USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=14 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: A1145 SER OG : rot 180:sc= 0.33 USER MOD Set 1.2: A1146 THR OG1 : rot 53:sc= 0.161 USER MOD Single : A1103 THR OG1 : rot 31:sc= 0.377 USER MOD Single : A1104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1108 SER OG : rot 180:sc= 0.00516 USER MOD Single : A1112 THR OG1 : rot 180:sc= -0.0446 USER MOD Single : A1113 GLN : amide:sc= -1.44 K(o=-1.4,f=-9.5!) USER MOD Single : A1114 TYR OH : rot 180:sc= 0 USER MOD Single : A1115 THR OG1 : rot 180:sc= 0 USER MOD Single : A1118 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.56) USER MOD Single : A1119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1120 GLN : amide:sc= -0.0122 K(o=-0.012,f=-0.52) USER MOD Single : A1123 SER OG : rot 180:sc= 0 USER MOD Single : A1124 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0136) USER MOD Single : A1125 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A1130 THR OG1 : rot 17:sc= 0.924 USER MOD Single : A1132 ASN :FLIP amide:sc= -0.0978 F(o=-2!,f=-0.098) USER MOD Single : A1138 SER OG : rot -18:sc= 0.536 USER MOD Single : A1141 LYS NZ :NH3+ 165:sc= -0.0422 (180deg=-0.258) USER MOD Single : A1142 ASN : amide:sc= 0.106 X(o=0.11,f=0) USER MOD Single : A1144 ASN : amide:sc= -0.938 X(o=-0.94,f=-0.96) USER MOD Single : A1148 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A1103 25.144 -3.070 11.722 1.00 12.23 N ATOM 2 CA THR A1103 25.362 -4.172 10.767 1.00 11.73 C ATOM 3 C THR A1103 24.491 -3.989 9.526 1.00 10.83 C ATOM 4 O THR A1103 23.461 -4.648 9.376 1.00 10.67 O ATOM 5 CB THR A1103 25.046 -5.528 11.423 1.00 11.83 C ATOM 6 OG1 THR A1103 25.578 -5.557 12.755 1.00 12.26 O ATOM 7 CG2 THR A1103 25.640 -6.675 10.617 1.00 12.04 C ATOM 0 HA THR A1103 26.411 -4.156 10.470 1.00 11.73 H new ATOM 0 HB THR A1103 23.963 -5.648 11.453 1.00 11.83 H new ATOM 0 HG1 THR A1103 25.567 -4.652 13.132 1.00 12.26 H new ATOM 0 HG21 THR A1103 25.402 -7.622 11.102 1.00 12.04 H new ATOM 0 HG22 THR A1103 25.221 -6.668 9.611 1.00 12.04 H new ATOM 0 HG23 THR A1103 26.722 -6.558 10.561 1.00 12.04 H new ATOM 17 N HIS A1104 24.910 -3.075 8.650 1.00 10.41 N ATOM 18 CA HIS A1104 24.200 -2.793 7.404 1.00 9.72 C ATOM 19 C HIS A1104 22.811 -2.220 7.687 1.00 8.65 C ATOM 20 O HIS A1104 21.817 -2.945 7.715 1.00 8.32 O ATOM 21 CB HIS A1104 24.094 -4.059 6.538 1.00 10.05 C ATOM 22 CG HIS A1104 23.561 -3.811 5.158 1.00 10.43 C ATOM 23 ND1 HIS A1104 22.260 -4.081 4.788 1.00 10.71 N ATOM 24 CD2 HIS A1104 24.170 -3.332 4.050 1.00 10.84 C ATOM 25 CE1 HIS A1104 22.096 -3.781 3.514 1.00 11.25 C ATOM 26 NE2 HIS A1104 23.240 -3.323 3.041 1.00 11.34 N ATOM 0 H HIS A1104 25.749 -2.511 8.785 1.00 10.41 H new ATOM 0 HA HIS A1104 24.772 -2.047 6.852 1.00 9.72 H new ATOM 0 HB2 HIS A1104 25.080 -4.516 6.459 1.00 10.05 H new ATOM 0 HB3 HIS A1104 23.449 -4.779 7.042 1.00 10.05 H new ATOM 0 HD2 HIS A1104 25.199 -3.015 3.973 1.00 10.84 H new ATOM 0 HE1 HIS A1104 21.180 -3.891 2.953 1.00 11.25 H new ATOM 0 HE2 HIS A1104 23.405 -3.013 2.083 1.00 11.34 H new ATOM 35 N ALA A1105 22.756 -0.913 7.897 1.00 8.30 N ATOM 36 CA ALA A1105 21.495 -0.234 8.164 1.00 7.41 C ATOM 37 C ALA A1105 20.604 -0.261 6.927 1.00 6.47 C ATOM 38 O ALA A1105 21.055 0.076 5.829 1.00 6.54 O ATOM 39 CB ALA A1105 21.749 1.200 8.601 1.00 7.70 C ATOM 0 H ALA A1105 23.571 -0.300 7.888 1.00 8.30 H new ATOM 0 HA ALA A1105 20.983 -0.758 8.971 1.00 7.41 H new ATOM 0 HB1 ALA A1105 20.798 1.695 8.797 1.00 7.70 H new ATOM 0 HB2 ALA A1105 22.353 1.202 9.508 1.00 7.70 H new ATOM 0 HB3 ALA A1105 22.279 1.733 7.811 1.00 7.70 H new ATOM 45 N PRO A1106 19.334 -0.677 7.082 1.00 5.80 N ATOM 46 CA PRO A1106 18.387 -0.752 5.969 1.00 4.97 C ATOM 47 C PRO A1106 18.173 0.605 5.311 1.00 4.25 C ATOM 48 O PRO A1106 17.825 1.585 5.975 1.00 4.22 O ATOM 49 CB PRO A1106 17.085 -1.240 6.610 1.00 4.84 C ATOM 50 CG PRO A1106 17.490 -1.844 7.911 1.00 5.55 C ATOM 51 CD PRO A1106 18.724 -1.109 8.351 1.00 6.09 C ATOM 0 HA PRO A1106 18.750 -1.410 5.180 1.00 4.97 H new ATOM 0 HB2 PRO A1106 16.387 -0.416 6.759 1.00 4.84 H new ATOM 0 HB3 PRO A1106 16.584 -1.971 5.976 1.00 4.84 H new ATOM 0 HG2 PRO A1106 16.695 -1.746 8.650 1.00 5.55 H new ATOM 0 HG3 PRO A1106 17.691 -2.909 7.799 1.00 5.55 H new ATOM 0 HD2 PRO A1106 18.480 -0.260 8.989 1.00 6.09 H new ATOM 0 HD3 PRO A1106 19.394 -1.753 8.920 1.00 6.09 H new ATOM 59 N ALA A1107 18.388 0.654 4.011 1.00 4.09 N ATOM 60 CA ALA A1107 18.235 1.883 3.254 1.00 3.77 C ATOM 61 C ALA A1107 16.789 2.059 2.817 1.00 2.63 C ATOM 62 O ALA A1107 16.048 1.081 2.683 1.00 2.62 O ATOM 63 CB ALA A1107 19.158 1.871 2.046 1.00 4.73 C ATOM 0 H ALA A1107 18.672 -0.151 3.452 1.00 4.09 H new ATOM 0 HA ALA A1107 18.506 2.724 3.892 1.00 3.77 H new ATOM 0 HB1 ALA A1107 19.035 2.797 1.485 1.00 4.73 H new ATOM 0 HB2 ALA A1107 20.192 1.783 2.379 1.00 4.73 H new ATOM 0 HB3 ALA A1107 18.909 1.024 1.406 1.00 4.73 H new ATOM 69 N SER A1108 16.385 3.301 2.616 1.00 2.16 N ATOM 70 CA SER A1108 15.044 3.599 2.154 1.00 1.43 C ATOM 71 C SER A1108 14.955 3.377 0.653 1.00 1.29 C ATOM 72 O SER A1108 15.854 3.767 -0.099 1.00 1.97 O ATOM 73 CB SER A1108 14.661 5.038 2.515 1.00 2.09 C ATOM 74 OG SER A1108 15.657 5.960 2.102 1.00 2.97 O ATOM 0 H SER A1108 16.971 4.122 2.767 1.00 2.16 H new ATOM 0 HA SER A1108 14.341 2.929 2.648 1.00 1.43 H new ATOM 0 HB2 SER A1108 13.711 5.292 2.044 1.00 2.09 H new ATOM 0 HB3 SER A1108 14.514 5.117 3.592 1.00 2.09 H new ATOM 0 HG SER A1108 15.382 6.869 2.345 1.00 2.97 H new ATOM 80 N CYS A1109 13.884 2.726 0.230 1.00 0.72 N ATOM 81 CA CYS A1109 13.662 2.432 -1.176 1.00 0.49 C ATOM 82 C CYS A1109 13.395 3.703 -1.976 1.00 0.46 C ATOM 83 O CYS A1109 13.371 4.803 -1.417 1.00 0.62 O ATOM 84 CB CYS A1109 12.525 1.417 -1.309 1.00 0.33 C ATOM 85 SG CYS A1109 12.964 -0.208 -0.608 1.00 0.47 S ATOM 0 H CYS A1109 13.147 2.388 0.849 1.00 0.72 H new ATOM 0 HA CYS A1109 14.566 1.992 -1.597 1.00 0.49 H new ATOM 0 HB2 CYS A1109 11.638 1.800 -0.805 1.00 0.33 H new ATOM 0 HB3 CYS A1109 12.267 1.299 -2.362 1.00 0.33 H new ATOM 90 N LEU A1110 13.217 3.540 -3.282 1.00 0.34 N ATOM 91 CA LEU A1110 13.044 4.655 -4.212 1.00 0.32 C ATOM 92 C LEU A1110 12.011 5.653 -3.695 1.00 0.29 C ATOM 93 O LEU A1110 11.080 5.283 -2.979 1.00 0.30 O ATOM 94 CB LEU A1110 12.570 4.091 -5.543 1.00 0.28 C ATOM 95 CG LEU A1110 13.067 4.776 -6.810 1.00 0.38 C ATOM 96 CD1 LEU A1110 14.587 4.754 -6.876 1.00 0.52 C ATOM 97 CD2 LEU A1110 12.470 4.079 -8.020 1.00 0.39 C ATOM 0 H LEU A1110 13.188 2.624 -3.731 1.00 0.34 H new ATOM 0 HA LEU A1110 13.994 5.179 -4.321 1.00 0.32 H new ATOM 0 HB2 LEU A1110 12.865 3.043 -5.589 1.00 0.28 H new ATOM 0 HB3 LEU A1110 11.480 4.117 -5.551 1.00 0.28 H new ATOM 0 HG LEU A1110 12.751 5.819 -6.800 1.00 0.38 H new ATOM 0 HD11 LEU A1110 14.919 5.249 -7.789 1.00 0.52 H new ATOM 0 HD12 LEU A1110 14.996 5.276 -6.011 1.00 0.52 H new ATOM 0 HD13 LEU A1110 14.936 3.721 -6.875 1.00 0.52 H new ATOM 0 HD21 LEU A1110 12.822 4.565 -8.930 1.00 0.39 H new ATOM 0 HD22 LEU A1110 12.776 3.033 -8.025 1.00 0.39 H new ATOM 0 HD23 LEU A1110 11.383 4.138 -7.974 1.00 0.39 H new ATOM 109 N ASP A1111 12.170 6.912 -4.076 1.00 0.35 N ATOM 110 CA ASP A1111 11.219 7.951 -3.697 1.00 0.38 C ATOM 111 C ASP A1111 9.841 7.639 -4.265 1.00 0.32 C ATOM 112 O ASP A1111 8.820 8.047 -3.717 1.00 0.42 O ATOM 113 CB ASP A1111 11.689 9.323 -4.184 1.00 0.51 C ATOM 114 CG ASP A1111 10.712 10.427 -3.833 1.00 1.37 C ATOM 115 OD1 ASP A1111 10.615 10.784 -2.637 1.00 1.53 O ATOM 116 OD2 ASP A1111 10.035 10.943 -4.748 1.00 2.32 O ATOM 0 H ASP A1111 12.948 7.241 -4.648 1.00 0.35 H new ATOM 0 HA ASP A1111 11.157 7.974 -2.609 1.00 0.38 H new ATOM 0 HB2 ASP A1111 12.661 9.548 -3.744 1.00 0.51 H new ATOM 0 HB3 ASP A1111 11.827 9.294 -5.265 1.00 0.51 H new ATOM 121 N THR A1112 9.825 6.911 -5.370 1.00 0.28 N ATOM 122 CA THR A1112 8.585 6.470 -5.975 1.00 0.31 C ATOM 123 C THR A1112 8.269 5.026 -5.594 1.00 0.24 C ATOM 124 O THR A1112 7.306 4.444 -6.091 1.00 0.30 O ATOM 125 CB THR A1112 8.647 6.604 -7.505 1.00 0.42 C ATOM 126 OG1 THR A1112 9.923 6.151 -7.979 1.00 0.45 O ATOM 127 CG2 THR A1112 8.420 8.045 -7.928 1.00 0.52 C ATOM 0 H THR A1112 10.665 6.613 -5.867 1.00 0.28 H new ATOM 0 HA THR A1112 7.789 7.110 -5.596 1.00 0.31 H new ATOM 0 HB THR A1112 7.859 5.989 -7.940 1.00 0.42 H new ATOM 0 HG1 THR A1112 9.959 6.236 -8.955 1.00 0.45 H new ATOM 0 HG21 THR A1112 8.468 8.117 -9.015 1.00 0.52 H new ATOM 0 HG22 THR A1112 7.439 8.375 -7.585 1.00 0.52 H new ATOM 0 HG23 THR A1112 9.190 8.679 -7.488 1.00 0.52 H new ATOM 135 N GLN A1113 9.084 4.445 -4.717 1.00 0.18 N ATOM 136 CA GLN A1113 8.830 3.105 -4.226 1.00 0.17 C ATOM 137 C GLN A1113 8.164 3.121 -2.864 1.00 0.17 C ATOM 138 O GLN A1113 8.398 4.004 -2.039 1.00 0.23 O ATOM 139 CB GLN A1113 10.114 2.285 -4.159 1.00 0.17 C ATOM 140 CG GLN A1113 10.488 1.668 -5.492 1.00 0.23 C ATOM 141 CD GLN A1113 11.695 0.756 -5.395 1.00 0.35 C ATOM 142 OE1 GLN A1113 12.565 0.947 -4.542 1.00 1.02 O ATOM 143 NE2 GLN A1113 11.761 -0.230 -6.268 1.00 0.67 N ATOM 0 H GLN A1113 9.922 4.885 -4.336 1.00 0.18 H new ATOM 0 HA GLN A1113 8.149 2.637 -4.937 1.00 0.17 H new ATOM 0 HB2 GLN A1113 10.929 2.923 -3.818 1.00 0.17 H new ATOM 0 HB3 GLN A1113 9.996 1.494 -3.418 1.00 0.17 H new ATOM 0 HG2 GLN A1113 9.640 1.102 -5.877 1.00 0.23 H new ATOM 0 HG3 GLN A1113 10.694 2.462 -6.210 1.00 0.23 H new ATOM 0 HE21 GLN A1113 11.019 -0.352 -6.957 1.00 0.67 H new ATOM 0 HE22 GLN A1113 12.554 -0.871 -6.254 1.00 0.67 H new ATOM 152 N TYR A1114 7.322 2.135 -2.658 1.00 0.15 N ATOM 153 CA TYR A1114 6.659 1.921 -1.391 1.00 0.16 C ATOM 154 C TYR A1114 7.276 0.712 -0.715 1.00 0.15 C ATOM 155 O TYR A1114 7.646 -0.253 -1.380 1.00 0.15 O ATOM 156 CB TYR A1114 5.172 1.682 -1.624 1.00 0.18 C ATOM 157 CG TYR A1114 4.351 1.480 -0.372 1.00 0.22 C ATOM 158 CD1 TYR A1114 4.109 2.528 0.504 1.00 0.33 C ATOM 159 CD2 TYR A1114 3.805 0.237 -0.078 1.00 0.21 C ATOM 160 CE1 TYR A1114 3.346 2.343 1.640 1.00 0.39 C ATOM 161 CE2 TYR A1114 3.042 0.043 1.055 1.00 0.26 C ATOM 162 CZ TYR A1114 2.816 1.100 1.912 1.00 0.34 C ATOM 163 OH TYR A1114 2.054 0.914 3.044 1.00 0.41 O ATOM 0 H TYR A1114 7.075 1.451 -3.373 1.00 0.15 H new ATOM 0 HA TYR A1114 6.779 2.799 -0.756 1.00 0.16 H new ATOM 0 HB2 TYR A1114 4.765 2.531 -2.173 1.00 0.18 H new ATOM 0 HB3 TYR A1114 5.056 0.805 -2.261 1.00 0.18 H new ATOM 0 HD1 TYR A1114 4.523 3.503 0.294 1.00 0.33 H new ATOM 0 HD2 TYR A1114 3.981 -0.592 -0.748 1.00 0.21 H new ATOM 0 HE1 TYR A1114 3.165 3.169 2.312 1.00 0.39 H new ATOM 0 HE2 TYR A1114 2.625 -0.930 1.269 1.00 0.26 H new ATOM 0 HH TYR A1114 1.755 -0.018 3.088 1.00 0.41 H new ATOM 173 N THR A1115 7.376 0.760 0.591 1.00 0.18 N ATOM 174 CA THR A1115 7.976 -0.328 1.340 1.00 0.20 C ATOM 175 C THR A1115 6.873 -1.244 1.867 1.00 0.23 C ATOM 176 O THR A1115 6.210 -0.926 2.855 1.00 0.31 O ATOM 177 CB THR A1115 8.820 0.199 2.515 1.00 0.26 C ATOM 178 OG1 THR A1115 9.543 1.365 2.099 1.00 0.30 O ATOM 179 CG2 THR A1115 9.808 -0.858 2.989 1.00 0.27 C ATOM 0 H THR A1115 7.051 1.540 1.162 1.00 0.18 H new ATOM 0 HA THR A1115 8.637 -0.882 0.674 1.00 0.20 H new ATOM 0 HB THR A1115 8.149 0.446 3.338 1.00 0.26 H new ATOM 0 HG1 THR A1115 10.079 1.702 2.847 1.00 0.30 H new ATOM 0 HG21 THR A1115 10.393 -0.463 3.819 1.00 0.27 H new ATOM 0 HG22 THR A1115 9.264 -1.743 3.317 1.00 0.27 H new ATOM 0 HG23 THR A1115 10.476 -1.125 2.170 1.00 0.27 H new ATOM 187 N CYS A1116 6.669 -2.364 1.189 1.00 0.26 N ATOM 188 CA CYS A1116 5.549 -3.253 1.476 1.00 0.34 C ATOM 189 C CYS A1116 5.655 -3.950 2.823 1.00 0.40 C ATOM 190 O CYS A1116 6.682 -3.883 3.504 1.00 0.37 O ATOM 191 CB CYS A1116 5.421 -4.319 0.391 1.00 0.45 C ATOM 192 SG CYS A1116 4.678 -3.732 -1.157 1.00 0.65 S ATOM 0 H CYS A1116 7.270 -2.682 0.429 1.00 0.26 H new ATOM 0 HA CYS A1116 4.667 -2.613 1.501 1.00 0.34 H new ATOM 0 HB2 CYS A1116 6.411 -4.720 0.175 1.00 0.45 H new ATOM 0 HB3 CYS A1116 4.821 -5.143 0.778 1.00 0.45 H new ATOM 197 N ASP A1117 4.574 -4.626 3.176 1.00 0.56 N ATOM 198 CA ASP A1117 4.511 -5.489 4.345 1.00 0.69 C ATOM 199 C ASP A1117 5.694 -6.465 4.387 1.00 0.65 C ATOM 200 O ASP A1117 6.400 -6.567 5.392 1.00 0.71 O ATOM 201 CB ASP A1117 3.175 -6.252 4.326 1.00 0.93 C ATOM 202 CG ASP A1117 2.775 -6.743 2.933 1.00 1.83 C ATOM 203 OD1 ASP A1117 3.643 -7.268 2.207 1.00 2.62 O ATOM 204 OD2 ASP A1117 1.589 -6.636 2.560 1.00 2.09 O ATOM 0 H ASP A1117 3.701 -4.590 2.650 1.00 0.56 H new ATOM 0 HA ASP A1117 4.572 -4.875 5.244 1.00 0.69 H new ATOM 0 HB2 ASP A1117 3.244 -7.107 4.999 1.00 0.93 H new ATOM 0 HB3 ASP A1117 2.389 -5.604 4.714 1.00 0.93 H new ATOM 209 N ASN A1118 5.920 -7.146 3.273 1.00 0.69 N ATOM 210 CA ASN A1118 6.997 -8.121 3.136 1.00 0.75 C ATOM 211 C ASN A1118 8.353 -7.428 2.960 1.00 0.59 C ATOM 212 O ASN A1118 9.359 -8.071 2.674 1.00 0.65 O ATOM 213 CB ASN A1118 6.699 -9.024 1.936 1.00 0.98 C ATOM 214 CG ASN A1118 7.533 -10.292 1.912 1.00 1.77 C ATOM 215 OD1 ASN A1118 8.620 -10.330 1.335 1.00 2.75 O ATOM 216 ND2 ASN A1118 7.022 -11.345 2.531 1.00 2.02 N ATOM 0 H ASN A1118 5.357 -7.038 2.430 1.00 0.69 H new ATOM 0 HA ASN A1118 7.051 -8.720 4.045 1.00 0.75 H new ATOM 0 HB2 ASN A1118 5.643 -9.293 1.947 1.00 0.98 H new ATOM 0 HB3 ASN A1118 6.876 -8.465 1.017 1.00 0.98 H new ATOM 0 HD21 ASN A1118 7.532 -12.228 2.541 1.00 2.02 H new ATOM 0 HD22 ASN A1118 6.118 -11.273 2.998 1.00 2.02 H new ATOM 223 N HIS A1119 8.361 -6.103 3.130 1.00 0.46 N ATOM 224 CA HIS A1119 9.569 -5.276 2.981 1.00 0.41 C ATOM 225 C HIS A1119 10.005 -5.192 1.522 1.00 0.44 C ATOM 226 O HIS A1119 11.038 -4.603 1.205 1.00 0.79 O ATOM 227 CB HIS A1119 10.721 -5.792 3.855 1.00 0.51 C ATOM 228 CG HIS A1119 10.428 -5.754 5.323 1.00 0.63 C ATOM 229 ND1 HIS A1119 10.174 -6.884 6.068 1.00 0.94 N ATOM 230 CD2 HIS A1119 10.349 -4.712 6.183 1.00 0.78 C ATOM 231 CE1 HIS A1119 9.948 -6.539 7.321 1.00 1.05 C ATOM 232 NE2 HIS A1119 10.048 -5.227 7.419 1.00 0.93 N ATOM 0 H HIS A1119 7.528 -5.568 3.376 1.00 0.46 H new ATOM 0 HA HIS A1119 9.313 -4.273 3.322 1.00 0.41 H new ATOM 0 HB2 HIS A1119 10.953 -6.817 3.566 1.00 0.51 H new ATOM 0 HB3 HIS A1119 11.611 -5.196 3.656 1.00 0.51 H new ATOM 0 HD2 HIS A1119 10.496 -3.670 5.942 1.00 0.78 H new ATOM 0 HE1 HIS A1119 9.720 -7.216 8.130 1.00 1.05 H new ATOM 0 HE2 HIS A1119 9.922 -4.684 8.273 1.00 0.93 H new ATOM 241 N GLN A1120 9.212 -5.785 0.640 1.00 0.40 N ATOM 242 CA GLN A1120 9.427 -5.656 -0.791 1.00 0.38 C ATOM 243 C GLN A1120 9.025 -4.253 -1.214 1.00 0.29 C ATOM 244 O GLN A1120 8.017 -3.735 -0.750 1.00 0.39 O ATOM 245 CB GLN A1120 8.601 -6.707 -1.549 1.00 0.49 C ATOM 246 CG GLN A1120 8.639 -6.558 -3.065 1.00 0.50 C ATOM 247 CD GLN A1120 10.040 -6.639 -3.636 1.00 1.05 C ATOM 248 OE1 GLN A1120 10.911 -7.320 -3.091 1.00 1.91 O ATOM 249 NE2 GLN A1120 10.265 -5.949 -4.741 1.00 1.51 N ATOM 0 H GLN A1120 8.411 -6.362 0.894 1.00 0.40 H new ATOM 0 HA GLN A1120 10.478 -5.823 -1.027 1.00 0.38 H new ATOM 0 HB2 GLN A1120 8.965 -7.699 -1.284 1.00 0.49 H new ATOM 0 HB3 GLN A1120 7.565 -6.648 -1.215 1.00 0.49 H new ATOM 0 HG2 GLN A1120 8.024 -7.337 -3.516 1.00 0.50 H new ATOM 0 HG3 GLN A1120 8.195 -5.601 -3.341 1.00 0.50 H new ATOM 0 HE21 GLN A1120 9.516 -5.398 -5.160 1.00 1.51 H new ATOM 0 HE22 GLN A1120 11.188 -5.968 -5.175 1.00 1.51 H new ATOM 258 N CYS A1121 9.809 -3.622 -2.056 1.00 0.21 N ATOM 259 CA CYS A1121 9.498 -2.267 -2.452 1.00 0.21 C ATOM 260 C CYS A1121 8.951 -2.216 -3.865 1.00 0.20 C ATOM 261 O CYS A1121 9.606 -2.618 -4.828 1.00 0.34 O ATOM 262 CB CYS A1121 10.714 -1.368 -2.275 1.00 0.34 C ATOM 263 SG CYS A1121 11.208 -1.206 -0.529 1.00 0.42 S ATOM 0 H CYS A1121 10.652 -4.015 -2.474 1.00 0.21 H new ATOM 0 HA CYS A1121 8.711 -1.889 -1.799 1.00 0.21 H new ATOM 0 HB2 CYS A1121 11.548 -1.771 -2.850 1.00 0.34 H new ATOM 0 HB3 CYS A1121 10.495 -0.381 -2.681 1.00 0.34 H new ATOM 268 N ILE A1122 7.724 -1.731 -3.961 1.00 0.15 N ATOM 269 CA ILE A1122 7.006 -1.647 -5.220 1.00 0.14 C ATOM 270 C ILE A1122 6.879 -0.192 -5.633 1.00 0.14 C ATOM 271 O ILE A1122 7.241 0.698 -4.875 1.00 0.18 O ATOM 272 CB ILE A1122 5.591 -2.248 -5.097 1.00 0.14 C ATOM 273 CG1 ILE A1122 4.785 -1.483 -4.045 1.00 0.13 C ATOM 274 CG2 ILE A1122 5.668 -3.729 -4.748 1.00 0.19 C ATOM 275 CD1 ILE A1122 3.351 -1.941 -3.926 1.00 0.17 C ATOM 0 H ILE A1122 7.195 -1.382 -3.161 1.00 0.15 H new ATOM 0 HA ILE A1122 7.566 -2.212 -5.966 1.00 0.14 H new ATOM 0 HB ILE A1122 5.084 -2.153 -6.057 1.00 0.14 H new ATOM 0 HG12 ILE A1122 5.273 -1.592 -3.077 1.00 0.13 H new ATOM 0 HG13 ILE A1122 4.799 -0.421 -4.291 1.00 0.13 H new ATOM 0 HG21 ILE A1122 4.660 -4.136 -4.665 1.00 0.19 H new ATOM 0 HG22 ILE A1122 6.211 -4.259 -5.530 1.00 0.19 H new ATOM 0 HG23 ILE A1122 6.188 -3.852 -3.798 1.00 0.19 H new ATOM 0 HD11 ILE A1122 2.844 -1.353 -3.161 1.00 0.17 H new ATOM 0 HD12 ILE A1122 2.845 -1.806 -4.882 1.00 0.17 H new ATOM 0 HD13 ILE A1122 3.327 -2.995 -3.649 1.00 0.17 H new ATOM 287 N SER A1123 6.363 0.054 -6.819 1.00 0.16 N ATOM 288 CA SER A1123 6.093 1.412 -7.245 1.00 0.17 C ATOM 289 C SER A1123 4.850 1.925 -6.521 1.00 0.15 C ATOM 290 O SER A1123 3.862 1.202 -6.389 1.00 0.17 O ATOM 291 CB SER A1123 5.886 1.453 -8.761 1.00 0.24 C ATOM 292 OG SER A1123 5.626 2.771 -9.213 1.00 0.33 O ATOM 0 H SER A1123 6.123 -0.664 -7.502 1.00 0.16 H new ATOM 0 HA SER A1123 6.941 2.051 -6.998 1.00 0.17 H new ATOM 0 HB2 SER A1123 6.773 1.064 -9.261 1.00 0.24 H new ATOM 0 HB3 SER A1123 5.055 0.803 -9.034 1.00 0.24 H new ATOM 0 HG SER A1123 5.500 2.765 -10.185 1.00 0.33 H new ATOM 298 N LYS A1124 4.909 3.170 -6.046 1.00 0.17 N ATOM 299 CA LYS A1124 3.789 3.778 -5.324 1.00 0.19 C ATOM 300 C LYS A1124 2.553 3.860 -6.214 1.00 0.22 C ATOM 301 O LYS A1124 1.430 3.963 -5.724 1.00 0.25 O ATOM 302 CB LYS A1124 4.158 5.176 -4.815 1.00 0.23 C ATOM 303 CG LYS A1124 5.186 5.179 -3.692 1.00 0.25 C ATOM 304 CD LYS A1124 5.524 6.597 -3.255 1.00 0.25 C ATOM 305 CE LYS A1124 6.600 6.621 -2.179 1.00 0.30 C ATOM 306 NZ LYS A1124 6.146 6.016 -0.898 1.00 1.24 N ATOM 0 H LYS A1124 5.721 3.778 -6.148 1.00 0.17 H new ATOM 0 HA LYS A1124 3.564 3.144 -4.467 1.00 0.19 H new ATOM 0 HB2 LYS A1124 4.544 5.764 -5.648 1.00 0.23 H new ATOM 0 HB3 LYS A1124 3.253 5.674 -4.466 1.00 0.23 H new ATOM 0 HG2 LYS A1124 4.800 4.616 -2.842 1.00 0.25 H new ATOM 0 HG3 LYS A1124 6.092 4.673 -4.024 1.00 0.25 H new ATOM 0 HD2 LYS A1124 5.861 7.172 -4.118 1.00 0.25 H new ATOM 0 HD3 LYS A1124 4.625 7.085 -2.879 1.00 0.25 H new ATOM 0 HE2 LYS A1124 7.479 6.085 -2.538 1.00 0.30 H new ATOM 0 HE3 LYS A1124 6.906 7.652 -2.001 1.00 0.30 H new ATOM 0 HZ1 LYS A1124 6.893 6.120 -0.181 1.00 1.24 H new ATOM 0 HZ2 LYS A1124 5.284 6.499 -0.572 1.00 1.24 H new ATOM 0 HZ3 LYS A1124 5.943 5.006 -1.043 1.00 1.24 H new ATOM 320 N ASN A1125 2.777 3.813 -7.524 1.00 0.24 N ATOM 321 CA ASN A1125 1.689 3.791 -8.497 1.00 0.28 C ATOM 322 C ASN A1125 0.850 2.522 -8.350 1.00 0.26 C ATOM 323 O ASN A1125 -0.338 2.506 -8.670 1.00 0.32 O ATOM 324 CB ASN A1125 2.255 3.882 -9.919 1.00 0.36 C ATOM 325 CG ASN A1125 1.178 3.886 -10.988 1.00 1.03 C ATOM 326 OD1 ASN A1125 0.802 2.837 -11.509 1.00 1.75 O ATOM 327 ND2 ASN A1125 0.678 5.065 -11.325 1.00 1.69 N ATOM 0 H ASN A1125 3.709 3.789 -7.938 1.00 0.24 H new ATOM 0 HA ASN A1125 1.046 4.651 -8.310 1.00 0.28 H new ATOM 0 HB2 ASN A1125 2.852 4.790 -10.009 1.00 0.36 H new ATOM 0 HB3 ASN A1125 2.927 3.041 -10.091 1.00 0.36 H new ATOM 0 HD21 ASN A1125 -0.046 5.126 -12.041 1.00 1.69 H new ATOM 0 HD22 ASN A1125 1.017 5.912 -10.869 1.00 1.69 H new ATOM 334 N TRP A1126 1.470 1.465 -7.840 1.00 0.22 N ATOM 335 CA TRP A1126 0.800 0.179 -7.683 1.00 0.22 C ATOM 336 C TRP A1126 -0.029 0.166 -6.409 1.00 0.20 C ATOM 337 O TRP A1126 -0.915 -0.667 -6.238 1.00 0.26 O ATOM 338 CB TRP A1126 1.819 -0.959 -7.613 1.00 0.25 C ATOM 339 CG TRP A1126 2.725 -1.070 -8.803 1.00 0.31 C ATOM 340 CD1 TRP A1126 2.723 -0.296 -9.928 1.00 0.37 C ATOM 341 CD2 TRP A1126 3.775 -2.025 -8.974 1.00 0.38 C ATOM 342 NE1 TRP A1126 3.710 -0.714 -10.785 1.00 0.45 N ATOM 343 CE2 TRP A1126 4.369 -1.774 -10.222 1.00 0.45 C ATOM 344 CE3 TRP A1126 4.270 -3.071 -8.190 1.00 0.44 C ATOM 345 CZ2 TRP A1126 5.436 -2.528 -10.704 1.00 0.54 C ATOM 346 CZ3 TRP A1126 5.328 -3.819 -8.668 1.00 0.55 C ATOM 347 CH2 TRP A1126 5.899 -3.545 -9.915 1.00 0.58 C ATOM 0 H TRP A1126 2.441 1.473 -7.527 1.00 0.22 H new ATOM 0 HA TRP A1126 0.153 0.035 -8.548 1.00 0.22 H new ATOM 0 HB2 TRP A1126 2.430 -0.825 -6.721 1.00 0.25 H new ATOM 0 HB3 TRP A1126 1.283 -1.900 -7.494 1.00 0.25 H new ATOM 0 HD1 TRP A1126 2.045 0.524 -10.116 1.00 0.37 H new ATOM 0 HE1 TRP A1126 3.919 -0.302 -11.694 1.00 0.45 H new ATOM 0 HE3 TRP A1126 3.833 -3.290 -7.227 1.00 0.44 H new ATOM 0 HZ2 TRP A1126 5.881 -2.318 -11.665 1.00 0.54 H new ATOM 0 HZ3 TRP A1126 5.720 -4.628 -8.070 1.00 0.55 H new ATOM 0 HH2 TRP A1126 6.724 -4.150 -10.263 1.00 0.58 H new ATOM 358 N VAL A1127 0.281 1.080 -5.511 1.00 0.19 N ATOM 359 CA VAL A1127 -0.391 1.153 -4.224 1.00 0.18 C ATOM 360 C VAL A1127 -1.855 1.524 -4.401 1.00 0.19 C ATOM 361 O VAL A1127 -2.174 2.588 -4.935 1.00 0.23 O ATOM 362 CB VAL A1127 0.308 2.175 -3.297 1.00 0.21 C ATOM 363 CG1 VAL A1127 -0.418 2.309 -1.967 1.00 0.24 C ATOM 364 CG2 VAL A1127 1.758 1.777 -3.074 1.00 0.24 C ATOM 0 H VAL A1127 1.001 1.790 -5.649 1.00 0.19 H new ATOM 0 HA VAL A1127 -0.335 0.168 -3.760 1.00 0.18 H new ATOM 0 HB VAL A1127 0.279 3.147 -3.788 1.00 0.21 H new ATOM 0 HG11 VAL A1127 0.101 3.035 -1.341 1.00 0.24 H new ATOM 0 HG12 VAL A1127 -1.440 2.645 -2.143 1.00 0.24 H new ATOM 0 HG13 VAL A1127 -0.436 1.343 -1.463 1.00 0.24 H new ATOM 0 HG21 VAL A1127 2.239 2.505 -2.420 1.00 0.24 H new ATOM 0 HG22 VAL A1127 1.798 0.791 -2.611 1.00 0.24 H new ATOM 0 HG23 VAL A1127 2.279 1.750 -4.031 1.00 0.24 H new ATOM 374 N CYS A1128 -2.732 0.619 -3.967 1.00 0.19 N ATOM 375 CA CYS A1128 -4.173 0.829 -4.043 1.00 0.26 C ATOM 376 C CYS A1128 -4.630 0.855 -5.502 1.00 0.27 C ATOM 377 O CYS A1128 -5.269 1.803 -5.965 1.00 0.37 O ATOM 378 CB CYS A1128 -4.550 2.122 -3.312 1.00 0.32 C ATOM 379 SG CYS A1128 -6.335 2.480 -3.226 1.00 0.58 S ATOM 0 H CYS A1128 -2.463 -0.275 -3.555 1.00 0.19 H new ATOM 0 HA CYS A1128 -4.685 0.001 -3.552 1.00 0.26 H new ATOM 0 HB2 CYS A1128 -4.157 2.073 -2.296 1.00 0.32 H new ATOM 0 HB3 CYS A1128 -4.053 2.957 -3.806 1.00 0.32 H new ATOM 384 N ASP A1129 -4.277 -0.197 -6.228 1.00 0.25 N ATOM 385 CA ASP A1129 -4.668 -0.332 -7.631 1.00 0.30 C ATOM 386 C ASP A1129 -5.556 -1.563 -7.814 1.00 0.37 C ATOM 387 O ASP A1129 -5.612 -2.157 -8.894 1.00 0.41 O ATOM 388 CB ASP A1129 -3.424 -0.418 -8.532 1.00 0.31 C ATOM 389 CG ASP A1129 -2.788 -1.796 -8.553 1.00 0.35 C ATOM 390 OD1 ASP A1129 -2.692 -2.431 -7.481 1.00 0.31 O ATOM 391 OD2 ASP A1129 -2.364 -2.238 -9.642 1.00 0.46 O ATOM 0 H ASP A1129 -3.719 -0.973 -5.871 1.00 0.25 H new ATOM 0 HA ASP A1129 -5.237 0.551 -7.923 1.00 0.30 H new ATOM 0 HB2 ASP A1129 -3.701 -0.138 -9.548 1.00 0.31 H new ATOM 0 HB3 ASP A1129 -2.687 0.309 -8.191 1.00 0.31 H new ATOM 396 N THR A1130 -6.252 -1.922 -6.737 1.00 0.45 N ATOM 397 CA THR A1130 -7.122 -3.102 -6.678 1.00 0.56 C ATOM 398 C THR A1130 -6.389 -4.377 -7.100 1.00 0.61 C ATOM 399 O THR A1130 -6.953 -5.247 -7.766 1.00 0.73 O ATOM 400 CB THR A1130 -8.433 -2.933 -7.491 1.00 0.59 C ATOM 401 OG1 THR A1130 -8.172 -2.561 -8.852 1.00 0.56 O ATOM 402 CG2 THR A1130 -9.329 -1.887 -6.842 1.00 0.65 C ATOM 0 H THR A1130 -6.229 -1.394 -5.864 1.00 0.45 H new ATOM 0 HA THR A1130 -7.405 -3.202 -5.630 1.00 0.56 H new ATOM 0 HB THR A1130 -8.938 -3.899 -7.493 1.00 0.59 H new ATOM 0 HG1 THR A1130 -7.236 -2.754 -9.070 1.00 0.56 H new ATOM 0 HG21 THR A1130 -10.244 -1.780 -7.424 1.00 0.65 H new ATOM 0 HG22 THR A1130 -9.578 -2.200 -5.828 1.00 0.65 H new ATOM 0 HG23 THR A1130 -8.807 -0.931 -6.808 1.00 0.65 H new ATOM 410 N ASP A1131 -5.126 -4.476 -6.702 1.00 0.59 N ATOM 411 CA ASP A1131 -4.328 -5.666 -6.962 1.00 0.69 C ATOM 412 C ASP A1131 -3.256 -5.824 -5.889 1.00 0.67 C ATOM 413 O ASP A1131 -2.537 -4.872 -5.576 1.00 0.53 O ATOM 414 CB ASP A1131 -3.675 -5.569 -8.336 1.00 0.75 C ATOM 415 CG ASP A1131 -3.223 -6.918 -8.853 1.00 0.92 C ATOM 416 OD1 ASP A1131 -2.128 -7.370 -8.476 1.00 0.92 O ATOM 417 OD2 ASP A1131 -3.974 -7.539 -9.637 1.00 1.21 O ATOM 0 H ASP A1131 -4.631 -3.742 -6.195 1.00 0.59 H new ATOM 0 HA ASP A1131 -4.982 -6.538 -6.940 1.00 0.69 H new ATOM 0 HB2 ASP A1131 -4.381 -5.130 -9.041 1.00 0.75 H new ATOM 0 HB3 ASP A1131 -2.818 -4.897 -8.282 1.00 0.75 H new ATOM 422 N ASN A1132 -3.152 -7.014 -5.321 1.00 0.94 N ATOM 423 CA ASN A1132 -2.192 -7.272 -4.251 1.00 1.00 C ATOM 424 C ASN A1132 -0.770 -7.367 -4.798 1.00 0.91 C ATOM 425 O ASN A1132 -0.382 -8.394 -5.355 1.00 1.06 O ATOM 426 CB ASN A1132 -2.546 -8.569 -3.514 1.00 1.29 C ATOM 427 CG ASN A1132 -3.851 -8.477 -2.745 1.00 1.72 C ATOM 428 OD1 ASN A1132 -3.764 -8.187 -1.454 1.00 2.58 O flip ATOM 429 ND2 ASN A1132 -4.926 -8.690 -3.300 1.00 2.07 N flip ATOM 0 H ASN A1132 -3.720 -7.820 -5.581 1.00 0.94 H new ATOM 0 HA ASN A1132 -2.242 -6.436 -3.553 1.00 1.00 H new ATOM 0 HB2 ASN A1132 -2.612 -9.384 -4.235 1.00 1.29 H new ATOM 0 HB3 ASN A1132 -1.741 -8.819 -2.823 1.00 1.29 H new ATOM 0 HD21 ASN A1132 -4.951 -8.910 -4.296 1.00 2.07 H new ATOM 0 HD22 ASN A1132 -5.793 -8.647 -2.765 1.00 2.07 H new ATOM 436 N ASP A1133 0.009 -6.303 -4.637 1.00 0.86 N ATOM 437 CA ASP A1133 1.392 -6.306 -5.112 1.00 0.77 C ATOM 438 C ASP A1133 2.329 -6.722 -3.995 1.00 0.78 C ATOM 439 O ASP A1133 3.306 -7.435 -4.223 1.00 1.28 O ATOM 440 CB ASP A1133 1.816 -4.939 -5.653 1.00 0.67 C ATOM 441 CG ASP A1133 1.092 -4.561 -6.927 1.00 0.58 C ATOM 442 OD1 ASP A1133 1.502 -5.024 -8.013 1.00 1.09 O ATOM 443 OD2 ASP A1133 0.110 -3.792 -6.847 1.00 1.00 O ATOM 0 H ASP A1133 -0.286 -5.436 -4.187 1.00 0.86 H new ATOM 0 HA ASP A1133 1.451 -7.024 -5.930 1.00 0.77 H new ATOM 0 HB2 ASP A1133 1.628 -4.179 -4.895 1.00 0.67 H new ATOM 0 HB3 ASP A1133 2.890 -4.944 -5.839 1.00 0.67 H new ATOM 448 N CYS A1134 2.026 -6.273 -2.787 1.00 0.76 N ATOM 449 CA CYS A1134 2.815 -6.633 -1.620 1.00 0.78 C ATOM 450 C CYS A1134 2.574 -8.091 -1.232 1.00 0.85 C ATOM 451 O CYS A1134 1.817 -8.801 -1.902 1.00 1.57 O ATOM 452 CB CYS A1134 2.472 -5.711 -0.452 1.00 0.82 C ATOM 453 SG CYS A1134 2.690 -3.938 -0.816 1.00 1.16 S ATOM 0 H CYS A1134 1.237 -5.657 -2.589 1.00 0.76 H new ATOM 0 HA CYS A1134 3.870 -6.516 -1.867 1.00 0.78 H new ATOM 0 HB2 CYS A1134 1.438 -5.886 -0.156 1.00 0.82 H new ATOM 0 HB3 CYS A1134 3.096 -5.975 0.401 1.00 0.82 H new ATOM 458 N GLY A1135 3.199 -8.538 -0.153 1.00 1.17 N ATOM 459 CA GLY A1135 3.059 -9.918 0.259 1.00 1.22 C ATOM 460 C GLY A1135 1.687 -10.200 0.827 1.00 1.18 C ATOM 461 O GLY A1135 1.001 -11.126 0.391 1.00 1.68 O ATOM 0 H GLY A1135 3.800 -7.970 0.444 1.00 1.17 H new ATOM 0 HA2 GLY A1135 3.240 -10.572 -0.594 1.00 1.22 H new ATOM 0 HA3 GLY A1135 3.817 -10.152 1.007 1.00 1.22 H new ATOM 465 N ASP A1136 1.280 -9.389 1.789 1.00 1.02 N ATOM 466 CA ASP A1136 -0.033 -9.526 2.403 1.00 1.11 C ATOM 467 C ASP A1136 -1.036 -8.633 1.689 1.00 0.93 C ATOM 468 O ASP A1136 -2.236 -8.908 1.667 1.00 1.35 O ATOM 469 CB ASP A1136 0.022 -9.163 3.886 1.00 1.44 C ATOM 470 CG ASP A1136 0.919 -10.083 4.689 1.00 2.10 C ATOM 471 OD1 ASP A1136 0.434 -11.128 5.174 1.00 2.47 O ATOM 472 OD2 ASP A1136 2.118 -9.771 4.834 1.00 2.85 O ATOM 0 H ASP A1136 1.842 -8.625 2.164 1.00 1.02 H new ATOM 0 HA ASP A1136 -0.348 -10.566 2.313 1.00 1.11 H new ATOM 0 HB2 ASP A1136 0.376 -8.138 3.990 1.00 1.44 H new ATOM 0 HB3 ASP A1136 -0.986 -9.196 4.300 1.00 1.44 H new ATOM 477 N GLY A1137 -0.529 -7.556 1.110 1.00 0.62 N ATOM 478 CA GLY A1137 -1.368 -6.635 0.375 1.00 0.49 C ATOM 479 C GLY A1137 -1.495 -5.309 1.085 1.00 0.36 C ATOM 480 O GLY A1137 -2.520 -4.632 0.982 1.00 0.36 O ATOM 0 H GLY A1137 0.459 -7.302 1.137 1.00 0.62 H new ATOM 0 HA2 GLY A1137 -0.951 -6.477 -0.620 1.00 0.49 H new ATOM 0 HA3 GLY A1137 -2.357 -7.072 0.240 1.00 0.49 H new ATOM 484 N SER A1138 -0.449 -4.941 1.810 1.00 0.32 N ATOM 485 CA SER A1138 -0.440 -3.725 2.603 1.00 0.28 C ATOM 486 C SER A1138 -0.583 -2.479 1.725 1.00 0.25 C ATOM 487 O SER A1138 -1.098 -1.455 2.173 1.00 0.40 O ATOM 488 CB SER A1138 0.852 -3.666 3.420 1.00 0.33 C ATOM 489 OG SER A1138 1.988 -3.550 2.580 1.00 0.44 O ATOM 0 H SER A1138 0.416 -5.478 1.864 1.00 0.32 H new ATOM 0 HA SER A1138 -1.297 -3.742 3.277 1.00 0.28 H new ATOM 0 HB2 SER A1138 0.814 -2.818 4.103 1.00 0.33 H new ATOM 0 HB3 SER A1138 0.939 -4.564 4.031 1.00 0.33 H new ATOM 0 HG SER A1138 1.749 -3.817 1.668 1.00 0.44 H new ATOM 495 N ASP A1139 -0.148 -2.576 0.471 1.00 0.18 N ATOM 496 CA ASP A1139 -0.254 -1.458 -0.463 1.00 0.18 C ATOM 497 C ASP A1139 -1.715 -1.170 -0.782 1.00 0.20 C ATOM 498 O ASP A1139 -2.087 -0.047 -1.106 1.00 0.29 O ATOM 499 CB ASP A1139 0.520 -1.743 -1.759 1.00 0.19 C ATOM 500 CG ASP A1139 -0.159 -2.754 -2.669 1.00 0.26 C ATOM 501 OD1 ASP A1139 -0.171 -3.963 -2.343 1.00 0.33 O ATOM 502 OD2 ASP A1139 -0.679 -2.342 -3.726 1.00 0.32 O ATOM 0 H ASP A1139 0.280 -3.415 0.079 1.00 0.18 H new ATOM 0 HA ASP A1139 0.186 -0.582 0.013 1.00 0.18 H new ATOM 0 HB2 ASP A1139 0.653 -0.809 -2.305 1.00 0.19 H new ATOM 0 HB3 ASP A1139 1.515 -2.108 -1.504 1.00 0.19 H new ATOM 507 N GLU A1140 -2.541 -2.191 -0.675 1.00 0.22 N ATOM 508 CA GLU A1140 -3.961 -2.046 -0.930 1.00 0.27 C ATOM 509 C GLU A1140 -4.692 -1.619 0.336 1.00 0.31 C ATOM 510 O GLU A1140 -5.687 -0.897 0.277 1.00 0.44 O ATOM 511 CB GLU A1140 -4.533 -3.363 -1.444 1.00 0.29 C ATOM 512 CG GLU A1140 -3.952 -3.793 -2.780 1.00 0.29 C ATOM 513 CD GLU A1140 -4.292 -2.823 -3.891 1.00 0.28 C ATOM 514 OE1 GLU A1140 -5.489 -2.562 -4.101 1.00 0.38 O ATOM 515 OE2 GLU A1140 -3.365 -2.317 -4.561 1.00 0.28 O ATOM 0 H GLU A1140 -2.253 -3.133 -0.412 1.00 0.22 H new ATOM 0 HA GLU A1140 -4.101 -1.274 -1.687 1.00 0.27 H new ATOM 0 HB2 GLU A1140 -4.346 -4.144 -0.707 1.00 0.29 H new ATOM 0 HB3 GLU A1140 -5.615 -3.268 -1.540 1.00 0.29 H new ATOM 0 HG2 GLU A1140 -2.869 -3.877 -2.693 1.00 0.29 H new ATOM 0 HG3 GLU A1140 -4.329 -4.783 -3.036 1.00 0.29 H new ATOM 522 N LYS A1141 -4.186 -2.061 1.483 1.00 0.30 N ATOM 523 CA LYS A1141 -4.819 -1.744 2.757 1.00 0.37 C ATOM 524 C LYS A1141 -4.536 -0.296 3.139 1.00 0.49 C ATOM 525 O LYS A1141 -5.344 0.359 3.798 1.00 0.57 O ATOM 526 CB LYS A1141 -4.338 -2.701 3.860 1.00 0.47 C ATOM 527 CG LYS A1141 -3.036 -2.298 4.534 1.00 0.57 C ATOM 528 CD LYS A1141 -2.634 -3.297 5.600 1.00 0.76 C ATOM 529 CE LYS A1141 -1.401 -2.838 6.352 1.00 0.91 C ATOM 530 NZ LYS A1141 -1.650 -1.600 7.137 1.00 1.55 N ATOM 0 H LYS A1141 -3.346 -2.635 1.556 1.00 0.30 H new ATOM 0 HA LYS A1141 -5.896 -1.871 2.649 1.00 0.37 H new ATOM 0 HB2 LYS A1141 -5.116 -2.776 4.620 1.00 0.47 H new ATOM 0 HB3 LYS A1141 -4.215 -3.695 3.430 1.00 0.47 H new ATOM 0 HG2 LYS A1141 -2.246 -2.223 3.787 1.00 0.57 H new ATOM 0 HG3 LYS A1141 -3.147 -1.310 4.982 1.00 0.57 H new ATOM 0 HD2 LYS A1141 -3.458 -3.436 6.300 1.00 0.76 H new ATOM 0 HD3 LYS A1141 -2.441 -4.266 5.139 1.00 0.76 H new ATOM 0 HE2 LYS A1141 -1.070 -3.631 7.023 1.00 0.91 H new ATOM 0 HE3 LYS A1141 -0.591 -2.661 5.644 1.00 0.91 H new ATOM 0 HZ1 LYS A1141 -0.881 -1.463 7.823 1.00 1.55 H new ATOM 0 HZ2 LYS A1141 -1.690 -0.783 6.494 1.00 1.55 H new ATOM 0 HZ3 LYS A1141 -2.554 -1.686 7.643 1.00 1.55 H new ATOM 544 N ASN A1142 -3.386 0.200 2.703 1.00 0.60 N ATOM 545 CA ASN A1142 -2.985 1.575 2.964 1.00 0.81 C ATOM 546 C ASN A1142 -3.636 2.503 1.943 1.00 0.91 C ATOM 547 O ASN A1142 -2.964 3.063 1.073 1.00 1.44 O ATOM 548 CB ASN A1142 -1.458 1.693 2.894 1.00 1.07 C ATOM 549 CG ASN A1142 -0.932 3.001 3.458 1.00 1.37 C ATOM 550 OD1 ASN A1142 -0.626 3.095 4.647 1.00 2.05 O ATOM 551 ND2 ASN A1142 -0.816 4.014 2.616 1.00 1.92 N ATOM 0 H ASN A1142 -2.708 -0.336 2.161 1.00 0.60 H new ATOM 0 HA ASN A1142 -3.313 1.864 3.962 1.00 0.81 H new ATOM 0 HB2 ASN A1142 -1.011 0.863 3.441 1.00 1.07 H new ATOM 0 HB3 ASN A1142 -1.140 1.599 1.856 1.00 1.07 H new ATOM 0 HD21 ASN A1142 -0.462 4.913 2.945 1.00 1.92 H new ATOM 0 HD22 ASN A1142 -1.080 3.897 1.638 1.00 1.92 H new ATOM 558 N CYS A1143 -4.952 2.643 2.041 1.00 0.76 N ATOM 559 CA CYS A1143 -5.714 3.439 1.089 1.00 0.99 C ATOM 560 C CYS A1143 -7.147 3.620 1.579 1.00 1.29 C ATOM 561 O CYS A1143 -7.889 2.644 1.682 1.00 1.67 O ATOM 562 CB CYS A1143 -5.711 2.751 -0.277 1.00 0.93 C ATOM 563 SG CYS A1143 -6.488 3.710 -1.618 1.00 1.10 S ATOM 0 H CYS A1143 -5.516 2.213 2.774 1.00 0.76 H new ATOM 0 HA CYS A1143 -5.250 4.421 0.997 1.00 0.99 H new ATOM 0 HB2 CYS A1143 -4.680 2.533 -0.556 1.00 0.93 H new ATOM 0 HB3 CYS A1143 -6.226 1.795 -0.188 1.00 0.93 H new ATOM 568 N ASN A1144 -7.507 4.872 1.886 1.00 1.87 N ATOM 569 CA ASN A1144 -8.841 5.245 2.385 1.00 2.36 C ATOM 570 C ASN A1144 -9.407 4.198 3.348 1.00 3.05 C ATOM 571 O ASN A1144 -10.477 3.631 3.129 1.00 3.73 O ATOM 572 CB ASN A1144 -9.823 5.546 1.228 1.00 3.11 C ATOM 573 CG ASN A1144 -10.141 4.359 0.327 1.00 3.87 C ATOM 574 OD1 ASN A1144 -11.093 3.616 0.569 1.00 4.27 O ATOM 575 ND2 ASN A1144 -9.372 4.193 -0.735 1.00 4.59 N ATOM 0 H ASN A1144 -6.874 5.666 1.795 1.00 1.87 H new ATOM 0 HA ASN A1144 -8.719 6.167 2.953 1.00 2.36 H new ATOM 0 HB2 ASN A1144 -10.755 5.922 1.651 1.00 3.11 H new ATOM 0 HB3 ASN A1144 -9.406 6.346 0.616 1.00 3.11 H new ATOM 0 HD21 ASN A1144 -9.559 3.430 -1.386 1.00 4.59 H new ATOM 0 HD22 ASN A1144 -8.592 4.828 -0.904 1.00 4.59 H new ATOM 582 N SER A1145 -8.676 3.957 4.425 1.00 3.53 N ATOM 583 CA SER A1145 -9.067 2.956 5.403 1.00 4.69 C ATOM 584 C SER A1145 -10.302 3.407 6.179 1.00 5.23 C ATOM 585 O SER A1145 -11.426 3.011 5.867 1.00 5.32 O ATOM 586 CB SER A1145 -7.899 2.669 6.352 1.00 5.40 C ATOM 587 OG SER A1145 -7.326 3.876 6.835 1.00 5.26 O ATOM 0 H SER A1145 -7.806 4.443 4.644 1.00 3.53 H new ATOM 0 HA SER A1145 -9.324 2.036 4.878 1.00 4.69 H new ATOM 0 HB2 SER A1145 -8.247 2.067 7.191 1.00 5.40 H new ATOM 0 HB3 SER A1145 -7.140 2.084 5.833 1.00 5.40 H new ATOM 0 HG SER A1145 -6.584 3.667 7.440 1.00 5.26 H new ATOM 593 N THR A1146 -10.092 4.234 7.182 1.00 5.97 N ATOM 594 CA THR A1146 -11.185 4.744 7.979 1.00 6.81 C ATOM 595 C THR A1146 -11.695 6.073 7.425 1.00 7.34 C ATOM 596 O THR A1146 -11.349 7.147 7.925 1.00 8.15 O ATOM 597 CB THR A1146 -10.756 4.892 9.450 1.00 7.69 C ATOM 598 OG1 THR A1146 -9.522 5.620 9.535 1.00 7.92 O ATOM 599 CG2 THR A1146 -10.580 3.522 10.083 1.00 7.74 C ATOM 0 H THR A1146 -9.170 4.568 7.464 1.00 5.97 H new ATOM 0 HA THR A1146 -12.004 4.027 7.930 1.00 6.81 H new ATOM 0 HB THR A1146 -11.533 5.439 9.985 1.00 7.69 H new ATOM 0 HG1 THR A1146 -9.604 6.462 9.040 1.00 7.92 H new ATOM 0 HG21 THR A1146 -10.276 3.638 11.123 1.00 7.74 H new ATOM 0 HG22 THR A1146 -11.523 2.977 10.039 1.00 7.74 H new ATOM 0 HG23 THR A1146 -9.814 2.967 9.542 1.00 7.74 H new ATOM 607 N GLU A1147 -12.499 6.002 6.372 1.00 7.13 N ATOM 608 CA GLU A1147 -13.065 7.206 5.780 1.00 7.94 C ATOM 609 C GLU A1147 -14.438 7.514 6.370 1.00 8.95 C ATOM 610 O GLU A1147 -14.931 8.638 6.289 1.00 9.87 O ATOM 611 CB GLU A1147 -13.104 7.116 4.241 1.00 7.79 C ATOM 612 CG GLU A1147 -13.537 5.767 3.672 1.00 7.90 C ATOM 613 CD GLU A1147 -15.020 5.497 3.816 1.00 8.00 C ATOM 614 OE1 GLU A1147 -15.804 6.016 2.993 1.00 8.08 O ATOM 615 OE2 GLU A1147 -15.412 4.778 4.756 1.00 8.23 O ATOM 0 H GLU A1147 -12.772 5.132 5.914 1.00 7.13 H new ATOM 0 HA GLU A1147 -12.410 8.040 6.030 1.00 7.94 H new ATOM 0 HB2 GLU A1147 -13.782 7.883 3.867 1.00 7.79 H new ATOM 0 HB3 GLU A1147 -12.112 7.352 3.855 1.00 7.79 H new ATOM 0 HG2 GLU A1147 -13.269 5.724 2.616 1.00 7.90 H new ATOM 0 HG3 GLU A1147 -12.981 4.975 4.174 1.00 7.90 H new ATOM 622 N THR A1148 -15.024 6.492 6.992 1.00 8.94 N ATOM 623 CA THR A1148 -16.283 6.620 7.723 1.00 10.03 C ATOM 624 C THR A1148 -17.414 7.096 6.806 1.00 10.71 C ATOM 625 O THR A1148 -18.281 7.866 7.216 1.00 11.12 O ATOM 626 CB THR A1148 -16.120 7.584 8.920 1.00 10.21 C ATOM 627 OG1 THR A1148 -14.851 7.357 9.547 1.00 9.58 O ATOM 628 CG2 THR A1148 -17.221 7.379 9.952 1.00 11.01 C ATOM 0 H THR A1148 -14.637 5.548 7.003 1.00 8.94 H new ATOM 0 HA THR A1148 -16.549 5.633 8.101 1.00 10.03 H new ATOM 0 HB THR A1148 -16.183 8.604 8.541 1.00 10.21 H new ATOM 0 HG1 THR A1148 -14.746 7.969 10.305 1.00 9.58 H new ATOM 0 HG21 THR A1148 -17.077 8.072 10.781 1.00 11.01 H new ATOM 0 HG22 THR A1148 -18.191 7.562 9.490 1.00 11.01 H new ATOM 0 HG23 THR A1148 -17.184 6.355 10.325 1.00 11.01 H new TER 636 THR A1148 HETATM 637 CA CA A1201 -1.497 -2.820 -5.701 1.00 0.28 CA