USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 323 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 Single : A 132 MET CE :methyl 158:sc= -1.99! (180deg=-2.21!) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,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= -1.19 K(o=-1.2,f=-0.36) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 130 -5.158 3.293 -4.892 1.00 0.00 N ATOM 82 CA ILE A 130 -5.998 3.463 -3.716 1.00 0.00 C ATOM 83 C ILE A 130 -5.224 3.120 -2.451 1.00 0.00 C ATOM 84 O ILE A 130 -4.869 1.964 -2.220 1.00 0.00 O ATOM 85 CB ILE A 130 -7.265 2.589 -3.799 1.00 0.00 C ATOM 86 CG1 ILE A 130 -8.025 2.894 -5.088 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.157 2.823 -2.588 1.00 0.00 C ATOM 88 CD1 ILE A 130 -7.691 1.952 -6.225 1.00 0.00 C ATOM 0 HA ILE A 130 -6.302 4.509 -3.680 1.00 0.00 H new ATOM 0 HB ILE A 130 -6.967 1.541 -3.805 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.096 2.845 -4.889 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -7.805 3.916 -5.397 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.046 2.197 -2.665 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.611 2.568 -1.679 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.453 3.871 -2.551 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.268 2.228 -7.108 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -6.627 2.018 -6.451 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -7.938 0.931 -5.936 1.00 0.00 H new ATOM 100 N ALA A 131 -4.958 4.134 -1.637 1.00 0.00 N ATOM 101 CA ALA A 131 -4.216 3.944 -0.396 1.00 0.00 C ATOM 102 C ALA A 131 -4.291 5.186 0.487 1.00 0.00 C ATOM 103 O ALA A 131 -4.499 6.296 -0.002 1.00 0.00 O ATOM 104 CB ALA A 131 -2.765 3.597 -0.699 1.00 0.00 C ATOM 0 H ALA A 131 -5.245 5.097 -1.814 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.672 3.117 0.148 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.221 3.458 0.235 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.725 2.677 -1.283 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.308 4.407 -1.267 1.00 0.00 H new ATOM 110 N MET A 132 -4.116 4.990 1.789 1.00 0.00 N ATOM 111 CA MET A 132 -4.159 6.092 2.742 1.00 0.00 C ATOM 112 C MET A 132 -3.057 7.108 2.447 1.00 0.00 C ATOM 113 O MET A 132 -1.999 6.755 1.926 1.00 0.00 O ATOM 114 CB MET A 132 -4.016 5.560 4.171 1.00 0.00 C ATOM 115 CG MET A 132 -5.319 5.561 4.953 1.00 0.00 C ATOM 116 SD MET A 132 -5.079 5.187 6.701 1.00 0.00 S ATOM 117 CE MET A 132 -4.910 3.405 6.648 1.00 0.00 C ATOM 0 H MET A 132 -3.943 4.077 2.209 1.00 0.00 H new ATOM 0 HA MET A 132 -5.122 6.592 2.644 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.625 4.543 4.134 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.282 6.165 4.703 1.00 0.00 H new ATOM 0 HG2 MET A 132 -5.796 6.536 4.856 1.00 0.00 H new ATOM 0 HG3 MET A 132 -6.000 4.829 4.519 1.00 0.00 H new ATOM 0 HE1 MET A 132 -4.383 3.063 7.539 1.00 0.00 H new ATOM 0 HE2 MET A 132 -5.898 2.947 6.612 1.00 0.00 H new ATOM 0 HE3 MET A 132 -4.345 3.119 5.761 1.00 0.00 H new ATOM 127 N PRO A 133 -3.293 8.389 2.779 1.00 0.00 N ATOM 128 CA PRO A 133 -2.315 9.457 2.547 1.00 0.00 C ATOM 129 C PRO A 133 -0.941 9.117 3.116 1.00 0.00 C ATOM 130 O PRO A 133 0.079 9.615 2.640 1.00 0.00 O ATOM 131 CB PRO A 133 -2.915 10.656 3.286 1.00 0.00 C ATOM 132 CG PRO A 133 -4.380 10.390 3.311 1.00 0.00 C ATOM 133 CD PRO A 133 -4.529 8.897 3.405 1.00 0.00 C ATOM 0 HA PRO A 133 -2.149 9.633 1.484 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.511 10.742 4.295 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -2.691 11.591 2.772 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -4.852 10.883 4.161 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -4.862 10.774 2.412 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.620 8.567 4.440 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.418 8.548 2.880 1.00 0.00 H new ATOM 141 N SER A 134 -0.923 8.266 4.137 1.00 0.00 N ATOM 142 CA SER A 134 0.325 7.860 4.771 1.00 0.00 C ATOM 143 C SER A 134 0.890 6.602 4.116 1.00 0.00 C ATOM 144 O SER A 134 2.100 6.380 4.123 1.00 0.00 O ATOM 145 CB SER A 134 0.106 7.616 6.266 1.00 0.00 C ATOM 146 OG SER A 134 0.379 8.785 7.019 1.00 0.00 O ATOM 0 H SER A 134 -1.759 7.845 4.542 1.00 0.00 H new ATOM 0 HA SER A 134 1.046 8.667 4.642 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.923 7.300 6.439 1.00 0.00 H new ATOM 0 HB3 SER A 134 0.750 6.804 6.603 1.00 0.00 H new ATOM 0 HG SER A 134 0.230 8.603 7.970 1.00 0.00 H new ATOM 152 N VAL A 135 0.007 5.779 3.557 1.00 0.00 N ATOM 153 CA VAL A 135 0.425 4.544 2.904 1.00 0.00 C ATOM 154 C VAL A 135 1.195 4.828 1.628 1.00 0.00 C ATOM 155 O VAL A 135 2.273 4.282 1.410 1.00 0.00 O ATOM 156 CB VAL A 135 -0.774 3.645 2.568 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.317 2.382 1.848 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.539 3.303 3.831 1.00 0.00 C ATOM 0 H VAL A 135 -0.999 5.945 3.543 1.00 0.00 H new ATOM 0 HA VAL A 135 1.072 4.025 3.611 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.440 4.188 1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.182 1.760 1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.189 2.654 0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.370 1.827 2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.387 2.665 3.581 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.881 2.778 4.524 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.899 4.220 4.298 1.00 0.00 H new ATOM 168 N ARG A 136 0.638 5.681 0.786 1.00 0.00 N ATOM 169 CA ARG A 136 1.286 6.026 -0.469 1.00 0.00 C ATOM 170 C ARG A 136 2.701 6.524 -0.201 1.00 0.00 C ATOM 171 O ARG A 136 3.597 6.351 -1.023 1.00 0.00 O ATOM 172 CB ARG A 136 0.481 7.096 -1.209 1.00 0.00 C ATOM 173 CG ARG A 136 -0.601 6.527 -2.112 1.00 0.00 C ATOM 174 CD ARG A 136 -1.849 7.397 -2.106 1.00 0.00 C ATOM 175 NE ARG A 136 -2.081 8.029 -3.403 1.00 0.00 N ATOM 176 CZ ARG A 136 -1.434 9.114 -3.824 1.00 0.00 C ATOM 177 NH1 ARG A 136 -0.517 9.689 -3.057 1.00 0.00 N ATOM 178 NH2 ARG A 136 -1.707 9.625 -5.017 1.00 0.00 N ATOM 0 H ARG A 136 -0.256 6.145 0.946 1.00 0.00 H new ATOM 0 HA ARG A 136 1.335 5.136 -1.096 1.00 0.00 H new ATOM 0 HB2 ARG A 136 0.020 7.762 -0.479 1.00 0.00 H new ATOM 0 HB3 ARG A 136 1.161 7.701 -1.808 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.220 6.443 -3.130 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -0.857 5.520 -1.784 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.714 6.789 -1.839 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.751 8.166 -1.340 1.00 0.00 H new ATOM 0 HE ARG A 136 -2.779 7.615 -4.021 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -0.304 9.300 -2.138 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -0.025 10.520 -3.386 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -2.412 9.187 -5.610 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -1.212 10.456 -5.341 1.00 0.00 H new ATOM 192 N LYS A 137 2.892 7.123 0.971 1.00 0.00 N ATOM 193 CA LYS A 137 4.195 7.626 1.372 1.00 0.00 C ATOM 194 C LYS A 137 5.080 6.479 1.836 1.00 0.00 C ATOM 195 O LYS A 137 6.264 6.416 1.506 1.00 0.00 O ATOM 196 CB LYS A 137 4.048 8.660 2.490 1.00 0.00 C ATOM 197 CG LYS A 137 5.354 9.347 2.858 1.00 0.00 C ATOM 198 CD LYS A 137 5.571 10.612 2.040 1.00 0.00 C ATOM 199 CE LYS A 137 5.782 11.825 2.932 1.00 0.00 C ATOM 200 NZ LYS A 137 7.115 11.804 3.594 1.00 0.00 N ATOM 0 H LYS A 137 2.155 7.271 1.660 1.00 0.00 H new ATOM 0 HA LYS A 137 4.660 8.107 0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.324 9.415 2.183 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.642 8.171 3.375 1.00 0.00 H new ATOM 0 HG2 LYS A 137 5.349 9.596 3.919 1.00 0.00 H new ATOM 0 HG3 LYS A 137 6.185 8.661 2.696 1.00 0.00 H new ATOM 0 HD2 LYS A 137 6.437 10.482 1.390 1.00 0.00 H new ATOM 0 HD3 LYS A 137 4.710 10.780 1.393 1.00 0.00 H new ATOM 0 HE2 LYS A 137 5.687 12.734 2.337 1.00 0.00 H new ATOM 0 HE3 LYS A 137 5.000 11.857 3.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 7.219 12.648 4.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 7.197 10.950 4.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 7.862 11.799 2.870 1.00 0.00 H new ATOM 214 N TYR A 138 4.489 5.575 2.611 1.00 0.00 N ATOM 215 CA TYR A 138 5.216 4.429 3.134 1.00 0.00 C ATOM 216 C TYR A 138 5.676 3.518 2.004 1.00 0.00 C ATOM 217 O TYR A 138 6.844 3.135 1.941 1.00 0.00 O ATOM 218 CB TYR A 138 4.321 3.653 4.091 1.00 0.00 C ATOM 219 CG TYR A 138 4.966 2.393 4.614 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.128 2.446 5.370 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.418 1.150 4.335 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.725 1.291 5.837 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.008 -0.006 4.797 1.00 0.00 C ATOM 224 CZ TYR A 138 6.161 0.067 5.548 1.00 0.00 C ATOM 225 OH TYR A 138 6.752 -1.086 6.010 1.00 0.00 O ATOM 0 H TYR A 138 3.509 5.616 2.889 1.00 0.00 H new ATOM 0 HA TYR A 138 6.097 4.788 3.665 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.056 4.294 4.932 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.393 3.394 3.582 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.572 3.404 5.597 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.515 1.087 3.746 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.629 1.347 6.425 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.568 -0.966 4.571 1.00 0.00 H new ATOM 0 HH TYR A 138 6.228 -1.861 5.719 1.00 0.00 H new ATOM 235 N ALA A 139 4.763 3.200 1.096 1.00 0.00 N ATOM 236 CA ALA A 139 5.092 2.368 -0.045 1.00 0.00 C ATOM 237 C ALA A 139 6.083 3.110 -0.919 1.00 0.00 C ATOM 238 O ALA A 139 7.093 2.563 -1.345 1.00 0.00 O ATOM 239 CB ALA A 139 3.840 2.016 -0.837 1.00 0.00 C ATOM 0 H ALA A 139 3.791 3.507 1.131 1.00 0.00 H new ATOM 0 HA ALA A 139 5.535 1.435 0.303 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.111 1.391 -1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.145 1.474 -0.196 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.366 2.930 -1.194 1.00 0.00 H new ATOM 245 N ARG A 140 5.793 4.382 -1.157 1.00 0.00 N ATOM 246 CA ARG A 140 6.664 5.223 -1.959 1.00 0.00 C ATOM 247 C ARG A 140 8.084 5.207 -1.397 1.00 0.00 C ATOM 248 O ARG A 140 9.059 5.318 -2.140 1.00 0.00 O ATOM 249 CB ARG A 140 6.118 6.651 -1.979 1.00 0.00 C ATOM 250 CG ARG A 140 7.003 7.638 -2.720 1.00 0.00 C ATOM 251 CD ARG A 140 6.217 8.393 -3.778 1.00 0.00 C ATOM 252 NE ARG A 140 6.707 9.757 -3.958 1.00 0.00 N ATOM 253 CZ ARG A 140 6.095 10.673 -4.706 1.00 0.00 C ATOM 254 NH1 ARG A 140 4.968 10.376 -5.342 1.00 0.00 N ATOM 255 NH2 ARG A 140 6.612 11.889 -4.818 1.00 0.00 N ATOM 0 H ARG A 140 4.959 4.852 -0.804 1.00 0.00 H new ATOM 0 HA ARG A 140 6.694 4.836 -2.978 1.00 0.00 H new ATOM 0 HB2 ARG A 140 5.131 6.646 -2.441 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.988 6.994 -0.953 1.00 0.00 H new ATOM 0 HG2 ARG A 140 7.437 8.344 -2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.832 7.107 -3.189 1.00 0.00 H new ATOM 0 HD2 ARG A 140 6.279 7.858 -4.726 1.00 0.00 H new ATOM 0 HD3 ARG A 140 5.164 8.421 -3.496 1.00 0.00 H new ATOM 0 HE ARG A 140 7.569 10.024 -3.483 1.00 0.00 H new ATOM 0 HH11 ARG A 140 4.566 9.442 -5.259 1.00 0.00 H new ATOM 0 HH12 ARG A 140 4.504 11.082 -5.914 1.00 0.00 H new ATOM 0 HH21 ARG A 140 7.478 12.122 -4.331 1.00 0.00 H new ATOM 0 HH22 ARG A 140 6.144 12.591 -5.391 1.00 0.00 H new ATOM 269 N GLU A 141 8.189 5.063 -0.078 1.00 0.00 N ATOM 270 CA GLU A 141 9.480 5.023 0.590 1.00 0.00 C ATOM 271 C GLU A 141 10.065 3.619 0.567 1.00 0.00 C ATOM 272 O GLU A 141 11.275 3.438 0.421 1.00 0.00 O ATOM 273 CB GLU A 141 9.334 5.500 2.035 1.00 0.00 C ATOM 274 CG GLU A 141 9.209 7.008 2.172 1.00 0.00 C ATOM 275 CD GLU A 141 10.502 7.733 1.861 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.575 7.100 1.953 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.443 8.934 1.522 1.00 0.00 O ATOM 0 H GLU A 141 7.389 4.972 0.549 1.00 0.00 H new ATOM 0 HA GLU A 141 10.160 5.686 0.055 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.455 5.030 2.476 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.197 5.163 2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.427 7.366 1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.896 7.252 3.187 1.00 0.00 H new ATOM 284 N LYS A 142 9.197 2.630 0.731 1.00 0.00 N ATOM 285 CA LYS A 142 9.610 1.236 0.749 1.00 0.00 C ATOM 286 C LYS A 142 9.743 0.658 -0.662 1.00 0.00 C ATOM 287 O LYS A 142 9.588 -0.547 -0.855 1.00 0.00 O ATOM 288 CB LYS A 142 8.588 0.423 1.545 1.00 0.00 C ATOM 289 CG LYS A 142 8.529 0.766 3.029 1.00 0.00 C ATOM 290 CD LYS A 142 9.905 1.050 3.609 1.00 0.00 C ATOM 291 CE LYS A 142 9.821 1.434 5.077 1.00 0.00 C ATOM 292 NZ LYS A 142 11.169 1.599 5.687 1.00 0.00 N ATOM 0 H LYS A 142 8.194 2.771 0.854 1.00 0.00 H new ATOM 0 HA LYS A 142 10.592 1.180 1.219 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.601 0.577 1.109 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.822 -0.636 1.438 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.889 1.637 3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.071 -0.060 3.573 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.537 0.169 3.498 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.379 1.855 3.048 1.00 0.00 H new ATOM 0 HE2 LYS A 142 9.261 2.364 5.177 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.268 0.669 5.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 11.067 1.861 6.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.695 0.705 5.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.688 2.347 5.185 1.00 0.00 H new ATOM 306 N GLY A 143 10.020 1.513 -1.648 1.00 0.00 N ATOM 307 CA GLY A 143 10.150 1.034 -3.018 1.00 0.00 C ATOM 308 C GLY A 143 8.934 0.243 -3.466 1.00 0.00 C ATOM 309 O GLY A 143 9.007 -0.564 -4.392 1.00 0.00 O ATOM 0 H GLY A 143 10.155 2.517 -1.526 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.295 1.883 -3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.039 0.408 -3.100 1.00 0.00 H new ATOM 313 N VAL A 144 7.818 0.482 -2.791 1.00 0.00 N ATOM 314 CA VAL A 144 6.560 -0.191 -3.076 1.00 0.00 C ATOM 315 C VAL A 144 5.574 0.753 -3.751 1.00 0.00 C ATOM 316 O VAL A 144 5.421 1.904 -3.345 1.00 0.00 O ATOM 317 CB VAL A 144 5.915 -0.701 -1.776 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.614 -1.430 -2.067 1.00 0.00 C ATOM 319 CG2 VAL A 144 6.878 -1.590 -1.009 1.00 0.00 C ATOM 0 H VAL A 144 7.761 1.153 -2.025 1.00 0.00 H new ATOM 0 HA VAL A 144 6.785 -1.025 -3.740 1.00 0.00 H new ATOM 0 HB VAL A 144 5.683 0.161 -1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.177 -1.781 -1.132 1.00 0.00 H new ATOM 0 HG12 VAL A 144 3.919 -0.751 -2.560 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.812 -2.282 -2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.400 -1.939 -0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.151 -2.447 -1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 144 7.774 -1.023 -0.757 1.00 0.00 H new ATOM 329 N ASP A 145 4.884 0.244 -4.757 1.00 0.00 N ATOM 330 CA ASP A 145 3.883 1.017 -5.463 1.00 0.00 C ATOM 331 C ASP A 145 2.526 0.368 -5.250 1.00 0.00 C ATOM 332 O ASP A 145 2.367 -0.831 -5.461 1.00 0.00 O ATOM 333 CB ASP A 145 4.211 1.101 -6.956 1.00 0.00 C ATOM 334 CG ASP A 145 3.400 2.169 -7.664 1.00 0.00 C ATOM 335 OD1 ASP A 145 2.181 1.967 -7.845 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.986 3.206 -8.041 1.00 0.00 O ATOM 0 H ASP A 145 5.002 -0.708 -5.103 1.00 0.00 H new ATOM 0 HA ASP A 145 3.869 2.035 -5.073 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.273 1.312 -7.081 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.021 0.134 -7.423 1.00 0.00 H new ATOM 341 N ILE A 146 1.557 1.153 -4.808 1.00 0.00 N ATOM 342 CA ILE A 146 0.218 0.636 -4.548 1.00 0.00 C ATOM 343 C ILE A 146 -0.284 -0.234 -5.703 1.00 0.00 C ATOM 344 O ILE A 146 -1.112 -1.124 -5.505 1.00 0.00 O ATOM 345 CB ILE A 146 -0.792 1.775 -4.302 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.257 2.756 -3.255 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.135 1.209 -3.863 1.00 0.00 C ATOM 348 CD1 ILE A 146 -0.004 2.122 -1.904 1.00 0.00 C ATOM 0 H ILE A 146 1.670 2.149 -4.621 1.00 0.00 H new ATOM 0 HA ILE A 146 0.294 0.025 -3.648 1.00 0.00 H new ATOM 0 HB ILE A 146 -0.932 2.316 -5.238 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.671 3.194 -3.621 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -0.970 3.572 -3.136 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.836 2.026 -3.694 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.525 0.552 -4.640 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -2.007 0.643 -2.940 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.374 2.876 -1.213 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.935 1.708 -1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.732 1.325 -2.008 1.00 0.00 H new ATOM 360 N ARG A 147 0.228 0.019 -6.906 1.00 0.00 N ATOM 361 CA ARG A 147 -0.175 -0.750 -8.081 1.00 0.00 C ATOM 362 C ARG A 147 0.205 -2.215 -7.918 1.00 0.00 C ATOM 363 O ARG A 147 -0.524 -3.113 -8.340 1.00 0.00 O ATOM 364 CB ARG A 147 0.476 -0.176 -9.341 1.00 0.00 C ATOM 365 CG ARG A 147 -0.176 1.106 -9.833 1.00 0.00 C ATOM 366 CD ARG A 147 0.131 1.361 -11.299 1.00 0.00 C ATOM 367 NE ARG A 147 -0.635 2.486 -11.831 1.00 0.00 N ATOM 368 CZ ARG A 147 -0.349 3.762 -11.582 1.00 0.00 C ATOM 369 NH1 ARG A 147 0.683 4.079 -10.810 1.00 0.00 N ATOM 370 NH2 ARG A 147 -1.097 4.723 -12.106 1.00 0.00 N ATOM 0 H ARG A 147 0.919 0.746 -7.092 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.258 -0.681 -8.181 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.530 0.016 -9.140 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.434 -0.923 -10.134 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -1.255 1.044 -9.692 1.00 0.00 H new ATOM 0 HG3 ARG A 147 0.176 1.947 -9.235 1.00 0.00 H new ATOM 0 HD2 ARG A 147 1.196 1.560 -11.417 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -0.092 0.465 -11.877 1.00 0.00 H new ATOM 0 HE ARG A 147 -1.436 2.281 -12.428 1.00 0.00 H new ATOM 0 HH11 ARG A 147 1.261 3.343 -10.404 1.00 0.00 H new ATOM 0 HH12 ARG A 147 0.898 5.058 -10.622 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -1.891 4.485 -12.700 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -0.878 5.701 -11.915 1.00 0.00 H new ATOM 384 N LEU A 148 1.350 -2.439 -7.295 1.00 0.00 N ATOM 385 CA LEU A 148 1.853 -3.780 -7.050 1.00 0.00 C ATOM 386 C LEU A 148 1.309 -4.333 -5.735 1.00 0.00 C ATOM 387 O LEU A 148 1.530 -5.498 -5.404 1.00 0.00 O ATOM 388 CB LEU A 148 3.384 -3.761 -7.010 1.00 0.00 C ATOM 389 CG LEU A 148 4.037 -2.592 -7.750 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.544 -2.616 -7.576 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.670 -2.624 -9.225 1.00 0.00 C ATOM 0 H LEU A 148 1.956 -1.697 -6.945 1.00 0.00 H new ATOM 0 HA LEU A 148 1.518 -4.427 -7.861 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.705 -3.736 -5.969 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.755 -4.693 -7.436 1.00 0.00 H new ATOM 0 HG LEU A 148 3.660 -1.664 -7.319 1.00 0.00 H new ATOM 0 HD11 LEU A 148 5.985 -1.775 -8.111 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.789 -2.541 -6.517 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.942 -3.549 -7.975 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.143 -1.785 -9.736 1.00 0.00 H new ATOM 0 HD22 LEU A 148 4.016 -3.559 -9.666 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.588 -2.550 -9.332 1.00 0.00 H new ATOM 403 N VAL A 149 0.605 -3.490 -4.982 1.00 0.00 N ATOM 404 CA VAL A 149 0.046 -3.898 -3.700 1.00 0.00 C ATOM 405 C VAL A 149 -1.477 -3.889 -3.736 1.00 0.00 C ATOM 406 O VAL A 149 -2.100 -2.833 -3.834 1.00 0.00 O ATOM 407 CB VAL A 149 0.532 -2.979 -2.562 1.00 0.00 C ATOM 408 CG1 VAL A 149 0.344 -3.650 -1.212 1.00 0.00 C ATOM 409 CG2 VAL A 149 1.989 -2.587 -2.768 1.00 0.00 C ATOM 0 H VAL A 149 0.410 -2.522 -5.239 1.00 0.00 H new ATOM 0 HA VAL A 149 0.392 -4.914 -3.510 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.070 -2.071 -2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.693 -2.984 -0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.712 -3.871 -1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.916 -4.577 -1.184 1.00 0.00 H new ATOM 0 HG21 VAL A 149 2.310 -1.938 -1.953 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.608 -3.484 -2.784 1.00 0.00 H new ATOM 0 HG23 VAL A 149 2.093 -2.058 -3.715 1.00 0.00 H new ATOM 419 N GLN A 150 -2.070 -5.075 -3.653 1.00 0.00 N ATOM 420 CA GLN A 150 -3.521 -5.207 -3.675 1.00 0.00 C ATOM 421 C GLN A 150 -4.119 -4.827 -2.323 1.00 0.00 C ATOM 422 O GLN A 150 -4.075 -5.608 -1.374 1.00 0.00 O ATOM 423 CB GLN A 150 -3.913 -6.641 -4.039 1.00 0.00 C ATOM 424 CG GLN A 150 -4.759 -6.738 -5.298 1.00 0.00 C ATOM 425 CD GLN A 150 -4.367 -7.909 -6.175 1.00 0.00 C ATOM 426 OE1 GLN A 150 -4.976 -8.978 -6.113 1.00 0.00 O ATOM 427 NE2 GLN A 150 -3.344 -7.716 -7.001 1.00 0.00 N ATOM 0 H GLN A 150 -1.567 -5.959 -3.570 1.00 0.00 H new ATOM 0 HA GLN A 150 -3.917 -4.527 -4.429 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -3.008 -7.234 -4.173 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.462 -7.081 -3.207 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -5.809 -6.833 -5.019 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -4.663 -5.814 -5.868 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -2.867 -6.814 -7.020 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -3.036 -8.469 -7.616 1.00 0.00 H new ATOM 436 N GLY A 151 -4.674 -3.622 -2.243 1.00 0.00 N ATOM 437 CA GLY A 151 -5.268 -3.164 -1.003 1.00 0.00 C ATOM 438 C GLY A 151 -6.545 -3.906 -0.663 1.00 0.00 C ATOM 439 O GLY A 151 -7.387 -4.134 -1.531 1.00 0.00 O ATOM 0 H GLY A 151 -4.722 -2.956 -3.014 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.551 -3.291 -0.192 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.480 -2.097 -1.078 1.00 0.00 H new ATOM 443 N THR A 152 -6.685 -4.287 0.603 1.00 0.00 N ATOM 444 CA THR A 152 -7.868 -5.007 1.061 1.00 0.00 C ATOM 445 C THR A 152 -8.621 -4.208 2.122 1.00 0.00 C ATOM 446 O THR A 152 -9.316 -4.780 2.962 1.00 0.00 O ATOM 447 CB THR A 152 -7.468 -6.373 1.621 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.113 -6.368 2.035 1.00 0.00 O ATOM 449 CG2 THR A 152 -7.639 -7.503 0.628 1.00 0.00 C ATOM 0 H THR A 152 -5.993 -4.109 1.331 1.00 0.00 H new ATOM 0 HA THR A 152 -8.530 -5.149 0.207 1.00 0.00 H new ATOM 0 HB THR A 152 -8.139 -6.546 2.462 1.00 0.00 H new ATOM 0 HG1 THR A 152 -5.877 -7.250 2.392 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.337 -8.443 1.091 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.684 -7.567 0.326 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.019 -7.314 -0.248 1.00 0.00 H new ATOM 457 N GLY A 153 -8.472 -2.887 2.086 1.00 0.00 N ATOM 458 CA GLY A 153 -9.139 -2.042 3.061 1.00 0.00 C ATOM 459 C GLY A 153 -10.375 -1.356 2.510 1.00 0.00 C ATOM 460 O GLY A 153 -10.324 -0.715 1.462 1.00 0.00 O ATOM 0 H GLY A 153 -7.903 -2.388 1.402 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.420 -2.646 3.924 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.439 -1.286 3.416 1.00 0.00 H new ATOM 464 N LYS A 154 -11.486 -1.485 3.230 1.00 0.00 N ATOM 465 CA LYS A 154 -12.746 -0.872 2.829 1.00 0.00 C ATOM 466 C LYS A 154 -13.152 -1.289 1.413 1.00 0.00 C ATOM 467 O LYS A 154 -13.902 -2.249 1.236 1.00 0.00 O ATOM 468 CB LYS A 154 -12.647 0.652 2.934 1.00 0.00 C ATOM 469 CG LYS A 154 -13.931 1.369 2.551 1.00 0.00 C ATOM 470 CD LYS A 154 -14.479 2.195 3.704 1.00 0.00 C ATOM 471 CE LYS A 154 -13.639 3.439 3.949 1.00 0.00 C ATOM 472 NZ LYS A 154 -13.354 3.640 5.396 1.00 0.00 N ATOM 0 H LYS A 154 -11.537 -2.013 4.101 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.522 -1.226 3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -12.380 0.922 3.956 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -11.839 1.001 2.291 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -13.744 2.018 1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -14.677 0.638 2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -15.507 2.486 3.488 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -14.503 1.587 4.609 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -12.700 3.356 3.402 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -14.160 4.312 3.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -12.779 4.498 5.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -14.249 3.744 5.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -12.834 2.818 5.765 1.00 0.00 H new ATOM 486 N ASN A 155 -12.660 -0.566 0.409 1.00 0.00 N ATOM 487 CA ASN A 155 -12.985 -0.871 -0.981 1.00 0.00 C ATOM 488 C ASN A 155 -11.758 -1.385 -1.726 1.00 0.00 C ATOM 489 O ASN A 155 -11.625 -1.189 -2.935 1.00 0.00 O ATOM 490 CB ASN A 155 -13.538 0.370 -1.682 1.00 0.00 C ATOM 491 CG ASN A 155 -14.882 0.797 -1.128 1.00 0.00 C ATOM 492 OD1 ASN A 155 -15.900 0.150 -1.370 1.00 0.00 O ATOM 493 ND2 ASN A 155 -14.891 1.893 -0.378 1.00 0.00 N ATOM 0 H ASN A 155 -12.037 0.232 0.532 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.745 -1.652 -0.987 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -12.828 1.190 -1.577 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -13.636 0.168 -2.749 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -15.766 2.229 0.023 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -14.022 2.399 -0.203 1.00 0.00 H new ATOM 500 N GLY A 156 -10.865 -2.045 -0.999 1.00 0.00 N ATOM 501 CA GLY A 156 -9.661 -2.578 -1.608 1.00 0.00 C ATOM 502 C GLY A 156 -8.486 -1.622 -1.519 1.00 0.00 C ATOM 503 O GLY A 156 -7.512 -1.757 -2.259 1.00 0.00 O ATOM 0 H GLY A 156 -10.953 -2.221 0.002 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.398 -3.517 -1.121 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -9.859 -2.807 -2.655 1.00 0.00 H new ATOM 507 N ARG A 157 -8.576 -0.655 -0.611 1.00 0.00 N ATOM 508 CA ARG A 157 -7.513 0.326 -0.428 1.00 0.00 C ATOM 509 C ARG A 157 -6.302 -0.310 0.246 1.00 0.00 C ATOM 510 O ARG A 157 -6.445 -1.141 1.143 1.00 0.00 O ATOM 511 CB ARG A 157 -8.025 1.506 0.405 1.00 0.00 C ATOM 512 CG ARG A 157 -6.943 2.496 0.806 1.00 0.00 C ATOM 513 CD ARG A 157 -7.464 3.521 1.798 1.00 0.00 C ATOM 514 NE ARG A 157 -8.621 4.247 1.279 1.00 0.00 N ATOM 515 CZ ARG A 157 -9.467 4.936 2.041 1.00 0.00 C ATOM 516 NH1 ARG A 157 -9.290 4.995 3.355 1.00 0.00 N ATOM 517 NH2 ARG A 157 -10.494 5.567 1.487 1.00 0.00 N ATOM 0 H ARG A 157 -9.375 -0.530 0.010 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.206 0.691 -1.408 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.792 2.032 -0.163 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.503 1.121 1.306 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -6.102 1.959 1.245 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.568 3.006 -0.082 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -7.737 3.020 2.727 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.670 4.228 2.039 1.00 0.00 H new ATOM 0 HE ARG A 157 -8.790 4.224 0.273 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -8.502 4.511 3.786 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -9.942 5.525 3.934 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -10.635 5.524 0.478 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -11.143 6.095 2.070 1.00 0.00 H new ATOM 531 N VAL A 158 -5.110 0.082 -0.196 1.00 0.00 N ATOM 532 CA VAL A 158 -3.876 -0.456 0.361 1.00 0.00 C ATOM 533 C VAL A 158 -3.573 0.154 1.724 1.00 0.00 C ATOM 534 O VAL A 158 -3.586 1.374 1.893 1.00 0.00 O ATOM 535 CB VAL A 158 -2.674 -0.218 -0.583 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.351 -0.427 0.143 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.756 -1.135 -1.788 1.00 0.00 C ATOM 0 H VAL A 158 -4.974 0.769 -0.937 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.026 -1.530 0.475 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.717 0.817 -0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.526 -0.252 -0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.280 0.270 0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.300 -1.449 0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.903 -0.954 -2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.746 -2.173 -1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.679 -0.938 -2.333 1.00 0.00 H new ATOM 547 N LEU A 159 -3.284 -0.709 2.686 1.00 0.00 N ATOM 548 CA LEU A 159 -2.955 -0.274 4.035 1.00 0.00 C ATOM 549 C LEU A 159 -1.462 -0.439 4.285 1.00 0.00 C ATOM 550 O LEU A 159 -0.782 -1.150 3.547 1.00 0.00 O ATOM 551 CB LEU A 159 -3.746 -1.093 5.058 1.00 0.00 C ATOM 552 CG LEU A 159 -5.260 -0.851 5.066 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.874 -1.369 6.357 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.576 0.628 4.880 1.00 0.00 C ATOM 0 H LEU A 159 -3.271 -1.721 2.556 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.220 0.778 4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.565 -2.151 4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.355 -0.876 6.052 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.696 -1.398 4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.949 -1.189 6.346 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.686 -2.439 6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.428 -0.851 7.206 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.656 0.773 4.889 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -5.126 1.201 5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.172 0.969 3.927 1.00 0.00 H new ATOM 566 N LYS A 160 -0.948 0.204 5.327 1.00 0.00 N ATOM 567 CA LYS A 160 0.470 0.085 5.640 1.00 0.00 C ATOM 568 C LYS A 160 0.834 -1.381 5.820 1.00 0.00 C ATOM 569 O LYS A 160 1.938 -1.808 5.477 1.00 0.00 O ATOM 570 CB LYS A 160 0.823 0.879 6.899 1.00 0.00 C ATOM 571 CG LYS A 160 2.318 0.936 7.178 1.00 0.00 C ATOM 572 CD LYS A 160 2.645 0.462 8.585 1.00 0.00 C ATOM 573 CE LYS A 160 4.047 -0.123 8.669 1.00 0.00 C ATOM 574 NZ LYS A 160 4.900 0.615 9.641 1.00 0.00 N ATOM 0 H LYS A 160 -1.480 0.802 5.959 1.00 0.00 H new ATOM 0 HA LYS A 160 1.044 0.499 4.811 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.441 1.895 6.798 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.318 0.432 7.755 1.00 0.00 H new ATOM 0 HG2 LYS A 160 2.847 0.318 6.453 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.674 1.958 7.046 1.00 0.00 H new ATOM 0 HD2 LYS A 160 2.557 1.297 9.280 1.00 0.00 H new ATOM 0 HD3 LYS A 160 1.918 -0.289 8.894 1.00 0.00 H new ATOM 0 HE2 LYS A 160 3.986 -1.171 8.962 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.512 -0.094 7.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 5.847 0.185 9.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 4.980 1.610 9.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 4.470 0.566 10.587 1.00 0.00 H new ATOM 588 N GLU A 161 -0.118 -2.157 6.331 1.00 0.00 N ATOM 589 CA GLU A 161 0.088 -3.583 6.524 1.00 0.00 C ATOM 590 C GLU A 161 0.272 -4.251 5.169 1.00 0.00 C ATOM 591 O GLU A 161 1.072 -5.174 5.018 1.00 0.00 O ATOM 592 CB GLU A 161 -1.101 -4.204 7.262 1.00 0.00 C ATOM 593 CG GLU A 161 -1.248 -3.719 8.695 1.00 0.00 C ATOM 594 CD GLU A 161 -1.018 -4.821 9.712 1.00 0.00 C ATOM 595 OE1 GLU A 161 -1.981 -5.556 10.017 1.00 0.00 O ATOM 596 OE2 GLU A 161 0.123 -4.949 10.202 1.00 0.00 O ATOM 0 H GLU A 161 -1.037 -1.820 6.617 1.00 0.00 H new ATOM 0 HA GLU A 161 0.981 -3.736 7.130 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -2.016 -3.977 6.715 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.991 -5.288 7.264 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.540 -2.910 8.875 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -2.247 -3.305 8.834 1.00 0.00 H new ATOM 603 N ASP A 162 -0.465 -3.753 4.177 1.00 0.00 N ATOM 604 CA ASP A 162 -0.375 -4.276 2.821 1.00 0.00 C ATOM 605 C ASP A 162 1.014 -4.009 2.257 1.00 0.00 C ATOM 606 O ASP A 162 1.670 -4.906 1.726 1.00 0.00 O ATOM 607 CB ASP A 162 -1.436 -3.629 1.929 1.00 0.00 C ATOM 608 CG ASP A 162 -2.761 -4.361 1.977 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.768 -5.594 1.779 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.795 -3.700 2.213 1.00 0.00 O ATOM 0 H ASP A 162 -1.130 -2.988 4.290 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.551 -5.351 2.846 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.585 -2.595 2.239 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -1.075 -3.605 0.901 1.00 0.00 H new ATOM 615 N ILE A 163 1.457 -2.764 2.394 1.00 0.00 N ATOM 616 CA ILE A 163 2.777 -2.354 1.921 1.00 0.00 C ATOM 617 C ILE A 163 3.858 -3.276 2.471 1.00 0.00 C ATOM 618 O ILE A 163 4.665 -3.825 1.720 1.00 0.00 O ATOM 619 CB ILE A 163 3.109 -0.911 2.358 1.00 0.00 C ATOM 620 CG1 ILE A 163 1.984 0.044 1.970 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.433 -0.456 1.750 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.678 0.031 0.497 1.00 0.00 C ATOM 0 H ILE A 163 0.919 -2.016 2.831 1.00 0.00 H new ATOM 0 HA ILE A 163 2.753 -2.409 0.833 1.00 0.00 H new ATOM 0 HB ILE A 163 3.207 -0.899 3.443 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.084 -0.221 2.524 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.256 1.056 2.269 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.649 0.563 2.070 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.233 -1.118 2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.364 -0.488 0.663 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.869 0.731 0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.567 0.325 -0.062 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.376 -0.972 0.197 1.00 0.00 H new ATOM 634 N ASP A 164 3.868 -3.437 3.791 1.00 0.00 N ATOM 635 CA ASP A 164 4.848 -4.288 4.452 1.00 0.00 C ATOM 636 C ASP A 164 4.775 -5.718 3.922 1.00 0.00 C ATOM 637 O ASP A 164 5.797 -6.319 3.587 1.00 0.00 O ATOM 638 CB ASP A 164 4.622 -4.280 5.965 1.00 0.00 C ATOM 639 CG ASP A 164 5.781 -4.891 6.726 1.00 0.00 C ATOM 640 OD1 ASP A 164 6.943 -4.627 6.351 1.00 0.00 O ATOM 641 OD2 ASP A 164 5.528 -5.634 7.698 1.00 0.00 O ATOM 0 H ASP A 164 3.206 -2.988 4.424 1.00 0.00 H new ATOM 0 HA ASP A 164 5.840 -3.891 4.237 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.471 -3.254 6.301 1.00 0.00 H new ATOM 0 HB3 ASP A 164 3.709 -4.829 6.196 1.00 0.00 H new ATOM 646 N ALA A 165 3.561 -6.257 3.850 1.00 0.00 N ATOM 647 CA ALA A 165 3.354 -7.616 3.361 1.00 0.00 C ATOM 648 C ALA A 165 3.895 -7.775 1.945 1.00 0.00 C ATOM 649 O ALA A 165 4.436 -8.823 1.590 1.00 0.00 O ATOM 650 CB ALA A 165 1.876 -7.974 3.409 1.00 0.00 C ATOM 0 H ALA A 165 2.706 -5.773 4.124 1.00 0.00 H new ATOM 0 HA ALA A 165 3.902 -8.299 4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.736 -8.991 3.041 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.519 -7.907 4.437 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.313 -7.281 2.783 1.00 0.00 H new ATOM 656 N TRP A 166 3.751 -6.726 1.144 1.00 0.00 N ATOM 657 CA TRP A 166 4.227 -6.737 -0.230 1.00 0.00 C ATOM 658 C TRP A 166 5.732 -6.963 -0.268 1.00 0.00 C ATOM 659 O TRP A 166 6.217 -7.908 -0.893 1.00 0.00 O ATOM 660 CB TRP A 166 3.883 -5.408 -0.894 1.00 0.00 C ATOM 661 CG TRP A 166 4.147 -5.383 -2.364 1.00 0.00 C ATOM 662 CD1 TRP A 166 3.353 -5.879 -3.355 1.00 0.00 C ATOM 663 CD2 TRP A 166 5.291 -4.825 -3.006 1.00 0.00 C ATOM 664 NE1 TRP A 166 3.943 -5.661 -4.578 1.00 0.00 N ATOM 665 CE2 TRP A 166 5.134 -5.017 -4.388 1.00 0.00 C ATOM 666 CE3 TRP A 166 6.433 -4.183 -2.540 1.00 0.00 C ATOM 667 CZ2 TRP A 166 6.081 -4.588 -5.311 1.00 0.00 C ATOM 668 CZ3 TRP A 166 7.375 -3.753 -3.456 1.00 0.00 C ATOM 669 CH2 TRP A 166 7.194 -3.959 -4.830 1.00 0.00 C ATOM 0 H TRP A 166 3.305 -5.853 1.427 1.00 0.00 H new ATOM 0 HA TRP A 166 3.742 -7.550 -0.769 1.00 0.00 H new ATOM 0 HB2 TRP A 166 2.830 -5.187 -0.720 1.00 0.00 H new ATOM 0 HB3 TRP A 166 4.458 -4.614 -0.417 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.403 -6.370 -3.203 1.00 0.00 H new ATOM 0 HE1 TRP A 166 3.555 -5.935 -5.481 1.00 0.00 H new ATOM 0 HE3 TRP A 166 6.581 -4.023 -1.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 5.942 -4.746 -6.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 8.265 -3.250 -3.107 1.00 0.00 H new ATOM 0 HH2 TRP A 166 7.948 -3.614 -5.522 1.00 0.00 H new ATOM 680 N LEU A 167 6.461 -6.089 0.411 1.00 0.00 N ATOM 681 CA LEU A 167 7.917 -6.179 0.472 1.00 0.00 C ATOM 682 C LEU A 167 8.361 -7.553 0.967 1.00 0.00 C ATOM 683 O LEU A 167 9.410 -8.058 0.570 1.00 0.00 O ATOM 684 CB LEU A 167 8.477 -5.090 1.391 1.00 0.00 C ATOM 685 CG LEU A 167 8.267 -3.660 0.891 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.687 -2.783 1.990 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.569 -3.072 0.366 1.00 0.00 C ATOM 0 H LEU A 167 6.067 -5.305 0.931 1.00 0.00 H new ATOM 0 HA LEU A 167 8.306 -6.034 -0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.014 -5.189 2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.545 -5.260 1.524 1.00 0.00 H new ATOM 0 HG LEU A 167 7.553 -3.693 0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.546 -1.771 1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.727 -3.188 2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.372 -2.761 2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.394 -2.055 0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.310 -3.058 1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 167 9.937 -3.681 -0.460 1.00 0.00 H new ATOM 699 N ALA A 168 7.553 -8.150 1.837 1.00 0.00 N ATOM 700 CA ALA A 168 7.861 -9.466 2.387 1.00 0.00 C ATOM 701 C ALA A 168 7.752 -10.549 1.320 1.00 0.00 C ATOM 702 O ALA A 168 8.382 -11.601 1.424 1.00 0.00 O ATOM 703 CB ALA A 168 6.936 -9.777 3.554 1.00 0.00 C ATOM 0 H ALA A 168 6.681 -7.744 2.176 1.00 0.00 H new ATOM 0 HA ALA A 168 8.890 -9.451 2.745 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.176 -10.761 3.956 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.067 -9.026 4.333 1.00 0.00 H new ATOM 0 HB3 ALA A 168 5.901 -9.767 3.211 1.00 0.00 H new