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: A1123 SER OG : rot -172:sc= 1.07 USER MOD Set 1.2: A1125 ASN : amide:sc= 0.865 K(o=1.9,f=0.48) USER MOD Set 2.1: A1114 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A1142 ASN : amide:sc= 0.0121 X(o=0.012,f=-0.0077) USER MOD Single : A1103 THR OG1 : rot 38:sc= 0.165 USER MOD Single : A1104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1108 SER OG : rot 49:sc= 0.158 USER MOD Single : A1112 THR OG1 : rot 180:sc= -0.0864 USER MOD Single : A1113 GLN : amide:sc= -5.2! C(o=-5.2!,f=-9.7!) USER MOD Single : A1115 THR OG1 : rot -54:sc= 1.37 USER MOD Single : A1118 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.45) USER MOD Single : A1119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1120 GLN : amide:sc= -1.17 K(o=-1.2,f=-5.9!) USER MOD Single : A1124 LYS NZ :NH3+ 168:sc= 1.29 (180deg=1.05) USER MOD Single : A1130 THR OG1 : rot 6:sc= 1.12 USER MOD Single : A1132 ASN : amide:sc= 0.0188 X(o=0.019,f=0) USER MOD Single : A1138 SER OG : rot -101:sc= 1.59 USER MOD Single : A1141 LYS NZ :NH3+ 134:sc= -0.0685 (180deg=-0.361) USER MOD Single : A1144 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A1145 SER OG : rot 180:sc= 0 USER MOD Single : A1146 THR OG1 : rot 61:sc= 0.294 USER MOD Single : A1148 THR OG1 : rot -71:sc= 0.719 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A1103 25.302 -0.498 12.915 1.00 12.23 N ATOM 2 CA THR A1103 23.990 0.151 12.732 1.00 11.73 C ATOM 3 C THR A1103 23.252 -0.452 11.538 1.00 10.83 C ATOM 4 O THR A1103 23.641 -0.244 10.386 1.00 10.67 O ATOM 5 CB THR A1103 24.158 1.668 12.516 1.00 11.83 C ATOM 6 OG1 THR A1103 24.952 2.224 13.575 1.00 12.26 O ATOM 7 CG2 THR A1103 22.806 2.371 12.467 1.00 12.04 C ATOM 0 HA THR A1103 23.406 -0.018 13.636 1.00 11.73 H new ATOM 0 HB THR A1103 24.658 1.821 11.560 1.00 11.83 H new ATOM 0 HG1 THR A1103 25.667 1.597 13.812 1.00 12.26 H new ATOM 0 HG21 THR A1103 22.957 3.440 12.314 1.00 12.04 H new ATOM 0 HG22 THR A1103 22.215 1.966 11.645 1.00 12.04 H new ATOM 0 HG23 THR A1103 22.278 2.210 13.407 1.00 12.04 H new ATOM 17 N HIS A1104 22.199 -1.213 11.818 1.00 10.41 N ATOM 18 CA HIS A1104 21.390 -1.812 10.764 1.00 9.72 C ATOM 19 C HIS A1104 20.503 -0.764 10.112 1.00 8.65 C ATOM 20 O HIS A1104 19.921 0.083 10.789 1.00 8.32 O ATOM 21 CB HIS A1104 20.534 -2.957 11.310 1.00 10.05 C ATOM 22 CG HIS A1104 21.293 -4.230 11.520 1.00 10.43 C ATOM 23 ND1 HIS A1104 21.876 -4.579 12.718 1.00 10.71 N ATOM 24 CD2 HIS A1104 21.553 -5.249 10.669 1.00 10.84 C ATOM 25 CE1 HIS A1104 22.460 -5.755 12.596 1.00 11.25 C ATOM 26 NE2 HIS A1104 22.279 -6.185 11.361 1.00 11.34 N ATOM 0 H HIS A1104 21.887 -1.429 12.765 1.00 10.41 H new ATOM 0 HA HIS A1104 22.068 -2.218 10.013 1.00 9.72 H new ATOM 0 HB2 HIS A1104 20.091 -2.648 12.257 1.00 10.05 H new ATOM 0 HB3 HIS A1104 19.711 -3.145 10.620 1.00 10.05 H new ATOM 0 HD2 HIS A1104 21.246 -5.314 9.636 1.00 10.84 H new ATOM 0 HE1 HIS A1104 22.996 -6.278 13.375 1.00 11.25 H new ATOM 0 HE2 HIS A1104 22.623 -7.068 10.983 1.00 11.34 H new ATOM 35 N ALA A1105 20.414 -0.825 8.797 1.00 8.30 N ATOM 36 CA ALA A1105 19.653 0.149 8.041 1.00 7.41 C ATOM 37 C ALA A1105 18.283 -0.402 7.656 1.00 6.47 C ATOM 38 O ALA A1105 18.164 -1.554 7.232 1.00 6.54 O ATOM 39 CB ALA A1105 20.428 0.547 6.799 1.00 7.70 C ATOM 0 H ALA A1105 20.862 -1.543 8.228 1.00 8.30 H new ATOM 0 HA ALA A1105 19.495 1.027 8.667 1.00 7.41 H new ATOM 0 HB1 ALA A1105 19.854 1.280 6.231 1.00 7.70 H new ATOM 0 HB2 ALA A1105 21.384 0.982 7.090 1.00 7.70 H new ATOM 0 HB3 ALA A1105 20.603 -0.334 6.182 1.00 7.70 H new ATOM 45 N PRO A1106 17.228 0.412 7.823 1.00 5.80 N ATOM 46 CA PRO A1106 15.873 0.064 7.376 1.00 4.97 C ATOM 47 C PRO A1106 15.801 -0.121 5.861 1.00 4.25 C ATOM 48 O PRO A1106 16.732 0.236 5.133 1.00 4.22 O ATOM 49 CB PRO A1106 15.029 1.274 7.800 1.00 4.84 C ATOM 50 CG PRO A1106 15.832 1.962 8.847 1.00 5.55 C ATOM 51 CD PRO A1106 17.267 1.726 8.483 1.00 6.09 C ATOM 0 HA PRO A1106 15.533 -0.879 7.805 1.00 4.97 H new ATOM 0 HB2 PRO A1106 14.835 1.935 6.955 1.00 4.84 H new ATOM 0 HB3 PRO A1106 14.060 0.961 8.189 1.00 4.84 H new ATOM 0 HG2 PRO A1106 15.606 3.028 8.875 1.00 5.55 H new ATOM 0 HG3 PRO A1106 15.609 1.562 9.836 1.00 5.55 H new ATOM 0 HD2 PRO A1106 17.647 2.501 7.818 1.00 6.09 H new ATOM 0 HD3 PRO A1106 17.911 1.717 9.363 1.00 6.09 H new ATOM 59 N ALA A1107 14.696 -0.682 5.390 1.00 4.09 N ATOM 60 CA ALA A1107 14.507 -0.926 3.969 1.00 3.77 C ATOM 61 C ALA A1107 14.082 0.351 3.256 1.00 2.63 C ATOM 62 O ALA A1107 12.891 0.631 3.114 1.00 2.62 O ATOM 63 CB ALA A1107 13.476 -2.024 3.755 1.00 4.73 C ATOM 0 H ALA A1107 13.914 -0.977 5.975 1.00 4.09 H new ATOM 0 HA ALA A1107 15.457 -1.253 3.546 1.00 3.77 H new ATOM 0 HB1 ALA A1107 13.344 -2.196 2.687 1.00 4.73 H new ATOM 0 HB2 ALA A1107 13.819 -2.943 4.231 1.00 4.73 H new ATOM 0 HB3 ALA A1107 12.525 -1.721 4.193 1.00 4.73 H new ATOM 69 N SER A1108 15.058 1.135 2.832 1.00 2.16 N ATOM 70 CA SER A1108 14.788 2.370 2.124 1.00 1.43 C ATOM 71 C SER A1108 14.621 2.112 0.630 1.00 1.29 C ATOM 72 O SER A1108 15.601 2.012 -0.110 1.00 1.97 O ATOM 73 CB SER A1108 15.913 3.375 2.384 1.00 2.09 C ATOM 74 OG SER A1108 17.192 2.780 2.204 1.00 2.97 O ATOM 0 H SER A1108 16.049 0.935 2.968 1.00 2.16 H new ATOM 0 HA SER A1108 13.853 2.790 2.494 1.00 1.43 H new ATOM 0 HB2 SER A1108 15.807 4.225 1.709 1.00 2.09 H new ATOM 0 HB3 SER A1108 15.830 3.762 3.400 1.00 2.09 H new ATOM 0 HG SER A1108 17.213 2.301 1.349 1.00 2.97 H new ATOM 80 N CYS A1109 13.375 1.984 0.194 1.00 0.72 N ATOM 81 CA CYS A1109 13.076 1.776 -1.215 1.00 0.49 C ATOM 82 C CYS A1109 13.230 3.081 -1.994 1.00 0.46 C ATOM 83 O CYS A1109 13.696 4.086 -1.450 1.00 0.62 O ATOM 84 CB CYS A1109 11.660 1.216 -1.377 1.00 0.33 C ATOM 85 SG CYS A1109 11.322 -0.264 -0.361 1.00 0.47 S ATOM 0 H CYS A1109 12.554 2.021 0.798 1.00 0.72 H new ATOM 0 HA CYS A1109 13.784 1.053 -1.619 1.00 0.49 H new ATOM 0 HB2 CYS A1109 10.942 1.993 -1.117 1.00 0.33 H new ATOM 0 HB3 CYS A1109 11.497 0.968 -2.426 1.00 0.33 H new ATOM 90 N LEU A1110 12.851 3.059 -3.262 1.00 0.34 N ATOM 91 CA LEU A1110 12.966 4.229 -4.127 1.00 0.32 C ATOM 92 C LEU A1110 12.133 5.386 -3.587 1.00 0.29 C ATOM 93 O LEU A1110 11.232 5.180 -2.771 1.00 0.30 O ATOM 94 CB LEU A1110 12.479 3.873 -5.526 1.00 0.28 C ATOM 95 CG LEU A1110 13.074 4.670 -6.683 1.00 0.38 C ATOM 96 CD1 LEU A1110 14.575 4.438 -6.789 1.00 0.52 C ATOM 97 CD2 LEU A1110 12.376 4.285 -7.979 1.00 0.39 C ATOM 0 H LEU A1110 12.457 2.237 -3.721 1.00 0.34 H new ATOM 0 HA LEU A1110 14.012 4.535 -4.159 1.00 0.32 H new ATOM 0 HB2 LEU A1110 12.685 2.817 -5.699 1.00 0.28 H new ATOM 0 HB3 LEU A1110 11.396 3.995 -5.550 1.00 0.28 H new ATOM 0 HG LEU A1110 12.917 5.732 -6.496 1.00 0.38 H new ATOM 0 HD11 LEU A1110 14.975 5.017 -7.621 1.00 0.52 H new ATOM 0 HD12 LEU A1110 15.058 4.752 -5.864 1.00 0.52 H new ATOM 0 HD13 LEU A1110 14.768 3.379 -6.958 1.00 0.52 H new ATOM 0 HD21 LEU A1110 12.802 4.855 -8.805 1.00 0.39 H new ATOM 0 HD22 LEU A1110 12.514 3.220 -8.164 1.00 0.39 H new ATOM 0 HD23 LEU A1110 11.311 4.504 -7.898 1.00 0.39 H new ATOM 109 N ASP A1111 12.422 6.593 -4.046 1.00 0.35 N ATOM 110 CA ASP A1111 11.647 7.765 -3.650 1.00 0.38 C ATOM 111 C ASP A1111 10.205 7.605 -4.108 1.00 0.32 C ATOM 112 O ASP A1111 9.262 7.945 -3.391 1.00 0.42 O ATOM 113 CB ASP A1111 12.240 9.037 -4.258 1.00 0.51 C ATOM 114 CG ASP A1111 13.724 9.166 -3.999 1.00 1.37 C ATOM 115 OD1 ASP A1111 14.109 9.721 -2.948 1.00 1.53 O ATOM 116 OD2 ASP A1111 14.517 8.699 -4.845 1.00 2.32 O ATOM 0 H ASP A1111 13.186 6.790 -4.692 1.00 0.35 H new ATOM 0 HA ASP A1111 11.680 7.851 -2.564 1.00 0.38 H new ATOM 0 HB2 ASP A1111 12.061 9.040 -5.333 1.00 0.51 H new ATOM 0 HB3 ASP A1111 11.726 9.906 -3.847 1.00 0.51 H new ATOM 121 N THR A1112 10.047 7.059 -5.305 1.00 0.28 N ATOM 122 CA THR A1112 8.737 6.838 -5.886 1.00 0.31 C ATOM 123 C THR A1112 8.257 5.403 -5.660 1.00 0.24 C ATOM 124 O THR A1112 7.227 4.989 -6.193 1.00 0.30 O ATOM 125 CB THR A1112 8.767 7.143 -7.390 1.00 0.42 C ATOM 126 OG1 THR A1112 9.924 6.538 -7.979 1.00 0.45 O ATOM 127 CG2 THR A1112 8.790 8.643 -7.643 1.00 0.52 C ATOM 0 H THR A1112 10.822 6.759 -5.896 1.00 0.28 H new ATOM 0 HA THR A1112 8.038 7.512 -5.391 1.00 0.31 H new ATOM 0 HB THR A1112 7.864 6.733 -7.842 1.00 0.42 H new ATOM 0 HG1 THR A1112 9.941 6.732 -8.939 1.00 0.45 H new ATOM 0 HG21 THR A1112 8.811 8.831 -8.717 1.00 0.52 H new ATOM 0 HG22 THR A1112 7.898 9.098 -7.212 1.00 0.52 H new ATOM 0 HG23 THR A1112 9.677 9.076 -7.181 1.00 0.52 H new ATOM 135 N GLN A1113 9.009 4.640 -4.875 1.00 0.18 N ATOM 136 CA GLN A1113 8.598 3.297 -4.502 1.00 0.17 C ATOM 137 C GLN A1113 7.994 3.271 -3.104 1.00 0.17 C ATOM 138 O GLN A1113 8.210 4.179 -2.300 1.00 0.23 O ATOM 139 CB GLN A1113 9.780 2.338 -4.556 1.00 0.17 C ATOM 140 CG GLN A1113 10.079 1.798 -5.942 1.00 0.23 C ATOM 141 CD GLN A1113 11.208 0.788 -5.917 1.00 0.35 C ATOM 142 OE1 GLN A1113 11.462 0.170 -4.896 1.00 1.02 O ATOM 143 NE2 GLN A1113 11.879 0.596 -7.036 1.00 0.67 N ATOM 0 H GLN A1113 9.906 4.931 -4.486 1.00 0.18 H new ATOM 0 HA GLN A1113 7.840 2.979 -5.218 1.00 0.17 H new ATOM 0 HB2 GLN A1113 10.666 2.849 -4.178 1.00 0.17 H new ATOM 0 HB3 GLN A1113 9.585 1.501 -3.886 1.00 0.17 H new ATOM 0 HG2 GLN A1113 9.183 1.332 -6.353 1.00 0.23 H new ATOM 0 HG3 GLN A1113 10.342 2.622 -6.605 1.00 0.23 H new ATOM 0 HE21 GLN A1113 11.640 1.130 -7.872 1.00 0.67 H new ATOM 0 HE22 GLN A1113 12.637 -0.086 -7.066 1.00 0.67 H new ATOM 152 N TYR A1114 7.245 2.219 -2.830 1.00 0.15 N ATOM 153 CA TYR A1114 6.620 2.018 -1.535 1.00 0.16 C ATOM 154 C TYR A1114 7.226 0.802 -0.846 1.00 0.15 C ATOM 155 O TYR A1114 7.735 -0.104 -1.506 1.00 0.15 O ATOM 156 CB TYR A1114 5.112 1.820 -1.704 1.00 0.18 C ATOM 157 CG TYR A1114 4.359 1.637 -0.400 1.00 0.22 C ATOM 158 CD1 TYR A1114 4.266 2.667 0.526 1.00 0.33 C ATOM 159 CD2 TYR A1114 3.751 0.423 -0.097 1.00 0.21 C ATOM 160 CE1 TYR A1114 3.588 2.494 1.717 1.00 0.39 C ATOM 161 CE2 TYR A1114 3.069 0.244 1.091 1.00 0.26 C ATOM 162 CZ TYR A1114 2.993 1.281 1.995 1.00 0.34 C ATOM 163 OH TYR A1114 2.325 1.107 3.187 1.00 0.41 O ATOM 0 H TYR A1114 7.052 1.476 -3.502 1.00 0.15 H new ATOM 0 HA TYR A1114 6.796 2.901 -0.920 1.00 0.16 H new ATOM 0 HB2 TYR A1114 4.701 2.681 -2.230 1.00 0.18 H new ATOM 0 HB3 TYR A1114 4.940 0.948 -2.335 1.00 0.18 H new ATOM 0 HD1 TYR A1114 4.731 3.618 0.312 1.00 0.33 H new ATOM 0 HD2 TYR A1114 3.813 -0.393 -0.802 1.00 0.21 H new ATOM 0 HE1 TYR A1114 3.524 3.305 2.427 1.00 0.39 H new ATOM 0 HE2 TYR A1114 2.598 -0.703 1.310 1.00 0.26 H new ATOM 0 HH TYR A1114 1.962 0.198 3.229 1.00 0.41 H new ATOM 173 N THR A1115 7.165 0.794 0.471 1.00 0.18 N ATOM 174 CA THR A1115 7.657 -0.320 1.261 1.00 0.20 C ATOM 175 C THR A1115 6.486 -1.066 1.895 1.00 0.23 C ATOM 176 O THR A1115 5.845 -0.561 2.818 1.00 0.31 O ATOM 177 CB THR A1115 8.604 0.164 2.372 1.00 0.26 C ATOM 178 OG1 THR A1115 9.534 1.118 1.840 1.00 0.30 O ATOM 179 CG2 THR A1115 9.366 -1.004 2.986 1.00 0.27 C ATOM 0 H THR A1115 6.774 1.557 1.024 1.00 0.18 H new ATOM 0 HA THR A1115 8.207 -0.985 0.595 1.00 0.20 H new ATOM 0 HB THR A1115 8.003 0.634 3.151 1.00 0.26 H new ATOM 0 HG1 THR A1115 9.990 0.732 1.063 1.00 0.30 H new ATOM 0 HG21 THR A1115 10.029 -0.635 3.769 1.00 0.27 H new ATOM 0 HG22 THR A1115 8.659 -1.715 3.414 1.00 0.27 H new ATOM 0 HG23 THR A1115 9.956 -1.499 2.215 1.00 0.27 H new ATOM 187 N CYS A1116 6.194 -2.253 1.383 1.00 0.26 N ATOM 188 CA CYS A1116 5.092 -3.057 1.900 1.00 0.34 C ATOM 189 C CYS A1116 5.455 -3.717 3.231 1.00 0.40 C ATOM 190 O CYS A1116 6.594 -3.609 3.690 1.00 0.37 O ATOM 191 CB CYS A1116 4.689 -4.115 0.872 1.00 0.45 C ATOM 192 SG CYS A1116 3.912 -3.426 -0.623 1.00 0.65 S ATOM 0 H CYS A1116 6.704 -2.682 0.610 1.00 0.26 H new ATOM 0 HA CYS A1116 4.246 -2.393 2.081 1.00 0.34 H new ATOM 0 HB2 CYS A1116 5.573 -4.682 0.582 1.00 0.45 H new ATOM 0 HB3 CYS A1116 3.998 -4.817 1.339 1.00 0.45 H new ATOM 197 N ASP A1117 4.500 -4.409 3.845 1.00 0.56 N ATOM 198 CA ASP A1117 4.731 -5.062 5.137 1.00 0.69 C ATOM 199 C ASP A1117 5.807 -6.138 5.012 1.00 0.65 C ATOM 200 O ASP A1117 6.538 -6.421 5.961 1.00 0.71 O ATOM 201 CB ASP A1117 3.434 -5.680 5.681 1.00 0.93 C ATOM 202 CG ASP A1117 3.060 -6.987 5.003 1.00 1.83 C ATOM 203 OD1 ASP A1117 2.804 -6.975 3.782 1.00 2.09 O ATOM 204 OD2 ASP A1117 3.034 -8.031 5.687 1.00 2.62 O ATOM 0 H ASP A1117 3.559 -4.534 3.472 1.00 0.56 H new ATOM 0 HA ASP A1117 5.073 -4.301 5.838 1.00 0.69 H new ATOM 0 HB2 ASP A1117 3.543 -5.853 6.752 1.00 0.93 H new ATOM 0 HB3 ASP A1117 2.619 -4.967 5.555 1.00 0.93 H new ATOM 209 N ASN A1118 5.917 -6.710 3.822 1.00 0.69 N ATOM 210 CA ASN A1118 6.913 -7.736 3.544 1.00 0.75 C ATOM 211 C ASN A1118 8.263 -7.094 3.218 1.00 0.59 C ATOM 212 O ASN A1118 9.201 -7.768 2.797 1.00 0.65 O ATOM 213 CB ASN A1118 6.440 -8.602 2.380 1.00 0.98 C ATOM 214 CG ASN A1118 7.191 -9.918 2.263 1.00 1.77 C ATOM 215 OD1 ASN A1118 8.208 -10.010 1.578 1.00 2.75 O ATOM 216 ND2 ASN A1118 6.683 -10.950 2.919 1.00 2.02 N ATOM 0 H ASN A1118 5.323 -6.478 3.026 1.00 0.69 H new ATOM 0 HA ASN A1118 7.038 -8.362 4.427 1.00 0.75 H new ATOM 0 HB2 ASN A1118 5.376 -8.808 2.499 1.00 0.98 H new ATOM 0 HB3 ASN A1118 6.554 -8.043 1.451 1.00 0.98 H new ATOM 0 HD21 ASN A1118 7.138 -11.862 2.866 1.00 2.02 H new ATOM 0 HD22 ASN A1118 5.837 -10.833 3.477 1.00 2.02 H new ATOM 223 N HIS A1119 8.350 -5.779 3.432 1.00 0.46 N ATOM 224 CA HIS A1119 9.542 -5.000 3.092 1.00 0.41 C ATOM 225 C HIS A1119 9.786 -5.035 1.590 1.00 0.44 C ATOM 226 O HIS A1119 10.914 -4.883 1.122 1.00 0.79 O ATOM 227 CB HIS A1119 10.778 -5.503 3.850 1.00 0.51 C ATOM 228 CG HIS A1119 10.762 -5.180 5.312 1.00 0.63 C ATOM 229 ND1 HIS A1119 10.320 -6.058 6.278 1.00 0.94 N ATOM 230 CD2 HIS A1119 11.143 -4.062 5.971 1.00 0.78 C ATOM 231 CE1 HIS A1119 10.429 -5.493 7.465 1.00 1.05 C ATOM 232 NE2 HIS A1119 10.928 -4.281 7.308 1.00 0.93 N ATOM 0 H HIS A1119 7.599 -5.226 3.844 1.00 0.46 H new ATOM 0 HA HIS A1119 9.365 -3.968 3.397 1.00 0.41 H new ATOM 0 HB2 HIS A1119 10.854 -6.583 3.727 1.00 0.51 H new ATOM 0 HB3 HIS A1119 11.671 -5.068 3.401 1.00 0.51 H new ATOM 0 HD2 HIS A1119 11.543 -3.163 5.526 1.00 0.78 H new ATOM 0 HE1 HIS A1119 10.156 -5.946 8.407 1.00 1.05 H new ATOM 0 HE2 HIS A1119 11.122 -3.617 8.057 1.00 0.93 H new ATOM 241 N GLN A1120 8.706 -5.227 0.844 1.00 0.40 N ATOM 242 CA GLN A1120 8.776 -5.301 -0.605 1.00 0.38 C ATOM 243 C GLN A1120 8.706 -3.902 -1.201 1.00 0.29 C ATOM 244 O GLN A1120 7.837 -3.111 -0.831 1.00 0.39 O ATOM 245 CB GLN A1120 7.629 -6.166 -1.138 1.00 0.49 C ATOM 246 CG GLN A1120 7.647 -6.372 -2.646 1.00 0.50 C ATOM 247 CD GLN A1120 8.809 -7.227 -3.121 1.00 1.05 C ATOM 248 OE1 GLN A1120 9.895 -7.217 -2.537 1.00 1.91 O ATOM 249 NE2 GLN A1120 8.586 -7.977 -4.185 1.00 1.51 N ATOM 0 H GLN A1120 7.766 -5.335 1.224 1.00 0.40 H new ATOM 0 HA GLN A1120 9.723 -5.757 -0.895 1.00 0.38 H new ATOM 0 HB2 GLN A1120 7.667 -7.140 -0.650 1.00 0.49 H new ATOM 0 HB3 GLN A1120 6.682 -5.705 -0.857 1.00 0.49 H new ATOM 0 HG2 GLN A1120 6.711 -6.839 -2.953 1.00 0.50 H new ATOM 0 HG3 GLN A1120 7.695 -5.401 -3.138 1.00 0.50 H new ATOM 0 HE21 GLN A1120 7.674 -7.958 -4.641 1.00 1.51 H new ATOM 0 HE22 GLN A1120 9.326 -8.576 -4.551 1.00 1.51 H new ATOM 258 N CYS A1121 9.628 -3.598 -2.101 1.00 0.21 N ATOM 259 CA CYS A1121 9.667 -2.294 -2.739 1.00 0.21 C ATOM 260 C CYS A1121 8.927 -2.316 -4.074 1.00 0.20 C ATOM 261 O CYS A1121 9.441 -2.818 -5.077 1.00 0.34 O ATOM 262 CB CYS A1121 11.115 -1.847 -2.949 1.00 0.34 C ATOM 263 SG CYS A1121 12.119 -1.799 -1.426 1.00 0.42 S ATOM 0 H CYS A1121 10.360 -4.239 -2.406 1.00 0.21 H new ATOM 0 HA CYS A1121 9.168 -1.582 -2.082 1.00 0.21 H new ATOM 0 HB2 CYS A1121 11.590 -2.521 -3.662 1.00 0.34 H new ATOM 0 HB3 CYS A1121 11.114 -0.855 -3.400 1.00 0.34 H new ATOM 268 N ILE A1122 7.712 -1.787 -4.076 1.00 0.15 N ATOM 269 CA ILE A1122 6.920 -1.672 -5.296 1.00 0.14 C ATOM 270 C ILE A1122 6.785 -0.214 -5.699 1.00 0.14 C ATOM 271 O ILE A1122 7.203 0.670 -4.968 1.00 0.18 O ATOM 272 CB ILE A1122 5.508 -2.255 -5.129 1.00 0.14 C ATOM 273 CG1 ILE A1122 4.785 -1.557 -3.976 1.00 0.13 C ATOM 274 CG2 ILE A1122 5.582 -3.758 -4.909 1.00 0.19 C ATOM 275 CD1 ILE A1122 3.331 -1.945 -3.852 1.00 0.17 C ATOM 0 H ILE A1122 7.249 -1.428 -3.241 1.00 0.15 H new ATOM 0 HA ILE A1122 7.446 -2.239 -6.064 1.00 0.14 H new ATOM 0 HB ILE A1122 4.937 -2.079 -6.041 1.00 0.14 H new ATOM 0 HG12 ILE A1122 5.296 -1.792 -3.042 1.00 0.13 H new ATOM 0 HG13 ILE A1122 4.854 -0.478 -4.115 1.00 0.13 H new ATOM 0 HG21 ILE A1122 4.575 -4.159 -4.792 1.00 0.19 H new ATOM 0 HG22 ILE A1122 6.062 -4.228 -5.767 1.00 0.19 H new ATOM 0 HG23 ILE A1122 6.162 -3.966 -4.010 1.00 0.19 H new ATOM 0 HD11 ILE A1122 2.882 -1.412 -3.014 1.00 0.17 H new ATOM 0 HD12 ILE A1122 2.805 -1.685 -4.771 1.00 0.17 H new ATOM 0 HD13 ILE A1122 3.254 -3.019 -3.682 1.00 0.17 H new ATOM 287 N SER A1123 6.197 0.032 -6.854 1.00 0.16 N ATOM 288 CA SER A1123 5.924 1.393 -7.287 1.00 0.17 C ATOM 289 C SER A1123 4.788 1.986 -6.462 1.00 0.15 C ATOM 290 O SER A1123 3.817 1.297 -6.145 1.00 0.17 O ATOM 291 CB SER A1123 5.548 1.406 -8.772 1.00 0.24 C ATOM 292 OG SER A1123 4.938 2.633 -9.143 1.00 0.33 O ATOM 0 H SER A1123 5.899 -0.690 -7.510 1.00 0.16 H new ATOM 0 HA SER A1123 6.821 1.995 -7.141 1.00 0.17 H new ATOM 0 HB2 SER A1123 6.441 1.245 -9.376 1.00 0.24 H new ATOM 0 HB3 SER A1123 4.867 0.581 -8.983 1.00 0.24 H new ATOM 0 HG SER A1123 4.597 2.565 -10.059 1.00 0.33 H new ATOM 298 N LYS A1124 4.905 3.269 -6.123 1.00 0.17 N ATOM 299 CA LYS A1124 3.845 3.967 -5.405 1.00 0.19 C ATOM 300 C LYS A1124 2.594 4.078 -6.270 1.00 0.22 C ATOM 301 O LYS A1124 1.504 4.348 -5.768 1.00 0.25 O ATOM 302 CB LYS A1124 4.295 5.361 -4.961 1.00 0.23 C ATOM 303 CG LYS A1124 5.170 5.358 -3.717 1.00 0.25 C ATOM 304 CD LYS A1124 5.651 6.759 -3.367 1.00 0.25 C ATOM 305 CE LYS A1124 6.455 6.769 -2.076 1.00 0.30 C ATOM 306 NZ LYS A1124 7.048 8.105 -1.797 1.00 1.24 N ATOM 0 H LYS A1124 5.721 3.843 -6.334 1.00 0.17 H new ATOM 0 HA LYS A1124 3.613 3.383 -4.515 1.00 0.19 H new ATOM 0 HB2 LYS A1124 4.842 5.833 -5.777 1.00 0.23 H new ATOM 0 HB3 LYS A1124 3.414 5.974 -4.772 1.00 0.23 H new ATOM 0 HG2 LYS A1124 4.610 4.945 -2.878 1.00 0.25 H new ATOM 0 HG3 LYS A1124 6.029 4.707 -3.878 1.00 0.25 H new ATOM 0 HD2 LYS A1124 6.263 7.148 -4.181 1.00 0.25 H new ATOM 0 HD3 LYS A1124 4.793 7.424 -3.267 1.00 0.25 H new ATOM 0 HE2 LYS A1124 5.811 6.478 -1.246 1.00 0.30 H new ATOM 0 HE3 LYS A1124 7.250 6.026 -2.139 1.00 0.30 H new ATOM 0 HZ1 LYS A1124 7.411 8.127 -0.823 1.00 1.24 H new ATOM 0 HZ2 LYS A1124 7.828 8.284 -2.461 1.00 1.24 H new ATOM 0 HZ3 LYS A1124 6.320 8.839 -1.912 1.00 1.24 H new ATOM 320 N ASN A1125 2.756 3.859 -7.574 1.00 0.24 N ATOM 321 CA ASN A1125 1.623 3.872 -8.491 1.00 0.28 C ATOM 322 C ASN A1125 0.842 2.571 -8.365 1.00 0.26 C ATOM 323 O ASN A1125 -0.344 2.506 -8.687 1.00 0.32 O ATOM 324 CB ASN A1125 2.089 4.059 -9.941 1.00 0.36 C ATOM 325 CG ASN A1125 2.896 5.327 -10.147 1.00 1.03 C ATOM 326 OD1 ASN A1125 2.343 6.395 -10.402 1.00 1.75 O ATOM 327 ND2 ASN A1125 4.214 5.217 -10.063 1.00 1.69 N ATOM 0 H ASN A1125 3.656 3.672 -8.015 1.00 0.24 H new ATOM 0 HA ASN A1125 0.980 4.712 -8.227 1.00 0.28 H new ATOM 0 HB2 ASN A1125 2.691 3.200 -10.237 1.00 0.36 H new ATOM 0 HB3 ASN A1125 1.218 4.079 -10.597 1.00 0.36 H new ATOM 0 HD21 ASN A1125 4.805 6.035 -10.212 1.00 1.69 H new ATOM 0 HD22 ASN A1125 4.638 4.314 -9.849 1.00 1.69 H new ATOM 334 N TRP A1126 1.513 1.538 -7.865 1.00 0.22 N ATOM 335 CA TRP A1126 0.902 0.222 -7.723 1.00 0.22 C ATOM 336 C TRP A1126 0.163 0.119 -6.398 1.00 0.20 C ATOM 337 O TRP A1126 -0.568 -0.836 -6.151 1.00 0.26 O ATOM 338 CB TRP A1126 1.962 -0.880 -7.810 1.00 0.25 C ATOM 339 CG TRP A1126 2.654 -0.963 -9.139 1.00 0.31 C ATOM 340 CD1 TRP A1126 2.346 -0.270 -10.276 1.00 0.37 C ATOM 341 CD2 TRP A1126 3.771 -1.797 -9.470 1.00 0.38 C ATOM 342 NE1 TRP A1126 3.207 -0.617 -11.287 1.00 0.45 N ATOM 343 CE2 TRP A1126 4.090 -1.554 -10.819 1.00 0.45 C ATOM 344 CE3 TRP A1126 4.533 -2.726 -8.756 1.00 0.44 C ATOM 345 CZ2 TRP A1126 5.140 -2.204 -11.465 1.00 0.54 C ATOM 346 CZ3 TRP A1126 5.573 -3.370 -9.397 1.00 0.55 C ATOM 347 CH2 TRP A1126 5.868 -3.105 -10.741 1.00 0.58 C ATOM 0 H TRP A1126 2.482 1.588 -7.551 1.00 0.22 H new ATOM 0 HA TRP A1126 0.191 0.091 -8.539 1.00 0.22 H new ATOM 0 HB2 TRP A1126 2.709 -0.713 -7.034 1.00 0.25 H new ATOM 0 HB3 TRP A1126 1.491 -1.840 -7.598 1.00 0.25 H new ATOM 0 HD1 TRP A1126 1.543 0.446 -10.366 1.00 0.37 H new ATOM 0 HE1 TRP A1126 3.192 -0.238 -12.234 1.00 0.45 H new ATOM 0 HE3 TRP A1126 4.312 -2.937 -7.720 1.00 0.44 H new ATOM 0 HZ2 TRP A1126 5.370 -2.003 -12.501 1.00 0.54 H new ATOM 0 HZ3 TRP A1126 6.168 -4.089 -8.854 1.00 0.55 H new ATOM 0 HH2 TRP A1126 6.688 -3.624 -11.214 1.00 0.58 H new ATOM 358 N VAL A1127 0.371 1.104 -5.545 1.00 0.19 N ATOM 359 CA VAL A1127 -0.293 1.151 -4.252 1.00 0.18 C ATOM 360 C VAL A1127 -1.781 1.432 -4.421 1.00 0.19 C ATOM 361 O VAL A1127 -2.164 2.443 -5.016 1.00 0.23 O ATOM 362 CB VAL A1127 0.338 2.229 -3.342 1.00 0.21 C ATOM 363 CG1 VAL A1127 -0.383 2.314 -2.004 1.00 0.24 C ATOM 364 CG2 VAL A1127 1.816 1.947 -3.134 1.00 0.24 C ATOM 0 H VAL A1127 0.998 1.888 -5.724 1.00 0.19 H new ATOM 0 HA VAL A1127 -0.165 0.177 -3.780 1.00 0.18 H new ATOM 0 HB VAL A1127 0.232 3.193 -3.840 1.00 0.21 H new ATOM 0 HG11 VAL A1127 0.085 3.081 -1.387 1.00 0.24 H new ATOM 0 HG12 VAL A1127 -1.429 2.570 -2.170 1.00 0.24 H new ATOM 0 HG13 VAL A1127 -0.321 1.352 -1.496 1.00 0.24 H new ATOM 0 HG21 VAL A1127 2.246 2.715 -2.491 1.00 0.24 H new ATOM 0 HG22 VAL A1127 1.938 0.971 -2.665 1.00 0.24 H new ATOM 0 HG23 VAL A1127 2.327 1.953 -4.097 1.00 0.24 H new ATOM 374 N CYS A1128 -2.605 0.515 -3.918 1.00 0.19 N ATOM 375 CA CYS A1128 -4.058 0.654 -3.972 1.00 0.26 C ATOM 376 C CYS A1128 -4.536 0.636 -5.422 1.00 0.27 C ATOM 377 O CYS A1128 -5.300 1.500 -5.862 1.00 0.37 O ATOM 378 CB CYS A1128 -4.499 1.944 -3.269 1.00 0.32 C ATOM 379 SG CYS A1128 -6.299 2.094 -3.010 1.00 0.58 S ATOM 0 H CYS A1128 -2.286 -0.341 -3.464 1.00 0.19 H new ATOM 0 HA CYS A1128 -4.511 -0.189 -3.450 1.00 0.26 H new ATOM 0 HB2 CYS A1128 -4.000 2.003 -2.302 1.00 0.32 H new ATOM 0 HB3 CYS A1128 -4.158 2.797 -3.856 1.00 0.32 H new ATOM 384 N ASP A1129 -4.072 -0.356 -6.164 1.00 0.25 N ATOM 385 CA ASP A1129 -4.418 -0.481 -7.573 1.00 0.30 C ATOM 386 C ASP A1129 -5.251 -1.736 -7.804 1.00 0.37 C ATOM 387 O ASP A1129 -5.421 -2.178 -8.937 1.00 0.41 O ATOM 388 CB ASP A1129 -3.151 -0.530 -8.432 1.00 0.31 C ATOM 389 CG ASP A1129 -2.492 -1.897 -8.429 1.00 0.35 C ATOM 390 OD1 ASP A1129 -2.339 -2.496 -7.337 1.00 0.31 O ATOM 391 OD2 ASP A1129 -2.122 -2.374 -9.523 1.00 0.46 O ATOM 0 H ASP A1129 -3.454 -1.088 -5.815 1.00 0.25 H new ATOM 0 HA ASP A1129 -5.005 0.391 -7.862 1.00 0.30 H new ATOM 0 HB2 ASP A1129 -3.401 -0.254 -9.456 1.00 0.31 H new ATOM 0 HB3 ASP A1129 -2.441 0.212 -8.067 1.00 0.31 H new ATOM 396 N THR A1130 -5.759 -2.296 -6.709 1.00 0.45 N ATOM 397 CA THR A1130 -6.558 -3.526 -6.713 1.00 0.56 C ATOM 398 C THR A1130 -5.805 -4.701 -7.343 1.00 0.61 C ATOM 399 O THR A1130 -6.409 -5.604 -7.924 1.00 0.73 O ATOM 400 CB THR A1130 -7.951 -3.356 -7.384 1.00 0.59 C ATOM 401 OG1 THR A1130 -7.837 -3.031 -8.777 1.00 0.56 O ATOM 402 CG2 THR A1130 -8.754 -2.275 -6.680 1.00 0.65 C ATOM 0 H THR A1130 -5.627 -1.904 -5.777 1.00 0.45 H new ATOM 0 HA THR A1130 -6.734 -3.752 -5.661 1.00 0.56 H new ATOM 0 HB THR A1130 -8.466 -4.312 -7.296 1.00 0.59 H new ATOM 0 HG1 THR A1130 -6.896 -3.075 -9.047 1.00 0.56 H new ATOM 0 HG21 THR A1130 -9.725 -2.170 -7.163 1.00 0.65 H new ATOM 0 HG22 THR A1130 -8.896 -2.550 -5.635 1.00 0.65 H new ATOM 0 HG23 THR A1130 -8.217 -1.328 -6.736 1.00 0.65 H new ATOM 410 N ASP A1131 -4.481 -4.683 -7.223 1.00 0.59 N ATOM 411 CA ASP A1131 -3.655 -5.794 -7.676 1.00 0.69 C ATOM 412 C ASP A1131 -2.632 -6.151 -6.607 1.00 0.67 C ATOM 413 O ASP A1131 -2.068 -5.264 -5.949 1.00 0.53 O ATOM 414 CB ASP A1131 -2.940 -5.446 -8.982 1.00 0.75 C ATOM 415 CG ASP A1131 -2.238 -6.642 -9.597 1.00 0.92 C ATOM 416 OD1 ASP A1131 -1.105 -6.956 -9.175 1.00 0.92 O ATOM 417 OD2 ASP A1131 -2.807 -7.277 -10.506 1.00 1.21 O ATOM 0 H ASP A1131 -3.957 -3.909 -6.815 1.00 0.59 H new ATOM 0 HA ASP A1131 -4.304 -6.651 -7.856 1.00 0.69 H new ATOM 0 HB2 ASP A1131 -3.663 -5.048 -9.694 1.00 0.75 H new ATOM 0 HB3 ASP A1131 -2.211 -4.658 -8.794 1.00 0.75 H new ATOM 422 N ASN A1132 -2.398 -7.444 -6.436 1.00 0.94 N ATOM 423 CA ASN A1132 -1.463 -7.933 -5.431 1.00 1.00 C ATOM 424 C ASN A1132 -0.032 -7.926 -5.949 1.00 0.91 C ATOM 425 O ASN A1132 0.571 -8.976 -6.181 1.00 1.06 O ATOM 426 CB ASN A1132 -1.856 -9.337 -4.963 1.00 1.29 C ATOM 427 CG ASN A1132 -2.998 -9.315 -3.965 1.00 1.72 C ATOM 428 OD1 ASN A1132 -4.171 -9.326 -4.342 1.00 2.58 O ATOM 429 ND2 ASN A1132 -2.663 -9.296 -2.683 1.00 2.07 N ATOM 0 H ASN A1132 -2.846 -8.179 -6.984 1.00 0.94 H new ATOM 0 HA ASN A1132 -1.512 -7.255 -4.579 1.00 1.00 H new ATOM 0 HB2 ASN A1132 -2.143 -9.938 -5.826 1.00 1.29 H new ATOM 0 HB3 ASN A1132 -0.991 -9.822 -4.511 1.00 1.29 H new ATOM 0 HD21 ASN A1132 -3.389 -9.290 -1.966 1.00 2.07 H new ATOM 0 HD22 ASN A1132 -1.679 -9.287 -2.413 1.00 2.07 H new ATOM 436 N ASP A1133 0.489 -6.728 -6.157 1.00 0.86 N ATOM 437 CA ASP A1133 1.906 -6.532 -6.444 1.00 0.77 C ATOM 438 C ASP A1133 2.719 -6.997 -5.248 1.00 0.78 C ATOM 439 O ASP A1133 3.716 -7.704 -5.397 1.00 1.28 O ATOM 440 CB ASP A1133 2.198 -5.058 -6.752 1.00 0.67 C ATOM 441 CG ASP A1133 1.105 -4.146 -6.246 1.00 0.58 C ATOM 442 OD1 ASP A1133 0.876 -4.089 -5.030 1.00 1.00 O ATOM 443 OD2 ASP A1133 0.428 -3.504 -7.064 1.00 1.09 O ATOM 0 H ASP A1133 -0.054 -5.865 -6.132 1.00 0.86 H new ATOM 0 HA ASP A1133 2.181 -7.116 -7.322 1.00 0.77 H new ATOM 0 HB2 ASP A1133 3.147 -4.774 -6.297 1.00 0.67 H new ATOM 0 HB3 ASP A1133 2.309 -4.928 -7.828 1.00 0.67 H new ATOM 448 N CYS A1134 2.280 -6.594 -4.065 1.00 0.76 N ATOM 449 CA CYS A1134 2.808 -7.140 -2.826 1.00 0.78 C ATOM 450 C CYS A1134 1.918 -8.282 -2.348 1.00 0.85 C ATOM 451 O CYS A1134 0.689 -8.170 -2.396 1.00 1.57 O ATOM 452 CB CYS A1134 2.911 -6.062 -1.747 1.00 0.82 C ATOM 453 SG CYS A1134 4.233 -4.845 -2.036 1.00 1.16 S ATOM 0 H CYS A1134 1.556 -5.887 -3.938 1.00 0.76 H new ATOM 0 HA CYS A1134 3.812 -7.519 -3.016 1.00 0.78 H new ATOM 0 HB2 CYS A1134 1.958 -5.538 -1.680 1.00 0.82 H new ATOM 0 HB3 CYS A1134 3.079 -6.543 -0.783 1.00 0.82 H new ATOM 458 N GLY A1135 2.534 -9.371 -1.904 1.00 1.17 N ATOM 459 CA GLY A1135 1.798 -10.593 -1.607 1.00 1.22 C ATOM 460 C GLY A1135 0.618 -10.388 -0.675 1.00 1.18 C ATOM 461 O GLY A1135 -0.519 -10.737 -1.011 1.00 1.68 O ATOM 0 H GLY A1135 3.539 -9.433 -1.742 1.00 1.17 H new ATOM 0 HA2 GLY A1135 1.440 -11.026 -2.541 1.00 1.22 H new ATOM 0 HA3 GLY A1135 2.480 -11.317 -1.161 1.00 1.22 H new ATOM 465 N ASP A1136 0.879 -9.798 0.485 1.00 1.02 N ATOM 466 CA ASP A1136 -0.147 -9.636 1.508 1.00 1.11 C ATOM 467 C ASP A1136 -0.999 -8.399 1.264 1.00 0.93 C ATOM 468 O ASP A1136 -1.905 -8.091 2.041 1.00 1.35 O ATOM 469 CB ASP A1136 0.481 -9.572 2.898 1.00 1.44 C ATOM 470 CG ASP A1136 1.155 -10.872 3.286 1.00 2.10 C ATOM 471 OD1 ASP A1136 0.446 -11.821 3.673 1.00 2.47 O ATOM 472 OD2 ASP A1136 2.396 -10.957 3.195 1.00 2.85 O ATOM 0 H ASP A1136 1.793 -9.424 0.741 1.00 1.02 H new ATOM 0 HA ASP A1136 -0.798 -10.508 1.451 1.00 1.11 H new ATOM 0 HB2 ASP A1136 1.212 -8.764 2.927 1.00 1.44 H new ATOM 0 HB3 ASP A1136 -0.289 -9.332 3.631 1.00 1.44 H new ATOM 477 N GLY A1137 -0.694 -7.695 0.178 1.00 0.62 N ATOM 478 CA GLY A1137 -1.479 -6.543 -0.230 1.00 0.49 C ATOM 479 C GLY A1137 -1.513 -5.448 0.815 1.00 0.36 C ATOM 480 O GLY A1137 -2.557 -4.837 1.046 1.00 0.36 O ATOM 0 H GLY A1137 0.094 -7.906 -0.434 1.00 0.62 H new ATOM 0 HA2 GLY A1137 -1.069 -6.141 -1.156 1.00 0.49 H new ATOM 0 HA3 GLY A1137 -2.498 -6.863 -0.446 1.00 0.49 H new ATOM 484 N SER A1138 -0.379 -5.195 1.450 1.00 0.32 N ATOM 485 CA SER A1138 -0.294 -4.148 2.456 1.00 0.28 C ATOM 486 C SER A1138 -0.291 -2.770 1.805 1.00 0.25 C ATOM 487 O SER A1138 -0.530 -1.759 2.462 1.00 0.40 O ATOM 488 CB SER A1138 0.953 -4.345 3.314 1.00 0.33 C ATOM 489 OG SER A1138 2.031 -4.840 2.538 1.00 0.44 O ATOM 0 H SER A1138 0.493 -5.699 1.287 1.00 0.32 H new ATOM 0 HA SER A1138 -1.172 -4.212 3.099 1.00 0.28 H new ATOM 0 HB2 SER A1138 1.236 -3.398 3.773 1.00 0.33 H new ATOM 0 HB3 SER A1138 0.735 -5.040 4.125 1.00 0.33 H new ATOM 0 HG SER A1138 2.123 -5.805 2.684 1.00 0.44 H new ATOM 495 N ASP A1139 -0.033 -2.738 0.509 1.00 0.18 N ATOM 496 CA ASP A1139 -0.117 -1.504 -0.251 1.00 0.18 C ATOM 497 C ASP A1139 -1.583 -1.138 -0.449 1.00 0.20 C ATOM 498 O ASP A1139 -1.956 0.033 -0.436 1.00 0.29 O ATOM 499 CB ASP A1139 0.571 -1.659 -1.607 1.00 0.19 C ATOM 500 CG ASP A1139 -0.254 -2.467 -2.586 1.00 0.26 C ATOM 501 OD1 ASP A1139 -0.425 -3.684 -2.374 1.00 0.33 O ATOM 502 OD2 ASP A1139 -0.761 -1.877 -3.562 1.00 0.32 O ATOM 0 H ASP A1139 0.237 -3.555 -0.039 1.00 0.18 H new ATOM 0 HA ASP A1139 0.389 -0.711 0.299 1.00 0.18 H new ATOM 0 HB2 ASP A1139 0.765 -0.672 -2.028 1.00 0.19 H new ATOM 0 HB3 ASP A1139 1.538 -2.141 -1.467 1.00 0.19 H new ATOM 507 N GLU A1140 -2.411 -2.165 -0.610 1.00 0.22 N ATOM 508 CA GLU A1140 -3.842 -1.983 -0.788 1.00 0.27 C ATOM 509 C GLU A1140 -4.478 -1.556 0.530 1.00 0.31 C ATOM 510 O GLU A1140 -5.356 -0.694 0.558 1.00 0.44 O ATOM 511 CB GLU A1140 -4.486 -3.281 -1.286 1.00 0.29 C ATOM 512 CG GLU A1140 -3.899 -3.811 -2.592 1.00 0.29 C ATOM 513 CD GLU A1140 -4.176 -2.908 -3.781 1.00 0.28 C ATOM 514 OE1 GLU A1140 -5.330 -2.460 -3.937 1.00 0.38 O ATOM 515 OE2 GLU A1140 -3.242 -2.650 -4.574 1.00 0.28 O ATOM 0 H GLU A1140 -2.109 -3.139 -0.620 1.00 0.22 H new ATOM 0 HA GLU A1140 -4.007 -1.204 -1.533 1.00 0.27 H new ATOM 0 HB2 GLU A1140 -4.379 -4.045 -0.516 1.00 0.29 H new ATOM 0 HB3 GLU A1140 -5.554 -3.114 -1.422 1.00 0.29 H new ATOM 0 HG2 GLU A1140 -2.822 -3.930 -2.477 1.00 0.29 H new ATOM 0 HG3 GLU A1140 -4.309 -4.801 -2.792 1.00 0.29 H new ATOM 522 N LYS A1141 -4.010 -2.154 1.628 1.00 0.30 N ATOM 523 CA LYS A1141 -4.513 -1.813 2.955 1.00 0.37 C ATOM 524 C LYS A1141 -4.123 -0.380 3.305 1.00 0.49 C ATOM 525 O LYS A1141 -4.819 0.307 4.053 1.00 0.57 O ATOM 526 CB LYS A1141 -3.974 -2.786 4.017 1.00 0.47 C ATOM 527 CG LYS A1141 -2.617 -2.402 4.589 1.00 0.57 C ATOM 528 CD LYS A1141 -2.158 -3.375 5.656 1.00 0.76 C ATOM 529 CE LYS A1141 -0.841 -2.934 6.270 1.00 0.91 C ATOM 530 NZ LYS A1141 -0.941 -1.599 6.920 1.00 1.55 N ATOM 0 H LYS A1141 -3.287 -2.873 1.622 1.00 0.30 H new ATOM 0 HA LYS A1141 -5.600 -1.896 2.943 1.00 0.37 H new ATOM 0 HB2 LYS A1141 -4.694 -2.850 4.833 1.00 0.47 H new ATOM 0 HB3 LYS A1141 -3.901 -3.781 3.578 1.00 0.47 H new ATOM 0 HG2 LYS A1141 -1.881 -2.370 3.786 1.00 0.57 H new ATOM 0 HG3 LYS A1141 -2.672 -1.399 5.012 1.00 0.57 H new ATOM 0 HD2 LYS A1141 -2.918 -3.451 6.434 1.00 0.76 H new ATOM 0 HD3 LYS A1141 -2.046 -4.369 5.222 1.00 0.76 H new ATOM 0 HE2 LYS A1141 -0.521 -3.671 7.006 1.00 0.91 H new ATOM 0 HE3 LYS A1141 -0.074 -2.903 5.496 1.00 0.91 H new ATOM 0 HZ1 LYS A1141 -0.487 -1.633 7.855 1.00 1.55 H new ATOM 0 HZ2 LYS A1141 -0.464 -0.889 6.329 1.00 1.55 H new ATOM 0 HZ3 LYS A1141 -1.942 -1.341 7.031 1.00 1.55 H new ATOM 544 N ASN A1142 -3.006 0.062 2.742 1.00 0.60 N ATOM 545 CA ASN A1142 -2.527 1.424 2.928 1.00 0.81 C ATOM 546 C ASN A1142 -3.262 2.349 1.966 1.00 0.91 C ATOM 547 O ASN A1142 -2.656 2.991 1.104 1.00 1.44 O ATOM 548 CB ASN A1142 -1.014 1.483 2.681 1.00 1.07 C ATOM 549 CG ASN A1142 -0.374 2.765 3.187 1.00 1.37 C ATOM 550 OD1 ASN A1142 0.064 2.837 4.335 1.00 2.05 O ATOM 551 ND2 ASN A1142 -0.296 3.773 2.333 1.00 1.92 N ATOM 0 H ASN A1142 -2.409 -0.511 2.146 1.00 0.60 H new ATOM 0 HA ASN A1142 -2.721 1.746 3.951 1.00 0.81 H new ATOM 0 HB2 ASN A1142 -0.539 0.631 3.168 1.00 1.07 H new ATOM 0 HB3 ASN A1142 -0.823 1.386 1.612 1.00 1.07 H new ATOM 0 HD21 ASN A1142 0.140 4.650 2.618 1.00 1.92 H new ATOM 0 HD22 ASN A1142 -0.671 3.673 1.390 1.00 1.92 H new ATOM 558 N CYS A1143 -4.578 2.398 2.118 1.00 0.76 N ATOM 559 CA CYS A1143 -5.438 3.142 1.213 1.00 0.99 C ATOM 560 C CYS A1143 -6.890 3.016 1.643 1.00 1.29 C ATOM 561 O CYS A1143 -7.639 3.992 1.638 1.00 1.67 O ATOM 562 CB CYS A1143 -5.278 2.621 -0.216 1.00 0.93 C ATOM 563 SG CYS A1143 -6.450 3.333 -1.412 1.00 1.10 S ATOM 0 H CYS A1143 -5.077 1.924 2.871 1.00 0.76 H new ATOM 0 HA CYS A1143 -5.147 4.192 1.245 1.00 0.99 H new ATOM 0 HB2 CYS A1143 -4.263 2.828 -0.554 1.00 0.93 H new ATOM 0 HB3 CYS A1143 -5.397 1.538 -0.210 1.00 0.93 H new ATOM 568 N ASN A1144 -7.283 1.807 2.019 1.00 1.87 N ATOM 569 CA ASN A1144 -8.655 1.543 2.424 1.00 2.36 C ATOM 570 C ASN A1144 -8.701 0.412 3.438 1.00 3.05 C ATOM 571 O ASN A1144 -7.831 -0.459 3.456 1.00 3.73 O ATOM 572 CB ASN A1144 -9.517 1.179 1.207 1.00 3.11 C ATOM 573 CG ASN A1144 -9.076 -0.109 0.530 1.00 3.87 C ATOM 574 OD1 ASN A1144 -9.505 -1.201 0.904 1.00 4.27 O ATOM 575 ND2 ASN A1144 -8.233 0.010 -0.485 1.00 4.59 N ATOM 0 H ASN A1144 -6.669 0.993 2.052 1.00 1.87 H new ATOM 0 HA ASN A1144 -9.053 2.449 2.881 1.00 2.36 H new ATOM 0 HB2 ASN A1144 -10.556 1.080 1.521 1.00 3.11 H new ATOM 0 HB3 ASN A1144 -9.478 1.994 0.485 1.00 3.11 H new ATOM 0 HD21 ASN A1144 -7.917 -0.821 -0.986 1.00 4.59 H new ATOM 0 HD22 ASN A1144 -7.900 0.932 -0.766 1.00 4.59 H new ATOM 582 N SER A1145 -9.707 0.453 4.296 1.00 3.53 N ATOM 583 CA SER A1145 -9.945 -0.610 5.254 1.00 4.69 C ATOM 584 C SER A1145 -10.993 -1.571 4.716 1.00 5.23 C ATOM 585 O SER A1145 -10.814 -2.787 4.741 1.00 5.32 O ATOM 586 CB SER A1145 -10.403 -0.028 6.578 1.00 5.40 C ATOM 587 OG SER A1145 -9.516 0.982 7.029 1.00 5.26 O ATOM 0 H SER A1145 -10.377 1.220 4.347 1.00 3.53 H new ATOM 0 HA SER A1145 -9.014 -1.155 5.413 1.00 4.69 H new ATOM 0 HB2 SER A1145 -11.405 0.387 6.469 1.00 5.40 H new ATOM 0 HB3 SER A1145 -10.466 -0.820 7.324 1.00 5.40 H new ATOM 0 HG SER A1145 -9.836 1.341 7.883 1.00 5.26 H new ATOM 593 N THR A1146 -12.080 -1.009 4.220 1.00 5.97 N ATOM 594 CA THR A1146 -13.189 -1.797 3.727 1.00 6.81 C ATOM 595 C THR A1146 -13.051 -2.086 2.233 1.00 7.34 C ATOM 596 O THR A1146 -13.759 -1.510 1.404 1.00 8.15 O ATOM 597 CB THR A1146 -14.511 -1.071 4.028 1.00 7.69 C ATOM 598 OG1 THR A1146 -14.502 0.243 3.450 1.00 7.92 O ATOM 599 CG2 THR A1146 -14.706 -0.961 5.531 1.00 7.74 C ATOM 0 H THR A1146 -12.216 -0.001 4.149 1.00 5.97 H new ATOM 0 HA THR A1146 -13.186 -2.759 4.240 1.00 6.81 H new ATOM 0 HB THR A1146 -15.330 -1.644 3.594 1.00 7.69 H new ATOM 0 HG1 THR A1146 -14.399 0.172 2.478 1.00 7.92 H new ATOM 0 HG21 THR A1146 -15.644 -0.446 5.740 1.00 7.74 H new ATOM 0 HG22 THR A1146 -14.735 -1.959 5.968 1.00 7.74 H new ATOM 0 HG23 THR A1146 -13.879 -0.399 5.965 1.00 7.74 H new ATOM 607 N GLU A1147 -12.133 -2.984 1.895 1.00 7.13 N ATOM 608 CA GLU A1147 -11.889 -3.348 0.503 1.00 7.94 C ATOM 609 C GLU A1147 -13.119 -4.022 -0.097 1.00 8.95 C ATOM 610 O GLU A1147 -13.399 -3.879 -1.283 1.00 9.87 O ATOM 611 CB GLU A1147 -10.659 -4.265 0.376 1.00 7.79 C ATOM 612 CG GLU A1147 -10.849 -5.679 0.923 1.00 7.90 C ATOM 613 CD GLU A1147 -11.128 -5.718 2.411 1.00 8.00 C ATOM 614 OE1 GLU A1147 -10.168 -5.649 3.201 1.00 8.08 O ATOM 615 OE2 GLU A1147 -12.315 -5.814 2.796 1.00 8.23 O ATOM 0 H GLU A1147 -11.544 -3.475 2.567 1.00 7.13 H new ATOM 0 HA GLU A1147 -11.686 -2.432 -0.052 1.00 7.94 H new ATOM 0 HB2 GLU A1147 -10.382 -4.333 -0.676 1.00 7.79 H new ATOM 0 HB3 GLU A1147 -9.822 -3.800 0.897 1.00 7.79 H new ATOM 0 HG2 GLU A1147 -11.673 -6.157 0.394 1.00 7.90 H new ATOM 0 HG3 GLU A1147 -9.954 -6.265 0.714 1.00 7.90 H new ATOM 622 N THR A1148 -13.849 -4.750 0.734 1.00 8.94 N ATOM 623 CA THR A1148 -15.066 -5.417 0.305 1.00 10.03 C ATOM 624 C THR A1148 -16.246 -4.447 0.292 1.00 10.71 C ATOM 625 O THR A1148 -17.115 -4.484 1.162 1.00 11.12 O ATOM 626 CB THR A1148 -15.374 -6.620 1.218 1.00 10.21 C ATOM 627 OG1 THR A1148 -15.001 -6.314 2.573 1.00 9.58 O ATOM 628 CG2 THR A1148 -14.627 -7.858 0.748 1.00 11.01 C ATOM 0 H THR A1148 -13.616 -4.894 1.717 1.00 8.94 H new ATOM 0 HA THR A1148 -14.911 -5.780 -0.711 1.00 10.03 H new ATOM 0 HB THR A1148 -16.444 -6.822 1.172 1.00 10.21 H new ATOM 0 HG1 THR A1148 -14.024 -6.284 2.645 1.00 9.58 H new ATOM 0 HG21 THR A1148 -14.859 -8.695 1.407 1.00 11.01 H new ATOM 0 HG22 THR A1148 -14.931 -8.102 -0.270 1.00 11.01 H new ATOM 0 HG23 THR A1148 -13.554 -7.666 0.770 1.00 11.01 H new TER 636 THR A1148 HETATM 637 CA CA A1201 -1.171 -2.989 -5.424 1.00 0.28 CA