USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 325 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 SER OG : rot 180:sc= 0 USER MOD Single : A 142 HIS : no HE2:sc= -3.03 K(o=-3,f=-5.4!) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot -40:sc= 1.01 USER MOD Single : A 159 THR OG1 : rot 25:sc= 0.553 USER MOD Single : A 165 LYS NZ :NH3+ -125:sc= 0 (180deg=-1.21) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ALA A 130 -7.175 5.775 -3.978 1.00 0.00 N ATOM 61 CA ALA A 130 -6.533 4.467 -3.951 1.00 0.00 C ATOM 62 C ALA A 130 -5.476 4.396 -2.858 1.00 0.00 C ATOM 63 O ALA A 130 -5.622 3.661 -1.882 1.00 0.00 O ATOM 64 CB ALA A 130 -5.916 4.155 -5.306 1.00 0.00 C ATOM 0 HA ALA A 130 -7.296 3.720 -3.730 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -5.440 3.175 -5.272 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -6.695 4.154 -6.069 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -5.171 4.912 -5.550 1.00 0.00 H new ATOM 70 N LEU A 131 -4.412 5.167 -3.030 1.00 0.00 N ATOM 71 CA LEU A 131 -3.323 5.200 -2.061 1.00 0.00 C ATOM 72 C LEU A 131 -3.557 6.287 -1.017 1.00 0.00 C ATOM 73 O LEU A 131 -4.400 7.165 -1.197 1.00 0.00 O ATOM 74 CB LEU A 131 -1.987 5.433 -2.771 1.00 0.00 C ATOM 75 CG LEU A 131 -1.230 4.163 -3.159 1.00 0.00 C ATOM 76 CD1 LEU A 131 -0.740 3.434 -1.917 1.00 0.00 C ATOM 77 CD2 LEU A 131 -2.114 3.253 -4.000 1.00 0.00 C ATOM 0 H LEU A 131 -4.278 5.780 -3.834 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.291 4.236 -1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -2.169 6.019 -3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.349 6.034 -2.124 1.00 0.00 H new ATOM 0 HG LEU A 131 -0.362 4.446 -3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -0.203 2.532 -2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.073 4.085 -1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.593 3.161 -1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -1.560 2.353 -4.268 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -3.000 2.977 -3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -2.416 3.776 -4.907 1.00 0.00 H new ATOM 89 N SER A 132 -2.803 6.222 0.077 1.00 0.00 N ATOM 90 CA SER A 132 -2.927 7.200 1.152 1.00 0.00 C ATOM 91 C SER A 132 -1.685 8.084 1.231 1.00 0.00 C ATOM 92 O SER A 132 -0.637 7.747 0.678 1.00 0.00 O ATOM 93 CB SER A 132 -3.149 6.491 2.489 1.00 0.00 C ATOM 94 OG SER A 132 -4.531 6.327 2.756 1.00 0.00 O ATOM 0 H SER A 132 -2.100 5.502 0.242 1.00 0.00 H new ATOM 0 HA SER A 132 -3.787 7.834 0.936 1.00 0.00 H new ATOM 0 HB2 SER A 132 -2.660 5.517 2.473 1.00 0.00 H new ATOM 0 HB3 SER A 132 -2.686 7.067 3.291 1.00 0.00 H new ATOM 0 HG SER A 132 -4.646 5.870 3.615 1.00 0.00 H new ATOM 100 N PRO A 133 -1.785 9.232 1.923 1.00 0.00 N ATOM 101 CA PRO A 133 -0.662 10.165 2.072 1.00 0.00 C ATOM 102 C PRO A 133 0.517 9.538 2.809 1.00 0.00 C ATOM 103 O PRO A 133 1.637 9.509 2.298 1.00 0.00 O ATOM 104 CB PRO A 133 -1.252 11.322 2.887 1.00 0.00 C ATOM 105 CG PRO A 133 -2.462 10.757 3.548 1.00 0.00 C ATOM 106 CD PRO A 133 -2.994 9.710 2.612 1.00 0.00 C ATOM 0 HA PRO A 133 -0.263 10.474 1.106 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.537 11.690 3.623 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -1.511 12.164 2.245 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -2.211 10.324 4.516 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -3.206 11.533 3.729 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -3.496 8.906 3.150 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.719 10.126 1.912 1.00 0.00 H new ATOM 114 N ALA A 134 0.259 9.038 4.014 1.00 0.00 N ATOM 115 CA ALA A 134 1.298 8.413 4.819 1.00 0.00 C ATOM 116 C ALA A 134 1.823 7.147 4.150 1.00 0.00 C ATOM 117 O ALA A 134 3.035 6.945 4.033 1.00 0.00 O ATOM 118 CB ALA A 134 0.769 8.094 6.210 1.00 0.00 C ATOM 0 H ALA A 134 -0.662 9.055 4.453 1.00 0.00 H new ATOM 0 HA ALA A 134 2.125 9.117 4.909 1.00 0.00 H new ATOM 0 HB1 ALA A 134 1.557 7.627 6.801 1.00 0.00 H new ATOM 0 HB2 ALA A 134 0.448 9.015 6.697 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -0.077 7.412 6.130 1.00 0.00 H new ATOM 124 N ILE A 135 0.905 6.294 3.705 1.00 0.00 N ATOM 125 CA ILE A 135 1.290 5.055 3.048 1.00 0.00 C ATOM 126 C ILE A 135 2.178 5.334 1.847 1.00 0.00 C ATOM 127 O ILE A 135 3.192 4.675 1.661 1.00 0.00 O ATOM 128 CB ILE A 135 0.072 4.233 2.589 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.830 3.910 3.781 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.533 2.952 1.898 1.00 0.00 C ATOM 131 CD1 ILE A 135 -2.051 3.097 3.414 1.00 0.00 C ATOM 0 H ILE A 135 -0.101 6.438 3.787 1.00 0.00 H new ATOM 0 HA ILE A 135 1.838 4.472 3.788 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.503 4.823 1.875 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -0.251 3.364 4.526 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -1.151 4.842 4.246 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.337 2.378 1.577 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.141 3.206 1.029 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.125 2.356 2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.643 2.906 4.309 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -2.652 3.649 2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.739 2.149 2.976 1.00 0.00 H new ATOM 143 N ARG A 136 1.798 6.314 1.032 1.00 0.00 N ATOM 144 CA ARG A 136 2.588 6.658 -0.145 1.00 0.00 C ATOM 145 C ARG A 136 4.049 6.832 0.244 1.00 0.00 C ATOM 146 O ARG A 136 4.955 6.474 -0.509 1.00 0.00 O ATOM 147 CB ARG A 136 2.055 7.933 -0.802 1.00 0.00 C ATOM 148 CG ARG A 136 1.087 7.668 -1.944 1.00 0.00 C ATOM 149 CD ARG A 136 1.743 7.888 -3.299 1.00 0.00 C ATOM 150 NE ARG A 136 1.649 6.705 -4.151 1.00 0.00 N ATOM 151 CZ ARG A 136 2.448 5.646 -4.040 1.00 0.00 C ATOM 152 NH1 ARG A 136 3.396 5.617 -3.112 1.00 0.00 N ATOM 153 NH2 ARG A 136 2.298 4.614 -4.858 1.00 0.00 N ATOM 0 H ARG A 136 0.958 6.878 1.163 1.00 0.00 H new ATOM 0 HA ARG A 136 2.508 5.846 -0.867 1.00 0.00 H new ATOM 0 HB2 ARG A 136 1.556 8.540 -0.047 1.00 0.00 H new ATOM 0 HB3 ARG A 136 2.895 8.518 -1.177 1.00 0.00 H new ATOM 0 HG2 ARG A 136 0.719 6.644 -1.879 1.00 0.00 H new ATOM 0 HG3 ARG A 136 0.222 8.324 -1.848 1.00 0.00 H new ATOM 0 HD2 ARG A 136 1.269 8.733 -3.798 1.00 0.00 H new ATOM 0 HD3 ARG A 136 2.791 8.149 -3.156 1.00 0.00 H new ATOM 0 HE ARG A 136 0.929 6.690 -4.873 1.00 0.00 H new ATOM 0 HH11 ARG A 136 3.515 6.408 -2.480 1.00 0.00 H new ATOM 0 HH12 ARG A 136 4.006 4.803 -3.031 1.00 0.00 H new ATOM 0 HH21 ARG A 136 1.570 4.631 -5.573 1.00 0.00 H new ATOM 0 HH22 ARG A 136 2.910 3.803 -4.773 1.00 0.00 H new ATOM 167 N ARG A 137 4.267 7.352 1.446 1.00 0.00 N ATOM 168 CA ARG A 137 5.611 7.535 1.958 1.00 0.00 C ATOM 169 C ARG A 137 6.204 6.175 2.291 1.00 0.00 C ATOM 170 O ARG A 137 7.367 5.897 2.001 1.00 0.00 O ATOM 171 CB ARG A 137 5.595 8.424 3.202 1.00 0.00 C ATOM 172 CG ARG A 137 6.954 9.009 3.553 1.00 0.00 C ATOM 173 CD ARG A 137 6.922 9.733 4.890 1.00 0.00 C ATOM 174 NE ARG A 137 7.666 10.989 4.850 1.00 0.00 N ATOM 175 CZ ARG A 137 8.993 11.068 4.927 1.00 0.00 C ATOM 176 NH1 ARG A 137 9.724 9.967 5.048 1.00 0.00 N ATOM 177 NH2 ARG A 137 9.591 12.251 4.883 1.00 0.00 N ATOM 0 H ARG A 137 3.528 7.653 2.081 1.00 0.00 H new ATOM 0 HA ARG A 137 6.222 8.025 1.200 1.00 0.00 H new ATOM 0 HB2 ARG A 137 4.888 9.239 3.046 1.00 0.00 H new ATOM 0 HB3 ARG A 137 5.230 7.842 4.049 1.00 0.00 H new ATOM 0 HG2 ARG A 137 7.696 8.212 3.588 1.00 0.00 H new ATOM 0 HG3 ARG A 137 7.266 9.701 2.771 1.00 0.00 H new ATOM 0 HD2 ARG A 137 5.888 9.933 5.169 1.00 0.00 H new ATOM 0 HD3 ARG A 137 7.341 9.088 5.662 1.00 0.00 H new ATOM 0 HE ARG A 137 7.138 11.857 4.758 1.00 0.00 H new ATOM 0 HH11 ARG A 137 9.270 9.054 5.082 1.00 0.00 H new ATOM 0 HH12 ARG A 137 10.740 10.033 5.107 1.00 0.00 H new ATOM 0 HH21 ARG A 137 9.034 13.101 4.790 1.00 0.00 H new ATOM 0 HH22 ARG A 137 10.608 12.311 4.942 1.00 0.00 H new ATOM 191 N LEU A 138 5.377 5.322 2.893 1.00 0.00 N ATOM 192 CA LEU A 138 5.803 3.977 3.258 1.00 0.00 C ATOM 193 C LEU A 138 6.188 3.177 2.016 1.00 0.00 C ATOM 194 O LEU A 138 7.288 2.632 1.936 1.00 0.00 O ATOM 195 CB LEU A 138 4.691 3.251 4.018 1.00 0.00 C ATOM 196 CG LEU A 138 5.040 1.828 4.464 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.216 1.846 5.427 1.00 0.00 C ATOM 198 CD2 LEU A 138 3.835 1.158 5.104 1.00 0.00 C ATOM 0 H LEU A 138 4.411 5.540 3.137 1.00 0.00 H new ATOM 0 HA LEU A 138 6.677 4.063 3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 138 4.429 3.838 4.898 1.00 0.00 H new ATOM 0 HB3 LEU A 138 3.804 3.211 3.385 1.00 0.00 H new ATOM 0 HG LEU A 138 5.325 1.251 3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 138 6.451 0.827 5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.083 2.285 4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 138 5.959 2.439 6.305 1.00 0.00 H new ATOM 0 HD21 LEU A 138 4.102 0.148 5.414 1.00 0.00 H new ATOM 0 HD22 LEU A 138 3.518 1.733 5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 138 3.019 1.112 4.383 1.00 0.00 H new ATOM 210 N LEU A 139 5.283 3.121 1.039 1.00 0.00 N ATOM 211 CA LEU A 139 5.544 2.399 -0.199 1.00 0.00 C ATOM 212 C LEU A 139 6.770 2.979 -0.882 1.00 0.00 C ATOM 213 O LEU A 139 7.576 2.255 -1.467 1.00 0.00 O ATOM 214 CB LEU A 139 4.333 2.478 -1.131 1.00 0.00 C ATOM 215 CG LEU A 139 3.249 1.430 -0.875 1.00 0.00 C ATOM 216 CD1 LEU A 139 1.950 1.827 -1.558 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.708 0.061 -1.354 1.00 0.00 C ATOM 0 H LEU A 139 4.367 3.566 1.084 1.00 0.00 H new ATOM 0 HA LEU A 139 5.728 1.351 0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 139 3.888 3.469 -1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.678 2.377 -2.160 1.00 0.00 H new ATOM 0 HG LEU A 139 3.069 1.376 0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.191 1.069 -1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.612 2.787 -1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 139 2.114 1.910 -2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.924 -0.673 -1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.916 0.101 -2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.613 -0.227 -0.818 1.00 0.00 H new ATOM 229 N ALA A 140 6.909 4.295 -0.782 1.00 0.00 N ATOM 230 CA ALA A 140 8.047 4.986 -1.369 1.00 0.00 C ATOM 231 C ALA A 140 9.339 4.539 -0.696 1.00 0.00 C ATOM 232 O ALA A 140 10.391 4.463 -1.331 1.00 0.00 O ATOM 233 CB ALA A 140 7.875 6.493 -1.246 1.00 0.00 C ATOM 0 H ALA A 140 6.248 4.904 -0.300 1.00 0.00 H new ATOM 0 HA ALA A 140 8.101 4.732 -2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 140 8.735 6.995 -1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 140 6.968 6.799 -1.766 1.00 0.00 H new ATOM 0 HB3 ALA A 140 7.799 6.766 -0.193 1.00 0.00 H new ATOM 239 N GLU A 141 9.246 4.238 0.597 1.00 0.00 N ATOM 240 CA GLU A 141 10.398 3.789 1.368 1.00 0.00 C ATOM 241 C GLU A 141 10.774 2.361 0.995 1.00 0.00 C ATOM 242 O GLU A 141 11.936 2.061 0.725 1.00 0.00 O ATOM 243 CB GLU A 141 10.099 3.872 2.865 1.00 0.00 C ATOM 244 CG GLU A 141 10.148 5.287 3.418 1.00 0.00 C ATOM 245 CD GLU A 141 9.848 5.344 4.903 1.00 0.00 C ATOM 246 OE1 GLU A 141 9.254 4.378 5.426 1.00 0.00 O ATOM 247 OE2 GLU A 141 10.209 6.354 5.543 1.00 0.00 O ATOM 0 H GLU A 141 8.380 4.298 1.133 1.00 0.00 H new ATOM 0 HA GLU A 141 11.238 4.443 1.135 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.111 3.451 3.054 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.817 3.255 3.405 1.00 0.00 H new ATOM 0 HG2 GLU A 141 11.135 5.711 3.234 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.430 5.908 2.882 1.00 0.00 H new ATOM 254 N HIS A 142 9.777 1.486 0.981 1.00 0.00 N ATOM 255 CA HIS A 142 9.990 0.084 0.639 1.00 0.00 C ATOM 256 C HIS A 142 10.366 -0.071 -0.834 1.00 0.00 C ATOM 257 O HIS A 142 10.846 -1.125 -1.251 1.00 0.00 O ATOM 258 CB HIS A 142 8.733 -0.734 0.943 1.00 0.00 C ATOM 259 CG HIS A 142 8.458 -0.898 2.407 1.00 0.00 C ATOM 260 ND1 HIS A 142 8.904 -1.976 3.142 1.00 0.00 N ATOM 261 CD2 HIS A 142 7.774 -0.112 3.274 1.00 0.00 C ATOM 262 CE1 HIS A 142 8.505 -1.848 4.395 1.00 0.00 C ATOM 263 NE2 HIS A 142 7.820 -0.726 4.500 1.00 0.00 N ATOM 0 H HIS A 142 8.810 1.722 1.203 1.00 0.00 H new ATOM 0 HA HIS A 142 10.815 -0.288 1.246 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.875 -0.253 0.473 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.834 -1.720 0.489 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.456 -2.751 2.775 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.284 0.823 3.043 1.00 0.00 H new ATOM 0 HE1 HIS A 142 8.706 -2.544 5.196 1.00 0.00 H new ATOM 272 N ASN A 143 10.146 0.983 -1.617 1.00 0.00 N ATOM 273 CA ASN A 143 10.461 0.959 -3.041 1.00 0.00 C ATOM 274 C ASN A 143 9.545 -0.011 -3.782 1.00 0.00 C ATOM 275 O ASN A 143 9.985 -0.739 -4.671 1.00 0.00 O ATOM 276 CB ASN A 143 11.928 0.574 -3.260 1.00 0.00 C ATOM 277 CG ASN A 143 12.656 1.556 -4.155 1.00 0.00 C ATOM 278 OD1 ASN A 143 12.915 2.695 -3.767 1.00 0.00 O ATOM 279 ND2 ASN A 143 12.992 1.118 -5.364 1.00 0.00 N ATOM 0 H ASN A 143 9.751 1.864 -1.288 1.00 0.00 H new ATOM 0 HA ASN A 143 10.299 1.960 -3.441 1.00 0.00 H new ATOM 0 HB2 ASN A 143 12.434 0.521 -2.296 1.00 0.00 H new ATOM 0 HB3 ASN A 143 11.977 -0.421 -3.702 1.00 0.00 H new ATOM 0 HD21 ASN A 143 13.484 1.734 -6.011 1.00 0.00 H new ATOM 0 HD22 ASN A 143 12.758 0.166 -5.645 1.00 0.00 H new ATOM 286 N LEU A 144 8.270 -0.014 -3.407 1.00 0.00 N ATOM 287 CA LEU A 144 7.292 -0.894 -4.035 1.00 0.00 C ATOM 288 C LEU A 144 6.427 -0.128 -5.027 1.00 0.00 C ATOM 289 O LEU A 144 6.584 1.080 -5.204 1.00 0.00 O ATOM 290 CB LEU A 144 6.404 -1.550 -2.975 1.00 0.00 C ATOM 291 CG LEU A 144 7.130 -1.981 -1.702 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.132 -2.348 -0.617 1.00 0.00 C ATOM 293 CD2 LEU A 144 8.062 -3.148 -1.990 1.00 0.00 C ATOM 0 H LEU A 144 7.890 0.583 -2.672 1.00 0.00 H new ATOM 0 HA LEU A 144 7.837 -1.669 -4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.611 -0.853 -2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.924 -2.424 -3.415 1.00 0.00 H new ATOM 0 HG LEU A 144 7.729 -1.143 -1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.668 -2.652 0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.506 -1.485 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.505 -3.170 -0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.571 -3.442 -1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.484 -3.990 -2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.800 -2.849 -2.734 1.00 0.00 H new ATOM 305 N ASP A 145 5.512 -0.843 -5.671 1.00 0.00 N ATOM 306 CA ASP A 145 4.615 -0.237 -6.649 1.00 0.00 C ATOM 307 C ASP A 145 3.158 -0.515 -6.292 1.00 0.00 C ATOM 308 O ASP A 145 2.743 -1.670 -6.194 1.00 0.00 O ATOM 309 CB ASP A 145 4.920 -0.767 -8.050 1.00 0.00 C ATOM 310 CG ASP A 145 4.775 0.301 -9.117 1.00 0.00 C ATOM 311 OD1 ASP A 145 3.640 0.516 -9.591 1.00 0.00 O ATOM 312 OD2 ASP A 145 5.797 0.923 -9.476 1.00 0.00 O ATOM 0 H ASP A 145 5.371 -1.844 -5.534 1.00 0.00 H new ATOM 0 HA ASP A 145 4.776 0.841 -6.635 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.935 -1.163 -8.072 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.249 -1.596 -8.276 1.00 0.00 H new ATOM 317 N ALA A 146 2.386 0.550 -6.101 1.00 0.00 N ATOM 318 CA ALA A 146 0.974 0.419 -5.755 1.00 0.00 C ATOM 319 C ALA A 146 0.238 -0.455 -6.764 1.00 0.00 C ATOM 320 O ALA A 146 -0.558 -1.317 -6.390 1.00 0.00 O ATOM 321 CB ALA A 146 0.324 1.792 -5.671 1.00 0.00 C ATOM 0 H ALA A 146 2.713 1.513 -6.180 1.00 0.00 H new ATOM 0 HA ALA A 146 0.908 -0.065 -4.780 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -0.729 1.681 -5.412 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.825 2.386 -4.906 1.00 0.00 H new ATOM 0 HB3 ALA A 146 0.410 2.295 -6.634 1.00 0.00 H new ATOM 327 N SER A 147 0.509 -0.229 -8.045 1.00 0.00 N ATOM 328 CA SER A 147 -0.126 -0.997 -9.109 1.00 0.00 C ATOM 329 C SER A 147 0.154 -2.490 -8.954 1.00 0.00 C ATOM 330 O SER A 147 -0.584 -3.326 -9.476 1.00 0.00 O ATOM 331 CB SER A 147 0.364 -0.514 -10.476 1.00 0.00 C ATOM 332 OG SER A 147 -0.707 -0.428 -11.400 1.00 0.00 O ATOM 0 H SER A 147 1.165 0.481 -8.372 1.00 0.00 H new ATOM 0 HA SER A 147 -1.203 -0.842 -9.038 1.00 0.00 H new ATOM 0 HB2 SER A 147 0.838 0.462 -10.372 1.00 0.00 H new ATOM 0 HB3 SER A 147 1.123 -1.198 -10.856 1.00 0.00 H new ATOM 0 HG SER A 147 -0.368 -0.116 -12.265 1.00 0.00 H new ATOM 338 N ALA A 148 1.222 -2.820 -8.233 1.00 0.00 N ATOM 339 CA ALA A 148 1.594 -4.212 -8.012 1.00 0.00 C ATOM 340 C ALA A 148 0.896 -4.780 -6.780 1.00 0.00 C ATOM 341 O ALA A 148 0.699 -5.989 -6.668 1.00 0.00 O ATOM 342 CB ALA A 148 3.102 -4.339 -7.871 1.00 0.00 C ATOM 0 H ALA A 148 1.844 -2.142 -7.793 1.00 0.00 H new ATOM 0 HA ALA A 148 1.271 -4.789 -8.878 1.00 0.00 H new ATOM 0 HB1 ALA A 148 3.365 -5.384 -7.706 1.00 0.00 H new ATOM 0 HB2 ALA A 148 3.584 -3.982 -8.781 1.00 0.00 H new ATOM 0 HB3 ALA A 148 3.440 -3.742 -7.024 1.00 0.00 H new ATOM 348 N ILE A 149 0.526 -3.898 -5.856 1.00 0.00 N ATOM 349 CA ILE A 149 -0.148 -4.312 -4.630 1.00 0.00 C ATOM 350 C ILE A 149 -1.642 -4.014 -4.700 1.00 0.00 C ATOM 351 O ILE A 149 -2.092 -3.250 -5.553 1.00 0.00 O ATOM 352 CB ILE A 149 0.448 -3.611 -3.392 1.00 0.00 C ATOM 353 CG1 ILE A 149 1.965 -3.470 -3.532 1.00 0.00 C ATOM 354 CG2 ILE A 149 0.099 -4.382 -2.128 1.00 0.00 C ATOM 355 CD1 ILE A 149 2.605 -2.686 -2.408 1.00 0.00 C ATOM 0 H ILE A 149 0.681 -2.893 -5.933 1.00 0.00 H new ATOM 0 HA ILE A 149 0.003 -5.387 -4.534 1.00 0.00 H new ATOM 0 HB ILE A 149 0.016 -2.613 -3.319 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.412 -4.463 -3.572 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.190 -2.981 -4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 149 0.526 -3.875 -1.263 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -0.984 -4.433 -2.020 1.00 0.00 H new ATOM 0 HG23 ILE A 149 0.505 -5.392 -2.194 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.681 -2.626 -2.573 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.185 -1.680 -2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 149 2.411 -3.186 -1.459 1.00 0.00 H new ATOM 367 N LYS A 150 -2.406 -4.623 -3.799 1.00 0.00 N ATOM 368 CA LYS A 150 -3.850 -4.421 -3.760 1.00 0.00 C ATOM 369 C LYS A 150 -4.271 -3.752 -2.455 1.00 0.00 C ATOM 370 O LYS A 150 -3.624 -3.924 -1.421 1.00 0.00 O ATOM 371 CB LYS A 150 -4.576 -5.760 -3.923 1.00 0.00 C ATOM 372 CG LYS A 150 -5.495 -5.810 -5.133 1.00 0.00 C ATOM 373 CD LYS A 150 -5.010 -6.817 -6.165 1.00 0.00 C ATOM 374 CE LYS A 150 -5.487 -8.223 -5.837 1.00 0.00 C ATOM 375 NZ LYS A 150 -5.883 -8.974 -7.060 1.00 0.00 N ATOM 0 H LYS A 150 -2.050 -5.260 -3.087 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.125 -3.765 -4.586 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -3.837 -6.557 -4.005 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.160 -5.959 -3.025 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -6.504 -6.073 -4.814 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -5.552 -4.821 -5.588 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -5.371 -6.530 -7.153 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.921 -6.801 -6.207 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -4.695 -8.764 -5.320 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -6.335 -8.169 -5.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -6.202 -9.927 -6.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -6.656 -8.472 -7.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -5.067 -9.048 -7.701 1.00 0.00 H new ATOM 389 N GLY A 151 -5.358 -2.990 -2.511 1.00 0.00 N ATOM 390 CA GLY A 151 -5.846 -2.305 -1.327 1.00 0.00 C ATOM 391 C GLY A 151 -7.136 -2.903 -0.801 1.00 0.00 C ATOM 392 O GLY A 151 -7.898 -3.513 -1.553 1.00 0.00 O ATOM 0 H GLY A 151 -5.910 -2.834 -3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.085 -2.347 -0.547 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -6.006 -1.252 -1.560 1.00 0.00 H new ATOM 396 N THR A 152 -7.383 -2.730 0.493 1.00 0.00 N ATOM 397 CA THR A 152 -8.591 -3.257 1.118 1.00 0.00 C ATOM 398 C THR A 152 -9.209 -2.235 2.070 1.00 0.00 C ATOM 399 O THR A 152 -9.952 -2.596 2.983 1.00 0.00 O ATOM 400 CB THR A 152 -8.276 -4.550 1.874 1.00 0.00 C ATOM 401 OG1 THR A 152 -9.459 -5.121 2.404 1.00 0.00 O ATOM 402 CG2 THR A 152 -7.308 -4.351 3.020 1.00 0.00 C ATOM 0 H THR A 152 -6.763 -2.229 1.129 1.00 0.00 H new ATOM 0 HA THR A 152 -9.312 -3.470 0.329 1.00 0.00 H new ATOM 0 HB THR A 152 -7.814 -5.210 1.140 1.00 0.00 H new ATOM 0 HG1 THR A 152 -10.036 -4.411 2.755 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.127 -5.306 3.514 1.00 0.00 H new ATOM 0 HG22 THR A 152 -6.367 -3.957 2.637 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.732 -3.647 3.736 1.00 0.00 H new ATOM 410 N GLY A 153 -8.898 -0.961 1.852 1.00 0.00 N ATOM 411 CA GLY A 153 -9.434 0.088 2.700 1.00 0.00 C ATOM 412 C GLY A 153 -10.929 0.268 2.523 1.00 0.00 C ATOM 413 O GLY A 153 -11.667 -0.707 2.383 1.00 0.00 O ATOM 0 H GLY A 153 -8.285 -0.637 1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.220 -0.147 3.743 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.929 1.027 2.475 1.00 0.00 H new ATOM 417 N VAL A 154 -11.377 1.520 2.530 1.00 0.00 N ATOM 418 CA VAL A 154 -12.793 1.825 2.369 1.00 0.00 C ATOM 419 C VAL A 154 -13.138 2.077 0.905 1.00 0.00 C ATOM 420 O VAL A 154 -13.185 3.222 0.457 1.00 0.00 O ATOM 421 CB VAL A 154 -13.200 3.057 3.199 1.00 0.00 C ATOM 422 CG1 VAL A 154 -14.709 3.241 3.178 1.00 0.00 C ATOM 423 CG2 VAL A 154 -12.690 2.931 4.627 1.00 0.00 C ATOM 0 H VAL A 154 -10.780 2.339 2.645 1.00 0.00 H new ATOM 0 HA VAL A 154 -13.346 0.956 2.726 1.00 0.00 H new ATOM 0 HB VAL A 154 -12.744 3.940 2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -14.977 4.116 3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -15.044 3.381 2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -15.189 2.358 3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -12.987 3.810 5.198 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -13.114 2.039 5.087 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -11.603 2.853 4.620 1.00 0.00 H new ATOM 433 N GLY A 155 -13.377 1.000 0.165 1.00 0.00 N ATOM 434 CA GLY A 155 -13.714 1.126 -1.240 1.00 0.00 C ATOM 435 C GLY A 155 -12.502 1.002 -2.142 1.00 0.00 C ATOM 436 O GLY A 155 -12.365 1.745 -3.114 1.00 0.00 O ATOM 0 H GLY A 155 -13.343 0.042 0.513 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -14.441 0.358 -1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -14.192 2.091 -1.410 1.00 0.00 H new ATOM 440 N GLY A 156 -11.620 0.062 -1.820 1.00 0.00 N ATOM 441 CA GLY A 156 -10.425 -0.139 -2.619 1.00 0.00 C ATOM 442 C GLY A 156 -9.345 0.878 -2.311 1.00 0.00 C ATOM 443 O GLY A 156 -9.190 1.866 -3.030 1.00 0.00 O ATOM 0 H GLY A 156 -11.711 -0.564 -1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -10.037 -1.142 -2.441 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.684 -0.081 -3.676 1.00 0.00 H new ATOM 447 N ARG A 157 -8.595 0.638 -1.240 1.00 0.00 N ATOM 448 CA ARG A 157 -7.523 1.542 -0.838 1.00 0.00 C ATOM 449 C ARG A 157 -6.376 0.773 -0.188 1.00 0.00 C ATOM 450 O ARG A 157 -6.597 -0.082 0.670 1.00 0.00 O ATOM 451 CB ARG A 157 -8.049 2.603 0.134 1.00 0.00 C ATOM 452 CG ARG A 157 -9.469 3.059 -0.164 1.00 0.00 C ATOM 453 CD ARG A 157 -9.761 4.414 0.458 1.00 0.00 C ATOM 454 NE ARG A 157 -10.603 5.241 -0.402 1.00 0.00 N ATOM 455 CZ ARG A 157 -11.159 6.388 -0.014 1.00 0.00 C ATOM 456 NH1 ARG A 157 -10.964 6.845 1.216 1.00 0.00 N ATOM 457 NH2 ARG A 157 -11.912 7.078 -0.859 1.00 0.00 N ATOM 0 H ARG A 157 -8.710 -0.175 -0.635 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.149 2.035 -1.736 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.011 2.204 1.148 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.386 3.468 0.106 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -9.616 3.113 -1.243 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -10.176 2.322 0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -10.254 4.273 1.420 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -8.823 4.933 0.654 1.00 0.00 H new ATOM 0 HE ARG A 157 -10.776 4.922 -1.355 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -10.386 6.318 1.870 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -11.392 7.724 1.507 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -12.066 6.731 -1.806 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -12.338 7.956 -0.562 1.00 0.00 H new ATOM 471 N LEU A 158 -5.152 1.087 -0.599 1.00 0.00 N ATOM 472 CA LEU A 158 -3.970 0.429 -0.054 1.00 0.00 C ATOM 473 C LEU A 158 -3.807 0.756 1.426 1.00 0.00 C ATOM 474 O LEU A 158 -3.943 1.910 1.834 1.00 0.00 O ATOM 475 CB LEU A 158 -2.720 0.863 -0.828 1.00 0.00 C ATOM 476 CG LEU A 158 -1.634 -0.206 -0.985 1.00 0.00 C ATOM 477 CD1 LEU A 158 -0.893 -0.416 0.328 1.00 0.00 C ATOM 478 CD2 LEU A 158 -2.233 -1.515 -1.477 1.00 0.00 C ATOM 0 H LEU A 158 -4.953 1.793 -1.308 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.097 -0.648 -0.159 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -3.026 1.193 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.285 1.726 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 158 -0.919 0.143 -1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -0.126 -1.179 0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.425 0.519 0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.597 -0.739 1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -1.444 -2.260 -1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.973 -1.869 -0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -2.712 -1.356 -2.443 1.00 0.00 H new ATOM 490 N THR A 159 -3.517 -0.264 2.228 1.00 0.00 N ATOM 491 CA THR A 159 -3.339 -0.078 3.665 1.00 0.00 C ATOM 492 C THR A 159 -2.042 -0.722 4.143 1.00 0.00 C ATOM 493 O THR A 159 -1.451 -1.551 3.446 1.00 0.00 O ATOM 494 CB THR A 159 -4.526 -0.668 4.428 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.105 -1.740 3.707 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.619 0.341 4.706 1.00 0.00 C ATOM 0 H THR A 159 -3.400 -1.226 1.909 1.00 0.00 H new ATOM 0 HA THR A 159 -3.285 0.993 3.862 1.00 0.00 H new ATOM 0 HB THR A 159 -4.116 -1.009 5.379 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.436 -2.129 3.106 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.431 -0.142 5.250 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.217 1.158 5.305 1.00 0.00 H new ATOM 0 HG23 THR A 159 -5.998 0.736 3.763 1.00 0.00 H new ATOM 504 N ARG A 160 -1.604 -0.339 5.340 1.00 0.00 N ATOM 505 CA ARG A 160 -0.377 -0.880 5.914 1.00 0.00 C ATOM 506 C ARG A 160 -0.439 -2.402 5.972 1.00 0.00 C ATOM 507 O ARG A 160 0.580 -3.081 5.848 1.00 0.00 O ATOM 508 CB ARG A 160 -0.150 -0.310 7.316 1.00 0.00 C ATOM 509 CG ARG A 160 0.037 1.198 7.335 1.00 0.00 C ATOM 510 CD ARG A 160 1.131 1.613 8.306 1.00 0.00 C ATOM 511 NE ARG A 160 1.402 3.048 8.244 1.00 0.00 N ATOM 512 CZ ARG A 160 0.597 3.977 8.757 1.00 0.00 C ATOM 513 NH1 ARG A 160 -0.526 3.625 9.368 1.00 0.00 N ATOM 514 NH2 ARG A 160 0.919 5.259 8.656 1.00 0.00 N ATOM 0 H ARG A 160 -2.081 0.343 5.930 1.00 0.00 H new ATOM 0 HA ARG A 160 0.458 -0.590 5.276 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -0.999 -0.571 7.947 1.00 0.00 H new ATOM 0 HB3 ARG A 160 0.729 -0.783 7.754 1.00 0.00 H new ATOM 0 HG2 ARG A 160 0.287 1.547 6.333 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -0.901 1.678 7.615 1.00 0.00 H new ATOM 0 HD2 ARG A 160 0.837 1.343 9.320 1.00 0.00 H new ATOM 0 HD3 ARG A 160 2.044 1.061 8.081 1.00 0.00 H new ATOM 0 HE ARG A 160 2.257 3.356 7.781 1.00 0.00 H new ATOM 0 HH11 ARG A 160 -0.776 2.639 9.447 1.00 0.00 H new ATOM 0 HH12 ARG A 160 -1.139 4.340 9.759 1.00 0.00 H new ATOM 0 HH21 ARG A 160 1.782 5.533 8.186 1.00 0.00 H new ATOM 0 HH22 ARG A 160 0.304 5.972 9.048 1.00 0.00 H new ATOM 528 N GLU A 161 -1.645 -2.930 6.146 1.00 0.00 N ATOM 529 CA GLU A 161 -1.844 -4.371 6.201 1.00 0.00 C ATOM 530 C GLU A 161 -1.559 -4.991 4.839 1.00 0.00 C ATOM 531 O GLU A 161 -1.006 -6.086 4.745 1.00 0.00 O ATOM 532 CB GLU A 161 -3.273 -4.698 6.639 1.00 0.00 C ATOM 533 CG GLU A 161 -3.676 -4.035 7.946 1.00 0.00 C ATOM 534 CD GLU A 161 -4.926 -4.645 8.548 1.00 0.00 C ATOM 535 OE1 GLU A 161 -6.033 -4.333 8.060 1.00 0.00 O ATOM 536 OE2 GLU A 161 -4.799 -5.434 9.508 1.00 0.00 O ATOM 0 H GLU A 161 -2.498 -2.381 6.251 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.153 -4.789 6.932 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -3.964 -4.387 5.856 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.374 -5.778 6.743 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -2.856 -4.118 8.659 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -3.842 -2.972 7.774 1.00 0.00 H new ATOM 543 N ASP A 162 -1.936 -4.274 3.784 1.00 0.00 N ATOM 544 CA ASP A 162 -1.719 -4.743 2.422 1.00 0.00 C ATOM 545 C ASP A 162 -0.228 -4.800 2.107 1.00 0.00 C ATOM 546 O ASP A 162 0.273 -5.807 1.606 1.00 0.00 O ATOM 547 CB ASP A 162 -2.429 -3.825 1.425 1.00 0.00 C ATOM 548 CG ASP A 162 -3.939 -3.932 1.514 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.453 -5.070 1.537 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.605 -2.877 1.563 1.00 0.00 O ATOM 0 H ASP A 162 -2.394 -3.365 3.848 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.133 -5.747 2.335 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -2.129 -2.793 1.608 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.109 -4.075 0.414 1.00 0.00 H new ATOM 555 N VAL A 163 0.476 -3.714 2.410 1.00 0.00 N ATOM 556 CA VAL A 163 1.911 -3.643 2.163 1.00 0.00 C ATOM 557 C VAL A 163 2.659 -4.667 3.008 1.00 0.00 C ATOM 558 O VAL A 163 3.655 -5.241 2.567 1.00 0.00 O ATOM 559 CB VAL A 163 2.467 -2.237 2.464 1.00 0.00 C ATOM 560 CG1 VAL A 163 3.938 -2.148 2.082 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.658 -1.175 1.735 1.00 0.00 C ATOM 0 H VAL A 163 0.077 -2.873 2.826 1.00 0.00 H new ATOM 0 HA VAL A 163 2.064 -3.863 1.106 1.00 0.00 H new ATOM 0 HB VAL A 163 2.382 -2.057 3.536 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.311 -1.148 2.302 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.507 -2.882 2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 163 4.050 -2.351 1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 163 2.065 -0.189 1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.709 -1.352 0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.619 -1.221 2.061 1.00 0.00 H new ATOM 571 N GLU A 164 2.174 -4.894 4.225 1.00 0.00 N ATOM 572 CA GLU A 164 2.799 -5.851 5.130 1.00 0.00 C ATOM 573 C GLU A 164 2.693 -7.268 4.578 1.00 0.00 C ATOM 574 O GLU A 164 3.680 -8.003 4.533 1.00 0.00 O ATOM 575 CB GLU A 164 2.147 -5.779 6.512 1.00 0.00 C ATOM 576 CG GLU A 164 2.526 -4.535 7.300 1.00 0.00 C ATOM 577 CD GLU A 164 3.448 -4.840 8.465 1.00 0.00 C ATOM 578 OE1 GLU A 164 2.945 -5.276 9.522 1.00 0.00 O ATOM 579 OE2 GLU A 164 4.672 -4.641 8.320 1.00 0.00 O ATOM 0 H GLU A 164 1.351 -4.428 4.606 1.00 0.00 H new ATOM 0 HA GLU A 164 3.854 -5.593 5.221 1.00 0.00 H new ATOM 0 HB2 GLU A 164 1.064 -5.809 6.395 1.00 0.00 H new ATOM 0 HB3 GLU A 164 2.430 -6.662 7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 164 3.012 -3.822 6.634 1.00 0.00 H new ATOM 0 HG3 GLU A 164 1.621 -4.056 7.674 1.00 0.00 H new ATOM 586 N LYS A 165 1.491 -7.644 4.154 1.00 0.00 N ATOM 587 CA LYS A 165 1.258 -8.972 3.599 1.00 0.00 C ATOM 588 C LYS A 165 2.060 -9.167 2.317 1.00 0.00 C ATOM 589 O LYS A 165 2.545 -10.263 2.036 1.00 0.00 O ATOM 590 CB LYS A 165 -0.232 -9.178 3.322 1.00 0.00 C ATOM 591 CG LYS A 165 -0.983 -9.816 4.480 1.00 0.00 C ATOM 592 CD LYS A 165 -2.331 -9.149 4.707 1.00 0.00 C ATOM 593 CE LYS A 165 -2.847 -9.401 6.115 1.00 0.00 C ATOM 594 NZ LYS A 165 -2.385 -8.356 7.070 1.00 0.00 N ATOM 0 H LYS A 165 0.664 -7.048 4.184 1.00 0.00 H new ATOM 0 HA LYS A 165 1.587 -9.711 4.330 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.687 -8.215 3.091 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.346 -9.804 2.437 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.131 -10.877 4.279 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -0.383 -9.744 5.387 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -2.240 -8.076 4.538 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -3.052 -9.526 3.981 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -3.937 -9.426 6.103 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -2.509 -10.380 6.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -1.899 -8.808 7.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -1.729 -7.710 6.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -3.204 -7.820 7.421 1.00 0.00 H new ATOM 608 N TRP A 166 2.195 -8.095 1.544 1.00 0.00 N ATOM 609 CA TRP A 166 2.940 -8.142 0.292 1.00 0.00 C ATOM 610 C TRP A 166 4.436 -8.277 0.556 1.00 0.00 C ATOM 611 O TRP A 166 5.125 -9.056 -0.101 1.00 0.00 O ATOM 612 CB TRP A 166 2.668 -6.883 -0.533 1.00 0.00 C ATOM 613 CG TRP A 166 3.163 -6.975 -1.944 1.00 0.00 C ATOM 614 CD1 TRP A 166 4.374 -6.561 -2.416 1.00 0.00 C ATOM 615 CD2 TRP A 166 2.457 -7.516 -3.067 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.465 -6.810 -3.765 1.00 0.00 N ATOM 617 CE2 TRP A 166 3.301 -7.396 -4.187 1.00 0.00 C ATOM 618 CE3 TRP A 166 1.194 -8.090 -3.234 1.00 0.00 C ATOM 619 CZ2 TRP A 166 2.922 -7.830 -5.455 1.00 0.00 C ATOM 620 CZ3 TRP A 166 0.818 -8.520 -4.493 1.00 0.00 C ATOM 621 CH2 TRP A 166 1.680 -8.388 -5.590 1.00 0.00 C ATOM 0 H TRP A 166 1.797 -7.182 1.763 1.00 0.00 H new ATOM 0 HA TRP A 166 2.607 -9.015 -0.269 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.595 -6.690 -0.544 1.00 0.00 H new ATOM 0 HB3 TRP A 166 3.140 -6.030 -0.046 1.00 0.00 H new ATOM 0 HD1 TRP A 166 5.148 -6.104 -1.817 1.00 0.00 H new ATOM 0 HE1 TRP A 166 5.268 -6.594 -4.355 1.00 0.00 H new ATOM 0 HE3 TRP A 166 0.523 -8.196 -2.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 3.585 -7.730 -6.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 -0.156 -8.965 -4.633 1.00 0.00 H new ATOM 0 HH2 TRP A 166 1.358 -8.734 -6.561 1.00 0.00 H new ATOM 632 N LEU A 167 4.930 -7.510 1.523 1.00 0.00 N ATOM 633 CA LEU A 167 6.345 -7.542 1.878 1.00 0.00 C ATOM 634 C LEU A 167 6.742 -8.915 2.407 1.00 0.00 C ATOM 635 O LEU A 167 7.828 -9.416 2.113 1.00 0.00 O ATOM 636 CB LEU A 167 6.655 -6.470 2.924 1.00 0.00 C ATOM 637 CG LEU A 167 6.736 -5.042 2.383 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.340 -4.041 3.458 1.00 0.00 C ATOM 639 CD2 LEU A 167 8.137 -4.747 1.869 1.00 0.00 C ATOM 0 H LEU A 167 4.372 -6.859 2.075 1.00 0.00 H new ATOM 0 HA LEU A 167 6.924 -7.338 0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.888 -6.506 3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.603 -6.715 3.403 1.00 0.00 H new ATOM 0 HG LEU A 167 6.037 -4.948 1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.404 -3.030 3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.318 -4.239 3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 167 7.014 -4.135 4.309 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.177 -3.727 1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.854 -4.859 2.682 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.385 -5.444 1.068 1.00 0.00 H new ATOM 651 N ALA A 168 5.856 -9.519 3.189 1.00 0.00 N ATOM 652 CA ALA A 168 6.110 -10.835 3.761 1.00 0.00 C ATOM 653 C ALA A 168 5.929 -11.931 2.718 1.00 0.00 C ATOM 654 O ALA A 168 6.602 -12.961 2.761 1.00 0.00 O ATOM 655 CB ALA A 168 5.193 -11.079 4.951 1.00 0.00 C ATOM 0 H ALA A 168 4.953 -9.117 3.442 1.00 0.00 H new ATOM 0 HA ALA A 168 7.145 -10.862 4.102 1.00 0.00 H new ATOM 0 HB1 ALA A 168 5.393 -12.066 5.369 1.00 0.00 H new ATOM 0 HB2 ALA A 168 5.374 -10.319 5.712 1.00 0.00 H new ATOM 0 HB3 ALA A 168 4.154 -11.027 4.626 1.00 0.00 H new ATOM 661 N LYS A 169 5.016 -11.703 1.780 1.00 0.00 N ATOM 662 CA LYS A 169 4.746 -12.672 0.724 1.00 0.00 C ATOM 663 C LYS A 169 5.770 -12.551 -0.399 1.00 0.00 C ATOM 664 O LYS A 169 6.108 -13.538 -1.053 1.00 0.00 O ATOM 665 CB LYS A 169 3.335 -12.472 0.167 1.00 0.00 C ATOM 666 CG LYS A 169 2.246 -13.083 1.034 1.00 0.00 C ATOM 667 CD LYS A 169 1.753 -14.407 0.466 1.00 0.00 C ATOM 668 CE LYS A 169 0.297 -14.326 0.034 1.00 0.00 C ATOM 669 NZ LYS A 169 -0.490 -15.496 0.516 1.00 0.00 N ATOM 0 H LYS A 169 4.450 -10.856 1.729 1.00 0.00 H new ATOM 0 HA LYS A 169 4.821 -13.671 1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 169 3.145 -11.404 0.058 1.00 0.00 H new ATOM 0 HB3 LYS A 169 3.282 -12.909 -0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 169 2.628 -13.239 2.043 1.00 0.00 H new ATOM 0 HG3 LYS A 169 1.411 -12.387 1.114 1.00 0.00 H new ATOM 0 HD2 LYS A 169 2.370 -14.690 -0.387 1.00 0.00 H new ATOM 0 HD3 LYS A 169 1.867 -15.190 1.216 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -0.146 -13.407 0.419 1.00 0.00 H new ATOM 0 HE3 LYS A 169 0.243 -14.275 -1.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -1.477 -15.404 0.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -0.083 -16.371 0.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -0.460 -15.530 1.555 1.00 0.00 H new ATOM 683 N ALA A 170 6.260 -11.335 -0.618 1.00 0.00 N ATOM 684 CA ALA A 170 7.247 -11.086 -1.661 1.00 0.00 C ATOM 685 C ALA A 170 8.661 -11.345 -1.154 1.00 0.00 C ATOM 686 O ALA A 170 9.484 -11.864 -1.937 1.00 0.00 O ATOM 687 CB ALA A 170 7.122 -9.658 -2.174 1.00 0.00 C ATOM 688 OXT ALA A 170 8.934 -11.025 0.023 1.00 0.00 O ATOM 0 H ALA A 170 5.989 -10.507 -0.087 1.00 0.00 H new ATOM 0 HA ALA A 170 7.053 -11.776 -2.482 1.00 0.00 H new ATOM 0 HB1 ALA A 170 7.865 -9.485 -2.953 1.00 0.00 H new ATOM 0 HB2 ALA A 170 6.124 -9.505 -2.584 1.00 0.00 H new ATOM 0 HB3 ALA A 170 7.288 -8.961 -1.353 1.00 0.00 H new