USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=6 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 138 TYR OH : rot 180:sc= 0.0886 USER MOD Set 1.2: A 142 LYS NZ :NH3+ 157:sc= 0.288 (180deg=-0.435) USER MOD Single : A 132 MET CE :methyl 171:sc= -0.0838 (180deg=-0.261) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= -0.174 (180deg=-0.174) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 160 LYS NZ :NH3+ -103:sc= 0.761 (180deg=0.0267) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 130 -5.621 3.042 -5.172 1.00 0.00 N ATOM 82 CA ILE A 130 -6.346 3.039 -3.908 1.00 0.00 C ATOM 83 C ILE A 130 -5.420 2.724 -2.744 1.00 0.00 C ATOM 84 O ILE A 130 -4.921 1.606 -2.608 1.00 0.00 O ATOM 85 CB ILE A 130 -7.504 2.027 -3.920 1.00 0.00 C ATOM 86 CG1 ILE A 130 -8.344 2.216 -5.173 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.368 2.193 -2.678 1.00 0.00 C ATOM 88 CD1 ILE A 130 -7.882 1.380 -6.347 1.00 0.00 C ATOM 0 HA ILE A 130 -6.756 4.041 -3.781 1.00 0.00 H new ATOM 0 HB ILE A 130 -7.089 1.019 -3.920 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.380 1.966 -4.946 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -8.325 3.268 -5.457 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.183 1.469 -2.702 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.761 2.027 -1.788 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.780 3.202 -2.653 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.529 1.568 -7.204 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -6.856 1.646 -6.601 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -7.928 0.324 -6.082 1.00 0.00 H new ATOM 100 N ALA A 131 -5.204 3.723 -1.904 1.00 0.00 N ATOM 101 CA ALA A 131 -4.342 3.573 -0.739 1.00 0.00 C ATOM 102 C ALA A 131 -4.454 4.780 0.185 1.00 0.00 C ATOM 103 O ALA A 131 -4.656 5.905 -0.271 1.00 0.00 O ATOM 104 CB ALA A 131 -2.899 3.372 -1.175 1.00 0.00 C ATOM 0 H ALA A 131 -5.615 4.651 -2.006 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.669 2.693 -0.185 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.265 3.261 -0.295 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.826 2.475 -1.790 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.570 4.236 -1.753 1.00 0.00 H new ATOM 110 N MET A 132 -4.318 4.539 1.484 1.00 0.00 N ATOM 111 CA MET A 132 -4.403 5.609 2.471 1.00 0.00 C ATOM 112 C MET A 132 -3.368 6.695 2.182 1.00 0.00 C ATOM 113 O MET A 132 -2.341 6.435 1.556 1.00 0.00 O ATOM 114 CB MET A 132 -4.196 5.047 3.879 1.00 0.00 C ATOM 115 CG MET A 132 -5.492 4.843 4.647 1.00 0.00 C ATOM 116 SD MET A 132 -5.254 4.879 6.434 1.00 0.00 S ATOM 117 CE MET A 132 -5.297 6.643 6.745 1.00 0.00 C ATOM 0 H MET A 132 -4.149 3.613 1.878 1.00 0.00 H new ATOM 0 HA MET A 132 -5.396 6.054 2.409 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.671 4.094 3.808 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.553 5.724 4.441 1.00 0.00 H new ATOM 0 HG2 MET A 132 -6.204 5.618 4.364 1.00 0.00 H new ATOM 0 HG3 MET A 132 -5.932 3.887 4.362 1.00 0.00 H new ATOM 0 HE1 MET A 132 -5.324 6.822 7.820 1.00 0.00 H new ATOM 0 HE2 MET A 132 -4.407 7.109 6.321 1.00 0.00 H new ATOM 0 HE3 MET A 132 -6.186 7.072 6.283 1.00 0.00 H new ATOM 127 N PRO A 133 -3.627 7.934 2.637 1.00 0.00 N ATOM 128 CA PRO A 133 -2.712 9.060 2.424 1.00 0.00 C ATOM 129 C PRO A 133 -1.345 8.823 3.058 1.00 0.00 C ATOM 130 O PRO A 133 -0.345 9.405 2.635 1.00 0.00 O ATOM 131 CB PRO A 133 -3.419 10.241 3.101 1.00 0.00 C ATOM 132 CG PRO A 133 -4.403 9.623 4.035 1.00 0.00 C ATOM 133 CD PRO A 133 -4.824 8.332 3.395 1.00 0.00 C ATOM 0 HA PRO A 133 -2.513 9.222 1.365 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.709 10.871 3.637 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -3.917 10.875 2.367 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -3.955 9.446 5.013 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -5.259 10.279 4.190 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -5.099 7.584 4.138 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.688 8.467 2.744 1.00 0.00 H new ATOM 141 N SER A 134 -1.307 7.967 4.073 1.00 0.00 N ATOM 142 CA SER A 134 -0.061 7.656 4.764 1.00 0.00 C ATOM 143 C SER A 134 0.632 6.454 4.129 1.00 0.00 C ATOM 144 O SER A 134 1.861 6.401 4.053 1.00 0.00 O ATOM 145 CB SER A 134 -0.330 7.380 6.243 1.00 0.00 C ATOM 146 OG SER A 134 -1.360 8.218 6.740 1.00 0.00 O ATOM 0 H SER A 134 -2.124 7.476 4.436 1.00 0.00 H new ATOM 0 HA SER A 134 0.598 8.520 4.675 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.611 6.335 6.376 1.00 0.00 H new ATOM 0 HB3 SER A 134 0.582 7.540 6.818 1.00 0.00 H new ATOM 0 HG SER A 134 -1.514 8.020 7.687 1.00 0.00 H new ATOM 152 N VAL A 135 -0.160 5.487 3.676 1.00 0.00 N ATOM 153 CA VAL A 135 0.386 4.288 3.053 1.00 0.00 C ATOM 154 C VAL A 135 1.107 4.617 1.759 1.00 0.00 C ATOM 155 O VAL A 135 2.200 4.116 1.506 1.00 0.00 O ATOM 156 CB VAL A 135 -0.705 3.248 2.758 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.089 1.984 2.180 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.491 2.942 4.017 1.00 0.00 C ATOM 0 H VAL A 135 -1.178 5.511 3.729 1.00 0.00 H new ATOM 0 HA VAL A 135 1.093 3.868 3.769 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.392 3.658 2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.875 1.257 1.976 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.432 2.224 1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.618 1.564 2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.261 2.204 3.795 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.819 2.547 4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.959 3.855 4.385 1.00 0.00 H new ATOM 168 N ARG A 136 0.497 5.463 0.945 1.00 0.00 N ATOM 169 CA ARG A 136 1.101 5.853 -0.320 1.00 0.00 C ATOM 170 C ARG A 136 2.500 6.402 -0.074 1.00 0.00 C ATOM 171 O ARG A 136 3.392 6.268 -0.911 1.00 0.00 O ATOM 172 CB ARG A 136 0.241 6.905 -1.024 1.00 0.00 C ATOM 173 CG ARG A 136 -0.732 6.320 -2.034 1.00 0.00 C ATOM 174 CD ARG A 136 -1.799 7.328 -2.433 1.00 0.00 C ATOM 175 NE ARG A 136 -1.796 7.590 -3.870 1.00 0.00 N ATOM 176 CZ ARG A 136 -0.935 8.406 -4.474 1.00 0.00 C ATOM 177 NH1 ARG A 136 -0.007 9.042 -3.769 1.00 0.00 N ATOM 178 NH2 ARG A 136 -1.002 8.588 -5.785 1.00 0.00 N ATOM 0 H ARG A 136 -0.409 5.891 1.135 1.00 0.00 H new ATOM 0 HA ARG A 136 1.167 4.975 -0.963 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -0.319 7.465 -0.275 1.00 0.00 H new ATOM 0 HB3 ARG A 136 0.894 7.616 -1.531 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.186 5.997 -2.921 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.207 5.435 -1.612 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.779 6.955 -2.135 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.635 8.261 -1.894 1.00 0.00 H new ATOM 0 HE ARG A 136 -2.495 7.120 -4.445 1.00 0.00 H new ATOM 0 HH11 ARG A 136 0.049 8.906 -2.760 1.00 0.00 H new ATOM 0 HH12 ARG A 136 0.650 9.666 -4.237 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -1.713 8.103 -6.332 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -0.342 9.213 -6.247 1.00 0.00 H new ATOM 192 N LYS A 137 2.685 6.999 1.100 1.00 0.00 N ATOM 193 CA LYS A 137 3.972 7.549 1.489 1.00 0.00 C ATOM 194 C LYS A 137 4.903 6.431 1.928 1.00 0.00 C ATOM 195 O LYS A 137 6.095 6.438 1.620 1.00 0.00 O ATOM 196 CB LYS A 137 3.800 8.565 2.619 1.00 0.00 C ATOM 197 CG LYS A 137 5.101 9.220 3.054 1.00 0.00 C ATOM 198 CD LYS A 137 5.548 10.285 2.063 1.00 0.00 C ATOM 199 CE LYS A 137 7.022 10.144 1.718 1.00 0.00 C ATOM 200 NZ LYS A 137 7.223 9.603 0.345 1.00 0.00 N ATOM 0 H LYS A 137 1.952 7.113 1.800 1.00 0.00 H new ATOM 0 HA LYS A 137 4.408 8.058 0.629 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.104 9.339 2.297 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.349 8.068 3.478 1.00 0.00 H new ATOM 0 HG2 LYS A 137 4.972 9.669 4.039 1.00 0.00 H new ATOM 0 HG3 LYS A 137 5.878 8.461 3.149 1.00 0.00 H new ATOM 0 HD2 LYS A 137 4.952 10.210 1.154 1.00 0.00 H new ATOM 0 HD3 LYS A 137 5.365 11.274 2.483 1.00 0.00 H new ATOM 0 HE2 LYS A 137 7.508 11.116 1.800 1.00 0.00 H new ATOM 0 HE3 LYS A 137 7.503 9.485 2.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 8.241 9.522 0.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 6.781 8.664 0.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 6.787 10.244 -0.348 1.00 0.00 H new ATOM 214 N TYR A 138 4.344 5.473 2.662 1.00 0.00 N ATOM 215 CA TYR A 138 5.118 4.347 3.158 1.00 0.00 C ATOM 216 C TYR A 138 5.618 3.477 2.010 1.00 0.00 C ATOM 217 O TYR A 138 6.799 3.144 1.944 1.00 0.00 O ATOM 218 CB TYR A 138 4.266 3.510 4.104 1.00 0.00 C ATOM 219 CG TYR A 138 4.972 2.267 4.587 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.130 2.354 5.346 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.490 1.009 4.264 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.788 1.217 5.772 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.140 -0.131 4.686 1.00 0.00 C ATOM 224 CZ TYR A 138 6.288 -0.024 5.440 1.00 0.00 C ATOM 225 OH TYR A 138 6.940 -1.160 5.862 1.00 0.00 O ATOM 0 H TYR A 138 3.358 5.457 2.925 1.00 0.00 H new ATOM 0 HA TYR A 138 5.983 4.738 3.694 1.00 0.00 H new ATOM 0 HB2 TYR A 138 3.983 4.118 4.963 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.344 3.224 3.598 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.523 3.325 5.608 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.591 0.920 3.672 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.689 1.300 6.362 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.751 -1.104 4.426 1.00 0.00 H new ATOM 0 HH TYR A 138 6.457 -1.951 5.544 1.00 0.00 H new ATOM 235 N ALA A 139 4.722 3.138 1.089 1.00 0.00 N ATOM 236 CA ALA A 139 5.099 2.340 -0.066 1.00 0.00 C ATOM 237 C ALA A 139 6.039 3.152 -0.931 1.00 0.00 C ATOM 238 O ALA A 139 7.078 2.672 -1.370 1.00 0.00 O ATOM 239 CB ALA A 139 3.872 1.919 -0.862 1.00 0.00 C ATOM 0 H ALA A 139 3.737 3.402 1.121 1.00 0.00 H new ATOM 0 HA ALA A 139 5.598 1.432 0.271 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.182 1.323 -1.721 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.213 1.326 -0.228 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.341 2.806 -1.208 1.00 0.00 H new ATOM 245 N ARG A 140 5.673 4.408 -1.140 1.00 0.00 N ATOM 246 CA ARG A 140 6.490 5.319 -1.928 1.00 0.00 C ATOM 247 C ARG A 140 7.908 5.374 -1.362 1.00 0.00 C ATOM 248 O ARG A 140 8.877 5.556 -2.098 1.00 0.00 O ATOM 249 CB ARG A 140 5.862 6.717 -1.930 1.00 0.00 C ATOM 250 CG ARG A 140 6.723 7.779 -2.597 1.00 0.00 C ATOM 251 CD ARG A 140 6.729 7.622 -4.109 1.00 0.00 C ATOM 252 NE ARG A 140 7.680 8.526 -4.749 1.00 0.00 N ATOM 253 CZ ARG A 140 8.084 8.405 -6.012 1.00 0.00 C ATOM 254 NH1 ARG A 140 7.620 7.422 -6.774 1.00 0.00 N ATOM 255 NH2 ARG A 140 8.952 9.271 -6.515 1.00 0.00 N ATOM 0 H ARG A 140 4.815 4.820 -0.774 1.00 0.00 H new ATOM 0 HA ARG A 140 6.538 4.956 -2.955 1.00 0.00 H new ATOM 0 HB2 ARG A 140 4.899 6.671 -2.439 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.664 7.017 -0.901 1.00 0.00 H new ATOM 0 HG2 ARG A 140 6.350 8.769 -2.334 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.743 7.712 -2.219 1.00 0.00 H new ATOM 0 HD2 ARG A 140 6.979 6.592 -4.366 1.00 0.00 H new ATOM 0 HD3 ARG A 140 5.729 7.814 -4.497 1.00 0.00 H new ATOM 0 HE ARG A 140 8.057 9.296 -4.196 1.00 0.00 H new ATOM 0 HH11 ARG A 140 6.950 6.754 -6.393 1.00 0.00 H new ATOM 0 HH12 ARG A 140 7.933 7.335 -7.741 1.00 0.00 H new ATOM 0 HH21 ARG A 140 9.310 10.030 -5.935 1.00 0.00 H new ATOM 0 HH22 ARG A 140 9.262 9.179 -7.482 1.00 0.00 H new ATOM 269 N GLU A 141 8.015 5.208 -0.044 1.00 0.00 N ATOM 270 CA GLU A 141 9.302 5.229 0.633 1.00 0.00 C ATOM 271 C GLU A 141 9.967 3.862 0.580 1.00 0.00 C ATOM 272 O GLU A 141 11.187 3.754 0.446 1.00 0.00 O ATOM 273 CB GLU A 141 9.119 5.660 2.087 1.00 0.00 C ATOM 274 CG GLU A 141 8.921 7.156 2.261 1.00 0.00 C ATOM 275 CD GLU A 141 10.230 7.904 2.427 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.070 7.840 1.506 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.413 8.554 3.478 1.00 0.00 O ATOM 0 H GLU A 141 7.218 5.057 0.575 1.00 0.00 H new ATOM 0 HA GLU A 141 9.946 5.944 0.121 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.259 5.138 2.506 1.00 0.00 H new ATOM 0 HB3 GLU A 141 9.992 5.349 2.661 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.389 7.551 1.396 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.291 7.336 3.132 1.00 0.00 H new ATOM 284 N LYS A 142 9.154 2.820 0.700 1.00 0.00 N ATOM 285 CA LYS A 142 9.647 1.451 0.683 1.00 0.00 C ATOM 286 C LYS A 142 9.810 0.925 -0.744 1.00 0.00 C ATOM 287 O LYS A 142 9.755 -0.284 -0.974 1.00 0.00 O ATOM 288 CB LYS A 142 8.680 0.558 1.460 1.00 0.00 C ATOM 289 CG LYS A 142 8.617 0.846 2.958 1.00 0.00 C ATOM 290 CD LYS A 142 9.975 1.221 3.531 1.00 0.00 C ATOM 291 CE LYS A 142 9.878 1.583 5.005 1.00 0.00 C ATOM 292 NZ LYS A 142 9.792 0.374 5.870 1.00 0.00 N ATOM 0 H LYS A 142 8.143 2.900 0.811 1.00 0.00 H new ATOM 0 HA LYS A 142 10.631 1.437 1.153 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.681 0.672 1.039 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.970 -0.483 1.315 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.912 1.657 3.141 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.235 -0.032 3.479 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.667 0.388 3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.386 2.064 2.975 1.00 0.00 H new ATOM 0 HE2 LYS A 142 10.748 2.173 5.292 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.001 2.209 5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 10.113 0.611 6.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 8.807 0.042 5.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 10.396 -0.377 5.478 1.00 0.00 H new ATOM 306 N GLY A 143 10.007 1.830 -1.702 1.00 0.00 N ATOM 307 CA GLY A 143 10.171 1.418 -3.087 1.00 0.00 C ATOM 308 C GLY A 143 9.020 0.559 -3.581 1.00 0.00 C ATOM 309 O GLY A 143 9.159 -0.180 -4.556 1.00 0.00 O ATOM 0 H GLY A 143 10.056 2.837 -1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.256 2.303 -3.718 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.104 0.863 -3.189 1.00 0.00 H new ATOM 313 N VAL A 144 7.882 0.661 -2.905 1.00 0.00 N ATOM 314 CA VAL A 144 6.695 -0.102 -3.265 1.00 0.00 C ATOM 315 C VAL A 144 5.621 0.808 -3.851 1.00 0.00 C ATOM 316 O VAL A 144 5.442 1.942 -3.408 1.00 0.00 O ATOM 317 CB VAL A 144 6.119 -0.843 -2.040 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.742 -1.420 -2.344 1.00 0.00 C ATOM 319 CG2 VAL A 144 7.072 -1.936 -1.585 1.00 0.00 C ATOM 0 H VAL A 144 7.757 1.271 -2.097 1.00 0.00 H new ATOM 0 HA VAL A 144 6.995 -0.834 -4.015 1.00 0.00 H new ATOM 0 HB VAL A 144 6.006 -0.122 -1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.361 -1.936 -1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 144 4.061 -0.613 -2.614 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.817 -2.124 -3.173 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.651 -2.449 -0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.219 -2.651 -2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 144 8.030 -1.493 -1.313 1.00 0.00 H new ATOM 329 N ASP A 145 4.903 0.294 -4.839 1.00 0.00 N ATOM 330 CA ASP A 145 3.836 1.042 -5.482 1.00 0.00 C ATOM 331 C ASP A 145 2.498 0.357 -5.242 1.00 0.00 C ATOM 332 O ASP A 145 2.362 -0.848 -5.448 1.00 0.00 O ATOM 333 CB ASP A 145 4.101 1.171 -6.983 1.00 0.00 C ATOM 334 CG ASP A 145 3.241 2.239 -7.632 1.00 0.00 C ATOM 335 OD1 ASP A 145 2.000 2.113 -7.582 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.810 3.202 -8.190 1.00 0.00 O ATOM 0 H ASP A 145 5.043 -0.644 -5.214 1.00 0.00 H new ATOM 0 HA ASP A 145 3.804 2.042 -5.049 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.153 1.407 -7.145 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.912 0.213 -7.466 1.00 0.00 H new ATOM 341 N ILE A 146 1.511 1.130 -4.806 1.00 0.00 N ATOM 342 CA ILE A 146 0.181 0.592 -4.539 1.00 0.00 C ATOM 343 C ILE A 146 -0.336 -0.221 -5.728 1.00 0.00 C ATOM 344 O ILE A 146 -1.200 -1.083 -5.570 1.00 0.00 O ATOM 345 CB ILE A 146 -0.828 1.713 -4.213 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.291 2.614 -3.097 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.169 1.121 -3.810 1.00 0.00 C ATOM 348 CD1 ILE A 146 -0.116 1.898 -1.774 1.00 0.00 C ATOM 0 H ILE A 146 1.605 2.130 -4.630 1.00 0.00 H new ATOM 0 HA ILE A 146 0.274 -0.061 -3.672 1.00 0.00 H new ATOM 0 HB ILE A 146 -0.968 2.317 -5.109 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.668 3.029 -3.406 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -0.972 3.454 -2.959 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.869 1.926 -3.584 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.562 0.519 -4.629 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -2.040 0.494 -2.928 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.267 2.597 -1.030 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -1.078 1.506 -1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.588 1.075 -1.896 1.00 0.00 H new ATOM 360 N ARG A 147 0.205 0.050 -6.914 1.00 0.00 N ATOM 361 CA ARG A 147 -0.202 -0.666 -8.118 1.00 0.00 C ATOM 362 C ARG A 147 0.149 -2.143 -7.999 1.00 0.00 C ATOM 363 O ARG A 147 -0.586 -3.011 -8.472 1.00 0.00 O ATOM 364 CB ARG A 147 0.478 -0.069 -9.351 1.00 0.00 C ATOM 365 CG ARG A 147 -0.080 1.285 -9.759 1.00 0.00 C ATOM 366 CD ARG A 147 -1.168 1.145 -10.811 1.00 0.00 C ATOM 367 NE ARG A 147 -0.629 1.191 -12.167 1.00 0.00 N ATOM 368 CZ ARG A 147 -1.348 0.948 -13.260 1.00 0.00 C ATOM 369 NH1 ARG A 147 -2.635 0.640 -13.160 1.00 0.00 N ATOM 370 NH2 ARG A 147 -0.780 1.012 -14.456 1.00 0.00 N ATOM 0 H ARG A 147 0.924 0.758 -7.065 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.282 -0.566 -8.228 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.545 0.032 -9.154 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.372 -0.762 -10.185 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -0.483 1.793 -8.883 1.00 0.00 H new ATOM 0 HG3 ARG A 147 0.725 1.909 -10.147 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -1.696 0.203 -10.663 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -1.899 1.944 -10.685 1.00 0.00 H new ATOM 0 HE ARG A 147 0.357 1.423 -12.283 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -3.077 0.589 -12.242 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -3.182 0.455 -14.001 1.00 0.00 H new ATOM 0 HH21 ARG A 147 0.209 1.248 -14.539 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -1.332 0.826 -15.293 1.00 0.00 H new ATOM 384 N LEU A 148 1.278 -2.416 -7.358 1.00 0.00 N ATOM 385 CA LEU A 148 1.741 -3.781 -7.162 1.00 0.00 C ATOM 386 C LEU A 148 1.159 -4.378 -5.881 1.00 0.00 C ATOM 387 O LEU A 148 1.436 -5.529 -5.543 1.00 0.00 O ATOM 388 CB LEU A 148 3.270 -3.817 -7.102 1.00 0.00 C ATOM 389 CG LEU A 148 3.979 -2.623 -7.741 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.476 -2.707 -7.508 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.669 -2.551 -9.229 1.00 0.00 C ATOM 0 H LEU A 148 1.893 -1.704 -6.963 1.00 0.00 H new ATOM 0 HA LEU A 148 1.400 -4.378 -8.008 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.574 -3.882 -6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.615 -4.728 -7.592 1.00 0.00 H new ATOM 0 HG LEU A 148 3.610 -1.711 -7.271 1.00 0.00 H new ATOM 0 HD11 LEU A 148 5.965 -1.849 -7.970 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.678 -2.707 -6.437 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.862 -3.626 -7.950 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.182 -1.695 -9.667 1.00 0.00 H new ATOM 0 HD22 LEU A 148 4.008 -3.465 -9.716 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.594 -2.441 -9.372 1.00 0.00 H new ATOM 403 N VAL A 149 0.360 -3.588 -5.168 1.00 0.00 N ATOM 404 CA VAL A 149 -0.246 -4.040 -3.922 1.00 0.00 C ATOM 405 C VAL A 149 -1.769 -4.025 -4.010 1.00 0.00 C ATOM 406 O VAL A 149 -2.367 -3.031 -4.424 1.00 0.00 O ATOM 407 CB VAL A 149 0.194 -3.164 -2.734 1.00 0.00 C ATOM 408 CG1 VAL A 149 -0.113 -3.857 -1.417 1.00 0.00 C ATOM 409 CG2 VAL A 149 1.677 -2.827 -2.834 1.00 0.00 C ATOM 0 H VAL A 149 0.118 -2.633 -5.433 1.00 0.00 H new ATOM 0 HA VAL A 149 0.095 -5.062 -3.759 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.369 -2.231 -2.769 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.205 -3.223 -0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -1.185 -4.040 -1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.421 -4.806 -1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 149 1.967 -2.208 -1.985 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.261 -3.748 -2.828 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.865 -2.284 -3.760 1.00 0.00 H new ATOM 419 N GLN A 150 -2.388 -5.131 -3.614 1.00 0.00 N ATOM 420 CA GLN A 150 -3.842 -5.245 -3.640 1.00 0.00 C ATOM 421 C GLN A 150 -4.444 -4.729 -2.338 1.00 0.00 C ATOM 422 O GLN A 150 -4.425 -5.420 -1.320 1.00 0.00 O ATOM 423 CB GLN A 150 -4.254 -6.702 -3.869 1.00 0.00 C ATOM 424 CG GLN A 150 -4.973 -6.929 -5.188 1.00 0.00 C ATOM 425 CD GLN A 150 -4.163 -7.766 -6.159 1.00 0.00 C ATOM 426 OE1 GLN A 150 -3.665 -7.261 -7.166 1.00 0.00 O ATOM 427 NE2 GLN A 150 -4.026 -9.052 -5.861 1.00 0.00 N ATOM 0 H GLN A 150 -1.906 -5.962 -3.271 1.00 0.00 H new ATOM 0 HA GLN A 150 -4.221 -4.637 -4.462 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -3.365 -7.332 -3.836 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.901 -7.021 -3.052 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -5.926 -7.422 -4.997 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -5.198 -5.965 -5.645 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -4.456 -9.428 -5.016 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -3.491 -9.664 -6.477 1.00 0.00 H new ATOM 436 N GLY A 151 -4.969 -3.509 -2.373 1.00 0.00 N ATOM 437 CA GLY A 151 -5.557 -2.926 -1.187 1.00 0.00 C ATOM 438 C GLY A 151 -6.789 -3.667 -0.714 1.00 0.00 C ATOM 439 O GLY A 151 -7.704 -3.924 -1.494 1.00 0.00 O ATOM 0 H GLY A 151 -4.997 -2.916 -3.202 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.816 -2.916 -0.388 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.820 -1.888 -1.391 1.00 0.00 H new ATOM 443 N THR A 152 -6.809 -4.009 0.570 1.00 0.00 N ATOM 444 CA THR A 152 -7.937 -4.718 1.160 1.00 0.00 C ATOM 445 C THR A 152 -8.581 -3.883 2.266 1.00 0.00 C ATOM 446 O THR A 152 -9.185 -4.423 3.192 1.00 0.00 O ATOM 447 CB THR A 152 -7.480 -6.066 1.719 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.094 -6.043 2.012 1.00 0.00 O ATOM 449 CG2 THR A 152 -7.730 -7.222 0.775 1.00 0.00 C ATOM 0 H THR A 152 -6.053 -3.805 1.224 1.00 0.00 H new ATOM 0 HA THR A 152 -8.679 -4.891 0.380 1.00 0.00 H new ATOM 0 HB THR A 152 -8.073 -6.220 2.621 1.00 0.00 H new ATOM 0 HG1 THR A 152 -5.821 -6.913 2.370 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.382 -8.148 1.233 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.797 -7.298 0.568 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.190 -7.054 -0.157 1.00 0.00 H new ATOM 457 N GLY A 153 -8.434 -2.563 2.172 1.00 0.00 N ATOM 458 CA GLY A 153 -8.994 -1.680 3.181 1.00 0.00 C ATOM 459 C GLY A 153 -10.256 -0.974 2.725 1.00 0.00 C ATOM 460 O GLY A 153 -10.256 -0.274 1.714 1.00 0.00 O ATOM 0 H GLY A 153 -7.938 -2.090 1.416 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.213 -2.258 4.079 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.248 -0.935 3.456 1.00 0.00 H new ATOM 464 N LYS A 154 -11.331 -1.150 3.487 1.00 0.00 N ATOM 465 CA LYS A 154 -12.611 -0.520 3.177 1.00 0.00 C ATOM 466 C LYS A 154 -13.095 -0.884 1.773 1.00 0.00 C ATOM 467 O LYS A 154 -13.888 -1.811 1.603 1.00 0.00 O ATOM 468 CB LYS A 154 -12.501 1.001 3.321 1.00 0.00 C ATOM 469 CG LYS A 154 -13.018 1.525 4.652 1.00 0.00 C ATOM 470 CD LYS A 154 -14.525 1.374 4.765 1.00 0.00 C ATOM 471 CE LYS A 154 -15.240 2.688 4.496 1.00 0.00 C ATOM 472 NZ LYS A 154 -16.705 2.585 4.737 1.00 0.00 N ATOM 0 H LYS A 154 -11.341 -1.727 4.328 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.346 -0.896 3.889 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -11.458 1.294 3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -13.057 1.475 2.512 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -12.536 0.987 5.468 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -12.748 2.575 4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -14.870 0.620 4.058 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -14.782 1.017 5.762 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -14.821 3.466 5.135 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -15.063 2.993 3.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -17.154 3.502 4.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -17.110 1.861 4.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -16.876 2.320 5.728 1.00 0.00 H new ATOM 486 N ASN A 155 -12.626 -0.145 0.768 1.00 0.00 N ATOM 487 CA ASN A 155 -13.028 -0.391 -0.613 1.00 0.00 C ATOM 488 C ASN A 155 -11.859 -0.894 -1.454 1.00 0.00 C ATOM 489 O ASN A 155 -11.736 -0.548 -2.630 1.00 0.00 O ATOM 490 CB ASN A 155 -13.601 0.886 -1.230 1.00 0.00 C ATOM 491 CG ASN A 155 -15.079 1.056 -0.939 1.00 0.00 C ATOM 492 OD1 ASN A 155 -15.920 0.892 -1.824 1.00 0.00 O ATOM 493 ND2 ASN A 155 -15.404 1.386 0.305 1.00 0.00 N ATOM 0 H ASN A 155 -11.969 0.626 0.886 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.795 -1.165 -0.603 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -13.056 1.748 -0.845 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -13.446 0.866 -2.309 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -16.383 1.514 0.559 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -14.674 1.512 1.006 1.00 0.00 H new ATOM 500 N GLY A 156 -11.006 -1.715 -0.852 1.00 0.00 N ATOM 501 CA GLY A 156 -9.866 -2.252 -1.571 1.00 0.00 C ATOM 502 C GLY A 156 -8.637 -1.365 -1.471 1.00 0.00 C ATOM 503 O GLY A 156 -7.781 -1.376 -2.355 1.00 0.00 O ATOM 0 H GLY A 156 -11.083 -2.018 0.119 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.628 -3.241 -1.179 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.132 -2.380 -2.620 1.00 0.00 H new ATOM 507 N ARG A 157 -8.560 -0.590 -0.396 1.00 0.00 N ATOM 508 CA ARG A 157 -7.438 0.320 -0.178 1.00 0.00 C ATOM 509 C ARG A 157 -6.235 -0.411 0.409 1.00 0.00 C ATOM 510 O ARG A 157 -6.383 -1.311 1.236 1.00 0.00 O ATOM 511 CB ARG A 157 -7.869 1.444 0.767 1.00 0.00 C ATOM 512 CG ARG A 157 -7.158 2.765 0.528 1.00 0.00 C ATOM 513 CD ARG A 157 -8.132 3.932 0.580 1.00 0.00 C ATOM 514 NE ARG A 157 -7.573 5.146 -0.009 1.00 0.00 N ATOM 515 CZ ARG A 157 -8.065 6.366 0.198 1.00 0.00 C ATOM 516 NH1 ARG A 157 -9.124 6.537 0.978 1.00 0.00 N ATOM 517 NH2 ARG A 157 -7.497 7.416 -0.378 1.00 0.00 N ATOM 0 H ARG A 157 -9.264 -0.572 0.342 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.143 0.735 -1.142 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.943 1.598 0.664 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.690 1.128 1.795 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -6.380 2.903 1.279 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.663 2.744 -0.443 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -9.047 3.663 0.052 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -8.407 4.127 1.616 1.00 0.00 H new ATOM 0 HE ARG A 157 -6.758 5.054 -0.615 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -9.565 5.732 1.422 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -9.497 7.474 1.133 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -6.683 7.289 -0.980 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -7.874 8.351 -0.220 1.00 0.00 H new ATOM 531 N VAL A 158 -5.039 -0.013 -0.021 1.00 0.00 N ATOM 532 CA VAL A 158 -3.809 -0.627 0.466 1.00 0.00 C ATOM 533 C VAL A 158 -3.392 -0.016 1.799 1.00 0.00 C ATOM 534 O VAL A 158 -3.287 1.202 1.936 1.00 0.00 O ATOM 535 CB VAL A 158 -2.658 -0.490 -0.562 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.292 -0.664 0.095 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.831 -1.501 -1.683 1.00 0.00 C ATOM 0 H VAL A 158 -4.897 0.731 -0.705 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.011 -1.688 0.610 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.703 0.517 -0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.510 -0.561 -0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.158 0.097 0.863 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.230 -1.653 0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -2.016 -1.394 -2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.820 -2.509 -1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.781 -1.326 -2.187 1.00 0.00 H new ATOM 547 N LEU A 159 -3.153 -0.881 2.777 1.00 0.00 N ATOM 548 CA LEU A 159 -2.745 -0.447 4.104 1.00 0.00 C ATOM 549 C LEU A 159 -1.243 -0.605 4.282 1.00 0.00 C ATOM 550 O LEU A 159 -0.586 -1.289 3.498 1.00 0.00 O ATOM 551 CB LEU A 159 -3.482 -1.265 5.166 1.00 0.00 C ATOM 552 CG LEU A 159 -4.994 -1.023 5.252 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.549 -1.575 6.555 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.313 0.460 5.121 1.00 0.00 C ATOM 0 H LEU A 159 -3.236 -1.892 2.673 1.00 0.00 H new ATOM 0 HA LEU A 159 -2.999 0.607 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.311 -2.323 4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.041 -1.047 6.139 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.470 -1.548 4.424 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.623 -1.394 6.599 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.359 -2.647 6.606 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.063 -1.080 7.396 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.391 0.607 5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -4.823 1.010 5.925 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -4.953 0.826 4.159 1.00 0.00 H new ATOM 566 N LYS A 160 -0.696 0.014 5.323 1.00 0.00 N ATOM 567 CA LYS A 160 0.733 -0.092 5.587 1.00 0.00 C ATOM 568 C LYS A 160 1.115 -1.557 5.748 1.00 0.00 C ATOM 569 O LYS A 160 2.209 -1.972 5.365 1.00 0.00 O ATOM 570 CB LYS A 160 1.117 0.698 6.838 1.00 0.00 C ATOM 571 CG LYS A 160 2.607 0.984 6.940 1.00 0.00 C ATOM 572 CD LYS A 160 3.066 1.032 8.388 1.00 0.00 C ATOM 573 CE LYS A 160 4.580 1.115 8.489 1.00 0.00 C ATOM 574 NZ LYS A 160 5.064 2.524 8.446 1.00 0.00 N ATOM 0 H LYS A 160 -1.213 0.587 5.990 1.00 0.00 H new ATOM 0 HA LYS A 160 1.277 0.331 4.743 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.572 1.642 6.843 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.800 0.142 7.721 1.00 0.00 H new ATOM 0 HG2 LYS A 160 3.164 0.214 6.406 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.831 1.934 6.454 1.00 0.00 H new ATOM 0 HD2 LYS A 160 2.619 1.894 8.884 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.713 0.144 8.912 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.908 0.647 9.417 1.00 0.00 H new ATOM 0 HE3 LYS A 160 5.030 0.552 7.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 5.451 2.729 7.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 4.273 3.169 8.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 5.807 2.658 9.162 1.00 0.00 H new ATOM 588 N GLU A 161 0.188 -2.341 6.290 1.00 0.00 N ATOM 589 CA GLU A 161 0.411 -3.766 6.471 1.00 0.00 C ATOM 590 C GLU A 161 0.555 -4.426 5.109 1.00 0.00 C ATOM 591 O GLU A 161 1.362 -5.338 4.926 1.00 0.00 O ATOM 592 CB GLU A 161 -0.745 -4.399 7.247 1.00 0.00 C ATOM 593 CG GLU A 161 -1.037 -3.713 8.571 1.00 0.00 C ATOM 594 CD GLU A 161 -0.232 -4.293 9.718 1.00 0.00 C ATOM 595 OE1 GLU A 161 0.030 -5.514 9.702 1.00 0.00 O ATOM 596 OE2 GLU A 161 0.136 -3.526 10.632 1.00 0.00 O ATOM 0 H GLU A 161 -0.723 -2.011 6.610 1.00 0.00 H new ATOM 0 HA GLU A 161 1.325 -3.914 7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.643 -4.375 6.629 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.515 -5.448 7.434 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.819 -2.649 8.481 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -2.100 -3.803 8.796 1.00 0.00 H new ATOM 603 N ASP A 162 -0.222 -3.935 4.146 1.00 0.00 N ATOM 604 CA ASP A 162 -0.171 -4.453 2.785 1.00 0.00 C ATOM 605 C ASP A 162 1.200 -4.175 2.184 1.00 0.00 C ATOM 606 O ASP A 162 1.849 -5.066 1.635 1.00 0.00 O ATOM 607 CB ASP A 162 -1.261 -3.806 1.928 1.00 0.00 C ATOM 608 CG ASP A 162 -2.579 -4.550 2.003 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.581 -5.779 1.784 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.610 -3.901 2.282 1.00 0.00 O ATOM 0 H ASP A 162 -0.893 -3.180 4.285 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.342 -5.529 2.808 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.410 -2.776 2.253 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -0.928 -3.768 0.891 1.00 0.00 H new ATOM 615 N ILE A 163 1.637 -2.927 2.315 1.00 0.00 N ATOM 616 CA ILE A 163 2.939 -2.500 1.812 1.00 0.00 C ATOM 617 C ILE A 163 4.041 -3.409 2.338 1.00 0.00 C ATOM 618 O ILE A 163 4.815 -3.979 1.568 1.00 0.00 O ATOM 619 CB ILE A 163 3.258 -1.052 2.240 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.104 -0.117 1.885 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.556 -0.573 1.595 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.766 -0.123 0.419 1.00 0.00 C ATOM 0 H ILE A 163 1.103 -2.187 2.770 1.00 0.00 H new ATOM 0 HA ILE A 163 2.896 -2.555 0.724 1.00 0.00 H new ATOM 0 HB ILE A 163 3.388 -1.038 3.322 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.222 -0.406 2.456 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.361 0.898 2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.763 0.450 1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.376 -1.221 1.904 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.457 -0.606 0.510 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.938 0.562 0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.636 0.195 -0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.479 -1.130 0.116 1.00 0.00 H new ATOM 634 N ASP A 164 4.104 -3.541 3.661 1.00 0.00 N ATOM 635 CA ASP A 164 5.107 -4.381 4.301 1.00 0.00 C ATOM 636 C ASP A 164 5.042 -5.804 3.758 1.00 0.00 C ATOM 637 O ASP A 164 6.071 -6.443 3.539 1.00 0.00 O ATOM 638 CB ASP A 164 4.903 -4.390 5.817 1.00 0.00 C ATOM 639 CG ASP A 164 6.197 -4.615 6.573 1.00 0.00 C ATOM 640 OD1 ASP A 164 7.086 -5.309 6.035 1.00 0.00 O ATOM 641 OD2 ASP A 164 6.324 -4.098 7.703 1.00 0.00 O ATOM 0 H ASP A 164 3.470 -3.075 4.310 1.00 0.00 H new ATOM 0 HA ASP A 164 6.091 -3.968 4.079 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.464 -3.442 6.127 1.00 0.00 H new ATOM 0 HB3 ASP A 164 4.191 -5.172 6.080 1.00 0.00 H new ATOM 646 N ALA A 165 3.824 -6.291 3.536 1.00 0.00 N ATOM 647 CA ALA A 165 3.625 -7.634 3.011 1.00 0.00 C ATOM 648 C ALA A 165 4.273 -7.774 1.640 1.00 0.00 C ATOM 649 O ALA A 165 4.847 -8.814 1.315 1.00 0.00 O ATOM 650 CB ALA A 165 2.140 -7.957 2.932 1.00 0.00 C ATOM 0 H ALA A 165 2.962 -5.774 3.712 1.00 0.00 H new ATOM 0 HA ALA A 165 4.099 -8.343 3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 165 2.007 -8.964 2.538 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.701 -7.896 3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.647 -7.242 2.274 1.00 0.00 H new ATOM 656 N TRP A 166 4.185 -6.714 0.842 1.00 0.00 N ATOM 657 CA TRP A 166 4.772 -6.712 -0.494 1.00 0.00 C ATOM 658 C TRP A 166 6.276 -6.946 -0.418 1.00 0.00 C ATOM 659 O TRP A 166 6.804 -7.883 -1.016 1.00 0.00 O ATOM 660 CB TRP A 166 4.492 -5.379 -1.188 1.00 0.00 C ATOM 661 CG TRP A 166 4.753 -5.408 -2.664 1.00 0.00 C ATOM 662 CD1 TRP A 166 5.656 -4.648 -3.350 1.00 0.00 C ATOM 663 CD2 TRP A 166 4.105 -6.237 -3.635 1.00 0.00 C ATOM 664 NE1 TRP A 166 5.609 -4.953 -4.688 1.00 0.00 N ATOM 665 CE2 TRP A 166 4.666 -5.926 -4.889 1.00 0.00 C ATOM 666 CE3 TRP A 166 3.107 -7.214 -3.568 1.00 0.00 C ATOM 667 CZ2 TRP A 166 4.261 -6.555 -6.063 1.00 0.00 C ATOM 668 CZ3 TRP A 166 2.706 -7.837 -4.735 1.00 0.00 C ATOM 669 CH2 TRP A 166 3.282 -7.507 -5.967 1.00 0.00 C ATOM 0 H TRP A 166 3.713 -5.846 1.097 1.00 0.00 H new ATOM 0 HA TRP A 166 4.320 -7.519 -1.070 1.00 0.00 H new ATOM 0 HB2 TRP A 166 3.452 -5.100 -1.016 1.00 0.00 H new ATOM 0 HB3 TRP A 166 5.109 -4.604 -0.733 1.00 0.00 H new ATOM 0 HD1 TRP A 166 6.312 -3.914 -2.905 1.00 0.00 H new ATOM 0 HE1 TRP A 166 6.183 -4.525 -5.414 1.00 0.00 H new ATOM 0 HE3 TRP A 166 2.658 -7.477 -2.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 4.703 -6.301 -7.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 1.935 -8.592 -4.695 1.00 0.00 H new ATOM 0 HH2 TRP A 166 2.947 -8.014 -6.860 1.00 0.00 H new ATOM 680 N LEU A 167 6.957 -6.082 0.327 1.00 0.00 N ATOM 681 CA LEU A 167 8.402 -6.182 0.493 1.00 0.00 C ATOM 682 C LEU A 167 8.779 -7.459 1.239 1.00 0.00 C ATOM 683 O LEU A 167 9.845 -8.030 1.013 1.00 0.00 O ATOM 684 CB LEU A 167 8.930 -4.962 1.249 1.00 0.00 C ATOM 685 CG LEU A 167 8.541 -3.612 0.642 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.938 -2.700 1.699 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.746 -2.951 -0.011 1.00 0.00 C ATOM 0 H LEU A 167 6.530 -5.302 0.827 1.00 0.00 H new ATOM 0 HA LEU A 167 8.856 -6.216 -0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.564 -5.002 2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 167 10.017 -5.024 1.295 1.00 0.00 H new ATOM 0 HG LEU A 167 7.788 -3.788 -0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.669 -1.746 1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 167 7.047 -3.167 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.666 -2.532 2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.449 -1.993 -0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.523 -2.791 0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 167 10.131 -3.595 -0.801 1.00 0.00 H new ATOM 699 N ALA A 168 7.896 -7.899 2.128 1.00 0.00 N ATOM 700 CA ALA A 168 8.135 -9.107 2.909 1.00 0.00 C ATOM 701 C ALA A 168 8.086 -10.352 2.028 1.00 0.00 C ATOM 702 O ALA A 168 8.685 -11.377 2.353 1.00 0.00 O ATOM 703 CB ALA A 168 7.117 -9.216 4.035 1.00 0.00 C ATOM 0 H ALA A 168 7.008 -7.437 2.326 1.00 0.00 H new ATOM 0 HA ALA A 168 9.134 -9.039 3.340 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.307 -10.122 4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.202 -8.347 4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.112 -9.257 3.614 1.00 0.00 H new