USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 459 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 146 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 ASN :FLIP amide:sc=-0.00197 F(o=-0.94,f=-0.002) USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot -3:sc= -2.15! USER MOD Single : A 186 TYR OH : rot 180:sc= -0.0591 USER MOD Single : A 193 MET CE :methyl -125:sc= -0.755 (180deg=-1.48) USER MOD Single : A 196 SER OG : rot 82:sc= -0.345! USER MOD Single : A 201 ASN :FLIP amide:sc= -3.15! C(o=-7.6!,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.844 -2.864 -6.387 1.00 0.00 N ATOM 41 CA TYR A 146 4.515 -3.481 -6.113 1.00 0.00 C ATOM 42 C TYR A 146 3.408 -2.503 -6.508 1.00 0.00 C ATOM 43 O TYR A 146 3.655 -1.344 -6.778 1.00 0.00 O ATOM 44 CB TYR A 146 4.392 -3.793 -4.621 1.00 0.00 C ATOM 45 CG TYR A 146 5.174 -5.036 -4.291 1.00 0.00 C ATOM 46 CD1 TYR A 146 4.965 -6.209 -5.025 1.00 0.00 C ATOM 47 CD2 TYR A 146 6.100 -5.019 -3.243 1.00 0.00 C ATOM 48 CE1 TYR A 146 5.684 -7.368 -4.710 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.821 -6.175 -2.928 1.00 0.00 C ATOM 50 CZ TYR A 146 6.613 -7.352 -3.660 1.00 0.00 C ATOM 51 OH TYR A 146 7.322 -8.494 -3.350 1.00 0.00 O ATOM 0 HA TYR A 146 4.421 -4.401 -6.691 1.00 0.00 H new ATOM 0 HB2 TYR A 146 4.763 -2.953 -4.033 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.344 -3.931 -4.355 1.00 0.00 H new ATOM 0 HD1 TYR A 146 4.249 -6.220 -5.834 1.00 0.00 H new ATOM 0 HD2 TYR A 146 6.258 -4.113 -2.677 1.00 0.00 H new ATOM 0 HE1 TYR A 146 5.523 -8.274 -5.275 1.00 0.00 H new ATOM 0 HE2 TYR A 146 7.538 -6.161 -2.121 1.00 0.00 H new ATOM 0 HH TYR A 146 7.924 -8.312 -2.598 1.00 0.00 H new ATOM 61 N ARG A 147 2.186 -2.959 -6.533 1.00 0.00 N ATOM 62 CA ARG A 147 1.061 -2.056 -6.899 1.00 0.00 C ATOM 63 C ARG A 147 0.642 -1.251 -5.669 1.00 0.00 C ATOM 64 O ARG A 147 -0.288 -1.602 -4.970 1.00 0.00 O ATOM 65 CB ARG A 147 -0.123 -2.890 -7.394 1.00 0.00 C ATOM 66 CG ARG A 147 -0.024 -3.062 -8.910 1.00 0.00 C ATOM 67 CD ARG A 147 -0.094 -1.691 -9.583 1.00 0.00 C ATOM 68 NE ARG A 147 -0.748 -1.824 -10.914 1.00 0.00 N ATOM 69 CZ ARG A 147 -0.127 -1.426 -11.990 1.00 0.00 C ATOM 70 NH1 ARG A 147 0.935 -2.061 -12.405 1.00 0.00 N ATOM 71 NH2 ARG A 147 -0.568 -0.389 -12.651 1.00 0.00 N ATOM 0 H ARG A 147 1.919 -3.919 -6.315 1.00 0.00 H new ATOM 0 HA ARG A 147 1.378 -1.376 -7.690 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.125 -3.864 -6.906 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -1.061 -2.401 -7.133 1.00 0.00 H new ATOM 0 HG2 ARG A 147 0.910 -3.560 -9.170 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.834 -3.697 -9.269 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -0.655 -0.996 -8.958 1.00 0.00 H new ATOM 0 HD3 ARG A 147 0.909 -1.279 -9.698 1.00 0.00 H new ATOM 0 HE ARG A 147 -1.682 -2.227 -10.985 1.00 0.00 H new ATOM 0 HH11 ARG A 147 1.280 -2.870 -11.888 1.00 0.00 H new ATOM 0 HH12 ARG A 147 1.420 -1.749 -13.246 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -1.397 0.108 -12.326 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -0.083 -0.077 -13.492 1.00 0.00 H new ATOM 85 N GLY A 148 1.325 -0.173 -5.395 1.00 0.00 N ATOM 86 CA GLY A 148 0.969 0.655 -4.209 1.00 0.00 C ATOM 87 C GLY A 148 2.211 0.867 -3.340 1.00 0.00 C ATOM 88 O GLY A 148 2.136 1.422 -2.261 1.00 0.00 O ATOM 0 H GLY A 148 2.115 0.170 -5.942 1.00 0.00 H new ATOM 0 HA2 GLY A 148 0.569 1.617 -4.531 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.187 0.163 -3.630 1.00 0.00 H new ATOM 92 N VAL A 149 3.354 0.433 -3.797 1.00 0.00 N ATOM 93 CA VAL A 149 4.594 0.617 -2.992 1.00 0.00 C ATOM 94 C VAL A 149 5.595 1.460 -3.783 1.00 0.00 C ATOM 95 O VAL A 149 6.045 1.075 -4.844 1.00 0.00 O ATOM 96 CB VAL A 149 5.213 -0.748 -2.682 1.00 0.00 C ATOM 97 CG1 VAL A 149 6.536 -0.553 -1.943 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.256 -1.555 -1.802 1.00 0.00 C ATOM 0 H VAL A 149 3.482 -0.040 -4.691 1.00 0.00 H new ATOM 0 HA VAL A 149 4.347 1.123 -2.059 1.00 0.00 H new ATOM 0 HB VAL A 149 5.392 -1.284 -3.614 1.00 0.00 H new ATOM 0 HG11 VAL A 149 6.976 -1.525 -1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.220 0.022 -2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.357 -0.016 -1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 149 4.697 -2.527 -1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 149 4.078 -1.018 -0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.311 -1.696 -2.326 1.00 0.00 H new ATOM 108 N ARG A 150 5.952 2.605 -3.272 1.00 0.00 N ATOM 109 CA ARG A 150 6.928 3.469 -3.990 1.00 0.00 C ATOM 110 C ARG A 150 8.347 3.081 -3.569 1.00 0.00 C ATOM 111 O ARG A 150 8.727 3.232 -2.425 1.00 0.00 O ATOM 112 CB ARG A 150 6.669 4.935 -3.635 1.00 0.00 C ATOM 113 CG ARG A 150 7.779 5.808 -4.223 1.00 0.00 C ATOM 114 CD ARG A 150 7.161 7.031 -4.905 1.00 0.00 C ATOM 115 NE ARG A 150 6.304 7.765 -3.931 1.00 0.00 N ATOM 116 CZ ARG A 150 5.122 8.186 -4.291 1.00 0.00 C ATOM 117 NH1 ARG A 150 5.000 9.002 -5.302 1.00 0.00 N ATOM 118 NH2 ARG A 150 4.062 7.790 -3.641 1.00 0.00 N ATOM 0 H ARG A 150 5.609 2.980 -2.387 1.00 0.00 H new ATOM 0 HA ARG A 150 6.817 3.334 -5.066 1.00 0.00 H new ATOM 0 HB2 ARG A 150 5.701 5.249 -4.025 1.00 0.00 H new ATOM 0 HB3 ARG A 150 6.631 5.057 -2.552 1.00 0.00 H new ATOM 0 HG2 ARG A 150 8.463 6.125 -3.435 1.00 0.00 H new ATOM 0 HG3 ARG A 150 8.364 5.235 -4.942 1.00 0.00 H new ATOM 0 HD2 ARG A 150 7.947 7.687 -5.280 1.00 0.00 H new ATOM 0 HD3 ARG A 150 6.568 6.720 -5.765 1.00 0.00 H new ATOM 0 HE ARG A 150 6.641 7.938 -2.984 1.00 0.00 H new ATOM 0 HH11 ARG A 150 5.828 9.311 -5.811 1.00 0.00 H new ATOM 0 HH12 ARG A 150 4.076 9.331 -5.583 1.00 0.00 H new ATOM 0 HH21 ARG A 150 4.157 7.151 -2.851 1.00 0.00 H new ATOM 0 HH22 ARG A 150 3.139 8.119 -3.923 1.00 0.00 H new ATOM 132 N GLN A 151 9.129 2.575 -4.482 1.00 0.00 N ATOM 133 CA GLN A 151 10.520 2.171 -4.131 1.00 0.00 C ATOM 134 C GLN A 151 11.441 3.391 -4.182 1.00 0.00 C ATOM 135 O GLN A 151 11.200 4.334 -4.910 1.00 0.00 O ATOM 136 CB GLN A 151 11.011 1.117 -5.125 1.00 0.00 C ATOM 137 CG GLN A 151 11.050 1.718 -6.531 1.00 0.00 C ATOM 138 CD GLN A 151 12.406 1.421 -7.176 1.00 0.00 C ATOM 139 OE1 GLN A 151 12.854 0.292 -7.184 1.00 0.00 O ATOM 140 NE2 GLN A 151 13.083 2.395 -7.721 1.00 0.00 N ATOM 0 H GLN A 151 8.865 2.424 -5.456 1.00 0.00 H new ATOM 0 HA GLN A 151 10.531 1.755 -3.124 1.00 0.00 H new ATOM 0 HB2 GLN A 151 12.003 0.768 -4.840 1.00 0.00 H new ATOM 0 HB3 GLN A 151 10.351 0.250 -5.107 1.00 0.00 H new ATOM 0 HG2 GLN A 151 10.247 1.301 -7.139 1.00 0.00 H new ATOM 0 HG3 GLN A 151 10.886 2.795 -6.482 1.00 0.00 H new ATOM 0 HE21 GLN A 151 12.707 3.343 -7.715 1.00 0.00 H new ATOM 0 HE22 GLN A 151 13.988 2.208 -8.153 1.00 0.00 H new ATOM 149 N ARG A 152 12.494 3.378 -3.414 1.00 0.00 N ATOM 150 CA ARG A 152 13.433 4.534 -3.414 1.00 0.00 C ATOM 151 C ARG A 152 14.873 4.016 -3.403 1.00 0.00 C ATOM 152 O ARG A 152 15.101 2.827 -3.307 1.00 0.00 O ATOM 153 CB ARG A 152 13.191 5.384 -2.165 1.00 0.00 C ATOM 154 CG ARG A 152 12.628 6.745 -2.573 1.00 0.00 C ATOM 155 CD ARG A 152 12.760 7.722 -1.404 1.00 0.00 C ATOM 156 NE ARG A 152 11.514 7.689 -0.586 1.00 0.00 N ATOM 157 CZ ARG A 152 11.550 7.234 0.637 1.00 0.00 C ATOM 158 NH1 ARG A 152 12.436 7.691 1.478 1.00 0.00 N ATOM 159 NH2 ARG A 152 10.698 6.321 1.017 1.00 0.00 N ATOM 0 H ARG A 152 12.745 2.615 -2.785 1.00 0.00 H new ATOM 0 HA ARG A 152 13.268 5.139 -4.305 1.00 0.00 H new ATOM 0 HB2 ARG A 152 12.495 4.877 -1.497 1.00 0.00 H new ATOM 0 HB3 ARG A 152 14.123 5.515 -1.615 1.00 0.00 H new ATOM 0 HG2 ARG A 152 13.164 7.127 -3.442 1.00 0.00 H new ATOM 0 HG3 ARG A 152 11.582 6.646 -2.862 1.00 0.00 H new ATOM 0 HD2 ARG A 152 13.619 7.455 -0.788 1.00 0.00 H new ATOM 0 HD3 ARG A 152 12.936 8.731 -1.777 1.00 0.00 H new ATOM 0 HE ARG A 152 10.635 8.022 -0.981 1.00 0.00 H new ATOM 0 HH11 ARG A 152 13.101 8.404 1.180 1.00 0.00 H new ATOM 0 HH12 ARG A 152 12.463 7.335 2.433 1.00 0.00 H new ATOM 0 HH21 ARG A 152 10.005 5.964 0.359 1.00 0.00 H new ATOM 0 HH22 ARG A 152 10.725 5.964 1.972 1.00 0.00 H new ATOM 173 N PRO A 153 15.804 4.930 -3.496 1.00 0.00 N ATOM 174 CA PRO A 153 17.238 4.601 -3.492 1.00 0.00 C ATOM 175 C PRO A 153 17.702 4.299 -2.066 1.00 0.00 C ATOM 176 O PRO A 153 17.069 4.692 -1.107 1.00 0.00 O ATOM 177 CB PRO A 153 17.901 5.872 -4.028 1.00 0.00 C ATOM 178 CG PRO A 153 16.899 7.025 -3.776 1.00 0.00 C ATOM 179 CD PRO A 153 15.513 6.375 -3.612 1.00 0.00 C ATOM 0 HA PRO A 153 17.483 3.721 -4.087 1.00 0.00 H new ATOM 0 HB2 PRO A 153 18.847 6.061 -3.520 1.00 0.00 H new ATOM 0 HB3 PRO A 153 18.124 5.776 -5.091 1.00 0.00 H new ATOM 0 HG2 PRO A 153 17.172 7.587 -2.883 1.00 0.00 H new ATOM 0 HG3 PRO A 153 16.901 7.729 -4.608 1.00 0.00 H new ATOM 0 HD2 PRO A 153 14.999 6.750 -2.727 1.00 0.00 H new ATOM 0 HD3 PRO A 153 14.871 6.585 -4.467 1.00 0.00 H new ATOM 187 N TRP A 154 18.799 3.600 -1.925 1.00 0.00 N ATOM 188 CA TRP A 154 19.318 3.258 -0.566 1.00 0.00 C ATOM 189 C TRP A 154 18.605 2.006 -0.046 1.00 0.00 C ATOM 190 O TRP A 154 19.225 0.997 0.223 1.00 0.00 O ATOM 191 CB TRP A 154 19.076 4.425 0.396 1.00 0.00 C ATOM 192 CG TRP A 154 20.163 4.460 1.421 1.00 0.00 C ATOM 193 CD1 TRP A 154 19.992 4.223 2.742 1.00 0.00 C ATOM 194 CD2 TRP A 154 21.581 4.746 1.236 1.00 0.00 C ATOM 195 NE1 TRP A 154 21.212 4.346 3.380 1.00 0.00 N ATOM 196 CE2 TRP A 154 22.223 4.667 2.495 1.00 0.00 C ATOM 197 CE3 TRP A 154 22.363 5.062 0.109 1.00 0.00 C ATOM 198 CZ2 TRP A 154 23.594 4.894 2.630 1.00 0.00 C ATOM 199 CZ3 TRP A 154 23.743 5.291 0.241 1.00 0.00 C ATOM 200 CH2 TRP A 154 24.356 5.207 1.500 1.00 0.00 C ATOM 0 H TRP A 154 19.362 3.249 -2.700 1.00 0.00 H new ATOM 0 HA TRP A 154 20.389 3.067 -0.630 1.00 0.00 H new ATOM 0 HB2 TRP A 154 19.051 5.365 -0.155 1.00 0.00 H new ATOM 0 HB3 TRP A 154 18.107 4.314 0.882 1.00 0.00 H new ATOM 0 HD1 TRP A 154 19.055 3.978 3.220 1.00 0.00 H new ATOM 0 HE1 TRP A 154 21.349 4.216 4.382 1.00 0.00 H new ATOM 0 HE3 TRP A 154 21.899 5.129 -0.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 24.063 4.828 3.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 24.334 5.533 -0.630 1.00 0.00 H new ATOM 0 HH2 TRP A 154 25.417 5.384 1.597 1.00 0.00 H new ATOM 211 N GLY A 155 17.309 2.060 0.097 1.00 0.00 N ATOM 212 CA GLY A 155 16.565 0.870 0.598 1.00 0.00 C ATOM 213 C GLY A 155 15.317 1.327 1.354 1.00 0.00 C ATOM 214 O GLY A 155 15.104 0.965 2.495 1.00 0.00 O ATOM 0 H GLY A 155 16.734 2.876 -0.111 1.00 0.00 H new ATOM 0 HA2 GLY A 155 16.283 0.227 -0.236 1.00 0.00 H new ATOM 0 HA3 GLY A 155 17.204 0.279 1.254 1.00 0.00 H new ATOM 218 N LYS A 156 14.489 2.122 0.731 1.00 0.00 N ATOM 219 CA LYS A 156 13.259 2.601 1.422 1.00 0.00 C ATOM 220 C LYS A 156 12.051 2.437 0.498 1.00 0.00 C ATOM 221 O LYS A 156 12.175 2.435 -0.710 1.00 0.00 O ATOM 222 CB LYS A 156 13.425 4.078 1.786 1.00 0.00 C ATOM 223 CG LYS A 156 14.710 4.264 2.596 1.00 0.00 C ATOM 224 CD LYS A 156 14.915 5.752 2.895 1.00 0.00 C ATOM 225 CE LYS A 156 15.840 5.907 4.104 1.00 0.00 C ATOM 226 NZ LYS A 156 15.104 6.588 5.207 1.00 0.00 N ATOM 0 H LYS A 156 14.611 2.459 -0.224 1.00 0.00 H new ATOM 0 HA LYS A 156 13.101 2.015 2.328 1.00 0.00 H new ATOM 0 HB2 LYS A 156 13.462 4.684 0.881 1.00 0.00 H new ATOM 0 HB3 LYS A 156 12.566 4.420 2.363 1.00 0.00 H new ATOM 0 HG2 LYS A 156 14.650 3.700 3.527 1.00 0.00 H new ATOM 0 HG3 LYS A 156 15.562 3.873 2.040 1.00 0.00 H new ATOM 0 HD2 LYS A 156 15.346 6.252 2.028 1.00 0.00 H new ATOM 0 HD3 LYS A 156 13.956 6.229 3.094 1.00 0.00 H new ATOM 0 HE2 LYS A 156 16.190 4.929 4.435 1.00 0.00 H new ATOM 0 HE3 LYS A 156 16.722 6.486 3.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 15.732 6.694 6.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 14.791 7.527 4.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 14.276 6.019 5.475 1.00 0.00 H new ATOM 240 N PHE A 157 10.881 2.304 1.061 1.00 0.00 N ATOM 241 CA PHE A 157 9.659 2.146 0.221 1.00 0.00 C ATOM 242 C PHE A 157 8.502 2.904 0.875 1.00 0.00 C ATOM 243 O PHE A 157 8.653 3.499 1.923 1.00 0.00 O ATOM 244 CB PHE A 157 9.297 0.663 0.113 1.00 0.00 C ATOM 245 CG PHE A 157 10.325 -0.052 -0.730 1.00 0.00 C ATOM 246 CD1 PHE A 157 11.538 -0.456 -0.159 1.00 0.00 C ATOM 247 CD2 PHE A 157 10.065 -0.313 -2.082 1.00 0.00 C ATOM 248 CE1 PHE A 157 12.492 -1.122 -0.938 1.00 0.00 C ATOM 249 CE2 PHE A 157 11.021 -0.979 -2.862 1.00 0.00 C ATOM 250 CZ PHE A 157 12.234 -1.384 -2.290 1.00 0.00 C ATOM 0 H PHE A 157 10.718 2.298 2.068 1.00 0.00 H new ATOM 0 HA PHE A 157 9.847 2.544 -0.776 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.253 0.216 1.106 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.308 0.552 -0.331 1.00 0.00 H new ATOM 0 HD1 PHE A 157 11.738 -0.254 0.883 1.00 0.00 H new ATOM 0 HD2 PHE A 157 9.129 -0.002 -2.523 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.427 -1.434 -0.497 1.00 0.00 H new ATOM 0 HE2 PHE A 157 10.822 -1.180 -3.904 1.00 0.00 H new ATOM 0 HZ PHE A 157 12.970 -1.898 -2.891 1.00 0.00 H new ATOM 260 N ALA A 158 7.347 2.892 0.268 1.00 0.00 N ATOM 261 CA ALA A 158 6.190 3.615 0.867 1.00 0.00 C ATOM 262 C ALA A 158 4.888 2.897 0.519 1.00 0.00 C ATOM 263 O ALA A 158 4.481 2.844 -0.625 1.00 0.00 O ATOM 264 CB ALA A 158 6.143 5.044 0.326 1.00 0.00 C ATOM 0 H ALA A 158 7.155 2.415 -0.613 1.00 0.00 H new ATOM 0 HA ALA A 158 6.308 3.638 1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.296 5.572 0.765 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.067 5.562 0.585 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.032 5.019 -0.758 1.00 0.00 H new ATOM 270 N ALA A 159 4.225 2.354 1.501 1.00 0.00 N ATOM 271 CA ALA A 159 2.943 1.648 1.235 1.00 0.00 C ATOM 272 C ALA A 159 1.796 2.658 1.301 1.00 0.00 C ATOM 273 O ALA A 159 1.595 3.315 2.303 1.00 0.00 O ATOM 274 CB ALA A 159 2.732 0.562 2.292 1.00 0.00 C ATOM 0 H ALA A 159 4.517 2.369 2.478 1.00 0.00 H new ATOM 0 HA ALA A 159 2.971 1.188 0.247 1.00 0.00 H new ATOM 0 HB1 ALA A 159 1.793 0.044 2.099 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.555 -0.151 2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.697 1.019 3.281 1.00 0.00 H new ATOM 280 N GLU A 160 1.045 2.794 0.243 1.00 0.00 N ATOM 281 CA GLU A 160 -0.085 3.769 0.254 1.00 0.00 C ATOM 282 C GLU A 160 -1.234 3.221 -0.593 1.00 0.00 C ATOM 283 O GLU A 160 -1.026 2.476 -1.530 1.00 0.00 O ATOM 284 CB GLU A 160 0.365 5.122 -0.322 1.00 0.00 C ATOM 285 CG GLU A 160 1.872 5.116 -0.598 1.00 0.00 C ATOM 286 CD GLU A 160 2.222 6.271 -1.539 1.00 0.00 C ATOM 287 OE1 GLU A 160 1.878 6.183 -2.706 1.00 0.00 O ATOM 288 OE2 GLU A 160 2.828 7.224 -1.076 1.00 0.00 O ATOM 0 H GLU A 160 1.163 2.275 -0.627 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.413 3.914 1.283 1.00 0.00 H new ATOM 0 HB2 GLU A 160 -0.178 5.330 -1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 160 0.121 5.921 0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 160 2.424 5.214 0.337 1.00 0.00 H new ATOM 0 HG3 GLU A 160 2.167 4.167 -1.045 1.00 0.00 H new ATOM 295 N ILE A 161 -2.445 3.585 -0.274 1.00 0.00 N ATOM 296 CA ILE A 161 -3.603 3.084 -1.066 1.00 0.00 C ATOM 297 C ILE A 161 -4.490 4.264 -1.469 1.00 0.00 C ATOM 298 O ILE A 161 -4.944 5.025 -0.639 1.00 0.00 O ATOM 299 CB ILE A 161 -4.414 2.098 -0.222 1.00 0.00 C ATOM 300 CG1 ILE A 161 -5.520 1.482 -1.084 1.00 0.00 C ATOM 301 CG2 ILE A 161 -5.042 2.833 0.962 1.00 0.00 C ATOM 302 CD1 ILE A 161 -6.390 0.567 -0.221 1.00 0.00 C ATOM 0 H ILE A 161 -2.683 4.206 0.499 1.00 0.00 H new ATOM 0 HA ILE A 161 -3.240 2.578 -1.961 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.757 1.311 0.148 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -6.130 2.269 -1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -5.082 0.916 -1.906 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -5.619 2.130 1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -4.256 3.273 1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -5.699 3.621 0.594 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -7.177 0.129 -0.834 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.775 -0.227 0.202 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.839 1.147 0.586 1.00 0.00 H new ATOM 314 N ARG A 162 -4.737 4.422 -2.741 1.00 0.00 N ATOM 315 CA ARG A 162 -5.593 5.552 -3.198 1.00 0.00 C ATOM 316 C ARG A 162 -7.027 5.329 -2.720 1.00 0.00 C ATOM 317 O ARG A 162 -7.631 4.308 -2.990 1.00 0.00 O ATOM 318 CB ARG A 162 -5.568 5.625 -4.726 1.00 0.00 C ATOM 319 CG ARG A 162 -6.523 6.723 -5.202 1.00 0.00 C ATOM 320 CD ARG A 162 -5.757 7.725 -6.067 1.00 0.00 C ATOM 321 NE ARG A 162 -6.155 7.554 -7.492 1.00 0.00 N ATOM 322 CZ ARG A 162 -5.267 7.700 -8.440 1.00 0.00 C ATOM 323 NH1 ARG A 162 -4.373 8.648 -8.357 1.00 0.00 N ATOM 324 NH2 ARG A 162 -5.274 6.897 -9.468 1.00 0.00 N ATOM 0 H ARG A 162 -4.383 3.818 -3.482 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.214 6.487 -2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -4.556 5.833 -5.074 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -5.860 4.665 -5.151 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -7.342 6.285 -5.773 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -6.967 7.230 -4.345 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -5.969 8.742 -5.738 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -4.684 7.571 -5.957 1.00 0.00 H new ATOM 0 HE ARG A 162 -7.120 7.323 -7.728 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -4.367 9.275 -7.552 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -3.680 8.762 -9.097 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -5.972 6.156 -9.532 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -4.581 7.010 -10.208 1.00 0.00 H new ATOM 338 N ASP A 163 -7.578 6.273 -2.009 1.00 0.00 N ATOM 339 CA ASP A 163 -8.972 6.115 -1.510 1.00 0.00 C ATOM 340 C ASP A 163 -9.851 7.232 -2.085 1.00 0.00 C ATOM 341 O ASP A 163 -9.880 8.327 -1.558 1.00 0.00 O ATOM 342 CB ASP A 163 -8.976 6.202 0.018 1.00 0.00 C ATOM 343 CG ASP A 163 -10.311 5.685 0.556 1.00 0.00 C ATOM 344 OD1 ASP A 163 -11.263 5.659 -0.206 1.00 0.00 O ATOM 345 OD2 ASP A 163 -10.358 5.324 1.721 1.00 0.00 O ATOM 0 H ASP A 163 -7.122 7.148 -1.752 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.363 5.147 -1.823 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -8.155 5.614 0.428 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.819 7.233 0.334 1.00 0.00 H new ATOM 350 N PRO A 164 -10.544 6.922 -3.151 1.00 0.00 N ATOM 351 CA PRO A 164 -11.437 7.881 -3.824 1.00 0.00 C ATOM 352 C PRO A 164 -12.748 8.019 -3.046 1.00 0.00 C ATOM 353 O PRO A 164 -13.447 9.007 -3.155 1.00 0.00 O ATOM 354 CB PRO A 164 -11.678 7.249 -5.196 1.00 0.00 C ATOM 355 CG PRO A 164 -11.389 5.736 -5.037 1.00 0.00 C ATOM 356 CD PRO A 164 -10.504 5.587 -3.786 1.00 0.00 C ATOM 0 HA PRO A 164 -11.017 8.884 -3.894 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -12.703 7.416 -5.526 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -11.025 7.692 -5.948 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -12.316 5.174 -4.925 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -10.883 5.343 -5.919 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -10.887 4.816 -3.117 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -9.486 5.302 -4.050 1.00 0.00 H new ATOM 364 N ALA A 165 -13.084 7.033 -2.260 1.00 0.00 N ATOM 365 CA ALA A 165 -14.343 7.097 -1.474 1.00 0.00 C ATOM 366 C ALA A 165 -14.207 8.146 -0.365 1.00 0.00 C ATOM 367 O ALA A 165 -15.142 8.415 0.364 1.00 0.00 O ATOM 368 CB ALA A 165 -14.618 5.727 -0.849 1.00 0.00 C ATOM 0 H ALA A 165 -12.536 6.183 -2.130 1.00 0.00 H new ATOM 0 HA ALA A 165 -15.168 7.373 -2.131 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -15.541 5.769 -0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -14.717 4.981 -1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -13.792 5.454 -0.193 1.00 0.00 H new ATOM 374 N LYS A 166 -13.051 8.737 -0.227 1.00 0.00 N ATOM 375 CA LYS A 166 -12.863 9.761 0.838 1.00 0.00 C ATOM 376 C LYS A 166 -12.418 11.084 0.210 1.00 0.00 C ATOM 377 O LYS A 166 -11.749 11.884 0.834 1.00 0.00 O ATOM 378 CB LYS A 166 -11.796 9.278 1.821 1.00 0.00 C ATOM 379 CG LYS A 166 -12.208 7.920 2.392 1.00 0.00 C ATOM 380 CD LYS A 166 -13.216 8.127 3.525 1.00 0.00 C ATOM 381 CE LYS A 166 -12.470 8.448 4.821 1.00 0.00 C ATOM 382 NZ LYS A 166 -12.887 7.492 5.884 1.00 0.00 N ATOM 0 H LYS A 166 -12.231 8.555 -0.805 1.00 0.00 H new ATOM 0 HA LYS A 166 -13.805 9.913 1.365 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -10.833 9.196 1.318 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -11.674 10.002 2.627 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -12.647 7.302 1.609 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -11.332 7.389 2.763 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -13.898 8.940 3.275 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -13.822 7.231 3.655 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -11.394 8.382 4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -12.684 9.470 5.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -12.380 7.710 6.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -13.911 7.576 6.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -12.662 6.521 5.586 1.00 0.00 H new ATOM 396 N ASN A 167 -12.784 11.325 -1.019 1.00 0.00 N ATOM 397 CA ASN A 167 -12.383 12.599 -1.679 1.00 0.00 C ATOM 398 C ASN A 167 -10.904 12.534 -2.066 1.00 0.00 C ATOM 399 O ASN A 167 -10.106 13.351 -1.648 1.00 0.00 O ATOM 400 CB ASN A 167 -12.604 13.766 -0.714 1.00 0.00 C ATOM 401 CG ASN A 167 -12.872 15.044 -1.512 1.00 0.00 C ATOM 402 OD1 ASN A 167 -12.112 15.333 -2.532 1.00 0.00 O flip ATOM 403 ND2 ASN A 167 -13.783 15.787 -1.203 1.00 0.00 N flip ATOM 0 H ASN A 167 -13.343 10.695 -1.594 1.00 0.00 H new ATOM 0 HA ASN A 167 -12.986 12.746 -2.575 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -13.446 13.553 -0.055 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -11.728 13.898 -0.079 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -14.377 15.561 -0.405 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -13.953 16.636 -1.741 1.00 0.00 H new ATOM 410 N GLY A 168 -10.531 11.571 -2.864 1.00 0.00 N ATOM 411 CA GLY A 168 -9.105 11.457 -3.281 1.00 0.00 C ATOM 412 C GLY A 168 -8.196 11.649 -2.065 1.00 0.00 C ATOM 413 O GLY A 168 -7.159 12.277 -2.147 1.00 0.00 O ATOM 0 H GLY A 168 -11.153 10.858 -3.245 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -8.925 10.481 -3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -8.877 12.206 -4.040 1.00 0.00 H new ATOM 417 N ALA A 169 -8.572 11.110 -0.936 1.00 0.00 N ATOM 418 CA ALA A 169 -7.723 11.262 0.279 1.00 0.00 C ATOM 419 C ALA A 169 -6.638 10.182 0.276 1.00 0.00 C ATOM 420 O ALA A 169 -6.845 9.079 0.739 1.00 0.00 O ATOM 421 CB ALA A 169 -8.589 11.111 1.532 1.00 0.00 C ATOM 0 H ALA A 169 -9.429 10.572 -0.804 1.00 0.00 H new ATOM 0 HA ALA A 169 -7.258 12.248 0.278 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -7.967 11.222 2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -9.364 11.878 1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -9.054 10.125 1.536 1.00 0.00 H new ATOM 427 N ARG A 170 -5.484 10.491 -0.248 1.00 0.00 N ATOM 428 CA ARG A 170 -4.390 9.481 -0.287 1.00 0.00 C ATOM 429 C ARG A 170 -4.209 8.862 1.101 1.00 0.00 C ATOM 430 O ARG A 170 -4.320 9.529 2.110 1.00 0.00 O ATOM 431 CB ARG A 170 -3.087 10.157 -0.715 1.00 0.00 C ATOM 432 CG ARG A 170 -3.201 10.609 -2.172 1.00 0.00 C ATOM 433 CD ARG A 170 -2.394 11.893 -2.374 1.00 0.00 C ATOM 434 NE ARG A 170 -3.051 12.734 -3.413 1.00 0.00 N ATOM 435 CZ ARG A 170 -3.294 13.994 -3.175 1.00 0.00 C ATOM 436 NH1 ARG A 170 -2.386 14.894 -3.436 1.00 0.00 N ATOM 437 NH2 ARG A 170 -4.444 14.353 -2.676 1.00 0.00 N ATOM 0 H ARG A 170 -5.252 11.399 -0.651 1.00 0.00 H new ATOM 0 HA ARG A 170 -4.648 8.699 -1.001 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -2.881 11.013 -0.073 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -2.252 9.466 -0.602 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -2.832 9.827 -2.836 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -4.246 10.780 -2.430 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -2.325 12.443 -1.436 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -1.375 11.651 -2.677 1.00 0.00 H new ATOM 0 HE ARG A 170 -3.311 12.325 -4.311 1.00 0.00 H new ATOM 0 HH11 ARG A 170 -1.486 14.613 -3.826 1.00 0.00 H new ATOM 0 HH12 ARG A 170 -2.576 15.879 -3.250 1.00 0.00 H new ATOM 0 HH21 ARG A 170 -5.153 13.649 -2.472 1.00 0.00 H new ATOM 0 HH22 ARG A 170 -4.634 15.338 -2.490 1.00 0.00 H new ATOM 451 N VAL A 171 -3.929 7.588 1.157 1.00 0.00 N ATOM 452 CA VAL A 171 -3.739 6.923 2.476 1.00 0.00 C ATOM 453 C VAL A 171 -2.298 6.418 2.582 1.00 0.00 C ATOM 454 O VAL A 171 -2.001 5.282 2.268 1.00 0.00 O ATOM 455 CB VAL A 171 -4.712 5.747 2.596 1.00 0.00 C ATOM 456 CG1 VAL A 171 -4.289 4.839 3.753 1.00 0.00 C ATOM 457 CG2 VAL A 171 -6.119 6.285 2.862 1.00 0.00 C ATOM 0 H VAL A 171 -3.824 6.979 0.345 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.933 7.633 3.280 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.703 5.174 1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.985 4.004 3.833 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -3.285 4.458 3.568 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -4.295 5.408 4.683 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.817 5.452 2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -6.120 6.857 3.790 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -6.424 6.930 2.038 1.00 0.00 H new ATOM 467 N TRP A 172 -1.401 7.256 3.019 1.00 0.00 N ATOM 468 CA TRP A 172 0.023 6.831 3.143 1.00 0.00 C ATOM 469 C TRP A 172 0.183 5.935 4.373 1.00 0.00 C ATOM 470 O TRP A 172 0.340 6.409 5.481 1.00 0.00 O ATOM 471 CB TRP A 172 0.912 8.067 3.291 1.00 0.00 C ATOM 472 CG TRP A 172 2.347 7.650 3.322 1.00 0.00 C ATOM 473 CD1 TRP A 172 2.918 6.901 4.293 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.402 7.945 2.360 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.255 6.719 3.988 1.00 0.00 N ATOM 476 CE2 TRP A 172 4.600 7.342 2.809 1.00 0.00 C ATOM 477 CE3 TRP A 172 3.435 8.669 1.154 1.00 0.00 C ATOM 478 CZ2 TRP A 172 5.789 7.451 2.091 1.00 0.00 C ATOM 479 CZ3 TRP A 172 4.632 8.784 0.424 1.00 0.00 C ATOM 480 CH2 TRP A 172 5.807 8.175 0.894 1.00 0.00 C ATOM 0 H TRP A 172 -1.592 8.219 3.296 1.00 0.00 H new ATOM 0 HA TRP A 172 0.317 6.277 2.251 1.00 0.00 H new ATOM 0 HB2 TRP A 172 0.740 8.753 2.462 1.00 0.00 H new ATOM 0 HB3 TRP A 172 0.658 8.603 4.206 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.413 6.509 5.164 1.00 0.00 H new ATOM 0 HE1 TRP A 172 4.906 6.188 4.566 1.00 0.00 H new ATOM 0 HE3 TRP A 172 2.535 9.140 0.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 6.690 6.980 2.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 4.647 9.342 -0.500 1.00 0.00 H new ATOM 0 HH2 TRP A 172 6.724 8.266 0.331 1.00 0.00 H new ATOM 491 N LEU A 173 0.146 4.643 4.186 1.00 0.00 N ATOM 492 CA LEU A 173 0.299 3.719 5.346 1.00 0.00 C ATOM 493 C LEU A 173 1.590 4.052 6.094 1.00 0.00 C ATOM 494 O LEU A 173 1.624 4.089 7.308 1.00 0.00 O ATOM 495 CB LEU A 173 0.365 2.273 4.846 1.00 0.00 C ATOM 496 CG LEU A 173 -1.033 1.799 4.448 1.00 0.00 C ATOM 497 CD1 LEU A 173 -1.247 2.036 2.951 1.00 0.00 C ATOM 498 CD2 LEU A 173 -1.165 0.305 4.751 1.00 0.00 C ATOM 0 H LEU A 173 0.017 4.188 3.282 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.554 3.835 6.015 1.00 0.00 H new ATOM 0 HB2 LEU A 173 1.039 2.204 3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 173 0.770 1.627 5.625 1.00 0.00 H new ATOM 0 HG LEU A 173 -1.781 2.355 5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -2.244 1.698 2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -1.149 3.100 2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -0.501 1.480 2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -2.161 -0.037 4.469 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -0.417 -0.249 4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -1.012 0.135 5.817 1.00 0.00 H new ATOM 510 N GLY A 174 2.654 4.299 5.378 1.00 0.00 N ATOM 511 CA GLY A 174 3.942 4.631 6.050 1.00 0.00 C ATOM 512 C GLY A 174 5.103 4.020 5.264 1.00 0.00 C ATOM 513 O GLY A 174 4.953 3.020 4.592 1.00 0.00 O ATOM 0 H GLY A 174 2.686 4.285 4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 174 4.062 5.712 6.114 1.00 0.00 H new ATOM 0 HA3 GLY A 174 3.940 4.249 7.071 1.00 0.00 H new ATOM 517 N THR A 175 6.259 4.619 5.344 1.00 0.00 N ATOM 518 CA THR A 175 7.430 4.078 4.601 1.00 0.00 C ATOM 519 C THR A 175 7.848 2.739 5.214 1.00 0.00 C ATOM 520 O THR A 175 7.452 2.399 6.311 1.00 0.00 O ATOM 521 CB THR A 175 8.594 5.070 4.689 1.00 0.00 C ATOM 522 OG1 THR A 175 9.335 4.823 5.876 1.00 0.00 O ATOM 523 CG2 THR A 175 8.054 6.501 4.712 1.00 0.00 C ATOM 0 H THR A 175 6.443 5.460 5.892 1.00 0.00 H new ATOM 0 HA THR A 175 7.161 3.929 3.555 1.00 0.00 H new ATOM 0 HB THR A 175 9.241 4.945 3.821 1.00 0.00 H new ATOM 0 HG1 THR A 175 10.081 5.456 5.933 1.00 0.00 H new ATOM 0 HG21 THR A 175 8.886 7.203 4.775 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.487 6.691 3.801 1.00 0.00 H new ATOM 0 HG23 THR A 175 7.404 6.631 5.577 1.00 0.00 H new ATOM 531 N PHE A 176 8.644 1.976 4.515 1.00 0.00 N ATOM 532 CA PHE A 176 9.084 0.661 5.061 1.00 0.00 C ATOM 533 C PHE A 176 10.569 0.458 4.755 1.00 0.00 C ATOM 534 O PHE A 176 11.250 1.367 4.321 1.00 0.00 O ATOM 535 CB PHE A 176 8.267 -0.459 4.418 1.00 0.00 C ATOM 536 CG PHE A 176 6.877 -0.456 5.007 1.00 0.00 C ATOM 537 CD1 PHE A 176 5.889 0.385 4.476 1.00 0.00 C ATOM 538 CD2 PHE A 176 6.577 -1.288 6.092 1.00 0.00 C ATOM 539 CE1 PHE A 176 4.603 0.391 5.030 1.00 0.00 C ATOM 540 CE2 PHE A 176 5.291 -1.282 6.645 1.00 0.00 C ATOM 541 CZ PHE A 176 4.304 -0.442 6.115 1.00 0.00 C ATOM 0 H PHE A 176 9.008 2.206 3.590 1.00 0.00 H new ATOM 0 HA PHE A 176 8.930 0.643 6.140 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.218 -0.317 3.338 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.747 -1.422 4.592 1.00 0.00 H new ATOM 0 HD1 PHE A 176 6.120 1.028 3.640 1.00 0.00 H new ATOM 0 HD2 PHE A 176 7.338 -1.935 6.503 1.00 0.00 H new ATOM 0 HE1 PHE A 176 3.842 1.038 4.620 1.00 0.00 H new ATOM 0 HE2 PHE A 176 5.060 -1.926 7.481 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.312 -0.437 6.543 1.00 0.00 H new ATOM 551 N GLU A 177 11.081 -0.721 4.978 1.00 0.00 N ATOM 552 CA GLU A 177 12.525 -0.964 4.698 1.00 0.00 C ATOM 553 C GLU A 177 12.690 -1.607 3.319 1.00 0.00 C ATOM 554 O GLU A 177 13.684 -1.401 2.651 1.00 0.00 O ATOM 555 CB GLU A 177 13.122 -1.885 5.768 1.00 0.00 C ATOM 556 CG GLU A 177 12.091 -2.936 6.181 1.00 0.00 C ATOM 557 CD GLU A 177 11.349 -2.463 7.431 1.00 0.00 C ATOM 558 OE1 GLU A 177 11.918 -1.680 8.174 1.00 0.00 O ATOM 559 OE2 GLU A 177 10.224 -2.893 7.626 1.00 0.00 O ATOM 0 H GLU A 177 10.565 -1.523 5.340 1.00 0.00 H new ATOM 0 HA GLU A 177 13.050 -0.009 4.715 1.00 0.00 H new ATOM 0 HB2 GLU A 177 14.017 -2.373 5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 177 13.426 -1.300 6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 177 11.384 -3.106 5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 177 12.585 -3.887 6.377 1.00 0.00 H new ATOM 566 N THR A 178 11.735 -2.383 2.878 1.00 0.00 N ATOM 567 CA THR A 178 11.877 -3.020 1.534 1.00 0.00 C ATOM 568 C THR A 178 10.558 -2.928 0.762 1.00 0.00 C ATOM 569 O THR A 178 9.581 -2.383 1.237 1.00 0.00 O ATOM 570 CB THR A 178 12.280 -4.491 1.696 1.00 0.00 C ATOM 571 OG1 THR A 178 11.115 -5.294 1.835 1.00 0.00 O ATOM 572 CG2 THR A 178 13.164 -4.648 2.936 1.00 0.00 C ATOM 0 H THR A 178 10.875 -2.602 3.381 1.00 0.00 H new ATOM 0 HA THR A 178 12.651 -2.493 0.975 1.00 0.00 H new ATOM 0 HB THR A 178 12.835 -4.812 0.814 1.00 0.00 H new ATOM 0 HG1 THR A 178 10.321 -4.719 1.849 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.449 -5.694 3.049 1.00 0.00 H new ATOM 0 HG22 THR A 178 14.060 -4.038 2.824 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.613 -4.324 3.819 1.00 0.00 H new ATOM 580 N ALA A 179 10.528 -3.453 -0.435 1.00 0.00 N ATOM 581 CA ALA A 179 9.280 -3.397 -1.244 1.00 0.00 C ATOM 582 C ALA A 179 8.294 -4.439 -0.719 1.00 0.00 C ATOM 583 O ALA A 179 7.096 -4.246 -0.754 1.00 0.00 O ATOM 584 CB ALA A 179 9.605 -3.690 -2.711 1.00 0.00 C ATOM 0 H ALA A 179 11.316 -3.918 -0.886 1.00 0.00 H new ATOM 0 HA ALA A 179 8.838 -2.404 -1.167 1.00 0.00 H new ATOM 0 HB1 ALA A 179 8.690 -3.649 -3.302 1.00 0.00 H new ATOM 0 HB2 ALA A 179 10.311 -2.947 -3.083 1.00 0.00 H new ATOM 0 HB3 ALA A 179 10.046 -4.683 -2.795 1.00 0.00 H new ATOM 590 N GLU A 180 8.789 -5.540 -0.224 1.00 0.00 N ATOM 591 CA GLU A 180 7.879 -6.591 0.314 1.00 0.00 C ATOM 592 C GLU A 180 7.173 -6.048 1.553 1.00 0.00 C ATOM 593 O GLU A 180 5.990 -5.794 1.539 1.00 0.00 O ATOM 594 CB GLU A 180 8.690 -7.831 0.694 1.00 0.00 C ATOM 595 CG GLU A 180 7.735 -8.970 1.060 1.00 0.00 C ATOM 596 CD GLU A 180 8.369 -9.838 2.148 1.00 0.00 C ATOM 597 OE1 GLU A 180 9.306 -9.376 2.776 1.00 0.00 O ATOM 598 OE2 GLU A 180 7.905 -10.952 2.334 1.00 0.00 O ATOM 0 H GLU A 180 9.784 -5.757 -0.169 1.00 0.00 H new ATOM 0 HA GLU A 180 7.144 -6.862 -0.444 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.329 -8.130 -0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 180 9.346 -7.607 1.535 1.00 0.00 H new ATOM 0 HG2 GLU A 180 6.786 -8.564 1.411 1.00 0.00 H new ATOM 0 HG3 GLU A 180 7.518 -9.574 0.179 1.00 0.00 H new ATOM 605 N ASP A 181 7.898 -5.872 2.620 1.00 0.00 N ATOM 606 CA ASP A 181 7.288 -5.341 3.881 1.00 0.00 C ATOM 607 C ASP A 181 6.260 -4.252 3.553 1.00 0.00 C ATOM 608 O ASP A 181 5.098 -4.363 3.888 1.00 0.00 O ATOM 609 CB ASP A 181 8.380 -4.742 4.788 1.00 0.00 C ATOM 610 CG ASP A 181 9.656 -4.497 3.988 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.543 -3.984 2.890 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.718 -4.833 4.481 1.00 0.00 O ATOM 0 H ASP A 181 8.896 -6.073 2.679 1.00 0.00 H new ATOM 0 HA ASP A 181 6.795 -6.165 4.398 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.029 -3.806 5.222 1.00 0.00 H new ATOM 0 HB3 ASP A 181 8.586 -5.420 5.617 1.00 0.00 H new ATOM 617 N ALA A 182 6.682 -3.195 2.914 1.00 0.00 N ATOM 618 CA ALA A 182 5.730 -2.095 2.578 1.00 0.00 C ATOM 619 C ALA A 182 4.547 -2.645 1.780 1.00 0.00 C ATOM 620 O ALA A 182 3.420 -2.227 1.953 1.00 0.00 O ATOM 621 CB ALA A 182 6.454 -1.037 1.745 1.00 0.00 C ATOM 0 H ALA A 182 7.644 -3.044 2.610 1.00 0.00 H new ATOM 0 HA ALA A 182 5.359 -1.651 3.502 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.762 -0.232 1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 182 7.290 -0.634 2.316 1.00 0.00 H new ATOM 0 HB3 ALA A 182 6.827 -1.490 0.826 1.00 0.00 H new ATOM 627 N ALA A 183 4.796 -3.569 0.899 1.00 0.00 N ATOM 628 CA ALA A 183 3.687 -4.135 0.079 1.00 0.00 C ATOM 629 C ALA A 183 2.685 -4.868 0.980 1.00 0.00 C ATOM 630 O ALA A 183 1.495 -4.864 0.729 1.00 0.00 O ATOM 631 CB ALA A 183 4.262 -5.113 -0.950 1.00 0.00 C ATOM 0 H ALA A 183 5.719 -3.959 0.709 1.00 0.00 H new ATOM 0 HA ALA A 183 3.173 -3.322 -0.434 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.452 -5.528 -1.550 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.963 -4.588 -1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.781 -5.921 -0.434 1.00 0.00 H new ATOM 637 N LEU A 184 3.148 -5.499 2.025 1.00 0.00 N ATOM 638 CA LEU A 184 2.214 -6.228 2.925 1.00 0.00 C ATOM 639 C LEU A 184 1.336 -5.222 3.670 1.00 0.00 C ATOM 640 O LEU A 184 0.161 -5.443 3.880 1.00 0.00 O ATOM 641 CB LEU A 184 3.014 -7.058 3.930 1.00 0.00 C ATOM 642 CG LEU A 184 2.114 -8.141 4.525 1.00 0.00 C ATOM 643 CD1 LEU A 184 2.650 -9.521 4.140 1.00 0.00 C ATOM 644 CD2 LEU A 184 2.098 -8.006 6.050 1.00 0.00 C ATOM 0 H LEU A 184 4.131 -5.540 2.293 1.00 0.00 H new ATOM 0 HA LEU A 184 1.582 -6.891 2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 184 3.874 -7.514 3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.402 -6.416 4.721 1.00 0.00 H new ATOM 0 HG LEU A 184 1.102 -8.026 4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 184 2.008 -10.292 4.565 1.00 0.00 H new ATOM 0 HD12 LEU A 184 2.663 -9.617 3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 184 3.662 -9.639 4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 184 1.457 -8.777 6.477 1.00 0.00 H new ATOM 0 HD22 LEU A 184 3.111 -8.121 6.436 1.00 0.00 H new ATOM 0 HD23 LEU A 184 1.715 -7.023 6.324 1.00 0.00 H new ATOM 656 N ALA A 185 1.899 -4.115 4.065 1.00 0.00 N ATOM 657 CA ALA A 185 1.097 -3.090 4.789 1.00 0.00 C ATOM 658 C ALA A 185 -0.004 -2.576 3.861 1.00 0.00 C ATOM 659 O ALA A 185 -1.084 -2.226 4.293 1.00 0.00 O ATOM 660 CB ALA A 185 2.006 -1.929 5.204 1.00 0.00 C ATOM 0 H ALA A 185 2.880 -3.875 3.918 1.00 0.00 H new ATOM 0 HA ALA A 185 0.650 -3.530 5.681 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.419 -1.179 5.734 1.00 0.00 H new ATOM 0 HB2 ALA A 185 2.795 -2.300 5.858 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.452 -1.480 4.316 1.00 0.00 H new ATOM 666 N TYR A 186 0.265 -2.531 2.586 1.00 0.00 N ATOM 667 CA TYR A 186 -0.759 -2.046 1.620 1.00 0.00 C ATOM 668 C TYR A 186 -1.924 -3.036 1.570 1.00 0.00 C ATOM 669 O TYR A 186 -3.063 -2.661 1.380 1.00 0.00 O ATOM 670 CB TYR A 186 -0.134 -1.943 0.227 1.00 0.00 C ATOM 671 CG TYR A 186 -1.210 -1.616 -0.777 1.00 0.00 C ATOM 672 CD1 TYR A 186 -2.101 -2.613 -1.193 1.00 0.00 C ATOM 673 CD2 TYR A 186 -1.321 -0.317 -1.290 1.00 0.00 C ATOM 674 CE1 TYR A 186 -3.103 -2.313 -2.123 1.00 0.00 C ATOM 675 CE2 TYR A 186 -2.323 -0.016 -2.220 1.00 0.00 C ATOM 676 CZ TYR A 186 -3.215 -1.015 -2.637 1.00 0.00 C ATOM 677 OH TYR A 186 -4.203 -0.719 -3.555 1.00 0.00 O ATOM 0 H TYR A 186 1.154 -2.810 2.170 1.00 0.00 H new ATOM 0 HA TYR A 186 -1.120 -1.068 1.938 1.00 0.00 H new ATOM 0 HB2 TYR A 186 0.636 -1.171 0.217 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.353 -2.882 -0.037 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -2.015 -3.614 -0.796 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.634 0.452 -0.968 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -3.790 -3.082 -2.444 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -2.409 0.985 -2.616 1.00 0.00 H new ATOM 0 HH TYR A 186 -4.142 0.226 -3.809 1.00 0.00 H new ATOM 687 N ASP A 187 -1.642 -4.299 1.727 1.00 0.00 N ATOM 688 CA ASP A 187 -2.719 -5.324 1.680 1.00 0.00 C ATOM 689 C ASP A 187 -3.691 -5.116 2.841 1.00 0.00 C ATOM 690 O ASP A 187 -4.893 -5.178 2.679 1.00 0.00 O ATOM 691 CB ASP A 187 -2.086 -6.710 1.796 1.00 0.00 C ATOM 692 CG ASP A 187 -1.448 -7.106 0.464 1.00 0.00 C ATOM 693 OD1 ASP A 187 -1.320 -6.245 -0.392 1.00 0.00 O ATOM 694 OD2 ASP A 187 -1.097 -8.265 0.323 1.00 0.00 O ATOM 0 H ASP A 187 -0.704 -4.667 1.887 1.00 0.00 H new ATOM 0 HA ASP A 187 -3.264 -5.235 0.740 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.333 -6.710 2.584 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -2.843 -7.442 2.078 1.00 0.00 H new ATOM 699 N ARG A 188 -3.175 -4.889 4.014 1.00 0.00 N ATOM 700 CA ARG A 188 -4.060 -4.696 5.198 1.00 0.00 C ATOM 701 C ARG A 188 -4.939 -3.457 5.011 1.00 0.00 C ATOM 702 O ARG A 188 -6.061 -3.407 5.476 1.00 0.00 O ATOM 703 CB ARG A 188 -3.200 -4.522 6.451 1.00 0.00 C ATOM 704 CG ARG A 188 -4.107 -4.335 7.666 1.00 0.00 C ATOM 705 CD ARG A 188 -4.605 -5.701 8.142 1.00 0.00 C ATOM 706 NE ARG A 188 -5.421 -5.530 9.376 1.00 0.00 N ATOM 707 CZ ARG A 188 -5.258 -6.344 10.383 1.00 0.00 C ATOM 708 NH1 ARG A 188 -4.056 -6.647 10.789 1.00 0.00 N ATOM 709 NH2 ARG A 188 -6.298 -6.858 10.981 1.00 0.00 N ATOM 0 H ARG A 188 -2.175 -4.828 4.207 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.701 -5.571 5.305 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -2.561 -5.394 6.591 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -2.543 -3.660 6.338 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -3.562 -3.835 8.467 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -4.952 -3.697 7.408 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -5.201 -6.175 7.362 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -3.759 -6.359 8.341 1.00 0.00 H new ATOM 0 HE ARG A 188 -6.107 -4.777 9.434 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -3.243 -6.248 10.319 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -3.929 -7.283 11.576 1.00 0.00 H new ATOM 0 HH21 ARG A 188 -7.238 -6.623 10.661 1.00 0.00 H new ATOM 0 HH22 ARG A 188 -6.171 -7.494 11.768 1.00 0.00 H new ATOM 723 N ALA A 189 -4.442 -2.455 4.344 1.00 0.00 N ATOM 724 CA ALA A 189 -5.255 -1.221 4.142 1.00 0.00 C ATOM 725 C ALA A 189 -6.188 -1.404 2.944 1.00 0.00 C ATOM 726 O ALA A 189 -7.218 -0.767 2.845 1.00 0.00 O ATOM 727 CB ALA A 189 -4.325 -0.035 3.887 1.00 0.00 C ATOM 0 H ALA A 189 -3.510 -2.435 3.930 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.851 -1.033 5.035 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.918 0.867 3.739 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -3.665 0.101 4.744 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.727 -0.226 2.996 1.00 0.00 H new ATOM 733 N ALA A 190 -5.838 -2.269 2.034 1.00 0.00 N ATOM 734 CA ALA A 190 -6.709 -2.487 0.844 1.00 0.00 C ATOM 735 C ALA A 190 -7.799 -3.499 1.193 1.00 0.00 C ATOM 736 O ALA A 190 -8.758 -3.666 0.468 1.00 0.00 O ATOM 737 CB ALA A 190 -5.865 -3.024 -0.314 1.00 0.00 C ATOM 0 H ALA A 190 -4.989 -2.834 2.062 1.00 0.00 H new ATOM 0 HA ALA A 190 -7.169 -1.543 0.550 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -6.501 -3.184 -1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -5.086 -2.303 -0.561 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -5.406 -3.968 -0.022 1.00 0.00 H new ATOM 743 N PHE A 191 -7.663 -4.175 2.300 1.00 0.00 N ATOM 744 CA PHE A 191 -8.699 -5.170 2.693 1.00 0.00 C ATOM 745 C PHE A 191 -9.626 -4.540 3.728 1.00 0.00 C ATOM 746 O PHE A 191 -10.827 -4.715 3.693 1.00 0.00 O ATOM 747 CB PHE A 191 -8.022 -6.405 3.290 1.00 0.00 C ATOM 748 CG PHE A 191 -8.829 -7.638 2.959 1.00 0.00 C ATOM 749 CD1 PHE A 191 -8.679 -8.259 1.712 1.00 0.00 C ATOM 750 CD2 PHE A 191 -9.724 -8.162 3.900 1.00 0.00 C ATOM 751 CE1 PHE A 191 -9.425 -9.405 1.406 1.00 0.00 C ATOM 752 CE2 PHE A 191 -10.470 -9.308 3.595 1.00 0.00 C ATOM 753 CZ PHE A 191 -10.320 -9.930 2.347 1.00 0.00 C ATOM 0 H PHE A 191 -6.881 -4.082 2.948 1.00 0.00 H new ATOM 0 HA PHE A 191 -9.276 -5.468 1.818 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -7.011 -6.504 2.895 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -7.933 -6.296 4.371 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -7.989 -7.854 0.987 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -9.839 -7.683 4.861 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -9.310 -9.883 0.445 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -11.160 -9.712 4.321 1.00 0.00 H new ATOM 0 HZ PHE A 191 -10.894 -10.814 2.111 1.00 0.00 H new ATOM 763 N ARG A 192 -9.083 -3.794 4.644 1.00 0.00 N ATOM 764 CA ARG A 192 -9.943 -3.139 5.664 1.00 0.00 C ATOM 765 C ARG A 192 -10.873 -2.164 4.947 1.00 0.00 C ATOM 766 O ARG A 192 -12.039 -2.041 5.266 1.00 0.00 O ATOM 767 CB ARG A 192 -9.069 -2.373 6.658 1.00 0.00 C ATOM 768 CG ARG A 192 -9.936 -1.857 7.806 1.00 0.00 C ATOM 769 CD ARG A 192 -9.653 -2.673 9.068 1.00 0.00 C ATOM 770 NE ARG A 192 -10.680 -3.743 9.206 1.00 0.00 N ATOM 771 CZ ARG A 192 -10.959 -4.229 10.384 1.00 0.00 C ATOM 772 NH1 ARG A 192 -9.996 -4.556 11.201 1.00 0.00 N ATOM 773 NH2 ARG A 192 -12.204 -4.389 10.744 1.00 0.00 N ATOM 0 H ARG A 192 -8.084 -3.609 4.731 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.522 -3.887 6.206 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -8.284 -3.023 7.045 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -8.575 -1.540 6.158 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -9.727 -0.803 7.988 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -10.991 -1.932 7.541 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -8.658 -3.114 9.014 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -9.667 -2.025 9.944 1.00 0.00 H new ATOM 0 HE ARG A 192 -11.165 -4.095 8.380 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -9.024 -4.432 10.919 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -10.215 -4.936 12.122 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -12.957 -4.134 10.104 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -12.424 -4.769 11.665 1.00 0.00 H new ATOM 787 N MET A 193 -10.352 -1.477 3.969 1.00 0.00 N ATOM 788 CA MET A 193 -11.178 -0.506 3.200 1.00 0.00 C ATOM 789 C MET A 193 -12.110 -1.263 2.254 1.00 0.00 C ATOM 790 O MET A 193 -13.313 -1.088 2.271 1.00 0.00 O ATOM 791 CB MET A 193 -10.254 0.392 2.378 1.00 0.00 C ATOM 792 CG MET A 193 -10.901 1.766 2.198 1.00 0.00 C ATOM 793 SD MET A 193 -10.248 2.908 3.439 1.00 0.00 S ATOM 794 CE MET A 193 -8.565 3.020 2.782 1.00 0.00 C ATOM 0 H MET A 193 -9.380 -1.548 3.667 1.00 0.00 H new ATOM 0 HA MET A 193 -11.770 0.097 3.889 1.00 0.00 H new ATOM 0 HB2 MET A 193 -9.291 0.495 2.878 1.00 0.00 H new ATOM 0 HB3 MET A 193 -10.061 -0.061 1.405 1.00 0.00 H new ATOM 0 HG2 MET A 193 -10.699 2.146 1.197 1.00 0.00 H new ATOM 0 HG3 MET A 193 -11.984 1.686 2.296 1.00 0.00 H new ATOM 0 HE1 MET A 193 -7.851 2.760 3.564 1.00 0.00 H new ATOM 0 HE2 MET A 193 -8.454 2.330 1.946 1.00 0.00 H new ATOM 0 HE3 MET A 193 -8.375 4.037 2.440 1.00 0.00 H new ATOM 804 N ARG A 194 -11.558 -2.101 1.423 1.00 0.00 N ATOM 805 CA ARG A 194 -12.396 -2.873 0.464 1.00 0.00 C ATOM 806 C ARG A 194 -12.846 -4.180 1.111 1.00 0.00 C ATOM 807 O ARG A 194 -14.021 -4.478 1.194 1.00 0.00 O ATOM 808 CB ARG A 194 -11.570 -3.188 -0.784 1.00 0.00 C ATOM 809 CG ARG A 194 -11.361 -1.907 -1.595 1.00 0.00 C ATOM 810 CD ARG A 194 -11.141 -2.264 -3.066 1.00 0.00 C ATOM 811 NE ARG A 194 -12.011 -1.408 -3.923 1.00 0.00 N ATOM 812 CZ ARG A 194 -12.045 -1.601 -5.214 1.00 0.00 C ATOM 813 NH1 ARG A 194 -11.010 -1.288 -5.947 1.00 0.00 N ATOM 814 NH2 ARG A 194 -13.112 -2.103 -5.771 1.00 0.00 N ATOM 0 H ARG A 194 -10.556 -2.286 1.366 1.00 0.00 H new ATOM 0 HA ARG A 194 -13.271 -2.284 0.191 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -10.607 -3.611 -0.498 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -12.080 -3.936 -1.391 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -12.228 -1.255 -1.494 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -10.502 -1.357 -1.211 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -10.094 -2.119 -3.333 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -11.370 -3.316 -3.234 1.00 0.00 H new ATOM 0 HE ARG A 194 -12.579 -0.673 -3.501 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -10.177 -0.893 -5.511 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -11.035 -1.438 -6.956 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -13.920 -2.345 -5.198 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -13.138 -2.254 -6.779 1.00 0.00 H new ATOM 828 N GLY A 195 -11.915 -4.961 1.571 1.00 0.00 N ATOM 829 CA GLY A 195 -12.274 -6.256 2.218 1.00 0.00 C ATOM 830 C GLY A 195 -13.086 -7.104 1.239 1.00 0.00 C ATOM 831 O GLY A 195 -13.503 -6.638 0.198 1.00 0.00 O ATOM 0 H GLY A 195 -10.916 -4.761 1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -11.371 -6.789 2.516 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -12.851 -6.075 3.125 1.00 0.00 H new ATOM 835 N SER A 196 -13.317 -8.346 1.565 1.00 0.00 N ATOM 836 CA SER A 196 -14.103 -9.222 0.652 1.00 0.00 C ATOM 837 C SER A 196 -13.441 -9.247 -0.729 1.00 0.00 C ATOM 838 O SER A 196 -13.845 -8.546 -1.635 1.00 0.00 O ATOM 839 CB SER A 196 -15.530 -8.685 0.525 1.00 0.00 C ATOM 840 OG SER A 196 -15.629 -7.443 1.210 1.00 0.00 O ATOM 0 H SER A 196 -12.995 -8.792 2.424 1.00 0.00 H new ATOM 0 HA SER A 196 -14.133 -10.233 1.059 1.00 0.00 H new ATOM 0 HB2 SER A 196 -15.790 -8.555 -0.526 1.00 0.00 H new ATOM 0 HB3 SER A 196 -16.238 -9.401 0.942 1.00 0.00 H new ATOM 0 HG SER A 196 -15.288 -6.725 0.637 1.00 0.00 H new ATOM 846 N ARG A 197 -12.430 -10.053 -0.895 1.00 0.00 N ATOM 847 CA ARG A 197 -11.741 -10.130 -2.214 1.00 0.00 C ATOM 848 C ARG A 197 -11.316 -8.730 -2.662 1.00 0.00 C ATOM 849 O ARG A 197 -12.106 -7.964 -3.175 1.00 0.00 O ATOM 850 CB ARG A 197 -12.697 -10.724 -3.252 1.00 0.00 C ATOM 851 CG ARG A 197 -12.475 -12.235 -3.347 1.00 0.00 C ATOM 852 CD ARG A 197 -12.064 -12.601 -4.775 1.00 0.00 C ATOM 853 NE ARG A 197 -12.687 -13.901 -5.153 1.00 0.00 N ATOM 854 CZ ARG A 197 -13.796 -13.917 -5.841 1.00 0.00 C ATOM 855 NH1 ARG A 197 -13.895 -13.217 -6.939 1.00 0.00 N ATOM 856 NH2 ARG A 197 -14.806 -14.634 -5.433 1.00 0.00 N ATOM 0 H ARG A 197 -12.050 -10.664 -0.172 1.00 0.00 H new ATOM 0 HA ARG A 197 -10.858 -10.762 -2.121 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -13.730 -10.515 -2.972 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -12.529 -10.260 -4.224 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -11.702 -12.545 -2.644 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -13.387 -12.765 -3.072 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -12.379 -11.820 -5.467 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -10.979 -12.671 -4.846 1.00 0.00 H new ATOM 0 HE ARG A 197 -12.247 -14.778 -4.874 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -13.105 -12.657 -7.260 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -14.762 -13.230 -7.476 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -14.729 -15.182 -4.576 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -15.673 -14.647 -5.971 1.00 0.00 H new ATOM 870 N ALA A 198 -10.067 -8.393 -2.481 1.00 0.00 N ATOM 871 CA ALA A 198 -9.588 -7.048 -2.906 1.00 0.00 C ATOM 872 C ALA A 198 -8.272 -7.204 -3.669 1.00 0.00 C ATOM 873 O ALA A 198 -7.748 -8.292 -3.803 1.00 0.00 O ATOM 874 CB ALA A 198 -9.370 -6.162 -1.677 1.00 0.00 C ATOM 0 H ALA A 198 -9.358 -8.992 -2.057 1.00 0.00 H new ATOM 0 HA ALA A 198 -10.333 -6.582 -3.550 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -9.020 -5.180 -1.994 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -10.309 -6.055 -1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -8.625 -6.620 -1.026 1.00 0.00 H new ATOM 880 N LEU A 199 -7.734 -6.130 -4.178 1.00 0.00 N ATOM 881 CA LEU A 199 -6.457 -6.230 -4.938 1.00 0.00 C ATOM 882 C LEU A 199 -5.275 -5.916 -4.019 1.00 0.00 C ATOM 883 O LEU A 199 -5.067 -4.788 -3.620 1.00 0.00 O ATOM 884 CB LEU A 199 -6.479 -5.235 -6.099 1.00 0.00 C ATOM 885 CG LEU A 199 -6.966 -5.942 -7.365 1.00 0.00 C ATOM 886 CD1 LEU A 199 -8.395 -6.444 -7.151 1.00 0.00 C ATOM 887 CD2 LEU A 199 -6.943 -4.962 -8.539 1.00 0.00 C ATOM 0 H LEU A 199 -8.122 -5.190 -4.101 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.348 -7.243 -5.324 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.135 -4.397 -5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -5.482 -4.824 -6.259 1.00 0.00 H new ATOM 0 HG LEU A 199 -6.312 -6.786 -7.583 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -8.743 -6.948 -8.053 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -8.414 -7.143 -6.315 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -9.048 -5.599 -6.933 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -7.290 -5.466 -9.441 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -7.597 -4.118 -8.321 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -5.926 -4.603 -8.693 1.00 0.00 H new ATOM 899 N LEU A 200 -4.494 -6.909 -3.685 1.00 0.00 N ATOM 900 CA LEU A 200 -3.320 -6.675 -2.798 1.00 0.00 C ATOM 901 C LEU A 200 -2.081 -7.311 -3.429 1.00 0.00 C ATOM 902 O LEU A 200 -2.151 -8.369 -4.021 1.00 0.00 O ATOM 903 CB LEU A 200 -3.547 -7.313 -1.418 1.00 0.00 C ATOM 904 CG LEU A 200 -4.898 -8.031 -1.365 1.00 0.00 C ATOM 905 CD1 LEU A 200 -4.874 -9.081 -0.253 1.00 0.00 C ATOM 906 CD2 LEU A 200 -6.002 -7.013 -1.077 1.00 0.00 C ATOM 0 H LEU A 200 -4.620 -7.874 -3.990 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.184 -5.600 -2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.746 -8.020 -1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.509 -6.544 -0.646 1.00 0.00 H new ATOM 0 HG LEU A 200 -5.089 -8.518 -2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.836 -9.593 -0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -4.085 -9.806 -0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -4.684 -8.594 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.965 -7.522 -1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.809 -6.528 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -6.020 -6.262 -1.867 1.00 0.00 H new ATOM 918 N ASN A 201 -0.943 -6.686 -3.299 1.00 0.00 N ATOM 919 CA ASN A 201 0.291 -7.288 -3.889 1.00 0.00 C ATOM 920 C ASN A 201 0.390 -8.728 -3.396 1.00 0.00 C ATOM 921 O ASN A 201 0.869 -9.605 -4.086 1.00 0.00 O ATOM 922 CB ASN A 201 1.548 -6.521 -3.447 1.00 0.00 C ATOM 923 CG ASN A 201 1.192 -5.091 -3.037 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.503 -4.682 -1.839 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 0.627 -4.343 -3.810 1.00 0.00 N flip ATOM 0 H ASN A 201 -0.812 -5.797 -2.817 1.00 0.00 H new ATOM 0 HA ASN A 201 0.230 -7.242 -4.976 1.00 0.00 H new ATOM 0 HB2 ASN A 201 2.020 -7.037 -2.611 1.00 0.00 H new ATOM 0 HB3 ASN A 201 2.273 -6.502 -4.261 1.00 0.00 H new ATOM 0 HD21 ASN A 201 0.385 -4.666 -4.747 1.00 0.00 H new ATOM 0 HD22 ASN A 201 0.395 -3.392 -3.522 1.00 0.00 H new ATOM 932 N PHE A 202 -0.081 -8.973 -2.203 1.00 0.00 N ATOM 933 CA PHE A 202 -0.041 -10.350 -1.641 1.00 0.00 C ATOM 934 C PHE A 202 -1.463 -10.761 -1.246 1.00 0.00 C ATOM 935 O PHE A 202 -1.882 -10.533 -0.130 1.00 0.00 O ATOM 936 CB PHE A 202 0.854 -10.380 -0.400 1.00 0.00 C ATOM 937 CG PHE A 202 2.127 -9.616 -0.663 1.00 0.00 C ATOM 938 CD1 PHE A 202 2.740 -9.679 -1.920 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.702 -8.851 0.359 1.00 0.00 C ATOM 940 CE1 PHE A 202 3.928 -8.978 -2.155 1.00 0.00 C ATOM 941 CE2 PHE A 202 3.888 -8.148 0.125 1.00 0.00 C ATOM 942 CZ PHE A 202 4.503 -8.211 -1.133 1.00 0.00 C ATOM 0 H PHE A 202 -0.495 -8.271 -1.590 1.00 0.00 H new ATOM 0 HA PHE A 202 0.358 -11.038 -2.386 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.327 -9.944 0.449 1.00 0.00 H new ATOM 0 HB3 PHE A 202 1.087 -11.411 -0.135 1.00 0.00 H new ATOM 0 HD1 PHE A 202 2.296 -10.269 -2.708 1.00 0.00 H new ATOM 0 HD2 PHE A 202 2.229 -8.804 1.329 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.402 -9.028 -3.124 1.00 0.00 H new ATOM 0 HE2 PHE A 202 4.330 -7.557 0.913 1.00 0.00 H new ATOM 0 HZ PHE A 202 5.419 -7.669 -1.314 1.00 0.00 H new ATOM 952 N PRO A 203 -2.163 -11.349 -2.180 1.00 0.00 N ATOM 953 CA PRO A 203 -3.550 -11.797 -1.965 1.00 0.00 C ATOM 954 C PRO A 203 -3.574 -13.080 -1.129 1.00 0.00 C ATOM 955 O PRO A 203 -3.368 -14.166 -1.633 1.00 0.00 O ATOM 956 CB PRO A 203 -4.069 -12.049 -3.384 1.00 0.00 C ATOM 957 CG PRO A 203 -2.822 -12.274 -4.271 1.00 0.00 C ATOM 958 CD PRO A 203 -1.636 -11.629 -3.532 1.00 0.00 C ATOM 0 HA PRO A 203 -4.157 -11.074 -1.420 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -4.725 -12.919 -3.409 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -4.652 -11.200 -3.741 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -2.647 -13.338 -4.431 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -2.959 -11.822 -5.254 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -0.778 -12.300 -3.494 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -1.306 -10.716 -4.028 1.00 0.00 H new