USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 323 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 132 MET CE :methyl 162:sc= 0 (180deg=-0.294) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ -175:sc= -0.431 (180deg=-0.541) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN : amide:sc= -0.0003 X(o=-0.0003,f=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 130 -5.174 3.080 -4.989 1.00 0.00 N ATOM 82 CA ILE A 130 -5.989 3.194 -3.789 1.00 0.00 C ATOM 83 C ILE A 130 -5.171 2.849 -2.553 1.00 0.00 C ATOM 84 O ILE A 130 -4.770 1.702 -2.356 1.00 0.00 O ATOM 85 CB ILE A 130 -7.229 2.283 -3.859 1.00 0.00 C ATOM 86 CG1 ILE A 130 -7.995 2.549 -5.152 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.128 2.509 -2.652 1.00 0.00 C ATOM 88 CD1 ILE A 130 -7.656 1.585 -6.267 1.00 0.00 C ATOM 0 HA ILE A 130 -6.327 4.228 -3.722 1.00 0.00 H new ATOM 0 HB ILE A 130 -6.902 1.243 -3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.064 2.494 -4.949 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -7.786 3.565 -5.486 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -8.999 1.857 -2.719 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.576 2.284 -1.740 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.455 3.549 -2.631 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.238 1.835 -7.154 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -6.593 1.656 -6.499 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -7.892 0.568 -5.953 1.00 0.00 H new ATOM 100 N ALA A 131 -4.922 3.856 -1.728 1.00 0.00 N ATOM 101 CA ALA A 131 -4.142 3.676 -0.510 1.00 0.00 C ATOM 102 C ALA A 131 -4.259 4.894 0.398 1.00 0.00 C ATOM 103 O ALA A 131 -4.425 6.018 -0.075 1.00 0.00 O ATOM 104 CB ALA A 131 -2.685 3.408 -0.852 1.00 0.00 C ATOM 0 H ALA A 131 -5.250 4.810 -1.880 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.541 2.815 0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.114 3.276 0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.614 2.504 -1.457 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.281 4.252 -1.411 1.00 0.00 H new ATOM 110 N MET A 132 -4.172 4.666 1.705 1.00 0.00 N ATOM 111 CA MET A 132 -4.267 5.749 2.677 1.00 0.00 C ATOM 112 C MET A 132 -3.217 6.823 2.399 1.00 0.00 C ATOM 113 O MET A 132 -2.205 6.559 1.749 1.00 0.00 O ATOM 114 CB MET A 132 -4.097 5.203 4.097 1.00 0.00 C ATOM 115 CG MET A 132 -5.399 5.126 4.879 1.00 0.00 C ATOM 116 SD MET A 132 -5.145 5.220 6.661 1.00 0.00 S ATOM 117 CE MET A 132 -4.519 3.576 7.000 1.00 0.00 C ATOM 0 H MET A 132 -4.036 3.742 2.115 1.00 0.00 H new ATOM 0 HA MET A 132 -5.254 6.202 2.587 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.655 4.208 4.044 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.394 5.836 4.639 1.00 0.00 H new ATOM 0 HG2 MET A 132 -6.055 5.938 4.566 1.00 0.00 H new ATOM 0 HG3 MET A 132 -5.909 4.193 4.637 1.00 0.00 H new ATOM 0 HE1 MET A 132 -4.021 3.569 7.969 1.00 0.00 H new ATOM 0 HE2 MET A 132 -5.347 2.867 7.012 1.00 0.00 H new ATOM 0 HE3 MET A 132 -3.808 3.290 6.225 1.00 0.00 H new ATOM 127 N PRO A 133 -3.445 8.053 2.888 1.00 0.00 N ATOM 128 CA PRO A 133 -2.511 9.167 2.687 1.00 0.00 C ATOM 129 C PRO A 133 -1.135 8.884 3.281 1.00 0.00 C ATOM 130 O PRO A 133 -0.132 9.448 2.844 1.00 0.00 O ATOM 131 CB PRO A 133 -3.178 10.342 3.416 1.00 0.00 C ATOM 132 CG PRO A 133 -4.160 9.717 4.347 1.00 0.00 C ATOM 133 CD PRO A 133 -4.621 8.456 3.674 1.00 0.00 C ATOM 0 HA PRO A 133 -2.333 9.357 1.629 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.443 10.936 3.959 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -3.673 11.012 2.713 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -3.700 9.499 5.311 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -4.998 10.387 4.538 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.904 7.692 4.398 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.490 8.631 3.040 1.00 0.00 H new ATOM 141 N SER A 134 -1.095 8.006 4.279 1.00 0.00 N ATOM 142 CA SER A 134 0.159 7.650 4.931 1.00 0.00 C ATOM 143 C SER A 134 0.802 6.443 4.255 1.00 0.00 C ATOM 144 O SER A 134 2.026 6.320 4.217 1.00 0.00 O ATOM 145 CB SER A 134 -0.079 7.351 6.412 1.00 0.00 C ATOM 146 OG SER A 134 -1.001 8.269 6.976 1.00 0.00 O ATOM 0 H SER A 134 -1.916 7.529 4.653 1.00 0.00 H new ATOM 0 HA SER A 134 0.838 8.498 4.842 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.457 6.335 6.525 1.00 0.00 H new ATOM 0 HB3 SER A 134 0.866 7.401 6.953 1.00 0.00 H new ATOM 0 HG SER A 134 -1.138 8.056 7.923 1.00 0.00 H new ATOM 152 N VAL A 135 -0.030 5.552 3.725 1.00 0.00 N ATOM 153 CA VAL A 135 0.464 4.354 3.056 1.00 0.00 C ATOM 154 C VAL A 135 1.168 4.698 1.758 1.00 0.00 C ATOM 155 O VAL A 135 2.247 4.182 1.472 1.00 0.00 O ATOM 156 CB VAL A 135 -0.667 3.363 2.752 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.103 2.087 2.146 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.457 3.067 4.012 1.00 0.00 C ATOM 0 H VAL A 135 -1.046 5.637 3.746 1.00 0.00 H new ATOM 0 HA VAL A 135 1.170 3.889 3.744 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.344 3.811 2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.917 1.393 1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.420 2.324 1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.593 1.628 2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.257 2.363 3.783 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.796 2.634 4.763 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.887 3.991 4.397 1.00 0.00 H new ATOM 168 N ARG A 136 0.558 5.573 0.974 1.00 0.00 N ATOM 169 CA ARG A 136 1.146 5.977 -0.294 1.00 0.00 C ATOM 170 C ARG A 136 2.560 6.490 -0.059 1.00 0.00 C ATOM 171 O ARG A 136 3.443 6.327 -0.899 1.00 0.00 O ATOM 172 CB ARG A 136 0.299 7.065 -0.956 1.00 0.00 C ATOM 173 CG ARG A 136 -1.155 6.670 -1.156 1.00 0.00 C ATOM 174 CD ARG A 136 -2.053 7.891 -1.285 1.00 0.00 C ATOM 175 NE ARG A 136 -2.152 8.357 -2.668 1.00 0.00 N ATOM 176 CZ ARG A 136 -1.300 9.214 -3.227 1.00 0.00 C ATOM 177 NH1 ARG A 136 -0.282 9.705 -2.531 1.00 0.00 N ATOM 178 NH2 ARG A 136 -1.467 9.584 -4.490 1.00 0.00 N ATOM 0 H ARG A 136 -0.336 6.014 1.190 1.00 0.00 H new ATOM 0 HA ARG A 136 1.179 5.114 -0.958 1.00 0.00 H new ATOM 0 HB2 ARG A 136 0.341 7.967 -0.346 1.00 0.00 H new ATOM 0 HB3 ARG A 136 0.735 7.314 -1.923 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -1.246 6.054 -2.051 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.486 6.061 -0.315 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -3.048 7.650 -0.912 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.664 8.694 -0.659 1.00 0.00 H new ATOM 0 HE ARG A 136 -2.920 8.004 -3.239 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -0.147 9.426 -1.559 1.00 0.00 H new ATOM 0 HH12 ARG A 136 0.365 10.361 -2.968 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -2.247 9.212 -5.031 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -0.815 10.240 -4.920 1.00 0.00 H new ATOM 192 N LYS A 137 2.765 7.090 1.110 1.00 0.00 N ATOM 193 CA LYS A 137 4.069 7.610 1.488 1.00 0.00 C ATOM 194 C LYS A 137 4.979 6.476 1.931 1.00 0.00 C ATOM 195 O LYS A 137 6.177 6.475 1.647 1.00 0.00 O ATOM 196 CB LYS A 137 3.929 8.640 2.612 1.00 0.00 C ATOM 197 CG LYS A 137 5.235 9.333 2.966 1.00 0.00 C ATOM 198 CD LYS A 137 5.479 10.551 2.086 1.00 0.00 C ATOM 199 CE LYS A 137 6.851 10.503 1.434 1.00 0.00 C ATOM 200 NZ LYS A 137 6.984 9.349 0.503 1.00 0.00 N ATOM 0 H LYS A 137 2.039 7.227 1.813 1.00 0.00 H new ATOM 0 HA LYS A 137 4.511 8.099 0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.197 9.391 2.316 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.537 8.145 3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 137 5.214 9.638 4.012 1.00 0.00 H new ATOM 0 HG3 LYS A 137 6.062 8.631 2.855 1.00 0.00 H new ATOM 0 HD2 LYS A 137 4.710 10.603 1.315 1.00 0.00 H new ATOM 0 HD3 LYS A 137 5.392 11.457 2.685 1.00 0.00 H new ATOM 0 HE2 LYS A 137 7.027 11.431 0.889 1.00 0.00 H new ATOM 0 HE3 LYS A 137 7.618 10.437 2.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 7.959 9.303 0.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 6.759 8.468 1.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 6.327 9.469 -0.294 1.00 0.00 H new ATOM 214 N TYR A 138 4.398 5.512 2.643 1.00 0.00 N ATOM 215 CA TYR A 138 5.159 4.376 3.140 1.00 0.00 C ATOM 216 C TYR A 138 5.657 3.507 1.991 1.00 0.00 C ATOM 217 O TYR A 138 6.837 3.166 1.930 1.00 0.00 O ATOM 218 CB TYR A 138 4.291 3.546 4.076 1.00 0.00 C ATOM 219 CG TYR A 138 4.981 2.296 4.561 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.153 2.369 5.300 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.469 1.043 4.262 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.794 1.224 5.729 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.101 -0.102 4.688 1.00 0.00 C ATOM 224 CZ TYR A 138 6.265 -0.010 5.421 1.00 0.00 C ATOM 225 OH TYR A 138 6.900 -1.155 5.846 1.00 0.00 O ATOM 0 H TYR A 138 3.407 5.498 2.886 1.00 0.00 H new ATOM 0 HA TYR A 138 6.025 4.754 3.683 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.006 4.154 4.934 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.371 3.271 3.561 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.570 3.335 5.543 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.559 0.965 3.685 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.706 1.295 6.303 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.687 -1.070 4.449 1.00 0.00 H new ATOM 0 HH TYR A 138 6.396 -1.940 5.545 1.00 0.00 H new ATOM 235 N ALA A 139 4.764 3.180 1.064 1.00 0.00 N ATOM 236 CA ALA A 139 5.140 2.388 -0.094 1.00 0.00 C ATOM 237 C ALA A 139 6.093 3.200 -0.947 1.00 0.00 C ATOM 238 O ALA A 139 7.136 2.717 -1.381 1.00 0.00 O ATOM 239 CB ALA A 139 3.912 1.985 -0.898 1.00 0.00 C ATOM 0 H ALA A 139 3.781 3.451 1.094 1.00 0.00 H new ATOM 0 HA ALA A 139 5.630 1.472 0.236 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.220 1.393 -1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.245 1.394 -0.271 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.391 2.879 -1.240 1.00 0.00 H new ATOM 245 N ARG A 140 5.733 4.460 -1.154 1.00 0.00 N ATOM 246 CA ARG A 140 6.555 5.375 -1.924 1.00 0.00 C ATOM 247 C ARG A 140 7.969 5.431 -1.351 1.00 0.00 C ATOM 248 O ARG A 140 8.940 5.625 -2.082 1.00 0.00 O ATOM 249 CB ARG A 140 5.924 6.766 -1.908 1.00 0.00 C ATOM 250 CG ARG A 140 6.739 7.822 -2.632 1.00 0.00 C ATOM 251 CD ARG A 140 5.835 8.878 -3.238 1.00 0.00 C ATOM 252 NE ARG A 140 6.504 9.633 -4.295 1.00 0.00 N ATOM 253 CZ ARG A 140 6.673 9.183 -5.536 1.00 0.00 C ATOM 254 NH1 ARG A 140 6.226 7.981 -5.880 1.00 0.00 N ATOM 255 NH2 ARG A 140 7.289 9.937 -6.436 1.00 0.00 N ATOM 0 H ARG A 140 4.871 4.871 -0.795 1.00 0.00 H new ATOM 0 HA ARG A 140 6.615 5.019 -2.953 1.00 0.00 H new ATOM 0 HB2 ARG A 140 4.935 6.710 -2.363 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.782 7.077 -0.873 1.00 0.00 H new ATOM 0 HG2 ARG A 140 7.437 8.289 -1.937 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.335 7.354 -3.415 1.00 0.00 H new ATOM 0 HD2 ARG A 140 4.942 8.401 -3.643 1.00 0.00 H new ATOM 0 HD3 ARG A 140 5.504 9.563 -2.457 1.00 0.00 H new ATOM 0 HE ARG A 140 6.863 10.560 -4.068 1.00 0.00 H new ATOM 0 HH11 ARG A 140 5.750 7.398 -5.192 1.00 0.00 H new ATOM 0 HH12 ARG A 140 6.358 7.641 -6.833 1.00 0.00 H new ATOM 0 HH21 ARG A 140 7.633 10.862 -6.177 1.00 0.00 H new ATOM 0 HH22 ARG A 140 7.419 9.592 -7.387 1.00 0.00 H new ATOM 269 N GLU A 141 8.072 5.253 -0.036 1.00 0.00 N ATOM 270 CA GLU A 141 9.358 5.279 0.644 1.00 0.00 C ATOM 271 C GLU A 141 10.031 3.917 0.574 1.00 0.00 C ATOM 272 O GLU A 141 11.243 3.816 0.395 1.00 0.00 O ATOM 273 CB GLU A 141 9.172 5.691 2.104 1.00 0.00 C ATOM 274 CG GLU A 141 9.001 7.188 2.299 1.00 0.00 C ATOM 275 CD GLU A 141 10.291 7.874 2.708 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.370 7.412 2.281 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.222 8.874 3.454 1.00 0.00 O ATOM 0 H GLU A 141 7.275 5.089 0.579 1.00 0.00 H new ATOM 0 HA GLU A 141 9.995 6.008 0.144 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.299 5.179 2.508 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.034 5.355 2.680 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.636 7.632 1.373 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.241 7.367 3.060 1.00 0.00 H new ATOM 284 N LYS A 142 9.229 2.869 0.720 1.00 0.00 N ATOM 285 CA LYS A 142 9.734 1.507 0.679 1.00 0.00 C ATOM 286 C LYS A 142 9.946 1.028 -0.758 1.00 0.00 C ATOM 287 O LYS A 142 10.189 -0.155 -0.991 1.00 0.00 O ATOM 288 CB LYS A 142 8.749 0.584 1.399 1.00 0.00 C ATOM 289 CG LYS A 142 8.653 0.821 2.903 1.00 0.00 C ATOM 290 CD LYS A 142 10.005 1.146 3.519 1.00 0.00 C ATOM 291 CE LYS A 142 9.887 1.413 5.008 1.00 0.00 C ATOM 292 NZ LYS A 142 11.221 1.540 5.657 1.00 0.00 N ATOM 0 H LYS A 142 8.222 2.940 0.868 1.00 0.00 H new ATOM 0 HA LYS A 142 10.702 1.483 1.179 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.760 0.712 0.959 1.00 0.00 H new ATOM 0 HB3 LYS A 142 9.044 -0.451 1.224 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.961 1.640 3.097 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.240 -0.066 3.384 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.692 0.317 3.350 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.431 2.019 3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 142 9.317 2.328 5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.330 0.603 5.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 11.097 1.722 6.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.756 0.658 5.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.743 2.329 5.225 1.00 0.00 H new ATOM 306 N GLY A 143 9.850 1.943 -1.722 1.00 0.00 N ATOM 307 CA GLY A 143 10.033 1.568 -3.113 1.00 0.00 C ATOM 308 C GLY A 143 8.880 0.736 -3.648 1.00 0.00 C ATOM 309 O GLY A 143 8.948 0.205 -4.757 1.00 0.00 O ATOM 0 H GLY A 143 9.650 2.931 -1.565 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.138 2.469 -3.718 1.00 0.00 H new ATOM 0 HA3 GLY A 143 10.961 1.005 -3.215 1.00 0.00 H new ATOM 313 N VAL A 144 7.817 0.628 -2.857 1.00 0.00 N ATOM 314 CA VAL A 144 6.638 -0.135 -3.243 1.00 0.00 C ATOM 315 C VAL A 144 5.573 0.781 -3.833 1.00 0.00 C ATOM 316 O VAL A 144 5.391 1.913 -3.384 1.00 0.00 O ATOM 317 CB VAL A 144 6.047 -0.887 -2.031 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.669 -1.452 -2.350 1.00 0.00 C ATOM 319 CG2 VAL A 144 6.991 -1.990 -1.580 1.00 0.00 C ATOM 0 H VAL A 144 7.750 1.064 -1.937 1.00 0.00 H new ATOM 0 HA VAL A 144 6.947 -0.860 -3.996 1.00 0.00 H new ATOM 0 HB VAL A 144 5.931 -0.174 -1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.279 -1.976 -1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 144 3.995 -0.638 -2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.745 -2.147 -3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.560 -2.511 -0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.142 -2.696 -2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 144 7.949 -1.555 -1.295 1.00 0.00 H new ATOM 329 N ASP A 145 4.862 0.277 -4.834 1.00 0.00 N ATOM 330 CA ASP A 145 3.804 1.036 -5.476 1.00 0.00 C ATOM 331 C ASP A 145 2.466 0.352 -5.250 1.00 0.00 C ATOM 332 O ASP A 145 2.324 -0.848 -5.485 1.00 0.00 O ATOM 333 CB ASP A 145 4.080 1.179 -6.975 1.00 0.00 C ATOM 334 CG ASP A 145 3.214 2.243 -7.623 1.00 0.00 C ATOM 335 OD1 ASP A 145 2.016 2.322 -7.281 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.736 2.997 -8.471 1.00 0.00 O ATOM 0 H ASP A 145 5.002 -0.658 -5.218 1.00 0.00 H new ATOM 0 HA ASP A 145 3.772 2.033 -5.036 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.130 1.427 -7.126 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.905 0.222 -7.467 1.00 0.00 H new ATOM 341 N ILE A 146 1.487 1.117 -4.788 1.00 0.00 N ATOM 342 CA ILE A 146 0.157 0.581 -4.525 1.00 0.00 C ATOM 343 C ILE A 146 -0.375 -0.192 -5.732 1.00 0.00 C ATOM 344 O ILE A 146 -1.244 -1.053 -5.595 1.00 0.00 O ATOM 345 CB ILE A 146 -0.838 1.701 -4.160 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.266 2.587 -3.049 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.172 1.110 -3.729 1.00 0.00 C ATOM 348 CD1 ILE A 146 -0.038 1.853 -1.745 1.00 0.00 C ATOM 0 H ILE A 146 1.588 2.112 -4.587 1.00 0.00 H new ATOM 0 HA ILE A 146 0.251 -0.099 -3.678 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.001 2.316 -5.045 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.679 3.013 -3.386 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -0.947 3.420 -2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.862 1.915 -3.475 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.589 0.519 -4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -2.023 0.472 -2.858 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.368 2.543 -1.005 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.984 1.450 -1.384 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.667 1.037 -1.905 1.00 0.00 H new ATOM 360 N ARG A 147 0.160 0.110 -6.913 1.00 0.00 N ATOM 361 CA ARG A 147 -0.263 -0.568 -8.134 1.00 0.00 C ATOM 362 C ARG A 147 0.086 -2.048 -8.068 1.00 0.00 C ATOM 363 O ARG A 147 -0.644 -2.895 -8.581 1.00 0.00 O ATOM 364 CB ARG A 147 0.397 0.073 -9.356 1.00 0.00 C ATOM 365 CG ARG A 147 -0.325 1.314 -9.856 1.00 0.00 C ATOM 366 CD ARG A 147 0.652 2.364 -10.359 1.00 0.00 C ATOM 367 NE ARG A 147 0.930 2.213 -11.786 1.00 0.00 N ATOM 368 CZ ARG A 147 0.023 2.402 -12.742 1.00 0.00 C ATOM 369 NH1 ARG A 147 -1.220 2.745 -12.428 1.00 0.00 N ATOM 370 NH2 ARG A 147 0.360 2.247 -14.014 1.00 0.00 N ATOM 0 H ARG A 147 0.883 0.816 -7.049 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.344 -0.467 -8.226 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.425 0.336 -9.107 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.442 -0.660 -10.161 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -1.010 1.039 -10.658 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.929 1.734 -9.051 1.00 0.00 H new ATOM 0 HD2 ARG A 147 0.245 3.358 -10.172 1.00 0.00 H new ATOM 0 HD3 ARG A 147 1.584 2.291 -9.798 1.00 0.00 H new ATOM 0 HE ARG A 147 1.874 1.947 -12.066 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -1.484 2.865 -11.450 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -1.911 2.889 -13.164 1.00 0.00 H new ATOM 0 HH21 ARG A 147 1.314 1.983 -14.260 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -0.335 2.392 -14.747 1.00 0.00 H new ATOM 384 N LEU A 148 1.208 -2.348 -7.426 1.00 0.00 N ATOM 385 CA LEU A 148 1.666 -3.720 -7.278 1.00 0.00 C ATOM 386 C LEU A 148 1.075 -4.362 -6.023 1.00 0.00 C ATOM 387 O LEU A 148 1.322 -5.533 -5.743 1.00 0.00 O ATOM 388 CB LEU A 148 3.193 -3.766 -7.211 1.00 0.00 C ATOM 389 CG LEU A 148 3.912 -2.549 -7.794 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.410 -2.663 -7.582 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.588 -2.398 -9.273 1.00 0.00 C ATOM 0 H LEU A 148 1.820 -1.653 -6.998 1.00 0.00 H new ATOM 0 HA LEU A 148 1.327 -4.283 -8.148 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.491 -3.878 -6.168 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.536 -4.656 -7.738 1.00 0.00 H new ATOM 0 HG LEU A 148 3.561 -1.658 -7.273 1.00 0.00 H new ATOM 0 HD11 LEU A 148 5.905 -1.788 -8.003 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.623 -2.721 -6.515 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.780 -3.562 -8.075 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.108 -1.527 -9.672 1.00 0.00 H new ATOM 0 HD22 LEU A 148 3.911 -3.291 -9.809 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.513 -2.268 -9.399 1.00 0.00 H new ATOM 403 N VAL A 149 0.301 -3.586 -5.265 1.00 0.00 N ATOM 404 CA VAL A 149 -0.308 -4.086 -4.040 1.00 0.00 C ATOM 405 C VAL A 149 -1.828 -4.115 -4.147 1.00 0.00 C ATOM 406 O VAL A 149 -2.442 -3.191 -4.681 1.00 0.00 O ATOM 407 CB VAL A 149 0.090 -3.226 -2.825 1.00 0.00 C ATOM 408 CG1 VAL A 149 -0.273 -3.933 -1.529 1.00 0.00 C ATOM 409 CG2 VAL A 149 1.575 -2.892 -2.864 1.00 0.00 C ATOM 0 H VAL A 149 0.083 -2.613 -5.479 1.00 0.00 H new ATOM 0 HA VAL A 149 0.061 -5.102 -3.899 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.467 -2.290 -2.870 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.016 -3.311 -0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -1.348 -4.110 -1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.253 -4.886 -1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 149 1.834 -2.284 -1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.156 -3.814 -2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.800 -2.338 -3.776 1.00 0.00 H new ATOM 419 N GLN A 150 -2.431 -5.180 -3.630 1.00 0.00 N ATOM 420 CA GLN A 150 -3.879 -5.331 -3.659 1.00 0.00 C ATOM 421 C GLN A 150 -4.489 -4.905 -2.328 1.00 0.00 C ATOM 422 O GLN A 150 -4.626 -5.715 -1.410 1.00 0.00 O ATOM 423 CB GLN A 150 -4.256 -6.782 -3.968 1.00 0.00 C ATOM 424 CG GLN A 150 -5.415 -6.916 -4.942 1.00 0.00 C ATOM 425 CD GLN A 150 -5.979 -8.323 -4.987 1.00 0.00 C ATOM 426 OE1 GLN A 150 -5.236 -9.300 -5.075 1.00 0.00 O ATOM 427 NE2 GLN A 150 -7.301 -8.432 -4.926 1.00 0.00 N ATOM 0 H GLN A 150 -1.937 -5.953 -3.185 1.00 0.00 H new ATOM 0 HA GLN A 150 -4.275 -4.688 -4.445 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -3.386 -7.295 -4.379 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.514 -7.287 -3.037 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -6.205 -6.221 -4.659 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -5.081 -6.630 -5.940 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -7.879 -7.595 -4.854 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -7.739 -9.353 -4.952 1.00 0.00 H new ATOM 436 N GLY A 151 -4.846 -3.630 -2.226 1.00 0.00 N ATOM 437 CA GLY A 151 -5.429 -3.119 -1.001 1.00 0.00 C ATOM 438 C GLY A 151 -6.686 -3.861 -0.596 1.00 0.00 C ATOM 439 O GLY A 151 -7.559 -4.111 -1.424 1.00 0.00 O ATOM 0 H GLY A 151 -4.742 -2.941 -2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.696 -3.190 -0.198 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.661 -2.062 -1.128 1.00 0.00 H new ATOM 443 N THR A 152 -6.774 -4.213 0.684 1.00 0.00 N ATOM 444 CA THR A 152 -7.933 -4.929 1.206 1.00 0.00 C ATOM 445 C THR A 152 -8.645 -4.109 2.281 1.00 0.00 C ATOM 446 O THR A 152 -9.300 -4.665 3.163 1.00 0.00 O ATOM 447 CB THR A 152 -7.504 -6.281 1.780 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.132 -6.268 2.124 1.00 0.00 O ATOM 449 CG2 THR A 152 -7.728 -7.434 0.825 1.00 0.00 C ATOM 0 H THR A 152 -6.055 -4.013 1.379 1.00 0.00 H new ATOM 0 HA THR A 152 -8.628 -5.093 0.383 1.00 0.00 H new ATOM 0 HB THR A 152 -8.129 -6.432 2.660 1.00 0.00 H new ATOM 0 HG1 THR A 152 -5.878 -7.141 2.491 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.403 -8.363 1.294 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.788 -7.503 0.580 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.155 -7.268 -0.087 1.00 0.00 H new ATOM 457 N GLY A 153 -8.505 -2.787 2.212 1.00 0.00 N ATOM 458 CA GLY A 153 -9.134 -1.925 3.198 1.00 0.00 C ATOM 459 C GLY A 153 -10.357 -1.202 2.665 1.00 0.00 C ATOM 460 O GLY A 153 -10.297 -0.541 1.630 1.00 0.00 O ATOM 0 H GLY A 153 -7.969 -2.299 1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.421 -2.522 4.063 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.408 -1.190 3.545 1.00 0.00 H new ATOM 464 N LYS A 154 -11.467 -1.320 3.386 1.00 0.00 N ATOM 465 CA LYS A 154 -12.716 -0.670 2.999 1.00 0.00 C ATOM 466 C LYS A 154 -13.132 -1.056 1.578 1.00 0.00 C ATOM 467 O LYS A 154 -13.896 -2.003 1.384 1.00 0.00 O ATOM 468 CB LYS A 154 -12.580 0.852 3.120 1.00 0.00 C ATOM 469 CG LYS A 154 -13.234 1.424 4.367 1.00 0.00 C ATOM 470 CD LYS A 154 -14.750 1.432 4.244 1.00 0.00 C ATOM 471 CE LYS A 154 -15.261 2.770 3.735 1.00 0.00 C ATOM 472 NZ LYS A 154 -15.817 3.607 4.834 1.00 0.00 N ATOM 0 H LYS A 154 -11.528 -1.863 4.247 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.497 -1.013 3.678 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -11.522 1.115 3.122 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -13.023 1.319 2.241 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -12.941 0.835 5.236 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -12.876 2.440 4.535 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -15.065 0.639 3.566 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -15.196 1.217 5.215 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -14.448 3.307 3.246 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -16.031 2.602 2.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -16.155 4.511 4.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -16.609 3.106 5.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -15.076 3.789 5.540 1.00 0.00 H new ATOM 486 N ASN A 155 -12.636 -0.318 0.586 1.00 0.00 N ATOM 487 CA ASN A 155 -12.968 -0.591 -0.809 1.00 0.00 C ATOM 488 C ASN A 155 -11.763 -1.142 -1.562 1.00 0.00 C ATOM 489 O ASN A 155 -11.623 -0.933 -2.767 1.00 0.00 O ATOM 490 CB ASN A 155 -13.473 0.683 -1.490 1.00 0.00 C ATOM 491 CG ASN A 155 -14.983 0.815 -1.423 1.00 0.00 C ATOM 492 OD1 ASN A 155 -15.659 0.873 -2.450 1.00 0.00 O ATOM 493 ND2 ASN A 155 -15.518 0.865 -0.209 1.00 0.00 N ATOM 0 H ASN A 155 -12.005 0.471 0.723 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.756 -1.344 -0.828 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -13.014 1.551 -1.017 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -13.157 0.684 -2.533 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -16.528 0.955 -0.100 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -14.919 0.813 0.615 1.00 0.00 H new ATOM 500 N GLY A 156 -10.898 -1.849 -0.845 1.00 0.00 N ATOM 501 CA GLY A 156 -9.716 -2.422 -1.462 1.00 0.00 C ATOM 502 C GLY A 156 -8.523 -1.487 -1.422 1.00 0.00 C ATOM 503 O GLY A 156 -7.630 -1.571 -2.264 1.00 0.00 O ATOM 0 H GLY A 156 -10.994 -2.036 0.153 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.461 -3.352 -0.954 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -9.939 -2.676 -2.498 1.00 0.00 H new ATOM 507 N ARG A 157 -8.511 -0.591 -0.440 1.00 0.00 N ATOM 508 CA ARG A 157 -7.425 0.370 -0.286 1.00 0.00 C ATOM 509 C ARG A 157 -6.215 -0.277 0.381 1.00 0.00 C ATOM 510 O ARG A 157 -6.358 -1.062 1.319 1.00 0.00 O ATOM 511 CB ARG A 157 -7.905 1.569 0.536 1.00 0.00 C ATOM 512 CG ARG A 157 -6.841 2.632 0.749 1.00 0.00 C ATOM 513 CD ARG A 157 -7.393 3.826 1.510 1.00 0.00 C ATOM 514 NE ARG A 157 -8.057 4.780 0.624 1.00 0.00 N ATOM 515 CZ ARG A 157 -8.496 5.974 1.015 1.00 0.00 C ATOM 516 NH1 ARG A 157 -8.344 6.366 2.274 1.00 0.00 N ATOM 517 NH2 ARG A 157 -9.089 6.780 0.144 1.00 0.00 N ATOM 0 H ARG A 157 -9.245 -0.511 0.264 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.123 0.712 -1.276 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.762 2.021 0.036 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.252 1.216 1.507 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -6.003 2.204 1.299 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.455 2.961 -0.216 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -8.099 3.480 2.265 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.581 4.326 2.038 1.00 0.00 H new ATOM 0 HE ARG A 157 -8.192 4.515 -0.352 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -7.888 5.751 2.948 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -8.683 7.282 2.567 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -9.208 6.485 -0.825 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -9.426 7.695 0.443 1.00 0.00 H new ATOM 531 N VAL A 158 -5.023 0.050 -0.114 1.00 0.00 N ATOM 532 CA VAL A 158 -3.792 -0.509 0.432 1.00 0.00 C ATOM 533 C VAL A 158 -3.475 0.076 1.801 1.00 0.00 C ATOM 534 O VAL A 158 -3.508 1.291 2.000 1.00 0.00 O ATOM 535 CB VAL A 158 -2.590 -0.277 -0.514 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.267 -0.590 0.176 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.734 -1.117 -1.769 1.00 0.00 C ATOM 0 H VAL A 158 -4.885 0.697 -0.890 1.00 0.00 H new ATOM 0 HA VAL A 158 -3.957 -1.582 0.533 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.585 0.778 -0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.445 -0.416 -0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.149 0.055 1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.260 -1.633 0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.880 -0.942 -2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.773 -2.172 -1.498 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.652 -0.841 -2.288 1.00 0.00 H new ATOM 547 N LEU A 159 -3.149 -0.807 2.734 1.00 0.00 N ATOM 548 CA LEU A 159 -2.799 -0.408 4.086 1.00 0.00 C ATOM 549 C LEU A 159 -1.296 -0.541 4.289 1.00 0.00 C ATOM 550 O LEU A 159 -0.624 -1.231 3.525 1.00 0.00 O ATOM 551 CB LEU A 159 -3.540 -1.284 5.097 1.00 0.00 C ATOM 552 CG LEU A 159 -5.066 -1.128 5.110 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.649 -1.678 6.402 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.467 0.329 4.923 1.00 0.00 C ATOM 0 H LEU A 159 -3.120 -1.814 2.575 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.090 0.631 4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.300 -2.327 4.892 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.160 -1.059 6.094 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.470 -1.701 4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.732 -1.558 6.392 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.402 -2.736 6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.232 -1.135 7.250 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.554 0.412 4.936 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -5.048 0.928 5.731 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.087 0.691 3.968 1.00 0.00 H new ATOM 566 N LYS A 160 -0.762 0.104 5.319 1.00 0.00 N ATOM 567 CA LYS A 160 0.668 0.014 5.585 1.00 0.00 C ATOM 568 C LYS A 160 1.070 -1.449 5.728 1.00 0.00 C ATOM 569 O LYS A 160 2.180 -1.839 5.366 1.00 0.00 O ATOM 570 CB LYS A 160 1.044 0.792 6.845 1.00 0.00 C ATOM 571 CG LYS A 160 2.543 0.991 7.007 1.00 0.00 C ATOM 572 CD LYS A 160 2.966 0.877 8.463 1.00 0.00 C ATOM 573 CE LYS A 160 3.138 -0.575 8.881 1.00 0.00 C ATOM 574 NZ LYS A 160 3.657 -0.695 10.272 1.00 0.00 N ATOM 0 H LYS A 160 -1.286 0.685 5.973 1.00 0.00 H new ATOM 0 HA LYS A 160 1.205 0.457 4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.556 1.766 6.821 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.659 0.264 7.717 1.00 0.00 H new ATOM 0 HG2 LYS A 160 3.076 0.249 6.413 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.825 1.970 6.621 1.00 0.00 H new ATOM 0 HD2 LYS A 160 3.903 1.414 8.614 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.220 1.354 9.098 1.00 0.00 H new ATOM 0 HE2 LYS A 160 2.181 -1.090 8.805 1.00 0.00 H new ATOM 0 HE3 LYS A 160 3.823 -1.072 8.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 3.760 -1.700 10.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 4.582 -0.225 10.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 2.991 -0.243 10.931 1.00 0.00 H new ATOM 588 N GLU A 161 0.142 -2.259 6.232 1.00 0.00 N ATOM 589 CA GLU A 161 0.384 -3.684 6.392 1.00 0.00 C ATOM 590 C GLU A 161 0.537 -4.324 5.020 1.00 0.00 C ATOM 591 O GLU A 161 1.368 -5.211 4.822 1.00 0.00 O ATOM 592 CB GLU A 161 -0.764 -4.343 7.159 1.00 0.00 C ATOM 593 CG GLU A 161 -1.038 -3.703 8.510 1.00 0.00 C ATOM 594 CD GLU A 161 -0.266 -4.365 9.635 1.00 0.00 C ATOM 595 OE1 GLU A 161 0.969 -4.496 9.510 1.00 0.00 O ATOM 596 OE2 GLU A 161 -0.898 -4.753 10.641 1.00 0.00 O ATOM 0 H GLU A 161 -0.782 -1.950 6.535 1.00 0.00 H new ATOM 0 HA GLU A 161 1.300 -3.828 6.965 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.669 -4.296 6.553 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.534 -5.398 7.306 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.776 -2.646 8.467 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -2.105 -3.758 8.725 1.00 0.00 H new ATOM 603 N ASP A 162 -0.260 -3.845 4.066 1.00 0.00 N ATOM 604 CA ASP A 162 -0.201 -4.347 2.699 1.00 0.00 C ATOM 605 C ASP A 162 1.180 -4.080 2.114 1.00 0.00 C ATOM 606 O ASP A 162 1.828 -4.978 1.576 1.00 0.00 O ATOM 607 CB ASP A 162 -1.274 -3.676 1.840 1.00 0.00 C ATOM 608 CG ASP A 162 -2.592 -4.422 1.867 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.588 -5.645 1.616 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.629 -3.782 2.141 1.00 0.00 O ATOM 0 H ASP A 162 -0.952 -3.111 4.217 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.385 -5.421 2.708 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.431 -2.656 2.192 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -0.920 -3.608 0.811 1.00 0.00 H new ATOM 615 N ILE A 163 1.624 -2.836 2.246 1.00 0.00 N ATOM 616 CA ILE A 163 2.938 -2.423 1.757 1.00 0.00 C ATOM 617 C ILE A 163 4.022 -3.346 2.298 1.00 0.00 C ATOM 618 O ILE A 163 4.800 -3.923 1.540 1.00 0.00 O ATOM 619 CB ILE A 163 3.275 -0.982 2.193 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.128 -0.032 1.862 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.570 -0.510 1.538 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.773 -0.023 0.403 1.00 0.00 C ATOM 0 H ILE A 163 1.090 -2.089 2.691 1.00 0.00 H new ATOM 0 HA ILE A 163 2.903 -2.474 0.669 1.00 0.00 H new ATOM 0 HB ILE A 163 3.417 -0.980 3.274 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.250 -0.316 2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.400 0.978 2.170 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.790 0.508 1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.388 -1.168 1.833 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.459 -0.533 0.454 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.951 0.672 0.233 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.639 0.290 -0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.471 -1.024 0.096 1.00 0.00 H new ATOM 634 N ASP A 164 4.062 -3.479 3.622 1.00 0.00 N ATOM 635 CA ASP A 164 5.045 -4.331 4.276 1.00 0.00 C ATOM 636 C ASP A 164 4.951 -5.761 3.752 1.00 0.00 C ATOM 637 O ASP A 164 5.965 -6.431 3.559 1.00 0.00 O ATOM 638 CB ASP A 164 4.838 -4.315 5.791 1.00 0.00 C ATOM 639 CG ASP A 164 5.961 -5.012 6.535 1.00 0.00 C ATOM 640 OD1 ASP A 164 6.009 -6.259 6.505 1.00 0.00 O ATOM 641 OD2 ASP A 164 6.792 -4.309 7.149 1.00 0.00 O ATOM 0 H ASP A 164 3.423 -3.006 4.261 1.00 0.00 H new ATOM 0 HA ASP A 164 6.038 -3.942 4.050 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.764 -3.283 6.134 1.00 0.00 H new ATOM 0 HB3 ASP A 164 3.891 -4.799 6.031 1.00 0.00 H new ATOM 646 N ALA A 165 3.724 -6.218 3.515 1.00 0.00 N ATOM 647 CA ALA A 165 3.498 -7.564 3.005 1.00 0.00 C ATOM 648 C ALA A 165 4.163 -7.740 1.646 1.00 0.00 C ATOM 649 O ALA A 165 4.739 -8.788 1.354 1.00 0.00 O ATOM 650 CB ALA A 165 2.006 -7.849 2.907 1.00 0.00 C ATOM 0 H ALA A 165 2.874 -5.676 3.668 1.00 0.00 H new ATOM 0 HA ALA A 165 3.943 -8.276 3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.853 -8.858 2.525 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.553 -7.763 3.895 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.542 -7.131 2.231 1.00 0.00 H new ATOM 656 N TRP A 166 4.085 -6.700 0.821 1.00 0.00 N ATOM 657 CA TRP A 166 4.687 -6.729 -0.507 1.00 0.00 C ATOM 658 C TRP A 166 6.184 -6.994 -0.408 1.00 0.00 C ATOM 659 O TRP A 166 6.701 -7.949 -0.986 1.00 0.00 O ATOM 660 CB TRP A 166 4.446 -5.398 -1.221 1.00 0.00 C ATOM 661 CG TRP A 166 4.748 -5.439 -2.689 1.00 0.00 C ATOM 662 CD1 TRP A 166 5.710 -4.727 -3.346 1.00 0.00 C ATOM 663 CD2 TRP A 166 4.085 -6.231 -3.681 1.00 0.00 C ATOM 664 NE1 TRP A 166 5.685 -5.026 -4.686 1.00 0.00 N ATOM 665 CE2 TRP A 166 4.697 -5.946 -4.917 1.00 0.00 C ATOM 666 CE3 TRP A 166 3.035 -7.153 -3.646 1.00 0.00 C ATOM 667 CZ2 TRP A 166 4.292 -6.549 -6.105 1.00 0.00 C ATOM 668 CZ3 TRP A 166 2.635 -7.750 -4.827 1.00 0.00 C ATOM 669 CH2 TRP A 166 3.262 -7.447 -6.041 1.00 0.00 C ATOM 0 H TRP A 166 3.610 -5.826 1.049 1.00 0.00 H new ATOM 0 HA TRP A 166 4.224 -7.533 -1.078 1.00 0.00 H new ATOM 0 HB2 TRP A 166 3.406 -5.104 -1.081 1.00 0.00 H new ATOM 0 HB3 TRP A 166 5.061 -4.629 -0.754 1.00 0.00 H new ATOM 0 HD1 TRP A 166 6.391 -4.030 -2.880 1.00 0.00 H new ATOM 0 HE1 TRP A 166 6.302 -4.628 -5.394 1.00 0.00 H new ATOM 0 HE3 TRP A 166 2.546 -7.394 -2.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 4.774 -6.316 -7.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 1.824 -8.463 -4.813 1.00 0.00 H new ATOM 0 HH2 TRP A 166 2.926 -7.932 -6.946 1.00 0.00 H new ATOM 680 N LEU A 167 6.870 -6.134 0.335 1.00 0.00 N ATOM 681 CA LEU A 167 8.309 -6.258 0.528 1.00 0.00 C ATOM 682 C LEU A 167 8.651 -7.526 1.306 1.00 0.00 C ATOM 683 O LEU A 167 9.742 -8.080 1.162 1.00 0.00 O ATOM 684 CB LEU A 167 8.845 -5.032 1.266 1.00 0.00 C ATOM 685 CG LEU A 167 8.487 -3.690 0.628 1.00 0.00 C ATOM 686 CD1 LEU A 167 8.106 -2.674 1.693 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.644 -3.176 -0.213 1.00 0.00 C ATOM 0 H LEU A 167 6.450 -5.339 0.816 1.00 0.00 H new ATOM 0 HA LEU A 167 8.780 -6.323 -0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.464 -5.045 2.287 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.930 -5.110 1.329 1.00 0.00 H new ATOM 0 HG LEU A 167 7.626 -3.838 -0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.855 -1.726 1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 167 7.245 -3.039 2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.945 -2.528 2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.372 -2.220 -0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.523 -3.045 0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 167 9.868 -3.894 -1.002 1.00 0.00 H new ATOM 699 N ALA A 168 7.714 -7.979 2.134 1.00 0.00 N ATOM 700 CA ALA A 168 7.918 -9.179 2.938 1.00 0.00 C ATOM 701 C ALA A 168 7.322 -10.409 2.259 1.00 0.00 C ATOM 702 O ALA A 168 6.877 -11.342 2.927 1.00 0.00 O ATOM 703 CB ALA A 168 7.311 -8.994 4.321 1.00 0.00 C ATOM 0 H ALA A 168 6.806 -7.533 2.265 1.00 0.00 H new ATOM 0 HA ALA A 168 8.992 -9.339 3.039 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.470 -9.896 4.912 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.786 -8.148 4.817 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.242 -8.805 4.227 1.00 0.00 H new