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 Set 1.1: A 132 MET CE :methyl 148:sc= -0.535 (180deg=-1.61!) USER MOD Set 1.2: A 134 SER OG : rot 180:sc= 0.021 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -119:sc= 0.803 (180deg=0.00277) USER MOD Single : A 150 GLN : amide:sc= -0.646 X(o=-0.65,f=-0.15) 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= -0.399 K(o=-0.4,f=-2.9!) USER MOD Single : A 160 LYS NZ :NH3+ 175:sc= 0.0577 (180deg=0.0552) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 130 6.056 4.469 4.105 1.00 0.00 N ATOM 82 CA ILE A 130 6.517 4.854 2.776 1.00 0.00 C ATOM 83 C ILE A 130 5.626 4.261 1.689 1.00 0.00 C ATOM 84 O ILE A 130 5.507 3.043 1.565 1.00 0.00 O ATOM 85 CB ILE A 130 7.970 4.401 2.531 1.00 0.00 C ATOM 86 CG1 ILE A 130 8.848 4.746 3.737 1.00 0.00 C ATOM 87 CG2 ILE A 130 8.519 5.047 1.268 1.00 0.00 C ATOM 88 CD1 ILE A 130 9.032 3.593 4.700 1.00 0.00 C ATOM 0 HA ILE A 130 6.468 5.942 2.730 1.00 0.00 H new ATOM 0 HB ILE A 130 7.979 3.319 2.398 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.826 5.073 3.383 1.00 0.00 H new ATOM 0 HG13 ILE A 130 8.405 5.587 4.270 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.546 4.718 1.108 1.00 0.00 H new ATOM 0 HG22 ILE A 130 7.907 4.755 0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 130 8.498 6.131 1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.664 3.909 5.530 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.061 3.280 5.083 1.00 0.00 H new ATOM 0 HD13 ILE A 130 9.504 2.758 4.182 1.00 0.00 H new ATOM 100 N ALA A 131 5.003 5.133 0.902 1.00 0.00 N ATOM 101 CA ALA A 131 4.125 4.696 -0.178 1.00 0.00 C ATOM 102 C ALA A 131 3.733 5.865 -1.074 1.00 0.00 C ATOM 103 O ALA A 131 3.703 7.013 -0.634 1.00 0.00 O ATOM 104 CB ALA A 131 2.885 4.022 0.388 1.00 0.00 C ATOM 0 H ALA A 131 5.090 6.145 0.992 1.00 0.00 H new ATOM 0 HA ALA A 131 4.670 3.974 -0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 131 2.240 3.702 -0.430 1.00 0.00 H new ATOM 0 HB2 ALA A 131 3.180 3.155 0.979 1.00 0.00 H new ATOM 0 HB3 ALA A 131 2.345 4.726 1.021 1.00 0.00 H new ATOM 110 N MET A 132 3.432 5.565 -2.333 1.00 0.00 N ATOM 111 CA MET A 132 3.041 6.592 -3.290 1.00 0.00 C ATOM 112 C MET A 132 1.565 6.950 -3.129 1.00 0.00 C ATOM 113 O MET A 132 0.756 6.115 -2.724 1.00 0.00 O ATOM 114 CB MET A 132 3.311 6.118 -4.719 1.00 0.00 C ATOM 115 CG MET A 132 4.674 6.534 -5.251 1.00 0.00 C ATOM 116 SD MET A 132 4.821 6.311 -7.033 1.00 0.00 S ATOM 117 CE MET A 132 3.450 7.306 -7.613 1.00 0.00 C ATOM 0 H MET A 132 3.451 4.619 -2.714 1.00 0.00 H new ATOM 0 HA MET A 132 3.637 7.483 -3.093 1.00 0.00 H new ATOM 0 HB2 MET A 132 3.233 5.031 -4.753 1.00 0.00 H new ATOM 0 HB3 MET A 132 2.537 6.514 -5.377 1.00 0.00 H new ATOM 0 HG2 MET A 132 4.852 7.581 -5.004 1.00 0.00 H new ATOM 0 HG3 MET A 132 5.448 5.952 -4.751 1.00 0.00 H new ATOM 0 HE1 MET A 132 3.699 7.740 -8.581 1.00 0.00 H new ATOM 0 HE2 MET A 132 2.563 6.680 -7.713 1.00 0.00 H new ATOM 0 HE3 MET A 132 3.252 8.105 -6.898 1.00 0.00 H new ATOM 127 N PRO A 133 1.193 8.203 -3.445 1.00 0.00 N ATOM 128 CA PRO A 133 -0.193 8.666 -3.334 1.00 0.00 C ATOM 129 C PRO A 133 -1.171 7.737 -4.044 1.00 0.00 C ATOM 130 O PRO A 133 -2.322 7.596 -3.630 1.00 0.00 O ATOM 131 CB PRO A 133 -0.167 10.037 -4.012 1.00 0.00 C ATOM 132 CG PRO A 133 1.242 10.501 -3.872 1.00 0.00 C ATOM 133 CD PRO A 133 2.094 9.263 -3.936 1.00 0.00 C ATOM 0 HA PRO A 133 -0.531 8.697 -2.298 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.458 9.966 -5.060 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.861 10.728 -3.534 1.00 0.00 H new ATOM 0 HG2 PRO A 133 1.505 11.197 -4.669 1.00 0.00 H new ATOM 0 HG3 PRO A 133 1.388 11.027 -2.928 1.00 0.00 H new ATOM 0 HD2 PRO A 133 2.435 9.062 -4.952 1.00 0.00 H new ATOM 0 HD3 PRO A 133 2.984 9.355 -3.313 1.00 0.00 H new ATOM 141 N SER A 134 -0.705 7.104 -5.116 1.00 0.00 N ATOM 142 CA SER A 134 -1.538 6.185 -5.881 1.00 0.00 C ATOM 143 C SER A 134 -1.935 4.984 -5.031 1.00 0.00 C ATOM 144 O SER A 134 -3.061 4.492 -5.120 1.00 0.00 O ATOM 145 CB SER A 134 -0.799 5.716 -7.136 1.00 0.00 C ATOM 146 OG SER A 134 0.021 6.747 -7.659 1.00 0.00 O ATOM 0 H SER A 134 0.244 7.211 -5.474 1.00 0.00 H new ATOM 0 HA SER A 134 -2.443 6.714 -6.180 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.187 4.846 -6.898 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.520 5.402 -7.891 1.00 0.00 H new ATOM 0 HG SER A 134 0.484 6.422 -8.459 1.00 0.00 H new ATOM 152 N VAL A 135 -1.005 4.518 -4.204 1.00 0.00 N ATOM 153 CA VAL A 135 -1.258 3.378 -3.334 1.00 0.00 C ATOM 154 C VAL A 135 -2.134 3.777 -2.158 1.00 0.00 C ATOM 155 O VAL A 135 -3.139 3.128 -1.873 1.00 0.00 O ATOM 156 CB VAL A 135 0.056 2.767 -2.814 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.215 1.519 -1.988 1.00 0.00 C ATOM 158 CG2 VAL A 135 0.980 2.453 -3.979 1.00 0.00 C ATOM 0 H VAL A 135 -0.069 4.914 -4.119 1.00 0.00 H new ATOM 0 HA VAL A 135 -1.779 2.628 -3.929 1.00 0.00 H new ATOM 0 HB VAL A 135 0.545 3.495 -2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 135 0.729 1.106 -1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -0.843 1.776 -1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.726 0.779 -2.604 1.00 0.00 H new ATOM 0 HG21 VAL A 135 1.907 2.021 -3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 135 0.494 1.742 -4.647 1.00 0.00 H new ATOM 0 HG23 VAL A 135 1.202 3.370 -4.524 1.00 0.00 H new ATOM 168 N ARG A 136 -1.758 4.857 -1.487 1.00 0.00 N ATOM 169 CA ARG A 136 -2.529 5.349 -0.352 1.00 0.00 C ATOM 170 C ARG A 136 -3.960 5.613 -0.786 1.00 0.00 C ATOM 171 O ARG A 136 -4.913 5.193 -0.131 1.00 0.00 O ATOM 172 CB ARG A 136 -1.905 6.626 0.209 1.00 0.00 C ATOM 173 CG ARG A 136 -0.894 6.372 1.315 1.00 0.00 C ATOM 174 CD ARG A 136 -1.357 6.949 2.647 1.00 0.00 C ATOM 175 NE ARG A 136 -0.325 7.768 3.276 1.00 0.00 N ATOM 176 CZ ARG A 136 -0.435 8.292 4.496 1.00 0.00 C ATOM 177 NH1 ARG A 136 -1.526 8.080 5.220 1.00 0.00 N ATOM 178 NH2 ARG A 136 0.551 9.029 4.990 1.00 0.00 N ATOM 0 H ARG A 136 -0.928 5.407 -1.707 1.00 0.00 H new ATOM 0 HA ARG A 136 -2.523 4.593 0.433 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -1.417 7.168 -0.601 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -2.697 7.270 0.592 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.732 5.299 1.420 1.00 0.00 H new ATOM 0 HG3 ARG A 136 0.064 6.814 1.041 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.252 7.551 2.490 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.634 6.136 3.318 1.00 0.00 H new ATOM 0 HE ARG A 136 0.530 7.950 2.751 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -2.286 7.513 4.843 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -1.605 8.484 6.153 1.00 0.00 H new ATOM 0 HH21 ARG A 136 1.391 9.194 4.436 1.00 0.00 H new ATOM 0 HH22 ARG A 136 0.469 9.431 5.924 1.00 0.00 H new ATOM 192 N LYS A 137 -4.095 6.295 -1.918 1.00 0.00 N ATOM 193 CA LYS A 137 -5.403 6.601 -2.476 1.00 0.00 C ATOM 194 C LYS A 137 -6.156 5.304 -2.756 1.00 0.00 C ATOM 195 O LYS A 137 -7.332 5.166 -2.413 1.00 0.00 O ATOM 196 CB LYS A 137 -5.242 7.424 -3.762 1.00 0.00 C ATOM 197 CG LYS A 137 -6.474 7.445 -4.657 1.00 0.00 C ATOM 198 CD LYS A 137 -7.461 8.518 -4.226 1.00 0.00 C ATOM 199 CE LYS A 137 -8.146 8.155 -2.917 1.00 0.00 C ATOM 200 NZ LYS A 137 -9.428 8.892 -2.738 1.00 0.00 N ATOM 0 H LYS A 137 -3.311 6.647 -2.467 1.00 0.00 H new ATOM 0 HA LYS A 137 -5.976 7.190 -1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -4.987 8.449 -3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -4.402 7.025 -4.331 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -6.172 7.622 -5.689 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -6.961 6.470 -4.630 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -6.940 9.469 -4.113 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -8.212 8.656 -5.004 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -8.338 7.082 -2.893 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -7.479 8.379 -2.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -9.863 8.617 -1.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -9.243 9.915 -2.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -10.074 8.659 -3.519 1.00 0.00 H new ATOM 214 N TRP A 138 -5.461 4.352 -3.371 1.00 0.00 N ATOM 215 CA TRP A 138 -6.048 3.059 -3.689 1.00 0.00 C ATOM 216 C TRP A 138 -6.576 2.389 -2.424 1.00 0.00 C ATOM 217 O TRP A 138 -7.717 1.929 -2.378 1.00 0.00 O ATOM 218 CB TRP A 138 -5.002 2.176 -4.377 1.00 0.00 C ATOM 219 CG TRP A 138 -5.395 0.737 -4.482 1.00 0.00 C ATOM 220 CD1 TRP A 138 -4.819 -0.312 -3.834 1.00 0.00 C ATOM 221 CD2 TRP A 138 -6.445 0.190 -5.286 1.00 0.00 C ATOM 222 NE1 TRP A 138 -5.445 -1.485 -4.185 1.00 0.00 N ATOM 223 CE2 TRP A 138 -6.449 -1.202 -5.075 1.00 0.00 C ATOM 224 CE3 TRP A 138 -7.383 0.741 -6.161 1.00 0.00 C ATOM 225 CZ2 TRP A 138 -7.353 -2.048 -5.710 1.00 0.00 C ATOM 226 CZ3 TRP A 138 -8.281 -0.099 -6.790 1.00 0.00 C ATOM 227 CH2 TRP A 138 -8.261 -1.480 -6.562 1.00 0.00 C ATOM 0 H TRP A 138 -4.488 4.454 -3.659 1.00 0.00 H new ATOM 0 HA TRP A 138 -6.888 3.203 -4.368 1.00 0.00 H new ATOM 0 HB2 TRP A 138 -4.815 2.565 -5.378 1.00 0.00 H new ATOM 0 HB3 TRP A 138 -4.064 2.247 -3.827 1.00 0.00 H new ATOM 0 HD1 TRP A 138 -3.991 -0.235 -3.145 1.00 0.00 H new ATOM 0 HE1 TRP A 138 -5.202 -2.414 -3.840 1.00 0.00 H new ATOM 0 HE3 TRP A 138 -7.406 1.805 -6.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 -7.339 -3.114 -5.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 -9.011 0.317 -7.469 1.00 0.00 H new ATOM 0 HH2 TRP A 138 -8.977 -2.110 -7.069 1.00 0.00 H new ATOM 238 N ALA A 139 -5.738 2.352 -1.395 1.00 0.00 N ATOM 239 CA ALA A 139 -6.115 1.757 -0.124 1.00 0.00 C ATOM 240 C ALA A 139 -7.274 2.524 0.500 1.00 0.00 C ATOM 241 O ALA A 139 -8.179 1.934 1.085 1.00 0.00 O ATOM 242 CB ALA A 139 -4.919 1.736 0.816 1.00 0.00 C ATOM 0 H ALA A 139 -4.791 2.729 -1.419 1.00 0.00 H new ATOM 0 HA ALA A 139 -6.440 0.731 -0.298 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -5.211 1.288 1.766 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -4.116 1.149 0.370 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.572 2.755 0.986 1.00 0.00 H new ATOM 248 N ARG A 140 -7.241 3.846 0.368 1.00 0.00 N ATOM 249 CA ARG A 140 -8.290 4.695 0.918 1.00 0.00 C ATOM 250 C ARG A 140 -9.634 4.405 0.255 1.00 0.00 C ATOM 251 O ARG A 140 -10.686 4.546 0.878 1.00 0.00 O ATOM 252 CB ARG A 140 -7.930 6.172 0.737 1.00 0.00 C ATOM 253 CG ARG A 140 -6.757 6.623 1.593 1.00 0.00 C ATOM 254 CD ARG A 140 -7.100 7.859 2.409 1.00 0.00 C ATOM 255 NE ARG A 140 -6.025 8.848 2.382 1.00 0.00 N ATOM 256 CZ ARG A 140 -5.898 9.830 3.272 1.00 0.00 C ATOM 257 NH1 ARG A 140 -6.777 9.961 4.258 1.00 0.00 N ATOM 258 NH2 ARG A 140 -4.889 10.685 3.174 1.00 0.00 N ATOM 0 H ARG A 140 -6.499 4.352 -0.115 1.00 0.00 H new ATOM 0 HA ARG A 140 -8.375 4.475 1.982 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -7.695 6.354 -0.312 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -8.801 6.782 0.979 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -6.463 5.815 2.263 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -5.900 6.835 0.954 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -8.015 8.307 2.021 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -7.300 7.569 3.440 1.00 0.00 H new ATOM 0 HE ARG A 140 -5.331 8.782 1.637 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -7.556 9.307 4.337 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -6.674 10.716 4.936 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -4.212 10.590 2.417 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -4.790 11.438 3.855 1.00 0.00 H new ATOM 272 N GLU A 141 -9.592 4.003 -1.011 1.00 0.00 N ATOM 273 CA GLU A 141 -10.810 3.698 -1.754 1.00 0.00 C ATOM 274 C GLU A 141 -11.294 2.281 -1.463 1.00 0.00 C ATOM 275 O GLU A 141 -12.492 2.004 -1.503 1.00 0.00 O ATOM 276 CB GLU A 141 -10.572 3.871 -3.256 1.00 0.00 C ATOM 277 CG GLU A 141 -10.956 5.245 -3.779 1.00 0.00 C ATOM 278 CD GLU A 141 -10.598 5.435 -5.240 1.00 0.00 C ATOM 279 OE1 GLU A 141 -10.739 4.467 -6.016 1.00 0.00 O ATOM 280 OE2 GLU A 141 -10.178 6.552 -5.608 1.00 0.00 O ATOM 0 H GLU A 141 -8.730 3.881 -1.543 1.00 0.00 H new ATOM 0 HA GLU A 141 -11.583 4.395 -1.431 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -9.519 3.691 -3.471 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -11.142 3.114 -3.795 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -12.028 5.392 -3.650 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -10.455 6.009 -3.184 1.00 0.00 H new ATOM 287 N LYS A 142 -10.356 1.385 -1.174 1.00 0.00 N ATOM 288 CA LYS A 142 -10.690 -0.006 -0.881 1.00 0.00 C ATOM 289 C LYS A 142 -10.968 -0.214 0.608 1.00 0.00 C ATOM 290 O LYS A 142 -11.536 -1.233 1.002 1.00 0.00 O ATOM 291 CB LYS A 142 -9.555 -0.927 -1.332 1.00 0.00 C ATOM 292 CG LYS A 142 -10.038 -2.222 -1.964 1.00 0.00 C ATOM 293 CD LYS A 142 -10.193 -2.082 -3.470 1.00 0.00 C ATOM 294 CE LYS A 142 -10.992 -3.234 -4.056 1.00 0.00 C ATOM 295 NZ LYS A 142 -10.505 -3.615 -5.411 1.00 0.00 N ATOM 0 H LYS A 142 -9.359 1.596 -1.136 1.00 0.00 H new ATOM 0 HA LYS A 142 -11.598 -0.253 -1.432 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -8.929 -0.395 -2.048 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -8.927 -1.164 -0.473 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -9.332 -3.022 -1.743 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -10.993 -2.509 -1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -10.689 -1.139 -3.700 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -9.209 -2.046 -3.937 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -10.927 -4.096 -3.391 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -12.044 -2.954 -4.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -11.269 -3.485 -6.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -9.696 -3.015 -5.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -10.209 -4.612 -5.406 1.00 0.00 H new ATOM 309 N GLY A 143 -10.562 0.749 1.431 1.00 0.00 N ATOM 310 CA GLY A 143 -10.775 0.638 2.864 1.00 0.00 C ATOM 311 C GLY A 143 -9.505 0.285 3.619 1.00 0.00 C ATOM 312 O GLY A 143 -9.489 0.278 4.850 1.00 0.00 O ATOM 0 H GLY A 143 -10.090 1.603 1.132 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -11.168 1.581 3.243 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -11.531 -0.123 3.057 1.00 0.00 H new ATOM 316 N VAL A 144 -8.438 -0.006 2.879 1.00 0.00 N ATOM 317 CA VAL A 144 -7.159 -0.360 3.481 1.00 0.00 C ATOM 318 C VAL A 144 -6.342 0.884 3.816 1.00 0.00 C ATOM 319 O VAL A 144 -6.382 1.880 3.095 1.00 0.00 O ATOM 320 CB VAL A 144 -6.328 -1.260 2.546 1.00 0.00 C ATOM 321 CG1 VAL A 144 -5.057 -1.723 3.246 1.00 0.00 C ATOM 322 CG2 VAL A 144 -7.151 -2.453 2.078 1.00 0.00 C ATOM 0 H VAL A 144 -8.436 -0.003 1.859 1.00 0.00 H new ATOM 0 HA VAL A 144 -7.385 -0.904 4.398 1.00 0.00 H new ATOM 0 HB VAL A 144 -6.045 -0.678 1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -4.481 -2.358 2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -4.460 -0.856 3.527 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -5.319 -2.288 4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -6.546 -3.076 1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -7.467 -3.038 2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -8.029 -2.100 1.538 1.00 0.00 H new ATOM 332 N ASP A 145 -5.596 0.814 4.912 1.00 0.00 N ATOM 333 CA ASP A 145 -4.758 1.926 5.340 1.00 0.00 C ATOM 334 C ASP A 145 -3.284 1.591 5.133 1.00 0.00 C ATOM 335 O ASP A 145 -2.774 0.625 5.692 1.00 0.00 O ATOM 336 CB ASP A 145 -5.018 2.254 6.812 1.00 0.00 C ATOM 337 CG ASP A 145 -4.391 3.568 7.232 1.00 0.00 C ATOM 338 OD1 ASP A 145 -3.371 3.960 6.628 1.00 0.00 O ATOM 339 OD2 ASP A 145 -4.922 4.207 8.165 1.00 0.00 O ATOM 0 H ASP A 145 -5.555 -0.003 5.521 1.00 0.00 H new ATOM 0 HA ASP A 145 -5.009 2.798 4.736 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -6.093 2.295 6.988 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -4.624 1.451 7.435 1.00 0.00 H new ATOM 344 N ILE A 146 -2.602 2.387 4.319 1.00 0.00 N ATOM 345 CA ILE A 146 -1.188 2.155 4.041 1.00 0.00 C ATOM 346 C ILE A 146 -0.389 1.948 5.331 1.00 0.00 C ATOM 347 O ILE A 146 0.649 1.287 5.332 1.00 0.00 O ATOM 348 CB ILE A 146 -0.578 3.321 3.227 1.00 0.00 C ATOM 349 CG1 ILE A 146 0.534 2.802 2.317 1.00 0.00 C ATOM 350 CG2 ILE A 146 -0.054 4.422 4.143 1.00 0.00 C ATOM 351 CD1 ILE A 146 0.051 2.406 0.937 1.00 0.00 C ATOM 0 H ILE A 146 -3.001 3.195 3.841 1.00 0.00 H new ATOM 0 HA ILE A 146 -1.126 1.243 3.447 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.366 3.753 2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 146 1.300 3.571 2.218 1.00 0.00 H new ATOM 0 HG13 ILE A 146 1.006 1.940 2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 146 0.368 5.226 3.541 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -0.873 4.813 4.748 1.00 0.00 H new ATOM 0 HG23 ILE A 146 0.718 4.015 4.797 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.893 2.047 0.346 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.694 1.615 1.025 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -0.395 3.271 0.446 1.00 0.00 H new ATOM 363 N ARG A 147 -0.883 2.523 6.424 1.00 0.00 N ATOM 364 CA ARG A 147 -0.220 2.410 7.720 1.00 0.00 C ATOM 365 C ARG A 147 -0.088 0.953 8.164 1.00 0.00 C ATOM 366 O ARG A 147 0.826 0.608 8.914 1.00 0.00 O ATOM 367 CB ARG A 147 -0.990 3.205 8.776 1.00 0.00 C ATOM 368 CG ARG A 147 -0.506 4.637 8.932 1.00 0.00 C ATOM 369 CD ARG A 147 -1.639 5.568 9.332 1.00 0.00 C ATOM 370 NE ARG A 147 -2.340 6.108 8.170 1.00 0.00 N ATOM 371 CZ ARG A 147 -3.538 6.685 8.228 1.00 0.00 C ATOM 372 NH1 ARG A 147 -4.171 6.799 9.389 1.00 0.00 N ATOM 373 NH2 ARG A 147 -4.104 7.150 7.123 1.00 0.00 N ATOM 0 H ARG A 147 -1.742 3.073 6.438 1.00 0.00 H new ATOM 0 HA ARG A 147 0.784 2.820 7.613 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -2.048 3.214 8.512 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.906 2.695 9.736 1.00 0.00 H new ATOM 0 HG2 ARG A 147 0.281 4.676 9.685 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.067 4.978 7.994 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -2.345 5.029 9.963 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -1.240 6.389 9.929 1.00 0.00 H new ATOM 0 HE ARG A 147 -1.884 6.039 7.260 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -3.740 6.444 10.242 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -5.089 7.242 9.428 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -3.621 7.066 6.228 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -5.022 7.592 7.167 1.00 0.00 H new ATOM 387 N LEU A 148 -1.000 0.099 7.704 1.00 0.00 N ATOM 388 CA LEU A 148 -0.966 -1.317 8.070 1.00 0.00 C ATOM 389 C LEU A 148 -0.451 -2.174 6.921 1.00 0.00 C ATOM 390 O LEU A 148 -0.786 -3.353 6.821 1.00 0.00 O ATOM 391 CB LEU A 148 -2.352 -1.813 8.497 1.00 0.00 C ATOM 392 CG LEU A 148 -3.530 -1.205 7.738 1.00 0.00 C ATOM 393 CD1 LEU A 148 -3.691 -1.864 6.377 1.00 0.00 C ATOM 394 CD2 LEU A 148 -4.810 -1.341 8.544 1.00 0.00 C ATOM 0 H LEU A 148 -1.766 0.359 7.082 1.00 0.00 H new ATOM 0 HA LEU A 148 -0.282 -1.412 8.913 1.00 0.00 H new ATOM 0 HB2 LEU A 148 -2.384 -2.896 8.376 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -2.481 -1.607 9.559 1.00 0.00 H new ATOM 0 HG LEU A 148 -3.326 -0.145 7.585 1.00 0.00 H new ATOM 0 HD11 LEU A 148 -4.536 -1.416 5.853 1.00 0.00 H new ATOM 0 HD12 LEU A 148 -2.783 -1.718 5.792 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -3.870 -2.931 6.508 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -5.639 -0.902 7.988 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -5.014 -2.396 8.727 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -4.697 -0.822 9.496 1.00 0.00 H new ATOM 406 N VAL A 149 0.359 -1.583 6.051 1.00 0.00 N ATOM 407 CA VAL A 149 0.904 -2.311 4.914 1.00 0.00 C ATOM 408 C VAL A 149 2.418 -2.157 4.828 1.00 0.00 C ATOM 409 O VAL A 149 2.927 -1.084 4.507 1.00 0.00 O ATOM 410 CB VAL A 149 0.270 -1.840 3.591 1.00 0.00 C ATOM 411 CG1 VAL A 149 0.724 -2.722 2.440 1.00 0.00 C ATOM 412 CG2 VAL A 149 -1.249 -1.832 3.699 1.00 0.00 C ATOM 0 H VAL A 149 0.651 -0.608 6.111 1.00 0.00 H new ATOM 0 HA VAL A 149 0.663 -3.363 5.070 1.00 0.00 H new ATOM 0 HB VAL A 149 0.602 -0.821 3.392 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.267 -2.375 1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 149 1.809 -2.673 2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.422 -3.752 2.630 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -1.679 -1.497 2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -1.603 -2.838 3.922 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -1.553 -1.155 4.497 1.00 0.00 H new ATOM 422 N GLN A 150 3.131 -3.242 5.112 1.00 0.00 N ATOM 423 CA GLN A 150 4.588 -3.233 5.062 1.00 0.00 C ATOM 424 C GLN A 150 5.075 -3.352 3.622 1.00 0.00 C ATOM 425 O GLN A 150 5.526 -4.413 3.192 1.00 0.00 O ATOM 426 CB GLN A 150 5.158 -4.377 5.904 1.00 0.00 C ATOM 427 CG GLN A 150 6.658 -4.275 6.129 1.00 0.00 C ATOM 428 CD GLN A 150 7.032 -3.133 7.054 1.00 0.00 C ATOM 429 OE1 GLN A 150 7.224 -3.328 8.253 1.00 0.00 O ATOM 430 NE2 GLN A 150 7.135 -1.931 6.498 1.00 0.00 N ATOM 0 H GLN A 150 2.723 -4.138 5.379 1.00 0.00 H new ATOM 0 HA GLN A 150 4.938 -2.286 5.472 1.00 0.00 H new ATOM 0 HB2 GLN A 150 4.654 -4.393 6.870 1.00 0.00 H new ATOM 0 HB3 GLN A 150 4.936 -5.325 5.413 1.00 0.00 H new ATOM 0 HG2 GLN A 150 7.023 -5.212 6.549 1.00 0.00 H new ATOM 0 HG3 GLN A 150 7.157 -4.139 5.170 1.00 0.00 H new ATOM 0 HE21 GLN A 150 6.967 -1.815 5.499 1.00 0.00 H new ATOM 0 HE22 GLN A 150 7.382 -1.124 7.070 1.00 0.00 H new ATOM 439 N GLY A 151 4.972 -2.254 2.881 1.00 0.00 N ATOM 440 CA GLY A 151 5.399 -2.251 1.493 1.00 0.00 C ATOM 441 C GLY A 151 6.838 -2.694 1.322 1.00 0.00 C ATOM 442 O GLY A 151 7.684 -2.422 2.174 1.00 0.00 O ATOM 0 H GLY A 151 4.600 -1.365 3.216 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.750 -2.909 0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.281 -1.248 1.083 1.00 0.00 H new ATOM 446 N THR A 152 7.115 -3.377 0.216 1.00 0.00 N ATOM 447 CA THR A 152 8.461 -3.859 -0.071 1.00 0.00 C ATOM 448 C THR A 152 9.001 -3.231 -1.354 1.00 0.00 C ATOM 449 O THR A 152 9.854 -3.808 -2.026 1.00 0.00 O ATOM 450 CB THR A 152 8.465 -5.384 -0.197 1.00 0.00 C ATOM 451 OG1 THR A 152 7.623 -5.802 -1.257 1.00 0.00 O ATOM 452 CG2 THR A 152 8.002 -6.088 1.061 1.00 0.00 C ATOM 0 H THR A 152 6.424 -3.609 -0.497 1.00 0.00 H new ATOM 0 HA THR A 152 9.108 -3.568 0.757 1.00 0.00 H new ATOM 0 HB THR A 152 9.503 -5.656 -0.387 1.00 0.00 H new ATOM 0 HG1 THR A 152 7.640 -6.780 -1.323 1.00 0.00 H new ATOM 0 HG21 THR A 152 8.028 -7.166 0.905 1.00 0.00 H new ATOM 0 HG22 THR A 152 8.661 -5.825 1.889 1.00 0.00 H new ATOM 0 HG23 THR A 152 6.983 -5.780 1.296 1.00 0.00 H new ATOM 460 N GLY A 153 8.496 -2.046 -1.686 1.00 0.00 N ATOM 461 CA GLY A 153 8.937 -1.362 -2.887 1.00 0.00 C ATOM 462 C GLY A 153 10.315 -0.750 -2.737 1.00 0.00 C ATOM 463 O GLY A 153 10.464 0.321 -2.148 1.00 0.00 O ATOM 0 H GLY A 153 7.790 -1.548 -1.144 1.00 0.00 H new ATOM 0 HA2 GLY A 153 8.945 -2.066 -3.719 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.221 -0.579 -3.138 1.00 0.00 H new ATOM 467 N LYS A 154 11.324 -1.430 -3.274 1.00 0.00 N ATOM 468 CA LYS A 154 12.700 -0.951 -3.203 1.00 0.00 C ATOM 469 C LYS A 154 13.150 -0.786 -1.751 1.00 0.00 C ATOM 470 O LYS A 154 13.805 -1.668 -1.195 1.00 0.00 O ATOM 471 CB LYS A 154 12.842 0.373 -3.960 1.00 0.00 C ATOM 472 CG LYS A 154 14.252 0.944 -3.931 1.00 0.00 C ATOM 473 CD LYS A 154 14.993 0.663 -5.229 1.00 0.00 C ATOM 474 CE LYS A 154 14.557 1.608 -6.336 1.00 0.00 C ATOM 475 NZ LYS A 154 15.480 1.561 -7.503 1.00 0.00 N ATOM 0 H LYS A 154 11.213 -2.317 -3.765 1.00 0.00 H new ATOM 0 HA LYS A 154 13.343 -1.695 -3.673 1.00 0.00 H new ATOM 0 HB2 LYS A 154 12.541 0.223 -4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 154 12.155 1.102 -3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 154 14.207 2.020 -3.762 1.00 0.00 H new ATOM 0 HG3 LYS A 154 14.803 0.513 -3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 154 16.066 0.763 -5.065 1.00 0.00 H new ATOM 0 HD3 LYS A 154 14.812 -0.367 -5.537 1.00 0.00 H new ATOM 0 HE2 LYS A 154 13.549 1.347 -6.660 1.00 0.00 H new ATOM 0 HE3 LYS A 154 14.514 2.626 -5.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 15.147 2.220 -8.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 16.437 1.834 -7.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 15.502 0.596 -7.890 1.00 0.00 H new ATOM 489 N ASN A 155 12.796 0.341 -1.141 1.00 0.00 N ATOM 490 CA ASN A 155 13.165 0.608 0.245 1.00 0.00 C ATOM 491 C ASN A 155 12.023 0.262 1.200 1.00 0.00 C ATOM 492 O ASN A 155 12.099 0.541 2.396 1.00 0.00 O ATOM 493 CB ASN A 155 13.558 2.077 0.416 1.00 0.00 C ATOM 494 CG ASN A 155 12.415 3.021 0.097 1.00 0.00 C ATOM 495 OD1 ASN A 155 11.647 3.405 0.979 1.00 0.00 O ATOM 496 ND2 ASN A 155 12.297 3.402 -1.171 1.00 0.00 N ATOM 0 H ASN A 155 12.255 1.083 -1.584 1.00 0.00 H new ATOM 0 HA ASN A 155 14.018 -0.024 0.490 1.00 0.00 H new ATOM 0 HB2 ASN A 155 13.889 2.245 1.441 1.00 0.00 H new ATOM 0 HB3 ASN A 155 14.404 2.302 -0.233 1.00 0.00 H new ATOM 0 HD21 ASN A 155 11.547 4.037 -1.445 1.00 0.00 H new ATOM 0 HD22 ASN A 155 12.956 3.059 -1.870 1.00 0.00 H new ATOM 503 N GLY A 156 10.965 -0.348 0.667 1.00 0.00 N ATOM 504 CA GLY A 156 9.831 -0.718 1.493 1.00 0.00 C ATOM 505 C GLY A 156 8.595 0.106 1.186 1.00 0.00 C ATOM 506 O GLY A 156 7.732 0.286 2.046 1.00 0.00 O ATOM 0 H GLY A 156 10.875 -0.591 -0.320 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.606 -1.774 1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.095 -0.594 2.543 1.00 0.00 H new ATOM 510 N ARG A 157 8.512 0.609 -0.041 1.00 0.00 N ATOM 511 CA ARG A 157 7.375 1.422 -0.460 1.00 0.00 C ATOM 512 C ARG A 157 6.192 0.546 -0.865 1.00 0.00 C ATOM 513 O ARG A 157 6.313 -0.309 -1.742 1.00 0.00 O ATOM 514 CB ARG A 157 7.778 2.328 -1.626 1.00 0.00 C ATOM 515 CG ARG A 157 7.407 3.787 -1.418 1.00 0.00 C ATOM 516 CD ARG A 157 6.863 4.415 -2.693 1.00 0.00 C ATOM 517 NE ARG A 157 7.847 5.283 -3.339 1.00 0.00 N ATOM 518 CZ ARG A 157 8.814 4.843 -4.142 1.00 0.00 C ATOM 519 NH1 ARG A 157 8.935 3.546 -4.400 1.00 0.00 N ATOM 520 NH2 ARG A 157 9.664 5.702 -4.687 1.00 0.00 N ATOM 0 H ARG A 157 9.218 0.468 -0.763 1.00 0.00 H new ATOM 0 HA ARG A 157 7.069 2.038 0.386 1.00 0.00 H new ATOM 0 HB2 ARG A 157 8.855 2.254 -1.778 1.00 0.00 H new ATOM 0 HB3 ARG A 157 7.302 1.967 -2.537 1.00 0.00 H new ATOM 0 HG2 ARG A 157 6.661 3.864 -0.627 1.00 0.00 H new ATOM 0 HG3 ARG A 157 8.284 4.342 -1.084 1.00 0.00 H new ATOM 0 HD2 ARG A 157 6.563 3.628 -3.385 1.00 0.00 H new ATOM 0 HD3 ARG A 157 5.968 4.992 -2.460 1.00 0.00 H new ATOM 0 HE ARG A 157 7.789 6.286 -3.164 1.00 0.00 H new ATOM 0 HH11 ARG A 157 8.285 2.880 -3.982 1.00 0.00 H new ATOM 0 HH12 ARG A 157 9.678 3.216 -5.016 1.00 0.00 H new ATOM 0 HH21 ARG A 157 9.577 6.699 -4.491 1.00 0.00 H new ATOM 0 HH22 ARG A 157 10.405 5.366 -5.302 1.00 0.00 H new ATOM 534 N VAL A 158 5.048 0.769 -0.224 1.00 0.00 N ATOM 535 CA VAL A 158 3.843 0.005 -0.523 1.00 0.00 C ATOM 536 C VAL A 158 3.323 0.333 -1.918 1.00 0.00 C ATOM 537 O VAL A 158 2.842 1.437 -2.169 1.00 0.00 O ATOM 538 CB VAL A 158 2.728 0.286 0.503 1.00 0.00 C ATOM 539 CG1 VAL A 158 1.546 -0.644 0.276 1.00 0.00 C ATOM 540 CG2 VAL A 158 3.255 0.148 1.923 1.00 0.00 C ATOM 0 H VAL A 158 4.931 1.472 0.505 1.00 0.00 H new ATOM 0 HA VAL A 158 4.115 -1.049 -0.472 1.00 0.00 H new ATOM 0 HB VAL A 158 2.388 1.312 0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 158 0.769 -0.431 1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 158 1.149 -0.490 -0.728 1.00 0.00 H new ATOM 0 HG13 VAL A 158 1.871 -1.679 0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 158 2.451 0.351 2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 158 3.627 -0.865 2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 158 4.066 0.859 2.081 1.00 0.00 H new ATOM 550 N LEU A 159 3.423 -0.635 -2.823 1.00 0.00 N ATOM 551 CA LEU A 159 2.962 -0.449 -4.194 1.00 0.00 C ATOM 552 C LEU A 159 1.613 -1.127 -4.408 1.00 0.00 C ATOM 553 O LEU A 159 1.102 -1.809 -3.518 1.00 0.00 O ATOM 554 CB LEU A 159 3.988 -1.012 -5.183 1.00 0.00 C ATOM 555 CG LEU A 159 5.452 -0.841 -4.771 1.00 0.00 C ATOM 556 CD1 LEU A 159 6.330 -1.847 -5.500 1.00 0.00 C ATOM 557 CD2 LEU A 159 5.922 0.579 -5.050 1.00 0.00 C ATOM 0 H LEU A 159 3.819 -1.555 -2.632 1.00 0.00 H new ATOM 0 HA LEU A 159 2.847 0.621 -4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 159 3.788 -2.074 -5.323 1.00 0.00 H new ATOM 0 HB3 LEU A 159 3.840 -0.529 -6.149 1.00 0.00 H new ATOM 0 HG LEU A 159 5.533 -1.025 -3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 159 7.368 -1.712 -5.196 1.00 0.00 H new ATOM 0 HD12 LEU A 159 6.008 -2.858 -5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 159 6.244 -1.693 -6.576 1.00 0.00 H new ATOM 0 HD21 LEU A 159 6.965 0.682 -4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 159 5.827 0.791 -6.115 1.00 0.00 H new ATOM 0 HD23 LEU A 159 5.311 1.282 -4.484 1.00 0.00 H new ATOM 569 N LYS A 160 1.042 -0.940 -5.595 1.00 0.00 N ATOM 570 CA LYS A 160 -0.248 -1.540 -5.923 1.00 0.00 C ATOM 571 C LYS A 160 -0.215 -3.046 -5.684 1.00 0.00 C ATOM 572 O LYS A 160 -1.235 -3.658 -5.370 1.00 0.00 O ATOM 573 CB LYS A 160 -0.616 -1.248 -7.379 1.00 0.00 C ATOM 574 CG LYS A 160 -2.074 -1.538 -7.705 1.00 0.00 C ATOM 575 CD LYS A 160 -2.829 -0.271 -8.072 1.00 0.00 C ATOM 576 CE LYS A 160 -2.840 0.724 -6.922 1.00 0.00 C ATOM 577 NZ LYS A 160 -2.907 2.131 -7.406 1.00 0.00 N ATOM 0 H LYS A 160 1.450 -0.380 -6.343 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.005 -1.101 -5.273 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -0.404 -0.201 -7.596 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.020 -1.844 -8.033 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -2.128 -2.247 -8.531 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.552 -2.011 -6.847 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -2.368 0.188 -8.947 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -3.853 -0.523 -8.346 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -3.693 0.522 -6.275 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -1.943 0.590 -6.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -2.998 2.774 -6.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -2.039 2.359 -7.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -3.731 2.244 -8.031 1.00 0.00 H new ATOM 591 N GLU A 161 0.969 -3.635 -5.829 1.00 0.00 N ATOM 592 CA GLU A 161 1.140 -5.066 -5.622 1.00 0.00 C ATOM 593 C GLU A 161 1.054 -5.403 -4.138 1.00 0.00 C ATOM 594 O GLU A 161 0.513 -6.440 -3.755 1.00 0.00 O ATOM 595 CB GLU A 161 2.483 -5.529 -6.187 1.00 0.00 C ATOM 596 CG GLU A 161 2.694 -7.032 -6.102 1.00 0.00 C ATOM 597 CD GLU A 161 3.115 -7.641 -7.425 1.00 0.00 C ATOM 598 OE1 GLU A 161 4.270 -7.411 -7.843 1.00 0.00 O ATOM 599 OE2 GLU A 161 2.291 -8.346 -8.044 1.00 0.00 O ATOM 0 H GLU A 161 1.823 -3.141 -6.089 1.00 0.00 H new ATOM 0 HA GLU A 161 0.339 -5.587 -6.147 1.00 0.00 H new ATOM 0 HB2 GLU A 161 2.555 -5.219 -7.229 1.00 0.00 H new ATOM 0 HB3 GLU A 161 3.287 -5.027 -5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 161 3.454 -7.246 -5.350 1.00 0.00 H new ATOM 0 HG3 GLU A 161 1.771 -7.506 -5.766 1.00 0.00 H new ATOM 606 N ASP A 162 1.587 -4.514 -3.303 1.00 0.00 N ATOM 607 CA ASP A 162 1.564 -4.714 -1.862 1.00 0.00 C ATOM 608 C ASP A 162 0.133 -4.669 -1.342 1.00 0.00 C ATOM 609 O ASP A 162 -0.284 -5.530 -0.568 1.00 0.00 O ATOM 610 CB ASP A 162 2.410 -3.650 -1.160 1.00 0.00 C ATOM 611 CG ASP A 162 3.894 -3.938 -1.255 1.00 0.00 C ATOM 612 OD1 ASP A 162 4.282 -5.116 -1.108 1.00 0.00 O ATOM 613 OD2 ASP A 162 4.671 -2.984 -1.476 1.00 0.00 O ATOM 0 H ASP A 162 2.039 -3.650 -3.602 1.00 0.00 H new ATOM 0 HA ASP A 162 1.986 -5.695 -1.646 1.00 0.00 H new ATOM 0 HB2 ASP A 162 2.203 -2.675 -1.601 1.00 0.00 H new ATOM 0 HB3 ASP A 162 2.120 -3.593 -0.111 1.00 0.00 H new ATOM 618 N ILE A 163 -0.620 -3.666 -1.782 1.00 0.00 N ATOM 619 CA ILE A 163 -2.008 -3.525 -1.366 1.00 0.00 C ATOM 620 C ILE A 163 -2.827 -4.719 -1.841 1.00 0.00 C ATOM 621 O ILE A 163 -3.531 -5.354 -1.056 1.00 0.00 O ATOM 622 CB ILE A 163 -2.639 -2.227 -1.911 1.00 0.00 C ATOM 623 CG1 ILE A 163 -1.764 -1.021 -1.561 1.00 0.00 C ATOM 624 CG2 ILE A 163 -4.043 -2.048 -1.349 1.00 0.00 C ATOM 625 CD1 ILE A 163 -1.644 -0.774 -0.073 1.00 0.00 C ATOM 0 H ILE A 163 -0.293 -2.943 -2.423 1.00 0.00 H new ATOM 0 HA ILE A 163 -2.016 -3.480 -0.277 1.00 0.00 H new ATOM 0 HB ILE A 163 -2.706 -2.300 -2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -0.768 -1.172 -1.978 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -2.178 -0.132 -2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -4.477 -1.128 -1.741 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -4.663 -2.896 -1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -3.995 -1.992 -0.262 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -1.010 0.095 0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -2.633 -0.592 0.347 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -1.202 -1.647 0.406 1.00 0.00 H new ATOM 637 N ASP A 164 -2.717 -5.032 -3.130 1.00 0.00 N ATOM 638 CA ASP A 164 -3.436 -6.162 -3.704 1.00 0.00 C ATOM 639 C ASP A 164 -3.075 -7.449 -2.971 1.00 0.00 C ATOM 640 O ASP A 164 -3.899 -8.354 -2.833 1.00 0.00 O ATOM 641 CB ASP A 164 -3.114 -6.299 -5.194 1.00 0.00 C ATOM 642 CG ASP A 164 -4.257 -6.913 -5.979 1.00 0.00 C ATOM 643 OD1 ASP A 164 -5.114 -7.576 -5.358 1.00 0.00 O ATOM 644 OD2 ASP A 164 -4.293 -6.732 -7.213 1.00 0.00 O ATOM 0 H ASP A 164 -2.137 -4.519 -3.794 1.00 0.00 H new ATOM 0 HA ASP A 164 -4.505 -5.982 -3.592 1.00 0.00 H new ATOM 0 HB2 ASP A 164 -2.882 -5.316 -5.604 1.00 0.00 H new ATOM 0 HB3 ASP A 164 -2.222 -6.914 -5.315 1.00 0.00 H new ATOM 649 N ALA A 165 -1.838 -7.514 -2.489 1.00 0.00 N ATOM 650 CA ALA A 165 -1.364 -8.680 -1.754 1.00 0.00 C ATOM 651 C ALA A 165 -1.919 -8.663 -0.339 1.00 0.00 C ATOM 652 O ALA A 165 -2.312 -9.695 0.204 1.00 0.00 O ATOM 653 CB ALA A 165 0.156 -8.715 -1.733 1.00 0.00 C ATOM 0 H ALA A 165 -1.146 -6.772 -2.595 1.00 0.00 H new ATOM 0 HA ALA A 165 -1.717 -9.580 -2.257 1.00 0.00 H new ATOM 0 HB1 ALA A 165 0.492 -9.592 -1.180 1.00 0.00 H new ATOM 0 HB2 ALA A 165 0.533 -8.764 -2.755 1.00 0.00 H new ATOM 0 HB3 ALA A 165 0.534 -7.814 -1.249 1.00 0.00 H new ATOM 659 N PHE A 166 -1.961 -7.472 0.246 1.00 0.00 N ATOM 660 CA PHE A 166 -2.483 -7.293 1.591 1.00 0.00 C ATOM 661 C PHE A 166 -3.954 -7.700 1.642 1.00 0.00 C ATOM 662 O PHE A 166 -4.456 -8.132 2.680 1.00 0.00 O ATOM 663 CB PHE A 166 -2.321 -5.834 2.022 1.00 0.00 C ATOM 664 CG PHE A 166 -2.936 -5.523 3.354 1.00 0.00 C ATOM 665 CD1 PHE A 166 -4.301 -5.322 3.470 1.00 0.00 C ATOM 666 CD2 PHE A 166 -2.149 -5.431 4.488 1.00 0.00 C ATOM 667 CE1 PHE A 166 -4.871 -5.035 4.694 1.00 0.00 C ATOM 668 CE2 PHE A 166 -2.712 -5.145 5.716 1.00 0.00 C ATOM 669 CZ PHE A 166 -4.076 -4.947 5.820 1.00 0.00 C ATOM 0 H PHE A 166 -1.637 -6.612 -0.196 1.00 0.00 H new ATOM 0 HA PHE A 166 -1.922 -7.928 2.277 1.00 0.00 H new ATOM 0 HB2 PHE A 166 -1.259 -5.591 2.057 1.00 0.00 H new ATOM 0 HB3 PHE A 166 -2.770 -5.190 1.266 1.00 0.00 H new ATOM 0 HD1 PHE A 166 -4.927 -5.391 2.593 1.00 0.00 H new ATOM 0 HD2 PHE A 166 -1.083 -5.585 4.412 1.00 0.00 H new ATOM 0 HE1 PHE A 166 -5.937 -4.880 4.771 1.00 0.00 H new ATOM 0 HE2 PHE A 166 -2.087 -5.076 6.594 1.00 0.00 H new ATOM 0 HZ PHE A 166 -4.519 -4.724 6.779 1.00 0.00 H new ATOM 679 N LEU A 167 -4.634 -7.557 0.508 1.00 0.00 N ATOM 680 CA LEU A 167 -6.044 -7.908 0.405 1.00 0.00 C ATOM 681 C LEU A 167 -6.214 -9.407 0.200 1.00 0.00 C ATOM 682 O LEU A 167 -7.018 -10.053 0.873 1.00 0.00 O ATOM 683 CB LEU A 167 -6.692 -7.149 -0.757 1.00 0.00 C ATOM 684 CG LEU A 167 -7.204 -5.743 -0.428 1.00 0.00 C ATOM 685 CD1 LEU A 167 -6.237 -5.010 0.490 1.00 0.00 C ATOM 686 CD2 LEU A 167 -7.424 -4.951 -1.707 1.00 0.00 C ATOM 0 H LEU A 167 -4.227 -7.198 -0.356 1.00 0.00 H new ATOM 0 HA LEU A 167 -6.535 -7.627 1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -5.966 -7.071 -1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -7.526 -7.741 -1.133 1.00 0.00 H new ATOM 0 HG LEU A 167 -8.156 -5.841 0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -6.625 -4.015 0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -6.125 -5.567 1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -5.267 -4.922 0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -7.788 -3.954 -1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -6.483 -4.869 -2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -8.159 -5.461 -2.329 1.00 0.00 H new ATOM 698 N ALA A 168 -5.449 -9.953 -0.738 1.00 0.00 N ATOM 699 CA ALA A 168 -5.509 -11.377 -1.043 1.00 0.00 C ATOM 700 C ALA A 168 -5.038 -12.217 0.141 1.00 0.00 C ATOM 701 O ALA A 168 -5.420 -13.379 0.280 1.00 0.00 O ATOM 702 CB ALA A 168 -4.673 -11.686 -2.275 1.00 0.00 C ATOM 0 H ALA A 168 -4.779 -9.430 -1.301 1.00 0.00 H new ATOM 0 HA ALA A 168 -6.549 -11.635 -1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 168 -4.726 -12.753 -2.492 1.00 0.00 H new ATOM 0 HB2 ALA A 168 -5.057 -11.123 -3.126 1.00 0.00 H new ATOM 0 HB3 ALA A 168 -3.636 -11.404 -2.091 1.00 0.00 H new