USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 289 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A1114 TYR OH : rot -30:sc= 0.94 USER MOD Set 1.2: A1141 LYS NZ :NH3+ 156:sc= 1.04 (180deg=-0.316) USER MOD Set 1.3: A1142 ASN : amide:sc= 2.29 K(o=4.3,f=-8.9!) USER MOD Single : A1103 THR OG1 : rot 29:sc= 0.212 USER MOD Single : A1104 HIS : no HD1:sc= 0 X(o=0,f=-0.00054) USER MOD Single : A1108 SER OG : rot 45:sc= 0.156 USER MOD Single : A1112 THR OG1 : rot 180:sc= 0.00218 USER MOD Single : A1113 GLN : amide:sc= -1.49 K(o=-1.5,f=-8.7!) USER MOD Single : A1115 THR OG1 : rot -60:sc= 0.817 USER MOD Single : A1118 ASN : amide:sc= 1.28 K(o=1.3,f=-1.9!) USER MOD Single : A1119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1120 GLN : amide:sc= 0.586 K(o=0.59,f=-5.6!) USER MOD Single : A1123 SER OG : rot 180:sc= 0.0358 USER MOD Single : A1124 LYS NZ :NH3+ -162:sc= -0.0577 (180deg=-0.347) USER MOD Single : A1125 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A1130 THR OG1 : rot 10:sc= 0.94 USER MOD Single : A1132 ASN : amide:sc= -1.04 K(o=-1,f=-2) USER MOD Single : A1138 SER OG : rot 80:sc= 0.442 USER MOD Single : A1144 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.12) USER MOD Single : A1145 SER OG : rot 180:sc= 0.0368 USER MOD Single : A1146 THR OG1 : rot 180:sc= 0.0899 USER MOD Single : A1148 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A1103 11.879 -7.149 12.282 1.00 12.23 N ATOM 2 CA THR A1103 11.578 -6.817 13.689 1.00 11.73 C ATOM 3 C THR A1103 10.889 -5.457 13.789 1.00 10.83 C ATOM 4 O THR A1103 9.899 -5.310 14.504 1.00 10.67 O ATOM 5 CB THR A1103 12.864 -6.805 14.541 1.00 11.83 C ATOM 6 OG1 THR A1103 13.615 -8.007 14.304 1.00 12.26 O ATOM 7 CG2 THR A1103 12.536 -6.697 16.024 1.00 12.04 C ATOM 0 HA THR A1103 10.908 -7.586 14.072 1.00 11.73 H new ATOM 0 HB THR A1103 13.455 -5.936 14.253 1.00 11.83 H new ATOM 0 HG1 THR A1103 13.439 -8.329 13.395 1.00 12.26 H new ATOM 0 HG21 THR A1103 13.460 -6.691 16.602 1.00 12.04 H new ATOM 0 HG22 THR A1103 11.986 -5.774 16.209 1.00 12.04 H new ATOM 0 HG23 THR A1103 11.926 -7.549 16.325 1.00 12.04 H new ATOM 17 N HIS A1104 11.402 -4.465 13.060 1.00 10.41 N ATOM 18 CA HIS A1104 10.815 -3.129 13.077 1.00 9.72 C ATOM 19 C HIS A1104 11.402 -2.256 11.970 1.00 8.65 C ATOM 20 O HIS A1104 10.689 -1.461 11.360 1.00 8.32 O ATOM 21 CB HIS A1104 11.029 -2.458 14.440 1.00 10.05 C ATOM 22 CG HIS A1104 10.369 -1.117 14.560 1.00 10.43 C ATOM 23 ND1 HIS A1104 11.044 0.074 14.399 1.00 10.71 N ATOM 24 CD2 HIS A1104 9.083 -0.785 14.824 1.00 10.84 C ATOM 25 CE1 HIS A1104 10.202 1.078 14.559 1.00 11.25 C ATOM 26 NE2 HIS A1104 9.008 0.584 14.816 1.00 11.34 N ATOM 0 H HIS A1104 12.217 -4.562 12.455 1.00 10.41 H new ATOM 0 HA HIS A1104 9.745 -3.237 12.901 1.00 9.72 H new ATOM 0 HB2 HIS A1104 10.646 -3.113 15.222 1.00 10.05 H new ATOM 0 HB3 HIS A1104 12.099 -2.344 14.615 1.00 10.05 H new ATOM 0 HD2 HIS A1104 8.269 -1.470 15.007 1.00 10.84 H new ATOM 0 HE1 HIS A1104 10.450 2.127 14.491 1.00 11.25 H new ATOM 0 HE2 HIS A1104 8.164 1.132 14.982 1.00 11.34 H new ATOM 35 N ALA A1105 12.702 -2.403 11.729 1.00 8.30 N ATOM 36 CA ALA A1105 13.397 -1.617 10.713 1.00 7.41 C ATOM 37 C ALA A1105 12.733 -1.759 9.345 1.00 6.47 C ATOM 38 O ALA A1105 12.587 -2.871 8.829 1.00 6.54 O ATOM 39 CB ALA A1105 14.859 -2.033 10.635 1.00 7.70 C ATOM 0 H ALA A1105 13.299 -3.064 12.227 1.00 8.30 H new ATOM 0 HA ALA A1105 13.339 -0.568 11.004 1.00 7.41 H new ATOM 0 HB1 ALA A1105 15.366 -1.440 9.874 1.00 7.70 H new ATOM 0 HB2 ALA A1105 15.336 -1.868 11.601 1.00 7.70 H new ATOM 0 HB3 ALA A1105 14.923 -3.089 10.374 1.00 7.70 H new ATOM 45 N PRO A1106 12.308 -0.635 8.754 1.00 5.80 N ATOM 46 CA PRO A1106 11.654 -0.627 7.449 1.00 4.97 C ATOM 47 C PRO A1106 12.655 -0.749 6.306 1.00 4.25 C ATOM 48 O PRO A1106 13.815 -0.351 6.435 1.00 4.22 O ATOM 49 CB PRO A1106 10.964 0.737 7.417 1.00 4.84 C ATOM 50 CG PRO A1106 11.820 1.613 8.267 1.00 5.55 C ATOM 51 CD PRO A1106 12.429 0.724 9.320 1.00 6.09 C ATOM 0 HA PRO A1106 10.973 -1.468 7.321 1.00 4.97 H new ATOM 0 HB2 PRO A1106 10.892 1.121 6.399 1.00 4.84 H new ATOM 0 HB3 PRO A1106 9.948 0.676 7.808 1.00 4.84 H new ATOM 0 HG2 PRO A1106 12.595 2.095 7.671 1.00 5.55 H new ATOM 0 HG3 PRO A1106 11.229 2.407 8.724 1.00 5.55 H new ATOM 0 HD2 PRO A1106 13.470 0.986 9.510 1.00 6.09 H new ATOM 0 HD3 PRO A1106 11.900 0.810 10.269 1.00 6.09 H new ATOM 59 N ALA A1107 12.208 -1.307 5.191 1.00 4.09 N ATOM 60 CA ALA A1107 13.068 -1.478 4.031 1.00 3.77 C ATOM 61 C ALA A1107 13.178 -0.175 3.251 1.00 2.63 C ATOM 62 O ALA A1107 12.176 0.370 2.785 1.00 2.62 O ATOM 63 CB ALA A1107 12.551 -2.597 3.137 1.00 4.73 C ATOM 0 H ALA A1107 11.255 -1.649 5.065 1.00 4.09 H new ATOM 0 HA ALA A1107 14.063 -1.754 4.380 1.00 3.77 H new ATOM 0 HB1 ALA A1107 13.209 -2.708 2.275 1.00 4.73 H new ATOM 0 HB2 ALA A1107 12.529 -3.531 3.699 1.00 4.73 H new ATOM 0 HB3 ALA A1107 11.545 -2.355 2.796 1.00 4.73 H new ATOM 69 N SER A1108 14.392 0.329 3.129 1.00 2.16 N ATOM 70 CA SER A1108 14.631 1.575 2.423 1.00 1.43 C ATOM 71 C SER A1108 14.500 1.374 0.915 1.00 1.29 C ATOM 72 O SER A1108 15.380 0.803 0.272 1.00 1.97 O ATOM 73 CB SER A1108 16.016 2.106 2.782 1.00 2.09 C ATOM 74 OG SER A1108 16.989 1.076 2.702 1.00 2.97 O ATOM 0 H SER A1108 15.231 -0.107 3.511 1.00 2.16 H new ATOM 0 HA SER A1108 13.882 2.307 2.726 1.00 1.43 H new ATOM 0 HB2 SER A1108 16.285 2.919 2.107 1.00 2.09 H new ATOM 0 HB3 SER A1108 16.001 2.520 3.790 1.00 2.09 H new ATOM 0 HG SER A1108 16.858 0.566 1.875 1.00 2.97 H new ATOM 80 N CYS A1109 13.387 1.824 0.364 1.00 0.72 N ATOM 81 CA CYS A1109 13.125 1.682 -1.058 1.00 0.49 C ATOM 82 C CYS A1109 13.382 2.992 -1.795 1.00 0.46 C ATOM 83 O CYS A1109 14.002 3.913 -1.251 1.00 0.62 O ATOM 84 CB CYS A1109 11.687 1.210 -1.277 1.00 0.33 C ATOM 85 SG CYS A1109 11.309 -0.377 -0.462 1.00 0.47 S ATOM 0 H CYS A1109 12.645 2.294 0.883 1.00 0.72 H new ATOM 0 HA CYS A1109 13.807 0.935 -1.464 1.00 0.49 H new ATOM 0 HB2 CYS A1109 11.002 1.972 -0.905 1.00 0.33 H new ATOM 0 HB3 CYS A1109 11.504 1.112 -2.347 1.00 0.33 H new ATOM 90 N LEU A1110 12.926 3.059 -3.035 1.00 0.34 N ATOM 91 CA LEU A1110 13.085 4.247 -3.862 1.00 0.32 C ATOM 92 C LEU A1110 12.186 5.372 -3.358 1.00 0.29 C ATOM 93 O LEU A1110 11.355 5.160 -2.474 1.00 0.30 O ATOM 94 CB LEU A1110 12.707 3.901 -5.300 1.00 0.28 C ATOM 95 CG LEU A1110 13.455 4.636 -6.408 1.00 0.38 C ATOM 96 CD1 LEU A1110 14.953 4.372 -6.327 1.00 0.52 C ATOM 97 CD2 LEU A1110 12.905 4.202 -7.759 1.00 0.39 C ATOM 0 H LEU A1110 12.436 2.293 -3.497 1.00 0.34 H new ATOM 0 HA LEU A1110 14.121 4.581 -3.814 1.00 0.32 H new ATOM 0 HB2 LEU A1110 12.857 2.831 -5.442 1.00 0.28 H new ATOM 0 HB3 LEU A1110 11.641 4.093 -5.426 1.00 0.28 H new ATOM 0 HG LEU A1110 13.305 5.709 -6.285 1.00 0.38 H new ATOM 0 HD11 LEU A1110 15.461 4.908 -7.129 1.00 0.52 H new ATOM 0 HD12 LEU A1110 15.331 4.715 -5.364 1.00 0.52 H new ATOM 0 HD13 LEU A1110 15.140 3.303 -6.430 1.00 0.52 H new ATOM 0 HD21 LEU A1110 13.437 4.725 -8.554 1.00 0.39 H new ATOM 0 HD22 LEU A1110 13.040 3.127 -7.879 1.00 0.39 H new ATOM 0 HD23 LEU A1110 11.843 4.443 -7.814 1.00 0.39 H new ATOM 109 N ASP A1111 12.333 6.554 -3.929 1.00 0.35 N ATOM 110 CA ASP A1111 11.476 7.673 -3.565 1.00 0.38 C ATOM 111 C ASP A1111 10.100 7.516 -4.198 1.00 0.32 C ATOM 112 O ASP A1111 9.083 7.838 -3.586 1.00 0.42 O ATOM 113 CB ASP A1111 12.108 9.005 -3.970 1.00 0.51 C ATOM 114 CG ASP A1111 13.207 9.429 -3.022 1.00 1.37 C ATOM 115 OD1 ASP A1111 12.890 10.032 -1.977 1.00 1.53 O ATOM 116 OD2 ASP A1111 14.392 9.160 -3.312 1.00 2.32 O ATOM 0 H ASP A1111 13.032 6.765 -4.642 1.00 0.35 H new ATOM 0 HA ASP A1111 11.361 7.674 -2.481 1.00 0.38 H new ATOM 0 HB2 ASP A1111 12.513 8.921 -4.978 1.00 0.51 H new ATOM 0 HB3 ASP A1111 11.338 9.776 -3.999 1.00 0.51 H new ATOM 121 N THR A1112 10.072 7.002 -5.419 1.00 0.28 N ATOM 122 CA THR A1112 8.814 6.717 -6.091 1.00 0.31 C ATOM 123 C THR A1112 8.365 5.283 -5.828 1.00 0.24 C ATOM 124 O THR A1112 7.388 4.805 -6.412 1.00 0.30 O ATOM 125 CB THR A1112 8.913 6.957 -7.608 1.00 0.42 C ATOM 126 OG1 THR A1112 10.100 6.346 -8.128 1.00 0.45 O ATOM 127 CG2 THR A1112 8.916 8.446 -7.919 1.00 0.52 C ATOM 0 H THR A1112 10.904 6.774 -5.963 1.00 0.28 H new ATOM 0 HA THR A1112 8.073 7.403 -5.681 1.00 0.31 H new ATOM 0 HB THR A1112 8.042 6.506 -8.084 1.00 0.42 H new ATOM 0 HG1 THR A1112 10.153 6.503 -9.094 1.00 0.45 H new ATOM 0 HG21 THR A1112 8.987 8.592 -8.997 1.00 0.52 H new ATOM 0 HG22 THR A1112 7.994 8.896 -7.551 1.00 0.52 H new ATOM 0 HG23 THR A1112 9.770 8.918 -7.432 1.00 0.52 H new ATOM 135 N GLN A1113 9.091 4.588 -4.960 1.00 0.18 N ATOM 136 CA GLN A1113 8.698 3.260 -4.539 1.00 0.17 C ATOM 137 C GLN A1113 8.031 3.288 -3.180 1.00 0.17 C ATOM 138 O GLN A1113 8.212 4.217 -2.395 1.00 0.23 O ATOM 139 CB GLN A1113 9.895 2.325 -4.491 1.00 0.17 C ATOM 140 CG GLN A1113 10.312 1.821 -5.854 1.00 0.23 C ATOM 141 CD GLN A1113 11.376 0.750 -5.773 1.00 0.35 C ATOM 142 OE1 GLN A1113 12.183 0.731 -4.840 1.00 1.02 O ATOM 143 NE2 GLN A1113 11.387 -0.148 -6.740 1.00 0.67 N ATOM 0 H GLN A1113 9.955 4.928 -4.537 1.00 0.18 H new ATOM 0 HA GLN A1113 7.984 2.890 -5.275 1.00 0.17 H new ATOM 0 HB2 GLN A1113 10.735 2.844 -4.030 1.00 0.17 H new ATOM 0 HB3 GLN A1113 9.658 1.474 -3.853 1.00 0.17 H new ATOM 0 HG2 GLN A1113 9.440 1.424 -6.374 1.00 0.23 H new ATOM 0 HG3 GLN A1113 10.685 2.655 -6.448 1.00 0.23 H new ATOM 0 HE21 GLN A1113 10.701 -0.095 -7.493 1.00 0.67 H new ATOM 0 HE22 GLN A1113 12.082 -0.895 -6.734 1.00 0.67 H new ATOM 152 N TYR A1114 7.260 2.258 -2.924 1.00 0.15 N ATOM 153 CA TYR A1114 6.602 2.084 -1.648 1.00 0.16 C ATOM 154 C TYR A1114 7.184 0.879 -0.941 1.00 0.15 C ATOM 155 O TYR A1114 7.597 -0.089 -1.582 1.00 0.15 O ATOM 156 CB TYR A1114 5.101 1.885 -1.841 1.00 0.18 C ATOM 157 CG TYR A1114 4.330 1.676 -0.555 1.00 0.22 C ATOM 158 CD1 TYR A1114 4.160 2.721 0.348 1.00 0.33 C ATOM 159 CD2 TYR A1114 3.763 0.448 -0.248 1.00 0.21 C ATOM 160 CE1 TYR A1114 3.448 2.545 1.518 1.00 0.39 C ATOM 161 CE2 TYR A1114 3.051 0.264 0.922 1.00 0.26 C ATOM 162 CZ TYR A1114 2.933 1.267 1.815 1.00 0.34 C ATOM 163 OH TYR A1114 2.177 1.139 2.959 1.00 0.41 O ATOM 0 H TYR A1114 7.070 1.514 -3.596 1.00 0.15 H new ATOM 0 HA TYR A1114 6.762 2.979 -1.047 1.00 0.16 H new ATOM 0 HB2 TYR A1114 4.694 2.755 -2.357 1.00 0.18 H new ATOM 0 HB3 TYR A1114 4.941 1.025 -2.491 1.00 0.18 H new ATOM 0 HD1 TYR A1114 4.592 3.686 0.130 1.00 0.33 H new ATOM 0 HD2 TYR A1114 3.880 -0.378 -0.934 1.00 0.21 H new ATOM 0 HE1 TYR A1114 3.289 3.372 2.194 1.00 0.39 H new ATOM 0 HE2 TYR A1114 2.586 -0.690 1.122 1.00 0.26 H new ATOM 0 HH TYR A1114 2.481 1.789 3.627 1.00 0.41 H new ATOM 173 N THR A1115 7.205 0.944 0.370 1.00 0.18 N ATOM 174 CA THR A1115 7.702 -0.148 1.174 1.00 0.20 C ATOM 175 C THR A1115 6.538 -0.925 1.760 1.00 0.23 C ATOM 176 O THR A1115 5.833 -0.437 2.647 1.00 0.31 O ATOM 177 CB THR A1115 8.608 0.346 2.316 1.00 0.26 C ATOM 178 OG1 THR A1115 9.569 1.284 1.805 1.00 0.30 O ATOM 179 CG2 THR A1115 9.334 -0.825 2.965 1.00 0.27 C ATOM 0 H THR A1115 6.881 1.749 0.906 1.00 0.18 H new ATOM 0 HA THR A1115 8.296 -0.790 0.524 1.00 0.20 H new ATOM 0 HB THR A1115 7.986 0.834 3.066 1.00 0.26 H new ATOM 0 HG1 THR A1115 10.122 0.848 1.123 1.00 0.30 H new ATOM 0 HG21 THR A1115 9.970 -0.458 3.770 1.00 0.27 H new ATOM 0 HG22 THR A1115 8.604 -1.526 3.370 1.00 0.27 H new ATOM 0 HG23 THR A1115 9.948 -1.331 2.220 1.00 0.27 H new ATOM 187 N CYS A1116 6.321 -2.117 1.236 1.00 0.26 N ATOM 188 CA CYS A1116 5.255 -2.978 1.712 1.00 0.34 C ATOM 189 C CYS A1116 5.490 -3.381 3.161 1.00 0.40 C ATOM 190 O CYS A1116 6.616 -3.306 3.659 1.00 0.37 O ATOM 191 CB CYS A1116 5.163 -4.233 0.849 1.00 0.45 C ATOM 192 SG CYS A1116 4.922 -3.905 -0.922 1.00 0.65 S ATOM 0 H CYS A1116 6.873 -2.513 0.475 1.00 0.26 H new ATOM 0 HA CYS A1116 4.320 -2.421 1.646 1.00 0.34 H new ATOM 0 HB2 CYS A1116 6.075 -4.816 0.978 1.00 0.45 H new ATOM 0 HB3 CYS A1116 4.338 -4.848 1.209 1.00 0.45 H new ATOM 197 N ASP A1117 4.431 -3.826 3.822 1.00 0.56 N ATOM 198 CA ASP A1117 4.537 -4.330 5.187 1.00 0.69 C ATOM 199 C ASP A1117 5.496 -5.513 5.228 1.00 0.65 C ATOM 200 O ASP A1117 6.203 -5.727 6.210 1.00 0.71 O ATOM 201 CB ASP A1117 3.161 -4.752 5.702 1.00 0.93 C ATOM 202 CG ASP A1117 3.189 -5.217 7.141 1.00 1.83 C ATOM 203 OD1 ASP A1117 3.237 -4.355 8.044 1.00 2.62 O ATOM 204 OD2 ASP A1117 3.141 -6.444 7.375 1.00 2.09 O ATOM 0 H ASP A1117 3.487 -3.849 3.436 1.00 0.56 H new ATOM 0 HA ASP A1117 4.922 -3.537 5.828 1.00 0.69 H new ATOM 0 HB2 ASP A1117 2.471 -3.913 5.610 1.00 0.93 H new ATOM 0 HB3 ASP A1117 2.774 -5.554 5.074 1.00 0.93 H new ATOM 209 N ASN A1118 5.540 -6.251 4.120 1.00 0.69 N ATOM 210 CA ASN A1118 6.419 -7.408 3.984 1.00 0.75 C ATOM 211 C ASN A1118 7.858 -6.985 3.685 1.00 0.59 C ATOM 212 O ASN A1118 8.686 -7.814 3.308 1.00 0.65 O ATOM 213 CB ASN A1118 5.927 -8.332 2.861 1.00 0.98 C ATOM 214 CG ASN A1118 4.491 -8.756 3.016 1.00 1.77 C ATOM 215 OD1 ASN A1118 3.577 -8.088 2.522 1.00 2.75 O ATOM 216 ND2 ASN A1118 4.276 -9.868 3.675 1.00 2.02 N ATOM 0 H ASN A1118 4.969 -6.064 3.295 1.00 0.69 H new ATOM 0 HA ASN A1118 6.398 -7.941 4.935 1.00 0.75 H new ATOM 0 HB2 ASN A1118 6.046 -7.823 1.905 1.00 0.98 H new ATOM 0 HB3 ASN A1118 6.558 -9.220 2.830 1.00 0.98 H new ATOM 0 HD21 ASN A1118 3.324 -10.213 3.796 1.00 2.02 H new ATOM 0 HD22 ASN A1118 5.061 -10.389 4.067 1.00 2.02 H new ATOM 223 N HIS A1119 8.143 -5.689 3.855 1.00 0.46 N ATOM 224 CA HIS A1119 9.471 -5.127 3.591 1.00 0.41 C ATOM 225 C HIS A1119 9.847 -5.305 2.121 1.00 0.44 C ATOM 226 O HIS A1119 10.938 -5.773 1.799 1.00 0.79 O ATOM 227 CB HIS A1119 10.539 -5.782 4.485 1.00 0.51 C ATOM 228 CG HIS A1119 10.326 -5.582 5.956 1.00 0.63 C ATOM 229 ND1 HIS A1119 9.728 -6.525 6.767 1.00 0.94 N ATOM 230 CD2 HIS A1119 10.649 -4.547 6.765 1.00 0.78 C ATOM 231 CE1 HIS A1119 9.692 -6.075 8.005 1.00 1.05 C ATOM 232 NE2 HIS A1119 10.244 -4.877 8.033 1.00 0.93 N ATOM 0 H HIS A1119 7.461 -5.003 4.178 1.00 0.46 H new ATOM 0 HA HIS A1119 9.432 -4.063 3.823 1.00 0.41 H new ATOM 0 HB2 HIS A1119 10.563 -6.852 4.276 1.00 0.51 H new ATOM 0 HB3 HIS A1119 11.516 -5.382 4.214 1.00 0.51 H new ATOM 0 HD2 HIS A1119 11.136 -3.630 6.467 1.00 0.78 H new ATOM 0 HE1 HIS A1119 9.280 -6.599 8.855 1.00 1.05 H new ATOM 0 HE2 HIS A1119 10.352 -4.292 8.862 1.00 0.93 H new ATOM 241 N GLN A1120 8.936 -4.925 1.235 1.00 0.40 N ATOM 242 CA GLN A1120 9.148 -5.092 -0.198 1.00 0.38 C ATOM 243 C GLN A1120 9.036 -3.747 -0.911 1.00 0.29 C ATOM 244 O GLN A1120 8.268 -2.884 -0.494 1.00 0.39 O ATOM 245 CB GLN A1120 8.130 -6.087 -0.768 1.00 0.49 C ATOM 246 CG GLN A1120 8.306 -6.372 -2.253 1.00 0.50 C ATOM 247 CD GLN A1120 9.687 -6.900 -2.585 1.00 1.05 C ATOM 248 OE1 GLN A1120 10.605 -6.132 -2.876 1.00 1.91 O ATOM 249 NE2 GLN A1120 9.849 -8.210 -2.534 1.00 1.51 N ATOM 0 H GLN A1120 8.043 -4.499 1.483 1.00 0.40 H new ATOM 0 HA GLN A1120 10.151 -5.486 -0.362 1.00 0.38 H new ATOM 0 HB2 GLN A1120 8.206 -7.025 -0.217 1.00 0.49 H new ATOM 0 HB3 GLN A1120 7.125 -5.699 -0.600 1.00 0.49 H new ATOM 0 HG2 GLN A1120 7.557 -7.098 -2.571 1.00 0.50 H new ATOM 0 HG3 GLN A1120 8.125 -5.458 -2.819 1.00 0.50 H new ATOM 0 HE21 GLN A1120 9.063 -8.812 -2.289 1.00 1.51 H new ATOM 0 HE22 GLN A1120 10.760 -8.620 -2.740 1.00 1.51 H new ATOM 258 N CYS A1121 9.801 -3.582 -1.978 1.00 0.21 N ATOM 259 CA CYS A1121 9.827 -2.333 -2.717 1.00 0.21 C ATOM 260 C CYS A1121 9.008 -2.436 -4.000 1.00 0.20 C ATOM 261 O CYS A1121 9.422 -3.081 -4.966 1.00 0.34 O ATOM 262 CB CYS A1121 11.270 -1.953 -3.044 1.00 0.34 C ATOM 263 SG CYS A1121 12.323 -1.738 -1.572 1.00 0.42 S ATOM 0 H CYS A1121 10.416 -4.304 -2.353 1.00 0.21 H new ATOM 0 HA CYS A1121 9.382 -1.557 -2.094 1.00 0.21 H new ATOM 0 HB2 CYS A1121 11.704 -2.724 -3.681 1.00 0.34 H new ATOM 0 HB3 CYS A1121 11.271 -1.027 -3.619 1.00 0.34 H new ATOM 268 N ILE A1122 7.838 -1.814 -3.995 1.00 0.15 N ATOM 269 CA ILE A1122 6.998 -1.755 -5.183 1.00 0.14 C ATOM 270 C ILE A1122 6.865 -0.314 -5.649 1.00 0.14 C ATOM 271 O ILE A1122 7.336 0.597 -4.983 1.00 0.18 O ATOM 272 CB ILE A1122 5.590 -2.328 -4.934 1.00 0.14 C ATOM 273 CG1 ILE A1122 4.856 -1.505 -3.875 1.00 0.13 C ATOM 274 CG2 ILE A1122 5.671 -3.793 -4.522 1.00 0.19 C ATOM 275 CD1 ILE A1122 3.382 -1.819 -3.790 1.00 0.17 C ATOM 0 H ILE A1122 7.448 -1.342 -3.179 1.00 0.15 H new ATOM 0 HA ILE A1122 7.481 -2.364 -5.947 1.00 0.14 H new ATOM 0 HB ILE A1122 5.025 -2.269 -5.864 1.00 0.14 H new ATOM 0 HG12 ILE A1122 5.315 -1.684 -2.903 1.00 0.13 H new ATOM 0 HG13 ILE A1122 4.982 -0.445 -4.097 1.00 0.13 H new ATOM 0 HG21 ILE A1122 4.666 -4.179 -4.351 1.00 0.19 H new ATOM 0 HG22 ILE A1122 6.150 -4.368 -5.314 1.00 0.19 H new ATOM 0 HG23 ILE A1122 6.255 -3.882 -3.606 1.00 0.19 H new ATOM 0 HD11 ILE A1122 2.922 -1.200 -3.019 1.00 0.17 H new ATOM 0 HD12 ILE A1122 2.910 -1.613 -4.751 1.00 0.17 H new ATOM 0 HD13 ILE A1122 3.248 -2.871 -3.538 1.00 0.17 H new ATOM 287 N SER A1123 6.225 -0.104 -6.784 1.00 0.16 N ATOM 288 CA SER A1123 5.988 1.242 -7.276 1.00 0.17 C ATOM 289 C SER A1123 4.817 1.877 -6.532 1.00 0.15 C ATOM 290 O SER A1123 3.820 1.215 -6.241 1.00 0.17 O ATOM 291 CB SER A1123 5.696 1.215 -8.776 1.00 0.24 C ATOM 292 OG SER A1123 5.389 2.515 -9.259 1.00 0.33 O ATOM 0 H SER A1123 5.860 -0.846 -7.382 1.00 0.16 H new ATOM 0 HA SER A1123 6.884 1.837 -7.101 1.00 0.17 H new ATOM 0 HB2 SER A1123 6.559 0.819 -9.311 1.00 0.24 H new ATOM 0 HB3 SER A1123 4.862 0.543 -8.975 1.00 0.24 H new ATOM 0 HG SER A1123 5.208 2.472 -10.221 1.00 0.33 H new ATOM 298 N LYS A1124 4.943 3.169 -6.233 1.00 0.17 N ATOM 299 CA LYS A1124 3.885 3.908 -5.552 1.00 0.19 C ATOM 300 C LYS A1124 2.633 4.004 -6.416 1.00 0.22 C ATOM 301 O LYS A1124 1.540 4.259 -5.913 1.00 0.25 O ATOM 302 CB LYS A1124 4.354 5.312 -5.167 1.00 0.23 C ATOM 303 CG LYS A1124 5.265 5.340 -3.954 1.00 0.25 C ATOM 304 CD LYS A1124 5.606 6.765 -3.550 1.00 0.25 C ATOM 305 CE LYS A1124 6.373 6.806 -2.238 1.00 0.30 C ATOM 306 NZ LYS A1124 5.569 6.277 -1.104 1.00 1.24 N ATOM 0 H LYS A1124 5.769 3.725 -6.453 1.00 0.17 H new ATOM 0 HA LYS A1124 3.641 3.357 -4.644 1.00 0.19 H new ATOM 0 HB2 LYS A1124 4.878 5.755 -6.014 1.00 0.23 H new ATOM 0 HB3 LYS A1124 3.482 5.935 -4.970 1.00 0.23 H new ATOM 0 HG2 LYS A1124 4.781 4.830 -3.121 1.00 0.25 H new ATOM 0 HG3 LYS A1124 6.182 4.793 -4.173 1.00 0.25 H new ATOM 0 HD2 LYS A1124 6.200 7.234 -4.334 1.00 0.25 H new ATOM 0 HD3 LYS A1124 4.689 7.346 -3.454 1.00 0.25 H new ATOM 0 HE2 LYS A1124 7.289 6.223 -2.336 1.00 0.30 H new ATOM 0 HE3 LYS A1124 6.670 7.833 -2.024 1.00 0.30 H new ATOM 0 HZ1 LYS A1124 5.986 6.593 -0.205 1.00 1.24 H new ATOM 0 HZ2 LYS A1124 4.593 6.630 -1.176 1.00 1.24 H new ATOM 0 HZ3 LYS A1124 5.565 5.238 -1.137 1.00 1.24 H new ATOM 320 N ASN A1125 2.798 3.793 -7.718 1.00 0.24 N ATOM 321 CA ASN A1125 1.665 3.812 -8.638 1.00 0.28 C ATOM 322 C ASN A1125 0.899 2.496 -8.590 1.00 0.26 C ATOM 323 O ASN A1125 -0.170 2.365 -9.181 1.00 0.32 O ATOM 324 CB ASN A1125 2.132 4.100 -10.065 1.00 0.36 C ATOM 325 CG ASN A1125 2.387 5.576 -10.308 1.00 1.03 C ATOM 326 OD1 ASN A1125 2.717 6.328 -9.389 1.00 1.75 O ATOM 327 ND2 ASN A1125 2.238 6.001 -11.551 1.00 1.69 N ATOM 0 H ASN A1125 3.699 3.608 -8.158 1.00 0.24 H new ATOM 0 HA ASN A1125 0.993 4.611 -8.323 1.00 0.28 H new ATOM 0 HB2 ASN A1125 3.045 3.539 -10.265 1.00 0.36 H new ATOM 0 HB3 ASN A1125 1.379 3.744 -10.769 1.00 0.36 H new ATOM 0 HD21 ASN A1125 2.397 6.983 -11.777 1.00 1.69 H new ATOM 0 HD22 ASN A1125 1.964 5.347 -12.284 1.00 1.69 H new ATOM 334 N TRP A1126 1.451 1.519 -7.882 1.00 0.22 N ATOM 335 CA TRP A1126 0.787 0.236 -7.708 1.00 0.22 C ATOM 336 C TRP A1126 -0.024 0.248 -6.423 1.00 0.20 C ATOM 337 O TRP A1126 -0.902 -0.582 -6.223 1.00 0.26 O ATOM 338 CB TRP A1126 1.806 -0.905 -7.643 1.00 0.25 C ATOM 339 CG TRP A1126 2.648 -1.059 -8.874 1.00 0.31 C ATOM 340 CD1 TRP A1126 2.540 -0.367 -10.045 1.00 0.37 C ATOM 341 CD2 TRP A1126 3.728 -1.979 -9.050 1.00 0.38 C ATOM 342 NE1 TRP A1126 3.496 -0.792 -10.933 1.00 0.45 N ATOM 343 CE2 TRP A1126 4.237 -1.783 -10.347 1.00 0.45 C ATOM 344 CE3 TRP A1126 4.317 -2.948 -8.235 1.00 0.44 C ATOM 345 CZ2 TRP A1126 5.308 -2.520 -10.845 1.00 0.54 C ATOM 346 CZ3 TRP A1126 5.379 -3.678 -8.730 1.00 0.55 C ATOM 347 CH2 TRP A1126 5.866 -3.460 -10.024 1.00 0.58 C ATOM 0 H TRP A1126 2.357 1.592 -7.419 1.00 0.22 H new ATOM 0 HA TRP A1126 0.132 0.075 -8.564 1.00 0.22 H new ATOM 0 HB2 TRP A1126 2.462 -0.741 -6.788 1.00 0.25 H new ATOM 0 HB3 TRP A1126 1.275 -1.840 -7.463 1.00 0.25 H new ATOM 0 HD1 TRP A1126 1.809 0.403 -10.244 1.00 0.37 H new ATOM 0 HE1 TRP A1126 3.632 -0.429 -11.876 1.00 0.45 H new ATOM 0 HE3 TRP A1126 3.948 -3.123 -7.235 1.00 0.44 H new ATOM 0 HZ2 TRP A1126 5.684 -2.355 -11.844 1.00 0.54 H new ATOM 0 HZ3 TRP A1126 5.842 -4.430 -8.108 1.00 0.55 H new ATOM 0 HH2 TRP A1126 6.700 -4.046 -10.381 1.00 0.58 H new ATOM 358 N VAL A1127 0.286 1.193 -5.556 1.00 0.19 N ATOM 359 CA VAL A1127 -0.370 1.291 -4.262 1.00 0.18 C ATOM 360 C VAL A1127 -1.855 1.594 -4.423 1.00 0.19 C ATOM 361 O VAL A1127 -2.233 2.592 -5.039 1.00 0.23 O ATOM 362 CB VAL A1127 0.291 2.377 -3.387 1.00 0.21 C ATOM 363 CG1 VAL A1127 -0.422 2.517 -2.049 1.00 0.24 C ATOM 364 CG2 VAL A1127 1.761 2.056 -3.175 1.00 0.24 C ATOM 0 H VAL A1127 0.993 1.909 -5.724 1.00 0.19 H new ATOM 0 HA VAL A1127 -0.260 0.326 -3.767 1.00 0.18 H new ATOM 0 HB VAL A1127 0.209 3.330 -3.910 1.00 0.21 H new ATOM 0 HG11 VAL A1127 0.067 3.289 -1.455 1.00 0.24 H new ATOM 0 HG12 VAL A1127 -1.463 2.794 -2.218 1.00 0.24 H new ATOM 0 HG13 VAL A1127 -0.381 1.568 -1.514 1.00 0.24 H new ATOM 0 HG21 VAL A1127 2.217 2.829 -2.556 1.00 0.24 H new ATOM 0 HG22 VAL A1127 1.855 1.091 -2.677 1.00 0.24 H new ATOM 0 HG23 VAL A1127 2.268 2.017 -4.139 1.00 0.24 H new ATOM 374 N CYS A1128 -2.682 0.696 -3.891 1.00 0.19 N ATOM 375 CA CYS A1128 -4.133 0.870 -3.867 1.00 0.26 C ATOM 376 C CYS A1128 -4.709 0.913 -5.281 1.00 0.27 C ATOM 377 O CYS A1128 -5.583 1.724 -5.593 1.00 0.37 O ATOM 378 CB CYS A1128 -4.491 2.140 -3.106 1.00 0.32 C ATOM 379 SG CYS A1128 -5.997 2.013 -2.092 1.00 0.58 S ATOM 0 H CYS A1128 -2.364 -0.174 -3.464 1.00 0.19 H new ATOM 0 HA CYS A1128 -4.572 0.013 -3.356 1.00 0.26 H new ATOM 0 HB2 CYS A1128 -3.655 2.409 -2.460 1.00 0.32 H new ATOM 0 HB3 CYS A1128 -4.617 2.953 -3.821 1.00 0.32 H new ATOM 384 N ASP A1129 -4.228 0.014 -6.125 1.00 0.25 N ATOM 385 CA ASP A1129 -4.675 -0.065 -7.511 1.00 0.30 C ATOM 386 C ASP A1129 -5.650 -1.228 -7.670 1.00 0.37 C ATOM 387 O ASP A1129 -5.847 -1.743 -8.769 1.00 0.41 O ATOM 388 CB ASP A1129 -3.474 -0.247 -8.448 1.00 0.31 C ATOM 389 CG ASP A1129 -2.977 -1.678 -8.504 1.00 0.35 C ATOM 390 OD1 ASP A1129 -2.691 -2.257 -7.437 1.00 0.31 O ATOM 391 OD2 ASP A1129 -2.859 -2.225 -9.617 1.00 0.46 O ATOM 0 H ASP A1129 -3.522 -0.678 -5.874 1.00 0.25 H new ATOM 0 HA ASP A1129 -5.181 0.864 -7.775 1.00 0.30 H new ATOM 0 HB2 ASP A1129 -3.751 0.075 -9.452 1.00 0.31 H new ATOM 0 HB3 ASP A1129 -2.662 0.401 -8.119 1.00 0.31 H new ATOM 396 N THR A1130 -6.241 -1.623 -6.539 1.00 0.45 N ATOM 397 CA THR A1130 -7.174 -2.752 -6.437 1.00 0.56 C ATOM 398 C THR A1130 -6.534 -4.067 -6.883 1.00 0.61 C ATOM 399 O THR A1130 -7.214 -4.974 -7.362 1.00 0.73 O ATOM 400 CB THR A1130 -8.520 -2.517 -7.182 1.00 0.59 C ATOM 401 OG1 THR A1130 -8.323 -2.255 -8.576 1.00 0.56 O ATOM 402 CG2 THR A1130 -9.281 -1.360 -6.554 1.00 0.65 C ATOM 0 H THR A1130 -6.081 -1.156 -5.646 1.00 0.45 H new ATOM 0 HA THR A1130 -7.413 -2.828 -5.376 1.00 0.56 H new ATOM 0 HB THR A1130 -9.101 -3.434 -7.087 1.00 0.59 H new ATOM 0 HG1 THR A1130 -7.390 -2.437 -8.814 1.00 0.56 H new ATOM 0 HG21 THR A1130 -10.220 -1.210 -7.087 1.00 0.65 H new ATOM 0 HG22 THR A1130 -9.490 -1.587 -5.509 1.00 0.65 H new ATOM 0 HG23 THR A1130 -8.680 -0.453 -6.615 1.00 0.65 H new ATOM 410 N ASP A1131 -5.221 -4.159 -6.713 1.00 0.59 N ATOM 411 CA ASP A1131 -4.491 -5.384 -6.998 1.00 0.69 C ATOM 412 C ASP A1131 -3.385 -5.587 -5.969 1.00 0.67 C ATOM 413 O ASP A1131 -2.609 -4.674 -5.697 1.00 0.53 O ATOM 414 CB ASP A1131 -3.895 -5.321 -8.398 1.00 0.75 C ATOM 415 CG ASP A1131 -3.289 -6.639 -8.827 1.00 0.92 C ATOM 416 OD1 ASP A1131 -4.026 -7.644 -8.906 1.00 1.21 O ATOM 417 OD2 ASP A1131 -2.070 -6.680 -9.092 1.00 0.92 O ATOM 0 H ASP A1131 -4.638 -3.393 -6.377 1.00 0.59 H new ATOM 0 HA ASP A1131 -5.181 -6.226 -6.944 1.00 0.69 H new ATOM 0 HB2 ASP A1131 -4.671 -5.033 -9.107 1.00 0.75 H new ATOM 0 HB3 ASP A1131 -3.130 -4.545 -8.430 1.00 0.75 H new ATOM 422 N ASN A1132 -3.318 -6.773 -5.389 1.00 0.94 N ATOM 423 CA ASN A1132 -2.333 -7.056 -4.347 1.00 1.00 C ATOM 424 C ASN A1132 -0.950 -7.282 -4.946 1.00 0.91 C ATOM 425 O ASN A1132 -0.672 -8.343 -5.502 1.00 1.06 O ATOM 426 CB ASN A1132 -2.746 -8.285 -3.530 1.00 1.29 C ATOM 427 CG ASN A1132 -3.921 -8.021 -2.607 1.00 1.72 C ATOM 428 OD1 ASN A1132 -4.768 -7.172 -2.880 1.00 2.58 O ATOM 429 ND2 ASN A1132 -3.980 -8.753 -1.505 1.00 2.07 N ATOM 0 H ASN A1132 -3.930 -7.556 -5.618 1.00 0.94 H new ATOM 0 HA ASN A1132 -2.292 -6.188 -3.690 1.00 1.00 H new ATOM 0 HB2 ASN A1132 -3.002 -9.097 -4.211 1.00 1.29 H new ATOM 0 HB3 ASN A1132 -1.895 -8.622 -2.938 1.00 1.29 H new ATOM 0 HD21 ASN A1132 -4.748 -8.623 -0.847 1.00 2.07 H new ATOM 0 HD22 ASN A1132 -3.257 -9.447 -1.315 1.00 2.07 H new ATOM 436 N ASP A1133 -0.082 -6.282 -4.833 1.00 0.86 N ATOM 437 CA ASP A1133 1.278 -6.399 -5.354 1.00 0.77 C ATOM 438 C ASP A1133 2.191 -6.991 -4.298 1.00 0.78 C ATOM 439 O ASP A1133 2.986 -7.889 -4.577 1.00 1.28 O ATOM 440 CB ASP A1133 1.831 -5.045 -5.806 1.00 0.67 C ATOM 441 CG ASP A1133 1.063 -4.454 -6.967 1.00 0.58 C ATOM 442 OD1 ASP A1133 1.404 -4.751 -8.129 1.00 1.09 O ATOM 443 OD2 ASP A1133 0.115 -3.682 -6.721 1.00 1.00 O ATOM 0 H ASP A1133 -0.292 -5.388 -4.389 1.00 0.86 H new ATOM 0 HA ASP A1133 1.241 -7.057 -6.222 1.00 0.77 H new ATOM 0 HB2 ASP A1133 1.805 -4.349 -4.967 1.00 0.67 H new ATOM 0 HB3 ASP A1133 2.877 -5.162 -6.090 1.00 0.67 H new ATOM 448 N CYS A1134 2.063 -6.483 -3.081 1.00 0.76 N ATOM 449 CA CYS A1134 2.855 -6.969 -1.963 1.00 0.78 C ATOM 450 C CYS A1134 2.392 -8.362 -1.550 1.00 0.85 C ATOM 451 O CYS A1134 1.298 -8.790 -1.931 1.00 1.57 O ATOM 452 CB CYS A1134 2.733 -6.014 -0.776 1.00 0.82 C ATOM 453 SG CYS A1134 2.945 -4.256 -1.208 1.00 1.16 S ATOM 0 H CYS A1134 1.415 -5.732 -2.843 1.00 0.76 H new ATOM 0 HA CYS A1134 3.898 -7.020 -2.276 1.00 0.78 H new ATOM 0 HB2 CYS A1134 1.754 -6.148 -0.315 1.00 0.82 H new ATOM 0 HB3 CYS A1134 3.478 -6.285 -0.028 1.00 0.82 H new ATOM 458 N GLY A1135 3.214 -9.057 -0.766 1.00 1.17 N ATOM 459 CA GLY A1135 2.893 -10.412 -0.342 1.00 1.22 C ATOM 460 C GLY A1135 1.493 -10.541 0.231 1.00 1.18 C ATOM 461 O GLY A1135 0.719 -11.405 -0.190 1.00 1.68 O ATOM 0 H GLY A1135 4.104 -8.703 -0.414 1.00 1.17 H new ATOM 0 HA2 GLY A1135 2.995 -11.086 -1.193 1.00 1.22 H new ATOM 0 HA3 GLY A1135 3.617 -10.733 0.407 1.00 1.22 H new ATOM 465 N ASP A1136 1.157 -9.680 1.183 1.00 1.02 N ATOM 466 CA ASP A1136 -0.167 -9.704 1.798 1.00 1.11 C ATOM 467 C ASP A1136 -1.032 -8.553 1.301 1.00 0.93 C ATOM 468 O ASP A1136 -2.044 -8.217 1.916 1.00 1.35 O ATOM 469 CB ASP A1136 -0.060 -9.649 3.319 1.00 1.44 C ATOM 470 CG ASP A1136 0.554 -10.901 3.906 1.00 2.10 C ATOM 471 OD1 ASP A1136 -0.184 -11.887 4.124 1.00 2.47 O ATOM 472 OD2 ASP A1136 1.777 -10.910 4.153 1.00 2.85 O ATOM 0 H ASP A1136 1.779 -8.958 1.546 1.00 1.02 H new ATOM 0 HA ASP A1136 -0.642 -10.642 1.509 1.00 1.11 H new ATOM 0 HB2 ASP A1136 0.540 -8.786 3.606 1.00 1.44 H new ATOM 0 HB3 ASP A1136 -1.053 -9.502 3.744 1.00 1.44 H new ATOM 477 N GLY A1137 -0.634 -7.959 0.179 1.00 0.62 N ATOM 478 CA GLY A1137 -1.367 -6.831 -0.372 1.00 0.49 C ATOM 479 C GLY A1137 -1.447 -5.665 0.594 1.00 0.36 C ATOM 480 O GLY A1137 -2.491 -5.025 0.728 1.00 0.36 O ATOM 0 H GLY A1137 0.185 -8.239 -0.360 1.00 0.62 H new ATOM 0 HA2 GLY A1137 -0.885 -6.503 -1.293 1.00 0.49 H new ATOM 0 HA3 GLY A1137 -2.375 -7.150 -0.636 1.00 0.49 H new ATOM 484 N SER A1138 -0.338 -5.387 1.266 1.00 0.32 N ATOM 485 CA SER A1138 -0.289 -4.334 2.267 1.00 0.28 C ATOM 486 C SER A1138 -0.471 -2.960 1.631 1.00 0.25 C ATOM 487 O SER A1138 -0.946 -2.024 2.272 1.00 0.40 O ATOM 488 CB SER A1138 1.037 -4.398 3.019 1.00 0.33 C ATOM 489 OG SER A1138 2.137 -4.340 2.124 1.00 0.44 O ATOM 0 H SER A1138 0.545 -5.881 1.133 1.00 0.32 H new ATOM 0 HA SER A1138 -1.109 -4.488 2.969 1.00 0.28 H new ATOM 0 HB2 SER A1138 1.097 -3.572 3.727 1.00 0.33 H new ATOM 0 HB3 SER A1138 1.085 -5.319 3.599 1.00 0.33 H new ATOM 0 HG SER A1138 2.294 -3.410 1.859 1.00 0.44 H new ATOM 495 N ASP A1139 -0.122 -2.855 0.355 1.00 0.18 N ATOM 496 CA ASP A1139 -0.224 -1.596 -0.373 1.00 0.18 C ATOM 497 C ASP A1139 -1.686 -1.241 -0.625 1.00 0.20 C ATOM 498 O ASP A1139 -2.014 -0.110 -0.978 1.00 0.29 O ATOM 499 CB ASP A1139 0.528 -1.692 -1.701 1.00 0.19 C ATOM 500 CG ASP A1139 -0.097 -2.685 -2.663 1.00 0.26 C ATOM 501 OD1 ASP A1139 -0.060 -3.907 -2.388 1.00 0.33 O ATOM 502 OD2 ASP A1139 -0.629 -2.247 -3.701 1.00 0.32 O ATOM 0 H ASP A1139 0.236 -3.632 -0.200 1.00 0.18 H new ATOM 0 HA ASP A1139 0.226 -0.809 0.233 1.00 0.18 H new ATOM 0 HB2 ASP A1139 0.555 -0.708 -2.169 1.00 0.19 H new ATOM 0 HB3 ASP A1139 1.561 -1.982 -1.508 1.00 0.19 H new ATOM 507 N GLU A1140 -2.558 -2.219 -0.440 1.00 0.22 N ATOM 508 CA GLU A1140 -3.987 -2.019 -0.613 1.00 0.27 C ATOM 509 C GLU A1140 -4.681 -1.892 0.749 1.00 0.31 C ATOM 510 O GLU A1140 -5.819 -1.434 0.833 1.00 0.44 O ATOM 511 CB GLU A1140 -4.588 -3.213 -1.361 1.00 0.29 C ATOM 512 CG GLU A1140 -3.944 -3.512 -2.705 1.00 0.29 C ATOM 513 CD GLU A1140 -4.277 -2.481 -3.758 1.00 0.28 C ATOM 514 OE1 GLU A1140 -5.443 -2.037 -3.812 1.00 0.38 O ATOM 515 OE2 GLU A1140 -3.376 -2.114 -4.544 1.00 0.28 O ATOM 0 H GLU A1140 -2.298 -3.167 -0.168 1.00 0.22 H new ATOM 0 HA GLU A1140 -4.139 -1.102 -1.183 1.00 0.27 H new ATOM 0 HB2 GLU A1140 -4.506 -4.098 -0.730 1.00 0.29 H new ATOM 0 HB3 GLU A1140 -5.651 -3.029 -1.516 1.00 0.29 H new ATOM 0 HG2 GLU A1140 -2.862 -3.561 -2.581 1.00 0.29 H new ATOM 0 HG3 GLU A1140 -4.271 -4.494 -3.048 1.00 0.29 H new ATOM 522 N LYS A1141 -3.996 -2.304 1.816 1.00 0.30 N ATOM 523 CA LYS A1141 -4.634 -2.382 3.130 1.00 0.37 C ATOM 524 C LYS A1141 -4.584 -1.042 3.869 1.00 0.49 C ATOM 525 O LYS A1141 -5.527 -0.681 4.574 1.00 0.57 O ATOM 526 CB LYS A1141 -3.999 -3.490 3.991 1.00 0.47 C ATOM 527 CG LYS A1141 -2.675 -3.111 4.640 1.00 0.57 C ATOM 528 CD LYS A1141 -2.178 -4.194 5.579 1.00 0.76 C ATOM 529 CE LYS A1141 -0.883 -3.784 6.261 1.00 0.91 C ATOM 530 NZ LYS A1141 -1.023 -2.505 7.007 1.00 1.55 N ATOM 0 H LYS A1141 -3.016 -2.585 1.798 1.00 0.30 H new ATOM 0 HA LYS A1141 -5.681 -2.631 2.960 1.00 0.37 H new ATOM 0 HB2 LYS A1141 -4.704 -3.772 4.773 1.00 0.47 H new ATOM 0 HB3 LYS A1141 -3.844 -4.371 3.368 1.00 0.47 H new ATOM 0 HG2 LYS A1141 -1.929 -2.931 3.866 1.00 0.57 H new ATOM 0 HG3 LYS A1141 -2.794 -2.178 5.191 1.00 0.57 H new ATOM 0 HD2 LYS A1141 -2.938 -4.402 6.332 1.00 0.76 H new ATOM 0 HD3 LYS A1141 -2.021 -5.117 5.022 1.00 0.76 H new ATOM 0 HE2 LYS A1141 -0.571 -4.571 6.947 1.00 0.91 H new ATOM 0 HE3 LYS A1141 -0.097 -3.683 5.513 1.00 0.91 H new ATOM 0 HZ1 LYS A1141 -0.305 -2.461 7.759 1.00 1.55 H new ATOM 0 HZ2 LYS A1141 -0.890 -1.706 6.354 1.00 1.55 H new ATOM 0 HZ3 LYS A1141 -1.971 -2.452 7.430 1.00 1.55 H new ATOM 544 N ASN A1142 -3.496 -0.304 3.707 1.00 0.60 N ATOM 545 CA ASN A1142 -3.337 0.970 4.402 1.00 0.81 C ATOM 546 C ASN A1142 -3.099 2.098 3.413 1.00 0.91 C ATOM 547 O ASN A1142 -2.232 2.949 3.605 1.00 1.44 O ATOM 548 CB ASN A1142 -2.197 0.902 5.425 1.00 1.07 C ATOM 549 CG ASN A1142 -0.881 0.437 4.829 1.00 1.37 C ATOM 550 OD1 ASN A1142 -0.562 -0.751 4.854 1.00 2.05 O ATOM 551 ND2 ASN A1142 -0.116 1.367 4.289 1.00 1.92 N ATOM 0 H ASN A1142 -2.713 -0.561 3.105 1.00 0.60 H new ATOM 0 HA ASN A1142 -4.263 1.174 4.940 1.00 0.81 H new ATOM 0 HB2 ASN A1142 -2.058 1.887 5.870 1.00 1.07 H new ATOM 0 HB3 ASN A1142 -2.482 0.226 6.231 1.00 1.07 H new ATOM 0 HD21 ASN A1142 0.779 1.112 3.871 1.00 1.92 H new ATOM 0 HD22 ASN A1142 -0.419 2.341 4.290 1.00 1.92 H new ATOM 558 N CYS A1143 -3.894 2.111 2.365 1.00 0.76 N ATOM 559 CA CYS A1143 -3.751 3.082 1.315 1.00 0.99 C ATOM 560 C CYS A1143 -4.861 4.106 1.400 1.00 1.29 C ATOM 561 O CYS A1143 -6.019 3.775 1.671 1.00 1.67 O ATOM 562 CB CYS A1143 -3.794 2.394 -0.041 1.00 0.93 C ATOM 563 SG CYS A1143 -5.287 1.378 -0.304 1.00 1.10 S ATOM 0 H CYS A1143 -4.655 1.447 2.222 1.00 0.76 H new ATOM 0 HA CYS A1143 -2.791 3.584 1.432 1.00 0.99 H new ATOM 0 HB2 CYS A1143 -3.738 3.150 -0.824 1.00 0.93 H new ATOM 0 HB3 CYS A1143 -2.912 1.762 -0.145 1.00 0.93 H new ATOM 568 N ASN A1144 -4.501 5.345 1.188 1.00 1.87 N ATOM 569 CA ASN A1144 -5.477 6.416 1.130 1.00 2.36 C ATOM 570 C ASN A1144 -6.165 6.390 -0.227 1.00 3.05 C ATOM 571 O ASN A1144 -5.511 6.255 -1.264 1.00 3.73 O ATOM 572 CB ASN A1144 -4.816 7.783 1.378 1.00 3.11 C ATOM 573 CG ASN A1144 -4.084 8.333 0.164 1.00 3.87 C ATOM 574 OD1 ASN A1144 -2.933 7.987 -0.094 1.00 4.27 O ATOM 575 ND2 ASN A1144 -4.741 9.219 -0.571 1.00 4.59 N ATOM 0 H ASN A1144 -3.535 5.644 1.051 1.00 1.87 H new ATOM 0 HA ASN A1144 -6.217 6.265 1.916 1.00 2.36 H new ATOM 0 HB2 ASN A1144 -5.580 8.497 1.685 1.00 3.11 H new ATOM 0 HB3 ASN A1144 -4.113 7.693 2.206 1.00 3.11 H new ATOM 0 HD21 ASN A1144 -4.292 9.640 -1.384 1.00 4.59 H new ATOM 0 HD22 ASN A1144 -5.696 9.480 -0.323 1.00 4.59 H new ATOM 582 N SER A1145 -7.481 6.468 -0.223 1.00 3.53 N ATOM 583 CA SER A1145 -8.224 6.527 -1.463 1.00 4.69 C ATOM 584 C SER A1145 -8.074 7.902 -2.092 1.00 5.23 C ATOM 585 O SER A1145 -8.389 8.921 -1.472 1.00 5.32 O ATOM 586 CB SER A1145 -9.695 6.188 -1.227 1.00 5.40 C ATOM 587 OG SER A1145 -10.171 6.773 -0.023 1.00 5.26 O ATOM 0 H SER A1145 -8.054 6.492 0.621 1.00 3.53 H new ATOM 0 HA SER A1145 -7.820 5.786 -2.152 1.00 4.69 H new ATOM 0 HB2 SER A1145 -10.292 6.543 -2.067 1.00 5.40 H new ATOM 0 HB3 SER A1145 -9.819 5.106 -1.182 1.00 5.40 H new ATOM 0 HG SER A1145 -11.115 6.541 0.102 1.00 5.26 H new ATOM 593 N THR A1146 -7.571 7.929 -3.310 1.00 5.97 N ATOM 594 CA THR A1146 -7.336 9.177 -4.012 1.00 6.81 C ATOM 595 C THR A1146 -8.624 9.714 -4.622 1.00 7.34 C ATOM 596 O THR A1146 -8.765 9.810 -5.842 1.00 8.15 O ATOM 597 CB THR A1146 -6.262 8.998 -5.097 1.00 7.69 C ATOM 598 OG1 THR A1146 -6.396 7.704 -5.702 1.00 7.92 O ATOM 599 CG2 THR A1146 -4.867 9.150 -4.509 1.00 7.74 C ATOM 0 H THR A1146 -7.315 7.095 -3.838 1.00 5.97 H new ATOM 0 HA THR A1146 -6.975 9.905 -3.285 1.00 6.81 H new ATOM 0 HB THR A1146 -6.403 9.771 -5.853 1.00 7.69 H new ATOM 0 HG1 THR A1146 -5.711 7.594 -6.394 1.00 7.92 H new ATOM 0 HG21 THR A1146 -4.124 9.019 -5.296 1.00 7.74 H new ATOM 0 HG22 THR A1146 -4.762 10.143 -4.073 1.00 7.74 H new ATOM 0 HG23 THR A1146 -4.714 8.396 -3.736 1.00 7.74 H new ATOM 607 N GLU A1147 -9.561 10.055 -3.750 1.00 7.13 N ATOM 608 CA GLU A1147 -10.831 10.598 -4.151 1.00 7.94 C ATOM 609 C GLU A1147 -10.656 12.048 -4.579 1.00 8.95 C ATOM 610 O GLU A1147 -11.237 12.495 -5.564 1.00 9.87 O ATOM 611 CB GLU A1147 -11.805 10.482 -2.982 1.00 7.79 C ATOM 612 CG GLU A1147 -13.119 11.178 -3.220 1.00 7.90 C ATOM 613 CD GLU A1147 -13.890 10.580 -4.374 1.00 8.00 C ATOM 614 OE1 GLU A1147 -14.316 9.413 -4.261 1.00 8.23 O ATOM 615 OE2 GLU A1147 -14.084 11.281 -5.392 1.00 8.08 O ATOM 0 H GLU A1147 -9.452 9.959 -2.740 1.00 7.13 H new ATOM 0 HA GLU A1147 -11.231 10.043 -5.000 1.00 7.94 H new ATOM 0 HB2 GLU A1147 -11.993 9.428 -2.780 1.00 7.79 H new ATOM 0 HB3 GLU A1147 -11.339 10.899 -2.089 1.00 7.79 H new ATOM 0 HG2 GLU A1147 -13.725 11.123 -2.315 1.00 7.90 H new ATOM 0 HG3 GLU A1147 -12.936 12.234 -3.418 1.00 7.90 H new ATOM 622 N THR A1148 -9.815 12.767 -3.855 1.00 8.94 N ATOM 623 CA THR A1148 -9.549 14.162 -4.163 1.00 10.03 C ATOM 624 C THR A1148 -8.354 14.254 -5.109 1.00 10.71 C ATOM 625 O THR A1148 -7.383 14.964 -4.857 1.00 11.12 O ATOM 626 CB THR A1148 -9.277 14.970 -2.880 1.00 10.21 C ATOM 627 OG1 THR A1148 -10.221 14.593 -1.868 1.00 9.58 O ATOM 628 CG2 THR A1148 -9.393 16.465 -3.143 1.00 11.01 C ATOM 0 H THR A1148 -9.304 12.407 -3.049 1.00 8.94 H new ATOM 0 HA THR A1148 -10.429 14.587 -4.645 1.00 10.03 H new ATOM 0 HB THR A1148 -8.262 14.753 -2.546 1.00 10.21 H new ATOM 0 HG1 THR A1148 -10.047 15.106 -1.051 1.00 9.58 H new ATOM 0 HG21 THR A1148 -9.196 17.013 -2.221 1.00 11.01 H new ATOM 0 HG22 THR A1148 -8.667 16.758 -3.901 1.00 11.01 H new ATOM 0 HG23 THR A1148 -10.399 16.696 -3.495 1.00 11.01 H new TER 636 THR A1148 HETATM 637 CA CA A1201 -1.507 -2.690 -5.644 1.00 0.28 CA