USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 372 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: A 138 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 142 LYS NZ :NH3+ 160:sc= 0.0528 (180deg=-0.0189) USER MOD Single : A 126 ASN : amide:sc= -0.208 K(o=-0.21,f=-1.6) USER MOD Single : A 132 MET CE :methyl -111:sc= -0.267 (180deg=-1.78!) USER MOD Single : A 134 SER OG : rot 180:sc= 0.00345 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= -0.0483 X(o=-0.048,f=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 160 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0616) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 126 -1.707 7.811 -16.104 1.00 0.00 N ATOM 2 CA ASN A 126 -1.705 7.349 -14.691 1.00 0.00 C ATOM 3 C ASN A 126 -2.619 6.143 -14.504 1.00 0.00 C ATOM 4 O ASN A 126 -3.593 5.970 -15.236 1.00 0.00 O ATOM 5 CB ASN A 126 -2.166 8.504 -13.801 1.00 0.00 C ATOM 6 CG ASN A 126 -3.572 8.966 -14.136 1.00 0.00 C ATOM 7 OD1 ASN A 126 -4.543 8.241 -13.921 1.00 0.00 O ATOM 8 ND2 ASN A 126 -3.685 10.178 -14.666 1.00 0.00 N ATOM 0 HA ASN A 126 -0.696 7.041 -14.416 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -2.128 8.193 -12.757 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -1.476 9.341 -13.909 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -4.605 10.543 -14.913 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -2.852 10.744 -14.827 1.00 0.00 H new ATOM 17 N ARG A 127 -2.299 5.312 -13.518 1.00 0.00 N ATOM 18 CA ARG A 127 -3.092 4.121 -13.233 1.00 0.00 C ATOM 19 C ARG A 127 -3.962 4.332 -11.998 1.00 0.00 C ATOM 20 O ARG A 127 -3.804 5.316 -11.275 1.00 0.00 O ATOM 21 CB ARG A 127 -2.177 2.911 -13.032 1.00 0.00 C ATOM 22 CG ARG A 127 -2.574 1.702 -13.867 1.00 0.00 C ATOM 23 CD ARG A 127 -3.212 0.614 -13.016 1.00 0.00 C ATOM 24 NE ARG A 127 -4.551 0.266 -13.487 1.00 0.00 N ATOM 25 CZ ARG A 127 -4.788 -0.453 -14.582 1.00 0.00 C ATOM 26 NH1 ARG A 127 -3.780 -0.902 -15.321 1.00 0.00 N ATOM 27 NH2 ARG A 127 -6.035 -0.725 -14.939 1.00 0.00 N ATOM 0 H ARG A 127 -1.496 5.441 -12.902 1.00 0.00 H new ATOM 0 HA ARG A 127 -3.745 3.934 -14.085 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -1.154 3.194 -13.281 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -2.183 2.632 -11.978 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -3.272 2.011 -14.645 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -1.693 1.302 -14.369 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -2.580 -0.274 -13.030 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -3.268 0.949 -11.980 1.00 0.00 H new ATOM 0 HE ARG A 127 -5.351 0.593 -12.945 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -2.818 -0.696 -15.051 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -3.968 -1.452 -16.159 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -6.813 -0.383 -14.375 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -6.217 -1.276 -15.778 1.00 0.00 H new ATOM 41 N ARG A 128 -4.882 3.403 -11.763 1.00 0.00 N ATOM 42 CA ARG A 128 -5.777 3.488 -10.614 1.00 0.00 C ATOM 43 C ARG A 128 -5.089 2.986 -9.349 1.00 0.00 C ATOM 44 O ARG A 128 -4.762 1.805 -9.234 1.00 0.00 O ATOM 45 CB ARG A 128 -7.053 2.682 -10.874 1.00 0.00 C ATOM 46 CG ARG A 128 -8.325 3.508 -10.774 1.00 0.00 C ATOM 47 CD ARG A 128 -9.347 2.855 -9.856 1.00 0.00 C ATOM 48 NE ARG A 128 -9.607 1.465 -10.228 1.00 0.00 N ATOM 49 CZ ARG A 128 -10.677 0.781 -9.832 1.00 0.00 C ATOM 50 NH1 ARG A 128 -11.591 1.353 -9.056 1.00 0.00 N ATOM 51 NH2 ARG A 128 -10.837 -0.479 -10.215 1.00 0.00 N ATOM 0 H ARG A 128 -5.028 2.583 -12.352 1.00 0.00 H new ATOM 0 HA ARG A 128 -6.042 4.535 -10.468 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -6.996 2.237 -11.867 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -7.106 1.861 -10.159 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -8.084 4.504 -10.401 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -8.756 3.635 -11.767 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -8.988 2.894 -8.828 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -10.279 3.420 -9.890 1.00 0.00 H new ATOM 0 HE ARG A 128 -8.929 0.993 -10.826 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -11.475 2.322 -8.760 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -12.409 0.823 -8.756 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -10.140 -0.923 -10.813 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -11.657 -1.004 -9.912 1.00 0.00 H new ATOM 65 N VAL A 129 -4.872 3.891 -8.400 1.00 0.00 N ATOM 66 CA VAL A 129 -4.223 3.541 -7.143 1.00 0.00 C ATOM 67 C VAL A 129 -5.109 3.895 -5.951 1.00 0.00 C ATOM 68 O VAL A 129 -5.692 4.977 -5.895 1.00 0.00 O ATOM 69 CB VAL A 129 -2.859 4.253 -6.994 1.00 0.00 C ATOM 70 CG1 VAL A 129 -2.363 4.193 -5.554 1.00 0.00 C ATOM 71 CG2 VAL A 129 -1.833 3.644 -7.940 1.00 0.00 C ATOM 0 H VAL A 129 -5.137 4.873 -8.478 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.058 2.464 -7.160 1.00 0.00 H new ATOM 0 HB VAL A 129 -2.995 5.302 -7.259 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -1.402 4.702 -5.479 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -3.085 4.682 -4.900 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -2.247 3.152 -5.252 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -0.879 4.158 -7.821 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -1.707 2.586 -7.708 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -2.178 3.751 -8.969 1.00 0.00 H new ATOM 81 N ILE A 130 -5.190 2.976 -4.996 1.00 0.00 N ATOM 82 CA ILE A 130 -5.988 3.186 -3.796 1.00 0.00 C ATOM 83 C ILE A 130 -5.165 2.887 -2.551 1.00 0.00 C ATOM 84 O ILE A 130 -4.764 1.748 -2.318 1.00 0.00 O ATOM 85 CB ILE A 130 -7.257 2.312 -3.794 1.00 0.00 C ATOM 86 CG1 ILE A 130 -8.038 2.519 -5.091 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.129 2.638 -2.590 1.00 0.00 C ATOM 88 CD1 ILE A 130 -8.391 1.230 -5.799 1.00 0.00 C ATOM 0 H ILE A 130 -4.711 2.076 -5.031 1.00 0.00 H new ATOM 0 HA ILE A 130 -6.294 4.232 -3.791 1.00 0.00 H new ATOM 0 HB ILE A 130 -6.960 1.265 -3.727 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -8.955 3.065 -4.870 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -7.450 3.144 -5.763 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.020 2.011 -2.606 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.569 2.450 -1.674 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.423 3.687 -2.627 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.944 1.455 -6.711 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -7.477 0.692 -6.052 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -9.006 0.612 -5.145 1.00 0.00 H new ATOM 100 N ALA A 131 -4.908 3.922 -1.764 1.00 0.00 N ATOM 101 CA ALA A 131 -4.122 3.780 -0.544 1.00 0.00 C ATOM 102 C ALA A 131 -4.257 5.010 0.347 1.00 0.00 C ATOM 103 O ALA A 131 -4.454 6.123 -0.140 1.00 0.00 O ATOM 104 CB ALA A 131 -2.660 3.534 -0.886 1.00 0.00 C ATOM 0 H ALA A 131 -5.232 4.871 -1.948 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.507 2.922 0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.084 3.430 0.033 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.573 2.621 -1.474 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.275 4.375 -1.462 1.00 0.00 H new ATOM 110 N MET A 132 -4.146 4.800 1.654 1.00 0.00 N ATOM 111 CA MET A 132 -4.252 5.892 2.615 1.00 0.00 C ATOM 112 C MET A 132 -3.173 6.943 2.359 1.00 0.00 C ATOM 113 O MET A 132 -2.079 6.620 1.897 1.00 0.00 O ATOM 114 CB MET A 132 -4.133 5.354 4.043 1.00 0.00 C ATOM 115 CG MET A 132 -5.458 5.305 4.788 1.00 0.00 C ATOM 116 SD MET A 132 -5.248 5.189 6.574 1.00 0.00 S ATOM 117 CE MET A 132 -6.102 3.653 6.918 1.00 0.00 C ATOM 0 H MET A 132 -3.983 3.884 2.072 1.00 0.00 H new ATOM 0 HA MET A 132 -5.228 6.362 2.494 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.707 4.351 4.010 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.435 5.979 4.601 1.00 0.00 H new ATOM 0 HG2 MET A 132 -6.036 6.198 4.552 1.00 0.00 H new ATOM 0 HG3 MET A 132 -6.036 4.449 4.438 1.00 0.00 H new ATOM 0 HE1 MET A 132 -7.016 3.862 7.473 1.00 0.00 H new ATOM 0 HE2 MET A 132 -6.352 3.158 5.980 1.00 0.00 H new ATOM 0 HE3 MET A 132 -5.458 3.003 7.510 1.00 0.00 H new ATOM 127 N PRO A 133 -3.470 8.220 2.656 1.00 0.00 N ATOM 128 CA PRO A 133 -2.518 9.318 2.453 1.00 0.00 C ATOM 129 C PRO A 133 -1.157 9.030 3.076 1.00 0.00 C ATOM 130 O PRO A 133 -0.139 9.572 2.645 1.00 0.00 O ATOM 131 CB PRO A 133 -3.189 10.500 3.155 1.00 0.00 C ATOM 132 CG PRO A 133 -4.644 10.190 3.112 1.00 0.00 C ATOM 133 CD PRO A 133 -4.753 8.693 3.211 1.00 0.00 C ATOM 0 HA PRO A 133 -2.314 9.491 1.396 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.836 10.603 4.181 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -2.969 11.439 2.647 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -5.170 10.675 3.934 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -5.093 10.553 2.188 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.889 8.367 4.242 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.602 8.313 2.642 1.00 0.00 H new ATOM 141 N SER A 134 -1.144 8.175 4.095 1.00 0.00 N ATOM 142 CA SER A 134 0.094 7.819 4.777 1.00 0.00 C ATOM 143 C SER A 134 0.737 6.591 4.140 1.00 0.00 C ATOM 144 O SER A 134 1.962 6.482 4.080 1.00 0.00 O ATOM 145 CB SER A 134 -0.172 7.558 6.260 1.00 0.00 C ATOM 146 OG SER A 134 -1.259 6.665 6.434 1.00 0.00 O ATOM 0 H SER A 134 -1.977 7.717 4.465 1.00 0.00 H new ATOM 0 HA SER A 134 0.784 8.657 4.680 1.00 0.00 H new ATOM 0 HB2 SER A 134 0.722 7.143 6.725 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.386 8.500 6.765 1.00 0.00 H new ATOM 0 HG SER A 134 -1.408 6.513 7.391 1.00 0.00 H new ATOM 152 N VAL A 135 -0.095 5.668 3.668 1.00 0.00 N ATOM 153 CA VAL A 135 0.400 4.449 3.040 1.00 0.00 C ATOM 154 C VAL A 135 1.142 4.754 1.752 1.00 0.00 C ATOM 155 O VAL A 135 2.217 4.214 1.502 1.00 0.00 O ATOM 156 CB VAL A 135 -0.736 3.463 2.733 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.185 2.182 2.126 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.526 3.170 3.993 1.00 0.00 C ATOM 0 H VAL A 135 -1.112 5.741 3.708 1.00 0.00 H new ATOM 0 HA VAL A 135 1.084 3.992 3.755 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.407 3.917 2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.006 1.497 1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.340 2.415 1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.507 1.715 2.827 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.329 2.470 3.764 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.866 2.733 4.743 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.951 4.096 4.379 1.00 0.00 H new ATOM 168 N ARG A 136 0.565 5.623 0.936 1.00 0.00 N ATOM 169 CA ARG A 136 1.188 5.993 -0.325 1.00 0.00 C ATOM 170 C ARG A 136 2.606 6.492 -0.074 1.00 0.00 C ATOM 171 O ARG A 136 3.492 6.328 -0.909 1.00 0.00 O ATOM 172 CB ARG A 136 0.370 7.079 -1.030 1.00 0.00 C ATOM 173 CG ARG A 136 -1.080 6.693 -1.272 1.00 0.00 C ATOM 174 CD ARG A 136 -1.907 7.889 -1.714 1.00 0.00 C ATOM 175 NE ARG A 136 -2.016 7.974 -3.168 1.00 0.00 N ATOM 176 CZ ARG A 136 -2.878 7.264 -3.891 1.00 0.00 C ATOM 177 NH1 ARG A 136 -3.709 6.412 -3.301 1.00 0.00 N ATOM 178 NH2 ARG A 136 -2.909 7.403 -5.210 1.00 0.00 N ATOM 0 H ARG A 136 -0.327 6.082 1.122 1.00 0.00 H new ATOM 0 HA ARG A 136 1.224 5.113 -0.968 1.00 0.00 H new ATOM 0 HB2 ARG A 136 0.399 7.989 -0.431 1.00 0.00 H new ATOM 0 HB3 ARG A 136 0.839 7.311 -1.986 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -1.128 5.914 -2.033 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.503 6.273 -0.359 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.904 7.820 -1.279 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.455 8.804 -1.331 1.00 0.00 H new ATOM 0 HE ARG A 136 -1.394 8.616 -3.659 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -3.689 6.299 -2.287 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -4.367 5.871 -3.861 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -2.272 8.054 -5.669 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -3.570 6.859 -5.765 1.00 0.00 H new ATOM 192 N LYS A 137 2.809 7.083 1.100 1.00 0.00 N ATOM 193 CA LYS A 137 4.113 7.589 1.491 1.00 0.00 C ATOM 194 C LYS A 137 5.010 6.445 1.936 1.00 0.00 C ATOM 195 O LYS A 137 6.198 6.408 1.616 1.00 0.00 O ATOM 196 CB LYS A 137 3.969 8.616 2.618 1.00 0.00 C ATOM 197 CG LYS A 137 5.297 9.166 3.116 1.00 0.00 C ATOM 198 CD LYS A 137 5.364 9.178 4.635 1.00 0.00 C ATOM 199 CE LYS A 137 6.723 8.718 5.138 1.00 0.00 C ATOM 200 NZ LYS A 137 6.659 8.228 6.543 1.00 0.00 N ATOM 0 H LYS A 137 2.079 7.222 1.799 1.00 0.00 H new ATOM 0 HA LYS A 137 4.569 8.077 0.630 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.352 9.443 2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.441 8.155 3.453 1.00 0.00 H new ATOM 0 HG2 LYS A 137 6.113 8.562 2.720 1.00 0.00 H new ATOM 0 HG3 LYS A 137 5.437 10.178 2.737 1.00 0.00 H new ATOM 0 HD2 LYS A 137 5.161 10.185 5.001 1.00 0.00 H new ATOM 0 HD3 LYS A 137 4.587 8.529 5.039 1.00 0.00 H new ATOM 0 HE2 LYS A 137 7.099 7.923 4.493 1.00 0.00 H new ATOM 0 HE3 LYS A 137 7.432 9.543 5.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 7.606 7.924 6.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 6.325 8.993 7.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 6.002 7.424 6.601 1.00 0.00 H new ATOM 214 N TYR A 138 4.427 5.515 2.687 1.00 0.00 N ATOM 215 CA TYR A 138 5.169 4.372 3.190 1.00 0.00 C ATOM 216 C TYR A 138 5.636 3.481 2.047 1.00 0.00 C ATOM 217 O TYR A 138 6.807 3.111 1.975 1.00 0.00 O ATOM 218 CB TYR A 138 4.290 3.568 4.140 1.00 0.00 C ATOM 219 CG TYR A 138 4.960 2.310 4.635 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.131 2.369 5.376 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.428 1.063 4.342 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.755 1.217 5.815 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.044 -0.090 4.775 1.00 0.00 C ATOM 224 CZ TYR A 138 6.208 -0.011 5.512 1.00 0.00 C ATOM 225 OH TYR A 138 6.825 -1.162 5.944 1.00 0.00 O ATOM 0 H TYR A 138 3.444 5.534 2.958 1.00 0.00 H new ATOM 0 HA TYR A 138 6.047 4.738 3.722 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.021 4.191 4.993 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.362 3.304 3.633 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.562 3.330 5.614 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.517 0.995 3.766 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.666 1.279 6.392 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.617 -1.054 4.538 1.00 0.00 H new ATOM 0 HH TYR A 138 6.310 -1.941 5.646 1.00 0.00 H new ATOM 235 N ALA A 139 4.723 3.165 1.137 1.00 0.00 N ATOM 236 CA ALA A 139 5.059 2.352 -0.016 1.00 0.00 C ATOM 237 C ALA A 139 6.028 3.123 -0.889 1.00 0.00 C ATOM 238 O ALA A 139 7.049 2.603 -1.323 1.00 0.00 O ATOM 239 CB ALA A 139 3.810 1.985 -0.802 1.00 0.00 C ATOM 0 H ALA A 139 3.748 3.460 1.178 1.00 0.00 H new ATOM 0 HA ALA A 139 5.522 1.424 0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.087 1.375 -1.662 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.130 1.422 -0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.316 2.894 -1.146 1.00 0.00 H new ATOM 245 N ARG A 140 5.706 4.387 -1.116 1.00 0.00 N ATOM 246 CA ARG A 140 6.553 5.255 -1.917 1.00 0.00 C ATOM 247 C ARG A 140 7.976 5.269 -1.361 1.00 0.00 C ATOM 248 O ARG A 140 8.944 5.411 -2.108 1.00 0.00 O ATOM 249 CB ARG A 140 5.975 6.673 -1.930 1.00 0.00 C ATOM 250 CG ARG A 140 6.842 7.685 -2.663 1.00 0.00 C ATOM 251 CD ARG A 140 6.267 8.019 -4.030 1.00 0.00 C ATOM 252 NE ARG A 140 5.731 9.377 -4.082 1.00 0.00 N ATOM 253 CZ ARG A 140 6.480 10.466 -4.239 1.00 0.00 C ATOM 254 NH1 ARG A 140 7.797 10.361 -4.363 1.00 0.00 N ATOM 255 NH2 ARG A 140 5.911 11.663 -4.273 1.00 0.00 N ATOM 0 H ARG A 140 4.863 4.834 -0.756 1.00 0.00 H new ATOM 0 HA ARG A 140 6.585 4.874 -2.938 1.00 0.00 H new ATOM 0 HB2 ARG A 140 4.990 6.649 -2.395 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.834 7.007 -0.902 1.00 0.00 H new ATOM 0 HG2 ARG A 140 6.924 8.595 -2.069 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.850 7.287 -2.778 1.00 0.00 H new ATOM 0 HD2 ARG A 140 7.043 7.907 -4.787 1.00 0.00 H new ATOM 0 HD3 ARG A 140 5.478 7.308 -4.275 1.00 0.00 H new ATOM 0 HE ARG A 140 4.722 9.498 -3.993 1.00 0.00 H new ATOM 0 HH11 ARG A 140 8.240 9.443 -4.338 1.00 0.00 H new ATOM 0 HH12 ARG A 140 8.366 11.199 -4.483 1.00 0.00 H new ATOM 0 HH21 ARG A 140 4.899 11.750 -4.179 1.00 0.00 H new ATOM 0 HH22 ARG A 140 6.485 12.497 -4.393 1.00 0.00 H new ATOM 269 N GLU A 141 8.091 5.116 -0.044 1.00 0.00 N ATOM 270 CA GLU A 141 9.386 5.105 0.619 1.00 0.00 C ATOM 271 C GLU A 141 10.012 3.720 0.584 1.00 0.00 C ATOM 272 O GLU A 141 11.224 3.575 0.425 1.00 0.00 O ATOM 273 CB GLU A 141 9.233 5.569 2.067 1.00 0.00 C ATOM 274 CG GLU A 141 9.044 7.069 2.213 1.00 0.00 C ATOM 275 CD GLU A 141 10.309 7.849 1.915 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.095 8.088 2.854 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.515 8.219 0.739 1.00 0.00 O ATOM 0 H GLU A 141 7.297 4.998 0.585 1.00 0.00 H new ATOM 0 HA GLU A 141 10.045 5.789 0.085 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.379 5.059 2.514 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.116 5.267 2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.252 7.399 1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.714 7.293 3.228 1.00 0.00 H new ATOM 284 N LYS A 142 9.176 2.705 0.755 1.00 0.00 N ATOM 285 CA LYS A 142 9.634 1.325 0.766 1.00 0.00 C ATOM 286 C LYS A 142 9.756 0.751 -0.646 1.00 0.00 C ATOM 287 O LYS A 142 9.613 -0.456 -0.841 1.00 0.00 O ATOM 288 CB LYS A 142 8.656 0.484 1.586 1.00 0.00 C ATOM 289 CG LYS A 142 8.623 0.829 3.072 1.00 0.00 C ATOM 290 CD LYS A 142 10.004 1.164 3.616 1.00 0.00 C ATOM 291 CE LYS A 142 9.945 1.559 5.083 1.00 0.00 C ATOM 292 NZ LYS A 142 9.963 0.370 5.980 1.00 0.00 N ATOM 0 H LYS A 142 8.171 2.814 0.889 1.00 0.00 H new ATOM 0 HA LYS A 142 10.627 1.298 1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.655 0.608 1.174 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.918 -0.568 1.475 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.956 1.676 3.232 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.209 -0.012 3.629 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.662 0.303 3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.437 1.979 3.036 1.00 0.00 H new ATOM 0 HE2 LYS A 142 10.791 2.205 5.319 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.040 2.139 5.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 10.259 0.659 6.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 9.011 -0.046 6.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 10.632 -0.335 5.609 1.00 0.00 H new ATOM 306 N GLY A 143 10.014 1.609 -1.633 1.00 0.00 N ATOM 307 CA GLY A 143 10.140 1.137 -3.006 1.00 0.00 C ATOM 308 C GLY A 143 8.929 0.333 -3.451 1.00 0.00 C ATOM 309 O GLY A 143 9.003 -0.457 -4.391 1.00 0.00 O ATOM 0 H GLY A 143 10.137 2.614 -1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.271 1.991 -3.671 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.035 0.522 -3.096 1.00 0.00 H new ATOM 313 N VAL A 144 7.816 0.542 -2.759 1.00 0.00 N ATOM 314 CA VAL A 144 6.565 -0.144 -3.045 1.00 0.00 C ATOM 315 C VAL A 144 5.567 0.796 -3.704 1.00 0.00 C ATOM 316 O VAL A 144 5.394 1.937 -3.276 1.00 0.00 O ATOM 317 CB VAL A 144 5.932 -0.680 -1.749 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.652 -1.445 -2.046 1.00 0.00 C ATOM 319 CG2 VAL A 144 6.918 -1.546 -0.984 1.00 0.00 C ATOM 0 H VAL A 144 7.757 1.197 -1.979 1.00 0.00 H new ATOM 0 HA VAL A 144 6.796 -0.969 -3.719 1.00 0.00 H new ATOM 0 HB VAL A 144 5.675 0.173 -1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.224 -1.814 -1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 144 3.938 -0.783 -2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.875 -2.287 -2.701 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.448 -1.913 -0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.217 -2.391 -1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 144 7.797 -0.956 -0.727 1.00 0.00 H new ATOM 329 N ASP A 145 4.887 0.296 -4.722 1.00 0.00 N ATOM 330 CA ASP A 145 3.875 1.069 -5.415 1.00 0.00 C ATOM 331 C ASP A 145 2.529 0.396 -5.214 1.00 0.00 C ATOM 332 O ASP A 145 2.386 -0.795 -5.469 1.00 0.00 O ATOM 333 CB ASP A 145 4.204 1.186 -6.905 1.00 0.00 C ATOM 334 CG ASP A 145 3.375 2.250 -7.598 1.00 0.00 C ATOM 335 OD1 ASP A 145 2.170 2.360 -7.288 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.931 2.973 -8.451 1.00 0.00 O ATOM 0 H ASP A 145 5.020 -0.647 -5.087 1.00 0.00 H new ATOM 0 HA ASP A 145 3.845 2.079 -5.007 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.262 1.419 -7.023 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.034 0.224 -7.389 1.00 0.00 H new ATOM 341 N ILE A 146 1.553 1.148 -4.731 1.00 0.00 N ATOM 342 CA ILE A 146 0.225 0.601 -4.473 1.00 0.00 C ATOM 343 C ILE A 146 -0.277 -0.243 -5.648 1.00 0.00 C ATOM 344 O ILE A 146 -1.097 -1.143 -5.467 1.00 0.00 O ATOM 345 CB ILE A 146 -0.799 1.713 -4.176 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.268 2.669 -3.102 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.126 1.110 -3.737 1.00 0.00 C ATOM 348 CD1 ILE A 146 -0.068 2.011 -1.752 1.00 0.00 C ATOM 0 H ILE A 146 1.652 2.139 -4.509 1.00 0.00 H new ATOM 0 HA ILE A 146 0.321 -0.037 -3.594 1.00 0.00 H new ATOM 0 HB ILE A 146 -0.959 2.282 -5.092 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.681 3.088 -3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -0.963 3.501 -2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.838 1.909 -3.531 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.516 0.472 -4.530 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -1.975 0.517 -2.835 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.309 2.746 -1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -1.019 1.616 -1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.650 1.197 -1.847 1.00 0.00 H new ATOM 360 N ARG A 147 0.226 0.042 -6.848 1.00 0.00 N ATOM 361 CA ARG A 147 -0.179 -0.704 -8.037 1.00 0.00 C ATOM 362 C ARG A 147 0.221 -2.168 -7.909 1.00 0.00 C ATOM 363 O ARG A 147 -0.505 -3.067 -8.332 1.00 0.00 O ATOM 364 CB ARG A 147 0.458 -0.096 -9.288 1.00 0.00 C ATOM 365 CG ARG A 147 -0.412 0.953 -9.964 1.00 0.00 C ATOM 366 CD ARG A 147 0.390 2.191 -10.333 1.00 0.00 C ATOM 367 NE ARG A 147 1.260 1.958 -11.482 1.00 0.00 N ATOM 368 CZ ARG A 147 1.789 2.931 -12.221 1.00 0.00 C ATOM 369 NH1 ARG A 147 1.540 4.203 -11.933 1.00 0.00 N ATOM 370 NH2 ARG A 147 2.570 2.631 -13.249 1.00 0.00 N ATOM 0 H ARG A 147 0.910 0.779 -7.022 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.264 -0.644 -8.128 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.413 0.355 -9.017 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.672 -0.893 -10.000 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -0.863 0.530 -10.862 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -1.229 1.233 -9.299 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -0.292 3.012 -10.556 1.00 0.00 H new ATOM 0 HD3 ARG A 147 0.993 2.500 -9.479 1.00 0.00 H new ATOM 0 HE ARG A 147 1.475 0.993 -11.733 1.00 0.00 H new ATOM 0 HH11 ARG A 147 0.941 4.439 -11.142 1.00 0.00 H new ATOM 0 HH12 ARG A 147 1.948 4.944 -12.503 1.00 0.00 H new ATOM 0 HH21 ARG A 147 2.765 1.655 -13.473 1.00 0.00 H new ATOM 0 HH22 ARG A 147 2.976 3.376 -13.816 1.00 0.00 H new ATOM 384 N LEU A 148 1.382 -2.389 -7.310 1.00 0.00 N ATOM 385 CA LEU A 148 1.907 -3.726 -7.097 1.00 0.00 C ATOM 386 C LEU A 148 1.376 -4.318 -5.792 1.00 0.00 C ATOM 387 O LEU A 148 1.629 -5.481 -5.481 1.00 0.00 O ATOM 388 CB LEU A 148 3.437 -3.685 -7.061 1.00 0.00 C ATOM 389 CG LEU A 148 4.072 -2.493 -7.782 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.580 -2.504 -7.625 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.688 -2.493 -9.253 1.00 0.00 C ATOM 0 H LEU A 148 1.985 -1.645 -6.959 1.00 0.00 H new ATOM 0 HA LEU A 148 1.579 -4.358 -7.922 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.760 -3.674 -6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.820 -4.604 -7.504 1.00 0.00 H new ATOM 0 HG LEU A 148 3.692 -1.579 -7.325 1.00 0.00 H new ATOM 0 HD11 LEU A 148 6.006 -1.647 -8.146 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.836 -2.449 -6.567 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.983 -3.424 -8.049 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.148 -1.639 -9.749 1.00 0.00 H new ATOM 0 HD22 LEU A 148 4.036 -3.415 -9.720 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.604 -2.426 -9.346 1.00 0.00 H new ATOM 403 N VAL A 149 0.647 -3.507 -5.025 1.00 0.00 N ATOM 404 CA VAL A 149 0.099 -3.954 -3.750 1.00 0.00 C ATOM 405 C VAL A 149 -1.425 -3.983 -3.782 1.00 0.00 C ATOM 406 O VAL A 149 -2.071 -2.977 -4.075 1.00 0.00 O ATOM 407 CB VAL A 149 0.555 -3.043 -2.592 1.00 0.00 C ATOM 408 CG1 VAL A 149 0.411 -3.758 -1.260 1.00 0.00 C ATOM 409 CG2 VAL A 149 1.991 -2.577 -2.797 1.00 0.00 C ATOM 0 H VAL A 149 0.424 -2.541 -5.266 1.00 0.00 H new ATOM 0 HA VAL A 149 0.476 -4.963 -3.584 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.088 -2.163 -2.582 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.738 -3.099 -0.456 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.633 -4.030 -1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 149 1.025 -4.659 -1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 149 2.288 -1.936 -1.967 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.652 -3.443 -2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 149 2.062 -2.018 -3.730 1.00 0.00 H new ATOM 419 N GLN A 150 -1.992 -5.143 -3.470 1.00 0.00 N ATOM 420 CA GLN A 150 -3.441 -5.306 -3.454 1.00 0.00 C ATOM 421 C GLN A 150 -4.009 -4.895 -2.099 1.00 0.00 C ATOM 422 O GLN A 150 -3.894 -5.632 -1.120 1.00 0.00 O ATOM 423 CB GLN A 150 -3.811 -6.759 -3.763 1.00 0.00 C ATOM 424 CG GLN A 150 -4.874 -6.897 -4.841 1.00 0.00 C ATOM 425 CD GLN A 150 -4.935 -8.297 -5.423 1.00 0.00 C ATOM 426 OE1 GLN A 150 -5.944 -8.990 -5.301 1.00 0.00 O ATOM 427 NE2 GLN A 150 -3.848 -8.719 -6.060 1.00 0.00 N ATOM 0 H GLN A 150 -1.470 -5.984 -3.225 1.00 0.00 H new ATOM 0 HA GLN A 150 -3.872 -4.662 -4.220 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -2.915 -7.295 -4.076 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.166 -7.237 -2.850 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -5.847 -6.639 -4.422 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -4.671 -6.184 -5.640 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -3.033 -8.110 -6.137 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -3.828 -9.652 -6.472 1.00 0.00 H new ATOM 436 N GLY A 151 -4.613 -3.713 -2.049 1.00 0.00 N ATOM 437 CA GLY A 151 -5.176 -3.226 -0.806 1.00 0.00 C ATOM 438 C GLY A 151 -6.548 -3.803 -0.515 1.00 0.00 C ATOM 439 O GLY A 151 -7.370 -3.956 -1.417 1.00 0.00 O ATOM 0 H GLY A 151 -4.722 -3.085 -2.846 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.502 -3.473 0.014 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.245 -2.139 -0.845 1.00 0.00 H new ATOM 443 N THR A 152 -6.790 -4.121 0.753 1.00 0.00 N ATOM 444 CA THR A 152 -8.070 -4.682 1.174 1.00 0.00 C ATOM 445 C THR A 152 -8.766 -3.762 2.175 1.00 0.00 C ATOM 446 O THR A 152 -9.560 -4.216 2.999 1.00 0.00 O ATOM 447 CB THR A 152 -7.865 -6.067 1.791 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.536 -6.218 2.253 1.00 0.00 O ATOM 449 CG2 THR A 152 -8.148 -7.201 0.829 1.00 0.00 C ATOM 0 H THR A 152 -6.115 -4.000 1.508 1.00 0.00 H new ATOM 0 HA THR A 152 -8.705 -4.775 0.293 1.00 0.00 H new ATOM 0 HB THR A 152 -8.578 -6.124 2.613 1.00 0.00 H new ATOM 0 HG1 THR A 152 -6.425 -7.109 2.646 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.983 -8.154 1.331 1.00 0.00 H new ATOM 0 HG22 THR A 152 -9.183 -7.143 0.492 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.482 -7.124 -0.030 1.00 0.00 H new ATOM 457 N GLY A 153 -8.456 -2.470 2.107 1.00 0.00 N ATOM 458 CA GLY A 153 -9.053 -1.516 3.025 1.00 0.00 C ATOM 459 C GLY A 153 -10.315 -0.873 2.478 1.00 0.00 C ATOM 460 O GLY A 153 -10.287 -0.210 1.443 1.00 0.00 O ATOM 0 H GLY A 153 -7.804 -2.068 1.434 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.286 -2.020 3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.326 -0.737 3.254 1.00 0.00 H new ATOM 464 N LYS A 154 -11.423 -1.063 3.187 1.00 0.00 N ATOM 465 CA LYS A 154 -12.705 -0.493 2.783 1.00 0.00 C ATOM 466 C LYS A 154 -13.105 -0.953 1.380 1.00 0.00 C ATOM 467 O LYS A 154 -13.836 -1.932 1.227 1.00 0.00 O ATOM 468 CB LYS A 154 -12.649 1.036 2.845 1.00 0.00 C ATOM 469 CG LYS A 154 -13.138 1.610 4.165 1.00 0.00 C ATOM 470 CD LYS A 154 -14.637 1.869 4.140 1.00 0.00 C ATOM 471 CE LYS A 154 -14.946 3.321 3.817 1.00 0.00 C ATOM 472 NZ LYS A 154 -16.319 3.488 3.265 1.00 0.00 N ATOM 0 H LYS A 154 -11.459 -1.609 4.048 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.463 -0.850 3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -11.622 1.361 2.675 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -13.251 1.446 2.035 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -12.901 0.919 4.974 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -12.611 2.540 4.376 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -15.107 1.222 3.399 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -15.068 1.611 5.107 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -14.842 3.924 4.719 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -14.218 3.696 3.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -16.490 4.493 3.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -16.411 2.934 2.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -17.016 3.154 3.961 1.00 0.00 H new ATOM 486 N ASN A 155 -12.631 -0.241 0.360 1.00 0.00 N ATOM 487 CA ASN A 155 -12.954 -0.580 -1.022 1.00 0.00 C ATOM 488 C ASN A 155 -11.729 -1.113 -1.758 1.00 0.00 C ATOM 489 O ASN A 155 -11.538 -0.839 -2.943 1.00 0.00 O ATOM 490 CB ASN A 155 -13.507 0.645 -1.752 1.00 0.00 C ATOM 491 CG ASN A 155 -15.005 0.797 -1.572 1.00 0.00 C ATOM 492 OD1 ASN A 155 -15.787 -0.008 -2.079 1.00 0.00 O ATOM 493 ND2 ASN A 155 -15.413 1.834 -0.849 1.00 0.00 N ATOM 0 H ASN A 155 -12.024 0.572 0.465 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.713 -1.363 -1.007 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -13.007 1.541 -1.384 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -13.278 0.566 -2.815 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -16.410 1.988 -0.695 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -14.730 2.476 -0.447 1.00 0.00 H new ATOM 500 N GLY A 156 -10.904 -1.877 -1.052 1.00 0.00 N ATOM 501 CA GLY A 156 -9.712 -2.438 -1.660 1.00 0.00 C ATOM 502 C GLY A 156 -8.524 -1.498 -1.591 1.00 0.00 C ATOM 503 O GLY A 156 -7.618 -1.568 -2.422 1.00 0.00 O ATOM 0 H GLY A 156 -11.039 -2.118 -0.070 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.460 -3.373 -1.161 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -9.920 -2.679 -2.703 1.00 0.00 H new ATOM 507 N ARG A 157 -8.527 -0.615 -0.597 1.00 0.00 N ATOM 508 CA ARG A 157 -7.443 0.344 -0.420 1.00 0.00 C ATOM 509 C ARG A 157 -6.252 -0.308 0.274 1.00 0.00 C ATOM 510 O ARG A 157 -6.419 -1.141 1.165 1.00 0.00 O ATOM 511 CB ARG A 157 -7.932 1.547 0.390 1.00 0.00 C ATOM 512 CG ARG A 157 -6.862 2.599 0.627 1.00 0.00 C ATOM 513 CD ARG A 157 -7.450 3.873 1.210 1.00 0.00 C ATOM 514 NE ARG A 157 -8.326 4.558 0.261 1.00 0.00 N ATOM 515 CZ ARG A 157 -8.665 5.842 0.359 1.00 0.00 C ATOM 516 NH1 ARG A 157 -8.209 6.583 1.362 1.00 0.00 N ATOM 517 NH2 ARG A 157 -9.463 6.387 -0.549 1.00 0.00 N ATOM 0 H ARG A 157 -9.269 -0.544 0.099 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.122 0.685 -1.404 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.772 2.007 -0.130 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.306 1.198 1.353 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -6.106 2.203 1.305 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.360 2.826 -0.313 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -8.011 3.633 2.113 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.642 4.543 1.506 1.00 0.00 H new ATOM 0 HE ARG A 157 -8.699 4.021 -0.522 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -7.595 6.169 2.064 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -8.473 7.566 1.431 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -9.817 5.823 -1.322 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -9.723 7.370 -0.475 1.00 0.00 H new ATOM 531 N VAL A 158 -5.049 0.070 -0.148 1.00 0.00 N ATOM 532 CA VAL A 158 -3.830 -0.486 0.426 1.00 0.00 C ATOM 533 C VAL A 158 -3.522 0.126 1.787 1.00 0.00 C ATOM 534 O VAL A 158 -3.545 1.345 1.956 1.00 0.00 O ATOM 535 CB VAL A 158 -2.614 -0.281 -0.509 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.304 -0.581 0.209 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.739 -1.154 -1.745 1.00 0.00 C ATOM 0 H VAL A 158 -4.893 0.758 -0.885 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.007 -1.555 0.548 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.604 0.766 -0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.470 -0.427 -0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.198 0.085 1.065 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.306 -1.616 0.552 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.875 -0.996 -2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.783 -2.202 -1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.648 -0.891 -2.285 1.00 0.00 H new ATOM 547 N LEU A 159 -3.215 -0.737 2.743 1.00 0.00 N ATOM 548 CA LEU A 159 -2.874 -0.307 4.090 1.00 0.00 C ATOM 549 C LEU A 159 -1.380 -0.480 4.322 1.00 0.00 C ATOM 550 O LEU A 159 -0.715 -1.198 3.578 1.00 0.00 O ATOM 551 CB LEU A 159 -3.659 -1.125 5.119 1.00 0.00 C ATOM 552 CG LEU A 159 -5.171 -0.874 5.152 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.762 -1.353 6.469 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.484 0.602 4.935 1.00 0.00 C ATOM 0 H LEU A 159 -3.195 -1.748 2.609 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.136 0.745 4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.489 -2.183 4.921 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.253 -0.916 6.109 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.625 -1.441 4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.836 -1.167 6.475 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.578 -2.421 6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.296 -0.814 7.294 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.563 0.753 4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -5.014 1.193 5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.099 0.917 3.965 1.00 0.00 H new ATOM 566 N LYS A 160 -0.848 0.163 5.353 1.00 0.00 N ATOM 567 CA LYS A 160 0.573 0.038 5.647 1.00 0.00 C ATOM 568 C LYS A 160 0.934 -1.431 5.827 1.00 0.00 C ATOM 569 O LYS A 160 2.034 -1.861 5.481 1.00 0.00 O ATOM 570 CB LYS A 160 0.947 0.833 6.900 1.00 0.00 C ATOM 571 CG LYS A 160 2.436 0.811 7.208 1.00 0.00 C ATOM 572 CD LYS A 160 2.965 2.204 7.515 1.00 0.00 C ATOM 573 CE LYS A 160 4.357 2.150 8.124 1.00 0.00 C ATOM 574 NZ LYS A 160 4.328 1.682 9.538 1.00 0.00 N ATOM 0 H LYS A 160 -1.368 0.766 5.990 1.00 0.00 H new ATOM 0 HA LYS A 160 1.137 0.447 4.809 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.625 1.867 6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.401 0.430 7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 160 2.623 0.155 8.058 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.978 0.394 6.359 1.00 0.00 H new ATOM 0 HD2 LYS A 160 2.990 2.795 6.599 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.286 2.709 8.202 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.986 1.483 7.534 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.812 3.140 8.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 5.265 1.819 9.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 3.620 2.227 10.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 4.079 0.673 9.565 1.00 0.00 H new ATOM 588 N GLU A 161 -0.019 -2.202 6.344 1.00 0.00 N ATOM 589 CA GLU A 161 0.181 -3.629 6.538 1.00 0.00 C ATOM 590 C GLU A 161 0.351 -4.299 5.178 1.00 0.00 C ATOM 591 O GLU A 161 1.151 -5.220 5.019 1.00 0.00 O ATOM 592 CB GLU A 161 -1.003 -4.231 7.314 1.00 0.00 C ATOM 593 CG GLU A 161 -1.638 -5.453 6.664 1.00 0.00 C ATOM 594 CD GLU A 161 -2.569 -6.197 7.602 1.00 0.00 C ATOM 595 OE1 GLU A 161 -2.075 -6.768 8.598 1.00 0.00 O ATOM 596 OE2 GLU A 161 -3.790 -6.206 7.343 1.00 0.00 O ATOM 0 H GLU A 161 -0.935 -1.860 6.635 1.00 0.00 H new ATOM 0 HA GLU A 161 1.082 -3.800 7.127 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -0.663 -4.504 8.313 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -1.767 -3.463 7.436 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -2.193 -5.142 5.779 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -0.853 -6.129 6.326 1.00 0.00 H new ATOM 603 N ASP A 162 -0.398 -3.805 4.196 1.00 0.00 N ATOM 604 CA ASP A 162 -0.324 -4.329 2.839 1.00 0.00 C ATOM 605 C ASP A 162 1.060 -4.069 2.258 1.00 0.00 C ATOM 606 O ASP A 162 1.707 -4.968 1.721 1.00 0.00 O ATOM 607 CB ASP A 162 -1.390 -3.676 1.960 1.00 0.00 C ATOM 608 CG ASP A 162 -2.722 -4.396 2.028 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.742 -5.629 1.833 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.746 -3.724 2.278 1.00 0.00 O ATOM 0 H ASP A 162 -1.063 -3.041 4.317 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.504 -5.404 2.867 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.525 -2.639 2.269 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -1.043 -3.658 0.927 1.00 0.00 H new ATOM 615 N ILE A 163 1.505 -2.824 2.386 1.00 0.00 N ATOM 616 CA ILE A 163 2.818 -2.413 1.894 1.00 0.00 C ATOM 617 C ILE A 163 3.911 -3.333 2.428 1.00 0.00 C ATOM 618 O ILE A 163 4.724 -3.859 1.668 1.00 0.00 O ATOM 619 CB ILE A 163 3.151 -0.969 2.327 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.014 -0.021 1.956 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.462 -0.505 1.699 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.709 -0.017 0.483 1.00 0.00 C ATOM 0 H ILE A 163 0.972 -2.076 2.830 1.00 0.00 H new ATOM 0 HA ILE A 163 2.780 -2.470 0.806 1.00 0.00 H new ATOM 0 HB ILE A 163 3.269 -0.957 3.411 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.117 -0.305 2.506 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.274 0.990 2.270 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.677 0.515 2.018 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.271 -1.163 2.017 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.376 -0.535 0.613 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.892 0.676 0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.594 0.295 -0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.419 -1.020 0.169 1.00 0.00 H new ATOM 634 N ASP A 164 3.924 -3.518 3.744 1.00 0.00 N ATOM 635 CA ASP A 164 4.916 -4.369 4.386 1.00 0.00 C ATOM 636 C ASP A 164 4.855 -5.790 3.836 1.00 0.00 C ATOM 637 O ASP A 164 5.882 -6.381 3.498 1.00 0.00 O ATOM 638 CB ASP A 164 4.698 -4.387 5.900 1.00 0.00 C ATOM 639 CG ASP A 164 5.898 -4.933 6.650 1.00 0.00 C ATOM 640 OD1 ASP A 164 6.724 -5.628 6.024 1.00 0.00 O ATOM 641 OD2 ASP A 164 6.010 -4.664 7.865 1.00 0.00 O ATOM 0 H ASP A 164 3.258 -3.089 4.386 1.00 0.00 H new ATOM 0 HA ASP A 164 5.903 -3.959 4.171 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.486 -3.375 6.246 1.00 0.00 H new ATOM 0 HB3 ASP A 164 3.822 -4.993 6.131 1.00 0.00 H new ATOM 646 N ALA A 165 3.645 -6.334 3.745 1.00 0.00 N ATOM 647 CA ALA A 165 3.449 -7.687 3.235 1.00 0.00 C ATOM 648 C ALA A 165 3.993 -7.823 1.817 1.00 0.00 C ATOM 649 O ALA A 165 4.517 -8.871 1.439 1.00 0.00 O ATOM 650 CB ALA A 165 1.973 -8.057 3.274 1.00 0.00 C ATOM 0 H ALA A 165 2.785 -5.858 4.018 1.00 0.00 H new ATOM 0 HA ALA A 165 4.002 -8.374 3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.841 -9.069 2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.613 -8.008 4.302 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.407 -7.359 2.658 1.00 0.00 H new ATOM 656 N TRP A 166 3.869 -6.754 1.038 1.00 0.00 N ATOM 657 CA TRP A 166 4.350 -6.743 -0.333 1.00 0.00 C ATOM 658 C TRP A 166 5.857 -6.959 -0.371 1.00 0.00 C ATOM 659 O TRP A 166 6.351 -7.891 -1.007 1.00 0.00 O ATOM 660 CB TRP A 166 3.998 -5.408 -0.980 1.00 0.00 C ATOM 661 CG TRP A 166 4.260 -5.363 -2.451 1.00 0.00 C ATOM 662 CD1 TRP A 166 3.481 -5.876 -3.445 1.00 0.00 C ATOM 663 CD2 TRP A 166 5.383 -4.763 -3.089 1.00 0.00 C ATOM 664 NE1 TRP A 166 4.061 -5.628 -4.666 1.00 0.00 N ATOM 665 CE2 TRP A 166 5.230 -4.947 -4.472 1.00 0.00 C ATOM 666 CE3 TRP A 166 6.504 -4.087 -2.619 1.00 0.00 C ATOM 667 CZ2 TRP A 166 6.160 -4.480 -5.393 1.00 0.00 C ATOM 668 CZ3 TRP A 166 7.430 -3.619 -3.532 1.00 0.00 C ATOM 669 CH2 TRP A 166 7.252 -3.817 -4.907 1.00 0.00 C ATOM 0 H TRP A 166 3.436 -5.880 1.338 1.00 0.00 H new ATOM 0 HA TRP A 166 3.873 -7.553 -0.884 1.00 0.00 H new ATOM 0 HB2 TRP A 166 2.944 -5.195 -0.801 1.00 0.00 H new ATOM 0 HB3 TRP A 166 4.570 -4.617 -0.494 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.548 -6.399 -3.295 1.00 0.00 H new ATOM 0 HE1 TRP A 166 3.681 -5.907 -5.570 1.00 0.00 H new ATOM 0 HE3 TRP A 166 6.648 -3.931 -1.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 6.025 -4.635 -6.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 8.305 -3.092 -3.180 1.00 0.00 H new ATOM 0 HH2 TRP A 166 7.992 -3.438 -5.597 1.00 0.00 H new ATOM 680 N LEU A 167 6.578 -6.089 0.320 1.00 0.00 N ATOM 681 CA LEU A 167 8.035 -6.168 0.383 1.00 0.00 C ATOM 682 C LEU A 167 8.494 -7.535 0.882 1.00 0.00 C ATOM 683 O LEU A 167 9.617 -7.961 0.611 1.00 0.00 O ATOM 684 CB LEU A 167 8.578 -5.072 1.301 1.00 0.00 C ATOM 685 CG LEU A 167 8.315 -3.648 0.816 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.869 -2.756 1.964 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.551 -3.078 0.140 1.00 0.00 C ATOM 0 H LEU A 167 6.177 -5.314 0.849 1.00 0.00 H new ATOM 0 HA LEU A 167 8.425 -6.025 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.136 -5.192 2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.653 -5.211 1.414 1.00 0.00 H new ATOM 0 HG LEU A 167 7.508 -3.682 0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.688 -1.747 1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.951 -3.153 2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.648 -2.727 2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.345 -2.063 -0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.379 -3.063 0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 167 9.817 -3.699 -0.715 1.00 0.00 H new ATOM 699 N ALA A 168 7.621 -8.213 1.616 1.00 0.00 N ATOM 700 CA ALA A 168 7.935 -9.531 2.159 1.00 0.00 C ATOM 701 C ALA A 168 7.459 -10.648 1.234 1.00 0.00 C ATOM 702 O ALA A 168 7.105 -11.735 1.692 1.00 0.00 O ATOM 703 CB ALA A 168 7.312 -9.691 3.536 1.00 0.00 C ATOM 0 H ALA A 168 6.688 -7.873 1.850 1.00 0.00 H new ATOM 0 HA ALA A 168 9.019 -9.607 2.242 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.552 -10.678 3.932 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.706 -8.926 4.205 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.230 -9.584 3.460 1.00 0.00 H new ATOM 709 N GLY A 169 7.453 -10.380 -0.068 1.00 0.00 N ATOM 710 CA GLY A 169 7.019 -11.379 -1.027 1.00 0.00 C ATOM 711 C GLY A 169 7.157 -10.908 -2.460 1.00 0.00 C ATOM 712 O GLY A 169 7.771 -11.582 -3.287 1.00 0.00 O ATOM 0 H GLY A 169 7.740 -9.490 -0.475 1.00 0.00 H new ATOM 0 HA2 GLY A 169 7.604 -12.288 -0.889 1.00 0.00 H new ATOM 0 HA3 GLY A 169 5.978 -11.637 -0.832 1.00 0.00 H new ATOM 716 N GLY A 170 6.583 -9.746 -2.754 1.00 0.00 N ATOM 717 CA GLY A 170 6.655 -9.203 -4.098 1.00 0.00 C ATOM 718 C GLY A 170 5.623 -9.811 -5.026 1.00 0.00 C ATOM 719 O GLY A 170 5.937 -10.000 -6.220 1.00 0.00 O ATOM 720 OXT GLY A 170 4.501 -10.100 -4.559 1.00 0.00 O ATOM 0 H GLY A 170 6.070 -9.171 -2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 170 6.512 -8.123 -4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 170 7.651 -9.378 -4.504 1.00 0.00 H new TER 724 GLY A 170