USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=12 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: A1144 ASN : amide:sc= 0.0602 X(o=0.14,f=0.35) USER MOD Set 1.2: A1145 SER OG : rot 180:sc= 0.0791 USER MOD Single : A1103 THR OG1 : rot -21:sc= 0.241 USER MOD Single : A1104 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A1108 SER OG : rot 180:sc= 0.0111 USER MOD Single : A1112 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A1113 GLN : amide:sc= -1.21 K(o=-1.2,f=-10!) USER MOD Single : A1114 TYR OH : rot 180:sc= 0 USER MOD Single : A1115 THR OG1 : rot -64:sc= 1.29 USER MOD Single : A1118 ASN : amide:sc= -0.292 K(o=-0.29,f=-3.4!) USER MOD Single : A1119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1120 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.025) USER MOD Single : A1123 SER OG : rot 55:sc= 0.386 USER MOD Single : A1124 LYS NZ :NH3+ -106:sc= 0.979 (180deg=-0.0832) USER MOD Single : A1125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1130 THR OG1 : rot -6:sc= 1.09 USER MOD Single : A1132 ASN : amide:sc= -0.205 K(o=-0.2,f=-5.2!) USER MOD Single : A1138 SER OG : rot -5:sc= -0.0563 USER MOD Single : A1141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1142 ASN : amide:sc= 0.0538 X(o=0.054,f=0) USER MOD Single : A1146 THR OG1 : rot 53:sc= 0.12 USER MOD Single : A1148 THR OG1 : rot 180:sc= 0.0664 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A1103 25.504 0.601 13.471 1.00 12.23 N ATOM 2 CA THR A1103 25.647 -0.699 12.791 1.00 11.73 C ATOM 3 C THR A1103 24.458 -0.956 11.875 1.00 10.83 C ATOM 4 O THR A1103 23.335 -0.553 12.186 1.00 10.67 O ATOM 5 CB THR A1103 25.772 -1.843 13.816 1.00 11.83 C ATOM 6 OG1 THR A1103 24.769 -1.706 14.832 1.00 12.26 O ATOM 7 CG2 THR A1103 27.151 -1.851 14.457 1.00 12.04 C ATOM 0 HA THR A1103 26.557 -0.666 12.192 1.00 11.73 H new ATOM 0 HB THR A1103 25.629 -2.786 13.289 1.00 11.83 H new ATOM 0 HG1 THR A1103 24.453 -0.779 14.857 1.00 12.26 H new ATOM 0 HG21 THR A1103 27.213 -2.668 15.176 1.00 12.04 H new ATOM 0 HG22 THR A1103 27.910 -1.988 13.686 1.00 12.04 H new ATOM 0 HG23 THR A1103 27.320 -0.903 14.968 1.00 12.04 H new ATOM 17 N HIS A1104 24.716 -1.615 10.745 1.00 10.41 N ATOM 18 CA HIS A1104 23.681 -1.927 9.759 1.00 9.72 C ATOM 19 C HIS A1104 23.063 -0.647 9.196 1.00 8.65 C ATOM 20 O HIS A1104 22.142 -0.075 9.783 1.00 8.32 O ATOM 21 CB HIS A1104 22.598 -2.832 10.369 1.00 10.05 C ATOM 22 CG HIS A1104 21.480 -3.171 9.426 1.00 10.43 C ATOM 23 ND1 HIS A1104 20.150 -2.996 9.743 1.00 10.71 N ATOM 24 CD2 HIS A1104 21.501 -3.679 8.173 1.00 10.84 C ATOM 25 CE1 HIS A1104 19.403 -3.380 8.726 1.00 11.25 C ATOM 26 NE2 HIS A1104 20.198 -3.799 7.759 1.00 11.34 N ATOM 0 H HIS A1104 25.646 -1.947 10.488 1.00 10.41 H new ATOM 0 HA HIS A1104 24.151 -2.467 8.937 1.00 9.72 H new ATOM 0 HB2 HIS A1104 23.063 -3.756 10.712 1.00 10.05 H new ATOM 0 HB3 HIS A1104 22.181 -2.340 11.248 1.00 10.05 H new ATOM 0 HD2 HIS A1104 22.380 -3.942 7.604 1.00 10.84 H new ATOM 0 HE1 HIS A1104 18.324 -3.356 8.690 1.00 11.25 H new ATOM 0 HE2 HIS A1104 19.894 -4.154 6.852 1.00 11.34 H new ATOM 35 N ALA A1105 23.583 -0.204 8.063 1.00 8.30 N ATOM 36 CA ALA A1105 23.083 0.992 7.402 1.00 7.41 C ATOM 37 C ALA A1105 21.669 0.767 6.871 1.00 6.47 C ATOM 38 O ALA A1105 21.439 -0.142 6.072 1.00 6.54 O ATOM 39 CB ALA A1105 24.015 1.391 6.269 1.00 7.70 C ATOM 0 H ALA A1105 24.357 -0.658 7.578 1.00 8.30 H new ATOM 0 HA ALA A1105 23.048 1.800 8.132 1.00 7.41 H new ATOM 0 HB1 ALA A1105 23.632 2.287 5.781 1.00 7.70 H new ATOM 0 HB2 ALA A1105 25.009 1.593 6.669 1.00 7.70 H new ATOM 0 HB3 ALA A1105 24.074 0.580 5.543 1.00 7.70 H new ATOM 45 N PRO A1106 20.698 1.576 7.327 1.00 5.80 N ATOM 46 CA PRO A1106 19.309 1.481 6.867 1.00 4.97 C ATOM 47 C PRO A1106 19.171 1.855 5.395 1.00 4.25 C ATOM 48 O PRO A1106 19.593 2.936 4.973 1.00 4.22 O ATOM 49 CB PRO A1106 18.554 2.488 7.744 1.00 4.84 C ATOM 50 CG PRO A1106 19.479 2.811 8.870 1.00 5.55 C ATOM 51 CD PRO A1106 20.867 2.638 8.330 1.00 6.09 C ATOM 0 HA PRO A1106 18.925 0.464 6.951 1.00 4.97 H new ATOM 0 HB2 PRO A1106 18.296 3.384 7.179 1.00 4.84 H new ATOM 0 HB3 PRO A1106 17.620 2.064 8.113 1.00 4.84 H new ATOM 0 HG2 PRO A1106 19.322 3.830 9.223 1.00 5.55 H new ATOM 0 HG3 PRO A1106 19.306 2.150 9.719 1.00 5.55 H new ATOM 0 HD2 PRO A1106 21.245 3.558 7.885 1.00 6.09 H new ATOM 0 HD3 PRO A1106 21.571 2.349 9.110 1.00 6.09 H new ATOM 59 N ALA A1107 18.584 0.961 4.617 1.00 4.09 N ATOM 60 CA ALA A1107 18.421 1.184 3.192 1.00 3.77 C ATOM 61 C ALA A1107 16.984 0.921 2.767 1.00 2.63 C ATOM 62 O ALA A1107 16.581 -0.228 2.586 1.00 2.62 O ATOM 63 CB ALA A1107 19.383 0.301 2.410 1.00 4.73 C ATOM 0 H ALA A1107 18.212 0.072 4.950 1.00 4.09 H new ATOM 0 HA ALA A1107 18.651 2.227 2.975 1.00 3.77 H new ATOM 0 HB1 ALA A1107 19.252 0.477 1.342 1.00 4.73 H new ATOM 0 HB2 ALA A1107 20.408 0.539 2.694 1.00 4.73 H new ATOM 0 HB3 ALA A1107 19.179 -0.746 2.633 1.00 4.73 H new ATOM 69 N SER A1108 16.212 1.986 2.621 1.00 2.16 N ATOM 70 CA SER A1108 14.823 1.869 2.213 1.00 1.43 C ATOM 71 C SER A1108 14.704 1.810 0.692 1.00 1.29 C ATOM 72 O SER A1108 15.712 1.835 -0.024 1.00 1.97 O ATOM 73 CB SER A1108 14.015 3.039 2.776 1.00 2.09 C ATOM 74 OG SER A1108 14.635 4.280 2.479 1.00 2.97 O ATOM 0 H SER A1108 16.526 2.943 2.780 1.00 2.16 H new ATOM 0 HA SER A1108 14.420 0.939 2.613 1.00 1.43 H new ATOM 0 HB2 SER A1108 13.008 3.023 2.359 1.00 2.09 H new ATOM 0 HB3 SER A1108 13.914 2.929 3.856 1.00 2.09 H new ATOM 0 HG SER A1108 14.097 5.011 2.849 1.00 2.97 H new ATOM 80 N CYS A1109 13.475 1.734 0.207 1.00 0.72 N ATOM 81 CA CYS A1109 13.216 1.612 -1.222 1.00 0.49 C ATOM 82 C CYS A1109 13.516 2.913 -1.967 1.00 0.46 C ATOM 83 O CYS A1109 14.031 3.875 -1.389 1.00 0.62 O ATOM 84 CB CYS A1109 11.761 1.200 -1.453 1.00 0.33 C ATOM 85 SG CYS A1109 11.276 -0.327 -0.585 1.00 0.47 S ATOM 0 H CYS A1109 12.635 1.755 0.785 1.00 0.72 H new ATOM 0 HA CYS A1109 13.882 0.845 -1.617 1.00 0.49 H new ATOM 0 HB2 CYS A1109 11.109 2.012 -1.131 1.00 0.33 H new ATOM 0 HB3 CYS A1109 11.598 1.065 -2.522 1.00 0.33 H new ATOM 90 N LEU A1110 13.210 2.920 -3.256 1.00 0.34 N ATOM 91 CA LEU A1110 13.382 4.098 -4.097 1.00 0.32 C ATOM 92 C LEU A1110 12.539 5.256 -3.569 1.00 0.29 C ATOM 93 O LEU A1110 11.587 5.042 -2.819 1.00 0.30 O ATOM 94 CB LEU A1110 12.933 3.755 -5.515 1.00 0.28 C ATOM 95 CG LEU A1110 13.668 4.441 -6.662 1.00 0.38 C ATOM 96 CD1 LEU A1110 15.146 4.077 -6.655 1.00 0.52 C ATOM 97 CD2 LEU A1110 13.024 4.041 -7.980 1.00 0.39 C ATOM 0 H LEU A1110 12.835 2.110 -3.750 1.00 0.34 H new ATOM 0 HA LEU A1110 14.430 4.396 -4.090 1.00 0.32 H new ATOM 0 HB2 LEU A1110 13.028 2.677 -5.649 1.00 0.28 H new ATOM 0 HB3 LEU A1110 11.873 3.994 -5.601 1.00 0.28 H new ATOM 0 HG LEU A1110 13.594 5.521 -6.537 1.00 0.38 H new ATOM 0 HD11 LEU A1110 15.648 4.579 -7.482 1.00 0.52 H new ATOM 0 HD12 LEU A1110 15.594 4.393 -5.713 1.00 0.52 H new ATOM 0 HD13 LEU A1110 15.256 2.998 -6.765 1.00 0.52 H new ATOM 0 HD21 LEU A1110 13.546 4.529 -8.803 1.00 0.39 H new ATOM 0 HD22 LEU A1110 13.086 2.960 -8.102 1.00 0.39 H new ATOM 0 HD23 LEU A1110 11.978 4.347 -7.982 1.00 0.39 H new ATOM 109 N ASP A1111 12.871 6.474 -3.972 1.00 0.35 N ATOM 110 CA ASP A1111 12.079 7.638 -3.584 1.00 0.38 C ATOM 111 C ASP A1111 10.680 7.544 -4.177 1.00 0.32 C ATOM 112 O ASP A1111 9.700 7.949 -3.554 1.00 0.42 O ATOM 113 CB ASP A1111 12.747 8.943 -4.028 1.00 0.51 C ATOM 114 CG ASP A1111 13.975 9.279 -3.206 1.00 1.37 C ATOM 115 OD1 ASP A1111 13.825 9.609 -2.011 1.00 1.53 O ATOM 116 OD2 ASP A1111 15.100 9.231 -3.755 1.00 2.32 O ATOM 0 H ASP A1111 13.676 6.684 -4.562 1.00 0.35 H new ATOM 0 HA ASP A1111 12.011 7.646 -2.496 1.00 0.38 H new ATOM 0 HB2 ASP A1111 13.028 8.864 -5.078 1.00 0.51 H new ATOM 0 HB3 ASP A1111 12.028 9.759 -3.951 1.00 0.51 H new ATOM 121 N THR A1112 10.593 6.984 -5.375 1.00 0.28 N ATOM 122 CA THR A1112 9.315 6.812 -6.042 1.00 0.31 C ATOM 123 C THR A1112 8.680 5.472 -5.682 1.00 0.24 C ATOM 124 O THR A1112 7.562 5.175 -6.097 1.00 0.30 O ATOM 125 CB THR A1112 9.473 6.906 -7.570 1.00 0.42 C ATOM 126 OG1 THR A1112 10.518 6.027 -8.006 1.00 0.45 O ATOM 127 CG2 THR A1112 9.790 8.332 -7.995 1.00 0.52 C ATOM 0 H THR A1112 11.395 6.641 -5.904 1.00 0.28 H new ATOM 0 HA THR A1112 8.663 7.616 -5.700 1.00 0.31 H new ATOM 0 HB THR A1112 8.531 6.609 -8.032 1.00 0.42 H new ATOM 0 HG1 THR A1112 10.613 6.089 -8.979 1.00 0.45 H new ATOM 0 HG21 THR A1112 9.897 8.373 -9.079 1.00 0.52 H new ATOM 0 HG22 THR A1112 8.980 8.993 -7.685 1.00 0.52 H new ATOM 0 HG23 THR A1112 10.720 8.653 -7.526 1.00 0.52 H new ATOM 135 N GLN A1113 9.392 4.660 -4.914 1.00 0.18 N ATOM 136 CA GLN A1113 8.882 3.361 -4.524 1.00 0.17 C ATOM 137 C GLN A1113 8.196 3.399 -3.172 1.00 0.17 C ATOM 138 O GLN A1113 8.450 4.268 -2.338 1.00 0.23 O ATOM 139 CB GLN A1113 9.998 2.330 -4.488 1.00 0.17 C ATOM 140 CG GLN A1113 10.388 1.814 -5.857 1.00 0.23 C ATOM 141 CD GLN A1113 11.438 0.726 -5.777 1.00 0.35 C ATOM 142 OE1 GLN A1113 12.251 0.698 -4.848 1.00 1.02 O ATOM 143 NE2 GLN A1113 11.437 -0.170 -6.746 1.00 0.67 N ATOM 0 H GLN A1113 10.320 4.880 -4.552 1.00 0.18 H new ATOM 0 HA GLN A1113 8.145 3.078 -5.275 1.00 0.17 H new ATOM 0 HB2 GLN A1113 10.874 2.771 -4.012 1.00 0.17 H new ATOM 0 HB3 GLN A1113 9.686 1.490 -3.867 1.00 0.17 H new ATOM 0 HG2 GLN A1113 9.504 1.427 -6.364 1.00 0.23 H new ATOM 0 HG3 GLN A1113 10.766 2.639 -6.461 1.00 0.23 H new ATOM 0 HE21 GLN A1113 10.747 -0.110 -7.495 1.00 0.67 H new ATOM 0 HE22 GLN A1113 12.126 -0.922 -6.746 1.00 0.67 H new ATOM 152 N TYR A1114 7.330 2.427 -2.980 1.00 0.15 N ATOM 153 CA TYR A1114 6.625 2.232 -1.731 1.00 0.16 C ATOM 154 C TYR A1114 7.268 1.077 -0.986 1.00 0.15 C ATOM 155 O TYR A1114 7.822 0.164 -1.601 1.00 0.15 O ATOM 156 CB TYR A1114 5.153 1.923 -2.009 1.00 0.18 C ATOM 157 CG TYR A1114 4.291 1.749 -0.777 1.00 0.22 C ATOM 158 CD1 TYR A1114 3.851 2.854 -0.054 1.00 0.33 C ATOM 159 CD2 TYR A1114 3.928 0.487 -0.330 1.00 0.21 C ATOM 160 CE1 TYR A1114 3.071 2.703 1.075 1.00 0.39 C ATOM 161 CE2 TYR A1114 3.148 0.330 0.799 1.00 0.26 C ATOM 162 CZ TYR A1114 2.693 1.417 1.474 1.00 0.34 C ATOM 163 OH TYR A1114 1.938 1.284 2.620 1.00 0.41 O ATOM 0 H TYR A1114 7.093 1.741 -3.696 1.00 0.15 H new ATOM 0 HA TYR A1114 6.681 3.137 -1.126 1.00 0.16 H new ATOM 0 HB2 TYR A1114 4.737 2.728 -2.614 1.00 0.18 H new ATOM 0 HB3 TYR A1114 5.095 1.013 -2.606 1.00 0.18 H new ATOM 0 HD1 TYR A1114 4.124 3.846 -0.382 1.00 0.33 H new ATOM 0 HD2 TYR A1114 4.260 -0.386 -0.873 1.00 0.21 H new ATOM 0 HE1 TYR A1114 2.757 3.566 1.643 1.00 0.39 H new ATOM 0 HE2 TYR A1114 2.899 -0.662 1.147 1.00 0.26 H new ATOM 0 HH TYR A1114 1.747 0.336 2.777 1.00 0.41 H new ATOM 173 N THR A1115 7.196 1.120 0.324 1.00 0.18 N ATOM 174 CA THR A1115 7.771 0.077 1.147 1.00 0.20 C ATOM 175 C THR A1115 6.671 -0.652 1.904 1.00 0.23 C ATOM 176 O THR A1115 6.154 -0.153 2.906 1.00 0.31 O ATOM 177 CB THR A1115 8.796 0.648 2.144 1.00 0.26 C ATOM 178 OG1 THR A1115 9.693 1.533 1.457 1.00 0.30 O ATOM 179 CG2 THR A1115 9.593 -0.470 2.809 1.00 0.27 C ATOM 0 H THR A1115 6.743 1.870 0.847 1.00 0.18 H new ATOM 0 HA THR A1115 8.289 -0.621 0.489 1.00 0.20 H new ATOM 0 HB THR A1115 8.256 1.194 2.918 1.00 0.26 H new ATOM 0 HG1 THR A1115 10.209 1.027 0.795 1.00 0.30 H new ATOM 0 HG21 THR A1115 10.310 -0.040 3.508 1.00 0.27 H new ATOM 0 HG22 THR A1115 8.913 -1.131 3.347 1.00 0.27 H new ATOM 0 HG23 THR A1115 10.126 -1.039 2.048 1.00 0.27 H new ATOM 187 N CYS A1116 6.295 -1.818 1.393 1.00 0.26 N ATOM 188 CA CYS A1116 5.275 -2.645 2.025 1.00 0.34 C ATOM 189 C CYS A1116 5.705 -3.031 3.434 1.00 0.40 C ATOM 190 O CYS A1116 6.885 -2.958 3.770 1.00 0.37 O ATOM 191 CB CYS A1116 5.053 -3.916 1.206 1.00 0.45 C ATOM 192 SG CYS A1116 4.754 -3.630 -0.566 1.00 0.65 S ATOM 0 H CYS A1116 6.684 -2.214 0.537 1.00 0.26 H new ATOM 0 HA CYS A1116 4.349 -2.072 2.074 1.00 0.34 H new ATOM 0 HB2 CYS A1116 5.926 -4.560 1.315 1.00 0.45 H new ATOM 0 HB3 CYS A1116 4.203 -4.457 1.622 1.00 0.45 H new ATOM 197 N ASP A1117 4.743 -3.474 4.240 1.00 0.56 N ATOM 198 CA ASP A1117 5.012 -3.913 5.612 1.00 0.69 C ATOM 199 C ASP A1117 5.842 -5.201 5.608 1.00 0.65 C ATOM 200 O ASP A1117 6.245 -5.712 6.652 1.00 0.71 O ATOM 201 CB ASP A1117 3.686 -4.132 6.348 1.00 0.93 C ATOM 202 CG ASP A1117 3.846 -4.246 7.852 1.00 1.83 C ATOM 203 OD1 ASP A1117 3.942 -3.195 8.526 1.00 2.62 O ATOM 204 OD2 ASP A1117 3.839 -5.378 8.376 1.00 2.09 O ATOM 0 H ASP A1117 3.763 -3.540 3.966 1.00 0.56 H new ATOM 0 HA ASP A1117 5.584 -3.142 6.129 1.00 0.69 H new ATOM 0 HB2 ASP A1117 3.013 -3.305 6.123 1.00 0.93 H new ATOM 0 HB3 ASP A1117 3.214 -5.039 5.970 1.00 0.93 H new ATOM 209 N ASN A1118 6.088 -5.713 4.408 1.00 0.69 N ATOM 210 CA ASN A1118 6.910 -6.902 4.212 1.00 0.75 C ATOM 211 C ASN A1118 8.286 -6.509 3.680 1.00 0.59 C ATOM 212 O ASN A1118 9.025 -7.351 3.168 1.00 0.65 O ATOM 213 CB ASN A1118 6.237 -7.853 3.216 1.00 0.98 C ATOM 214 CG ASN A1118 4.887 -8.345 3.667 1.00 1.77 C ATOM 215 OD1 ASN A1118 4.004 -8.601 2.844 1.00 2.75 O ATOM 216 ND2 ASN A1118 4.705 -8.478 4.960 1.00 2.02 N ATOM 0 H ASN A1118 5.723 -5.316 3.542 1.00 0.69 H new ATOM 0 HA ASN A1118 7.023 -7.405 5.173 1.00 0.75 H new ATOM 0 HB2 ASN A1118 6.127 -7.344 2.258 1.00 0.98 H new ATOM 0 HB3 ASN A1118 6.889 -8.710 3.048 1.00 0.98 H new ATOM 0 HD21 ASN A1118 3.807 -8.804 5.318 1.00 2.02 H new ATOM 0 HD22 ASN A1118 5.461 -8.256 5.607 1.00 2.02 H new ATOM 223 N HIS A1119 8.615 -5.218 3.794 1.00 0.46 N ATOM 224 CA HIS A1119 9.858 -4.665 3.243 1.00 0.41 C ATOM 225 C HIS A1119 9.954 -4.913 1.740 1.00 0.44 C ATOM 226 O HIS A1119 11.043 -5.075 1.190 1.00 0.79 O ATOM 227 CB HIS A1119 11.089 -5.236 3.958 1.00 0.51 C ATOM 228 CG HIS A1119 11.376 -4.587 5.278 1.00 0.63 C ATOM 229 ND1 HIS A1119 11.057 -5.160 6.490 1.00 0.94 N ATOM 230 CD2 HIS A1119 11.972 -3.407 5.571 1.00 0.78 C ATOM 231 CE1 HIS A1119 11.444 -4.363 7.468 1.00 1.05 C ATOM 232 NE2 HIS A1119 12.003 -3.294 6.937 1.00 0.93 N ATOM 0 H HIS A1119 8.031 -4.529 4.268 1.00 0.46 H new ATOM 0 HA HIS A1119 9.836 -3.588 3.412 1.00 0.41 H new ATOM 0 HB2 HIS A1119 10.944 -6.305 4.113 1.00 0.51 H new ATOM 0 HB3 HIS A1119 11.959 -5.123 3.311 1.00 0.51 H new ATOM 0 HD2 HIS A1119 12.352 -2.688 4.860 1.00 0.78 H new ATOM 0 HE1 HIS A1119 11.323 -4.554 8.524 1.00 1.05 H new ATOM 0 HE2 HIS A1119 12.395 -2.510 7.458 1.00 0.93 H new ATOM 241 N GLN A1120 8.804 -4.928 1.083 1.00 0.40 N ATOM 242 CA GLN A1120 8.736 -5.145 -0.353 1.00 0.38 C ATOM 243 C GLN A1120 8.678 -3.805 -1.073 1.00 0.29 C ATOM 244 O GLN A1120 7.823 -2.971 -0.774 1.00 0.39 O ATOM 245 CB GLN A1120 7.500 -5.987 -0.695 1.00 0.49 C ATOM 246 CG GLN A1120 7.363 -6.352 -2.167 1.00 0.50 C ATOM 247 CD GLN A1120 8.496 -7.229 -2.664 1.00 1.05 C ATOM 248 OE1 GLN A1120 8.451 -8.452 -2.532 1.00 1.91 O ATOM 249 NE2 GLN A1120 9.497 -6.617 -3.272 1.00 1.51 N ATOM 0 H GLN A1120 7.896 -4.791 1.528 1.00 0.40 H new ATOM 0 HA GLN A1120 9.627 -5.682 -0.679 1.00 0.38 H new ATOM 0 HB2 GLN A1120 7.530 -6.905 -0.109 1.00 0.49 H new ATOM 0 HB3 GLN A1120 6.609 -5.441 -0.386 1.00 0.49 H new ATOM 0 HG2 GLN A1120 6.416 -6.868 -2.322 1.00 0.50 H new ATOM 0 HG3 GLN A1120 7.329 -5.439 -2.761 1.00 0.50 H new ATOM 0 HE21 GLN A1120 9.495 -5.601 -3.360 1.00 1.51 H new ATOM 0 HE22 GLN A1120 10.271 -7.161 -3.653 1.00 1.51 H new ATOM 258 N CYS A1121 9.601 -3.591 -1.995 1.00 0.21 N ATOM 259 CA CYS A1121 9.633 -2.356 -2.759 1.00 0.21 C ATOM 260 C CYS A1121 8.795 -2.476 -4.024 1.00 0.20 C ATOM 261 O CYS A1121 9.046 -3.335 -4.871 1.00 0.34 O ATOM 262 CB CYS A1121 11.073 -1.990 -3.114 1.00 0.34 C ATOM 263 SG CYS A1121 12.160 -1.800 -1.665 1.00 0.42 S ATOM 0 H CYS A1121 10.337 -4.256 -2.232 1.00 0.21 H new ATOM 0 HA CYS A1121 9.208 -1.564 -2.142 1.00 0.21 H new ATOM 0 HB2 CYS A1121 11.484 -2.760 -3.766 1.00 0.34 H new ATOM 0 HB3 CYS A1121 11.072 -1.059 -3.681 1.00 0.34 H new ATOM 268 N ILE A1122 7.785 -1.627 -4.129 1.00 0.15 N ATOM 269 CA ILE A1122 6.941 -1.566 -5.317 1.00 0.14 C ATOM 270 C ILE A1122 6.765 -0.117 -5.745 1.00 0.14 C ATOM 271 O ILE A1122 7.209 0.790 -5.053 1.00 0.18 O ATOM 272 CB ILE A1122 5.546 -2.184 -5.077 1.00 0.14 C ATOM 273 CG1 ILE A1122 4.800 -1.407 -3.990 1.00 0.13 C ATOM 274 CG2 ILE A1122 5.661 -3.657 -4.705 1.00 0.19 C ATOM 275 CD1 ILE A1122 3.379 -1.872 -3.789 1.00 0.17 C ATOM 0 H ILE A1122 7.526 -0.963 -3.399 1.00 0.15 H new ATOM 0 HA ILE A1122 7.439 -2.144 -6.096 1.00 0.14 H new ATOM 0 HB ILE A1122 4.976 -2.116 -6.004 1.00 0.14 H new ATOM 0 HG12 ILE A1122 5.342 -1.502 -3.049 1.00 0.13 H new ATOM 0 HG13 ILE A1122 4.795 -0.348 -4.249 1.00 0.13 H new ATOM 0 HG21 ILE A1122 4.666 -4.070 -4.541 1.00 0.19 H new ATOM 0 HG22 ILE A1122 6.150 -4.200 -5.514 1.00 0.19 H new ATOM 0 HG23 ILE A1122 6.250 -3.757 -3.793 1.00 0.19 H new ATOM 0 HD11 ILE A1122 2.910 -1.279 -3.004 1.00 0.17 H new ATOM 0 HD12 ILE A1122 2.822 -1.751 -4.718 1.00 0.17 H new ATOM 0 HD13 ILE A1122 3.378 -2.923 -3.499 1.00 0.17 H new ATOM 287 N SER A1123 6.134 0.101 -6.881 1.00 0.16 N ATOM 288 CA SER A1123 5.805 1.448 -7.315 1.00 0.17 C ATOM 289 C SER A1123 4.684 2.018 -6.452 1.00 0.15 C ATOM 290 O SER A1123 3.745 1.311 -6.083 1.00 0.17 O ATOM 291 CB SER A1123 5.374 1.437 -8.785 1.00 0.24 C ATOM 292 OG SER A1123 4.769 2.669 -9.158 1.00 0.33 O ATOM 0 H SER A1123 5.838 -0.635 -7.522 1.00 0.16 H new ATOM 0 HA SER A1123 6.690 2.076 -7.209 1.00 0.17 H new ATOM 0 HB2 SER A1123 6.241 1.249 -9.418 1.00 0.24 H new ATOM 0 HB3 SER A1123 4.673 0.620 -8.954 1.00 0.24 H new ATOM 0 HG SER A1123 5.378 3.408 -8.951 1.00 0.33 H new ATOM 298 N LYS A1124 4.785 3.308 -6.135 1.00 0.17 N ATOM 299 CA LYS A1124 3.737 3.998 -5.397 1.00 0.19 C ATOM 300 C LYS A1124 2.457 4.052 -6.220 1.00 0.22 C ATOM 301 O LYS A1124 1.369 4.216 -5.676 1.00 0.25 O ATOM 302 CB LYS A1124 4.172 5.417 -5.024 1.00 0.23 C ATOM 303 CG LYS A1124 5.257 5.468 -3.964 1.00 0.25 C ATOM 304 CD LYS A1124 5.686 6.898 -3.678 1.00 0.25 C ATOM 305 CE LYS A1124 6.729 6.955 -2.574 1.00 0.30 C ATOM 306 NZ LYS A1124 7.189 8.344 -2.307 1.00 1.24 N ATOM 0 H LYS A1124 5.584 3.894 -6.379 1.00 0.17 H new ATOM 0 HA LYS A1124 3.550 3.440 -4.479 1.00 0.19 H new ATOM 0 HB2 LYS A1124 4.529 5.925 -5.920 1.00 0.23 H new ATOM 0 HB3 LYS A1124 3.303 5.971 -4.668 1.00 0.23 H new ATOM 0 HG2 LYS A1124 4.893 5.005 -3.047 1.00 0.25 H new ATOM 0 HG3 LYS A1124 6.118 4.887 -4.294 1.00 0.25 H new ATOM 0 HD2 LYS A1124 6.090 7.346 -4.586 1.00 0.25 H new ATOM 0 HD3 LYS A1124 4.817 7.489 -3.390 1.00 0.25 H new ATOM 0 HE2 LYS A1124 6.312 6.530 -1.661 1.00 0.30 H new ATOM 0 HE3 LYS A1124 7.584 6.338 -2.852 1.00 0.30 H new ATOM 0 HZ1 LYS A1124 8.146 8.473 -2.693 1.00 1.24 H new ATOM 0 HZ2 LYS A1124 6.539 9.018 -2.760 1.00 1.24 H new ATOM 0 HZ3 LYS A1124 7.204 8.514 -1.281 1.00 1.24 H new ATOM 320 N ASN A1125 2.592 3.895 -7.533 1.00 0.24 N ATOM 321 CA ASN A1125 1.435 3.914 -8.424 1.00 0.28 C ATOM 322 C ASN A1125 0.700 2.581 -8.378 1.00 0.26 C ATOM 323 O ASN A1125 -0.430 2.465 -8.846 1.00 0.32 O ATOM 324 CB ASN A1125 1.852 4.236 -9.862 1.00 0.36 C ATOM 325 CG ASN A1125 2.377 5.650 -10.015 1.00 1.03 C ATOM 326 OD1 ASN A1125 1.615 6.589 -10.244 1.00 1.75 O ATOM 327 ND2 ASN A1125 3.684 5.813 -9.907 1.00 1.69 N ATOM 0 H ASN A1125 3.486 3.754 -8.003 1.00 0.24 H new ATOM 0 HA ASN A1125 0.762 4.699 -8.078 1.00 0.28 H new ATOM 0 HB2 ASN A1125 2.620 3.531 -10.180 1.00 0.36 H new ATOM 0 HB3 ASN A1125 0.997 4.096 -10.524 1.00 0.36 H new ATOM 0 HD21 ASN A1125 4.093 6.741 -10.014 1.00 1.69 H new ATOM 0 HD22 ASN A1125 4.284 5.010 -9.717 1.00 1.69 H new ATOM 334 N TRP A1126 1.352 1.577 -7.804 1.00 0.22 N ATOM 335 CA TRP A1126 0.750 0.260 -7.650 1.00 0.22 C ATOM 336 C TRP A1126 -0.067 0.200 -6.368 1.00 0.20 C ATOM 337 O TRP A1126 -0.901 -0.676 -6.194 1.00 0.26 O ATOM 338 CB TRP A1126 1.824 -0.832 -7.606 1.00 0.25 C ATOM 339 CG TRP A1126 2.584 -1.019 -8.887 1.00 0.31 C ATOM 340 CD1 TRP A1126 2.548 -0.227 -9.999 1.00 0.37 C ATOM 341 CD2 TRP A1126 3.497 -2.083 -9.181 1.00 0.38 C ATOM 342 NE1 TRP A1126 3.385 -0.733 -10.964 1.00 0.45 N ATOM 343 CE2 TRP A1126 3.977 -1.873 -10.486 1.00 0.45 C ATOM 344 CE3 TRP A1126 3.956 -3.192 -8.464 1.00 0.44 C ATOM 345 CZ2 TRP A1126 4.890 -2.733 -11.090 1.00 0.54 C ATOM 346 CZ3 TRP A1126 4.862 -4.044 -9.066 1.00 0.55 C ATOM 347 CH2 TRP A1126 5.321 -3.811 -10.365 1.00 0.58 C ATOM 0 H TRP A1126 2.301 1.651 -7.437 1.00 0.22 H new ATOM 0 HA TRP A1126 0.102 0.089 -8.510 1.00 0.22 H new ATOM 0 HB2 TRP A1126 2.531 -0.594 -6.812 1.00 0.25 H new ATOM 0 HB3 TRP A1126 1.351 -1.777 -7.339 1.00 0.25 H new ATOM 0 HD1 TRP A1126 1.950 0.666 -10.104 1.00 0.37 H new ATOM 0 HE1 TRP A1126 3.541 -0.326 -11.886 1.00 0.45 H new ATOM 0 HE3 TRP A1126 3.609 -3.379 -7.459 1.00 0.44 H new ATOM 0 HZ2 TRP A1126 5.245 -2.556 -12.094 1.00 0.54 H new ATOM 0 HZ3 TRP A1126 5.222 -4.905 -8.523 1.00 0.55 H new ATOM 0 HH2 TRP A1126 6.030 -4.496 -10.806 1.00 0.58 H new ATOM 358 N VAL A1127 0.180 1.133 -5.470 1.00 0.19 N ATOM 359 CA VAL A1127 -0.480 1.134 -4.172 1.00 0.18 C ATOM 360 C VAL A1127 -1.968 1.420 -4.314 1.00 0.19 C ATOM 361 O VAL A1127 -2.362 2.464 -4.840 1.00 0.23 O ATOM 362 CB VAL A1127 0.164 2.171 -3.227 1.00 0.21 C ATOM 363 CG1 VAL A1127 -0.515 2.175 -1.867 1.00 0.24 C ATOM 364 CG2 VAL A1127 1.650 1.900 -3.080 1.00 0.24 C ATOM 0 H VAL A1127 0.834 1.903 -5.612 1.00 0.19 H new ATOM 0 HA VAL A1127 -0.356 0.141 -3.741 1.00 0.18 H new ATOM 0 HB VAL A1127 0.030 3.158 -3.669 1.00 0.21 H new ATOM 0 HG11 VAL A1127 -0.039 2.916 -1.225 1.00 0.24 H new ATOM 0 HG12 VAL A1127 -1.569 2.424 -1.987 1.00 0.24 H new ATOM 0 HG13 VAL A1127 -0.425 1.189 -1.412 1.00 0.24 H new ATOM 0 HG21 VAL A1127 2.090 2.639 -2.411 1.00 0.24 H new ATOM 0 HG22 VAL A1127 1.799 0.902 -2.667 1.00 0.24 H new ATOM 0 HG23 VAL A1127 2.130 1.963 -4.057 1.00 0.24 H new ATOM 374 N CYS A1128 -2.782 0.471 -3.855 1.00 0.19 N ATOM 375 CA CYS A1128 -4.235 0.592 -3.896 1.00 0.26 C ATOM 376 C CYS A1128 -4.721 0.687 -5.342 1.00 0.27 C ATOM 377 O CYS A1128 -5.424 1.622 -5.728 1.00 0.37 O ATOM 378 CB CYS A1128 -4.689 1.805 -3.074 1.00 0.32 C ATOM 379 SG CYS A1128 -6.497 1.998 -2.926 1.00 0.58 S ATOM 0 H CYS A1128 -2.451 -0.402 -3.445 1.00 0.19 H new ATOM 0 HA CYS A1128 -4.678 -0.300 -3.453 1.00 0.26 H new ATOM 0 HB2 CYS A1128 -4.263 1.728 -2.074 1.00 0.32 H new ATOM 0 HB3 CYS A1128 -4.278 2.707 -3.527 1.00 0.32 H new ATOM 384 N ASP A1129 -4.326 -0.291 -6.141 1.00 0.25 N ATOM 385 CA ASP A1129 -4.717 -0.347 -7.551 1.00 0.30 C ATOM 386 C ASP A1129 -5.560 -1.596 -7.818 1.00 0.37 C ATOM 387 O ASP A1129 -5.566 -2.134 -8.921 1.00 0.41 O ATOM 388 CB ASP A1129 -3.471 -0.342 -8.450 1.00 0.31 C ATOM 389 CG ASP A1129 -2.755 -1.678 -8.470 1.00 0.35 C ATOM 390 OD1 ASP A1129 -2.722 -2.354 -7.424 1.00 0.31 O ATOM 391 OD2 ASP A1129 -2.216 -2.053 -9.529 1.00 0.46 O ATOM 0 H ASP A1129 -3.732 -1.063 -5.840 1.00 0.25 H new ATOM 0 HA ASP A1129 -5.316 0.534 -7.782 1.00 0.30 H new ATOM 0 HB2 ASP A1129 -3.763 -0.076 -9.466 1.00 0.31 H new ATOM 0 HB3 ASP A1129 -2.782 0.429 -8.104 1.00 0.31 H new ATOM 396 N THR A1130 -6.249 -2.049 -6.772 1.00 0.45 N ATOM 397 CA THR A1130 -7.109 -3.245 -6.795 1.00 0.56 C ATOM 398 C THR A1130 -6.329 -4.517 -7.150 1.00 0.61 C ATOM 399 O THR A1130 -6.917 -5.545 -7.492 1.00 0.73 O ATOM 400 CB THR A1130 -8.348 -3.103 -7.725 1.00 0.59 C ATOM 401 OG1 THR A1130 -7.977 -3.042 -9.108 1.00 0.56 O ATOM 402 CG2 THR A1130 -9.150 -1.864 -7.359 1.00 0.65 C ATOM 0 H THR A1130 -6.229 -1.589 -5.862 1.00 0.45 H new ATOM 0 HA THR A1130 -7.480 -3.337 -5.774 1.00 0.56 H new ATOM 0 HB THR A1130 -8.961 -3.992 -7.578 1.00 0.59 H new ATOM 0 HG1 THR A1130 -7.001 -3.003 -9.183 1.00 0.56 H new ATOM 0 HG21 THR A1130 -10.013 -1.781 -8.020 1.00 0.65 H new ATOM 0 HG22 THR A1130 -9.490 -1.943 -6.326 1.00 0.65 H new ATOM 0 HG23 THR A1130 -8.523 -0.979 -7.468 1.00 0.65 H new ATOM 410 N ASP A1131 -5.008 -4.450 -7.049 1.00 0.59 N ATOM 411 CA ASP A1131 -4.161 -5.607 -7.302 1.00 0.69 C ATOM 412 C ASP A1131 -3.127 -5.739 -6.192 1.00 0.67 C ATOM 413 O ASP A1131 -2.340 -4.829 -5.962 1.00 0.53 O ATOM 414 CB ASP A1131 -3.466 -5.475 -8.659 1.00 0.75 C ATOM 415 CG ASP A1131 -2.800 -6.763 -9.102 1.00 0.92 C ATOM 416 OD1 ASP A1131 -1.619 -6.981 -8.766 1.00 0.92 O ATOM 417 OD2 ASP A1131 -3.457 -7.568 -9.795 1.00 1.21 O ATOM 0 H ASP A1131 -4.499 -3.604 -6.793 1.00 0.59 H new ATOM 0 HA ASP A1131 -4.783 -6.502 -7.320 1.00 0.69 H new ATOM 0 HB2 ASP A1131 -4.197 -5.172 -9.409 1.00 0.75 H new ATOM 0 HB3 ASP A1131 -2.718 -4.684 -8.604 1.00 0.75 H new ATOM 422 N ASN A1132 -3.145 -6.855 -5.488 1.00 0.94 N ATOM 423 CA ASN A1132 -2.238 -7.060 -4.361 1.00 1.00 C ATOM 424 C ASN A1132 -0.796 -7.231 -4.841 1.00 0.91 C ATOM 425 O ASN A1132 -0.424 -8.269 -5.392 1.00 1.06 O ATOM 426 CB ASN A1132 -2.683 -8.265 -3.514 1.00 1.29 C ATOM 427 CG ASN A1132 -2.798 -9.561 -4.307 1.00 1.72 C ATOM 428 OD1 ASN A1132 -3.076 -9.556 -5.506 1.00 2.58 O ATOM 429 ND2 ASN A1132 -2.598 -10.682 -3.637 1.00 2.07 N ATOM 0 H ASN A1132 -3.775 -7.636 -5.672 1.00 0.94 H new ATOM 0 HA ASN A1132 -2.277 -6.171 -3.731 1.00 1.00 H new ATOM 0 HB2 ASN A1132 -1.972 -8.409 -2.701 1.00 1.29 H new ATOM 0 HB3 ASN A1132 -3.648 -8.041 -3.058 1.00 1.29 H new ATOM 0 HD21 ASN A1132 -2.672 -11.581 -4.113 1.00 2.07 H new ATOM 0 HD22 ASN A1132 -2.369 -10.648 -2.644 1.00 2.07 H new ATOM 436 N ASP A1133 0.020 -6.201 -4.630 1.00 0.86 N ATOM 437 CA ASP A1133 1.401 -6.224 -5.101 1.00 0.77 C ATOM 438 C ASP A1133 2.333 -6.693 -4.004 1.00 0.78 C ATOM 439 O ASP A1133 3.273 -7.444 -4.257 1.00 1.28 O ATOM 440 CB ASP A1133 1.847 -4.853 -5.611 1.00 0.67 C ATOM 441 CG ASP A1133 1.128 -4.442 -6.874 1.00 0.58 C ATOM 442 OD1 ASP A1133 1.454 -4.974 -7.953 1.00 1.09 O ATOM 443 OD2 ASP A1133 0.226 -3.586 -6.789 1.00 1.00 O ATOM 0 H ASP A1133 -0.248 -5.347 -4.140 1.00 0.86 H new ATOM 0 HA ASP A1133 1.447 -6.926 -5.933 1.00 0.77 H new ATOM 0 HB2 ASP A1133 1.670 -4.106 -4.837 1.00 0.67 H new ATOM 0 HB3 ASP A1133 2.921 -4.870 -5.798 1.00 0.67 H new ATOM 448 N CYS A1134 2.076 -6.251 -2.785 1.00 0.76 N ATOM 449 CA CYS A1134 2.847 -6.718 -1.648 1.00 0.78 C ATOM 450 C CYS A1134 2.433 -8.145 -1.312 1.00 0.85 C ATOM 451 O CYS A1134 1.304 -8.539 -1.612 1.00 1.57 O ATOM 452 CB CYS A1134 2.626 -5.810 -0.437 1.00 0.82 C ATOM 453 SG CYS A1134 2.782 -4.032 -0.795 1.00 1.16 S ATOM 0 H CYS A1134 1.346 -5.575 -2.559 1.00 0.76 H new ATOM 0 HA CYS A1134 3.906 -6.694 -1.904 1.00 0.78 H new ATOM 0 HB2 CYS A1134 1.633 -6.001 -0.031 1.00 0.82 H new ATOM 0 HB3 CYS A1134 3.344 -6.077 0.338 1.00 0.82 H new ATOM 458 N GLY A1135 3.337 -8.918 -0.718 1.00 1.17 N ATOM 459 CA GLY A1135 3.029 -10.297 -0.367 1.00 1.22 C ATOM 460 C GLY A1135 1.723 -10.427 0.393 1.00 1.18 C ATOM 461 O GLY A1135 0.801 -11.116 -0.055 1.00 1.68 O ATOM 0 H GLY A1135 4.280 -8.615 -0.472 1.00 1.17 H new ATOM 0 HA2 GLY A1135 2.978 -10.897 -1.276 1.00 1.22 H new ATOM 0 HA3 GLY A1135 3.839 -10.704 0.238 1.00 1.22 H new ATOM 465 N ASP A1136 1.637 -9.751 1.532 1.00 1.02 N ATOM 466 CA ASP A1136 0.425 -9.771 2.345 1.00 1.11 C ATOM 467 C ASP A1136 -0.660 -8.892 1.728 1.00 0.93 C ATOM 468 O ASP A1136 -1.850 -9.090 1.974 1.00 1.35 O ATOM 469 CB ASP A1136 0.734 -9.313 3.767 1.00 1.44 C ATOM 470 CG ASP A1136 -0.473 -9.380 4.684 1.00 2.10 C ATOM 471 OD1 ASP A1136 -0.832 -10.493 5.119 1.00 2.47 O ATOM 472 OD2 ASP A1136 -1.056 -8.320 4.983 1.00 2.85 O ATOM 0 H ASP A1136 2.392 -9.182 1.915 1.00 1.02 H new ATOM 0 HA ASP A1136 0.054 -10.795 2.378 1.00 1.11 H new ATOM 0 HB2 ASP A1136 1.531 -9.933 4.178 1.00 1.44 H new ATOM 0 HB3 ASP A1136 1.108 -8.289 3.741 1.00 1.44 H new ATOM 477 N GLY A1137 -0.242 -7.945 0.896 1.00 0.62 N ATOM 478 CA GLY A1137 -1.183 -7.049 0.242 1.00 0.49 C ATOM 479 C GLY A1137 -1.353 -5.737 0.986 1.00 0.36 C ATOM 480 O GLY A1137 -2.395 -5.091 0.892 1.00 0.36 O ATOM 0 H GLY A1137 0.737 -7.780 0.661 1.00 0.62 H new ATOM 0 HA2 GLY A1137 -0.840 -6.845 -0.772 1.00 0.49 H new ATOM 0 HA3 GLY A1137 -2.151 -7.543 0.158 1.00 0.49 H new ATOM 484 N SER A1138 -0.313 -5.331 1.704 1.00 0.32 N ATOM 485 CA SER A1138 -0.376 -4.146 2.548 1.00 0.28 C ATOM 486 C SER A1138 -0.575 -2.865 1.731 1.00 0.25 C ATOM 487 O SER A1138 -1.076 -1.868 2.249 1.00 0.40 O ATOM 488 CB SER A1138 0.895 -4.045 3.393 1.00 0.33 C ATOM 489 OG SER A1138 2.052 -3.951 2.578 1.00 0.44 O ATOM 0 H SER A1138 0.588 -5.808 1.718 1.00 0.32 H new ATOM 0 HA SER A1138 -1.243 -4.249 3.201 1.00 0.28 H new ATOM 0 HB2 SER A1138 0.834 -3.172 4.042 1.00 0.33 H new ATOM 0 HB3 SER A1138 0.974 -4.919 4.040 1.00 0.33 H new ATOM 0 HG SER A1138 1.797 -4.044 1.636 1.00 0.44 H new ATOM 495 N ASP A1139 -0.196 -2.897 0.456 1.00 0.18 N ATOM 496 CA ASP A1139 -0.336 -1.728 -0.409 1.00 0.18 C ATOM 497 C ASP A1139 -1.805 -1.464 -0.719 1.00 0.20 C ATOM 498 O ASP A1139 -2.201 -0.337 -1.003 1.00 0.29 O ATOM 499 CB ASP A1139 0.446 -1.911 -1.714 1.00 0.19 C ATOM 500 CG ASP A1139 -0.153 -2.960 -2.632 1.00 0.26 C ATOM 501 OD1 ASP A1139 -0.008 -4.172 -2.352 1.00 0.33 O ATOM 502 OD2 ASP A1139 -0.773 -2.575 -3.643 1.00 0.32 O ATOM 0 H ASP A1139 0.208 -3.715 0.000 1.00 0.18 H new ATOM 0 HA ASP A1139 0.075 -0.870 0.123 1.00 0.18 H new ATOM 0 HB2 ASP A1139 0.487 -0.958 -2.241 1.00 0.19 H new ATOM 0 HB3 ASP A1139 1.473 -2.189 -1.478 1.00 0.19 H new ATOM 507 N GLU A1140 -2.607 -2.513 -0.655 1.00 0.22 N ATOM 508 CA GLU A1140 -4.033 -2.394 -0.894 1.00 0.27 C ATOM 509 C GLU A1140 -4.769 -2.111 0.411 1.00 0.31 C ATOM 510 O GLU A1140 -5.814 -1.461 0.420 1.00 0.44 O ATOM 511 CB GLU A1140 -4.573 -3.674 -1.527 1.00 0.29 C ATOM 512 CG GLU A1140 -3.982 -3.979 -2.894 1.00 0.29 C ATOM 513 CD GLU A1140 -4.319 -2.921 -3.922 1.00 0.28 C ATOM 514 OE1 GLU A1140 -5.508 -2.574 -4.052 1.00 0.38 O ATOM 515 OE2 GLU A1140 -3.394 -2.427 -4.605 1.00 0.28 O ATOM 0 H GLU A1140 -2.293 -3.459 -0.439 1.00 0.22 H new ATOM 0 HA GLU A1140 -4.199 -1.563 -1.579 1.00 0.27 H new ATOM 0 HB2 GLU A1140 -4.371 -4.512 -0.859 1.00 0.29 H new ATOM 0 HB3 GLU A1140 -5.656 -3.594 -1.619 1.00 0.29 H new ATOM 0 HG2 GLU A1140 -2.899 -4.064 -2.807 1.00 0.29 H new ATOM 0 HG3 GLU A1140 -4.351 -4.945 -3.238 1.00 0.29 H new ATOM 522 N LYS A1141 -4.220 -2.605 1.517 1.00 0.30 N ATOM 523 CA LYS A1141 -4.842 -2.405 2.818 1.00 0.37 C ATOM 524 C LYS A1141 -4.608 -0.976 3.297 1.00 0.49 C ATOM 525 O LYS A1141 -5.447 -0.391 3.982 1.00 0.57 O ATOM 526 CB LYS A1141 -4.317 -3.422 3.845 1.00 0.47 C ATOM 527 CG LYS A1141 -3.033 -3.019 4.553 1.00 0.57 C ATOM 528 CD LYS A1141 -2.554 -4.120 5.487 1.00 0.76 C ATOM 529 CE LYS A1141 -1.353 -3.683 6.303 1.00 0.91 C ATOM 530 NZ LYS A1141 -0.936 -4.722 7.279 1.00 1.55 N ATOM 0 H LYS A1141 -3.353 -3.142 1.537 1.00 0.30 H new ATOM 0 HA LYS A1141 -5.915 -2.566 2.715 1.00 0.37 H new ATOM 0 HB2 LYS A1141 -5.090 -3.590 4.595 1.00 0.47 H new ATOM 0 HB3 LYS A1141 -4.152 -4.373 3.339 1.00 0.47 H new ATOM 0 HG2 LYS A1141 -2.260 -2.802 3.816 1.00 0.57 H new ATOM 0 HG3 LYS A1141 -3.199 -2.103 5.120 1.00 0.57 H new ATOM 0 HD2 LYS A1141 -3.364 -4.406 6.157 1.00 0.76 H new ATOM 0 HD3 LYS A1141 -2.295 -5.004 4.904 1.00 0.76 H new ATOM 0 HE2 LYS A1141 -0.522 -3.460 5.634 1.00 0.91 H new ATOM 0 HE3 LYS A1141 -1.591 -2.761 6.834 1.00 0.91 H new ATOM 0 HZ1 LYS A1141 -0.112 -4.383 7.816 1.00 1.55 H new ATOM 0 HZ2 LYS A1141 -1.720 -4.917 7.934 1.00 1.55 H new ATOM 0 HZ3 LYS A1141 -0.684 -5.594 6.771 1.00 1.55 H new ATOM 544 N ASN A1142 -3.470 -0.410 2.915 1.00 0.60 N ATOM 545 CA ASN A1142 -3.152 0.971 3.249 1.00 0.81 C ATOM 546 C ASN A1142 -3.826 1.902 2.249 1.00 0.91 C ATOM 547 O ASN A1142 -3.174 2.507 1.397 1.00 1.44 O ATOM 548 CB ASN A1142 -1.635 1.191 3.253 1.00 1.07 C ATOM 549 CG ASN A1142 -1.230 2.520 3.871 1.00 1.37 C ATOM 550 OD1 ASN A1142 -1.011 2.611 5.078 1.00 2.05 O ATOM 551 ND2 ASN A1142 -1.115 3.553 3.052 1.00 1.92 N ATOM 0 H ASN A1142 -2.751 -0.888 2.372 1.00 0.60 H new ATOM 0 HA ASN A1142 -3.525 1.191 4.250 1.00 0.81 H new ATOM 0 HB2 ASN A1142 -1.157 0.380 3.803 1.00 1.07 H new ATOM 0 HB3 ASN A1142 -1.264 1.144 2.229 1.00 1.07 H new ATOM 0 HD21 ASN A1142 -0.836 4.464 3.416 1.00 1.92 H new ATOM 0 HD22 ASN A1142 -1.305 3.438 2.056 1.00 1.92 H new ATOM 558 N CYS A1143 -5.143 1.983 2.339 1.00 0.76 N ATOM 559 CA CYS A1143 -5.925 2.797 1.426 1.00 0.99 C ATOM 560 C CYS A1143 -7.311 3.034 2.010 1.00 1.29 C ATOM 561 O CYS A1143 -8.328 2.891 1.335 1.00 1.67 O ATOM 562 CB CYS A1143 -6.024 2.103 0.063 1.00 0.93 C ATOM 563 SG CYS A1143 -6.728 3.137 -1.264 1.00 1.10 S ATOM 0 H CYS A1143 -5.696 1.491 3.041 1.00 0.76 H new ATOM 0 HA CYS A1143 -5.435 3.761 1.288 1.00 0.99 H new ATOM 0 HB2 CYS A1143 -5.028 1.777 -0.238 1.00 0.93 H new ATOM 0 HB3 CYS A1143 -6.634 1.206 0.170 1.00 0.93 H new ATOM 568 N ASN A1144 -7.343 3.387 3.283 1.00 1.87 N ATOM 569 CA ASN A1144 -8.597 3.644 3.971 1.00 2.36 C ATOM 570 C ASN A1144 -8.689 5.108 4.366 1.00 3.05 C ATOM 571 O ASN A1144 -7.687 5.828 4.332 1.00 3.73 O ATOM 572 CB ASN A1144 -8.733 2.750 5.211 1.00 3.11 C ATOM 573 CG ASN A1144 -7.625 2.976 6.223 1.00 3.87 C ATOM 574 OD1 ASN A1144 -6.568 2.351 6.149 1.00 4.27 O ATOM 575 ND2 ASN A1144 -7.857 3.866 7.177 1.00 4.59 N ATOM 0 H ASN A1144 -6.512 3.503 3.863 1.00 1.87 H new ATOM 0 HA ASN A1144 -9.415 3.410 3.290 1.00 2.36 H new ATOM 0 HB2 ASN A1144 -9.696 2.938 5.685 1.00 3.11 H new ATOM 0 HB3 ASN A1144 -8.729 1.705 4.902 1.00 3.11 H new ATOM 0 HD21 ASN A1144 -7.146 4.053 7.884 1.00 4.59 H new ATOM 0 HD22 ASN A1144 -8.747 4.364 7.204 1.00 4.59 H new ATOM 582 N SER A1145 -9.888 5.532 4.739 1.00 3.53 N ATOM 583 CA SER A1145 -10.151 6.911 5.122 1.00 4.69 C ATOM 584 C SER A1145 -9.757 7.878 4.016 1.00 5.23 C ATOM 585 O SER A1145 -8.803 8.650 4.139 1.00 5.32 O ATOM 586 CB SER A1145 -9.437 7.262 6.403 1.00 5.40 C ATOM 587 OG SER A1145 -9.765 6.355 7.446 1.00 5.26 O ATOM 0 H SER A1145 -10.708 4.927 4.785 1.00 3.53 H new ATOM 0 HA SER A1145 -11.224 7.004 5.288 1.00 4.69 H new ATOM 0 HB2 SER A1145 -8.360 7.252 6.235 1.00 5.40 H new ATOM 0 HB3 SER A1145 -9.703 8.275 6.703 1.00 5.40 H new ATOM 0 HG SER A1145 -9.285 6.608 8.262 1.00 5.26 H new ATOM 593 N THR A1146 -10.504 7.823 2.941 1.00 5.97 N ATOM 594 CA THR A1146 -10.250 8.653 1.783 1.00 6.81 C ATOM 595 C THR A1146 -11.019 9.965 1.875 1.00 7.34 C ATOM 596 O THR A1146 -12.139 10.082 1.381 1.00 8.15 O ATOM 597 CB THR A1146 -10.621 7.902 0.492 1.00 7.69 C ATOM 598 OG1 THR A1146 -11.900 7.270 0.643 1.00 7.92 O ATOM 599 CG2 THR A1146 -9.569 6.855 0.163 1.00 7.74 C ATOM 0 H THR A1146 -11.307 7.202 2.841 1.00 5.97 H new ATOM 0 HA THR A1146 -9.185 8.885 1.758 1.00 6.81 H new ATOM 0 HB THR A1146 -10.668 8.622 -0.325 1.00 7.69 H new ATOM 0 HG1 THR A1146 -12.558 7.931 0.944 1.00 7.92 H new ATOM 0 HG21 THR A1146 -9.848 6.334 -0.753 1.00 7.74 H new ATOM 0 HG22 THR A1146 -8.603 7.341 0.024 1.00 7.74 H new ATOM 0 HG23 THR A1146 -9.500 6.138 0.981 1.00 7.74 H new ATOM 607 N GLU A1147 -10.401 10.954 2.507 1.00 7.13 N ATOM 608 CA GLU A1147 -11.033 12.251 2.721 1.00 7.94 C ATOM 609 C GLU A1147 -11.308 12.953 1.395 1.00 8.95 C ATOM 610 O GLU A1147 -12.232 13.758 1.293 1.00 9.87 O ATOM 611 CB GLU A1147 -10.173 13.149 3.628 1.00 7.79 C ATOM 612 CG GLU A1147 -8.762 13.416 3.114 1.00 7.90 C ATOM 613 CD GLU A1147 -7.874 12.190 3.166 1.00 8.00 C ATOM 614 OE1 GLU A1147 -7.402 11.838 4.264 1.00 8.23 O ATOM 615 OE2 GLU A1147 -7.654 11.568 2.107 1.00 8.08 O ATOM 0 H GLU A1147 -9.456 10.882 2.883 1.00 7.13 H new ATOM 0 HA GLU A1147 -11.984 12.070 3.221 1.00 7.94 H new ATOM 0 HB2 GLU A1147 -10.683 14.103 3.759 1.00 7.79 H new ATOM 0 HB3 GLU A1147 -10.104 12.687 4.613 1.00 7.79 H new ATOM 0 HG2 GLU A1147 -8.817 13.775 2.086 1.00 7.90 H new ATOM 0 HG3 GLU A1147 -8.310 14.212 3.706 1.00 7.90 H new ATOM 622 N THR A1148 -10.516 12.632 0.383 1.00 8.94 N ATOM 623 CA THR A1148 -10.698 13.213 -0.938 1.00 10.03 C ATOM 624 C THR A1148 -11.949 12.661 -1.616 1.00 10.71 C ATOM 625 O THR A1148 -12.723 13.409 -2.216 1.00 11.12 O ATOM 626 CB THR A1148 -9.464 12.967 -1.821 1.00 10.21 C ATOM 627 OG1 THR A1148 -8.888 11.693 -1.500 1.00 9.58 O ATOM 628 CG2 THR A1148 -8.428 14.064 -1.625 1.00 11.01 C ATOM 0 H THR A1148 -9.741 11.972 0.452 1.00 8.94 H new ATOM 0 HA THR A1148 -10.824 14.288 -0.809 1.00 10.03 H new ATOM 0 HB THR A1148 -9.779 12.975 -2.865 1.00 10.21 H new ATOM 0 HG1 THR A1148 -8.103 11.537 -2.065 1.00 9.58 H new ATOM 0 HG21 THR A1148 -7.565 13.867 -2.261 1.00 11.01 H new ATOM 0 HG22 THR A1148 -8.863 15.027 -1.892 1.00 11.01 H new ATOM 0 HG23 THR A1148 -8.113 14.085 -0.582 1.00 11.01 H new TER 636 THR A1148 HETATM 637 CA CA A1201 -1.473 -2.783 -5.690 1.00 0.28 CA