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 Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0.0416 USER MOD Single : A 137 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00951) USER MOD Single : A 142 LYS NZ :NH3+ 151:sc= 0.822 (180deg=0.418) 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=-0.17) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 130 5.750 4.821 4.315 1.00 0.00 N ATOM 82 CA ILE A 130 6.391 4.982 3.015 1.00 0.00 C ATOM 83 C ILE A 130 5.594 4.286 1.917 1.00 0.00 C ATOM 84 O ILE A 130 5.492 3.061 1.892 1.00 0.00 O ATOM 85 CB ILE A 130 7.826 4.421 3.024 1.00 0.00 C ATOM 86 CG1 ILE A 130 8.589 4.919 4.255 1.00 0.00 C ATOM 87 CG2 ILE A 130 8.554 4.811 1.745 1.00 0.00 C ATOM 88 CD1 ILE A 130 9.117 3.803 5.129 1.00 0.00 C ATOM 0 HA ILE A 130 6.426 6.052 2.811 1.00 0.00 H new ATOM 0 HB ILE A 130 7.774 3.333 3.072 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.423 5.540 3.929 1.00 0.00 H new ATOM 0 HG13 ILE A 130 7.931 5.554 4.848 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.567 4.408 1.765 1.00 0.00 H new ATOM 0 HG22 ILE A 130 8.020 4.407 0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 130 8.598 5.897 1.668 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.646 4.228 5.982 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.285 3.195 5.485 1.00 0.00 H new ATOM 0 HD13 ILE A 130 9.800 3.181 4.551 1.00 0.00 H new ATOM 100 N ALA A 131 5.030 5.077 1.010 1.00 0.00 N ATOM 101 CA ALA A 131 4.245 4.536 -0.092 1.00 0.00 C ATOM 102 C ALA A 131 3.917 5.618 -1.115 1.00 0.00 C ATOM 103 O ALA A 131 4.004 6.811 -0.821 1.00 0.00 O ATOM 104 CB ALA A 131 2.967 3.898 0.429 1.00 0.00 C ATOM 0 H ALA A 131 5.102 6.094 1.017 1.00 0.00 H new ATOM 0 HA ALA A 131 4.843 3.771 -0.587 1.00 0.00 H new ATOM 0 HB1 ALA A 131 2.393 3.499 -0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 131 3.218 3.090 1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 131 2.373 4.648 0.952 1.00 0.00 H new ATOM 110 N MET A 132 3.536 5.194 -2.315 1.00 0.00 N ATOM 111 CA MET A 132 3.189 6.129 -3.379 1.00 0.00 C ATOM 112 C MET A 132 1.773 6.664 -3.185 1.00 0.00 C ATOM 113 O MET A 132 0.939 6.017 -2.551 1.00 0.00 O ATOM 114 CB MET A 132 3.309 5.448 -4.743 1.00 0.00 C ATOM 115 CG MET A 132 4.729 5.032 -5.094 1.00 0.00 C ATOM 116 SD MET A 132 4.984 4.861 -6.870 1.00 0.00 S ATOM 117 CE MET A 132 5.498 6.522 -7.301 1.00 0.00 C ATOM 0 H MET A 132 3.460 4.211 -2.575 1.00 0.00 H new ATOM 0 HA MET A 132 3.885 6.967 -3.339 1.00 0.00 H new ATOM 0 HB2 MET A 132 2.667 4.567 -4.757 1.00 0.00 H new ATOM 0 HB3 MET A 132 2.937 6.126 -5.512 1.00 0.00 H new ATOM 0 HG2 MET A 132 5.427 5.770 -4.700 1.00 0.00 H new ATOM 0 HG3 MET A 132 4.957 4.085 -4.605 1.00 0.00 H new ATOM 0 HE1 MET A 132 5.693 6.576 -8.372 1.00 0.00 H new ATOM 0 HE2 MET A 132 4.708 7.226 -7.040 1.00 0.00 H new ATOM 0 HE3 MET A 132 6.406 6.776 -6.753 1.00 0.00 H new ATOM 127 N PRO A 133 1.478 7.856 -3.731 1.00 0.00 N ATOM 128 CA PRO A 133 0.153 8.471 -3.612 1.00 0.00 C ATOM 129 C PRO A 133 -0.937 7.608 -4.236 1.00 0.00 C ATOM 130 O PRO A 133 -2.073 7.586 -3.763 1.00 0.00 O ATOM 131 CB PRO A 133 0.292 9.796 -4.372 1.00 0.00 C ATOM 132 CG PRO A 133 1.487 9.621 -5.246 1.00 0.00 C ATOM 133 CD PRO A 133 2.408 8.695 -4.505 1.00 0.00 C ATOM 0 HA PRO A 133 -0.142 8.600 -2.571 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.600 10.007 -4.962 1.00 0.00 H new ATOM 0 HB3 PRO A 133 0.425 10.632 -3.685 1.00 0.00 H new ATOM 0 HG2 PRO A 133 1.206 9.202 -6.212 1.00 0.00 H new ATOM 0 HG3 PRO A 133 1.971 10.578 -5.442 1.00 0.00 H new ATOM 0 HD2 PRO A 133 3.017 8.101 -5.186 1.00 0.00 H new ATOM 0 HD3 PRO A 133 3.094 9.241 -3.857 1.00 0.00 H new ATOM 141 N SER A 134 -0.583 6.893 -5.299 1.00 0.00 N ATOM 142 CA SER A 134 -1.532 6.023 -5.984 1.00 0.00 C ATOM 143 C SER A 134 -1.915 4.845 -5.093 1.00 0.00 C ATOM 144 O SER A 134 -3.046 4.362 -5.135 1.00 0.00 O ATOM 145 CB SER A 134 -0.937 5.514 -7.298 1.00 0.00 C ATOM 146 OG SER A 134 0.003 6.436 -7.823 1.00 0.00 O ATOM 0 H SER A 134 0.353 6.899 -5.704 1.00 0.00 H new ATOM 0 HA SER A 134 -2.429 6.601 -6.205 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.454 4.551 -7.133 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.735 5.350 -8.023 1.00 0.00 H new ATOM 0 HG SER A 134 0.370 6.087 -8.662 1.00 0.00 H new ATOM 152 N VAL A 135 -0.962 4.390 -4.286 1.00 0.00 N ATOM 153 CA VAL A 135 -1.195 3.272 -3.381 1.00 0.00 C ATOM 154 C VAL A 135 -2.037 3.704 -2.192 1.00 0.00 C ATOM 155 O VAL A 135 -3.012 3.044 -1.835 1.00 0.00 O ATOM 156 CB VAL A 135 0.129 2.672 -2.879 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.124 1.438 -2.026 1.00 0.00 C ATOM 158 CG2 VAL A 135 1.030 2.338 -4.056 1.00 0.00 C ATOM 0 H VAL A 135 -0.020 4.779 -4.241 1.00 0.00 H new ATOM 0 HA VAL A 135 -1.733 2.509 -3.944 1.00 0.00 H new ATOM 0 HB VAL A 135 0.630 3.412 -2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 135 0.827 1.032 -1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -0.734 1.710 -1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.647 0.687 -2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 135 1.965 1.914 -3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 135 0.532 1.615 -4.702 1.00 0.00 H new ATOM 0 HG23 VAL A 135 1.241 3.245 -4.622 1.00 0.00 H new ATOM 168 N ARG A 136 -1.665 4.827 -1.589 1.00 0.00 N ATOM 169 CA ARG A 136 -2.401 5.354 -0.448 1.00 0.00 C ATOM 170 C ARG A 136 -3.849 5.596 -0.842 1.00 0.00 C ATOM 171 O ARG A 136 -4.776 5.155 -0.163 1.00 0.00 O ATOM 172 CB ARG A 136 -1.767 6.656 0.042 1.00 0.00 C ATOM 173 CG ARG A 136 -0.801 6.459 1.196 1.00 0.00 C ATOM 174 CD ARG A 136 -1.467 6.732 2.536 1.00 0.00 C ATOM 175 NE ARG A 136 -0.709 7.690 3.338 1.00 0.00 N ATOM 176 CZ ARG A 136 -0.738 9.006 3.141 1.00 0.00 C ATOM 177 NH1 ARG A 136 -1.485 9.524 2.175 1.00 0.00 N ATOM 178 NH2 ARG A 136 -0.017 9.807 3.914 1.00 0.00 N ATOM 0 H ARG A 136 -0.861 5.388 -1.870 1.00 0.00 H new ATOM 0 HA ARG A 136 -2.364 4.626 0.362 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -1.240 7.129 -0.787 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -2.556 7.342 0.351 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.418 5.439 1.181 1.00 0.00 H new ATOM 0 HG3 ARG A 136 0.055 7.123 1.072 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.474 7.115 2.369 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.569 5.797 3.088 1.00 0.00 H new ATOM 0 HE ARG A 136 -0.124 7.329 4.092 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -2.042 8.913 1.578 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -1.503 10.533 2.030 1.00 0.00 H new ATOM 0 HH21 ARG A 136 0.559 9.414 4.659 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -0.038 10.816 3.764 1.00 0.00 H new ATOM 192 N LYS A 137 -4.028 6.282 -1.962 1.00 0.00 N ATOM 193 CA LYS A 137 -5.358 6.569 -2.478 1.00 0.00 C ATOM 194 C LYS A 137 -6.091 5.263 -2.770 1.00 0.00 C ATOM 195 O LYS A 137 -7.278 5.124 -2.476 1.00 0.00 O ATOM 196 CB LYS A 137 -5.260 7.430 -3.744 1.00 0.00 C ATOM 197 CG LYS A 137 -6.483 7.350 -4.646 1.00 0.00 C ATOM 198 CD LYS A 137 -7.737 7.825 -3.931 1.00 0.00 C ATOM 199 CE LYS A 137 -8.791 8.307 -4.915 1.00 0.00 C ATOM 200 NZ LYS A 137 -9.255 7.213 -5.811 1.00 0.00 N ATOM 0 H LYS A 137 -3.266 6.651 -2.532 1.00 0.00 H new ATOM 0 HA LYS A 137 -5.921 7.126 -1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -5.104 8.469 -3.453 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -4.382 7.123 -4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -6.319 7.957 -5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -6.622 6.322 -4.981 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -8.144 7.012 -3.329 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -7.482 8.633 -3.245 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -9.641 8.712 -4.367 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -8.382 9.120 -5.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -10.009 7.569 -6.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -8.459 6.877 -6.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -9.622 6.427 -5.238 1.00 0.00 H new ATOM 214 N TRP A 138 -5.366 4.303 -3.341 1.00 0.00 N ATOM 215 CA TRP A 138 -5.939 3.004 -3.659 1.00 0.00 C ATOM 216 C TRP A 138 -6.451 2.331 -2.389 1.00 0.00 C ATOM 217 O TRP A 138 -7.582 1.848 -2.337 1.00 0.00 O ATOM 218 CB TRP A 138 -4.891 2.129 -4.354 1.00 0.00 C ATOM 219 CG TRP A 138 -5.269 0.682 -4.442 1.00 0.00 C ATOM 220 CD1 TRP A 138 -4.656 -0.358 -3.811 1.00 0.00 C ATOM 221 CD2 TRP A 138 -6.341 0.117 -5.204 1.00 0.00 C ATOM 222 NE1 TRP A 138 -5.278 -1.540 -4.134 1.00 0.00 N ATOM 223 CE2 TRP A 138 -6.316 -1.273 -4.989 1.00 0.00 C ATOM 224 CE3 TRP A 138 -7.319 0.652 -6.048 1.00 0.00 C ATOM 225 CZ2 TRP A 138 -7.232 -2.135 -5.587 1.00 0.00 C ATOM 226 CZ3 TRP A 138 -8.227 -0.205 -6.642 1.00 0.00 C ATOM 227 CH2 TRP A 138 -8.179 -1.585 -6.408 1.00 0.00 C ATOM 0 H TRP A 138 -4.382 4.403 -3.591 1.00 0.00 H new ATOM 0 HA TRP A 138 -6.782 3.140 -4.337 1.00 0.00 H new ATOM 0 HB2 TRP A 138 -4.722 2.512 -5.360 1.00 0.00 H new ATOM 0 HB3 TRP A 138 -3.946 2.215 -3.817 1.00 0.00 H new ATOM 0 HD1 TRP A 138 -3.805 -0.267 -3.153 1.00 0.00 H new ATOM 0 HE1 TRP A 138 -5.011 -2.464 -3.794 1.00 0.00 H new ATOM 0 HE3 TRP A 138 -7.364 1.715 -6.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 -7.196 -3.200 -5.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 -8.986 0.196 -7.297 1.00 0.00 H new ATOM 0 HH2 TRP A 138 -8.904 -2.228 -6.885 1.00 0.00 H new ATOM 238 N ALA A 139 -5.614 2.322 -1.362 1.00 0.00 N ATOM 239 CA ALA A 139 -5.983 1.730 -0.088 1.00 0.00 C ATOM 240 C ALA A 139 -7.205 2.437 0.486 1.00 0.00 C ATOM 241 O ALA A 139 -8.185 1.798 0.863 1.00 0.00 O ATOM 242 CB ALA A 139 -4.816 1.801 0.885 1.00 0.00 C ATOM 0 H ALA A 139 -4.675 2.719 -1.388 1.00 0.00 H new ATOM 0 HA ALA A 139 -6.234 0.681 -0.247 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -5.107 1.354 1.835 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -3.966 1.257 0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.538 2.843 1.044 1.00 0.00 H new ATOM 248 N ARG A 140 -7.141 3.763 0.537 1.00 0.00 N ATOM 249 CA ARG A 140 -8.245 4.562 1.057 1.00 0.00 C ATOM 250 C ARG A 140 -9.534 4.277 0.292 1.00 0.00 C ATOM 251 O ARG A 140 -10.631 4.400 0.838 1.00 0.00 O ATOM 252 CB ARG A 140 -7.907 6.052 0.972 1.00 0.00 C ATOM 253 CG ARG A 140 -8.707 6.913 1.935 1.00 0.00 C ATOM 254 CD ARG A 140 -8.341 6.617 3.381 1.00 0.00 C ATOM 255 NE ARG A 140 -9.269 5.674 3.999 1.00 0.00 N ATOM 256 CZ ARG A 140 -10.473 6.010 4.458 1.00 0.00 C ATOM 257 NH1 ARG A 140 -10.897 7.265 4.372 1.00 0.00 N ATOM 258 NH2 ARG A 140 -11.253 5.090 5.006 1.00 0.00 N ATOM 0 H ARG A 140 -6.337 4.307 0.225 1.00 0.00 H new ATOM 0 HA ARG A 140 -8.397 4.289 2.101 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -6.844 6.187 1.174 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -8.085 6.399 -0.046 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -8.525 7.966 1.721 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -9.772 6.736 1.784 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -7.330 6.211 3.423 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -8.335 7.546 3.951 1.00 0.00 H new ATOM 0 HE ARG A 140 -8.978 4.700 4.084 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -10.300 7.978 3.953 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -11.820 7.517 4.725 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -10.931 4.125 5.076 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -12.175 5.347 5.358 1.00 0.00 H new ATOM 272 N GLU A 141 -9.399 3.898 -0.977 1.00 0.00 N ATOM 273 CA GLU A 141 -10.559 3.600 -1.810 1.00 0.00 C ATOM 274 C GLU A 141 -11.077 2.186 -1.544 1.00 0.00 C ATOM 275 O GLU A 141 -12.266 1.911 -1.707 1.00 0.00 O ATOM 276 CB GLU A 141 -10.214 3.792 -3.298 1.00 0.00 C ATOM 277 CG GLU A 141 -9.674 2.549 -4.000 1.00 0.00 C ATOM 278 CD GLU A 141 -10.620 2.024 -5.062 1.00 0.00 C ATOM 279 OE1 GLU A 141 -11.520 1.230 -4.715 1.00 0.00 O ATOM 280 OE2 GLU A 141 -10.461 2.407 -6.241 1.00 0.00 O ATOM 0 H GLU A 141 -8.501 3.791 -1.448 1.00 0.00 H new ATOM 0 HA GLU A 141 -11.356 4.297 -1.551 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -11.109 4.127 -3.823 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -9.476 4.589 -3.384 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -8.713 2.783 -4.458 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -9.493 1.768 -3.261 1.00 0.00 H new ATOM 287 N LYS A 142 -10.177 1.294 -1.138 1.00 0.00 N ATOM 288 CA LYS A 142 -10.546 -0.090 -0.856 1.00 0.00 C ATOM 289 C LYS A 142 -10.800 -0.313 0.637 1.00 0.00 C ATOM 290 O LYS A 142 -11.190 -1.407 1.047 1.00 0.00 O ATOM 291 CB LYS A 142 -9.450 -1.039 -1.345 1.00 0.00 C ATOM 292 CG LYS A 142 -9.985 -2.262 -2.072 1.00 0.00 C ATOM 293 CD LYS A 142 -9.774 -2.158 -3.574 1.00 0.00 C ATOM 294 CE LYS A 142 -10.985 -2.656 -4.344 1.00 0.00 C ATOM 295 NZ LYS A 142 -12.017 -1.596 -4.504 1.00 0.00 N ATOM 0 H LYS A 142 -9.189 1.504 -0.997 1.00 0.00 H new ATOM 0 HA LYS A 142 -11.473 -0.300 -1.390 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -8.780 -0.495 -2.011 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -8.856 -1.365 -0.491 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -9.488 -3.156 -1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -11.048 -2.375 -1.860 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -9.572 -1.121 -3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -8.896 -2.738 -3.860 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -10.671 -3.007 -5.327 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -11.420 -3.510 -3.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -12.552 -1.762 -5.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -12.667 -1.619 -3.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -11.555 -0.666 -4.551 1.00 0.00 H new ATOM 309 N GLY A 143 -10.575 0.720 1.446 1.00 0.00 N ATOM 310 CA GLY A 143 -10.788 0.598 2.877 1.00 0.00 C ATOM 311 C GLY A 143 -9.538 0.160 3.623 1.00 0.00 C ATOM 312 O GLY A 143 -9.594 -0.146 4.814 1.00 0.00 O ATOM 0 H GLY A 143 -10.250 1.636 1.137 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -11.125 1.556 3.273 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -11.586 -0.121 3.061 1.00 0.00 H new ATOM 316 N VAL A 144 -8.408 0.131 2.922 1.00 0.00 N ATOM 317 CA VAL A 144 -7.141 -0.268 3.521 1.00 0.00 C ATOM 318 C VAL A 144 -6.286 0.946 3.863 1.00 0.00 C ATOM 319 O VAL A 144 -6.297 1.947 3.148 1.00 0.00 O ATOM 320 CB VAL A 144 -6.338 -1.191 2.582 1.00 0.00 C ATOM 321 CG1 VAL A 144 -5.112 -1.739 3.298 1.00 0.00 C ATOM 322 CG2 VAL A 144 -7.214 -2.323 2.066 1.00 0.00 C ATOM 0 H VAL A 144 -8.346 0.380 1.935 1.00 0.00 H new ATOM 0 HA VAL A 144 -7.385 -0.810 4.435 1.00 0.00 H new ATOM 0 HB VAL A 144 -6.002 -0.606 1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -4.556 -2.389 2.622 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -4.475 -0.913 3.613 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -5.426 -2.309 4.172 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -6.629 -2.963 1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -7.583 -2.910 2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -8.058 -1.908 1.515 1.00 0.00 H new ATOM 332 N ASP A 145 -5.542 0.847 4.959 1.00 0.00 N ATOM 333 CA ASP A 145 -4.673 1.934 5.394 1.00 0.00 C ATOM 334 C ASP A 145 -3.209 1.569 5.172 1.00 0.00 C ATOM 335 O ASP A 145 -2.721 0.573 5.702 1.00 0.00 O ATOM 336 CB ASP A 145 -4.917 2.251 6.870 1.00 0.00 C ATOM 337 CG ASP A 145 -4.390 3.617 7.262 1.00 0.00 C ATOM 338 OD1 ASP A 145 -3.364 4.045 6.691 1.00 0.00 O ATOM 339 OD2 ASP A 145 -5.002 4.261 8.140 1.00 0.00 O ATOM 0 H ASP A 145 -5.523 0.025 5.563 1.00 0.00 H new ATOM 0 HA ASP A 145 -4.906 2.819 4.801 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -5.986 2.204 7.077 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -4.439 1.490 7.486 1.00 0.00 H new ATOM 344 N ILE A 146 -2.509 2.374 4.384 1.00 0.00 N ATOM 345 CA ILE A 146 -1.100 2.122 4.099 1.00 0.00 C ATOM 346 C ILE A 146 -0.305 1.880 5.385 1.00 0.00 C ATOM 347 O ILE A 146 0.719 1.197 5.377 1.00 0.00 O ATOM 348 CB ILE A 146 -0.474 3.292 3.307 1.00 0.00 C ATOM 349 CG1 ILE A 146 0.633 2.776 2.389 1.00 0.00 C ATOM 350 CG2 ILE A 146 0.063 4.370 4.242 1.00 0.00 C ATOM 351 CD1 ILE A 146 0.136 2.368 1.018 1.00 0.00 C ATOM 0 H ILE A 146 -2.891 3.205 3.931 1.00 0.00 H new ATOM 0 HA ILE A 146 -1.052 1.220 3.488 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.256 3.743 2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 146 1.392 3.550 2.277 1.00 0.00 H new ATOM 0 HG13 ILE A 146 1.117 1.921 2.861 1.00 0.00 H new ATOM 0 HG21 ILE A 146 0.497 5.179 3.654 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -0.751 4.761 4.852 1.00 0.00 H new ATOM 0 HG23 ILE A 146 0.828 3.942 4.890 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.974 2.012 0.418 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.602 1.572 1.120 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -0.322 3.226 0.527 1.00 0.00 H new ATOM 363 N ARG A 147 -0.786 2.454 6.483 1.00 0.00 N ATOM 364 CA ARG A 147 -0.127 2.317 7.779 1.00 0.00 C ATOM 365 C ARG A 147 -0.023 0.856 8.219 1.00 0.00 C ATOM 366 O ARG A 147 0.819 0.513 9.049 1.00 0.00 O ATOM 367 CB ARG A 147 -0.880 3.122 8.840 1.00 0.00 C ATOM 368 CG ARG A 147 -0.831 4.624 8.614 1.00 0.00 C ATOM 369 CD ARG A 147 -1.700 5.367 9.615 1.00 0.00 C ATOM 370 NE ARG A 147 -2.161 6.652 9.093 1.00 0.00 N ATOM 371 CZ ARG A 147 -1.374 7.714 8.941 1.00 0.00 C ATOM 372 NH1 ARG A 147 -0.089 7.651 9.269 1.00 0.00 N ATOM 373 NH2 ARG A 147 -1.873 8.845 8.460 1.00 0.00 N ATOM 0 H ARG A 147 -1.634 3.021 6.502 1.00 0.00 H new ATOM 0 HA ARG A 147 0.886 2.705 7.671 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -1.921 2.800 8.857 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.460 2.897 9.820 1.00 0.00 H new ATOM 0 HG2 ARG A 147 0.199 4.972 8.696 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -1.165 4.852 7.602 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -2.561 4.751 9.875 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -1.136 5.530 10.534 1.00 0.00 H new ATOM 0 HE ARG A 147 -3.143 6.740 8.830 1.00 0.00 H new ATOM 0 HH11 ARG A 147 0.301 6.785 9.640 1.00 0.00 H new ATOM 0 HH12 ARG A 147 0.508 8.469 9.150 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -2.860 8.900 8.207 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -1.270 9.659 8.343 1.00 0.00 H new ATOM 387 N LEU A 148 -0.878 -0.006 7.670 1.00 0.00 N ATOM 388 CA LEU A 148 -0.859 -1.424 8.030 1.00 0.00 C ATOM 389 C LEU A 148 -0.382 -2.290 6.870 1.00 0.00 C ATOM 390 O LEU A 148 -0.739 -3.464 6.778 1.00 0.00 O ATOM 391 CB LEU A 148 -2.245 -1.895 8.484 1.00 0.00 C ATOM 392 CG LEU A 148 -3.426 -1.257 7.755 1.00 0.00 C ATOM 393 CD1 LEU A 148 -3.635 -1.909 6.397 1.00 0.00 C ATOM 394 CD2 LEU A 148 -4.689 -1.366 8.589 1.00 0.00 C ATOM 0 H LEU A 148 -1.586 0.249 6.981 1.00 0.00 H new ATOM 0 HA LEU A 148 -0.157 -1.533 8.856 1.00 0.00 H new ATOM 0 HB2 LEU A 148 -2.302 -2.976 8.356 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -2.347 -1.694 9.550 1.00 0.00 H new ATOM 0 HG LEU A 148 -3.200 -0.202 7.601 1.00 0.00 H new ATOM 0 HD11 LEU A 148 -4.481 -1.440 5.894 1.00 0.00 H new ATOM 0 HD12 LEU A 148 -2.738 -1.783 5.791 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -3.836 -2.972 6.531 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -5.519 -0.906 8.053 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -4.914 -2.417 8.774 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -4.542 -0.854 9.540 1.00 0.00 H new ATOM 406 N VAL A 149 0.425 -1.714 5.987 1.00 0.00 N ATOM 407 CA VAL A 149 0.938 -2.453 4.841 1.00 0.00 C ATOM 408 C VAL A 149 2.454 -2.323 4.726 1.00 0.00 C ATOM 409 O VAL A 149 2.973 -1.271 4.352 1.00 0.00 O ATOM 410 CB VAL A 149 0.286 -1.978 3.529 1.00 0.00 C ATOM 411 CG1 VAL A 149 0.695 -2.878 2.375 1.00 0.00 C ATOM 412 CG2 VAL A 149 -1.231 -1.937 3.670 1.00 0.00 C ATOM 0 H VAL A 149 0.736 -0.744 6.042 1.00 0.00 H new ATOM 0 HA VAL A 149 0.684 -3.500 5.005 1.00 0.00 H new ATOM 0 HB VAL A 149 0.636 -0.968 3.315 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.225 -2.528 1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 149 1.779 -2.853 2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.375 -3.900 2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -1.674 -1.599 2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -1.601 -2.934 3.908 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -1.504 -1.248 4.470 1.00 0.00 H new ATOM 422 N GLN A 150 3.158 -3.404 5.050 1.00 0.00 N ATOM 423 CA GLN A 150 4.615 -3.418 4.984 1.00 0.00 C ATOM 424 C GLN A 150 5.096 -3.427 3.536 1.00 0.00 C ATOM 425 O GLN A 150 5.425 -4.478 2.986 1.00 0.00 O ATOM 426 CB GLN A 150 5.166 -4.640 5.723 1.00 0.00 C ATOM 427 CG GLN A 150 6.684 -4.726 5.709 1.00 0.00 C ATOM 428 CD GLN A 150 7.294 -4.501 7.079 1.00 0.00 C ATOM 429 OE1 GLN A 150 7.563 -3.366 7.473 1.00 0.00 O ATOM 430 NE2 GLN A 150 7.517 -5.585 7.814 1.00 0.00 N ATOM 0 H GLN A 150 2.742 -4.282 5.361 1.00 0.00 H new ATOM 0 HA GLN A 150 4.984 -2.512 5.464 1.00 0.00 H new ATOM 0 HB2 GLN A 150 4.821 -4.615 6.757 1.00 0.00 H new ATOM 0 HB3 GLN A 150 4.755 -5.543 5.272 1.00 0.00 H new ATOM 0 HG2 GLN A 150 6.985 -5.706 5.338 1.00 0.00 H new ATOM 0 HG3 GLN A 150 7.080 -3.986 5.013 1.00 0.00 H new ATOM 0 HE21 GLN A 150 7.279 -6.507 7.448 1.00 0.00 H new ATOM 0 HE22 GLN A 150 7.926 -5.495 8.744 1.00 0.00 H new ATOM 439 N GLY A 151 5.132 -2.248 2.924 1.00 0.00 N ATOM 440 CA GLY A 151 5.572 -2.139 1.545 1.00 0.00 C ATOM 441 C GLY A 151 6.959 -2.714 1.326 1.00 0.00 C ATOM 442 O GLY A 151 7.852 -2.530 2.152 1.00 0.00 O ATOM 0 H GLY A 151 4.864 -1.365 3.359 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.862 -2.657 0.899 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.567 -1.090 1.248 1.00 0.00 H new ATOM 446 N THR A 152 7.138 -3.414 0.210 1.00 0.00 N ATOM 447 CA THR A 152 8.425 -4.021 -0.116 1.00 0.00 C ATOM 448 C THR A 152 8.992 -3.446 -1.412 1.00 0.00 C ATOM 449 O THR A 152 9.767 -4.105 -2.104 1.00 0.00 O ATOM 450 CB THR A 152 8.280 -5.537 -0.240 1.00 0.00 C ATOM 451 OG1 THR A 152 7.245 -6.013 0.603 1.00 0.00 O ATOM 452 CG2 THR A 152 9.544 -6.291 0.114 1.00 0.00 C ATOM 0 H THR A 152 6.408 -3.575 -0.484 1.00 0.00 H new ATOM 0 HA THR A 152 9.118 -3.792 0.693 1.00 0.00 H new ATOM 0 HB THR A 152 8.050 -5.720 -1.290 1.00 0.00 H new ATOM 0 HG1 THR A 152 7.167 -6.985 0.508 1.00 0.00 H new ATOM 0 HG21 THR A 152 9.372 -7.362 0.005 1.00 0.00 H new ATOM 0 HG22 THR A 152 10.350 -5.983 -0.552 1.00 0.00 H new ATOM 0 HG23 THR A 152 9.822 -6.072 1.145 1.00 0.00 H new ATOM 460 N GLY A 153 8.601 -2.218 -1.738 1.00 0.00 N ATOM 461 CA GLY A 153 9.082 -1.588 -2.955 1.00 0.00 C ATOM 462 C GLY A 153 10.284 -0.692 -2.720 1.00 0.00 C ATOM 463 O GLY A 153 10.260 0.172 -1.846 1.00 0.00 O ATOM 0 H GLY A 153 7.962 -1.649 -1.183 1.00 0.00 H new ATOM 0 HA2 GLY A 153 9.346 -2.360 -3.678 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.277 -1.000 -3.396 1.00 0.00 H new ATOM 467 N LYS A 154 11.334 -0.900 -3.509 1.00 0.00 N ATOM 468 CA LYS A 154 12.557 -0.108 -3.398 1.00 0.00 C ATOM 469 C LYS A 154 13.077 -0.072 -1.958 1.00 0.00 C ATOM 470 O LYS A 154 13.894 -0.905 -1.567 1.00 0.00 O ATOM 471 CB LYS A 154 12.314 1.315 -3.912 1.00 0.00 C ATOM 472 CG LYS A 154 12.805 1.540 -5.333 1.00 0.00 C ATOM 473 CD LYS A 154 11.960 0.780 -6.341 1.00 0.00 C ATOM 474 CE LYS A 154 10.897 1.674 -6.961 1.00 0.00 C ATOM 475 NZ LYS A 154 11.379 2.326 -8.210 1.00 0.00 N ATOM 0 H LYS A 154 11.363 -1.614 -4.236 1.00 0.00 H new ATOM 0 HA LYS A 154 13.320 -0.585 -4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 154 11.247 1.532 -3.867 1.00 0.00 H new ATOM 0 HB3 LYS A 154 12.811 2.022 -3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 154 12.778 2.605 -5.564 1.00 0.00 H new ATOM 0 HG3 LYS A 154 13.844 1.222 -5.415 1.00 0.00 H new ATOM 0 HD2 LYS A 154 12.601 0.377 -7.125 1.00 0.00 H new ATOM 0 HD3 LYS A 154 11.483 -0.069 -5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 154 10.008 1.083 -7.180 1.00 0.00 H new ATOM 0 HE3 LYS A 154 10.602 2.439 -6.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 10.625 2.926 -8.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 12.212 2.911 -7.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 11.637 1.597 -8.905 1.00 0.00 H new ATOM 489 N ASN A 155 12.604 0.895 -1.173 1.00 0.00 N ATOM 490 CA ASN A 155 13.031 1.028 0.216 1.00 0.00 C ATOM 491 C ASN A 155 11.940 0.561 1.174 1.00 0.00 C ATOM 492 O ASN A 155 11.878 1.004 2.321 1.00 0.00 O ATOM 493 CB ASN A 155 13.401 2.482 0.518 1.00 0.00 C ATOM 494 CG ASN A 155 14.668 2.916 -0.191 1.00 0.00 C ATOM 495 OD1 ASN A 155 15.688 2.227 -0.143 1.00 0.00 O ATOM 496 ND2 ASN A 155 14.611 4.065 -0.854 1.00 0.00 N ATOM 0 H ASN A 155 11.927 1.595 -1.476 1.00 0.00 H new ATOM 0 HA ASN A 155 13.907 0.396 0.361 1.00 0.00 H new ATOM 0 HB2 ASN A 155 12.579 3.133 0.218 1.00 0.00 H new ATOM 0 HB3 ASN A 155 13.529 2.605 1.593 1.00 0.00 H new ATOM 0 HD21 ASN A 155 15.433 4.409 -1.350 1.00 0.00 H new ATOM 0 HD22 ASN A 155 13.745 4.604 -0.867 1.00 0.00 H new ATOM 503 N GLY A 156 11.085 -0.339 0.700 1.00 0.00 N ATOM 504 CA GLY A 156 10.013 -0.851 1.532 1.00 0.00 C ATOM 505 C GLY A 156 8.732 -0.050 1.399 1.00 0.00 C ATOM 506 O GLY A 156 7.897 -0.051 2.303 1.00 0.00 O ATOM 0 H GLY A 156 11.116 -0.722 -0.245 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.816 -1.889 1.265 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.333 -0.845 2.574 1.00 0.00 H new ATOM 510 N ARG A 157 8.571 0.632 0.269 1.00 0.00 N ATOM 511 CA ARG A 157 7.376 1.432 0.029 1.00 0.00 C ATOM 512 C ARG A 157 6.247 0.561 -0.514 1.00 0.00 C ATOM 513 O ARG A 157 6.466 -0.288 -1.379 1.00 0.00 O ATOM 514 CB ARG A 157 7.679 2.573 -0.946 1.00 0.00 C ATOM 515 CG ARG A 157 8.209 2.104 -2.292 1.00 0.00 C ATOM 516 CD ARG A 157 7.747 3.014 -3.419 1.00 0.00 C ATOM 517 NE ARG A 157 8.719 4.069 -3.702 1.00 0.00 N ATOM 518 CZ ARG A 157 8.744 4.770 -4.834 1.00 0.00 C ATOM 519 NH1 ARG A 157 7.853 4.533 -5.789 1.00 0.00 N ATOM 520 NH2 ARG A 157 9.661 5.711 -5.010 1.00 0.00 N ATOM 0 H ARG A 157 9.250 0.647 -0.492 1.00 0.00 H new ATOM 0 HA ARG A 157 7.058 1.861 0.979 1.00 0.00 H new ATOM 0 HB2 ARG A 157 6.770 3.153 -1.106 1.00 0.00 H new ATOM 0 HB3 ARG A 157 8.409 3.243 -0.492 1.00 0.00 H new ATOM 0 HG2 ARG A 157 9.298 2.078 -2.267 1.00 0.00 H new ATOM 0 HG3 ARG A 157 7.871 1.086 -2.483 1.00 0.00 H new ATOM 0 HD2 ARG A 157 7.582 2.422 -4.319 1.00 0.00 H new ATOM 0 HD3 ARG A 157 6.790 3.464 -3.153 1.00 0.00 H new ATOM 0 HE ARG A 157 9.419 4.280 -2.991 1.00 0.00 H new ATOM 0 HH11 ARG A 157 7.145 3.811 -5.658 1.00 0.00 H new ATOM 0 HH12 ARG A 157 7.877 5.073 -6.654 1.00 0.00 H new ATOM 0 HH21 ARG A 157 10.347 5.898 -4.279 1.00 0.00 H new ATOM 0 HH22 ARG A 157 9.681 6.248 -5.877 1.00 0.00 H new ATOM 534 N VAL A 158 5.041 0.772 0.003 1.00 0.00 N ATOM 535 CA VAL A 158 3.880 0.000 -0.426 1.00 0.00 C ATOM 536 C VAL A 158 3.481 0.348 -1.856 1.00 0.00 C ATOM 537 O VAL A 158 3.342 1.519 -2.207 1.00 0.00 O ATOM 538 CB VAL A 158 2.672 0.233 0.501 1.00 0.00 C ATOM 539 CG1 VAL A 158 1.534 -0.708 0.140 1.00 0.00 C ATOM 540 CG2 VAL A 158 3.073 0.058 1.958 1.00 0.00 C ATOM 0 H VAL A 158 4.842 1.471 0.719 1.00 0.00 H new ATOM 0 HA VAL A 158 4.169 -1.050 -0.378 1.00 0.00 H new ATOM 0 HB VAL A 158 2.326 1.257 0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 158 0.689 -0.529 0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 158 1.228 -0.530 -0.891 1.00 0.00 H new ATOM 0 HG13 VAL A 158 1.868 -1.740 0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 158 2.206 0.227 2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 158 3.447 -0.954 2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 158 3.854 0.776 2.209 1.00 0.00 H new ATOM 550 N LEU A 159 3.294 -0.682 -2.675 1.00 0.00 N ATOM 551 CA LEU A 159 2.904 -0.493 -4.068 1.00 0.00 C ATOM 552 C LEU A 159 1.541 -1.122 -4.333 1.00 0.00 C ATOM 553 O LEU A 159 1.014 -1.859 -3.497 1.00 0.00 O ATOM 554 CB LEU A 159 3.947 -1.106 -5.006 1.00 0.00 C ATOM 555 CG LEU A 159 5.399 -0.988 -4.535 1.00 0.00 C ATOM 556 CD1 LEU A 159 6.247 -2.092 -5.148 1.00 0.00 C ATOM 557 CD2 LEU A 159 5.964 0.379 -4.889 1.00 0.00 C ATOM 0 H LEU A 159 3.406 -1.657 -2.398 1.00 0.00 H new ATOM 0 HA LEU A 159 2.842 0.578 -4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 159 3.712 -2.161 -5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 159 3.859 -0.629 -5.982 1.00 0.00 H new ATOM 0 HG LEU A 159 5.421 -1.098 -3.451 1.00 0.00 H new ATOM 0 HD11 LEU A 159 7.276 -1.994 -4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 159 5.854 -3.063 -4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 159 6.219 -2.011 -6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 159 6.997 0.446 -4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 159 5.930 0.518 -5.970 1.00 0.00 H new ATOM 0 HD23 LEU A 159 5.371 1.154 -4.405 1.00 0.00 H new ATOM 569 N LYS A 160 0.973 -0.835 -5.502 1.00 0.00 N ATOM 570 CA LYS A 160 -0.329 -1.380 -5.873 1.00 0.00 C ATOM 571 C LYS A 160 -0.354 -2.893 -5.681 1.00 0.00 C ATOM 572 O LYS A 160 -1.384 -3.470 -5.331 1.00 0.00 O ATOM 573 CB LYS A 160 -0.660 -1.030 -7.325 1.00 0.00 C ATOM 574 CG LYS A 160 -2.116 -0.649 -7.542 1.00 0.00 C ATOM 575 CD LYS A 160 -2.796 -1.573 -8.540 1.00 0.00 C ATOM 576 CE LYS A 160 -2.869 -2.999 -8.018 1.00 0.00 C ATOM 577 NZ LYS A 160 -3.605 -3.896 -8.951 1.00 0.00 N ATOM 0 H LYS A 160 1.393 -0.229 -6.207 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.082 -0.935 -5.223 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -0.025 -0.204 -7.645 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -0.417 -1.882 -7.960 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -2.648 -0.686 -6.591 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.174 0.379 -7.900 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -3.802 -1.209 -8.748 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -2.250 -1.557 -9.483 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -1.860 -3.382 -7.867 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -3.361 -3.005 -7.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -3.632 -4.859 -8.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -4.576 -3.545 -9.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -3.121 -3.911 -9.872 1.00 0.00 H new ATOM 591 N GLU A 161 0.792 -3.528 -5.905 1.00 0.00 N ATOM 592 CA GLU A 161 0.909 -4.972 -5.752 1.00 0.00 C ATOM 593 C GLU A 161 0.818 -5.363 -4.281 1.00 0.00 C ATOM 594 O GLU A 161 0.211 -6.375 -3.932 1.00 0.00 O ATOM 595 CB GLU A 161 2.233 -5.464 -6.343 1.00 0.00 C ATOM 596 CG GLU A 161 2.376 -5.182 -7.830 1.00 0.00 C ATOM 597 CD GLU A 161 3.805 -4.868 -8.228 1.00 0.00 C ATOM 598 OE1 GLU A 161 4.656 -5.780 -8.156 1.00 0.00 O ATOM 599 OE2 GLU A 161 4.074 -3.711 -8.613 1.00 0.00 O ATOM 0 H GLU A 161 1.653 -3.064 -6.193 1.00 0.00 H new ATOM 0 HA GLU A 161 0.086 -5.442 -6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 161 3.058 -4.990 -5.811 1.00 0.00 H new ATOM 0 HB3 GLU A 161 2.320 -6.537 -6.175 1.00 0.00 H new ATOM 0 HG2 GLU A 161 2.027 -6.046 -8.395 1.00 0.00 H new ATOM 0 HG3 GLU A 161 1.735 -4.343 -8.101 1.00 0.00 H new ATOM 606 N ASP A 162 1.423 -4.549 -3.420 1.00 0.00 N ATOM 607 CA ASP A 162 1.406 -4.806 -1.986 1.00 0.00 C ATOM 608 C ASP A 162 -0.019 -4.759 -1.451 1.00 0.00 C ATOM 609 O ASP A 162 -0.457 -5.667 -0.746 1.00 0.00 O ATOM 610 CB ASP A 162 2.278 -3.786 -1.251 1.00 0.00 C ATOM 611 CG ASP A 162 3.757 -3.995 -1.510 1.00 0.00 C ATOM 612 OD1 ASP A 162 4.135 -5.112 -1.925 1.00 0.00 O ATOM 613 OD2 ASP A 162 4.538 -3.043 -1.300 1.00 0.00 O ATOM 0 H ASP A 162 1.930 -3.707 -3.692 1.00 0.00 H new ATOM 0 HA ASP A 162 1.810 -5.803 -1.812 1.00 0.00 H new ATOM 0 HB2 ASP A 162 1.996 -2.780 -1.562 1.00 0.00 H new ATOM 0 HB3 ASP A 162 2.087 -3.853 -0.180 1.00 0.00 H new ATOM 618 N ILE A 163 -0.742 -3.699 -1.799 1.00 0.00 N ATOM 619 CA ILE A 163 -2.122 -3.544 -1.358 1.00 0.00 C ATOM 620 C ILE A 163 -2.969 -4.716 -1.840 1.00 0.00 C ATOM 621 O ILE A 163 -3.652 -5.370 -1.050 1.00 0.00 O ATOM 622 CB ILE A 163 -2.736 -2.226 -1.871 1.00 0.00 C ATOM 623 CG1 ILE A 163 -1.847 -1.041 -1.493 1.00 0.00 C ATOM 624 CG2 ILE A 163 -4.139 -2.042 -1.308 1.00 0.00 C ATOM 625 CD1 ILE A 163 -1.640 -0.893 -0.001 1.00 0.00 C ATOM 0 H ILE A 163 -0.396 -2.938 -2.383 1.00 0.00 H new ATOM 0 HA ILE A 163 -2.114 -3.521 -0.268 1.00 0.00 H new ATOM 0 HB ILE A 163 -2.803 -2.273 -2.958 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -0.877 -1.156 -1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -2.291 -0.125 -1.883 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -4.560 -1.107 -1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -4.769 -2.874 -1.622 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -4.093 -2.013 -0.219 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -1.000 -0.033 0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -2.603 -0.746 0.487 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -1.167 -1.793 0.392 1.00 0.00 H new ATOM 637 N ASP A 164 -2.906 -4.988 -3.142 1.00 0.00 N ATOM 638 CA ASP A 164 -3.656 -6.093 -3.728 1.00 0.00 C ATOM 639 C ASP A 164 -3.328 -7.397 -3.008 1.00 0.00 C ATOM 640 O ASP A 164 -4.184 -8.268 -2.854 1.00 0.00 O ATOM 641 CB ASP A 164 -3.339 -6.223 -5.218 1.00 0.00 C ATOM 642 CG ASP A 164 -4.337 -7.101 -5.947 1.00 0.00 C ATOM 643 OD1 ASP A 164 -5.545 -7.008 -5.640 1.00 0.00 O ATOM 644 OD2 ASP A 164 -3.912 -7.880 -6.825 1.00 0.00 O ATOM 0 H ASP A 164 -2.344 -4.459 -3.809 1.00 0.00 H new ATOM 0 HA ASP A 164 -4.720 -5.886 -3.614 1.00 0.00 H new ATOM 0 HB2 ASP A 164 -3.331 -5.232 -5.673 1.00 0.00 H new ATOM 0 HB3 ASP A 164 -2.338 -6.638 -5.339 1.00 0.00 H new ATOM 649 N ALA A 165 -2.083 -7.513 -2.558 1.00 0.00 N ATOM 650 CA ALA A 165 -1.639 -8.701 -1.840 1.00 0.00 C ATOM 651 C ALA A 165 -2.155 -8.674 -0.408 1.00 0.00 C ATOM 652 O ALA A 165 -2.465 -9.714 0.175 1.00 0.00 O ATOM 653 CB ALA A 165 -0.122 -8.797 -1.860 1.00 0.00 C ATOM 0 H ALA A 165 -1.364 -6.799 -2.678 1.00 0.00 H new ATOM 0 HA ALA A 165 -2.045 -9.582 -2.338 1.00 0.00 H new ATOM 0 HB1 ALA A 165 0.193 -9.690 -1.320 1.00 0.00 H new ATOM 0 HB2 ALA A 165 0.225 -8.856 -2.892 1.00 0.00 H new ATOM 0 HB3 ALA A 165 0.305 -7.915 -1.383 1.00 0.00 H new ATOM 659 N PHE A 166 -2.252 -7.471 0.151 1.00 0.00 N ATOM 660 CA PHE A 166 -2.741 -7.296 1.511 1.00 0.00 C ATOM 661 C PHE A 166 -4.164 -7.826 1.637 1.00 0.00 C ATOM 662 O PHE A 166 -4.504 -8.501 2.610 1.00 0.00 O ATOM 663 CB PHE A 166 -2.694 -5.814 1.898 1.00 0.00 C ATOM 664 CG PHE A 166 -3.239 -5.531 3.267 1.00 0.00 C ATOM 665 CD1 PHE A 166 -4.602 -5.378 3.467 1.00 0.00 C ATOM 666 CD2 PHE A 166 -2.389 -5.416 4.354 1.00 0.00 C ATOM 667 CE1 PHE A 166 -5.106 -5.118 4.727 1.00 0.00 C ATOM 668 CE2 PHE A 166 -2.887 -5.156 5.616 1.00 0.00 C ATOM 669 CZ PHE A 166 -4.247 -5.006 5.803 1.00 0.00 C ATOM 0 H PHE A 166 -1.997 -6.603 -0.320 1.00 0.00 H new ATOM 0 HA PHE A 166 -2.100 -7.860 2.188 1.00 0.00 H new ATOM 0 HB2 PHE A 166 -1.662 -5.467 1.849 1.00 0.00 H new ATOM 0 HB3 PHE A 166 -3.259 -5.238 1.165 1.00 0.00 H new ATOM 0 HD1 PHE A 166 -5.278 -5.463 2.629 1.00 0.00 H new ATOM 0 HD2 PHE A 166 -1.324 -5.531 4.214 1.00 0.00 H new ATOM 0 HE1 PHE A 166 -6.170 -5.002 4.870 1.00 0.00 H new ATOM 0 HE2 PHE A 166 -2.213 -5.070 6.456 1.00 0.00 H new ATOM 0 HZ PHE A 166 -4.638 -4.802 6.789 1.00 0.00 H new ATOM 679 N LEU A 167 -4.993 -7.516 0.645 1.00 0.00 N ATOM 680 CA LEU A 167 -6.378 -7.958 0.637 1.00 0.00 C ATOM 681 C LEU A 167 -6.479 -9.421 0.220 1.00 0.00 C ATOM 682 O LEU A 167 -7.281 -10.180 0.764 1.00 0.00 O ATOM 683 CB LEU A 167 -7.196 -7.087 -0.314 1.00 0.00 C ATOM 684 CG LEU A 167 -7.423 -5.646 0.150 1.00 0.00 C ATOM 685 CD1 LEU A 167 -7.911 -5.618 1.591 1.00 0.00 C ATOM 686 CD2 LEU A 167 -6.148 -4.832 -0.005 1.00 0.00 C ATOM 0 H LEU A 167 -4.725 -6.958 -0.166 1.00 0.00 H new ATOM 0 HA LEU A 167 -6.776 -7.861 1.647 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -6.695 -7.065 -1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -8.166 -7.559 -0.468 1.00 0.00 H new ATOM 0 HG LEU A 167 -8.194 -5.198 -0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -8.067 -4.585 1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -8.850 -6.166 1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -7.166 -6.083 2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -6.326 -3.810 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -5.356 -5.278 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -5.847 -4.824 -1.052 1.00 0.00 H new ATOM 698 N ALA A 168 -5.660 -9.808 -0.751 1.00 0.00 N ATOM 699 CA ALA A 168 -5.655 -11.178 -1.248 1.00 0.00 C ATOM 700 C ALA A 168 -5.127 -12.147 -0.193 1.00 0.00 C ATOM 701 O ALA A 168 -5.451 -13.335 -0.212 1.00 0.00 O ATOM 702 CB ALA A 168 -4.824 -11.275 -2.518 1.00 0.00 C ATOM 0 H ALA A 168 -4.990 -9.191 -1.210 1.00 0.00 H new ATOM 0 HA ALA A 168 -6.684 -11.458 -1.476 1.00 0.00 H new ATOM 0 HB1 ALA A 168 -4.829 -12.304 -2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 168 -5.247 -10.621 -3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 168 -3.799 -10.970 -2.307 1.00 0.00 H new