USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=4 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 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 155 ASN : amide:sc= -0.0271 X(o=-0.027,f=-0.19) USER MOD Set 2.1: A 138 TYR OH : rot 180:sc= 0.199 USER MOD Set 2.2: A 142 LYS NZ :NH3+ 155:sc= 0.749 (180deg=-0.398) USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc=-0.000144 X(o=-0.00014,f=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 130 -5.557 3.112 -5.253 1.00 0.00 N ATOM 82 CA ILE A 130 -6.281 3.199 -3.991 1.00 0.00 C ATOM 83 C ILE A 130 -5.363 2.901 -2.810 1.00 0.00 C ATOM 84 O ILE A 130 -4.893 1.775 -2.639 1.00 0.00 O ATOM 85 CB ILE A 130 -7.480 2.231 -3.963 1.00 0.00 C ATOM 86 CG1 ILE A 130 -8.368 2.468 -5.182 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.280 2.402 -2.680 1.00 0.00 C ATOM 88 CD1 ILE A 130 -8.059 1.550 -6.345 1.00 0.00 C ATOM 0 HA ILE A 130 -6.652 4.220 -3.906 1.00 0.00 H new ATOM 0 HB ILE A 130 -7.104 1.208 -3.993 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.411 2.336 -4.893 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -8.256 3.502 -5.507 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.122 1.709 -2.681 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.640 2.195 -1.822 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.652 3.425 -2.617 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.729 1.776 -7.175 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -7.027 1.698 -6.661 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -8.199 0.514 -6.038 1.00 0.00 H new ATOM 100 N ALA A 131 -5.116 3.922 -2.000 1.00 0.00 N ATOM 101 CA ALA A 131 -4.254 3.781 -0.833 1.00 0.00 C ATOM 102 C ALA A 131 -4.412 4.968 0.113 1.00 0.00 C ATOM 103 O ALA A 131 -4.789 6.063 -0.307 1.00 0.00 O ATOM 104 CB ALA A 131 -2.802 3.639 -1.266 1.00 0.00 C ATOM 0 H ALA A 131 -5.501 4.858 -2.129 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.553 2.880 -0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.168 3.534 -0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.695 2.757 -1.897 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.501 4.524 -1.826 1.00 0.00 H new ATOM 110 N MET A 132 -4.122 4.744 1.390 1.00 0.00 N ATOM 111 CA MET A 132 -4.232 5.796 2.394 1.00 0.00 C ATOM 112 C MET A 132 -3.125 6.833 2.215 1.00 0.00 C ATOM 113 O MET A 132 -2.032 6.510 1.749 1.00 0.00 O ATOM 114 CB MET A 132 -4.171 5.195 3.799 1.00 0.00 C ATOM 115 CG MET A 132 -5.533 5.054 4.457 1.00 0.00 C ATOM 116 SD MET A 132 -5.420 4.613 6.202 1.00 0.00 S ATOM 117 CE MET A 132 -5.561 6.225 6.969 1.00 0.00 C ATOM 0 H MET A 132 -3.809 3.844 1.754 1.00 0.00 H new ATOM 0 HA MET A 132 -5.193 6.294 2.265 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.699 4.214 3.746 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.536 5.821 4.426 1.00 0.00 H new ATOM 0 HG2 MET A 132 -6.079 5.992 4.358 1.00 0.00 H new ATOM 0 HG3 MET A 132 -6.109 4.293 3.931 1.00 0.00 H new ATOM 0 HE1 MET A 132 -5.508 6.118 8.052 1.00 0.00 H new ATOM 0 HE2 MET A 132 -4.746 6.863 6.627 1.00 0.00 H new ATOM 0 HE3 MET A 132 -6.515 6.676 6.695 1.00 0.00 H new ATOM 127 N PRO A 133 -3.397 8.097 2.580 1.00 0.00 N ATOM 128 CA PRO A 133 -2.419 9.183 2.454 1.00 0.00 C ATOM 129 C PRO A 133 -1.075 8.836 3.088 1.00 0.00 C ATOM 130 O PRO A 133 -0.026 9.291 2.629 1.00 0.00 O ATOM 131 CB PRO A 133 -3.079 10.345 3.201 1.00 0.00 C ATOM 132 CG PRO A 133 -4.539 10.065 3.120 1.00 0.00 C ATOM 133 CD PRO A 133 -4.677 8.567 3.142 1.00 0.00 C ATOM 0 HA PRO A 133 -2.190 9.403 1.411 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.742 10.393 4.236 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -2.833 11.302 2.741 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -5.070 10.518 3.957 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -4.966 10.483 2.208 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.833 8.193 4.154 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.525 8.233 2.544 1.00 0.00 H new ATOM 141 N SER A 134 -1.114 8.033 4.144 1.00 0.00 N ATOM 142 CA SER A 134 0.102 7.629 4.841 1.00 0.00 C ATOM 143 C SER A 134 0.741 6.414 4.175 1.00 0.00 C ATOM 144 O SER A 134 1.959 6.239 4.223 1.00 0.00 O ATOM 145 CB SER A 134 -0.207 7.315 6.306 1.00 0.00 C ATOM 146 OG SER A 134 -0.925 6.100 6.428 1.00 0.00 O ATOM 0 H SER A 134 -1.973 7.649 4.537 1.00 0.00 H new ATOM 0 HA SER A 134 0.808 8.458 4.791 1.00 0.00 H new ATOM 0 HB2 SER A 134 0.723 7.249 6.871 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.787 8.129 6.741 1.00 0.00 H new ATOM 0 HG SER A 134 -1.108 5.922 7.374 1.00 0.00 H new ATOM 152 N VAL A 135 -0.085 5.574 3.561 1.00 0.00 N ATOM 153 CA VAL A 135 0.407 4.374 2.894 1.00 0.00 C ATOM 154 C VAL A 135 1.171 4.714 1.629 1.00 0.00 C ATOM 155 O VAL A 135 2.258 4.194 1.393 1.00 0.00 O ATOM 156 CB VAL A 135 -0.735 3.413 2.537 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.191 2.155 1.871 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.531 3.071 3.780 1.00 0.00 C ATOM 0 H VAL A 135 -1.096 5.701 3.511 1.00 0.00 H new ATOM 0 HA VAL A 135 1.077 3.886 3.601 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.400 3.904 1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.017 1.487 1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.339 2.427 0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.494 1.650 2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.340 2.389 3.518 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.877 2.595 4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.950 3.983 4.206 1.00 0.00 H new ATOM 168 N ARG A 136 0.602 5.586 0.815 1.00 0.00 N ATOM 169 CA ARG A 136 1.246 5.983 -0.427 1.00 0.00 C ATOM 170 C ARG A 136 2.652 6.499 -0.142 1.00 0.00 C ATOM 171 O ARG A 136 3.555 6.360 -0.963 1.00 0.00 O ATOM 172 CB ARG A 136 0.426 7.061 -1.135 1.00 0.00 C ATOM 173 CG ARG A 136 -0.800 6.519 -1.852 1.00 0.00 C ATOM 174 CD ARG A 136 -2.081 7.137 -1.318 1.00 0.00 C ATOM 175 NE ARG A 136 -2.468 8.330 -2.067 1.00 0.00 N ATOM 176 CZ ARG A 136 -3.308 9.255 -1.609 1.00 0.00 C ATOM 177 NH1 ARG A 136 -3.852 9.129 -0.405 1.00 0.00 N ATOM 178 NH2 ARG A 136 -3.605 10.308 -2.357 1.00 0.00 N ATOM 0 H ARG A 136 -0.299 6.031 0.989 1.00 0.00 H new ATOM 0 HA ARG A 136 1.311 5.112 -1.080 1.00 0.00 H new ATOM 0 HB2 ARG A 136 0.110 7.805 -0.403 1.00 0.00 H new ATOM 0 HB3 ARG A 136 1.062 7.574 -1.857 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.716 6.721 -2.920 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -0.842 5.436 -1.734 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.885 6.403 -1.366 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.948 7.396 -0.268 1.00 0.00 H new ATOM 0 HE ARG A 136 -2.070 8.462 -2.997 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -3.627 8.320 0.174 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -4.495 9.841 -0.059 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -3.190 10.409 -3.283 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -4.249 11.017 -2.006 1.00 0.00 H new ATOM 192 N LYS A 137 2.828 7.074 1.045 1.00 0.00 N ATOM 193 CA LYS A 137 4.120 7.595 1.462 1.00 0.00 C ATOM 194 C LYS A 137 5.026 6.457 1.901 1.00 0.00 C ATOM 195 O LYS A 137 6.204 6.408 1.544 1.00 0.00 O ATOM 196 CB LYS A 137 3.947 8.599 2.604 1.00 0.00 C ATOM 197 CG LYS A 137 5.240 9.287 3.010 1.00 0.00 C ATOM 198 CD LYS A 137 5.617 10.388 2.033 1.00 0.00 C ATOM 199 CE LYS A 137 7.055 10.843 2.231 1.00 0.00 C ATOM 200 NZ LYS A 137 7.748 11.075 0.933 1.00 0.00 N ATOM 0 H LYS A 137 2.086 7.190 1.735 1.00 0.00 H new ATOM 0 HA LYS A 137 4.579 8.106 0.615 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.221 9.355 2.305 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.532 8.084 3.470 1.00 0.00 H new ATOM 0 HG2 LYS A 137 5.131 9.708 4.009 1.00 0.00 H new ATOM 0 HG3 LYS A 137 6.044 8.553 3.060 1.00 0.00 H new ATOM 0 HD2 LYS A 137 5.485 10.030 1.012 1.00 0.00 H new ATOM 0 HD3 LYS A 137 4.945 11.236 2.163 1.00 0.00 H new ATOM 0 HE2 LYS A 137 7.068 11.761 2.818 1.00 0.00 H new ATOM 0 HE3 LYS A 137 7.598 10.091 2.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 8.725 11.384 1.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 7.759 10.193 0.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 7.245 11.811 0.397 1.00 0.00 H new ATOM 214 N TYR A 138 4.465 5.547 2.688 1.00 0.00 N ATOM 215 CA TYR A 138 5.215 4.407 3.190 1.00 0.00 C ATOM 216 C TYR A 138 5.690 3.522 2.044 1.00 0.00 C ATOM 217 O TYR A 138 6.863 3.161 1.972 1.00 0.00 O ATOM 218 CB TYR A 138 4.337 3.600 4.136 1.00 0.00 C ATOM 219 CG TYR A 138 5.010 2.350 4.643 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.173 2.421 5.398 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.491 1.099 4.350 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.797 1.275 5.850 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.108 -0.048 4.795 1.00 0.00 C ATOM 224 CZ TYR A 138 6.260 0.042 5.546 1.00 0.00 C ATOM 225 OH TYR A 138 6.879 -1.104 5.991 1.00 0.00 O ATOM 0 H TYR A 138 3.492 5.578 2.992 1.00 0.00 H new ATOM 0 HA TYR A 138 6.092 4.774 3.724 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.057 4.225 4.984 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.415 3.327 3.623 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.596 3.386 5.635 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.588 1.023 3.763 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.700 1.344 6.438 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.691 -1.015 4.556 1.00 0.00 H new ATOM 0 HH TYR A 138 6.372 -1.887 5.691 1.00 0.00 H new ATOM 235 N ALA A 139 4.778 3.201 1.135 1.00 0.00 N ATOM 236 CA ALA A 139 5.116 2.389 -0.021 1.00 0.00 C ATOM 237 C ALA A 139 6.095 3.156 -0.887 1.00 0.00 C ATOM 238 O ALA A 139 7.108 2.623 -1.328 1.00 0.00 O ATOM 239 CB ALA A 139 3.865 2.038 -0.815 1.00 0.00 C ATOM 0 H ALA A 139 3.801 3.491 1.178 1.00 0.00 H new ATOM 0 HA ALA A 139 5.572 1.456 0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.140 1.430 -1.677 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.176 1.479 -0.181 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.382 2.954 -1.156 1.00 0.00 H new ATOM 245 N ARG A 140 5.794 4.428 -1.101 1.00 0.00 N ATOM 246 CA ARG A 140 6.652 5.290 -1.893 1.00 0.00 C ATOM 247 C ARG A 140 8.076 5.275 -1.341 1.00 0.00 C ATOM 248 O ARG A 140 9.045 5.401 -2.089 1.00 0.00 O ATOM 249 CB ARG A 140 6.094 6.714 -1.879 1.00 0.00 C ATOM 250 CG ARG A 140 6.932 7.710 -2.659 1.00 0.00 C ATOM 251 CD ARG A 140 6.093 8.432 -3.698 1.00 0.00 C ATOM 252 NE ARG A 140 5.626 9.731 -3.217 1.00 0.00 N ATOM 253 CZ ARG A 140 5.143 10.685 -4.008 1.00 0.00 C ATOM 254 NH1 ARG A 140 5.064 10.494 -5.319 1.00 0.00 N ATOM 255 NH2 ARG A 140 4.736 11.835 -3.486 1.00 0.00 N ATOM 0 H ARG A 140 4.959 4.885 -0.735 1.00 0.00 H new ATOM 0 HA ARG A 140 6.678 4.923 -2.919 1.00 0.00 H new ATOM 0 HB2 ARG A 140 5.085 6.702 -2.290 1.00 0.00 H new ATOM 0 HB3 ARG A 140 6.013 7.052 -0.846 1.00 0.00 H new ATOM 0 HG2 ARG A 140 7.372 8.435 -1.974 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.757 7.192 -3.149 1.00 0.00 H new ATOM 0 HD2 ARG A 140 6.680 8.571 -4.606 1.00 0.00 H new ATOM 0 HD3 ARG A 140 5.235 7.814 -3.965 1.00 0.00 H new ATOM 0 HE ARG A 140 5.673 9.917 -2.215 1.00 0.00 H new ATOM 0 HH11 ARG A 140 5.375 9.612 -5.725 1.00 0.00 H new ATOM 0 HH12 ARG A 140 4.693 11.230 -5.920 1.00 0.00 H new ATOM 0 HH21 ARG A 140 4.794 11.987 -2.479 1.00 0.00 H new ATOM 0 HH22 ARG A 140 4.365 12.567 -4.092 1.00 0.00 H new ATOM 269 N GLU A 141 8.190 5.111 -0.026 1.00 0.00 N ATOM 270 CA GLU A 141 9.485 5.065 0.634 1.00 0.00 C ATOM 271 C GLU A 141 10.075 3.664 0.589 1.00 0.00 C ATOM 272 O GLU A 141 11.284 3.489 0.436 1.00 0.00 O ATOM 273 CB GLU A 141 9.348 5.523 2.085 1.00 0.00 C ATOM 274 CG GLU A 141 9.228 7.030 2.242 1.00 0.00 C ATOM 275 CD GLU A 141 10.562 7.737 2.110 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.077 7.824 0.975 1.00 0.00 O ATOM 277 OE2 GLU A 141 11.092 8.203 3.140 1.00 0.00 O ATOM 0 H GLU A 141 7.394 5.007 0.604 1.00 0.00 H new ATOM 0 HA GLU A 141 10.159 5.737 0.103 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.470 5.050 2.525 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.213 5.176 2.649 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.540 7.416 1.490 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.795 7.257 3.216 1.00 0.00 H new ATOM 284 N LYS A 142 9.210 2.670 0.742 1.00 0.00 N ATOM 285 CA LYS A 142 9.629 1.277 0.743 1.00 0.00 C ATOM 286 C LYS A 142 9.747 0.715 -0.676 1.00 0.00 C ATOM 287 O LYS A 142 9.603 -0.491 -0.880 1.00 0.00 O ATOM 288 CB LYS A 142 8.619 0.454 1.543 1.00 0.00 C ATOM 289 CG LYS A 142 8.575 0.787 3.031 1.00 0.00 C ATOM 290 CD LYS A 142 9.958 1.070 3.597 1.00 0.00 C ATOM 291 CE LYS A 142 9.891 1.439 5.069 1.00 0.00 C ATOM 292 NZ LYS A 142 9.700 0.243 5.935 1.00 0.00 N ATOM 0 H LYS A 142 8.207 2.806 0.868 1.00 0.00 H new ATOM 0 HA LYS A 142 10.616 1.218 1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.627 0.607 1.119 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.856 -0.603 1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.935 1.655 3.189 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.125 -0.044 3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.591 0.192 3.469 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.422 1.882 3.038 1.00 0.00 H new ATOM 0 HE2 LYS A 142 10.809 1.952 5.356 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.071 2.138 5.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 10.070 0.441 6.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 8.687 0.018 5.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 10.210 -0.566 5.527 1.00 0.00 H new ATOM 306 N GLY A 143 10.002 1.582 -1.655 1.00 0.00 N ATOM 307 CA GLY A 143 10.121 1.121 -3.033 1.00 0.00 C ATOM 308 C GLY A 143 8.908 0.321 -3.477 1.00 0.00 C ATOM 309 O GLY A 143 8.977 -0.467 -4.420 1.00 0.00 O ATOM 0 H GLY A 143 10.127 2.586 -1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.249 1.980 -3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.016 0.507 -3.133 1.00 0.00 H new ATOM 313 N VAL A 144 7.798 0.530 -2.779 1.00 0.00 N ATOM 314 CA VAL A 144 6.545 -0.154 -3.062 1.00 0.00 C ATOM 315 C VAL A 144 5.551 0.784 -3.729 1.00 0.00 C ATOM 316 O VAL A 144 5.386 1.931 -3.314 1.00 0.00 O ATOM 317 CB VAL A 144 5.912 -0.677 -1.760 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.618 -1.419 -2.050 1.00 0.00 C ATOM 319 CG2 VAL A 144 6.889 -1.559 -1.002 1.00 0.00 C ATOM 0 H VAL A 144 7.743 1.182 -1.997 1.00 0.00 H new ATOM 0 HA VAL A 144 6.772 -0.984 -3.731 1.00 0.00 H new ATOM 0 HB VAL A 144 5.674 0.179 -1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.188 -1.780 -1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 144 3.913 -0.745 -2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.823 -2.265 -2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.420 -1.917 -0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.168 -2.410 -1.623 1.00 0.00 H new ATOM 0 HG23 VAL A 144 7.781 -0.984 -0.753 1.00 0.00 H new ATOM 329 N ASP A 145 4.864 0.277 -4.740 1.00 0.00 N ATOM 330 CA ASP A 145 3.857 1.047 -5.439 1.00 0.00 C ATOM 331 C ASP A 145 2.505 0.389 -5.231 1.00 0.00 C ATOM 332 O ASP A 145 2.353 -0.810 -5.453 1.00 0.00 O ATOM 333 CB ASP A 145 4.186 1.148 -6.932 1.00 0.00 C ATOM 334 CG ASP A 145 3.216 2.042 -7.680 1.00 0.00 C ATOM 335 OD1 ASP A 145 2.118 2.307 -7.147 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.555 2.478 -8.800 1.00 0.00 O ATOM 0 H ASP A 145 4.989 -0.671 -5.094 1.00 0.00 H new ATOM 0 HA ASP A 145 3.835 2.061 -5.039 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.198 1.534 -7.053 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.170 0.151 -7.373 1.00 0.00 H new ATOM 341 N ILE A 146 1.533 1.164 -4.780 1.00 0.00 N ATOM 342 CA ILE A 146 0.197 0.641 -4.519 1.00 0.00 C ATOM 343 C ILE A 146 -0.308 -0.222 -5.677 1.00 0.00 C ATOM 344 O ILE A 146 -1.132 -1.115 -5.481 1.00 0.00 O ATOM 345 CB ILE A 146 -0.810 1.778 -4.256 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.256 2.758 -3.220 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.138 1.209 -3.783 1.00 0.00 C ATOM 348 CD1 ILE A 146 0.110 2.106 -1.903 1.00 0.00 C ATOM 0 H ILE A 146 1.642 2.159 -4.586 1.00 0.00 H new ATOM 0 HA ILE A 146 0.275 0.020 -3.626 1.00 0.00 H new ATOM 0 HB ILE A 146 -0.972 2.316 -5.190 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.627 3.248 -3.631 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -0.996 3.537 -3.037 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.839 2.024 -3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.543 0.546 -4.548 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -1.986 0.649 -2.860 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.495 2.861 -1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.775 1.640 -1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.873 1.347 -2.073 1.00 0.00 H new ATOM 360 N ARG A 147 0.199 0.036 -6.881 1.00 0.00 N ATOM 361 CA ARG A 147 -0.209 -0.728 -8.058 1.00 0.00 C ATOM 362 C ARG A 147 0.186 -2.191 -7.909 1.00 0.00 C ATOM 363 O ARG A 147 -0.532 -3.092 -8.340 1.00 0.00 O ATOM 364 CB ARG A 147 0.422 -0.137 -9.321 1.00 0.00 C ATOM 365 CG ARG A 147 -0.521 0.759 -10.108 1.00 0.00 C ATOM 366 CD ARG A 147 -1.756 0.001 -10.569 1.00 0.00 C ATOM 367 NE ARG A 147 -1.740 -0.250 -12.009 1.00 0.00 N ATOM 368 CZ ARG A 147 -2.066 0.659 -12.924 1.00 0.00 C ATOM 369 NH1 ARG A 147 -2.428 1.882 -12.556 1.00 0.00 N ATOM 370 NH2 ARG A 147 -2.030 0.345 -14.212 1.00 0.00 N ATOM 0 H ARG A 147 0.889 0.764 -7.067 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.294 -0.669 -8.147 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.306 0.436 -9.042 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.759 -0.950 -9.964 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -0.822 1.605 -9.489 1.00 0.00 H new ATOM 0 HG3 ARG A 147 0.001 1.167 -10.974 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -1.818 -0.948 -10.036 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -2.648 0.571 -10.310 1.00 0.00 H new ATOM 0 HE ARG A 147 -1.462 -1.177 -12.331 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -2.457 2.129 -11.567 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -2.677 2.574 -13.262 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -1.752 -0.593 -14.501 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -2.280 1.042 -14.914 1.00 0.00 H new ATOM 384 N LEU A 148 1.335 -2.410 -7.286 1.00 0.00 N ATOM 385 CA LEU A 148 1.851 -3.749 -7.056 1.00 0.00 C ATOM 386 C LEU A 148 1.324 -4.318 -5.741 1.00 0.00 C ATOM 387 O LEU A 148 1.570 -5.479 -5.415 1.00 0.00 O ATOM 388 CB LEU A 148 3.381 -3.719 -7.028 1.00 0.00 C ATOM 389 CG LEU A 148 4.021 -2.537 -7.763 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.529 -2.558 -7.612 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.632 -2.553 -9.233 1.00 0.00 C ATOM 0 H LEU A 148 1.933 -1.666 -6.927 1.00 0.00 H new ATOM 0 HA LEU A 148 1.513 -4.390 -7.870 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.710 -3.702 -5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.755 -4.645 -7.465 1.00 0.00 H new ATOM 0 HG LEU A 148 3.649 -1.616 -7.315 1.00 0.00 H new ATOM 0 HD11 LEU A 148 5.960 -1.709 -8.143 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.790 -2.496 -6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.924 -3.485 -8.029 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.095 -1.707 -9.741 1.00 0.00 H new ATOM 0 HD22 LEU A 148 3.974 -3.482 -9.690 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.548 -2.482 -9.323 1.00 0.00 H new ATOM 403 N VAL A 149 0.604 -3.493 -4.979 1.00 0.00 N ATOM 404 CA VAL A 149 0.062 -3.922 -3.696 1.00 0.00 C ATOM 405 C VAL A 149 -1.462 -3.944 -3.716 1.00 0.00 C ATOM 406 O VAL A 149 -2.106 -2.911 -3.898 1.00 0.00 O ATOM 407 CB VAL A 149 0.537 -3.001 -2.552 1.00 0.00 C ATOM 408 CG1 VAL A 149 0.376 -3.691 -1.206 1.00 0.00 C ATOM 409 CG2 VAL A 149 1.984 -2.572 -2.767 1.00 0.00 C ATOM 0 H VAL A 149 0.385 -2.529 -5.230 1.00 0.00 H new ATOM 0 HA VAL A 149 0.431 -4.932 -3.520 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.086 -2.107 -2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.716 -3.025 -0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.674 -3.938 -1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.970 -4.605 -1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 149 2.297 -1.924 -1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.624 -3.454 -2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 149 2.067 -2.032 -3.710 1.00 0.00 H new ATOM 419 N GLN A 150 -2.032 -5.130 -3.524 1.00 0.00 N ATOM 420 CA GLN A 150 -3.480 -5.289 -3.514 1.00 0.00 C ATOM 421 C GLN A 150 -4.070 -4.766 -2.209 1.00 0.00 C ATOM 422 O GLN A 150 -3.834 -5.329 -1.141 1.00 0.00 O ATOM 423 CB GLN A 150 -3.852 -6.761 -3.706 1.00 0.00 C ATOM 424 CG GLN A 150 -4.569 -7.041 -5.016 1.00 0.00 C ATOM 425 CD GLN A 150 -3.798 -7.993 -5.912 1.00 0.00 C ATOM 426 OE1 GLN A 150 -2.674 -7.706 -6.320 1.00 0.00 O ATOM 427 NE2 GLN A 150 -4.403 -9.134 -6.221 1.00 0.00 N ATOM 0 H GLN A 150 -1.512 -5.994 -3.373 1.00 0.00 H new ATOM 0 HA GLN A 150 -3.895 -4.708 -4.338 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -2.946 -7.365 -3.661 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.487 -7.077 -2.879 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -5.552 -7.462 -4.805 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -4.732 -6.102 -5.545 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -5.336 -9.330 -5.860 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -3.934 -9.814 -6.820 1.00 0.00 H new ATOM 436 N GLY A 151 -4.834 -3.682 -2.301 1.00 0.00 N ATOM 437 CA GLY A 151 -5.436 -3.102 -1.118 1.00 0.00 C ATOM 438 C GLY A 151 -6.702 -3.818 -0.694 1.00 0.00 C ATOM 439 O GLY A 151 -7.580 -4.078 -1.515 1.00 0.00 O ATOM 0 H GLY A 151 -5.046 -3.197 -3.173 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.717 -3.129 -0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.663 -2.053 -1.308 1.00 0.00 H new ATOM 443 N THR A 152 -6.793 -4.139 0.593 1.00 0.00 N ATOM 444 CA THR A 152 -7.959 -4.828 1.133 1.00 0.00 C ATOM 445 C THR A 152 -8.656 -3.974 2.192 1.00 0.00 C ATOM 446 O THR A 152 -9.313 -4.501 3.089 1.00 0.00 O ATOM 447 CB THR A 152 -7.543 -6.171 1.734 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.178 -6.150 2.109 1.00 0.00 O ATOM 449 CG2 THR A 152 -7.741 -7.336 0.789 1.00 0.00 C ATOM 0 H THR A 152 -6.071 -3.932 1.283 1.00 0.00 H new ATOM 0 HA THR A 152 -8.661 -5.002 0.317 1.00 0.00 H new ATOM 0 HB THR A 152 -8.189 -6.313 2.600 1.00 0.00 H new ATOM 0 HG1 THR A 152 -5.931 -7.017 2.493 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.426 -8.258 1.277 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.794 -7.410 0.518 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.145 -7.180 -0.110 1.00 0.00 H new ATOM 457 N GLY A 153 -8.499 -2.656 2.094 1.00 0.00 N ATOM 458 CA GLY A 153 -9.110 -1.763 3.064 1.00 0.00 C ATOM 459 C GLY A 153 -10.362 -1.077 2.549 1.00 0.00 C ATOM 460 O GLY A 153 -10.335 -0.407 1.518 1.00 0.00 O ATOM 0 H GLY A 153 -7.961 -2.192 1.362 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.358 -2.329 3.962 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.384 -1.005 3.356 1.00 0.00 H new ATOM 464 N LYS A 154 -11.458 -1.234 3.286 1.00 0.00 N ATOM 465 CA LYS A 154 -12.735 -0.622 2.925 1.00 0.00 C ATOM 466 C LYS A 154 -13.183 -1.030 1.521 1.00 0.00 C ATOM 467 O LYS A 154 -13.989 -1.948 1.363 1.00 0.00 O ATOM 468 CB LYS A 154 -12.643 0.905 3.034 1.00 0.00 C ATOM 469 CG LYS A 154 -13.614 1.500 4.039 1.00 0.00 C ATOM 470 CD LYS A 154 -14.933 1.873 3.382 1.00 0.00 C ATOM 471 CE LYS A 154 -14.806 3.147 2.560 1.00 0.00 C ATOM 472 NZ LYS A 154 -15.744 3.157 1.402 1.00 0.00 N ATOM 0 H LYS A 154 -11.488 -1.785 4.144 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.485 -0.985 3.627 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -11.627 1.181 3.315 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -12.832 1.343 2.054 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -13.795 0.784 4.841 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -13.170 2.385 4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -15.265 1.057 2.741 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -15.697 2.008 4.148 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -15.004 4.010 3.195 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -13.782 3.246 2.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -15.626 4.041 0.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -15.539 2.348 0.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -16.723 3.089 1.747 1.00 0.00 H new ATOM 486 N ASN A 155 -12.668 -0.343 0.504 1.00 0.00 N ATOM 487 CA ASN A 155 -13.031 -0.638 -0.879 1.00 0.00 C ATOM 488 C ASN A 155 -11.841 -1.195 -1.651 1.00 0.00 C ATOM 489 O ASN A 155 -11.726 -0.997 -2.860 1.00 0.00 O ATOM 490 CB ASN A 155 -13.555 0.623 -1.569 1.00 0.00 C ATOM 491 CG ASN A 155 -12.545 1.754 -1.550 1.00 0.00 C ATOM 492 OD1 ASN A 155 -11.677 1.841 -2.419 1.00 0.00 O ATOM 493 ND2 ASN A 155 -12.655 2.630 -0.557 1.00 0.00 N ATOM 0 H ASN A 155 -12.000 0.420 0.612 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.817 -1.394 -0.867 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -13.814 0.388 -2.601 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -14.471 0.949 -1.077 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -12.005 3.413 -0.493 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -13.390 2.519 0.142 1.00 0.00 H new ATOM 500 N GLY A 156 -10.961 -1.894 -0.946 1.00 0.00 N ATOM 501 CA GLY A 156 -9.794 -2.472 -1.584 1.00 0.00 C ATOM 502 C GLY A 156 -8.592 -1.548 -1.545 1.00 0.00 C ATOM 503 O GLY A 156 -7.707 -1.632 -2.398 1.00 0.00 O ATOM 0 H GLY A 156 -11.034 -2.071 0.056 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.542 -3.411 -1.091 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.031 -2.710 -2.621 1.00 0.00 H new ATOM 507 N ARG A 157 -8.558 -0.665 -0.553 1.00 0.00 N ATOM 508 CA ARG A 157 -7.456 0.278 -0.404 1.00 0.00 C ATOM 509 C ARG A 157 -6.267 -0.383 0.285 1.00 0.00 C ATOM 510 O ARG A 157 -6.437 -1.215 1.175 1.00 0.00 O ATOM 511 CB ARG A 157 -7.914 1.500 0.395 1.00 0.00 C ATOM 512 CG ARG A 157 -6.811 2.515 0.649 1.00 0.00 C ATOM 513 CD ARG A 157 -7.274 3.618 1.586 1.00 0.00 C ATOM 514 NE ARG A 157 -8.603 4.113 1.235 1.00 0.00 N ATOM 515 CZ ARG A 157 -8.837 4.965 0.240 1.00 0.00 C ATOM 516 NH1 ARG A 157 -7.835 5.422 -0.501 1.00 0.00 N ATOM 517 NH2 ARG A 157 -10.077 5.361 -0.016 1.00 0.00 N ATOM 0 H ARG A 157 -9.282 -0.583 0.161 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.142 0.599 -1.397 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.728 1.988 -0.140 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.316 1.167 1.352 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -5.944 2.012 1.078 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.491 2.951 -0.298 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -7.286 3.243 2.609 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.561 4.442 1.556 1.00 0.00 H new ATOM 0 HE ARG A 157 -9.398 3.786 1.785 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -6.880 5.120 -0.309 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -8.020 6.075 -1.262 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -10.851 5.012 0.550 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -10.257 6.014 -0.779 1.00 0.00 H new ATOM 531 N VAL A 158 -5.062 -0.010 -0.136 1.00 0.00 N ATOM 532 CA VAL A 158 -3.846 -0.573 0.438 1.00 0.00 C ATOM 533 C VAL A 158 -3.508 0.082 1.771 1.00 0.00 C ATOM 534 O VAL A 158 -3.502 1.308 1.895 1.00 0.00 O ATOM 535 CB VAL A 158 -2.646 -0.434 -0.528 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.320 -0.647 0.194 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.775 -1.415 -1.678 1.00 0.00 C ATOM 0 H VAL A 158 -4.902 0.679 -0.871 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.037 -1.633 0.605 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.656 0.582 -0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.499 -0.542 -0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.213 0.095 0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.299 -1.646 0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.923 -1.304 -2.348 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.799 -2.432 -1.287 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.696 -1.214 -2.226 1.00 0.00 H new ATOM 547 N LEU A 159 -3.213 -0.751 2.758 1.00 0.00 N ATOM 548 CA LEU A 159 -2.855 -0.277 4.086 1.00 0.00 C ATOM 549 C LEU A 159 -1.357 -0.429 4.309 1.00 0.00 C ATOM 550 O LEU A 159 -0.688 -1.158 3.578 1.00 0.00 O ATOM 551 CB LEU A 159 -3.622 -1.068 5.146 1.00 0.00 C ATOM 552 CG LEU A 159 -5.140 -0.856 5.151 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.748 -1.367 6.448 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.483 0.612 4.943 1.00 0.00 C ATOM 0 H LEU A 159 -3.215 -1.766 2.662 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.119 0.777 4.168 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.420 -2.129 5.000 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.231 -0.801 6.128 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.564 -1.425 4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.826 -1.207 6.432 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.540 -2.432 6.552 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.314 -0.828 7.290 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.566 0.737 4.950 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -5.044 1.205 5.745 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.086 0.946 3.985 1.00 0.00 H new ATOM 566 N LYS A 160 -0.823 0.246 5.322 1.00 0.00 N ATOM 567 CA LYS A 160 0.600 0.142 5.610 1.00 0.00 C ATOM 568 C LYS A 160 0.973 -1.316 5.829 1.00 0.00 C ATOM 569 O LYS A 160 2.067 -1.751 5.470 1.00 0.00 O ATOM 570 CB LYS A 160 0.977 0.975 6.835 1.00 0.00 C ATOM 571 CG LYS A 160 2.480 1.079 7.052 1.00 0.00 C ATOM 572 CD LYS A 160 2.859 0.789 8.496 1.00 0.00 C ATOM 573 CE LYS A 160 4.127 -0.044 8.582 1.00 0.00 C ATOM 574 NZ LYS A 160 4.053 -1.058 9.670 1.00 0.00 N ATOM 0 H LYS A 160 -1.345 0.860 5.947 1.00 0.00 H new ATOM 0 HA LYS A 160 1.154 0.533 4.757 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.562 1.977 6.726 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.518 0.535 7.720 1.00 0.00 H new ATOM 0 HG2 LYS A 160 2.993 0.378 6.393 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.819 2.079 6.780 1.00 0.00 H new ATOM 0 HD2 LYS A 160 3.002 1.728 9.031 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.042 0.262 8.989 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.297 -0.546 7.629 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.981 0.611 8.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 4.937 -1.605 9.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 3.916 -0.579 10.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 3.254 -1.700 9.493 1.00 0.00 H new ATOM 588 N GLU A 161 0.038 -2.074 6.394 1.00 0.00 N ATOM 589 CA GLU A 161 0.252 -3.492 6.629 1.00 0.00 C ATOM 590 C GLU A 161 0.407 -4.202 5.293 1.00 0.00 C ATOM 591 O GLU A 161 1.206 -5.129 5.155 1.00 0.00 O ATOM 592 CB GLU A 161 -0.918 -4.089 7.414 1.00 0.00 C ATOM 593 CG GLU A 161 -1.290 -3.292 8.653 1.00 0.00 C ATOM 594 CD GLU A 161 -0.882 -3.985 9.938 1.00 0.00 C ATOM 595 OE1 GLU A 161 -1.592 -4.922 10.358 1.00 0.00 O ATOM 596 OE2 GLU A 161 0.149 -3.591 10.524 1.00 0.00 O ATOM 0 H GLU A 161 -0.873 -1.728 6.696 1.00 0.00 H new ATOM 0 HA GLU A 161 1.159 -3.625 7.219 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.787 -4.155 6.760 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.664 -5.107 7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.814 -2.312 8.606 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -2.367 -3.123 8.662 1.00 0.00 H new ATOM 603 N ASP A 162 -0.351 -3.737 4.302 1.00 0.00 N ATOM 604 CA ASP A 162 -0.288 -4.304 2.962 1.00 0.00 C ATOM 605 C ASP A 162 1.086 -4.047 2.357 1.00 0.00 C ATOM 606 O ASP A 162 1.722 -4.948 1.813 1.00 0.00 O ATOM 607 CB ASP A 162 -1.372 -3.694 2.073 1.00 0.00 C ATOM 608 CG ASP A 162 -2.693 -4.429 2.175 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.696 -5.670 2.023 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.725 -3.765 2.407 1.00 0.00 O ATOM 0 H ASP A 162 -1.015 -2.969 4.404 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.456 -5.379 3.028 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.519 -2.650 2.351 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -1.034 -3.704 1.037 1.00 0.00 H new ATOM 615 N ILE A 163 1.537 -2.802 2.475 1.00 0.00 N ATOM 616 CA ILE A 163 2.842 -2.397 1.962 1.00 0.00 C ATOM 617 C ILE A 163 3.939 -3.316 2.488 1.00 0.00 C ATOM 618 O ILE A 163 4.738 -3.852 1.720 1.00 0.00 O ATOM 619 CB ILE A 163 3.180 -0.948 2.371 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.061 0.000 1.952 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.509 -0.510 1.764 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.809 -0.006 0.468 1.00 0.00 C ATOM 0 H ILE A 163 1.014 -2.051 2.925 1.00 0.00 H new ATOM 0 HA ILE A 163 2.792 -2.463 0.875 1.00 0.00 H new ATOM 0 HB ILE A 163 3.274 -0.913 3.456 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.144 -0.277 2.472 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.313 1.012 2.268 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.727 0.515 2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.304 -1.168 2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.447 -0.563 0.677 1.00 0.00 H new ATOM 0 HD11 ILE A 163 1.002 0.688 0.233 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.715 0.300 -0.056 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.528 -1.010 0.151 1.00 0.00 H new ATOM 634 N ASP A 164 3.966 -3.492 3.804 1.00 0.00 N ATOM 635 CA ASP A 164 4.961 -4.344 4.440 1.00 0.00 C ATOM 636 C ASP A 164 4.877 -5.770 3.905 1.00 0.00 C ATOM 637 O ASP A 164 5.894 -6.387 3.587 1.00 0.00 O ATOM 638 CB ASP A 164 4.770 -4.342 5.957 1.00 0.00 C ATOM 639 CG ASP A 164 6.086 -4.394 6.707 1.00 0.00 C ATOM 640 OD1 ASP A 164 7.033 -5.032 6.201 1.00 0.00 O ATOM 641 OD2 ASP A 164 6.172 -3.796 7.800 1.00 0.00 O ATOM 0 H ASP A 164 3.309 -3.055 4.451 1.00 0.00 H new ATOM 0 HA ASP A 164 5.948 -3.946 4.206 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.224 -3.446 6.250 1.00 0.00 H new ATOM 0 HB3 ASP A 164 4.158 -5.197 6.244 1.00 0.00 H new ATOM 646 N ALA A 165 3.655 -6.288 3.806 1.00 0.00 N ATOM 647 CA ALA A 165 3.435 -7.641 3.308 1.00 0.00 C ATOM 648 C ALA A 165 3.963 -7.791 1.886 1.00 0.00 C ATOM 649 O ALA A 165 4.485 -8.841 1.513 1.00 0.00 O ATOM 650 CB ALA A 165 1.955 -7.990 3.364 1.00 0.00 C ATOM 0 H ALA A 165 2.803 -5.790 4.064 1.00 0.00 H new ATOM 0 HA ALA A 165 3.983 -8.333 3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.806 -9.003 2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.606 -7.929 4.395 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.392 -7.289 2.748 1.00 0.00 H new ATOM 656 N TRP A 166 3.829 -6.730 1.097 1.00 0.00 N ATOM 657 CA TRP A 166 4.295 -6.731 -0.279 1.00 0.00 C ATOM 658 C TRP A 166 5.797 -6.967 -0.331 1.00 0.00 C ATOM 659 O TRP A 166 6.272 -7.909 -0.966 1.00 0.00 O ATOM 660 CB TRP A 166 3.954 -5.395 -0.931 1.00 0.00 C ATOM 661 CG TRP A 166 4.207 -5.362 -2.403 1.00 0.00 C ATOM 662 CD1 TRP A 166 3.417 -5.870 -3.389 1.00 0.00 C ATOM 663 CD2 TRP A 166 5.333 -4.779 -3.051 1.00 0.00 C ATOM 664 NE1 TRP A 166 3.992 -5.637 -4.616 1.00 0.00 N ATOM 665 CE2 TRP A 166 5.170 -4.970 -4.432 1.00 0.00 C ATOM 666 CE3 TRP A 166 6.465 -4.115 -2.592 1.00 0.00 C ATOM 667 CZ2 TRP A 166 6.100 -4.519 -5.362 1.00 0.00 C ATOM 668 CZ3 TRP A 166 7.391 -3.664 -3.513 1.00 0.00 C ATOM 669 CH2 TRP A 166 7.203 -3.868 -4.886 1.00 0.00 C ATOM 0 H TRP A 166 3.398 -5.854 1.393 1.00 0.00 H new ATOM 0 HA TRP A 166 3.800 -7.537 -0.821 1.00 0.00 H new ATOM 0 HB2 TRP A 166 2.904 -5.169 -0.747 1.00 0.00 H new ATOM 0 HB3 TRP A 166 4.538 -4.608 -0.453 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.478 -6.380 -3.231 1.00 0.00 H new ATOM 0 HE1 TRP A 166 3.603 -5.916 -5.516 1.00 0.00 H new ATOM 0 HE3 TRP A 166 6.618 -3.955 -1.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 5.956 -4.677 -6.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 8.274 -3.146 -3.169 1.00 0.00 H new ATOM 0 HH2 TRP A 166 7.944 -3.504 -5.582 1.00 0.00 H new ATOM 680 N LEU A 167 6.536 -6.102 0.352 1.00 0.00 N ATOM 681 CA LEU A 167 7.992 -6.203 0.401 1.00 0.00 C ATOM 682 C LEU A 167 8.427 -7.576 0.903 1.00 0.00 C ATOM 683 O LEU A 167 9.458 -8.104 0.485 1.00 0.00 O ATOM 684 CB LEU A 167 8.569 -5.111 1.305 1.00 0.00 C ATOM 685 CG LEU A 167 8.331 -3.680 0.820 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.821 -2.803 1.954 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.603 -3.093 0.219 1.00 0.00 C ATOM 0 H LEU A 167 6.151 -5.320 0.882 1.00 0.00 H new ATOM 0 HA LEU A 167 8.374 -6.069 -0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.137 -5.218 2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.643 -5.272 1.404 1.00 0.00 H new ATOM 0 HG LEU A 167 7.568 -3.710 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.659 -1.790 1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.882 -3.207 2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.557 -2.783 2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.410 -2.075 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.390 -3.082 0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 167 9.920 -3.702 -0.627 1.00 0.00 H new ATOM 699 N ALA A 168 7.635 -8.150 1.803 1.00 0.00 N ATOM 700 CA ALA A 168 7.937 -9.462 2.363 1.00 0.00 C ATOM 701 C ALA A 168 7.670 -10.570 1.348 1.00 0.00 C ATOM 702 O ALA A 168 8.261 -11.648 1.424 1.00 0.00 O ATOM 703 CB ALA A 168 7.123 -9.696 3.626 1.00 0.00 C ATOM 0 H ALA A 168 6.779 -7.727 2.160 1.00 0.00 H new ATOM 0 HA ALA A 168 8.997 -9.485 2.616 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.358 -10.679 4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.366 -8.930 4.363 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.060 -9.647 3.388 1.00 0.00 H new