USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=5 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 149:sc= 0 (180deg=-1.14) 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 142 LYS NZ :NH3+ 159:sc= 0.495 (180deg=0.257) USER MOD Single : A 150 GLN : amide:sc= -0.245 X(o=-0.24,f=-0.067) 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= -0.67 K(o=-0.67,f=-3!) USER MOD Single : A 160 LYS NZ :NH3+ 130:sc= -0.257 (180deg=-1.27!) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 130 5.762 4.177 4.424 1.00 0.00 N ATOM 82 CA ILE A 130 6.328 4.535 3.129 1.00 0.00 C ATOM 83 C ILE A 130 5.498 3.964 1.985 1.00 0.00 C ATOM 84 O ILE A 130 5.317 2.750 1.880 1.00 0.00 O ATOM 85 CB ILE A 130 7.779 4.033 2.991 1.00 0.00 C ATOM 86 CG1 ILE A 130 8.593 4.399 4.234 1.00 0.00 C ATOM 87 CG2 ILE A 130 8.422 4.608 1.738 1.00 0.00 C ATOM 88 CD1 ILE A 130 9.177 3.200 4.949 1.00 0.00 C ATOM 0 HA ILE A 130 6.318 5.624 3.073 1.00 0.00 H new ATOM 0 HB ILE A 130 7.764 2.947 2.901 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.403 5.069 3.944 1.00 0.00 H new ATOM 0 HG13 ILE A 130 7.956 4.950 4.926 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.446 4.244 1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 130 7.854 4.296 0.862 1.00 0.00 H new ATOM 0 HG23 ILE A 130 8.427 5.696 1.798 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.741 3.535 5.820 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.371 2.540 5.270 1.00 0.00 H new ATOM 0 HD13 ILE A 130 9.840 2.661 4.273 1.00 0.00 H new ATOM 100 N ALA A 131 4.994 4.846 1.128 1.00 0.00 N ATOM 101 CA ALA A 131 4.186 4.430 -0.012 1.00 0.00 C ATOM 102 C ALA A 131 3.938 5.595 -0.962 1.00 0.00 C ATOM 103 O ALA A 131 4.166 6.754 -0.613 1.00 0.00 O ATOM 104 CB ALA A 131 2.867 3.840 0.461 1.00 0.00 C ATOM 0 H ALA A 131 5.131 5.854 1.202 1.00 0.00 H new ATOM 0 HA ALA A 131 4.738 3.663 -0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 131 2.275 3.534 -0.402 1.00 0.00 H new ATOM 0 HB2 ALA A 131 3.062 2.974 1.093 1.00 0.00 H new ATOM 0 HB3 ALA A 131 2.317 4.589 1.031 1.00 0.00 H new ATOM 110 N MET A 132 3.467 5.282 -2.164 1.00 0.00 N ATOM 111 CA MET A 132 3.184 6.305 -3.163 1.00 0.00 C ATOM 112 C MET A 132 1.732 6.764 -3.071 1.00 0.00 C ATOM 113 O MET A 132 0.853 5.992 -2.687 1.00 0.00 O ATOM 114 CB MET A 132 3.474 5.773 -4.568 1.00 0.00 C ATOM 115 CG MET A 132 4.958 5.635 -4.871 1.00 0.00 C ATOM 116 SD MET A 132 5.372 6.129 -6.556 1.00 0.00 S ATOM 117 CE MET A 132 5.246 7.911 -6.426 1.00 0.00 C ATOM 0 H MET A 132 3.273 4.328 -2.470 1.00 0.00 H new ATOM 0 HA MET A 132 3.832 7.159 -2.966 1.00 0.00 H new ATOM 0 HB2 MET A 132 2.996 4.801 -4.685 1.00 0.00 H new ATOM 0 HB3 MET A 132 3.022 6.441 -5.301 1.00 0.00 H new ATOM 0 HG2 MET A 132 5.527 6.244 -4.168 1.00 0.00 H new ATOM 0 HG3 MET A 132 5.262 4.600 -4.715 1.00 0.00 H new ATOM 0 HE1 MET A 132 5.950 8.377 -7.116 1.00 0.00 H new ATOM 0 HE2 MET A 132 4.232 8.223 -6.676 1.00 0.00 H new ATOM 0 HE3 MET A 132 5.480 8.219 -5.407 1.00 0.00 H new ATOM 127 N PRO A 133 1.458 8.032 -3.423 1.00 0.00 N ATOM 128 CA PRO A 133 0.101 8.587 -3.376 1.00 0.00 C ATOM 129 C PRO A 133 -0.914 7.697 -4.085 1.00 0.00 C ATOM 130 O PRO A 133 -2.084 7.647 -3.704 1.00 0.00 O ATOM 131 CB PRO A 133 0.241 9.925 -4.104 1.00 0.00 C ATOM 132 CG PRO A 133 1.668 10.309 -3.917 1.00 0.00 C ATOM 133 CD PRO A 133 2.446 9.021 -3.894 1.00 0.00 C ATOM 0 HA PRO A 133 -0.268 8.679 -2.354 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.008 9.829 -5.161 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.429 10.676 -3.685 1.00 0.00 H new ATOM 0 HG2 PRO A 133 2.007 10.955 -4.727 1.00 0.00 H new ATOM 0 HG3 PRO A 133 1.804 10.863 -2.988 1.00 0.00 H new ATOM 0 HD2 PRO A 133 2.830 8.766 -4.882 1.00 0.00 H new ATOM 0 HD3 PRO A 133 3.304 9.082 -3.224 1.00 0.00 H new ATOM 141 N SER A 134 -0.457 6.991 -5.114 1.00 0.00 N ATOM 142 CA SER A 134 -1.325 6.098 -5.872 1.00 0.00 C ATOM 143 C SER A 134 -1.788 4.933 -5.005 1.00 0.00 C ATOM 144 O SER A 134 -2.948 4.523 -5.065 1.00 0.00 O ATOM 145 CB SER A 134 -0.596 5.574 -7.110 1.00 0.00 C ATOM 146 OG SER A 134 -0.833 6.406 -8.233 1.00 0.00 O ATOM 0 H SER A 134 0.508 7.020 -5.442 1.00 0.00 H new ATOM 0 HA SER A 134 -2.202 6.662 -6.191 1.00 0.00 H new ATOM 0 HB2 SER A 134 0.474 5.523 -6.911 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.928 4.559 -7.329 1.00 0.00 H new ATOM 0 HG SER A 134 -0.354 6.050 -9.011 1.00 0.00 H new ATOM 152 N VAL A 135 -0.874 4.403 -4.198 1.00 0.00 N ATOM 153 CA VAL A 135 -1.188 3.286 -3.318 1.00 0.00 C ATOM 154 C VAL A 135 -2.069 3.736 -2.161 1.00 0.00 C ATOM 155 O VAL A 135 -3.053 3.078 -1.824 1.00 0.00 O ATOM 156 CB VAL A 135 0.089 2.631 -2.764 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.251 1.391 -1.950 1.00 0.00 C ATOM 158 CG2 VAL A 135 1.036 2.286 -3.902 1.00 0.00 C ATOM 0 H VAL A 135 0.090 4.730 -4.136 1.00 0.00 H new ATOM 0 HA VAL A 135 -1.728 2.550 -3.914 1.00 0.00 H new ATOM 0 HB VAL A 135 0.585 3.341 -2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 135 0.667 0.944 -1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -0.894 1.669 -1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.769 0.671 -2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 135 1.936 1.823 -3.498 1.00 0.00 H new ATOM 0 HG22 VAL A 135 0.546 1.592 -4.585 1.00 0.00 H new ATOM 0 HG23 VAL A 135 1.305 3.195 -4.440 1.00 0.00 H new ATOM 168 N ARG A 136 -1.719 4.870 -1.566 1.00 0.00 N ATOM 169 CA ARG A 136 -2.493 5.414 -0.456 1.00 0.00 C ATOM 170 C ARG A 136 -3.929 5.650 -0.897 1.00 0.00 C ATOM 171 O ARG A 136 -4.876 5.272 -0.209 1.00 0.00 O ATOM 172 CB ARG A 136 -1.877 6.724 0.036 1.00 0.00 C ATOM 173 CG ARG A 136 -0.838 6.536 1.128 1.00 0.00 C ATOM 174 CD ARG A 136 -1.413 6.829 2.508 1.00 0.00 C ATOM 175 NE ARG A 136 -2.164 8.082 2.536 1.00 0.00 N ATOM 176 CZ ARG A 136 -2.971 8.439 3.532 1.00 0.00 C ATOM 177 NH1 ARG A 136 -3.136 7.642 4.581 1.00 0.00 N ATOM 178 NH2 ARG A 136 -3.615 9.597 3.480 1.00 0.00 N ATOM 0 H ARG A 136 -0.908 5.429 -1.832 1.00 0.00 H new ATOM 0 HA ARG A 136 -2.481 4.696 0.364 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -1.416 7.238 -0.807 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -2.671 7.371 0.409 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.461 5.514 1.100 1.00 0.00 H new ATOM 0 HG3 ARG A 136 0.011 7.194 0.940 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.065 6.009 2.810 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -0.603 6.876 3.235 1.00 0.00 H new ATOM 0 HE ARG A 136 -2.064 8.720 1.746 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -2.643 6.750 4.627 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -3.756 7.921 5.341 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -3.492 10.214 2.677 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -4.234 9.871 4.243 1.00 0.00 H new ATOM 192 N LYS A 137 -4.074 6.266 -2.063 1.00 0.00 N ATOM 193 CA LYS A 137 -5.388 6.543 -2.623 1.00 0.00 C ATOM 194 C LYS A 137 -6.119 5.235 -2.906 1.00 0.00 C ATOM 195 O LYS A 137 -7.321 5.119 -2.669 1.00 0.00 O ATOM 196 CB LYS A 137 -5.250 7.373 -3.906 1.00 0.00 C ATOM 197 CG LYS A 137 -6.436 7.256 -4.852 1.00 0.00 C ATOM 198 CD LYS A 137 -6.247 8.115 -6.092 1.00 0.00 C ATOM 199 CE LYS A 137 -5.377 7.418 -7.125 1.00 0.00 C ATOM 200 NZ LYS A 137 -5.517 8.033 -8.475 1.00 0.00 N ATOM 0 H LYS A 137 -3.295 6.584 -2.640 1.00 0.00 H new ATOM 0 HA LYS A 137 -5.970 7.117 -1.902 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -5.116 8.420 -3.636 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -4.347 7.062 -4.432 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -6.567 6.215 -5.146 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -7.347 7.558 -4.334 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -7.219 8.344 -6.529 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -5.791 9.065 -5.812 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -4.334 7.464 -6.812 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -5.648 6.364 -7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -4.908 7.529 -9.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -6.507 7.967 -8.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -5.234 9.033 -8.432 1.00 0.00 H new ATOM 214 N TRP A 138 -5.380 4.249 -3.408 1.00 0.00 N ATOM 215 CA TRP A 138 -5.956 2.949 -3.715 1.00 0.00 C ATOM 216 C TRP A 138 -6.472 2.288 -2.443 1.00 0.00 C ATOM 217 O TRP A 138 -7.592 1.776 -2.407 1.00 0.00 O ATOM 218 CB TRP A 138 -4.910 2.068 -4.403 1.00 0.00 C ATOM 219 CG TRP A 138 -5.313 0.632 -4.527 1.00 0.00 C ATOM 220 CD1 TRP A 138 -4.741 -0.429 -3.893 1.00 0.00 C ATOM 221 CD2 TRP A 138 -6.368 0.099 -5.335 1.00 0.00 C ATOM 222 NE1 TRP A 138 -5.375 -1.593 -4.254 1.00 0.00 N ATOM 223 CE2 TRP A 138 -6.379 -1.295 -5.139 1.00 0.00 C ATOM 224 CE3 TRP A 138 -7.306 0.665 -6.203 1.00 0.00 C ATOM 225 CZ2 TRP A 138 -7.290 -2.130 -5.781 1.00 0.00 C ATOM 226 CZ3 TRP A 138 -8.209 -0.164 -6.839 1.00 0.00 C ATOM 227 CH2 TRP A 138 -8.196 -1.549 -6.625 1.00 0.00 C ATOM 0 H TRP A 138 -4.383 4.328 -3.609 1.00 0.00 H new ATOM 0 HA TRP A 138 -6.799 3.081 -4.394 1.00 0.00 H new ATOM 0 HB2 TRP A 138 -4.711 2.467 -5.398 1.00 0.00 H new ATOM 0 HB3 TRP A 138 -3.976 2.126 -3.844 1.00 0.00 H new ATOM 0 HD1 TRP A 138 -3.910 -0.365 -3.206 1.00 0.00 H new ATOM 0 HE1 TRP A 138 -5.138 -2.527 -3.918 1.00 0.00 H new ATOM 0 HE3 TRP A 138 -7.324 1.731 -6.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 -7.281 -3.198 -5.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 -8.938 0.262 -7.513 1.00 0.00 H new ATOM 0 HH2 TRP A 138 -8.916 -2.170 -7.137 1.00 0.00 H new ATOM 238 N ALA A 139 -5.657 2.318 -1.396 1.00 0.00 N ATOM 239 CA ALA A 139 -6.039 1.739 -0.119 1.00 0.00 C ATOM 240 C ALA A 139 -7.228 2.491 0.466 1.00 0.00 C ATOM 241 O ALA A 139 -8.203 1.887 0.904 1.00 0.00 O ATOM 242 CB ALA A 139 -4.863 1.766 0.846 1.00 0.00 C ATOM 0 H ALA A 139 -4.727 2.738 -1.408 1.00 0.00 H new ATOM 0 HA ALA A 139 -6.330 0.701 -0.278 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -5.164 1.329 1.798 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -4.036 1.192 0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.545 2.797 1.004 1.00 0.00 H new ATOM 248 N ARG A 140 -7.141 3.817 0.458 1.00 0.00 N ATOM 249 CA ARG A 140 -8.211 4.657 0.982 1.00 0.00 C ATOM 250 C ARG A 140 -9.518 4.401 0.236 1.00 0.00 C ATOM 251 O ARG A 140 -10.603 4.551 0.797 1.00 0.00 O ATOM 252 CB ARG A 140 -7.828 6.134 0.871 1.00 0.00 C ATOM 253 CG ARG A 140 -8.713 7.055 1.694 1.00 0.00 C ATOM 254 CD ARG A 140 -8.378 8.518 1.445 1.00 0.00 C ATOM 255 NE ARG A 140 -9.412 9.412 1.961 1.00 0.00 N ATOM 256 CZ ARG A 140 -9.288 10.736 2.014 1.00 0.00 C ATOM 257 NH1 ARG A 140 -8.178 11.323 1.582 1.00 0.00 N ATOM 258 NH2 ARG A 140 -10.276 11.476 2.498 1.00 0.00 N ATOM 0 H ARG A 140 -6.340 4.333 0.094 1.00 0.00 H new ATOM 0 HA ARG A 140 -8.357 4.404 2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -6.793 6.257 1.190 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -7.877 6.436 -0.175 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -9.759 6.873 1.447 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -8.591 6.828 2.753 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -7.424 8.757 1.916 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -8.256 8.685 0.375 1.00 0.00 H new ATOM 0 HE ARG A 140 -10.280 8.997 2.301 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -7.415 10.759 1.207 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -8.088 12.338 1.625 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -11.131 11.031 2.830 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -10.181 12.491 2.538 1.00 0.00 H new ATOM 272 N GLU A 141 -9.407 4.015 -1.033 1.00 0.00 N ATOM 273 CA GLU A 141 -10.583 3.740 -1.851 1.00 0.00 C ATOM 274 C GLU A 141 -11.130 2.344 -1.570 1.00 0.00 C ATOM 275 O GLU A 141 -12.334 2.107 -1.668 1.00 0.00 O ATOM 276 CB GLU A 141 -10.239 3.876 -3.336 1.00 0.00 C ATOM 277 CG GLU A 141 -10.443 5.280 -3.882 1.00 0.00 C ATOM 278 CD GLU A 141 -10.100 5.388 -5.354 1.00 0.00 C ATOM 279 OE1 GLU A 141 -8.902 5.539 -5.675 1.00 0.00 O ATOM 280 OE2 GLU A 141 -11.029 5.321 -6.186 1.00 0.00 O ATOM 0 H GLU A 141 -8.517 3.886 -1.515 1.00 0.00 H new ATOM 0 HA GLU A 141 -11.351 4.469 -1.593 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -9.200 3.584 -3.488 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -10.853 3.180 -3.908 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -11.481 5.577 -3.732 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -9.826 5.979 -3.317 1.00 0.00 H new ATOM 287 N LYS A 142 -10.238 1.422 -1.221 1.00 0.00 N ATOM 288 CA LYS A 142 -10.633 0.048 -0.928 1.00 0.00 C ATOM 289 C LYS A 142 -10.905 -0.153 0.563 1.00 0.00 C ATOM 290 O LYS A 142 -11.340 -1.227 0.980 1.00 0.00 O ATOM 291 CB LYS A 142 -9.547 -0.924 -1.395 1.00 0.00 C ATOM 292 CG LYS A 142 -10.092 -2.142 -2.123 1.00 0.00 C ATOM 293 CD LYS A 142 -9.980 -1.989 -3.631 1.00 0.00 C ATOM 294 CE LYS A 142 -11.163 -2.623 -4.345 1.00 0.00 C ATOM 295 NZ LYS A 142 -11.424 -1.983 -5.664 1.00 0.00 N ATOM 0 H LYS A 142 -9.238 1.601 -1.134 1.00 0.00 H new ATOM 0 HA LYS A 142 -11.558 -0.154 -1.469 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -8.857 -0.396 -2.054 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -8.972 -1.255 -0.531 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -9.547 -3.031 -1.805 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -11.136 -2.294 -1.849 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -9.924 -0.931 -3.887 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -9.055 -2.451 -3.977 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -10.973 -3.687 -4.489 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -12.052 -2.540 -3.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -11.972 -2.633 -6.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -11.963 -1.105 -5.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -10.520 -1.763 -6.128 1.00 0.00 H new ATOM 309 N GLY A 143 -10.644 0.878 1.365 1.00 0.00 N ATOM 310 CA GLY A 143 -10.869 0.777 2.796 1.00 0.00 C ATOM 311 C GLY A 143 -9.602 0.444 3.566 1.00 0.00 C ATOM 312 O GLY A 143 -9.582 0.507 4.795 1.00 0.00 O ATOM 0 H GLY A 143 -10.282 1.778 1.050 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -11.276 1.719 3.163 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -11.619 0.010 2.989 1.00 0.00 H new ATOM 316 N VAL A 144 -8.543 0.091 2.842 1.00 0.00 N ATOM 317 CA VAL A 144 -7.269 -0.252 3.463 1.00 0.00 C ATOM 318 C VAL A 144 -6.457 0.997 3.787 1.00 0.00 C ATOM 319 O VAL A 144 -6.487 1.981 3.048 1.00 0.00 O ATOM 320 CB VAL A 144 -6.429 -1.166 2.548 1.00 0.00 C ATOM 321 CG1 VAL A 144 -5.159 -1.613 3.259 1.00 0.00 C ATOM 322 CG2 VAL A 144 -7.246 -2.368 2.096 1.00 0.00 C ATOM 0 H VAL A 144 -8.543 0.035 1.824 1.00 0.00 H new ATOM 0 HA VAL A 144 -7.502 -0.781 4.387 1.00 0.00 H new ATOM 0 HB VAL A 144 -6.142 -0.597 1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -4.579 -2.257 2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -4.565 -0.739 3.527 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -5.422 -2.163 4.162 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -6.636 -3.001 1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -7.566 -2.939 2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -8.122 -2.026 1.545 1.00 0.00 H new ATOM 332 N ASP A 145 -5.724 0.948 4.895 1.00 0.00 N ATOM 333 CA ASP A 145 -4.891 2.068 5.316 1.00 0.00 C ATOM 334 C ASP A 145 -3.416 1.711 5.172 1.00 0.00 C ATOM 335 O ASP A 145 -2.912 0.837 5.866 1.00 0.00 O ATOM 336 CB ASP A 145 -5.201 2.447 6.765 1.00 0.00 C ATOM 337 CG ASP A 145 -4.501 3.722 7.191 1.00 0.00 C ATOM 338 OD1 ASP A 145 -3.475 4.073 6.570 1.00 0.00 O ATOM 339 OD2 ASP A 145 -4.979 4.371 8.146 1.00 0.00 O ATOM 0 H ASP A 145 -5.690 0.142 5.519 1.00 0.00 H new ATOM 0 HA ASP A 145 -5.110 2.923 4.677 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -6.278 2.570 6.883 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -4.899 1.632 7.423 1.00 0.00 H new ATOM 344 N ILE A 146 -2.730 2.386 4.258 1.00 0.00 N ATOM 345 CA ILE A 146 -1.312 2.126 4.012 1.00 0.00 C ATOM 346 C ILE A 146 -0.510 1.984 5.313 1.00 0.00 C ATOM 347 O ILE A 146 0.538 1.338 5.336 1.00 0.00 O ATOM 348 CB ILE A 146 -0.691 3.236 3.131 1.00 0.00 C ATOM 349 CG1 ILE A 146 0.474 2.674 2.318 1.00 0.00 C ATOM 350 CG2 ILE A 146 -0.237 4.427 3.969 1.00 0.00 C ATOM 351 CD1 ILE A 146 0.093 2.304 0.901 1.00 0.00 C ATOM 0 H ILE A 146 -3.131 3.119 3.673 1.00 0.00 H new ATOM 0 HA ILE A 146 -1.258 1.175 3.483 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.461 3.592 2.446 1.00 0.00 H new ATOM 0 HG12 ILE A 146 1.277 3.411 2.290 1.00 0.00 H new ATOM 0 HG13 ILE A 146 0.868 1.792 2.823 1.00 0.00 H new ATOM 0 HG21 ILE A 146 0.194 5.187 3.317 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -1.092 4.846 4.499 1.00 0.00 H new ATOM 0 HG23 ILE A 146 0.512 4.100 4.690 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.966 1.912 0.380 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.689 1.545 0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -0.273 3.189 0.380 1.00 0.00 H new ATOM 363 N ARG A 147 -1.001 2.600 6.384 1.00 0.00 N ATOM 364 CA ARG A 147 -0.322 2.552 7.678 1.00 0.00 C ATOM 365 C ARG A 147 -0.141 1.121 8.186 1.00 0.00 C ATOM 366 O ARG A 147 0.677 0.874 9.073 1.00 0.00 O ATOM 367 CB ARG A 147 -1.102 3.369 8.710 1.00 0.00 C ATOM 368 CG ARG A 147 -1.168 4.853 8.386 1.00 0.00 C ATOM 369 CD ARG A 147 -0.780 5.706 9.585 1.00 0.00 C ATOM 370 NE ARG A 147 -1.445 7.007 9.570 1.00 0.00 N ATOM 371 CZ ARG A 147 -2.757 7.171 9.721 1.00 0.00 C ATOM 372 NH1 ARG A 147 -3.548 6.119 9.898 1.00 0.00 N ATOM 373 NH2 ARG A 147 -3.281 8.389 9.695 1.00 0.00 N ATOM 0 H ARG A 147 -1.867 3.139 6.383 1.00 0.00 H new ATOM 0 HA ARG A 147 0.671 2.980 7.537 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -2.116 2.976 8.782 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.640 3.239 9.689 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -0.503 5.074 7.551 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -2.177 5.112 8.066 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -1.037 5.178 10.504 1.00 0.00 H new ATOM 0 HD3 ARG A 147 0.300 5.851 9.592 1.00 0.00 H new ATOM 0 HE ARG A 147 -0.870 7.839 9.436 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -3.151 5.180 9.919 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -4.553 6.250 10.013 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -2.678 9.201 9.559 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -4.287 8.514 9.811 1.00 0.00 H new ATOM 387 N LEU A 148 -0.903 0.180 7.635 1.00 0.00 N ATOM 388 CA LEU A 148 -0.811 -1.217 8.058 1.00 0.00 C ATOM 389 C LEU A 148 -0.308 -2.111 6.931 1.00 0.00 C ATOM 390 O LEU A 148 -0.646 -3.293 6.870 1.00 0.00 O ATOM 391 CB LEU A 148 -2.171 -1.724 8.541 1.00 0.00 C ATOM 392 CG LEU A 148 -3.373 -1.115 7.825 1.00 0.00 C ATOM 393 CD1 LEU A 148 -3.468 -1.646 6.405 1.00 0.00 C ATOM 394 CD2 LEU A 148 -4.655 -1.403 8.587 1.00 0.00 C ATOM 0 H LEU A 148 -1.587 0.356 6.899 1.00 0.00 H new ATOM 0 HA LEU A 148 -0.095 -1.260 8.879 1.00 0.00 H new ATOM 0 HB2 LEU A 148 -2.204 -2.807 8.419 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -2.260 -1.521 9.608 1.00 0.00 H new ATOM 0 HG LEU A 148 -3.236 -0.034 7.783 1.00 0.00 H new ATOM 0 HD11 LEU A 148 -4.330 -1.202 5.908 1.00 0.00 H new ATOM 0 HD12 LEU A 148 -2.561 -1.388 5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -3.581 -2.730 6.429 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -5.499 -0.960 8.059 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -4.799 -2.481 8.662 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -4.588 -0.975 9.587 1.00 0.00 H new ATOM 406 N VAL A 149 0.498 -1.548 6.039 1.00 0.00 N ATOM 407 CA VAL A 149 1.034 -2.311 4.921 1.00 0.00 C ATOM 408 C VAL A 149 2.549 -2.158 4.818 1.00 0.00 C ATOM 409 O VAL A 149 3.056 -1.094 4.463 1.00 0.00 O ATOM 410 CB VAL A 149 0.381 -1.888 3.592 1.00 0.00 C ATOM 411 CG1 VAL A 149 0.877 -2.763 2.451 1.00 0.00 C ATOM 412 CG2 VAL A 149 -1.138 -1.951 3.701 1.00 0.00 C ATOM 0 H VAL A 149 0.793 -0.572 6.068 1.00 0.00 H new ATOM 0 HA VAL A 149 0.800 -3.359 5.110 1.00 0.00 H new ATOM 0 HB VAL A 149 0.666 -0.858 3.379 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.405 -2.449 1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 149 1.959 -2.664 2.360 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.624 -3.804 2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -1.584 -1.649 2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -1.444 -2.970 3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -1.474 -1.279 4.491 1.00 0.00 H new ATOM 422 N GLN A 150 3.266 -3.234 5.134 1.00 0.00 N ATOM 423 CA GLN A 150 4.724 -3.229 5.081 1.00 0.00 C ATOM 424 C GLN A 150 5.219 -3.192 3.639 1.00 0.00 C ATOM 425 O GLN A 150 5.561 -4.222 3.060 1.00 0.00 O ATOM 426 CB GLN A 150 5.282 -4.462 5.793 1.00 0.00 C ATOM 427 CG GLN A 150 4.840 -5.772 5.163 1.00 0.00 C ATOM 428 CD GLN A 150 4.279 -6.751 6.177 1.00 0.00 C ATOM 429 OE1 GLN A 150 4.674 -7.914 6.219 1.00 0.00 O ATOM 430 NE2 GLN A 150 3.351 -6.280 7.003 1.00 0.00 N ATOM 0 H GLN A 150 2.859 -4.121 5.430 1.00 0.00 H new ATOM 0 HA GLN A 150 5.078 -2.331 5.588 1.00 0.00 H new ATOM 0 HB2 GLN A 150 6.371 -4.414 5.788 1.00 0.00 H new ATOM 0 HB3 GLN A 150 4.967 -4.444 6.836 1.00 0.00 H new ATOM 0 HG2 GLN A 150 4.084 -5.568 4.404 1.00 0.00 H new ATOM 0 HG3 GLN A 150 5.688 -6.229 4.653 1.00 0.00 H new ATOM 0 HE21 GLN A 150 3.052 -5.307 6.933 1.00 0.00 H new ATOM 0 HE22 GLN A 150 2.937 -6.891 7.707 1.00 0.00 H new ATOM 439 N GLY A 151 5.254 -1.996 3.065 1.00 0.00 N ATOM 440 CA GLY A 151 5.709 -1.836 1.696 1.00 0.00 C ATOM 441 C GLY A 151 7.079 -2.444 1.457 1.00 0.00 C ATOM 442 O GLY A 151 7.949 -2.387 2.325 1.00 0.00 O ATOM 0 H GLY A 151 4.974 -1.130 3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.988 -2.299 1.022 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.740 -0.775 1.450 1.00 0.00 H new ATOM 446 N THR A 152 7.270 -3.041 0.280 1.00 0.00 N ATOM 447 CA THR A 152 8.546 -3.672 -0.055 1.00 0.00 C ATOM 448 C THR A 152 9.215 -3.020 -1.268 1.00 0.00 C ATOM 449 O THR A 152 10.424 -3.157 -1.461 1.00 0.00 O ATOM 450 CB THR A 152 8.338 -5.163 -0.323 1.00 0.00 C ATOM 451 OG1 THR A 152 7.461 -5.358 -1.418 1.00 0.00 O ATOM 452 CG2 THR A 152 7.765 -5.910 0.863 1.00 0.00 C ATOM 0 H THR A 152 6.563 -3.101 -0.452 1.00 0.00 H new ATOM 0 HA THR A 152 9.208 -3.536 0.800 1.00 0.00 H new ATOM 0 HB THR A 152 9.331 -5.559 -0.537 1.00 0.00 H new ATOM 0 HG1 THR A 152 7.342 -6.318 -1.575 1.00 0.00 H new ATOM 0 HG21 THR A 152 7.642 -6.962 0.606 1.00 0.00 H new ATOM 0 HG22 THR A 152 8.443 -5.821 1.712 1.00 0.00 H new ATOM 0 HG23 THR A 152 6.796 -5.486 1.127 1.00 0.00 H new ATOM 460 N GLY A 153 8.432 -2.328 -2.090 1.00 0.00 N ATOM 461 CA GLY A 153 8.979 -1.692 -3.276 1.00 0.00 C ATOM 462 C GLY A 153 10.047 -0.658 -2.970 1.00 0.00 C ATOM 463 O GLY A 153 10.056 -0.058 -1.898 1.00 0.00 O ATOM 0 H GLY A 153 7.429 -2.196 -1.957 1.00 0.00 H new ATOM 0 HA2 GLY A 153 9.401 -2.457 -3.927 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.170 -1.215 -3.829 1.00 0.00 H new ATOM 467 N LYS A 154 10.945 -0.451 -3.930 1.00 0.00 N ATOM 468 CA LYS A 154 12.029 0.519 -3.794 1.00 0.00 C ATOM 469 C LYS A 154 12.763 0.378 -2.453 1.00 0.00 C ATOM 470 O LYS A 154 13.558 -0.545 -2.274 1.00 0.00 O ATOM 471 CB LYS A 154 11.489 1.941 -3.976 1.00 0.00 C ATOM 472 CG LYS A 154 10.934 2.208 -5.365 1.00 0.00 C ATOM 473 CD LYS A 154 12.030 2.632 -6.329 1.00 0.00 C ATOM 474 CE LYS A 154 12.862 1.444 -6.782 1.00 0.00 C ATOM 475 NZ LYS A 154 13.333 1.598 -8.187 1.00 0.00 N ATOM 0 H LYS A 154 10.942 -0.948 -4.820 1.00 0.00 H new ATOM 0 HA LYS A 154 12.759 0.315 -4.577 1.00 0.00 H new ATOM 0 HB2 LYS A 154 10.705 2.120 -3.240 1.00 0.00 H new ATOM 0 HB3 LYS A 154 12.288 2.653 -3.770 1.00 0.00 H new ATOM 0 HG2 LYS A 154 10.444 1.310 -5.741 1.00 0.00 H new ATOM 0 HG3 LYS A 154 10.174 2.987 -5.311 1.00 0.00 H new ATOM 0 HD2 LYS A 154 11.585 3.118 -7.197 1.00 0.00 H new ATOM 0 HD3 LYS A 154 12.675 3.367 -5.848 1.00 0.00 H new ATOM 0 HE2 LYS A 154 13.722 1.330 -6.122 1.00 0.00 H new ATOM 0 HE3 LYS A 154 12.270 0.533 -6.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 13.897 0.767 -8.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 12.513 1.681 -8.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 13.919 2.454 -8.265 1.00 0.00 H new ATOM 489 N ASN A 155 12.510 1.298 -1.519 1.00 0.00 N ATOM 490 CA ASN A 155 13.169 1.263 -0.217 1.00 0.00 C ATOM 491 C ASN A 155 12.219 0.783 0.876 1.00 0.00 C ATOM 492 O ASN A 155 12.346 1.174 2.036 1.00 0.00 O ATOM 493 CB ASN A 155 13.708 2.650 0.140 1.00 0.00 C ATOM 494 CG ASN A 155 12.617 3.702 0.170 1.00 0.00 C ATOM 495 OD1 ASN A 155 11.669 3.609 0.950 1.00 0.00 O ATOM 496 ND2 ASN A 155 12.744 4.713 -0.683 1.00 0.00 N ATOM 0 H ASN A 155 11.857 2.072 -1.642 1.00 0.00 H new ATOM 0 HA ASN A 155 13.997 0.557 -0.283 1.00 0.00 H new ATOM 0 HB2 ASN A 155 14.196 2.608 1.114 1.00 0.00 H new ATOM 0 HB3 ASN A 155 14.469 2.939 -0.585 1.00 0.00 H new ATOM 0 HD21 ASN A 155 12.040 5.451 -0.708 1.00 0.00 H new ATOM 0 HD22 ASN A 155 13.546 4.752 -1.312 1.00 0.00 H new ATOM 503 N GLY A 156 11.270 -0.065 0.500 1.00 0.00 N ATOM 504 CA GLY A 156 10.319 -0.583 1.466 1.00 0.00 C ATOM 505 C GLY A 156 8.975 0.116 1.399 1.00 0.00 C ATOM 506 O GLY A 156 8.200 0.071 2.354 1.00 0.00 O ATOM 0 H GLY A 156 11.142 -0.403 -0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 156 10.178 -1.650 1.294 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.731 -0.474 2.469 1.00 0.00 H new ATOM 510 N ARG A 157 8.692 0.758 0.270 1.00 0.00 N ATOM 511 CA ARG A 157 7.426 1.457 0.094 1.00 0.00 C ATOM 512 C ARG A 157 6.350 0.493 -0.396 1.00 0.00 C ATOM 513 O ARG A 157 6.656 -0.531 -1.008 1.00 0.00 O ATOM 514 CB ARG A 157 7.582 2.620 -0.889 1.00 0.00 C ATOM 515 CG ARG A 157 7.979 2.188 -2.291 1.00 0.00 C ATOM 516 CD ARG A 157 7.853 3.335 -3.281 1.00 0.00 C ATOM 517 NE ARG A 157 7.761 2.862 -4.660 1.00 0.00 N ATOM 518 CZ ARG A 157 7.828 3.661 -5.723 1.00 0.00 C ATOM 519 NH1 ARG A 157 7.995 4.969 -5.570 1.00 0.00 N ATOM 520 NH2 ARG A 157 7.732 3.150 -6.943 1.00 0.00 N ATOM 0 H ARG A 157 9.320 0.808 -0.533 1.00 0.00 H new ATOM 0 HA ARG A 157 7.122 1.860 1.060 1.00 0.00 H new ATOM 0 HB2 ARG A 157 6.642 3.169 -0.940 1.00 0.00 H new ATOM 0 HB3 ARG A 157 8.333 3.310 -0.505 1.00 0.00 H new ATOM 0 HG2 ARG A 157 9.006 1.823 -2.284 1.00 0.00 H new ATOM 0 HG3 ARG A 157 7.348 1.359 -2.610 1.00 0.00 H new ATOM 0 HD2 ARG A 157 6.969 3.925 -3.041 1.00 0.00 H new ATOM 0 HD3 ARG A 157 8.714 3.996 -3.181 1.00 0.00 H new ATOM 0 HE ARG A 157 7.638 1.862 -4.818 1.00 0.00 H new ATOM 0 HH11 ARG A 157 8.073 5.367 -4.634 1.00 0.00 H new ATOM 0 HH12 ARG A 157 8.046 5.576 -6.388 1.00 0.00 H new ATOM 0 HH21 ARG A 157 7.607 2.145 -7.067 1.00 0.00 H new ATOM 0 HH22 ARG A 157 7.783 3.762 -7.758 1.00 0.00 H new ATOM 534 N VAL A 158 5.092 0.813 -0.104 1.00 0.00 N ATOM 535 CA VAL A 158 3.973 -0.033 -0.500 1.00 0.00 C ATOM 536 C VAL A 158 3.587 0.197 -1.959 1.00 0.00 C ATOM 537 O VAL A 158 3.468 1.336 -2.409 1.00 0.00 O ATOM 538 CB VAL A 158 2.743 0.221 0.390 1.00 0.00 C ATOM 539 CG1 VAL A 158 1.647 -0.789 0.091 1.00 0.00 C ATOM 540 CG2 VAL A 158 3.131 0.178 1.861 1.00 0.00 C ATOM 0 H VAL A 158 4.823 1.654 0.407 1.00 0.00 H new ATOM 0 HA VAL A 158 4.300 -1.065 -0.378 1.00 0.00 H new ATOM 0 HB VAL A 158 2.357 1.216 0.168 1.00 0.00 H new ATOM 0 HG11 VAL A 158 0.787 -0.592 0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 158 1.349 -0.704 -0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 158 2.018 -1.796 0.282 1.00 0.00 H new ATOM 0 HG21 VAL A 158 2.249 0.360 2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 158 3.544 -0.802 2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 158 3.878 0.946 2.063 1.00 0.00 H new ATOM 550 N LEU A 159 3.388 -0.897 -2.693 1.00 0.00 N ATOM 551 CA LEU A 159 3.010 -0.814 -4.103 1.00 0.00 C ATOM 552 C LEU A 159 1.659 -1.478 -4.341 1.00 0.00 C ATOM 553 O LEU A 159 1.126 -2.159 -3.463 1.00 0.00 O ATOM 554 CB LEU A 159 4.071 -1.471 -4.997 1.00 0.00 C ATOM 555 CG LEU A 159 5.495 -1.475 -4.437 1.00 0.00 C ATOM 556 CD1 LEU A 159 5.888 -0.082 -3.969 1.00 0.00 C ATOM 557 CD2 LEU A 159 5.609 -2.483 -3.305 1.00 0.00 C ATOM 0 H LEU A 159 3.482 -1.848 -2.336 1.00 0.00 H new ATOM 0 HA LEU A 159 2.937 0.242 -4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 159 3.772 -2.502 -5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 159 4.079 -0.958 -5.958 1.00 0.00 H new ATOM 0 HG LEU A 159 6.184 -1.769 -5.229 1.00 0.00 H new ATOM 0 HD11 LEU A 159 6.904 -0.104 -3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 159 5.840 0.611 -4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 159 5.202 0.247 -3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 159 6.626 -2.477 -2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 159 4.913 -2.217 -2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 159 5.369 -3.478 -3.679 1.00 0.00 H new ATOM 569 N LYS A 160 1.113 -1.284 -5.538 1.00 0.00 N ATOM 570 CA LYS A 160 -0.173 -1.874 -5.895 1.00 0.00 C ATOM 571 C LYS A 160 -0.167 -3.375 -5.622 1.00 0.00 C ATOM 572 O LYS A 160 -1.198 -3.963 -5.297 1.00 0.00 O ATOM 573 CB LYS A 160 -0.491 -1.612 -7.369 1.00 0.00 C ATOM 574 CG LYS A 160 -1.828 -2.182 -7.813 1.00 0.00 C ATOM 575 CD LYS A 160 -2.574 -1.215 -8.719 1.00 0.00 C ATOM 576 CE LYS A 160 -2.329 -1.526 -10.186 1.00 0.00 C ATOM 577 NZ LYS A 160 -2.685 -2.931 -10.524 1.00 0.00 N ATOM 0 H LYS A 160 1.540 -0.724 -6.276 1.00 0.00 H new ATOM 0 HA LYS A 160 -0.944 -1.409 -5.281 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -0.486 -0.537 -7.548 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.300 -2.041 -7.985 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -1.667 -3.123 -8.338 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.438 -2.406 -6.938 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -3.642 -1.267 -8.508 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -2.256 -0.195 -8.504 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -2.914 -0.845 -10.804 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -1.280 -1.350 -10.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -3.298 -2.941 -11.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -1.818 -3.471 -10.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -3.188 -3.364 -9.723 1.00 0.00 H new ATOM 591 N GLU A 161 1.009 -3.983 -5.747 1.00 0.00 N ATOM 592 CA GLU A 161 1.161 -5.410 -5.504 1.00 0.00 C ATOM 593 C GLU A 161 0.982 -5.719 -4.022 1.00 0.00 C ATOM 594 O GLU A 161 0.364 -6.718 -3.654 1.00 0.00 O ATOM 595 CB GLU A 161 2.539 -5.884 -5.973 1.00 0.00 C ATOM 596 CG GLU A 161 2.757 -5.739 -7.470 1.00 0.00 C ATOM 597 CD GLU A 161 4.225 -5.677 -7.842 1.00 0.00 C ATOM 598 OE1 GLU A 161 4.848 -4.616 -7.628 1.00 0.00 O ATOM 599 OE2 GLU A 161 4.751 -6.690 -8.349 1.00 0.00 O ATOM 0 H GLU A 161 1.870 -3.507 -6.016 1.00 0.00 H new ATOM 0 HA GLU A 161 0.394 -5.940 -6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 161 3.307 -5.318 -5.446 1.00 0.00 H new ATOM 0 HB3 GLU A 161 2.668 -6.930 -5.696 1.00 0.00 H new ATOM 0 HG2 GLU A 161 2.291 -6.579 -7.984 1.00 0.00 H new ATOM 0 HG3 GLU A 161 2.259 -4.835 -7.820 1.00 0.00 H new ATOM 606 N ASP A 162 1.525 -4.849 -3.177 1.00 0.00 N ATOM 607 CA ASP A 162 1.424 -5.024 -1.734 1.00 0.00 C ATOM 608 C ASP A 162 -0.025 -4.938 -1.281 1.00 0.00 C ATOM 609 O ASP A 162 -0.518 -5.818 -0.576 1.00 0.00 O ATOM 610 CB ASP A 162 2.256 -3.968 -1.006 1.00 0.00 C ATOM 611 CG ASP A 162 3.742 -4.117 -1.264 1.00 0.00 C ATOM 612 OD1 ASP A 162 4.155 -5.183 -1.765 1.00 0.00 O ATOM 613 OD2 ASP A 162 4.492 -3.165 -0.963 1.00 0.00 O ATOM 0 H ASP A 162 2.039 -4.017 -3.467 1.00 0.00 H new ATOM 0 HA ASP A 162 1.811 -6.013 -1.487 1.00 0.00 H new ATOM 0 HB2 ASP A 162 1.934 -2.976 -1.322 1.00 0.00 H new ATOM 0 HB3 ASP A 162 2.068 -4.038 0.065 1.00 0.00 H new ATOM 618 N ILE A 163 -0.710 -3.878 -1.697 1.00 0.00 N ATOM 619 CA ILE A 163 -2.107 -3.695 -1.334 1.00 0.00 C ATOM 620 C ILE A 163 -2.942 -4.866 -1.835 1.00 0.00 C ATOM 621 O ILE A 163 -3.673 -5.493 -1.070 1.00 0.00 O ATOM 622 CB ILE A 163 -2.681 -2.382 -1.902 1.00 0.00 C ATOM 623 CG1 ILE A 163 -1.789 -1.201 -1.517 1.00 0.00 C ATOM 624 CG2 ILE A 163 -4.101 -2.164 -1.399 1.00 0.00 C ATOM 625 CD1 ILE A 163 -1.627 -1.028 -0.022 1.00 0.00 C ATOM 0 H ILE A 163 -0.322 -3.138 -2.282 1.00 0.00 H new ATOM 0 HA ILE A 163 -2.152 -3.646 -0.246 1.00 0.00 H new ATOM 0 HB ILE A 163 -2.707 -2.455 -2.989 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -0.806 -1.337 -1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -2.209 -0.287 -1.937 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -4.493 -1.233 -1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -4.731 -2.994 -1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -4.097 -2.108 -0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -0.982 -0.172 0.177 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -2.603 -0.861 0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -1.179 -1.927 0.402 1.00 0.00 H new ATOM 637 N ASP A 164 -2.811 -5.169 -3.124 1.00 0.00 N ATOM 638 CA ASP A 164 -3.543 -6.278 -3.725 1.00 0.00 C ATOM 639 C ASP A 164 -3.286 -7.565 -2.951 1.00 0.00 C ATOM 640 O ASP A 164 -4.169 -8.414 -2.820 1.00 0.00 O ATOM 641 CB ASP A 164 -3.133 -6.455 -5.188 1.00 0.00 C ATOM 642 CG ASP A 164 -3.671 -5.351 -6.078 1.00 0.00 C ATOM 643 OD1 ASP A 164 -4.762 -4.824 -5.774 1.00 0.00 O ATOM 644 OD2 ASP A 164 -3.002 -5.014 -7.077 1.00 0.00 O ATOM 0 H ASP A 164 -2.206 -4.663 -3.770 1.00 0.00 H new ATOM 0 HA ASP A 164 -4.608 -6.051 -3.684 1.00 0.00 H new ATOM 0 HB2 ASP A 164 -2.045 -6.476 -5.257 1.00 0.00 H new ATOM 0 HB3 ASP A 164 -3.494 -7.418 -5.550 1.00 0.00 H new ATOM 649 N ALA A 165 -2.072 -7.694 -2.424 1.00 0.00 N ATOM 650 CA ALA A 165 -1.699 -8.868 -1.647 1.00 0.00 C ATOM 651 C ALA A 165 -2.280 -8.776 -0.244 1.00 0.00 C ATOM 652 O ALA A 165 -2.609 -9.789 0.375 1.00 0.00 O ATOM 653 CB ALA A 165 -0.185 -9.007 -1.591 1.00 0.00 C ATOM 0 H ALA A 165 -1.331 -7.000 -2.522 1.00 0.00 H new ATOM 0 HA ALA A 165 -2.107 -9.754 -2.133 1.00 0.00 H new ATOM 0 HB1 ALA A 165 0.078 -9.889 -1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 165 0.208 -9.111 -2.602 1.00 0.00 H new ATOM 0 HB3 ALA A 165 0.245 -8.121 -1.124 1.00 0.00 H new ATOM 659 N PHE A 166 -2.412 -7.548 0.248 1.00 0.00 N ATOM 660 CA PHE A 166 -2.962 -7.306 1.571 1.00 0.00 C ATOM 661 C PHE A 166 -4.419 -7.752 1.637 1.00 0.00 C ATOM 662 O PHE A 166 -4.872 -8.283 2.651 1.00 0.00 O ATOM 663 CB PHE A 166 -2.856 -5.820 1.916 1.00 0.00 C ATOM 664 CG PHE A 166 -3.369 -5.487 3.285 1.00 0.00 C ATOM 665 CD1 PHE A 166 -4.731 -5.404 3.526 1.00 0.00 C ATOM 666 CD2 PHE A 166 -2.490 -5.264 4.330 1.00 0.00 C ATOM 667 CE1 PHE A 166 -5.205 -5.104 4.788 1.00 0.00 C ATOM 668 CE2 PHE A 166 -2.957 -4.962 5.593 1.00 0.00 C ATOM 669 CZ PHE A 166 -4.318 -4.882 5.823 1.00 0.00 C ATOM 0 H PHE A 166 -2.143 -6.703 -0.256 1.00 0.00 H new ATOM 0 HA PHE A 166 -2.389 -7.885 2.295 1.00 0.00 H new ATOM 0 HB2 PHE A 166 -1.813 -5.511 1.842 1.00 0.00 H new ATOM 0 HB3 PHE A 166 -3.412 -5.243 1.178 1.00 0.00 H new ATOM 0 HD1 PHE A 166 -5.428 -5.576 2.719 1.00 0.00 H new ATOM 0 HD2 PHE A 166 -1.426 -5.327 4.155 1.00 0.00 H new ATOM 0 HE1 PHE A 166 -6.269 -5.043 4.965 1.00 0.00 H new ATOM 0 HE2 PHE A 166 -2.261 -4.788 6.400 1.00 0.00 H new ATOM 0 HZ PHE A 166 -4.687 -4.646 6.810 1.00 0.00 H new ATOM 679 N LEU A 167 -5.146 -7.529 0.547 1.00 0.00 N ATOM 680 CA LEU A 167 -6.549 -7.899 0.470 1.00 0.00 C ATOM 681 C LEU A 167 -6.710 -9.327 -0.043 1.00 0.00 C ATOM 682 O LEU A 167 -7.698 -9.997 0.257 1.00 0.00 O ATOM 683 CB LEU A 167 -7.289 -6.928 -0.448 1.00 0.00 C ATOM 684 CG LEU A 167 -7.428 -5.499 0.084 1.00 0.00 C ATOM 685 CD1 LEU A 167 -7.994 -5.498 1.497 1.00 0.00 C ATOM 686 CD2 LEU A 167 -6.086 -4.783 0.036 1.00 0.00 C ATOM 0 H LEU A 167 -4.781 -7.091 -0.299 1.00 0.00 H new ATOM 0 HA LEU A 167 -6.975 -7.847 1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -6.770 -6.892 -1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -8.286 -7.325 -0.641 1.00 0.00 H new ATOM 0 HG LEU A 167 -8.128 -4.961 -0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -8.083 -4.471 1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -8.977 -5.968 1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -7.327 -6.054 2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -6.201 -3.768 0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -5.364 -5.322 0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -5.730 -4.745 -0.994 1.00 0.00 H new ATOM 698 N ALA A 168 -5.733 -9.789 -0.821 1.00 0.00 N ATOM 699 CA ALA A 168 -5.772 -11.137 -1.377 1.00 0.00 C ATOM 700 C ALA A 168 -5.048 -12.132 -0.474 1.00 0.00 C ATOM 701 O ALA A 168 -4.479 -13.115 -0.951 1.00 0.00 O ATOM 702 CB ALA A 168 -5.161 -11.148 -2.770 1.00 0.00 C ATOM 0 H ALA A 168 -4.907 -9.250 -1.079 1.00 0.00 H new ATOM 0 HA ALA A 168 -6.816 -11.443 -1.443 1.00 0.00 H new ATOM 0 HB1 ALA A 168 -5.196 -12.160 -3.175 1.00 0.00 H new ATOM 0 HB2 ALA A 168 -5.724 -10.478 -3.420 1.00 0.00 H new ATOM 0 HB3 ALA A 168 -4.125 -10.815 -2.715 1.00 0.00 H new