H ASN A1118 5.521 -6.069 3.551 1.00 0.69 H new ATOM 0 HA ASN A1118 7.279 -7.758 5.076 1.00 0.75 H new ATOM 0 HB2 ASN A1118 6.971 -7.622 2.050 1.00 0.98 H new ATOM 0 HB3 ASN A1118 7.461 -9.002 3.014 1.00 0.98 H new ATOM 0 HD21 ASN A1118 4.206 -10.102 3.736 1.00 2.02 H new ATOM 0 HD22 ASN A1118 5.929 -10.241 4.100 1.00 2.02 H new ATOM 223 N HIS A1119 8.556 -5.209 3.821 1.00 0.46 N ATOM 224 CA HIS A1119 9.738 -4.443 3.408 1.00 0.41 C ATOM 225 C HIS A1119 10.043 -4.670 1.929 1.00 0.44 C ATOM 226 O HIS A1119 11.187 -4.559 1.490 1.00 0.79 O ATOM 227 CB HIS A1119 10.967 -4.777 4.268 1.00 0.51 C ATOM 228 CG HIS A1119 10.930 -4.170 5.638 1.00 0.63 C ATOM 229 ND1 HIS A1119 10.568 -4.871 6.766 1.00 0.94 N ATOM 230 CD2 HIS A1119 11.220 -2.914 6.057 1.00 0.78 C ATOM 231 CE1 HIS A1119 10.636 -4.076 7.816 1.00 1.05 C ATOM 232 NE2 HIS A1119 11.030 -2.883 7.416 1.00 0.93 N ATOM 0 H HIS A1119 7.768 -4.630 4.110 1.00 0.46 H new ATOM 0 HA HIS A1119 9.507 -3.388 3.559 1.00 0.41 H new ATOM 0 HB2 HIS A1119 11.049 -5.860 4.363 1.00 0.51 H new ATOM 0 HB3 HIS A1119 11.864 -4.433 3.753 1.00 0.51 H new ATOM 0 HD2 HIS A1119 11.541 -2.090 5.437 1.00 0.78 H new ATOM 0 HE1 HIS A1119 10.407 -4.356 8.834 1.00 1.05 H new ATOM 0 HE2 HIS A1119 11.170 -2.071 8.017 1.00 0.93 H new ATOM 241 N GLN A1120 9.004 -4.986 1.169 1.00 0.40 N ATOM 242 CA GLN A1120 9.125 -5.157 -0.271 1.00 0.38 C ATOM 243 C GLN A1120 8.927 -3.813 -0.960 1.00 0.29 C ATOM 244 O GLN A1120 8.081 -3.018 -0.545 1.00 0.39 O ATOM 245 CB GLN A1120 8.096 -6.177 -0.768 1.00 0.49 C ATOM 246 CG GLN A1120 8.175 -6.466 -2.260 1.00 0.50 C ATOM 247 CD GLN A1120 9.509 -7.054 -2.675 1.00 1.05 C ATOM 248 OE1 GLN A1120 10.172 -7.740 -1.895 1.00 1.91 O ATOM 249 NE2 GLN A1120 9.917 -6.788 -3.903 1.00 1.51 N ATOM 0 H GLN A1120 8.061 -5.130 1.530 1.00 0.40 H new ATOM 0 HA GLN A1120 10.120 -5.532 -0.510 1.00 0.38 H new ATOM 0 HB2 GLN A1120 8.232 -7.110 -0.221 1.00 0.49 H new ATOM 0 HB3 GLN A1120 7.096 -5.812 -0.532 1.00 0.49 H new ATOM 0 HG2 GLN A1120 7.378 -7.157 -2.534 1.00 0.50 H new ATOM 0 HG3 GLN A1120 8.002 -5.543 -2.814 1.00 0.50 H new ATOM 0 HE21 GLN A1120 9.340 -6.216 -4.520 1.00 1.51 H new ATOM 0 HE22 GLN A1120 10.809 -7.155 -4.235 1.00 1.51 H new ATOM 258 N CYS A1121 9.715 -3.560 -1.992 1.00 0.21 N ATOM 259 CA CYS A1121 9.686 -2.277 -2.675 1.00 0.21 C ATOM 260 C CYS A1121 8.947 -2.370 -4.009 1.00 0.20 C ATOM 261 O CYS A1121 9.483 -2.886 -4.990 1.00 0.34 O ATOM 262 CB CYS A1121 11.116 -1.784 -2.902 1.00 0.34 C ATOM 263 SG CYS A1121 12.110 -1.679 -1.377 1.00 0.42 S ATOM 0 H CYS A1121 10.384 -4.228 -2.376 1.00 0.21 H new ATOM 0 HA CYS A1121 9.148 -1.568 -2.045 1.00 0.21 H new ATOM 0 HB2 CYS A1121 11.614 -2.453 -3.604 1.00 0.34 H new ATOM 0 HB3 CYS A1121 11.081 -0.800 -3.370 1.00 0.34 H new ATOM 268 N ILE A1122 7.713 -1.880 -4.034 1.00 0.15 N ATOM 269 CA ILE A1122 6.937 -1.819 -5.270 1.00 0.14 C ATOM 270 C ILE A1122 6.836 -0.377 -5.750 1.00 0.14 C ATOM 271 O ILE A1122 7.389 0.520 -5.129 1.00 0.18 O ATOM 272 CB ILE A1122 5.511 -2.384 -5.102 1.00 0.14 C ATOM 273 CG1 ILE A1122 4.711 -1.548 -4.102 1.00 0.13 C ATOM 274 CG2 ILE A1122 5.558 -3.842 -4.669 1.00 0.19 C ATOM 275 CD1 ILE A1122 3.238 -1.882 -4.089 1.00 0.17 C ATOM 0 H ILE A1122 7.227 -1.519 -3.213 1.00 0.15 H new ATOM 0 HA ILE A1122 7.462 -2.434 -6.001 1.00 0.14 H new ATOM 0 HB ILE A1122 5.008 -2.331 -6.068 1.00 0.14 H new ATOM 0 HG12 ILE A1122 5.120 -1.699 -3.103 1.00 0.13 H new ATOM 0 HG13 ILE A1122 4.835 -0.492 -4.340 1.00 0.13 H new ATOM 0 HG21 ILE A1122 4.542 -4.221 -4.556 1.00 0.19 H new ATOM 0 HG22 ILE A1122 6.083 -4.429 -5.423 1.00 0.19 H new ATOM 0 HG23 ILE A1122 6.083 -3.922 -3.717 1.00 0.19 H new ATOM 0 HD11 ILE A1122 2.729 -1.253 -3.358 1.00 0.17 H new ATOM 0 HD12 ILE A1122 2.816 -1.704 -5.078 1.00 0.17 H new ATOM 0 HD13 ILE A1122 3.105 -2.930 -3.821 1.00 0.17 H new ATOM 287 N SER A1123 6.129 -0.153 -6.845 1.00 0.16 N ATOM 288 CA SER A1123 5.896 1.199 -7.332 1.00 0.17 C ATOM 289 C SER A1123 4.781 1.864 -6.535 1.00 0.15 C ATOM 290 O SER A1123 3.785 1.225 -6.194 1.00 0.17 O ATOM 291 CB SER A1123 5.513 1.172 -8.814 1.00 0.24 C ATOM 292 OG SER A1123 4.974 2.423 -9.225 1.00 0.33 O ATOM 0 H SER A1123 5.707 -0.887 -7.413 1.00 0.16 H new ATOM 0 HA SER A1123 6.816 1.770 -7.208 1.00 0.17 H new ATOM 0 HB2 SER A1123 6.390 0.935 -9.416 1.00 0.24 H new ATOM 0 HB3 SER A1123 4.783 0.382 -8.990 1.00 0.24 H new ATOM 0 HG SER A1123 5.490 3.151 -8.820 1.00 0.33 H new ATOM 298 N LYS A1124 4.948 3.155 -6.254 1.00 0.17 N ATOM 299 CA LYS A1124 3.916 3.928 -5.574 1.00 0.19 C ATOM 300 C LYS A1124 2.673 4.067 -6.444 1.00 0.22 C ATOM 301 O LYS A1124 1.596 4.386 -5.946 1.00 0.25 O ATOM 302 CB LYS A1124 4.425 5.319 -5.195 1.00 0.23 C ATOM 303 CG LYS A1124 5.321 5.334 -3.971 1.00 0.25 C ATOM 304 CD LYS A1124 5.747 6.748 -3.623 1.00 0.25 C ATOM 305 CE LYS A1124 6.562 6.783 -2.343 1.00 0.30 C ATOM 306 NZ LYS A1124 6.999 8.161 -2.007 1.00 1.24 N ATOM 0 H LYS A1124 5.788 3.685 -6.487 1.00 0.17 H new ATOM 0 HA LYS A1124 3.657 3.386 -4.665 1.00 0.19 H new ATOM 0 HB2 LYS A1124 4.973 5.737 -6.039 1.00 0.23 H new ATOM 0 HB3 LYS A1124 3.570 5.971 -5.015 1.00 0.23 H new ATOM 0 HG2 LYS A1124 4.794 4.891 -3.126 1.00 0.25 H new ATOM 0 HG3 LYS A1124 6.203 4.720 -4.154 1.00 0.25 H new ATOM 0 HD2 LYS A1124 6.334 7.164 -4.441 1.00 0.25 H new ATOM 0 HD3 LYS A1124 4.865 7.378 -3.511 1.00 0.25 H new ATOM 0 HE2 LYS A1124 5.968 6.379 -1.523 1.00 0.30 H new ATOM 0 HE3 LYS A1124 7.436 6.140 -2.450 1.00 0.30 H new ATOM 0 HZ1 LYS A1124 7.372 8.180 -1.036 1.00 1.24 H new ATOM 0 HZ2 LYS A1124 7.742 8.461 -2.670 1.00 1.24 H new ATOM 0 HZ3 LYS A1124 6.189 8.809 -2.079 1.00 1.24 H new ATOM 320 N ASN A1125 2.822 3.819 -7.743 1.00 0.24 N ATOM 321 CA ASN A1125 1.697 3.931 -8.664 1.00 0.28 C ATOM 322 C ASN A1125 0.818 2.690 -8.591 1.00 0.26 C ATOM 323 O ASN A1125 -0.340 2.708 -9.003 1.00 0.32 O ATOM 324 CB ASN A1125 2.182 4.151 -10.100 1.00 0.36 C ATOM 325 CG ASN A1125 2.880 5.487 -10.283 1.00 1.03 C ATOM 326 OD1 ASN A1125 2.237 6.503 -10.544 1.00 1.75 O ATOM 327 ND2 ASN A1125 4.201 5.493 -10.166 1.00 1.69 N ATOM 0 H ASN A1125 3.702 3.542 -8.177 1.00 0.24 H new ATOM 0 HA ASN A1125 1.106 4.797 -8.365 1.00 0.28 H new ATOM 0 HB2 ASN A1125 2.865 3.348 -10.376 1.00 0.36 H new ATOM 0 HB3 ASN A1125 1.332 4.094 -10.779 1.00 0.36 H new ATOM 0 HD21 ASN A1125 4.720 6.362 -10.293 1.00 1.69 H new ATOM 0 HD22 ASN A1125 4.698 4.629 -9.949 1.00 1.69 H new ATOM 334 N TRP A1126 1.369 1.617 -8.036 1.00 0.22 N ATOM 335 CA TRP A1126 0.644 0.358 -7.912 1.00 0.22 C ATOM 336 C TRP A1126 -0.098 0.291 -6.586 1.00 0.20 C ATOM 337 O TRP A1126 -0.894 -0.611 -6.350 1.00 0.26 O ATOM 338 CB TRP A1126 1.602 -0.827 -8.019 1.00 0.25 C ATOM 339 CG TRP A1126 2.259 -0.961 -9.361 1.00 0.31 C ATOM 340 CD1 TRP A1126 1.819 -0.452 -10.550 1.00 0.37 C ATOM 341 CD2 TRP A1126 3.468 -1.669 -9.652 1.00 0.38 C ATOM 342 NE1 TRP A1126 2.690 -0.789 -11.557 1.00 0.45 N ATOM 343 CE2 TRP A1126 3.710 -1.538 -11.033 1.00 0.45 C ATOM 344 CE3 TRP A1126 4.375 -2.397 -8.878 1.00 0.44 C ATOM 345 CZ2 TRP A1126 4.819 -2.109 -11.653 1.00 0.54 C ATOM 346 CZ3 TRP A1126 5.473 -2.963 -9.493 1.00 0.55 C ATOM 347 CH2 TRP A1126 5.689 -2.815 -10.870 1.00 0.58 C ATOM 0 H TRP A1126 2.318 1.594 -7.664 1.00 0.22 H new ATOM 0 HA TRP A1126 -0.079 0.308 -8.726 1.00 0.22 H new ATOM 0 HB2 TRP A1126 2.374 -0.727 -7.256 1.00 0.25 H new ATOM 0 HB3 TRP A1126 1.055 -1.744 -7.800 1.00 0.25 H new ATOM 0 HD1 TRP A1126 0.918 0.130 -10.679 1.00 0.37 H new ATOM 0 HE1 TRP A1126 2.593 -0.524 -12.537 1.00 0.45 H new ATOM 0 HE3 TRP A1126 4.219 -2.515 -7.816 1.00 0.44 H new ATOM 0 HZ2 TRP A1126 4.985 -1.998 -12.714 1.00 0.54 H new ATOM 0 HZ3 TRP A1126 6.178 -3.530 -8.903 1.00 0.55 H new ATOM 0 HH2 TRP A1126 6.560 -3.268 -11.321 1.00 0.58 H new ATOM 358 N VAL A1127 0.177 1.248 -5.723 1.00 0.19 N ATOM 359 CA VAL A1127 -0.440 1.294 -4.404 1.00 0.18 C ATOM 360 C VAL A1127 -1.932 1.577 -4.505 1.00 0.19 C ATOM 361 O VAL A1127 -2.344 2.555 -5.134 1.00 0.23 O ATOM 362 CB VAL A1127 0.228 2.366 -3.519 1.00 0.21 C ATOM 363 CG1 VAL A1127 -0.418 2.434 -2.142 1.00 0.24 C ATOM 364 CG2 VAL A1127 1.716 2.093 -3.400 1.00 0.24 C ATOM 0 H VAL A1127 0.828 2.011 -5.909 1.00 0.19 H new ATOM 0 HA VAL A1127 -0.298 0.315 -3.946 1.00 0.18 H new ATOM 0 HB VAL A1127 0.084 3.335 -3.996 1.00 0.21 H new ATOM 0 HG11 VAL A1127 0.077 3.200 -1.545 1.00 0.24 H new ATOM 0 HG12 VAL A1127 -1.474 2.683 -2.247 1.00 0.24 H new ATOM 0 HG13 VAL A1127 -0.321 1.468 -1.646 1.00 0.24 H new ATOM 0 HG21 VAL A1127 2.177 2.856 -2.773 1.00 0.24 H new ATOM 0 HG22 VAL A1127 1.871 1.112 -2.951 1.00 0.24 H new ATOM 0 HG23 VAL A1127 2.170 2.114 -4.391 1.00 0.24 H new ATOM 374 N CYS A1128 -2.726 0.694 -3.902 1.00 0.19 N ATOM 375 CA CYS A1128 -4.177 0.846 -3.852 1.00 0.26 C ATOM 376 C CYS A1128 -4.758 0.904 -5.262 1.00 0.27 C ATOM 377 O CYS A1128 -5.517 1.807 -5.611 1.00 0.37 O ATOM 378 CB CYS A1128 -4.547 2.095 -3.047 1.00 0.32 C ATOM 379 SG CYS A1128 -6.332 2.311 -2.737 1.00 0.58 S ATOM 0 H CYS A1128 -2.381 -0.145 -3.435 1.00 0.19 H new ATOM 0 HA CYS A1128 -4.607 -0.021 -3.351 1.00 0.26 H new ATOM 0 HB2 CYS A1128 -4.029 2.058 -2.089 1.00 0.32 H new ATOM 0 HB3 CYS A1128 -4.176 2.973 -3.576 1.00 0.32 H new ATOM 384 N ASP A1129 -4.387 -0.075 -6.071 1.00 0.25 N ATOM 385 CA ASP A1129 -4.852 -0.149 -7.453 1.00 0.30 C ATOM 386 C ASP A1129 -5.767 -1.360 -7.630 1.00 0.37 C ATOM 387 O ASP A1129 -5.991 -1.826 -8.747 1.00 0.41 O ATOM 388 CB ASP A1129 -3.660 -0.241 -8.413 1.00 0.31 C ATOM 389 CG ASP A1129 -3.093 -1.643 -8.508 1.00 0.35 C ATOM 390 OD1 ASP A1129 -2.827 -2.255 -7.451 1.00 0.31 O ATOM 391 OD2 ASP A1129 -2.908 -2.132 -9.639 1.00 0.46 O ATOM 0 H ASP A1129 -3.763 -0.834 -5.796 1.00 0.25 H new ATOM 0 HA ASP A1129 -5.413 0.756 -7.684 1.00 0.30 H new ATOM 0 HB2 ASP A1129 -3.971 0.089 -9.404 1.00 0.31 H new ATOM 0 HB3 ASP A1129 -2.878 0.441 -8.081 1.00 0.31 H new ATOM 396 N THR A1130 -6.271 -1.854 -6.500 1.00 0.45 N ATOM 397 CA THR A1130 -7.155 -3.024 -6.426 1.00 0.56 C ATOM 398 C THR A1130 -6.515 -4.284 -7.015 1.00 0.61 C ATOM 399 O THR A1130 -7.204 -5.179 -7.505 1.00 0.73 O ATOM 400 CB THR A1130 -8.561 -2.782 -7.043 1.00 0.59 C ATOM 401 OG1 THR A1130 -8.487 -2.358 -8.411 1.00 0.56 O ATOM 402 CG2 THR A1130 -9.320 -1.745 -6.231 1.00 0.65 C ATOM 0 H THR A1130 -6.073 -1.444 -5.587 1.00 0.45 H new ATOM 0 HA THR A1130 -7.303 -3.190 -5.359 1.00 0.56 H new ATOM 0 HB THR A1130 -9.090 -3.735 -7.017 1.00 0.59 H new ATOM 0 HG1 THR A1130 -7.577 -2.496 -8.748 1.00 0.56 H new ATOM 0 HG21 THR A1130 -10.303 -1.585 -6.674 1.00 0.65 H new ATOM 0 HG22 THR A1130 -9.437 -2.099 -5.207 1.00 0.65 H new ATOM 0 HG23 THR A1130 -8.765 -0.807 -6.230 1.00 0.65 H new ATOM 410 N ASP A1131 -5.190 -4.342 -6.955 1.00 0.59 N ATOM 411 CA ASP A1131 -4.451 -5.542 -7.314 1.00 0.69 C ATOM 412 C ASP A1131 -3.258 -5.700 -6.384 1.00 0.67 C ATOM 413 O ASP A1131 -2.674 -4.708 -5.945 1.00 0.53 O ATOM 414 CB ASP A1131 -3.977 -5.461 -8.761 1.00 0.75 C ATOM 415 CG ASP A1131 -3.394 -6.771 -9.256 1.00 0.92 C ATOM 416 OD1 ASP A1131 -4.073 -7.812 -9.131 1.00 1.21 O ATOM 417 OD2 ASP A1131 -2.267 -6.766 -9.793 1.00 0.92 O ATOM 0 H ASP A1131 -4.602 -3.563 -6.658 1.00 0.59 H new ATOM 0 HA ASP A1131 -5.107 -6.407 -7.213 1.00 0.69 H new ATOM 0 HB2 ASP A1131 -4.814 -5.176 -9.399 1.00 0.75 H new ATOM 0 HB3 ASP A1131 -3.226 -4.676 -8.850 1.00 0.75 H new ATOM 422 N ASN A1132 -2.901 -6.931 -6.062 1.00 0.94 N ATOM 423 CA ASN A1132 -1.787 -7.163 -5.157 1.00 1.00 C ATOM 424 C ASN A1132 -0.482 -7.302 -5.929 1.00 0.91 C ATOM 425 O ASN A1132 -0.278 -8.265 -6.669 1.00 1.06 O ATOM 426 CB ASN A1132 -2.028 -8.396 -4.284 1.00 1.29 C ATOM 427 CG ASN A1132 -0.886 -8.631 -3.315 1.00 1.72 C ATOM 428 OD1 ASN A1132 -0.161 -7.702 -2.960 1.00 2.58 O ATOM 429 ND2 ASN A1132 -0.723 -9.863 -2.866 1.00 2.07 N ATOM 0 H ASN A1132 -3.358 -7.775 -6.407 1.00 0.94 H new ATOM 0 HA ASN A1132 -1.709 -6.296 -4.500 1.00 1.00 H new ATOM 0 HB2 ASN A1132 -2.957 -8.272 -3.728 1.00 1.29 H new ATOM 0 HB3 ASN A1132 -2.152 -9.273 -4.919 1.00 1.29 H new ATOM 0 HD21 ASN A1132 0.024 -10.069 -2.202 1.00 2.07 H new ATOM 0 HD22 ASN A1132 -1.344 -10.608 -3.183 1.00 2.07 H new ATOM 436 N ASP A1133 0.399 -6.329 -5.742 1.00 0.86 N ATOM 437 CA ASP A1133 1.682 -6.299 -6.435 1.00 0.77 C ATOM 438 C ASP A1133 2.786 -6.740 -5.499 1.00 0.78 C ATOM 439 O ASP A1133 3.953 -6.817 -5.883 1.00 1.28 O ATOM 440 CB ASP A1133 1.999 -4.887 -6.926 1.00 0.67 C ATOM 441 CG ASP A1133 0.850 -4.249 -7.664 1.00 0.58 C ATOM 442 OD1 ASP A1133 0.010 -3.599 -7.004 1.00 1.00 O ATOM 443 OD2 ASP A1133 0.779 -4.389 -8.902 1.00 1.09 O ATOM 0 H ASP A1133 0.247 -5.543 -5.110 1.00 0.86 H new ATOM 0 HA ASP A1133 1.619 -6.975 -7.288 1.00 0.77 H new ATOM 0 HB2 ASP A1133 2.267 -4.263 -6.073 1.00 0.67 H new ATOM 0 HB3 ASP A1133 2.869 -4.923 -7.581 1.00 0.67 H new ATOM 448 N CYS A1134 2.409 -7.026 -4.267 1.00 0.76 N ATOM 449 CA CYS A1134 3.373 -7.286 -3.218 1.00 0.78 C ATOM 450 C CYS A1134 3.068 -8.620 -2.539 1.00 0.85 C ATOM 451 O CYS A1134 2.179 -9.352 -2.981 1.00 1.57 O ATOM 452 CB CYS A1134 3.330 -6.131 -2.212 1.00 0.82 C ATOM 453 SG CYS A1134 4.747 -6.061 -1.077 1.00 1.16 S ATOM 0 H CYS A1134 1.435 -7.084 -3.968 1.00 0.76 H new ATOM 0 HA CYS A1134 4.375 -7.353 -3.641 1.00 0.78 H new ATOM 0 HB2 CYS A1134 3.274 -5.191 -2.761 1.00 0.82 H new ATOM 0 HB3 CYS A1134 2.415 -6.212 -1.625 1.00 0.82 H new ATOM 458 N GLY A1135 3.807 -8.948 -1.489 1.00 1.17 N ATOM 459 CA GLY A1135 3.562 -10.184 -0.772 1.00 1.22 C ATOM 460 C GLY A1135 2.269 -10.149 0.015 1.00 1.18 C ATOM 461 O GLY A1135 1.299 -10.825 -0.335 1.00 1.68 O ATOM 0 H GLY A1135 4.571 -8.382 -1.121 1.00 1.17 H new ATOM 0 HA2 GLY A1135 3.530 -11.012 -1.481 1.00 1.22 H new ATOM 0 HA3 GLY A1135 4.392 -10.377 -0.093 1.00 1.22 H new ATOM 465 N ASP A1136 2.249 -9.344 1.070 1.00 1.02 N ATOM 466 CA ASP A1136 1.081 -9.244 1.942 1.00 1.11 C ATOM 467 C ASP A1136 -0.073 -8.524 1.256 1.00 0.93 C ATOM 468 O ASP A1136 -1.242 -8.824 1.499 1.00 1.35 O ATOM 469 CB ASP A1136 1.446 -8.514 3.234 1.00 1.44 C ATOM 470 CG ASP A1136 0.248 -8.272 4.131 1.00 2.10 C ATOM 471 OD1 ASP A1136 -0.116 -9.180 4.906 1.00 2.47 O ATOM 472 OD2 ASP A1136 -0.338 -7.170 4.060 1.00 2.85 O ATOM 0 H ASP A1136 3.030 -8.748 1.345 1.00 1.02 H new ATOM 0 HA ASP A1136 0.758 -10.259 2.174 1.00 1.11 H new ATOM 0 HB2 ASP A1136 2.189 -9.097 3.778 1.00 1.44 H new ATOM 0 HB3 ASP A1136 1.909 -7.558 2.988 1.00 1.44 H new ATOM 477 N GLY A1137 0.266 -7.594 0.377 1.00 0.62 N ATOM 478 CA GLY A1137 -0.740 -6.747 -0.227 1.00 0.49 C ATOM 479 C GLY A1137 -0.995 -5.527 0.620 1.00 0.36 C ATOM 480 O GLY A1137 -2.078 -4.938 0.586 1.00 0.36 O ATOM 0 H GLY A1137 1.221 -7.411 0.071 1.00 0.62 H new ATOM 0 HA2 GLY A1137 -0.415 -6.442 -1.222 1.00 0.49 H new ATOM 0 HA3 GLY A1137 -1.666 -7.308 -0.352 1.00 0.49 H new ATOM 484 N SER A1138 0.024 -5.141 1.377 1.00 0.32 N ATOM 485 CA SER A1138 -0.091 -4.062 2.336 1.00 0.28 C ATOM 486 C SER A1138 -0.265 -2.711 1.641 1.00 0.25 C ATOM 487 O SER A1138 -0.709 -1.741 2.258 1.00 0.40 O ATOM 488 CB SER A1138 1.138 -4.055 3.246 1.00 0.33 C ATOM 489 OG SER A1138 2.332 -3.942 2.491 1.00 0.44 O ATOM 0 H SER A1138 0.949 -5.569 1.340 1.00 0.32 H new ATOM 0 HA SER A1138 -0.983 -4.228 2.941 1.00 0.28 H new ATOM 0 HB2 SER A1138 1.069 -3.225 3.949 1.00 0.33 H new ATOM 0 HB3 SER A1138 1.163 -4.971 3.836 1.00 0.33 H new ATOM 0 HG SER A1138 2.331 -3.093 2.002 1.00 0.44 H new ATOM 495 N ASP A1139 0.057 -2.666 0.350 1.00 0.18 N ATOM 496 CA ASP A1139 -0.108 -1.452 -0.444 1.00 0.18 C ATOM 497 C ASP A1139 -1.588 -1.154 -0.635 1.00 0.20 C ATOM 498 O ASP A1139 -1.987 -0.018 -0.885 1.00 0.29 O ATOM 499 CB ASP A1139 0.583 -1.592 -1.807 1.00 0.19 C ATOM 500 CG ASP A1139 -0.081 -2.613 -2.716 1.00 0.26 C ATOM 501 OD1 ASP A1139 -0.035 -3.820 -2.401 1.00 0.33 O ATOM 502 OD2 ASP A1139 -0.646 -2.210 -3.757 1.00 0.32 O ATOM 0 H ASP A1139 0.435 -3.459 -0.169 1.00 0.18 H new ATOM 0 HA ASP A1139 0.358 -0.624 0.091 1.00 0.18 H new ATOM 0 HB2 ASP A1139 0.589 -0.622 -2.305 1.00 0.19 H new ATOM 0 HB3 ASP A1139 1.624 -1.877 -1.651 1.00 0.19 H new ATOM 507 N GLU A1140 -2.399 -2.188 -0.508 1.00 0.22 N ATOM 508 CA GLU A1140 -3.837 -2.049 -0.619 1.00 0.27 C ATOM 509 C GLU A1140 -4.459 -1.884 0.768 1.00 0.31 C ATOM 510 O GLU A1140 -5.378 -1.090 0.951 1.00 0.44 O ATOM 511 CB GLU A1140 -4.428 -3.281 -1.305 1.00 0.29 C ATOM 512 CG GLU A1140 -3.837 -3.577 -2.677 1.00 0.29 C ATOM 513 CD GLU A1140 -4.242 -2.569 -3.736 1.00 0.28 C ATOM 514 OE1 GLU A1140 -5.434 -2.198 -3.786 1.00 0.38 O ATOM 515 OE2 GLU A1140 -3.373 -2.152 -4.532 1.00 0.28 O ATOM 0 H GLU A1140 -2.082 -3.140 -0.326 1.00 0.22 H new ATOM 0 HA GLU A1140 -4.059 -1.164 -1.215 1.00 0.27 H new ATOM 0 HB2 GLU A1140 -4.277 -4.148 -0.662 1.00 0.29 H new ATOM 0 HB3 GLU A1140 -5.504 -3.144 -1.408 1.00 0.29 H new ATOM 0 HG2 GLU A1140 -2.750 -3.596 -2.600 1.00 0.29 H new ATOM 0 HG3 GLU A1140 -4.151 -4.572 -2.993 1.00 0.29 H new ATOM 522 N LYS A1141 -3.939 -2.626 1.749 1.00 0.30 N ATOM 523 CA LYS A1141 -4.518 -2.638 3.096 1.00 0.37 C ATOM 524 C LYS A1141 -4.318 -1.298 3.798 1.00 0.49 C ATOM 525 O LYS A1141 -5.132 -0.894 4.631 1.00 0.57 O ATOM 526 CB LYS A1141 -3.925 -3.775 3.944 1.00 0.47 C ATOM 527 CG LYS A1141 -2.646 -3.418 4.695 1.00 0.57 C ATOM 528 CD LYS A1141 -2.062 -4.629 5.403 1.00 0.76 C ATOM 529 CE LYS A1141 -0.812 -4.276 6.192 1.00 0.91 C ATOM 530 NZ LYS A1141 -1.105 -3.409 7.362 1.00 1.55 N ATOM 0 H LYS A1141 -3.121 -3.225 1.637 1.00 0.30 H new ATOM 0 HA LYS A1141 -5.589 -2.810 2.987 1.00 0.37 H new ATOM 0 HB2 LYS A1141 -4.675 -4.099 4.666 1.00 0.47 H new ATOM 0 HB3 LYS A1141 -3.721 -4.625 3.293 1.00 0.47 H new ATOM 0 HG2 LYS A1141 -1.913 -3.014 3.997 1.00 0.57 H new ATOM 0 HG3 LYS A1141 -2.857 -2.635 5.424 1.00 0.57 H new ATOM 0 HD2 LYS A1141 -2.809 -5.051 6.076 1.00 0.76 H new ATOM 0 HD3 LYS A1141 -1.823 -5.398 4.669 1.00 0.76 H new ATOM 0 HE2 LYS A1141 -0.331 -5.192 6.534 1.00 0.91 H new ATOM 0 HE3 LYS A1141 -0.103 -3.770 5.537 1.00 0.91 H new ATOM 0 HZ1 LYS A1141 -0.253 -3.321 7.951 1.00 1.55 H new ATOM 0 HZ2 LYS A1141 -1.396 -2.467 7.032 1.00 1.55 H new ATOM 0 HZ3 LYS A1141 -1.872 -3.831 7.923 1.00 1.55 H new ATOM 544 N ASN A1142 -3.232 -0.612 3.463 1.00 0.60 N ATOM 545 CA ASN A1142 -2.959 0.702 4.033 1.00 0.81 C ATOM 546 C ASN A1142 -3.875 1.739 3.391 1.00 0.91 C ATOM 547 O ASN A1142 -4.083 2.828 3.922 1.00 1.44 O ATOM 548 CB ASN A1142 -1.489 1.080 3.842 1.00 1.07 C ATOM 549 CG ASN A1142 -1.101 2.336 4.601 1.00 1.37 C ATOM 550 OD1 ASN A1142 -1.696 2.667 5.632 1.00 2.05 O ATOM 551 ND2 ASN A1142 -0.089 3.031 4.110 1.00 1.92 N ATOM 0 H ASN A1142 -2.528 -0.942 2.802 1.00 0.60 H new ATOM 0 HA ASN A1142 -3.157 0.673 5.104 1.00 0.81 H new ATOM 0 HB2 ASN A1142 -0.860 0.253 4.172 1.00 1.07 H new ATOM 0 HB3 ASN A1142 -1.291 1.227 2.780 1.00 1.07 H new ATOM 0 HD21 ASN A1142 0.228 3.876 4.586 1.00 1.92 H new ATOM 0 HD22 ASN A1142 0.375 2.722 3.256 1.00 1.92 H new ATOM 558 N CYS A1143 -4.436 1.375 2.250 1.00 0.76 N ATOM 559 CA CYS A1143 -5.435 2.192 1.584 1.00 0.99 C ATOM 560 C CYS A1143 -6.822 1.685 1.966 1.00 1.29 C ATOM 561 O CYS A1143 -7.616 1.272 1.119 1.00 1.67 O ATOM 562 CB CYS A1143 -5.230 2.137 0.069 1.00 0.93 C ATOM 563 SG CYS A1143 -6.382 3.170 -0.900 1.00 1.10 S ATOM 0 H CYS A1143 -4.212 0.508 1.761 1.00 0.76 H new ATOM 0 HA CYS A1143 -5.337 3.231 1.898 1.00 0.99 H new ATOM 0 HB2 CYS A1143 -4.210 2.447 -0.156 1.00 0.93 H new ATOM 0 HB3 CYS A1143 -5.329 1.102 -0.259 1.00 0.93 H new ATOM 568 N ASN A1144 -7.094 1.703 3.262 1.00 1.87 N ATOM 569 CA ASN A1144 -8.340 1.174 3.801 1.00 2.36 C ATOM 570 C ASN A1144 -9.469 2.190 3.679 1.00 3.05 C ATOM 571 O ASN A1144 -10.023 2.652 4.673 1.00 3.73 O ATOM 572 CB ASN A1144 -8.156 0.743 5.263 1.00 3.11 C ATOM 573 CG ASN A1144 -7.397 1.766 6.091 1.00 3.87 C ATOM 574 OD1 ASN A1144 -7.975 2.706 6.632 1.00 4.27 O ATOM 575 ND2 ASN A1144 -6.089 1.579 6.211 1.00 4.59 N ATOM 0 H ASN A1144 -6.462 2.082 3.967 1.00 1.87 H new ATOM 0 HA ASN A1144 -8.614 0.298 3.213 1.00 2.36 H new ATOM 0 HB2 ASN A1144 -9.135 0.574 5.712 1.00 3.11 H new ATOM 0 HB3 ASN A1144 -7.623 -0.207 5.292 1.00 3.11 H new ATOM 0 HD21 ASN A1144 -5.530 2.227 6.766 1.00 4.59 H new ATOM 0 HD22 ASN A1144 -5.642 0.788 5.748 1.00 4.59 H new ATOM 582 N SER A1145 -9.805 2.533 2.451 1.00 3.53 N ATOM 583 CA SER A1145 -10.893 3.454 2.189 1.00 4.69 C ATOM 584 C SER A1145 -11.962 2.781 1.341 1.00 5.23 C ATOM 585 O SER A1145 -11.650 2.123 0.348 1.00 5.32 O ATOM 586 CB SER A1145 -10.365 4.708 1.496 1.00 5.40 C ATOM 587 OG SER A1145 -9.508 4.371 0.413 1.00 5.26 O ATOM 0 H SER A1145 -9.337 2.185 1.614 1.00 3.53 H new ATOM 0 HA SER A1145 -11.343 3.747 3.138 1.00 4.69 H new ATOM 0 HB2 SER A1145 -11.201 5.305 1.131 1.00 5.40 H new ATOM 0 HB3 SER A1145 -9.824 5.324 2.214 1.00 5.40 H new ATOM 0 HG SER A1145 -9.184 5.191 -0.015 1.00 5.26 H new ATOM 593 N THR A1146 -13.214 2.944 1.742 1.00 5.97 N ATOM 594 CA THR A1146 -14.328 2.313 1.053 1.00 6.81 C ATOM 595 C THR A1146 -14.560 2.939 -0.319 1.00 7.34 C ATOM 596 O THR A1146 -15.184 3.999 -0.433 1.00 8.15 O ATOM 597 CB THR A1146 -15.620 2.410 1.887 1.00 7.69 C ATOM 598 OG1 THR A1146 -15.829 3.763 2.310 1.00 7.92 O ATOM 599 CG2 THR A1146 -15.553 1.496 3.101 1.00 7.74 C ATOM 0 H THR A1146 -13.484 3.511 2.546 1.00 5.97 H new ATOM 0 HA THR A1146 -14.068 1.263 0.919 1.00 6.81 H new ATOM 0 HB THR A1146 -16.454 2.092 1.262 1.00 7.69 H new ATOM 0 HG1 THR A1146 -15.691 4.368 1.551 1.00 7.92 H new ATOM 0 HG21 THR A1146 -16.477 1.583 3.673 1.00 7.74 H new ATOM 0 HG22 THR A1146 -15.425 0.464 2.773 1.00 7.74 H new ATOM 0 HG23 THR A1146 -14.709 1.785 3.728 1.00 7.74 H new ATOM 607 N GLU A1147 -14.053 2.286 -1.360 1.00 7.13 N ATOM 608 CA GLU A1147 -14.233 2.767 -2.725 1.00 7.94 C ATOM 609 C GLU A1147 -15.677 2.549 -3.165 1.00 8.95 C ATOM 610 O GLU A1147 -16.171 3.226 -4.068 1.00 9.87 O ATOM 611 CB GLU A1147 -13.273 2.050 -3.684 1.00 7.79 C ATOM 612 CG GLU A1147 -13.578 0.571 -3.871 1.00 7.90 C ATOM 613 CD GLU A1147 -12.584 -0.128 -4.774 1.00 8.00 C ATOM 614 OE1 GLU A1147 -12.493 0.238 -5.962 1.00 8.08 O ATOM 615 OE2 GLU A1147 -11.885 -1.050 -4.297 1.00 8.23 O ATOM 0 H GLU A1147 -13.515 1.423 -1.284 1.00 7.13 H new ATOM 0 HA GLU A1147 -14.009 3.833 -2.751 1.00 7.94 H new ATOM 0 HB2 GLU A1147 -13.309 2.544 -4.655 1.00 7.79 H new ATOM 0 HB3 GLU A1147 -12.255 2.156 -3.310 1.00 7.79 H new ATOM 0 HG2 GLU A1147 -13.583 0.081 -2.897 1.00 7.90 H new ATOM 0 HG3 GLU A1147 -14.579 0.462 -4.288 1.00 7.90 H new ATOM 622 N THR A1148 -16.341 1.609 -2.490 1.00 8.94 N ATOM 623 CA THR A1148 -17.710 1.220 -2.802 1.00 10.03 C ATOM 624 C THR A1148 -17.767 0.518 -4.158 1.00 10.71 C ATOM 625 O THR A1148 -17.820 -0.708 -4.228 1.00 11.12 O ATOM 626 CB THR A1148 -18.670 2.429 -2.779 1.00 10.21 C ATOM 627 OG1 THR A1148 -18.462 3.182 -1.577 1.00 9.58 O ATOM 628 CG2 THR A1148 -20.120 1.976 -2.847 1.00 11.01 C ATOM 0 H THR A1148 -15.938 1.095 -1.707 1.00 8.94 H new ATOM 0 HA THR A1148 -18.040 0.526 -2.029 1.00 10.03 H new ATOM 0 HB THR A1148 -18.461 3.050 -3.650 1.00 10.21 H new ATOM 0 HG1 THR A1148 -19.070 3.950 -1.563 1.00 9.58 H new ATOM 0 HG21 THR A1148 -20.775 2.847 -2.829 1.00 11.01 H new ATOM 0 HG22 THR A1148 -20.284 1.418 -3.769 1.00 11.01 H new ATOM 0 HG23 THR A1148 -20.342 1.338 -1.992 1.00 11.01 H new TER 636 THR A1148 HETATM 637 CA CA A1201 -1.540 -2.711 -5.713 1.00 0.28 CA