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 55:sc= 0.626 USER MOD Set 1.2: A1142 ASN : amide:sc= -0.449 X(o=0.18,f=-0.16) USER MOD Single : A1103 THR OG1 : rot 25:sc= 0.126 USER MOD Single : A1104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1108 SER OG : rot 180:sc= 0.0207 USER MOD Single : A1112 THR OG1 : rot 180:sc= -0.0291 USER MOD Single : A1113 GLN : amide:sc= -1.16 K(o=-1.2,f=-7.2!) USER MOD Single : A1115 THR OG1 : rot -76:sc= 1.45 USER MOD Single : A1118 ASN : amide:sc= 1.13 K(o=1.1,f=-0.072) USER MOD Single : A1119 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A1120 GLN : amide:sc= -1.48! C(o=-1.5!,f=-9.4!) USER MOD Single : A1123 SER OG : rot 180:sc= 0.126 USER MOD Single : A1124 LYS NZ :NH3+ 157:sc= 0.667 (180deg=0.356) USER MOD Single : A1125 ASN : amide:sc= -0.0181 K(o=-0.018,f=-0.74) USER MOD Single : A1130 THR OG1 : rot 6:sc= 1.05 USER MOD Single : A1132 ASN : amide:sc=-0.00302 X(o=-0.003,f=0.031) USER MOD Single : A1138 SER OG : rot -92:sc= 1.96 USER MOD Single : A1141 LYS NZ :NH3+ 163:sc= -0.0269 (180deg=-0.275) USER MOD Single : A1144 ASN : amide:sc= 0.355 K(o=0.36,f=-5.1!) USER MOD Single : A1145 SER OG : rot 180:sc= 0.0588 USER MOD Single : A1146 THR OG1 : rot 180:sc= 0.0137 USER MOD Single : A1148 THR OG1 : rot 180:sc= 0.0398 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A1103 21.745 -10.026 7.966 1.00 12.23 N ATOM 2 CA THR A1103 21.718 -9.277 6.695 1.00 11.73 C ATOM 3 C THR A1103 22.067 -7.810 6.931 1.00 10.83 C ATOM 4 O THR A1103 21.323 -7.082 7.586 1.00 10.67 O ATOM 5 CB THR A1103 20.333 -9.380 6.025 1.00 11.83 C ATOM 6 OG1 THR A1103 19.950 -10.758 5.896 1.00 12.26 O ATOM 7 CG2 THR A1103 20.344 -8.728 4.650 1.00 12.04 C ATOM 0 HA THR A1103 22.461 -9.718 6.031 1.00 11.73 H new ATOM 0 HB THR A1103 19.613 -8.857 6.655 1.00 11.83 H new ATOM 0 HG1 THR A1103 20.408 -11.290 6.579 1.00 12.26 H new ATOM 0 HG21 THR A1103 19.356 -8.814 4.199 1.00 12.04 H new ATOM 0 HG22 THR A1103 20.607 -7.675 4.749 1.00 12.04 H new ATOM 0 HG23 THR A1103 21.077 -9.227 4.016 1.00 12.04 H new ATOM 17 N HIS A1104 23.213 -7.387 6.405 1.00 10.41 N ATOM 18 CA HIS A1104 23.661 -6.005 6.551 1.00 9.72 C ATOM 19 C HIS A1104 23.031 -5.114 5.491 1.00 8.65 C ATOM 20 O HIS A1104 23.063 -3.888 5.601 1.00 8.32 O ATOM 21 CB HIS A1104 25.188 -5.916 6.469 1.00 10.05 C ATOM 22 CG HIS A1104 25.887 -6.368 7.712 1.00 10.43 C ATOM 23 ND1 HIS A1104 26.479 -7.605 7.841 1.00 10.71 N ATOM 24 CD2 HIS A1104 26.097 -5.730 8.888 1.00 10.84 C ATOM 25 CE1 HIS A1104 27.021 -7.708 9.040 1.00 11.25 C ATOM 26 NE2 HIS A1104 26.803 -6.585 9.692 1.00 11.34 N ATOM 0 H HIS A1104 23.849 -7.982 5.873 1.00 10.41 H new ATOM 0 HA HIS A1104 23.342 -5.655 7.533 1.00 9.72 H new ATOM 0 HB2 HIS A1104 25.533 -6.519 5.629 1.00 10.05 H new ATOM 0 HB3 HIS A1104 25.472 -4.885 6.258 1.00 10.05 H new ATOM 0 HD2 HIS A1104 25.769 -4.733 9.144 1.00 10.84 H new ATOM 0 HE1 HIS A1104 27.553 -8.567 9.421 1.00 11.25 H new ATOM 0 HE2 HIS A1104 27.111 -6.384 10.643 1.00 11.34 H new ATOM 35 N ALA A1105 22.471 -5.731 4.463 1.00 8.30 N ATOM 36 CA ALA A1105 21.795 -4.987 3.412 1.00 7.41 C ATOM 37 C ALA A1105 20.381 -4.615 3.851 1.00 6.47 C ATOM 38 O ALA A1105 19.568 -5.491 4.144 1.00 6.54 O ATOM 39 CB ALA A1105 21.756 -5.800 2.126 1.00 7.70 C ATOM 0 H ALA A1105 22.471 -6.743 4.334 1.00 8.30 H new ATOM 0 HA ALA A1105 22.352 -4.069 3.223 1.00 7.41 H new ATOM 0 HB1 ALA A1105 21.247 -5.229 1.350 1.00 7.70 H new ATOM 0 HB2 ALA A1105 22.774 -6.022 1.805 1.00 7.70 H new ATOM 0 HB3 ALA A1105 21.220 -6.733 2.301 1.00 7.70 H new ATOM 45 N PRO A1106 20.076 -3.313 3.911 1.00 5.80 N ATOM 46 CA PRO A1106 18.762 -2.833 4.329 1.00 4.97 C ATOM 47 C PRO A1106 17.746 -2.885 3.193 1.00 4.25 C ATOM 48 O PRO A1106 18.099 -2.712 2.023 1.00 4.22 O ATOM 49 CB PRO A1106 19.040 -1.390 4.739 1.00 4.84 C ATOM 50 CG PRO A1106 20.175 -0.962 3.869 1.00 5.55 C ATOM 51 CD PRO A1106 20.986 -2.203 3.576 1.00 6.09 C ATOM 0 HA PRO A1106 18.329 -3.440 5.124 1.00 4.97 H new ATOM 0 HB2 PRO A1106 18.164 -0.759 4.587 1.00 4.84 H new ATOM 0 HB3 PRO A1106 19.302 -1.322 5.795 1.00 4.84 H new ATOM 0 HG2 PRO A1106 19.808 -0.512 2.946 1.00 5.55 H new ATOM 0 HG3 PRO A1106 20.785 -0.210 4.370 1.00 5.55 H new ATOM 0 HD2 PRO A1106 21.294 -2.241 2.531 1.00 6.09 H new ATOM 0 HD3 PRO A1106 21.895 -2.237 4.177 1.00 6.09 H new ATOM 59 N ALA A1107 16.489 -3.124 3.531 1.00 4.09 N ATOM 60 CA ALA A1107 15.435 -3.200 2.531 1.00 3.77 C ATOM 61 C ALA A1107 14.829 -1.824 2.274 1.00 2.63 C ATOM 62 O ALA A1107 13.634 -1.607 2.482 1.00 2.62 O ATOM 63 CB ALA A1107 14.362 -4.190 2.966 1.00 4.73 C ATOM 0 H ALA A1107 16.173 -3.269 4.490 1.00 4.09 H new ATOM 0 HA ALA A1107 15.873 -3.553 1.597 1.00 3.77 H new ATOM 0 HB1 ALA A1107 13.580 -4.236 2.208 1.00 4.73 H new ATOM 0 HB2 ALA A1107 14.807 -5.178 3.089 1.00 4.73 H new ATOM 0 HB3 ALA A1107 13.930 -3.866 3.913 1.00 4.73 H new ATOM 69 N SER A1108 15.664 -0.889 1.842 1.00 2.16 N ATOM 70 CA SER A1108 15.207 0.451 1.515 1.00 1.43 C ATOM 71 C SER A1108 14.757 0.513 0.059 1.00 1.29 C ATOM 72 O SER A1108 15.377 -0.092 -0.820 1.00 1.97 O ATOM 73 CB SER A1108 16.322 1.461 1.786 1.00 2.09 C ATOM 74 OG SER A1108 17.568 1.005 1.279 1.00 2.97 O ATOM 0 H SER A1108 16.665 -1.036 1.710 1.00 2.16 H new ATOM 0 HA SER A1108 14.353 0.703 2.144 1.00 1.43 H new ATOM 0 HB2 SER A1108 16.069 2.417 1.327 1.00 2.09 H new ATOM 0 HB3 SER A1108 16.405 1.634 2.859 1.00 2.09 H new ATOM 0 HG SER A1108 18.261 1.672 1.466 1.00 2.97 H new ATOM 80 N CYS A1109 13.677 1.233 -0.193 1.00 0.72 N ATOM 81 CA CYS A1109 13.096 1.282 -1.524 1.00 0.49 C ATOM 82 C CYS A1109 13.451 2.580 -2.237 1.00 0.46 C ATOM 83 O CYS A1109 14.111 3.455 -1.675 1.00 0.62 O ATOM 84 CB CYS A1109 11.576 1.130 -1.443 1.00 0.33 C ATOM 85 SG CYS A1109 11.035 -0.337 -0.505 1.00 0.47 S ATOM 0 H CYS A1109 13.185 1.791 0.505 1.00 0.72 H new ATOM 0 HA CYS A1109 13.511 0.455 -2.100 1.00 0.49 H new ATOM 0 HB2 CYS A1109 11.155 2.022 -0.980 1.00 0.33 H new ATOM 0 HB3 CYS A1109 11.171 1.074 -2.453 1.00 0.33 H new ATOM 90 N LEU A1110 13.015 2.684 -3.483 1.00 0.34 N ATOM 91 CA LEU A1110 13.224 3.875 -4.292 1.00 0.32 C ATOM 92 C LEU A1110 12.432 5.049 -3.722 1.00 0.29 C ATOM 93 O LEU A1110 11.542 4.851 -2.893 1.00 0.30 O ATOM 94 CB LEU A1110 12.753 3.590 -5.716 1.00 0.28 C ATOM 95 CG LEU A1110 13.588 4.168 -6.850 1.00 0.38 C ATOM 96 CD1 LEU A1110 14.985 3.563 -6.857 1.00 0.52 C ATOM 97 CD2 LEU A1110 12.884 3.914 -8.172 1.00 0.39 C ATOM 0 H LEU A1110 12.505 1.943 -3.963 1.00 0.34 H new ATOM 0 HA LEU A1110 14.283 4.133 -4.288 1.00 0.32 H new ATOM 0 HB2 LEU A1110 12.706 2.509 -5.847 1.00 0.28 H new ATOM 0 HB3 LEU A1110 11.736 3.968 -5.818 1.00 0.28 H new ATOM 0 HG LEU A1110 13.695 5.243 -6.702 1.00 0.38 H new ATOM 0 HD11 LEU A1110 15.563 3.991 -7.676 1.00 0.52 H new ATOM 0 HD12 LEU A1110 15.480 3.780 -5.911 1.00 0.52 H new ATOM 0 HD13 LEU A1110 14.913 2.483 -6.989 1.00 0.52 H new ATOM 0 HD21 LEU A1110 13.479 4.327 -8.986 1.00 0.39 H new ATOM 0 HD22 LEU A1110 12.762 2.841 -8.319 1.00 0.39 H new ATOM 0 HD23 LEU A1110 11.904 4.392 -8.160 1.00 0.39 H new ATOM 109 N ASP A1111 12.733 6.256 -4.171 1.00 0.35 N ATOM 110 CA ASP A1111 11.992 7.435 -3.731 1.00 0.38 C ATOM 111 C ASP A1111 10.554 7.374 -4.237 1.00 0.32 C ATOM 112 O ASP A1111 9.615 7.751 -3.532 1.00 0.42 O ATOM 113 CB ASP A1111 12.679 8.713 -4.219 1.00 0.51 C ATOM 114 CG ASP A1111 11.937 9.973 -3.816 1.00 1.37 C ATOM 115 OD1 ASP A1111 11.696 10.169 -2.608 1.00 1.53 O ATOM 116 OD2 ASP A1111 11.624 10.791 -4.706 1.00 2.32 O ATOM 0 H ASP A1111 13.481 6.449 -4.837 1.00 0.35 H new ATOM 0 HA ASP A1111 11.976 7.449 -2.641 1.00 0.38 H new ATOM 0 HB2 ASP A1111 13.692 8.750 -3.819 1.00 0.51 H new ATOM 0 HB3 ASP A1111 12.766 8.681 -5.305 1.00 0.51 H new ATOM 121 N THR A1112 10.383 6.874 -5.455 1.00 0.28 N ATOM 122 CA THR A1112 9.058 6.707 -6.032 1.00 0.31 C ATOM 123 C THR A1112 8.496 5.318 -5.736 1.00 0.24 C ATOM 124 O THR A1112 7.411 4.964 -6.201 1.00 0.30 O ATOM 125 CB THR A1112 9.075 6.941 -7.555 1.00 0.42 C ATOM 126 OG1 THR A1112 10.102 6.145 -8.165 1.00 0.45 O ATOM 127 CG2 THR A1112 9.307 8.410 -7.875 1.00 0.52 C ATOM 0 H THR A1112 11.147 6.577 -6.062 1.00 0.28 H new ATOM 0 HA THR A1112 8.414 7.455 -5.569 1.00 0.31 H new ATOM 0 HB THR A1112 8.104 6.647 -7.955 1.00 0.42 H new ATOM 0 HG1 THR A1112 10.104 6.299 -9.133 1.00 0.45 H new ATOM 0 HG21 THR A1112 9.315 8.550 -8.956 1.00 0.52 H new ATOM 0 HG22 THR A1112 8.508 9.008 -7.437 1.00 0.52 H new ATOM 0 HG23 THR A1112 10.265 8.726 -7.461 1.00 0.52 H new ATOM 135 N GLN A1113 9.233 4.530 -4.963 1.00 0.18 N ATOM 136 CA GLN A1113 8.764 3.217 -4.574 1.00 0.17 C ATOM 137 C GLN A1113 8.157 3.224 -3.186 1.00 0.17 C ATOM 138 O GLN A1113 8.512 4.031 -2.329 1.00 0.23 O ATOM 139 CB GLN A1113 9.882 2.188 -4.634 1.00 0.17 C ATOM 140 CG GLN A1113 10.191 1.728 -6.043 1.00 0.23 C ATOM 141 CD GLN A1113 11.136 0.544 -6.076 1.00 0.35 C ATOM 142 OE1 GLN A1113 11.967 0.372 -5.182 1.00 1.02 O ATOM 143 NE2 GLN A1113 11.023 -0.273 -7.107 1.00 0.67 N ATOM 0 H GLN A1113 10.152 4.780 -4.598 1.00 0.18 H new ATOM 0 HA GLN A1113 7.989 2.941 -5.289 1.00 0.17 H new ATOM 0 HB2 GLN A1113 10.783 2.613 -4.191 1.00 0.17 H new ATOM 0 HB3 GLN A1113 9.606 1.325 -4.029 1.00 0.17 H new ATOM 0 HG2 GLN A1113 9.262 1.460 -6.546 1.00 0.23 H new ATOM 0 HG3 GLN A1113 10.630 2.554 -6.603 1.00 0.23 H new ATOM 0 HE21 GLN A1113 10.321 -0.094 -7.825 1.00 0.67 H new ATOM 0 HE22 GLN A1113 11.637 -1.083 -7.185 1.00 0.67 H new ATOM 152 N TYR A1114 7.243 2.299 -2.990 1.00 0.15 N ATOM 153 CA TYR A1114 6.536 2.145 -1.734 1.00 0.16 C ATOM 154 C TYR A1114 7.143 0.985 -0.965 1.00 0.15 C ATOM 155 O TYR A1114 7.640 0.030 -1.566 1.00 0.15 O ATOM 156 CB TYR A1114 5.056 1.877 -2.008 1.00 0.18 C ATOM 157 CG TYR A1114 4.173 1.806 -0.781 1.00 0.22 C ATOM 158 CD1 TYR A1114 3.812 2.961 -0.098 1.00 0.33 C ATOM 159 CD2 TYR A1114 3.719 0.587 -0.293 1.00 0.21 C ATOM 160 CE1 TYR A1114 3.024 2.905 1.034 1.00 0.39 C ATOM 161 CE2 TYR A1114 2.926 0.523 0.838 1.00 0.26 C ATOM 162 CZ TYR A1114 2.518 1.666 1.451 1.00 0.34 C ATOM 163 OH TYR A1114 1.799 1.619 2.630 1.00 0.41 O ATOM 0 H TYR A1114 6.966 1.625 -3.704 1.00 0.15 H new ATOM 0 HA TYR A1114 6.624 3.057 -1.144 1.00 0.16 H new ATOM 0 HB2 TYR A1114 4.677 2.661 -2.663 1.00 0.18 H new ATOM 0 HB3 TYR A1114 4.969 0.937 -2.553 1.00 0.18 H new ATOM 0 HD1 TYR A1114 4.154 3.920 -0.459 1.00 0.33 H new ATOM 0 HD2 TYR A1114 3.990 -0.325 -0.805 1.00 0.21 H new ATOM 0 HE1 TYR A1114 2.800 3.803 1.591 1.00 0.39 H new ATOM 0 HE2 TYR A1114 2.630 -0.437 1.235 1.00 0.26 H new ATOM 0 HH TYR A1114 1.058 2.259 2.587 1.00 0.41 H new ATOM 173 N THR A1115 7.099 1.068 0.346 1.00 0.18 N ATOM 174 CA THR A1115 7.667 0.037 1.191 1.00 0.20 C ATOM 175 C THR A1115 6.564 -0.695 1.939 1.00 0.23 C ATOM 176 O THR A1115 5.979 -0.162 2.886 1.00 0.31 O ATOM 177 CB THR A1115 8.671 0.627 2.201 1.00 0.26 C ATOM 178 OG1 THR A1115 9.604 1.473 1.515 1.00 0.30 O ATOM 179 CG2 THR A1115 9.431 -0.481 2.922 1.00 0.27 C ATOM 0 H THR A1115 6.673 1.843 0.854 1.00 0.18 H new ATOM 0 HA THR A1115 8.199 -0.663 0.547 1.00 0.20 H new ATOM 0 HB THR A1115 8.116 1.207 2.938 1.00 0.26 H new ATOM 0 HG1 THR A1115 10.254 0.920 1.033 1.00 0.30 H new ATOM 0 HG21 THR A1115 10.133 -0.040 3.629 1.00 0.27 H new ATOM 0 HG22 THR A1115 8.726 -1.116 3.459 1.00 0.27 H new ATOM 0 HG23 THR A1115 9.978 -1.080 2.194 1.00 0.27 H new ATOM 187 N CYS A1116 6.267 -1.906 1.491 1.00 0.26 N ATOM 188 CA CYS A1116 5.253 -2.734 2.126 1.00 0.34 C ATOM 189 C CYS A1116 5.618 -3.035 3.573 1.00 0.40 C ATOM 190 O CYS A1116 6.781 -2.892 3.965 1.00 0.37 O ATOM 191 CB CYS A1116 5.071 -4.044 1.355 1.00 0.45 C ATOM 192 SG CYS A1116 4.402 -3.840 -0.323 1.00 0.65 S ATOM 0 H CYS A1116 6.717 -2.339 0.685 1.00 0.26 H new ATOM 0 HA CYS A1116 4.315 -2.179 2.114 1.00 0.34 H new ATOM 0 HB2 CYS A1116 6.034 -4.550 1.290 1.00 0.45 H new ATOM 0 HB3 CYS A1116 4.406 -4.696 1.922 1.00 0.45 H new ATOM 197 N ASP A1117 4.637 -3.443 4.362 1.00 0.56 N ATOM 198 CA ASP A1117 4.864 -3.765 5.766 1.00 0.69 C ATOM 199 C ASP A1117 5.961 -4.821 5.909 1.00 0.65 C ATOM 200 O ASP A1117 6.904 -4.648 6.684 1.00 0.71 O ATOM 201 CB ASP A1117 3.565 -4.244 6.422 1.00 0.93 C ATOM 202 CG ASP A1117 3.768 -4.681 7.857 1.00 1.83 C ATOM 203 OD1 ASP A1117 3.880 -3.806 8.741 1.00 2.62 O ATOM 204 OD2 ASP A1117 3.804 -5.902 8.110 1.00 2.09 O ATOM 0 H ASP A1117 3.671 -3.560 4.055 1.00 0.56 H new ATOM 0 HA ASP A1117 5.195 -2.860 6.276 1.00 0.69 H new ATOM 0 HB2 ASP A1117 2.828 -3.441 6.391 1.00 0.93 H new ATOM 0 HB3 ASP A1117 3.156 -5.075 5.847 1.00 0.93 H new ATOM 209 N ASN A1118 5.862 -5.891 5.124 1.00 0.69 N ATOM 210 CA ASN A1118 6.880 -6.949 5.132 1.00 0.75 C ATOM 211 C ASN A1118 8.118 -6.559 4.320 1.00 0.59 C ATOM 212 O ASN A1118 8.836 -7.423 3.821 1.00 0.65 O ATOM 213 CB ASN A1118 6.313 -8.269 4.594 1.00 0.98 C ATOM 214 CG ASN A1118 5.824 -9.195 5.693 1.00 1.77 C ATOM 215 OD1 ASN A1118 6.597 -9.973 6.251 1.00 2.75 O ATOM 216 ND2 ASN A1118 4.535 -9.149 5.987 1.00 2.02 N ATOM 0 H ASN A1118 5.092 -6.052 4.475 1.00 0.69 H new ATOM 0 HA ASN A1118 7.178 -7.084 6.172 1.00 0.75 H new ATOM 0 HB2 ASN A1118 5.489 -8.054 3.914 1.00 0.98 H new ATOM 0 HB3 ASN A1118 7.081 -8.778 4.012 1.00 0.98 H new ATOM 0 HD21 ASN A1118 4.151 -9.772 6.698 1.00 2.02 H new ATOM 0 HD22 ASN A1118 3.925 -8.490 5.503 1.00 2.02 H new ATOM 223 N HIS A1119 8.350 -5.251 4.194 1.00 0.46 N ATOM 224 CA HIS A1119 9.518 -4.711 3.494 1.00 0.41 C ATOM 225 C HIS A1119 9.588 -5.166 2.041 1.00 0.44 C ATOM 226 O HIS A1119 10.523 -5.856 1.640 1.00 0.79 O ATOM 227 CB HIS A1119 10.818 -5.078 4.217 1.00 0.51 C ATOM 228 CG HIS A1119 11.064 -4.277 5.457 1.00 0.63 C ATOM 229 ND1 HIS A1119 11.091 -4.824 6.718 1.00 0.94 N ATOM 230 CD2 HIS A1119 11.315 -2.957 5.617 1.00 0.78 C ATOM 231 CE1 HIS A1119 11.344 -3.876 7.600 1.00 1.05 C ATOM 232 NE2 HIS A1119 11.486 -2.733 6.959 1.00 0.93 N ATOM 0 H HIS A1119 7.732 -4.535 4.575 1.00 0.46 H new ATOM 0 HA HIS A1119 9.402 -3.627 3.498 1.00 0.41 H new ATOM 0 HB2 HIS A1119 10.792 -6.136 4.478 1.00 0.51 H new ATOM 0 HB3 HIS A1119 11.655 -4.939 3.533 1.00 0.51 H new ATOM 0 HD2 HIS A1119 11.370 -2.217 4.833 1.00 0.78 H new ATOM 0 HE1 HIS A1119 11.422 -4.013 8.668 1.00 1.05 H new ATOM 0 HE2 HIS A1119 11.689 -1.831 7.390 1.00 0.93 H new ATOM 241 N GLN A1120 8.601 -4.768 1.255 1.00 0.40 N ATOM 242 CA GLN A1120 8.623 -5.030 -0.175 1.00 0.38 C ATOM 243 C GLN A1120 8.591 -3.709 -0.927 1.00 0.29 C ATOM 244 O GLN A1120 7.883 -2.787 -0.525 1.00 0.39 O ATOM 245 CB GLN A1120 7.441 -5.900 -0.605 1.00 0.49 C ATOM 246 CG GLN A1120 7.587 -6.424 -2.023 1.00 0.50 C ATOM 247 CD GLN A1120 6.378 -7.192 -2.516 1.00 1.05 C ATOM 248 OE1 GLN A1120 5.645 -7.800 -1.737 1.00 1.91 O ATOM 249 NE2 GLN A1120 6.170 -7.177 -3.826 1.00 1.51 N ATOM 0 H GLN A1120 7.777 -4.264 1.582 1.00 0.40 H new ATOM 0 HA GLN A1120 9.538 -5.573 -0.410 1.00 0.38 H new ATOM 0 HB2 GLN A1120 7.345 -6.741 0.081 1.00 0.49 H new ATOM 0 HB3 GLN A1120 6.521 -5.320 -0.529 1.00 0.49 H new ATOM 0 HG2 GLN A1120 7.772 -5.585 -2.694 1.00 0.50 H new ATOM 0 HG3 GLN A1120 8.463 -7.071 -2.073 1.00 0.50 H new ATOM 0 HE21 GLN A1120 6.802 -6.660 -4.437 1.00 1.51 H new ATOM 0 HE22 GLN A1120 5.378 -7.682 -4.222 1.00 1.51 H new ATOM 258 N CYS A1121 9.353 -3.617 -2.002 1.00 0.21 N ATOM 259 CA CYS A1121 9.452 -2.379 -2.754 1.00 0.21 C ATOM 260 C CYS A1121 8.695 -2.468 -4.071 1.00 0.20 C ATOM 261 O CYS A1121 9.078 -3.209 -4.978 1.00 0.34 O ATOM 262 CB CYS A1121 10.920 -2.040 -3.011 1.00 0.34 C ATOM 263 SG CYS A1121 11.910 -1.880 -1.490 1.00 0.42 S ATOM 0 H CYS A1121 9.912 -4.385 -2.374 1.00 0.21 H new ATOM 0 HA CYS A1121 8.998 -1.586 -2.161 1.00 0.21 H new ATOM 0 HB2 CYS A1121 11.358 -2.815 -3.640 1.00 0.34 H new ATOM 0 HB3 CYS A1121 10.976 -1.106 -3.571 1.00 0.34 H new ATOM 268 N ILE A1122 7.606 -1.720 -4.157 1.00 0.15 N ATOM 269 CA ILE A1122 6.826 -1.614 -5.383 1.00 0.14 C ATOM 270 C ILE A1122 6.718 -0.152 -5.783 1.00 0.14 C ATOM 271 O ILE A1122 7.242 0.707 -5.093 1.00 0.18 O ATOM 272 CB ILE A1122 5.405 -2.188 -5.216 1.00 0.14 C ATOM 273 CG1 ILE A1122 4.654 -1.428 -4.125 1.00 0.13 C ATOM 274 CG2 ILE A1122 5.466 -3.675 -4.894 1.00 0.19 C ATOM 275 CD1 ILE A1122 3.200 -1.816 -4.018 1.00 0.17 C ATOM 0 H ILE A1122 7.237 -1.170 -3.381 1.00 0.15 H new ATOM 0 HA ILE A1122 7.338 -2.193 -6.152 1.00 0.14 H new ATOM 0 HB ILE A1122 4.865 -2.066 -6.155 1.00 0.14 H new ATOM 0 HG12 ILE A1122 5.142 -1.606 -3.167 1.00 0.13 H new ATOM 0 HG13 ILE A1122 4.723 -0.359 -4.324 1.00 0.13 H new ATOM 0 HG21 ILE A1122 4.454 -4.064 -4.779 1.00 0.19 H new ATOM 0 HG22 ILE A1122 5.968 -4.203 -5.705 1.00 0.19 H new ATOM 0 HG23 ILE A1122 6.019 -3.824 -3.967 1.00 0.19 H new ATOM 0 HD11 ILE A1122 2.727 -1.238 -3.224 1.00 0.17 H new ATOM 0 HD12 ILE A1122 2.698 -1.612 -4.964 1.00 0.17 H new ATOM 0 HD13 ILE A1122 3.123 -2.879 -3.789 1.00 0.17 H new ATOM 287 N SER A1123 6.050 0.139 -6.882 1.00 0.16 N ATOM 288 CA SER A1123 5.819 1.524 -7.267 1.00 0.17 C ATOM 289 C SER A1123 4.737 2.139 -6.382 1.00 0.15 C ATOM 290 O SER A1123 3.769 1.472 -6.017 1.00 0.17 O ATOM 291 CB SER A1123 5.404 1.606 -8.738 1.00 0.24 C ATOM 292 OG SER A1123 4.981 2.916 -9.083 1.00 0.33 O ATOM 0 H SER A1123 5.660 -0.554 -7.520 1.00 0.16 H new ATOM 0 HA SER A1123 6.746 2.083 -7.135 1.00 0.17 H new ATOM 0 HB2 SER A1123 6.242 1.314 -9.371 1.00 0.24 H new ATOM 0 HB3 SER A1123 4.597 0.899 -8.930 1.00 0.24 H new ATOM 0 HG SER A1123 4.724 2.938 -10.028 1.00 0.33 H new ATOM 298 N LYS A1124 4.907 3.413 -6.040 1.00 0.17 N ATOM 299 CA LYS A1124 3.924 4.127 -5.229 1.00 0.19 C ATOM 300 C LYS A1124 2.615 4.305 -5.985 1.00 0.22 C ATOM 301 O LYS A1124 1.570 4.563 -5.388 1.00 0.25 O ATOM 302 CB LYS A1124 4.468 5.488 -4.788 1.00 0.23 C ATOM 303 CG LYS A1124 5.468 5.403 -3.647 1.00 0.25 C ATOM 304 CD LYS A1124 6.016 6.772 -3.278 1.00 0.25 C ATOM 305 CE LYS A1124 6.890 6.702 -2.037 1.00 0.30 C ATOM 306 NZ LYS A1124 7.422 8.034 -1.651 1.00 1.24 N ATOM 0 H LYS A1124 5.716 3.972 -6.311 1.00 0.17 H new ATOM 0 HA LYS A1124 3.728 3.526 -4.341 1.00 0.19 H new ATOM 0 HB2 LYS A1124 4.943 5.974 -5.641 1.00 0.23 H new ATOM 0 HB3 LYS A1124 3.635 6.121 -4.483 1.00 0.23 H new ATOM 0 HG2 LYS A1124 4.989 4.956 -2.776 1.00 0.25 H new ATOM 0 HG3 LYS A1124 6.290 4.746 -3.931 1.00 0.25 H new ATOM 0 HD2 LYS A1124 6.595 7.171 -4.111 1.00 0.25 H new ATOM 0 HD3 LYS A1124 5.190 7.462 -3.105 1.00 0.25 H new ATOM 0 HE2 LYS A1124 6.312 6.290 -1.210 1.00 0.30 H new ATOM 0 HE3 LYS A1124 7.720 6.019 -2.217 1.00 0.30 H new ATOM 0 HZ1 LYS A1124 7.667 8.030 -0.640 1.00 1.24 H new ATOM 0 HZ2 LYS A1124 8.272 8.245 -2.213 1.00 1.24 H new ATOM 0 HZ3 LYS A1124 6.700 8.761 -1.829 1.00 1.24 H new ATOM 320 N ASN A1125 2.673 4.160 -7.304 1.00 0.24 N ATOM 321 CA ASN A1125 1.468 4.224 -8.123 1.00 0.28 C ATOM 322 C ASN A1125 0.707 2.902 -8.042 1.00 0.26 C ATOM 323 O ASN A1125 -0.463 2.814 -8.410 1.00 0.32 O ATOM 324 CB ASN A1125 1.828 4.528 -9.578 1.00 0.36 C ATOM 325 CG ASN A1125 0.609 4.816 -10.438 1.00 1.03 C ATOM 326 OD1 ASN A1125 -0.388 5.361 -9.961 1.00 1.75 O ATOM 327 ND2 ASN A1125 0.679 4.451 -11.706 1.00 1.69 N ATOM 0 H ASN A1125 3.534 3.999 -7.826 1.00 0.24 H new ATOM 0 HA ASN A1125 0.833 5.025 -7.744 1.00 0.28 H new ATOM 0 HB2 ASN A1125 2.500 5.385 -9.610 1.00 0.36 H new ATOM 0 HB3 ASN A1125 2.371 3.681 -9.998 1.00 0.36 H new ATOM 0 HD21 ASN A1125 -0.111 4.618 -12.329 1.00 1.69 H new ATOM 0 HD22 ASN A1125 1.523 4.002 -12.062 1.00 1.69 H new ATOM 334 N TRP A1126 1.374 1.879 -7.532 1.00 0.22 N ATOM 335 CA TRP A1126 0.802 0.540 -7.484 1.00 0.22 C ATOM 336 C TRP A1126 0.039 0.317 -6.188 1.00 0.20 C ATOM 337 O TRP A1126 -0.563 -0.734 -5.978 1.00 0.26 O ATOM 338 CB TRP A1126 1.898 -0.513 -7.633 1.00 0.25 C ATOM 339 CG TRP A1126 2.555 -0.516 -8.984 1.00 0.31 C ATOM 340 CD1 TRP A1126 2.310 0.340 -10.022 1.00 0.37 C ATOM 341 CD2 TRP A1126 3.565 -1.421 -9.445 1.00 0.38 C ATOM 342 NE1 TRP A1126 3.103 0.021 -11.095 1.00 0.45 N ATOM 343 CE2 TRP A1126 3.884 -1.055 -10.766 1.00 0.45 C ATOM 344 CE3 TRP A1126 4.234 -2.502 -8.867 1.00 0.44 C ATOM 345 CZ2 TRP A1126 4.839 -1.738 -11.517 1.00 0.54 C ATOM 346 CZ3 TRP A1126 5.180 -3.177 -9.612 1.00 0.55 C ATOM 347 CH2 TRP A1126 5.477 -2.792 -10.925 1.00 0.58 C ATOM 0 H TRP A1126 2.315 1.949 -7.144 1.00 0.22 H new ATOM 0 HA TRP A1126 0.102 0.445 -8.314 1.00 0.22 H new ATOM 0 HB2 TRP A1126 2.658 -0.344 -6.870 1.00 0.25 H new ATOM 0 HB3 TRP A1126 1.471 -1.498 -7.445 1.00 0.25 H new ATOM 0 HD1 TRP A1126 1.596 1.150 -10.000 1.00 0.37 H new ATOM 0 HE1 TRP A1126 3.110 0.506 -11.992 1.00 0.45 H new ATOM 0 HE3 TRP A1126 4.015 -2.805 -7.854 1.00 0.44 H new ATOM 0 HZ2 TRP A1126 5.067 -1.445 -12.531 1.00 0.54 H new ATOM 0 HZ3 TRP A1126 5.700 -4.016 -9.175 1.00 0.55 H new ATOM 0 HH2 TRP A1126 6.225 -3.338 -11.481 1.00 0.58 H new ATOM 358 N VAL A1127 0.077 1.309 -5.322 1.00 0.19 N ATOM 359 CA VAL A1127 -0.638 1.256 -4.054 1.00 0.18 C ATOM 360 C VAL A1127 -2.143 1.384 -4.276 1.00 0.19 C ATOM 361 O VAL A1127 -2.611 2.381 -4.829 1.00 0.23 O ATOM 362 CB VAL A1127 -0.156 2.376 -3.105 1.00 0.21 C ATOM 363 CG1 VAL A1127 -0.894 2.332 -1.775 1.00 0.24 C ATOM 364 CG2 VAL A1127 1.343 2.277 -2.886 1.00 0.24 C ATOM 0 H VAL A1127 0.600 2.172 -5.472 1.00 0.19 H new ATOM 0 HA VAL A1127 -0.429 0.290 -3.595 1.00 0.18 H new ATOM 0 HB VAL A1127 -0.379 3.333 -3.577 1.00 0.21 H new ATOM 0 HG11 VAL A1127 -0.531 3.133 -1.131 1.00 0.24 H new ATOM 0 HG12 VAL A1127 -1.963 2.461 -1.947 1.00 0.24 H new ATOM 0 HG13 VAL A1127 -0.718 1.371 -1.293 1.00 0.24 H new ATOM 0 HG21 VAL A1127 1.666 3.073 -2.215 1.00 0.24 H new ATOM 0 HG22 VAL A1127 1.583 1.310 -2.444 1.00 0.24 H new ATOM 0 HG23 VAL A1127 1.858 2.377 -3.842 1.00 0.24 H new ATOM 374 N CYS A1128 -2.885 0.361 -3.850 1.00 0.19 N ATOM 375 CA CYS A1128 -4.339 0.328 -4.000 1.00 0.26 C ATOM 376 C CYS A1128 -4.718 0.408 -5.478 1.00 0.27 C ATOM 377 O CYS A1128 -5.543 1.224 -5.887 1.00 0.37 O ATOM 378 CB CYS A1128 -4.998 1.469 -3.209 1.00 0.32 C ATOM 379 SG CYS A1128 -6.827 1.446 -3.230 1.00 0.58 S ATOM 0 H CYS A1128 -2.497 -0.464 -3.393 1.00 0.19 H new ATOM 0 HA CYS A1128 -4.706 -0.616 -3.596 1.00 0.26 H new ATOM 0 HB2 CYS A1128 -4.658 1.421 -2.174 1.00 0.32 H new ATOM 0 HB3 CYS A1128 -4.654 2.421 -3.614 1.00 0.32 H new ATOM 384 N ASP A1129 -4.099 -0.442 -6.279 1.00 0.25 N ATOM 385 CA ASP A1129 -4.353 -0.451 -7.714 1.00 0.30 C ATOM 386 C ASP A1129 -5.032 -1.752 -8.126 1.00 0.37 C ATOM 387 O ASP A1129 -5.127 -2.063 -9.310 1.00 0.41 O ATOM 388 CB ASP A1129 -3.046 -0.273 -8.490 1.00 0.31 C ATOM 389 CG ASP A1129 -2.260 -1.561 -8.622 1.00 0.35 C ATOM 390 OD1 ASP A1129 -2.124 -2.297 -7.617 1.00 0.31 O ATOM 391 OD2 ASP A1129 -1.772 -1.839 -9.736 1.00 0.46 O ATOM 0 H ASP A1129 -3.419 -1.134 -5.964 1.00 0.25 H new ATOM 0 HA ASP A1129 -5.016 0.381 -7.950 1.00 0.30 H new ATOM 0 HB2 ASP A1129 -3.269 0.114 -9.484 1.00 0.31 H new ATOM 0 HB3 ASP A1129 -2.430 0.473 -7.988 1.00 0.31 H new ATOM 396 N THR A1130 -5.477 -2.506 -7.122 1.00 0.45 N ATOM 397 CA THR A1130 -6.173 -3.787 -7.302 1.00 0.56 C ATOM 398 C THR A1130 -5.311 -4.815 -8.038 1.00 0.61 C ATOM 399 O THR A1130 -5.826 -5.765 -8.632 1.00 0.73 O ATOM 400 CB THR A1130 -7.551 -3.642 -8.006 1.00 0.59 C ATOM 401 OG1 THR A1130 -7.419 -3.102 -9.329 1.00 0.56 O ATOM 402 CG2 THR A1130 -8.479 -2.755 -7.189 1.00 0.65 C ATOM 0 H THR A1130 -5.364 -2.243 -6.143 1.00 0.45 H new ATOM 0 HA THR A1130 -6.360 -4.152 -6.292 1.00 0.56 H new ATOM 0 HB THR A1130 -7.977 -4.642 -8.085 1.00 0.59 H new ATOM 0 HG1 THR A1130 -6.469 -3.020 -9.556 1.00 0.56 H new ATOM 0 HG21 THR A1130 -9.439 -2.666 -7.698 1.00 0.65 H new ATOM 0 HG22 THR A1130 -8.631 -3.197 -6.204 1.00 0.65 H new ATOM 0 HG23 THR A1130 -8.033 -1.766 -7.079 1.00 0.65 H new ATOM 410 N ASP A1131 -3.999 -4.634 -7.983 1.00 0.59 N ATOM 411 CA ASP A1131 -3.074 -5.593 -8.566 1.00 0.69 C ATOM 412 C ASP A1131 -2.136 -6.130 -7.498 1.00 0.67 C ATOM 413 O ASP A1131 -1.682 -5.378 -6.617 1.00 0.53 O ATOM 414 CB ASP A1131 -2.265 -4.963 -9.700 1.00 0.75 C ATOM 415 CG ASP A1131 -1.379 -5.973 -10.402 1.00 0.92 C ATOM 416 OD1 ASP A1131 -0.242 -6.200 -9.944 1.00 0.92 O ATOM 417 OD2 ASP A1131 -1.824 -6.556 -11.414 1.00 1.21 O ATOM 0 H ASP A1131 -3.552 -3.831 -7.540 1.00 0.59 H new ATOM 0 HA ASP A1131 -3.658 -6.415 -8.980 1.00 0.69 H new ATOM 0 HB2 ASP A1131 -2.946 -4.514 -10.424 1.00 0.75 H new ATOM 0 HB3 ASP A1131 -1.649 -4.158 -9.300 1.00 0.75 H new ATOM 422 N ASN A1132 -1.846 -7.426 -7.580 1.00 0.94 N ATOM 423 CA ASN A1132 -1.009 -8.096 -6.593 1.00 1.00 C ATOM 424 C ASN A1132 0.469 -7.895 -6.909 1.00 0.91 C ATOM 425 O ASN A1132 1.196 -8.840 -7.224 1.00 1.06 O ATOM 426 CB ASN A1132 -1.335 -9.591 -6.533 1.00 1.29 C ATOM 427 CG ASN A1132 -0.720 -10.268 -5.322 1.00 1.72 C ATOM 428 OD1 ASN A1132 0.410 -10.756 -5.367 1.00 2.58 O ATOM 429 ND2 ASN A1132 -1.462 -10.308 -4.229 1.00 2.07 N ATOM 0 H ASN A1132 -2.182 -8.035 -8.326 1.00 0.94 H new ATOM 0 HA ASN A1132 -1.219 -7.653 -5.619 1.00 1.00 H new ATOM 0 HB2 ASN A1132 -2.417 -9.724 -6.510 1.00 1.29 H new ATOM 0 HB3 ASN A1132 -0.973 -10.076 -7.440 1.00 1.29 H new ATOM 0 HD21 ASN A1132 -1.103 -10.754 -3.385 1.00 2.07 H new ATOM 0 HD22 ASN A1132 -2.394 -9.893 -4.230 1.00 2.07 H new ATOM 436 N ASP A1133 0.889 -6.648 -6.876 1.00 0.86 N ATOM 437 CA ASP A1133 2.297 -6.302 -6.955 1.00 0.77 C ATOM 438 C ASP A1133 2.977 -6.703 -5.659 1.00 0.78 C ATOM 439 O ASP A1133 3.904 -7.516 -5.649 1.00 1.28 O ATOM 440 CB ASP A1133 2.462 -4.796 -7.200 1.00 0.67 C ATOM 441 CG ASP A1133 1.304 -3.996 -6.649 1.00 0.58 C ATOM 442 OD1 ASP A1133 1.072 -4.030 -5.433 1.00 1.00 O ATOM 443 OD2 ASP A1133 0.641 -3.276 -7.414 1.00 1.09 O ATOM 0 H ASP A1133 0.266 -5.844 -6.794 1.00 0.86 H new ATOM 0 HA ASP A1133 2.757 -6.834 -7.787 1.00 0.77 H new ATOM 0 HB2 ASP A1133 3.389 -4.454 -6.739 1.00 0.67 H new ATOM 0 HB3 ASP A1133 2.552 -4.612 -8.271 1.00 0.67 H new ATOM 448 N CYS A1134 2.484 -6.147 -4.570 1.00 0.76 N ATOM 449 CA CYS A1134 2.974 -6.473 -3.248 1.00 0.78 C ATOM 450 C CYS A1134 2.348 -7.776 -2.760 1.00 0.85 C ATOM 451 O CYS A1134 1.125 -7.889 -2.651 1.00 1.57 O ATOM 452 CB CYS A1134 2.649 -5.332 -2.284 1.00 0.82 C ATOM 453 SG CYS A1134 3.328 -5.539 -0.609 1.00 1.16 S ATOM 0 H CYS A1134 1.733 -5.457 -4.578 1.00 0.76 H new ATOM 0 HA CYS A1134 4.055 -6.605 -3.289 1.00 0.78 H new ATOM 0 HB2 CYS A1134 3.029 -4.400 -2.703 1.00 0.82 H new ATOM 0 HB3 CYS A1134 1.566 -5.231 -2.213 1.00 0.82 H new ATOM 458 N GLY A1135 3.192 -8.760 -2.477 1.00 1.17 N ATOM 459 CA GLY A1135 2.714 -10.035 -1.982 1.00 1.22 C ATOM 460 C GLY A1135 2.286 -9.939 -0.535 1.00 1.18 C ATOM 461 O GLY A1135 1.511 -10.759 -0.044 1.00 1.68 O ATOM 0 H GLY A1135 4.205 -8.696 -2.582 1.00 1.17 H new ATOM 0 HA2 GLY A1135 1.874 -10.371 -2.590 1.00 1.22 H new ATOM 0 HA3 GLY A1135 3.500 -10.784 -2.082 1.00 1.22 H new ATOM 465 N ASP A1136 2.801 -8.924 0.142 1.00 1.02 N ATOM 466 CA ASP A1136 2.417 -8.638 1.516 1.00 1.11 C ATOM 467 C ASP A1136 1.030 -7.997 1.549 1.00 0.93 C ATOM 468 O ASP A1136 0.298 -8.107 2.532 1.00 1.35 O ATOM 469 CB ASP A1136 3.465 -7.729 2.157 1.00 1.44 C ATOM 470 CG ASP A1136 3.096 -7.250 3.546 1.00 2.10 C ATOM 471 OD1 ASP A1136 2.648 -8.084 4.352 1.00 2.47 O ATOM 472 OD2 ASP A1136 3.231 -6.044 3.833 1.00 2.85 O ATOM 0 H ASP A1136 3.492 -8.279 -0.242 1.00 1.02 H new ATOM 0 HA ASP A1136 2.369 -9.565 2.087 1.00 1.11 H new ATOM 0 HB2 ASP A1136 4.413 -8.264 2.208 1.00 1.44 H new ATOM 0 HB3 ASP A1136 3.622 -6.863 1.514 1.00 1.44 H new ATOM 477 N GLY A1137 0.683 -7.329 0.452 1.00 0.62 N ATOM 478 CA GLY A1137 -0.662 -6.807 0.272 1.00 0.49 C ATOM 479 C GLY A1137 -0.965 -5.601 1.134 1.00 0.36 C ATOM 480 O GLY A1137 -2.127 -5.208 1.271 1.00 0.36 O ATOM 0 H GLY A1137 1.317 -7.138 -0.324 1.00 0.62 H new ATOM 0 HA2 GLY A1137 -0.801 -6.539 -0.775 1.00 0.49 H new ATOM 0 HA3 GLY A1137 -1.381 -7.594 0.498 1.00 0.49 H new ATOM 484 N SER A1138 0.064 -4.999 1.706 1.00 0.32 N ATOM 485 CA SER A1138 -0.131 -3.849 2.570 1.00 0.28 C ATOM 486 C SER A1138 -0.344 -2.581 1.752 1.00 0.25 C ATOM 487 O SER A1138 -0.824 -1.574 2.271 1.00 0.40 O ATOM 488 CB SER A1138 1.051 -3.699 3.525 1.00 0.33 C ATOM 489 OG SER A1138 2.276 -3.902 2.850 1.00 0.44 O ATOM 0 H SER A1138 1.036 -5.285 1.589 1.00 0.32 H new ATOM 0 HA SER A1138 -1.031 -4.011 3.163 1.00 0.28 H new ATOM 0 HB2 SER A1138 1.038 -2.705 3.972 1.00 0.33 H new ATOM 0 HB3 SER A1138 0.958 -4.416 4.340 1.00 0.33 H new ATOM 0 HG SER A1138 2.536 -4.844 2.920 1.00 0.44 H new ATOM 495 N ASP A1139 -0.014 -2.645 0.469 1.00 0.18 N ATOM 496 CA ASP A1139 -0.243 -1.525 -0.433 1.00 0.18 C ATOM 497 C ASP A1139 -1.731 -1.411 -0.739 1.00 0.20 C ATOM 498 O ASP A1139 -2.273 -0.316 -0.875 1.00 0.29 O ATOM 499 CB ASP A1139 0.537 -1.711 -1.735 1.00 0.19 C ATOM 500 CG ASP A1139 -0.097 -2.741 -2.650 1.00 0.26 C ATOM 501 OD1 ASP A1139 -0.132 -3.933 -2.277 1.00 0.33 O ATOM 502 OD2 ASP A1139 -0.590 -2.355 -3.730 1.00 0.32 O ATOM 0 H ASP A1139 0.413 -3.461 0.030 1.00 0.18 H new ATOM 0 HA ASP A1139 0.103 -0.612 0.051 1.00 0.18 H new ATOM 0 HB2 ASP A1139 0.600 -0.756 -2.257 1.00 0.19 H new ATOM 0 HB3 ASP A1139 1.558 -2.015 -1.503 1.00 0.19 H new ATOM 507 N GLU A1140 -2.391 -2.557 -0.829 1.00 0.22 N ATOM 508 CA GLU A1140 -3.813 -2.596 -1.116 1.00 0.27 C ATOM 509 C GLU A1140 -4.610 -2.302 0.149 1.00 0.31 C ATOM 510 O GLU A1140 -5.703 -1.740 0.089 1.00 0.44 O ATOM 511 CB GLU A1140 -4.206 -3.962 -1.686 1.00 0.29 C ATOM 512 CG GLU A1140 -3.570 -4.284 -3.034 1.00 0.29 C ATOM 513 CD GLU A1140 -3.975 -3.316 -4.133 1.00 0.28 C ATOM 514 OE1 GLU A1140 -5.172 -2.976 -4.226 1.00 0.38 O ATOM 515 OE2 GLU A1140 -3.095 -2.897 -4.919 1.00 0.28 O ATOM 0 H GLU A1140 -1.960 -3.473 -0.707 1.00 0.22 H new ATOM 0 HA GLU A1140 -4.040 -1.833 -1.860 1.00 0.27 H new ATOM 0 HB2 GLU A1140 -3.926 -4.736 -0.971 1.00 0.29 H new ATOM 0 HB3 GLU A1140 -5.290 -4.001 -1.790 1.00 0.29 H new ATOM 0 HG2 GLU A1140 -2.485 -4.271 -2.929 1.00 0.29 H new ATOM 0 HG3 GLU A1140 -3.850 -5.296 -3.328 1.00 0.29 H new ATOM 522 N LYS A1141 -4.050 -2.673 1.298 1.00 0.30 N ATOM 523 CA LYS A1141 -4.715 -2.434 2.573 1.00 0.37 C ATOM 524 C LYS A1141 -4.595 -0.963 2.959 1.00 0.49 C ATOM 525 O LYS A1141 -5.470 -0.408 3.626 1.00 0.57 O ATOM 526 CB LYS A1141 -4.128 -3.326 3.678 1.00 0.47 C ATOM 527 CG LYS A1141 -2.937 -2.723 4.410 1.00 0.57 C ATOM 528 CD LYS A1141 -2.404 -3.660 5.476 1.00 0.76 C ATOM 529 CE LYS A1141 -1.316 -2.999 6.301 1.00 0.91 C ATOM 530 NZ LYS A1141 -1.833 -1.851 7.092 1.00 1.55 N ATOM 0 H LYS A1141 -3.144 -3.137 1.371 1.00 0.30 H new ATOM 0 HA LYS A1141 -5.769 -2.687 2.461 1.00 0.37 H new ATOM 0 HB2 LYS A1141 -4.911 -3.546 4.404 1.00 0.47 H new ATOM 0 HB3 LYS A1141 -3.825 -4.276 3.238 1.00 0.47 H new ATOM 0 HG2 LYS A1141 -2.146 -2.497 3.695 1.00 0.57 H new ATOM 0 HG3 LYS A1141 -3.231 -1.779 4.869 1.00 0.57 H new ATOM 0 HD2 LYS A1141 -3.219 -3.972 6.129 1.00 0.76 H new ATOM 0 HD3 LYS A1141 -2.010 -4.561 5.006 1.00 0.76 H new ATOM 0 HE2 LYS A1141 -0.876 -3.734 6.975 1.00 0.91 H new ATOM 0 HE3 LYS A1141 -0.520 -2.655 5.641 1.00 0.91 H new ATOM 0 HZ1 LYS A1141 -1.154 -1.613 7.843 1.00 1.55 H new ATOM 0 HZ2 LYS A1141 -1.962 -1.029 6.468 1.00 1.55 H new ATOM 0 HZ3 LYS A1141 -2.746 -2.107 7.520 1.00 1.55 H new ATOM 544 N ASN A1142 -3.512 -0.333 2.514 1.00 0.60 N ATOM 545 CA ASN A1142 -3.270 1.083 2.779 1.00 0.81 C ATOM 546 C ASN A1142 -4.113 1.940 1.838 1.00 0.91 C ATOM 547 O ASN A1142 -3.603 2.774 1.091 1.00 1.44 O ATOM 548 CB ASN A1142 -1.777 1.404 2.618 1.00 1.07 C ATOM 549 CG ASN A1142 -1.414 2.828 3.015 1.00 1.37 C ATOM 550 OD1 ASN A1142 -0.501 3.428 2.443 1.00 2.05 O ATOM 551 ND2 ASN A1142 -2.107 3.374 4.003 1.00 1.92 N ATOM 0 H ASN A1142 -2.782 -0.785 1.963 1.00 0.60 H new ATOM 0 HA ASN A1142 -3.559 1.309 3.805 1.00 0.81 H new ATOM 0 HB2 ASN A1142 -1.197 0.708 3.224 1.00 1.07 H new ATOM 0 HB3 ASN A1142 -1.489 1.240 1.580 1.00 1.07 H new ATOM 0 HD21 ASN A1142 -1.892 4.321 4.314 1.00 1.92 H new ATOM 0 HD22 ASN A1142 -2.856 2.847 4.453 1.00 1.92 H new ATOM 558 N CYS A1143 -5.412 1.704 1.865 1.00 0.76 N ATOM 559 CA CYS A1143 -6.341 2.433 1.022 1.00 0.99 C ATOM 560 C CYS A1143 -7.614 2.737 1.804 1.00 1.29 C ATOM 561 O CYS A1143 -8.612 3.199 1.250 1.00 1.67 O ATOM 562 CB CYS A1143 -6.659 1.601 -0.219 1.00 0.93 C ATOM 563 SG CYS A1143 -7.360 2.543 -1.608 1.00 1.10 S ATOM 0 H CYS A1143 -5.850 1.007 2.467 1.00 0.76 H new ATOM 0 HA CYS A1143 -5.893 3.376 0.709 1.00 0.99 H new ATOM 0 HB2 CYS A1143 -5.745 1.111 -0.555 1.00 0.93 H new ATOM 0 HB3 CYS A1143 -7.360 0.813 0.058 1.00 0.93 H new ATOM 568 N ASN A1144 -7.559 2.488 3.106 1.00 1.87 N ATOM 569 CA ASN A1144 -8.699 2.701 3.987 1.00 2.36 C ATOM 570 C ASN A1144 -8.643 4.102 4.582 1.00 3.05 C ATOM 571 O ASN A1144 -9.451 4.461 5.439 1.00 3.73 O ATOM 572 CB ASN A1144 -8.720 1.650 5.107 1.00 3.11 C ATOM 573 CG ASN A1144 -7.485 1.706 5.994 1.00 3.87 C ATOM 574 OD1 ASN A1144 -6.397 2.074 5.548 1.00 4.27 O ATOM 575 ND2 ASN A1144 -7.641 1.328 7.250 1.00 4.59 N ATOM 0 H ASN A1144 -6.727 2.134 3.579 1.00 1.87 H new ATOM 0 HA ASN A1144 -9.614 2.600 3.403 1.00 2.36 H new ATOM 0 HB2 ASN A1144 -9.609 1.798 5.720 1.00 3.11 H new ATOM 0 HB3 ASN A1144 -8.799 0.657 4.665 1.00 3.11 H new ATOM 0 HD21 ASN A1144 -6.845 1.334 7.887 1.00 4.59 H new ATOM 0 HD22 ASN A1144 -8.558 1.030 7.583 1.00 4.59 H new ATOM 582 N SER A1145 -7.680 4.882 4.117 1.00 3.53 N ATOM 583 CA SER A1145 -7.511 6.248 4.568 1.00 4.69 C ATOM 584 C SER A1145 -8.546 7.158 3.916 1.00 5.23 C ATOM 585 O SER A1145 -8.999 6.901 2.794 1.00 5.32 O ATOM 586 CB SER A1145 -6.092 6.717 4.243 1.00 5.40 C ATOM 587 OG SER A1145 -5.726 6.331 2.928 1.00 5.26 O ATOM 0 H SER A1145 -6.998 4.585 3.419 1.00 3.53 H new ATOM 0 HA SER A1145 -7.661 6.293 5.647 1.00 4.69 H new ATOM 0 HB2 SER A1145 -6.031 7.801 4.340 1.00 5.40 H new ATOM 0 HB3 SER A1145 -5.390 6.293 4.961 1.00 5.40 H new ATOM 0 HG SER A1145 -4.816 6.641 2.737 1.00 5.26 H new ATOM 593 N THR A1146 -8.918 8.219 4.613 1.00 5.97 N ATOM 594 CA THR A1146 -9.938 9.131 4.126 1.00 6.81 C ATOM 595 C THR A1146 -9.339 10.241 3.264 1.00 7.34 C ATOM 596 O THR A1146 -9.811 11.379 3.274 1.00 8.15 O ATOM 597 CB THR A1146 -10.732 9.745 5.295 1.00 7.69 C ATOM 598 OG1 THR A1146 -9.827 10.225 6.298 1.00 7.92 O ATOM 599 CG2 THR A1146 -11.677 8.719 5.903 1.00 7.74 C ATOM 0 H THR A1146 -8.527 8.470 5.521 1.00 5.97 H new ATOM 0 HA THR A1146 -10.617 8.548 3.504 1.00 6.81 H new ATOM 0 HB THR A1146 -11.324 10.576 4.912 1.00 7.69 H new ATOM 0 HG1 THR A1146 -10.337 10.616 7.038 1.00 7.92 H new ATOM 0 HG21 THR A1146 -12.227 9.174 6.726 1.00 7.74 H new ATOM 0 HG22 THR A1146 -12.379 8.376 5.143 1.00 7.74 H new ATOM 0 HG23 THR A1146 -11.102 7.871 6.276 1.00 7.74 H new ATOM 607 N GLU A1147 -8.294 9.900 2.516 1.00 7.13 N ATOM 608 CA GLU A1147 -7.677 10.826 1.586 1.00 7.94 C ATOM 609 C GLU A1147 -8.412 10.798 0.247 1.00 8.95 C ATOM 610 O GLU A1147 -8.007 11.468 -0.703 1.00 9.87 O ATOM 611 CB GLU A1147 -6.207 10.468 1.386 1.00 7.79 C ATOM 612 CG GLU A1147 -5.335 11.685 1.157 1.00 7.90 C ATOM 613 CD GLU A1147 -3.889 11.336 0.874 1.00 8.00 C ATOM 614 OE1 GLU A1147 -3.111 11.170 1.837 1.00 8.23 O ATOM 615 OE2 GLU A1147 -3.521 11.225 -0.313 1.00 8.08 O ATOM 0 H GLU A1147 -7.857 8.979 2.540 1.00 7.13 H new ATOM 0 HA GLU A1147 -7.741 11.832 1.999 1.00 7.94 H new ATOM 0 HB2 GLU A1147 -5.847 9.927 2.261 1.00 7.79 H new ATOM 0 HB3 GLU A1147 -6.114 9.794 0.534 1.00 7.79 H new ATOM 0 HG2 GLU A1147 -5.734 12.258 0.320 1.00 7.90 H new ATOM 0 HG3 GLU A1147 -5.382 12.328 2.036 1.00 7.90 H new ATOM 622 N THR A1148 -9.471 9.992 0.184 1.00 8.94 N ATOM 623 CA THR A1148 -10.297 9.855 -1.013 1.00 10.03 C ATOM 624 C THR A1148 -10.648 11.224 -1.599 1.00 10.71 C ATOM 625 O THR A1148 -11.450 11.964 -1.020 1.00 11.12 O ATOM 626 CB THR A1148 -11.594 9.100 -0.676 1.00 10.21 C ATOM 627 OG1 THR A1148 -11.295 7.993 0.184 1.00 9.58 O ATOM 628 CG2 THR A1148 -12.275 8.590 -1.935 1.00 11.01 C ATOM 0 H THR A1148 -9.781 9.414 0.965 1.00 8.94 H new ATOM 0 HA THR A1148 -9.725 9.294 -1.752 1.00 10.03 H new ATOM 0 HB THR A1148 -12.271 9.792 -0.174 1.00 10.21 H new ATOM 0 HG1 THR A1148 -12.122 7.514 0.400 1.00 9.58 H new ATOM 0 HG21 THR A1148 -13.189 8.061 -1.665 1.00 11.01 H new ATOM 0 HG22 THR A1148 -12.521 9.432 -2.582 1.00 11.01 H new ATOM 0 HG23 THR A1148 -11.604 7.911 -2.462 1.00 11.01 H new TER 636 THR A1148 HETATM 637 CA CA A1201 -1.033 -3.027 -5.795 1.00 0.28 CA