USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=7 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 -98:sc= 0.324 USER MOD Single : A 151 GLN : amide:sc= -0.049 X(o=-0.049,f=-0.37) 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 : amide:sc= -0.108 X(o=-0.11,f=-0.0086) USER MOD Single : A 175 THR OG1 : rot -160:sc= 0 USER MOD Single : A 178 THR OG1 : rot -108:sc= -0.0874! USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 193 MET CE :methyl -107:sc= -2.2 (180deg=-4.66!) USER MOD Single : A 196 SER OG : rot 180:sc= 0.142 USER MOD Single : A 201 ASN :FLIP amide:sc= -3.43 F(o=-7.1!,f=-3.4) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.283 -3.536 -6.946 1.00 0.00 N ATOM 41 CA TYR A 146 3.933 -3.565 -6.320 1.00 0.00 C ATOM 42 C TYR A 146 3.222 -2.237 -6.569 1.00 0.00 C ATOM 43 O TYR A 146 3.831 -1.187 -6.562 1.00 0.00 O ATOM 44 CB TYR A 146 4.071 -3.766 -4.813 1.00 0.00 C ATOM 45 CG TYR A 146 4.695 -5.104 -4.524 1.00 0.00 C ATOM 46 CD1 TYR A 146 4.323 -6.233 -5.263 1.00 0.00 C ATOM 47 CD2 TYR A 146 5.637 -5.216 -3.500 1.00 0.00 C ATOM 48 CE1 TYR A 146 4.897 -7.477 -4.974 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.212 -6.455 -3.209 1.00 0.00 C ATOM 50 CZ TYR A 146 5.842 -7.590 -3.944 1.00 0.00 C ATOM 51 OH TYR A 146 6.409 -8.815 -3.659 1.00 0.00 O ATOM 0 HA TYR A 146 3.359 -4.383 -6.756 1.00 0.00 H new ATOM 0 HB2 TYR A 146 4.683 -2.971 -4.387 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.092 -3.703 -4.339 1.00 0.00 H new ATOM 0 HD1 TYR A 146 3.594 -6.145 -6.055 1.00 0.00 H new ATOM 0 HD2 TYR A 146 5.922 -4.343 -2.932 1.00 0.00 H new ATOM 0 HE1 TYR A 146 4.612 -8.349 -5.544 1.00 0.00 H new ATOM 0 HE2 TYR A 146 6.942 -6.539 -2.417 1.00 0.00 H new ATOM 0 HH TYR A 146 5.941 -9.224 -2.902 1.00 0.00 H new ATOM 61 N ARG A 147 1.935 -2.274 -6.774 1.00 0.00 N ATOM 62 CA ARG A 147 1.183 -1.012 -7.006 1.00 0.00 C ATOM 63 C ARG A 147 0.906 -0.345 -5.657 1.00 0.00 C ATOM 64 O ARG A 147 -0.198 -0.375 -5.153 1.00 0.00 O ATOM 65 CB ARG A 147 -0.140 -1.329 -7.705 1.00 0.00 C ATOM 66 CG ARG A 147 0.119 -2.266 -8.887 1.00 0.00 C ATOM 67 CD ARG A 147 -0.550 -3.614 -8.624 1.00 0.00 C ATOM 68 NE ARG A 147 -0.064 -4.610 -9.620 1.00 0.00 N ATOM 69 CZ ARG A 147 -0.422 -4.508 -10.870 1.00 0.00 C ATOM 70 NH1 ARG A 147 -1.620 -4.871 -11.236 1.00 0.00 N ATOM 71 NH2 ARG A 147 0.419 -4.041 -11.753 1.00 0.00 N ATOM 0 H ARG A 147 1.372 -3.124 -6.791 1.00 0.00 H new ATOM 0 HA ARG A 147 1.768 -0.341 -7.635 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.832 -1.794 -7.003 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.609 -0.409 -8.053 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -0.271 -1.827 -9.805 1.00 0.00 H new ATOM 0 HG3 ARG A 147 1.191 -2.402 -9.029 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -0.324 -3.954 -7.613 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -1.633 -3.514 -8.692 1.00 0.00 H new ATOM 0 HE ARG A 147 0.548 -5.371 -9.325 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -2.276 -5.234 -10.545 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -1.901 -4.791 -12.213 1.00 0.00 H new ATOM 0 HH21 ARG A 147 1.355 -3.756 -11.465 1.00 0.00 H new ATOM 0 HH22 ARG A 147 0.140 -3.961 -12.731 1.00 0.00 H new ATOM 85 N GLY A 148 1.904 0.252 -5.065 1.00 0.00 N ATOM 86 CA GLY A 148 1.698 0.913 -3.747 1.00 0.00 C ATOM 87 C GLY A 148 3.025 0.988 -2.986 1.00 0.00 C ATOM 88 O GLY A 148 3.160 1.736 -2.039 1.00 0.00 O ATOM 0 H GLY A 148 2.852 0.310 -5.437 1.00 0.00 H new ATOM 0 HA2 GLY A 148 1.296 1.915 -3.893 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.965 0.357 -3.163 1.00 0.00 H new ATOM 92 N VAL A 149 4.009 0.225 -3.387 1.00 0.00 N ATOM 93 CA VAL A 149 5.316 0.275 -2.668 1.00 0.00 C ATOM 94 C VAL A 149 6.338 1.035 -3.507 1.00 0.00 C ATOM 95 O VAL A 149 6.779 0.576 -4.542 1.00 0.00 O ATOM 96 CB VAL A 149 5.826 -1.142 -2.404 1.00 0.00 C ATOM 97 CG1 VAL A 149 6.981 -1.093 -1.403 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.694 -1.983 -1.823 1.00 0.00 C ATOM 0 H VAL A 149 3.965 -0.424 -4.173 1.00 0.00 H new ATOM 0 HA VAL A 149 5.174 0.787 -1.716 1.00 0.00 H new ATOM 0 HB VAL A 149 6.173 -1.583 -3.338 1.00 0.00 H new ATOM 0 HG11 VAL A 149 7.343 -2.104 -1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.790 -0.487 -1.811 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.634 -0.653 -0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 149 5.053 -2.995 -1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 149 4.352 -1.538 -0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.867 -2.019 -2.532 1.00 0.00 H new ATOM 108 N ARG A 150 6.722 2.193 -3.057 1.00 0.00 N ATOM 109 CA ARG A 150 7.726 2.995 -3.809 1.00 0.00 C ATOM 110 C ARG A 150 9.024 3.030 -3.005 1.00 0.00 C ATOM 111 O ARG A 150 9.019 3.286 -1.817 1.00 0.00 O ATOM 112 CB ARG A 150 7.204 4.419 -4.006 1.00 0.00 C ATOM 113 CG ARG A 150 6.858 4.635 -5.480 1.00 0.00 C ATOM 114 CD ARG A 150 7.381 5.998 -5.934 1.00 0.00 C ATOM 115 NE ARG A 150 6.253 6.810 -6.470 1.00 0.00 N ATOM 116 CZ ARG A 150 5.546 7.557 -5.665 1.00 0.00 C ATOM 117 NH1 ARG A 150 6.119 8.527 -5.007 1.00 0.00 N ATOM 118 NH2 ARG A 150 4.268 7.333 -5.519 1.00 0.00 N ATOM 0 H ARG A 150 6.383 2.622 -2.196 1.00 0.00 H new ATOM 0 HA ARG A 150 7.905 2.546 -4.786 1.00 0.00 H new ATOM 0 HB2 ARG A 150 6.322 4.584 -3.386 1.00 0.00 H new ATOM 0 HB3 ARG A 150 7.956 5.141 -3.688 1.00 0.00 H new ATOM 0 HG2 ARG A 150 7.299 3.844 -6.087 1.00 0.00 H new ATOM 0 HG3 ARG A 150 5.779 4.582 -5.622 1.00 0.00 H new ATOM 0 HD2 ARG A 150 7.851 6.516 -5.098 1.00 0.00 H new ATOM 0 HD3 ARG A 150 8.146 5.869 -6.700 1.00 0.00 H new ATOM 0 HE ARG A 150 6.033 6.783 -7.466 1.00 0.00 H new ATOM 0 HH11 ARG A 150 7.117 8.701 -5.122 1.00 0.00 H new ATOM 0 HH12 ARG A 150 5.568 9.111 -4.378 1.00 0.00 H new ATOM 0 HH21 ARG A 150 3.821 6.574 -6.034 1.00 0.00 H new ATOM 0 HH22 ARG A 150 3.716 7.917 -4.890 1.00 0.00 H new ATOM 132 N GLN A 151 10.136 2.761 -3.632 1.00 0.00 N ATOM 133 CA GLN A 151 11.425 2.766 -2.885 1.00 0.00 C ATOM 134 C GLN A 151 12.406 3.750 -3.519 1.00 0.00 C ATOM 135 O GLN A 151 12.625 3.745 -4.714 1.00 0.00 O ATOM 136 CB GLN A 151 12.036 1.363 -2.913 1.00 0.00 C ATOM 137 CG GLN A 151 12.014 0.816 -4.344 1.00 0.00 C ATOM 138 CD GLN A 151 11.123 -0.425 -4.403 1.00 0.00 C ATOM 139 OE1 GLN A 151 10.039 -0.436 -3.855 1.00 0.00 O ATOM 140 NE2 GLN A 151 11.537 -1.481 -5.050 1.00 0.00 N ATOM 0 H GLN A 151 10.208 2.539 -4.625 1.00 0.00 H new ATOM 0 HA GLN A 151 11.231 3.069 -1.856 1.00 0.00 H new ATOM 0 HB2 GLN A 151 13.060 1.395 -2.542 1.00 0.00 H new ATOM 0 HB3 GLN A 151 11.478 0.700 -2.252 1.00 0.00 H new ATOM 0 HG2 GLN A 151 11.641 1.577 -5.030 1.00 0.00 H new ATOM 0 HG3 GLN A 151 13.025 0.566 -4.664 1.00 0.00 H new ATOM 0 HE21 GLN A 151 12.447 -1.473 -5.510 1.00 0.00 H new ATOM 0 HE22 GLN A 151 10.950 -2.314 -5.095 1.00 0.00 H new ATOM 149 N ARG A 152 13.017 4.580 -2.719 1.00 0.00 N ATOM 150 CA ARG A 152 14.006 5.550 -3.269 1.00 0.00 C ATOM 151 C ARG A 152 15.261 4.758 -3.672 1.00 0.00 C ATOM 152 O ARG A 152 15.241 3.544 -3.636 1.00 0.00 O ATOM 153 CB ARG A 152 14.346 6.597 -2.200 1.00 0.00 C ATOM 154 CG ARG A 152 13.148 6.801 -1.266 1.00 0.00 C ATOM 155 CD ARG A 152 12.907 8.297 -1.065 1.00 0.00 C ATOM 156 NE ARG A 152 12.763 8.958 -2.392 1.00 0.00 N ATOM 157 CZ ARG A 152 13.467 10.020 -2.671 1.00 0.00 C ATOM 158 NH1 ARG A 152 13.571 10.982 -1.797 1.00 0.00 N ATOM 159 NH2 ARG A 152 14.065 10.121 -3.827 1.00 0.00 N ATOM 0 H ARG A 152 12.875 4.629 -1.710 1.00 0.00 H new ATOM 0 HA ARG A 152 13.602 6.072 -4.136 1.00 0.00 H new ATOM 0 HB2 ARG A 152 15.214 6.274 -1.626 1.00 0.00 H new ATOM 0 HB3 ARG A 152 14.612 7.541 -2.675 1.00 0.00 H new ATOM 0 HG2 ARG A 152 12.260 6.332 -1.689 1.00 0.00 H new ATOM 0 HG3 ARG A 152 13.336 6.320 -0.306 1.00 0.00 H new ATOM 0 HD2 ARG A 152 12.008 8.455 -0.468 1.00 0.00 H new ATOM 0 HD3 ARG A 152 13.737 8.739 -0.514 1.00 0.00 H new ATOM 0 HE ARG A 152 12.114 8.580 -3.082 1.00 0.00 H new ATOM 0 HH11 ARG A 152 13.102 10.904 -0.895 1.00 0.00 H new ATOM 0 HH12 ARG A 152 14.122 11.812 -2.016 1.00 0.00 H new ATOM 0 HH21 ARG A 152 13.982 9.370 -4.512 1.00 0.00 H new ATOM 0 HH22 ARG A 152 14.616 10.951 -4.046 1.00 0.00 H new ATOM 173 N PRO A 153 16.313 5.444 -4.049 1.00 0.00 N ATOM 174 CA PRO A 153 17.562 4.780 -4.460 1.00 0.00 C ATOM 175 C PRO A 153 18.337 4.313 -3.225 1.00 0.00 C ATOM 176 O PRO A 153 19.137 5.040 -2.669 1.00 0.00 O ATOM 177 CB PRO A 153 18.319 5.873 -5.221 1.00 0.00 C ATOM 178 CG PRO A 153 17.743 7.224 -4.735 1.00 0.00 C ATOM 179 CD PRO A 153 16.371 6.921 -4.100 1.00 0.00 C ATOM 0 HA PRO A 153 17.404 3.890 -5.070 1.00 0.00 H new ATOM 0 HB2 PRO A 153 19.389 5.814 -5.023 1.00 0.00 H new ATOM 0 HB3 PRO A 153 18.187 5.759 -6.297 1.00 0.00 H new ATOM 0 HG2 PRO A 153 18.410 7.690 -4.010 1.00 0.00 H new ATOM 0 HG3 PRO A 153 17.639 7.921 -5.566 1.00 0.00 H new ATOM 0 HD2 PRO A 153 16.288 7.357 -3.105 1.00 0.00 H new ATOM 0 HD3 PRO A 153 15.557 7.331 -4.697 1.00 0.00 H new ATOM 187 N TRP A 154 18.095 3.106 -2.785 1.00 0.00 N ATOM 188 CA TRP A 154 18.806 2.599 -1.579 1.00 0.00 C ATOM 189 C TRP A 154 18.389 3.443 -0.376 1.00 0.00 C ATOM 190 O TRP A 154 19.217 3.946 0.358 1.00 0.00 O ATOM 191 CB TRP A 154 20.318 2.717 -1.785 1.00 0.00 C ATOM 192 CG TRP A 154 20.885 1.371 -2.103 1.00 0.00 C ATOM 193 CD1 TRP A 154 20.791 0.752 -3.302 1.00 0.00 C ATOM 194 CD2 TRP A 154 21.629 0.471 -1.234 1.00 0.00 C ATOM 195 NE1 TRP A 154 21.429 -0.473 -3.224 1.00 0.00 N ATOM 196 CE2 TRP A 154 21.961 -0.693 -1.969 1.00 0.00 C ATOM 197 CE3 TRP A 154 22.043 0.549 0.110 1.00 0.00 C ATOM 198 CZ2 TRP A 154 22.680 -1.740 -1.390 1.00 0.00 C ATOM 199 CZ3 TRP A 154 22.766 -0.504 0.696 1.00 0.00 C ATOM 200 CH2 TRP A 154 23.084 -1.646 -0.053 1.00 0.00 C ATOM 0 H TRP A 154 17.437 2.452 -3.209 1.00 0.00 H new ATOM 0 HA TRP A 154 18.550 1.553 -1.410 1.00 0.00 H new ATOM 0 HB2 TRP A 154 20.532 3.414 -2.595 1.00 0.00 H new ATOM 0 HB3 TRP A 154 20.788 3.118 -0.887 1.00 0.00 H new ATOM 0 HD1 TRP A 154 20.298 1.149 -4.177 1.00 0.00 H new ATOM 0 HE1 TRP A 154 21.498 -1.133 -3.999 1.00 0.00 H new ATOM 0 HE3 TRP A 154 21.803 1.425 0.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 22.923 -2.618 -1.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 23.078 -0.433 1.728 1.00 0.00 H new ATOM 0 HH2 TRP A 154 23.640 -2.453 0.401 1.00 0.00 H new ATOM 211 N GLY A 155 17.110 3.621 -0.178 1.00 0.00 N ATOM 212 CA GLY A 155 16.656 4.454 0.968 1.00 0.00 C ATOM 213 C GLY A 155 15.426 3.842 1.640 1.00 0.00 C ATOM 214 O GLY A 155 15.445 2.714 2.093 1.00 0.00 O ATOM 0 H GLY A 155 16.367 3.228 -0.756 1.00 0.00 H new ATOM 0 HA2 GLY A 155 17.462 4.548 1.695 1.00 0.00 H new ATOM 0 HA3 GLY A 155 16.421 5.460 0.620 1.00 0.00 H new ATOM 218 N LYS A 156 14.363 4.596 1.728 1.00 0.00 N ATOM 219 CA LYS A 156 13.129 4.090 2.396 1.00 0.00 C ATOM 220 C LYS A 156 12.052 3.775 1.359 1.00 0.00 C ATOM 221 O LYS A 156 11.996 4.371 0.301 1.00 0.00 O ATOM 222 CB LYS A 156 12.596 5.167 3.335 1.00 0.00 C ATOM 223 CG LYS A 156 13.671 5.531 4.361 1.00 0.00 C ATOM 224 CD LYS A 156 13.037 6.322 5.507 1.00 0.00 C ATOM 225 CE LYS A 156 14.118 6.708 6.518 1.00 0.00 C ATOM 226 NZ LYS A 156 13.750 7.996 7.172 1.00 0.00 N ATOM 0 H LYS A 156 14.296 5.546 1.364 1.00 0.00 H new ATOM 0 HA LYS A 156 13.374 3.183 2.948 1.00 0.00 H new ATOM 0 HB2 LYS A 156 12.309 6.051 2.765 1.00 0.00 H new ATOM 0 HB3 LYS A 156 11.700 4.810 3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 156 14.142 4.627 4.746 1.00 0.00 H new ATOM 0 HG3 LYS A 156 14.455 6.122 3.888 1.00 0.00 H new ATOM 0 HD2 LYS A 156 12.550 7.217 5.120 1.00 0.00 H new ATOM 0 HD3 LYS A 156 12.266 5.724 5.993 1.00 0.00 H new ATOM 0 HE2 LYS A 156 14.226 5.925 7.268 1.00 0.00 H new ATOM 0 HE3 LYS A 156 15.081 6.804 6.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 14.485 8.259 7.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 13.669 8.741 6.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 12.839 7.888 7.663 1.00 0.00 H new ATOM 240 N PHE A 157 11.186 2.845 1.664 1.00 0.00 N ATOM 241 CA PHE A 157 10.098 2.489 0.711 1.00 0.00 C ATOM 242 C PHE A 157 8.817 3.187 1.176 1.00 0.00 C ATOM 243 O PHE A 157 8.846 4.001 2.078 1.00 0.00 O ATOM 244 CB PHE A 157 9.882 0.970 0.702 1.00 0.00 C ATOM 245 CG PHE A 157 11.022 0.262 -0.003 1.00 0.00 C ATOM 246 CD1 PHE A 157 12.318 0.804 -0.003 1.00 0.00 C ATOM 247 CD2 PHE A 157 10.780 -0.957 -0.649 1.00 0.00 C ATOM 248 CE1 PHE A 157 13.364 0.132 -0.642 1.00 0.00 C ATOM 249 CE2 PHE A 157 11.826 -1.630 -1.291 1.00 0.00 C ATOM 250 CZ PHE A 157 13.119 -1.088 -1.287 1.00 0.00 C ATOM 0 H PHE A 157 11.187 2.316 2.536 1.00 0.00 H new ATOM 0 HA PHE A 157 10.364 2.806 -0.297 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.800 0.605 1.726 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.941 0.736 0.204 1.00 0.00 H new ATOM 0 HD1 PHE A 157 12.507 1.744 0.493 1.00 0.00 H new ATOM 0 HD2 PHE A 157 9.785 -1.378 -0.652 1.00 0.00 H new ATOM 0 HE1 PHE A 157 14.359 0.552 -0.639 1.00 0.00 H new ATOM 0 HE2 PHE A 157 11.637 -2.569 -1.790 1.00 0.00 H new ATOM 0 HZ PHE A 157 13.925 -1.610 -1.780 1.00 0.00 H new ATOM 260 N ALA A 158 7.691 2.889 0.585 1.00 0.00 N ATOM 261 CA ALA A 158 6.438 3.563 1.034 1.00 0.00 C ATOM 262 C ALA A 158 5.209 2.802 0.545 1.00 0.00 C ATOM 263 O ALA A 158 4.998 2.627 -0.638 1.00 0.00 O ATOM 264 CB ALA A 158 6.398 4.987 0.478 1.00 0.00 C ATOM 0 H ALA A 158 7.584 2.219 -0.177 1.00 0.00 H new ATOM 0 HA ALA A 158 6.429 3.584 2.124 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.483 5.480 0.806 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.261 5.544 0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.422 4.953 -0.611 1.00 0.00 H new ATOM 270 N ALA A 159 4.380 2.369 1.453 1.00 0.00 N ATOM 271 CA ALA A 159 3.147 1.641 1.056 1.00 0.00 C ATOM 272 C ALA A 159 1.966 2.613 1.111 1.00 0.00 C ATOM 273 O ALA A 159 1.679 3.197 2.140 1.00 0.00 O ATOM 274 CB ALA A 159 2.903 0.481 2.023 1.00 0.00 C ATOM 0 H ALA A 159 4.506 2.490 2.458 1.00 0.00 H new ATOM 0 HA ALA A 159 3.256 1.245 0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 159 1.998 -0.052 1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.752 -0.202 1.994 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.784 0.869 3.035 1.00 0.00 H new ATOM 280 N GLU A 160 1.290 2.803 0.009 1.00 0.00 N ATOM 281 CA GLU A 160 0.136 3.747 -0.007 1.00 0.00 C ATOM 282 C GLU A 160 -1.032 3.120 -0.772 1.00 0.00 C ATOM 283 O GLU A 160 -0.852 2.227 -1.578 1.00 0.00 O ATOM 284 CB GLU A 160 0.551 5.049 -0.699 1.00 0.00 C ATOM 285 CG GLU A 160 1.793 5.627 -0.015 1.00 0.00 C ATOM 286 CD GLU A 160 2.810 6.048 -1.077 1.00 0.00 C ATOM 287 OE1 GLU A 160 2.422 6.757 -1.990 1.00 0.00 O ATOM 288 OE2 GLU A 160 3.958 5.651 -0.961 1.00 0.00 O ATOM 0 H GLU A 160 1.488 2.345 -0.881 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.171 3.957 1.018 1.00 0.00 H new ATOM 0 HB2 GLU A 160 0.759 4.861 -1.752 1.00 0.00 H new ATOM 0 HB3 GLU A 160 -0.266 5.769 -0.659 1.00 0.00 H new ATOM 0 HG2 GLU A 160 1.517 6.484 0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 160 2.233 4.885 0.651 1.00 0.00 H new ATOM 295 N ILE A 161 -2.228 3.584 -0.532 1.00 0.00 N ATOM 296 CA ILE A 161 -3.407 3.019 -1.250 1.00 0.00 C ATOM 297 C ILE A 161 -4.381 4.148 -1.590 1.00 0.00 C ATOM 298 O ILE A 161 -4.840 4.868 -0.727 1.00 0.00 O ATOM 299 CB ILE A 161 -4.107 1.989 -0.360 1.00 0.00 C ATOM 300 CG1 ILE A 161 -5.388 1.509 -1.048 1.00 0.00 C ATOM 301 CG2 ILE A 161 -4.462 2.629 0.983 1.00 0.00 C ATOM 302 CD1 ILE A 161 -6.142 0.557 -0.117 1.00 0.00 C ATOM 0 H ILE A 161 -2.440 4.330 0.130 1.00 0.00 H new ATOM 0 HA ILE A 161 -3.075 2.534 -2.168 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.441 1.142 -0.194 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -6.018 2.361 -1.302 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -5.144 1.003 -1.982 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.960 1.895 1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.552 2.973 1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -5.127 3.476 0.818 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -7.054 0.215 -0.607 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.511 -0.301 0.114 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.399 1.078 0.805 1.00 0.00 H new ATOM 314 N ARG A 162 -4.700 4.309 -2.846 1.00 0.00 N ATOM 315 CA ARG A 162 -5.644 5.392 -3.243 1.00 0.00 C ATOM 316 C ARG A 162 -7.013 5.128 -2.616 1.00 0.00 C ATOM 317 O ARG A 162 -7.480 4.007 -2.569 1.00 0.00 O ATOM 318 CB ARG A 162 -5.778 5.419 -4.767 1.00 0.00 C ATOM 319 CG ARG A 162 -6.403 6.748 -5.200 1.00 0.00 C ATOM 320 CD ARG A 162 -5.300 7.704 -5.662 1.00 0.00 C ATOM 321 NE ARG A 162 -4.779 8.464 -4.490 1.00 0.00 N ATOM 322 CZ ARG A 162 -3.537 8.868 -4.474 1.00 0.00 C ATOM 323 NH1 ARG A 162 -3.114 9.720 -5.368 1.00 0.00 N ATOM 324 NH2 ARG A 162 -2.717 8.422 -3.562 1.00 0.00 N ATOM 0 H ARG A 162 -4.348 3.737 -3.614 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.263 6.352 -2.895 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -4.799 5.297 -5.231 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -6.397 4.587 -5.103 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -7.116 6.581 -6.007 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -6.957 7.189 -4.371 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -4.493 7.144 -6.134 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -5.691 8.393 -6.411 1.00 0.00 H new ATOM 0 HE ARG A 162 -5.392 8.668 -3.701 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -3.754 10.071 -6.081 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -2.144 10.034 -5.354 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -3.046 7.758 -2.861 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -1.747 8.738 -3.550 1.00 0.00 H new ATOM 338 N ASP A 163 -7.661 6.153 -2.134 1.00 0.00 N ATOM 339 CA ASP A 163 -9.001 5.964 -1.511 1.00 0.00 C ATOM 340 C ASP A 163 -9.996 6.941 -2.145 1.00 0.00 C ATOM 341 O ASP A 163 -10.057 8.090 -1.763 1.00 0.00 O ATOM 342 CB ASP A 163 -8.907 6.238 -0.009 1.00 0.00 C ATOM 343 CG ASP A 163 -10.276 6.016 0.640 1.00 0.00 C ATOM 344 OD1 ASP A 163 -11.268 6.129 -0.062 1.00 0.00 O ATOM 345 OD2 ASP A 163 -10.307 5.737 1.828 1.00 0.00 O ATOM 0 H ASP A 163 -7.320 7.114 -2.145 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.339 4.940 -1.674 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -8.167 5.580 0.445 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.573 7.261 0.164 1.00 0.00 H new ATOM 350 N PRO A 164 -10.749 6.454 -3.099 1.00 0.00 N ATOM 351 CA PRO A 164 -11.748 7.270 -3.806 1.00 0.00 C ATOM 352 C PRO A 164 -12.989 7.470 -2.932 1.00 0.00 C ATOM 353 O PRO A 164 -13.686 8.460 -3.044 1.00 0.00 O ATOM 354 CB PRO A 164 -12.076 6.441 -5.050 1.00 0.00 C ATOM 355 CG PRO A 164 -11.686 4.981 -4.716 1.00 0.00 C ATOM 356 CD PRO A 164 -10.676 5.051 -3.555 1.00 0.00 C ATOM 0 HA PRO A 164 -11.390 8.270 -4.053 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -13.135 6.513 -5.297 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -11.521 6.803 -5.916 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -12.564 4.401 -4.432 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -11.246 4.489 -5.584 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -10.938 4.358 -2.756 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -9.670 4.791 -3.885 1.00 0.00 H new ATOM 364 N ALA A 165 -13.266 6.542 -2.060 1.00 0.00 N ATOM 365 CA ALA A 165 -14.455 6.682 -1.177 1.00 0.00 C ATOM 366 C ALA A 165 -14.268 7.893 -0.262 1.00 0.00 C ATOM 367 O ALA A 165 -15.197 8.359 0.366 1.00 0.00 O ATOM 368 CB ALA A 165 -14.612 5.421 -0.327 1.00 0.00 C ATOM 0 H ALA A 165 -12.720 5.692 -1.921 1.00 0.00 H new ATOM 0 HA ALA A 165 -15.347 6.820 -1.788 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -15.483 5.524 0.320 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -14.744 4.557 -0.979 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -13.721 5.281 0.285 1.00 0.00 H new ATOM 374 N LYS A 166 -13.070 8.408 -0.179 1.00 0.00 N ATOM 375 CA LYS A 166 -12.825 9.587 0.699 1.00 0.00 C ATOM 376 C LYS A 166 -12.579 10.830 -0.161 1.00 0.00 C ATOM 377 O LYS A 166 -11.702 11.624 0.117 1.00 0.00 O ATOM 378 CB LYS A 166 -11.601 9.324 1.576 1.00 0.00 C ATOM 379 CG LYS A 166 -11.919 8.217 2.581 1.00 0.00 C ATOM 380 CD LYS A 166 -12.456 8.840 3.870 1.00 0.00 C ATOM 381 CE LYS A 166 -13.831 8.252 4.189 1.00 0.00 C ATOM 382 NZ LYS A 166 -14.392 8.935 5.388 1.00 0.00 N ATOM 0 H LYS A 166 -12.252 8.063 -0.681 1.00 0.00 H new ATOM 0 HA LYS A 166 -13.698 9.753 1.331 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -10.753 9.034 0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -11.315 10.235 2.102 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -12.655 7.531 2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -11.023 7.634 2.792 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -11.767 8.648 4.693 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -12.528 9.922 3.760 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -14.500 8.379 3.338 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -13.748 7.181 4.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -15.328 8.537 5.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -13.756 8.792 6.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -14.485 9.953 5.196 1.00 0.00 H new ATOM 396 N ASN A 167 -13.350 11.006 -1.197 1.00 0.00 N ATOM 397 CA ASN A 167 -13.167 12.200 -2.071 1.00 0.00 C ATOM 398 C ASN A 167 -11.713 12.291 -2.538 1.00 0.00 C ATOM 399 O ASN A 167 -11.197 13.364 -2.780 1.00 0.00 O ATOM 400 CB ASN A 167 -13.527 13.463 -1.287 1.00 0.00 C ATOM 401 CG ASN A 167 -14.402 14.365 -2.159 1.00 0.00 C ATOM 402 OD1 ASN A 167 -14.041 15.490 -2.443 1.00 0.00 O ATOM 403 ND2 ASN A 167 -15.544 13.914 -2.599 1.00 0.00 N ATOM 0 H ASN A 167 -14.100 10.374 -1.477 1.00 0.00 H new ATOM 0 HA ASN A 167 -13.817 12.107 -2.941 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -14.056 13.198 -0.371 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -12.621 13.992 -0.990 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -16.135 14.506 -3.182 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -15.846 12.969 -2.360 1.00 0.00 H new ATOM 410 N GLY A 168 -11.047 11.178 -2.675 1.00 0.00 N ATOM 411 CA GLY A 168 -9.629 11.212 -3.134 1.00 0.00 C ATOM 412 C GLY A 168 -8.711 11.531 -1.952 1.00 0.00 C ATOM 413 O GLY A 168 -8.090 12.575 -1.899 1.00 0.00 O ATOM 0 H GLY A 168 -11.422 10.248 -2.489 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -9.355 10.252 -3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -9.507 11.963 -3.914 1.00 0.00 H new ATOM 417 N ALA A 169 -8.618 10.640 -1.005 1.00 0.00 N ATOM 418 CA ALA A 169 -7.739 10.888 0.171 1.00 0.00 C ATOM 419 C ALA A 169 -6.620 9.849 0.194 1.00 0.00 C ATOM 420 O ALA A 169 -6.725 8.824 0.839 1.00 0.00 O ATOM 421 CB ALA A 169 -8.562 10.780 1.456 1.00 0.00 C ATOM 0 H ALA A 169 -9.114 9.749 -0.995 1.00 0.00 H new ATOM 0 HA ALA A 169 -7.308 11.887 0.100 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -7.918 10.962 2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -9.362 11.520 1.439 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -8.993 9.781 1.529 1.00 0.00 H new ATOM 427 N ARG A 170 -5.548 10.105 -0.508 1.00 0.00 N ATOM 428 CA ARG A 170 -4.419 9.135 -0.531 1.00 0.00 C ATOM 429 C ARG A 170 -4.179 8.598 0.881 1.00 0.00 C ATOM 430 O ARG A 170 -4.339 9.302 1.859 1.00 0.00 O ATOM 431 CB ARG A 170 -3.159 9.839 -1.036 1.00 0.00 C ATOM 432 CG ARG A 170 -2.916 11.106 -0.214 1.00 0.00 C ATOM 433 CD ARG A 170 -2.478 12.241 -1.143 1.00 0.00 C ATOM 434 NE ARG A 170 -2.384 13.511 -0.370 1.00 0.00 N ATOM 435 CZ ARG A 170 -1.403 13.690 0.473 1.00 0.00 C ATOM 436 NH1 ARG A 170 -1.461 13.159 1.664 1.00 0.00 N ATOM 437 NH2 ARG A 170 -0.365 14.401 0.125 1.00 0.00 N ATOM 0 H ARG A 170 -5.407 10.946 -1.067 1.00 0.00 H new ATOM 0 HA ARG A 170 -4.662 8.305 -1.195 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -2.301 9.172 -0.957 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -3.270 10.093 -2.090 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -3.825 11.387 0.318 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -2.150 10.922 0.539 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -1.514 12.005 -1.593 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -3.192 12.352 -1.959 1.00 0.00 H new ATOM 0 HE ARG A 170 -3.085 14.240 -0.499 1.00 0.00 H new ATOM 0 HH11 ARG A 170 -2.273 12.604 1.936 1.00 0.00 H new ATOM 0 HH12 ARG A 170 -0.695 13.299 2.323 1.00 0.00 H new ATOM 0 HH21 ARG A 170 -0.320 14.817 -0.805 1.00 0.00 H new ATOM 0 HH22 ARG A 170 0.401 14.541 0.783 1.00 0.00 H new ATOM 451 N VAL A 171 -3.803 7.355 0.999 1.00 0.00 N ATOM 452 CA VAL A 171 -3.563 6.779 2.351 1.00 0.00 C ATOM 453 C VAL A 171 -2.117 6.299 2.460 1.00 0.00 C ATOM 454 O VAL A 171 -1.808 5.156 2.188 1.00 0.00 O ATOM 455 CB VAL A 171 -4.510 5.599 2.576 1.00 0.00 C ATOM 456 CG1 VAL A 171 -4.073 4.820 3.820 1.00 0.00 C ATOM 457 CG2 VAL A 171 -5.932 6.126 2.777 1.00 0.00 C ATOM 0 H VAL A 171 -3.652 6.715 0.220 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.745 7.544 3.106 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.483 4.938 1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.749 3.980 3.979 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -3.058 4.448 3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -4.101 5.477 4.689 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.611 5.289 2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -5.957 6.785 3.645 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -6.243 6.680 1.892 1.00 0.00 H new ATOM 467 N TRP A 172 -1.225 7.161 2.864 1.00 0.00 N ATOM 468 CA TRP A 172 0.198 6.750 2.998 1.00 0.00 C ATOM 469 C TRP A 172 0.346 5.861 4.234 1.00 0.00 C ATOM 470 O TRP A 172 0.527 6.340 5.336 1.00 0.00 O ATOM 471 CB TRP A 172 1.076 7.995 3.151 1.00 0.00 C ATOM 472 CG TRP A 172 2.518 7.596 3.231 1.00 0.00 C ATOM 473 CD1 TRP A 172 3.090 6.940 4.269 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.581 7.821 2.258 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.431 6.748 3.994 1.00 0.00 N ATOM 476 CE2 TRP A 172 4.781 7.271 2.770 1.00 0.00 C ATOM 477 CE3 TRP A 172 3.621 8.440 0.994 1.00 0.00 C ATOM 478 CZ2 TRP A 172 5.978 7.333 2.056 1.00 0.00 C ATOM 479 CZ3 TRP A 172 4.825 8.504 0.271 1.00 0.00 C ATOM 480 CH2 TRP A 172 6.000 7.952 0.801 1.00 0.00 C ATOM 0 H TRP A 172 -1.422 8.132 3.107 1.00 0.00 H new ATOM 0 HA TRP A 172 0.509 6.199 2.111 1.00 0.00 H new ATOM 0 HB2 TRP A 172 0.922 8.666 2.306 1.00 0.00 H new ATOM 0 HB3 TRP A 172 0.791 8.543 4.049 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.581 6.619 5.166 1.00 0.00 H new ATOM 0 HE1 TRP A 172 5.082 6.276 4.622 1.00 0.00 H new ATOM 0 HE3 TRP A 172 2.721 8.868 0.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 6.880 6.907 2.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 4.845 8.981 -0.698 1.00 0.00 H new ATOM 0 HH2 TRP A 172 6.922 8.005 0.241 1.00 0.00 H new ATOM 491 N LEU A 173 0.270 4.569 4.063 1.00 0.00 N ATOM 492 CA LEU A 173 0.410 3.660 5.234 1.00 0.00 C ATOM 493 C LEU A 173 1.683 4.030 5.994 1.00 0.00 C ATOM 494 O LEU A 173 1.682 4.165 7.201 1.00 0.00 O ATOM 495 CB LEU A 173 0.504 2.210 4.753 1.00 0.00 C ATOM 496 CG LEU A 173 -0.892 1.696 4.401 1.00 0.00 C ATOM 497 CD1 LEU A 173 -0.823 0.859 3.123 1.00 0.00 C ATOM 498 CD2 LEU A 173 -1.417 0.828 5.548 1.00 0.00 C ATOM 0 H LEU A 173 0.118 4.106 3.167 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.457 3.763 5.887 1.00 0.00 H new ATOM 0 HB2 LEU A 173 1.156 2.147 3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 173 0.947 1.586 5.529 1.00 0.00 H new ATOM 0 HG LEU A 173 -1.561 2.542 4.245 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -1.819 0.493 2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -0.447 1.474 2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -0.154 0.013 3.278 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -2.413 0.460 5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -0.746 -0.017 5.702 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -1.467 1.422 6.460 1.00 0.00 H new ATOM 510 N GLY A 174 2.770 4.197 5.292 1.00 0.00 N ATOM 511 CA GLY A 174 4.046 4.564 5.972 1.00 0.00 C ATOM 512 C GLY A 174 5.228 3.990 5.191 1.00 0.00 C ATOM 513 O GLY A 174 5.068 3.134 4.345 1.00 0.00 O ATOM 0 H GLY A 174 2.831 4.096 4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 174 4.135 5.648 6.040 1.00 0.00 H new ATOM 0 HA3 GLY A 174 4.050 4.179 6.992 1.00 0.00 H new ATOM 517 N THR A 175 6.415 4.455 5.467 1.00 0.00 N ATOM 518 CA THR A 175 7.605 3.936 4.734 1.00 0.00 C ATOM 519 C THR A 175 7.995 2.568 5.294 1.00 0.00 C ATOM 520 O THR A 175 7.821 2.287 6.464 1.00 0.00 O ATOM 521 CB THR A 175 8.782 4.906 4.884 1.00 0.00 C ATOM 522 OG1 THR A 175 9.595 4.501 5.975 1.00 0.00 O ATOM 523 CG2 THR A 175 8.258 6.320 5.133 1.00 0.00 C ATOM 0 H THR A 175 6.613 5.170 6.167 1.00 0.00 H new ATOM 0 HA THR A 175 7.356 3.841 3.677 1.00 0.00 H new ATOM 0 HB THR A 175 9.373 4.898 3.968 1.00 0.00 H new ATOM 0 HG1 THR A 175 10.142 5.257 6.274 1.00 0.00 H new ATOM 0 HG21 THR A 175 9.098 7.006 5.239 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.639 6.632 4.292 1.00 0.00 H new ATOM 0 HG23 THR A 175 7.663 6.332 6.046 1.00 0.00 H new ATOM 531 N PHE A 176 8.521 1.713 4.462 1.00 0.00 N ATOM 532 CA PHE A 176 8.924 0.357 4.932 1.00 0.00 C ATOM 533 C PHE A 176 10.408 0.131 4.622 1.00 0.00 C ATOM 534 O PHE A 176 11.131 1.056 4.306 1.00 0.00 O ATOM 535 CB PHE A 176 8.079 -0.695 4.214 1.00 0.00 C ATOM 536 CG PHE A 176 6.694 -0.701 4.810 1.00 0.00 C ATOM 537 CD1 PHE A 176 5.780 0.301 4.462 1.00 0.00 C ATOM 538 CD2 PHE A 176 6.324 -1.702 5.718 1.00 0.00 C ATOM 539 CE1 PHE A 176 4.496 0.301 5.017 1.00 0.00 C ATOM 540 CE2 PHE A 176 5.038 -1.703 6.274 1.00 0.00 C ATOM 541 CZ PHE A 176 4.124 -0.701 5.924 1.00 0.00 C ATOM 0 H PHE A 176 8.690 1.895 3.473 1.00 0.00 H new ATOM 0 HA PHE A 176 8.766 0.276 6.007 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.029 -0.475 3.148 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.537 -1.679 4.315 1.00 0.00 H new ATOM 0 HD1 PHE A 176 6.067 1.074 3.765 1.00 0.00 H new ATOM 0 HD2 PHE A 176 7.030 -2.473 5.989 1.00 0.00 H new ATOM 0 HE1 PHE A 176 3.791 1.073 4.747 1.00 0.00 H new ATOM 0 HE2 PHE A 176 4.752 -2.476 6.972 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.133 -0.700 6.353 1.00 0.00 H new ATOM 551 N GLU A 177 10.870 -1.087 4.712 1.00 0.00 N ATOM 552 CA GLU A 177 12.308 -1.361 4.424 1.00 0.00 C ATOM 553 C GLU A 177 12.442 -2.035 3.055 1.00 0.00 C ATOM 554 O GLU A 177 13.458 -1.931 2.397 1.00 0.00 O ATOM 555 CB GLU A 177 12.877 -2.288 5.501 1.00 0.00 C ATOM 556 CG GLU A 177 14.381 -2.047 5.645 1.00 0.00 C ATOM 557 CD GLU A 177 15.066 -3.343 6.085 1.00 0.00 C ATOM 558 OE1 GLU A 177 14.776 -4.372 5.497 1.00 0.00 O ATOM 559 OE2 GLU A 177 15.868 -3.283 7.003 1.00 0.00 O ATOM 0 H GLU A 177 10.316 -1.903 4.972 1.00 0.00 H new ATOM 0 HA GLU A 177 12.859 -0.420 4.421 1.00 0.00 H new ATOM 0 HB2 GLU A 177 12.377 -2.106 6.452 1.00 0.00 H new ATOM 0 HB3 GLU A 177 12.689 -3.328 5.236 1.00 0.00 H new ATOM 0 HG2 GLU A 177 14.798 -1.707 4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 177 14.566 -1.259 6.376 1.00 0.00 H new ATOM 566 N THR A 178 11.425 -2.730 2.621 1.00 0.00 N ATOM 567 CA THR A 178 11.500 -3.412 1.296 1.00 0.00 C ATOM 568 C THR A 178 10.128 -3.376 0.624 1.00 0.00 C ATOM 569 O THR A 178 9.212 -2.731 1.093 1.00 0.00 O ATOM 570 CB THR A 178 11.929 -4.867 1.496 1.00 0.00 C ATOM 571 OG1 THR A 178 10.785 -5.659 1.782 1.00 0.00 O ATOM 572 CG2 THR A 178 12.917 -4.952 2.661 1.00 0.00 C ATOM 0 H THR A 178 10.547 -2.855 3.125 1.00 0.00 H new ATOM 0 HA THR A 178 12.227 -2.900 0.666 1.00 0.00 H new ATOM 0 HB THR A 178 12.409 -5.235 0.589 1.00 0.00 H new ATOM 0 HG1 THR A 178 10.799 -5.926 2.725 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.223 -5.988 2.804 1.00 0.00 H new ATOM 0 HG22 THR A 178 13.793 -4.342 2.440 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.440 -4.586 3.570 1.00 0.00 H new ATOM 580 N ALA A 179 9.981 -4.065 -0.476 1.00 0.00 N ATOM 581 CA ALA A 179 8.669 -4.069 -1.180 1.00 0.00 C ATOM 582 C ALA A 179 7.780 -5.170 -0.600 1.00 0.00 C ATOM 583 O ALA A 179 6.572 -5.121 -0.703 1.00 0.00 O ATOM 584 CB ALA A 179 8.889 -4.322 -2.673 1.00 0.00 C ATOM 0 H ALA A 179 10.712 -4.624 -0.916 1.00 0.00 H new ATOM 0 HA ALA A 179 8.183 -3.103 -1.045 1.00 0.00 H new ATOM 0 HB1 ALA A 179 7.928 -4.325 -3.187 1.00 0.00 H new ATOM 0 HB2 ALA A 179 9.519 -3.535 -3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 179 9.377 -5.287 -2.811 1.00 0.00 H new ATOM 590 N GLU A 180 8.364 -6.165 0.011 1.00 0.00 N ATOM 591 CA GLU A 180 7.541 -7.264 0.593 1.00 0.00 C ATOM 592 C GLU A 180 6.913 -6.792 1.905 1.00 0.00 C ATOM 593 O GLU A 180 5.792 -7.136 2.225 1.00 0.00 O ATOM 594 CB GLU A 180 8.426 -8.483 0.858 1.00 0.00 C ATOM 595 CG GLU A 180 7.563 -9.747 0.855 1.00 0.00 C ATOM 596 CD GLU A 180 8.438 -10.963 1.161 1.00 0.00 C ATOM 597 OE1 GLU A 180 8.600 -11.271 2.331 1.00 0.00 O ATOM 598 OE2 GLU A 180 8.932 -11.565 0.223 1.00 0.00 O ATOM 0 H GLU A 180 9.372 -6.265 0.132 1.00 0.00 H new ATOM 0 HA GLU A 180 6.753 -7.536 -0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.201 -8.556 0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 180 8.932 -8.377 1.817 1.00 0.00 H new ATOM 0 HG2 GLU A 180 6.770 -9.660 1.598 1.00 0.00 H new ATOM 0 HG3 GLU A 180 7.080 -9.868 -0.115 1.00 0.00 H new ATOM 605 N ASP A 181 7.622 -6.009 2.666 1.00 0.00 N ATOM 606 CA ASP A 181 7.066 -5.516 3.954 1.00 0.00 C ATOM 607 C ASP A 181 6.044 -4.413 3.672 1.00 0.00 C ATOM 608 O ASP A 181 4.921 -4.460 4.133 1.00 0.00 O ATOM 609 CB ASP A 181 8.198 -4.957 4.818 1.00 0.00 C ATOM 610 CG ASP A 181 9.497 -5.708 4.517 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.492 -6.925 4.617 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.474 -5.055 4.192 1.00 0.00 O ATOM 0 H ASP A 181 8.566 -5.688 2.451 1.00 0.00 H new ATOM 0 HA ASP A 181 6.581 -6.337 4.482 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.328 -3.893 4.620 1.00 0.00 H new ATOM 0 HB3 ASP A 181 7.946 -5.056 5.874 1.00 0.00 H new ATOM 617 N ALA A 182 6.423 -3.423 2.911 1.00 0.00 N ATOM 618 CA ALA A 182 5.471 -2.322 2.594 1.00 0.00 C ATOM 619 C ALA A 182 4.281 -2.894 1.821 1.00 0.00 C ATOM 620 O ALA A 182 3.157 -2.455 1.972 1.00 0.00 O ATOM 621 CB ALA A 182 6.178 -1.270 1.737 1.00 0.00 C ATOM 0 H ALA A 182 7.350 -3.329 2.496 1.00 0.00 H new ATOM 0 HA ALA A 182 5.121 -1.861 3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.483 -0.463 1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 182 7.030 -0.868 2.284 1.00 0.00 H new ATOM 0 HB3 ALA A 182 6.525 -1.728 0.811 1.00 0.00 H new ATOM 627 N ALA A 183 4.520 -3.876 0.998 1.00 0.00 N ATOM 628 CA ALA A 183 3.410 -4.486 0.214 1.00 0.00 C ATOM 629 C ALA A 183 2.479 -5.242 1.161 1.00 0.00 C ATOM 630 O ALA A 183 1.270 -5.148 1.067 1.00 0.00 O ATOM 631 CB ALA A 183 3.993 -5.461 -0.810 1.00 0.00 C ATOM 0 H ALA A 183 5.440 -4.284 0.834 1.00 0.00 H new ATOM 0 HA ALA A 183 2.851 -3.705 -0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.184 -5.910 -1.386 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.663 -4.925 -1.482 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.548 -6.244 -0.292 1.00 0.00 H new ATOM 637 N LEU A 184 3.038 -5.990 2.073 1.00 0.00 N ATOM 638 CA LEU A 184 2.203 -6.760 3.038 1.00 0.00 C ATOM 639 C LEU A 184 1.312 -5.796 3.820 1.00 0.00 C ATOM 640 O LEU A 184 0.167 -6.085 4.107 1.00 0.00 O ATOM 641 CB LEU A 184 3.116 -7.516 4.004 1.00 0.00 C ATOM 642 CG LEU A 184 2.399 -8.767 4.511 1.00 0.00 C ATOM 643 CD1 LEU A 184 1.136 -8.363 5.273 1.00 0.00 C ATOM 644 CD2 LEU A 184 2.017 -9.653 3.323 1.00 0.00 C ATOM 0 H LEU A 184 4.045 -6.101 2.192 1.00 0.00 H new ATOM 0 HA LEU A 184 1.578 -7.471 2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 184 4.043 -7.794 3.503 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.387 -6.874 4.842 1.00 0.00 H new ATOM 0 HG LEU A 184 3.062 -9.318 5.178 1.00 0.00 H new ATOM 0 HD11 LEU A 184 0.627 -9.257 5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 184 1.408 -7.734 6.121 1.00 0.00 H new ATOM 0 HD13 LEU A 184 0.472 -7.810 4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 184 1.506 -10.545 3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 184 1.356 -9.101 2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 184 2.917 -9.945 2.782 1.00 0.00 H new ATOM 656 N ALA A 185 1.827 -4.649 4.163 1.00 0.00 N ATOM 657 CA ALA A 185 1.008 -3.662 4.920 1.00 0.00 C ATOM 658 C ALA A 185 -0.048 -3.072 3.987 1.00 0.00 C ATOM 659 O ALA A 185 -1.113 -2.669 4.409 1.00 0.00 O ATOM 660 CB ALA A 185 1.912 -2.544 5.444 1.00 0.00 C ATOM 0 H ALA A 185 2.780 -4.352 3.952 1.00 0.00 H new ATOM 0 HA ALA A 185 0.521 -4.154 5.762 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.313 -1.821 5.998 1.00 0.00 H new ATOM 0 HB2 ALA A 185 2.670 -2.968 6.102 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.398 -2.045 4.605 1.00 0.00 H new ATOM 666 N TYR A 186 0.242 -3.024 2.716 1.00 0.00 N ATOM 667 CA TYR A 186 -0.735 -2.467 1.740 1.00 0.00 C ATOM 668 C TYR A 186 -1.914 -3.431 1.592 1.00 0.00 C ATOM 669 O TYR A 186 -3.025 -3.029 1.314 1.00 0.00 O ATOM 670 CB TYR A 186 -0.050 -2.304 0.382 1.00 0.00 C ATOM 671 CG TYR A 186 -1.081 -1.973 -0.670 1.00 0.00 C ATOM 672 CD1 TYR A 186 -1.923 -2.978 -1.164 1.00 0.00 C ATOM 673 CD2 TYR A 186 -1.194 -0.664 -1.150 1.00 0.00 C ATOM 674 CE1 TYR A 186 -2.881 -2.671 -2.138 1.00 0.00 C ATOM 675 CE2 TYR A 186 -2.152 -0.357 -2.126 1.00 0.00 C ATOM 676 CZ TYR A 186 -2.996 -1.362 -2.621 1.00 0.00 C ATOM 677 OH TYR A 186 -3.941 -1.058 -3.580 1.00 0.00 O ATOM 0 H TYR A 186 1.119 -3.349 2.310 1.00 0.00 H new ATOM 0 HA TYR A 186 -1.094 -1.501 2.094 1.00 0.00 H new ATOM 0 HB2 TYR A 186 0.698 -1.513 0.434 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.474 -3.222 0.116 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -1.833 -3.989 -0.794 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.544 0.109 -0.769 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -3.532 -3.445 -2.517 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -2.240 0.653 -2.497 1.00 0.00 H new ATOM 0 HH TYR A 186 -3.886 -0.105 -3.802 1.00 0.00 H new ATOM 687 N ASP A 187 -1.674 -4.701 1.763 1.00 0.00 N ATOM 688 CA ASP A 187 -2.766 -5.700 1.624 1.00 0.00 C ATOM 689 C ASP A 187 -3.722 -5.596 2.812 1.00 0.00 C ATOM 690 O ASP A 187 -4.924 -5.672 2.665 1.00 0.00 O ATOM 691 CB ASP A 187 -2.153 -7.098 1.594 1.00 0.00 C ATOM 692 CG ASP A 187 -1.345 -7.279 0.308 1.00 0.00 C ATOM 693 OD1 ASP A 187 -1.539 -6.496 -0.607 1.00 0.00 O ATOM 694 OD2 ASP A 187 -0.542 -8.196 0.263 1.00 0.00 O ATOM 0 H ASP A 187 -0.760 -5.091 1.995 1.00 0.00 H new ATOM 0 HA ASP A 187 -3.318 -5.510 0.704 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.510 -7.242 2.462 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -2.939 -7.851 1.650 1.00 0.00 H new ATOM 699 N ARG A 188 -3.193 -5.436 3.989 1.00 0.00 N ATOM 700 CA ARG A 188 -4.063 -5.340 5.195 1.00 0.00 C ATOM 701 C ARG A 188 -4.838 -4.021 5.180 1.00 0.00 C ATOM 702 O ARG A 188 -5.964 -3.950 5.631 1.00 0.00 O ATOM 703 CB ARG A 188 -3.195 -5.407 6.453 1.00 0.00 C ATOM 704 CG ARG A 188 -3.920 -6.214 7.532 1.00 0.00 C ATOM 705 CD ARG A 188 -3.088 -7.443 7.900 1.00 0.00 C ATOM 706 NE ARG A 188 -3.066 -7.601 9.382 1.00 0.00 N ATOM 707 CZ ARG A 188 -2.362 -8.554 9.926 1.00 0.00 C ATOM 708 NH1 ARG A 188 -1.233 -8.919 9.384 1.00 0.00 N ATOM 709 NH2 ARG A 188 -2.788 -9.142 11.010 1.00 0.00 N ATOM 0 H ARG A 188 -2.192 -5.367 4.171 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.771 -6.168 5.192 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -2.236 -5.870 6.221 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -2.985 -4.401 6.816 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -4.083 -5.596 8.415 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -4.902 -6.522 7.172 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -3.510 -8.334 7.435 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -2.072 -7.335 7.520 1.00 0.00 H new ATOM 0 HE ARG A 188 -3.602 -6.963 9.971 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -0.902 -8.459 8.536 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -0.681 -9.664 9.808 1.00 0.00 H new ATOM 0 HH21 ARG A 188 -3.672 -8.856 11.432 1.00 0.00 H new ATOM 0 HH22 ARG A 188 -2.237 -9.888 11.436 1.00 0.00 H new ATOM 723 N ALA A 189 -4.248 -2.975 4.672 1.00 0.00 N ATOM 724 CA ALA A 189 -4.958 -1.665 4.641 1.00 0.00 C ATOM 725 C ALA A 189 -5.924 -1.628 3.455 1.00 0.00 C ATOM 726 O ALA A 189 -6.938 -0.963 3.490 1.00 0.00 O ATOM 727 CB ALA A 189 -3.938 -0.534 4.504 1.00 0.00 C ATOM 0 H ALA A 189 -3.307 -2.970 4.278 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.520 -1.539 5.567 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.458 0.424 4.481 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -3.254 -0.556 5.353 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.374 -0.663 3.580 1.00 0.00 H new ATOM 733 N ALA A 190 -5.617 -2.335 2.404 1.00 0.00 N ATOM 734 CA ALA A 190 -6.518 -2.336 1.218 1.00 0.00 C ATOM 735 C ALA A 190 -7.661 -3.325 1.450 1.00 0.00 C ATOM 736 O ALA A 190 -8.727 -3.199 0.884 1.00 0.00 O ATOM 737 CB ALA A 190 -5.727 -2.750 -0.025 1.00 0.00 C ATOM 0 H ALA A 190 -4.781 -2.912 2.315 1.00 0.00 H new ATOM 0 HA ALA A 190 -6.926 -1.336 1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -6.387 -2.751 -0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -4.912 -2.045 -0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -5.318 -3.750 0.120 1.00 0.00 H new ATOM 743 N PHE A 191 -7.447 -4.307 2.281 1.00 0.00 N ATOM 744 CA PHE A 191 -8.520 -5.302 2.553 1.00 0.00 C ATOM 745 C PHE A 191 -9.493 -4.728 3.585 1.00 0.00 C ATOM 746 O PHE A 191 -10.655 -5.081 3.623 1.00 0.00 O ATOM 747 CB PHE A 191 -7.893 -6.588 3.097 1.00 0.00 C ATOM 748 CG PHE A 191 -8.662 -7.783 2.590 1.00 0.00 C ATOM 749 CD1 PHE A 191 -8.394 -8.300 1.315 1.00 0.00 C ATOM 750 CD2 PHE A 191 -9.642 -8.377 3.396 1.00 0.00 C ATOM 751 CE1 PHE A 191 -9.107 -9.412 0.848 1.00 0.00 C ATOM 752 CE2 PHE A 191 -10.355 -9.488 2.928 1.00 0.00 C ATOM 753 CZ PHE A 191 -10.087 -10.006 1.653 1.00 0.00 C ATOM 0 H PHE A 191 -6.573 -4.463 2.784 1.00 0.00 H new ATOM 0 HA PHE A 191 -9.058 -5.523 1.631 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -6.851 -6.656 2.786 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -7.900 -6.575 4.187 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -7.639 -7.842 0.693 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -9.848 -7.978 4.378 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -8.901 -9.812 -0.134 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -11.111 -9.945 3.549 1.00 0.00 H new ATOM 0 HZ PHE A 191 -10.636 -10.863 1.292 1.00 0.00 H new ATOM 763 N ARG A 192 -9.027 -3.840 4.419 1.00 0.00 N ATOM 764 CA ARG A 192 -9.922 -3.236 5.444 1.00 0.00 C ATOM 765 C ARG A 192 -10.820 -2.197 4.775 1.00 0.00 C ATOM 766 O ARG A 192 -12.012 -2.145 5.004 1.00 0.00 O ATOM 767 CB ARG A 192 -9.073 -2.550 6.516 1.00 0.00 C ATOM 768 CG ARG A 192 -8.778 -3.536 7.649 1.00 0.00 C ATOM 769 CD ARG A 192 -9.342 -2.988 8.961 1.00 0.00 C ATOM 770 NE ARG A 192 -8.443 -1.922 9.484 1.00 0.00 N ATOM 771 CZ ARG A 192 -8.724 -0.667 9.265 1.00 0.00 C ATOM 772 NH1 ARG A 192 -9.581 -0.047 10.028 1.00 0.00 N ATOM 773 NH2 ARG A 192 -8.148 -0.030 8.282 1.00 0.00 N ATOM 0 H ARG A 192 -8.063 -3.506 4.434 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.533 -4.014 5.902 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -8.140 -2.192 6.081 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -9.598 -1.678 6.907 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -9.223 -4.506 7.426 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -7.703 -3.691 7.740 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -10.343 -2.587 8.799 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -9.435 -3.791 9.692 1.00 0.00 H new ATOM 0 HE ARG A 192 -7.608 -2.173 10.013 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -10.032 -0.543 10.797 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -9.800 0.934 9.856 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -7.478 -0.513 7.684 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -8.368 0.951 8.112 1.00 0.00 H new ATOM 787 N MET A 193 -10.248 -1.369 3.952 1.00 0.00 N ATOM 788 CA MET A 193 -11.050 -0.322 3.261 1.00 0.00 C ATOM 789 C MET A 193 -11.941 -0.965 2.194 1.00 0.00 C ATOM 790 O MET A 193 -13.049 -0.528 1.956 1.00 0.00 O ATOM 791 CB MET A 193 -10.108 0.683 2.599 1.00 0.00 C ATOM 792 CG MET A 193 -10.861 1.992 2.343 1.00 0.00 C ATOM 793 SD MET A 193 -10.031 3.350 3.205 1.00 0.00 S ATOM 794 CE MET A 193 -8.350 2.977 2.652 1.00 0.00 C ATOM 0 H MET A 193 -9.253 -1.371 3.726 1.00 0.00 H new ATOM 0 HA MET A 193 -11.679 0.188 3.991 1.00 0.00 H new ATOM 0 HB2 MET A 193 -9.245 0.866 3.239 1.00 0.00 H new ATOM 0 HB3 MET A 193 -9.729 0.279 1.660 1.00 0.00 H new ATOM 0 HG2 MET A 193 -10.900 2.197 1.273 1.00 0.00 H new ATOM 0 HG3 MET A 193 -11.891 1.904 2.689 1.00 0.00 H new ATOM 0 HE1 MET A 193 -7.778 2.560 3.481 1.00 0.00 H new ATOM 0 HE2 MET A 193 -8.387 2.255 1.837 1.00 0.00 H new ATOM 0 HE3 MET A 193 -7.870 3.892 2.305 1.00 0.00 H new ATOM 804 N ARG A 194 -11.468 -1.995 1.548 1.00 0.00 N ATOM 805 CA ARG A 194 -12.298 -2.654 0.498 1.00 0.00 C ATOM 806 C ARG A 194 -13.055 -3.836 1.110 1.00 0.00 C ATOM 807 O ARG A 194 -13.905 -4.433 0.480 1.00 0.00 O ATOM 808 CB ARG A 194 -11.399 -3.151 -0.636 1.00 0.00 C ATOM 809 CG ARG A 194 -11.162 -2.016 -1.634 1.00 0.00 C ATOM 810 CD ARG A 194 -10.279 -0.943 -0.992 1.00 0.00 C ATOM 811 NE ARG A 194 -9.698 -0.077 -2.057 1.00 0.00 N ATOM 812 CZ ARG A 194 -10.061 1.173 -2.152 1.00 0.00 C ATOM 813 NH1 ARG A 194 -9.429 2.091 -1.471 1.00 0.00 N ATOM 814 NH2 ARG A 194 -11.057 1.507 -2.928 1.00 0.00 N ATOM 0 H ARG A 194 -10.548 -2.408 1.700 1.00 0.00 H new ATOM 0 HA ARG A 194 -13.012 -1.934 0.099 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -10.448 -3.500 -0.234 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -11.864 -4.000 -1.138 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -10.684 -2.403 -2.534 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -12.114 -1.582 -1.940 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -10.866 -0.341 -0.298 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -9.482 -1.410 -0.413 1.00 0.00 H new ATOM 0 HE ARG A 194 -9.017 -0.461 -2.712 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -8.651 1.831 -0.864 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -9.713 3.068 -1.546 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -11.551 0.791 -3.460 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -11.340 2.484 -3.002 1.00 0.00 H new ATOM 828 N GLY A 195 -12.756 -4.174 2.334 1.00 0.00 N ATOM 829 CA GLY A 195 -13.462 -5.313 2.986 1.00 0.00 C ATOM 830 C GLY A 195 -13.064 -6.627 2.311 1.00 0.00 C ATOM 831 O GLY A 195 -12.147 -7.301 2.736 1.00 0.00 O ATOM 0 H GLY A 195 -12.054 -3.711 2.911 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -13.212 -5.348 4.046 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -14.541 -5.171 2.918 1.00 0.00 H new ATOM 835 N SER A 196 -13.751 -6.999 1.266 1.00 0.00 N ATOM 836 CA SER A 196 -13.416 -8.273 0.568 1.00 0.00 C ATOM 837 C SER A 196 -12.297 -8.026 -0.449 1.00 0.00 C ATOM 838 O SER A 196 -11.422 -7.213 -0.231 1.00 0.00 O ATOM 839 CB SER A 196 -14.661 -8.796 -0.151 1.00 0.00 C ATOM 840 OG SER A 196 -14.508 -10.187 -0.398 1.00 0.00 O ATOM 0 H SER A 196 -14.530 -6.476 0.865 1.00 0.00 H new ATOM 0 HA SER A 196 -13.079 -9.011 1.296 1.00 0.00 H new ATOM 0 HB2 SER A 196 -15.548 -8.618 0.457 1.00 0.00 H new ATOM 0 HB3 SER A 196 -14.805 -8.261 -1.090 1.00 0.00 H new ATOM 0 HG SER A 196 -15.304 -10.527 -0.857 1.00 0.00 H new ATOM 846 N ARG A 197 -12.319 -8.731 -1.552 1.00 0.00 N ATOM 847 CA ARG A 197 -11.259 -8.552 -2.590 1.00 0.00 C ATOM 848 C ARG A 197 -10.887 -7.073 -2.709 1.00 0.00 C ATOM 849 O ARG A 197 -11.732 -6.203 -2.656 1.00 0.00 O ATOM 850 CB ARG A 197 -11.782 -9.042 -3.941 1.00 0.00 C ATOM 851 CG ARG A 197 -11.538 -10.546 -4.075 1.00 0.00 C ATOM 852 CD ARG A 197 -12.100 -11.032 -5.411 1.00 0.00 C ATOM 853 NE ARG A 197 -13.490 -10.519 -5.578 1.00 0.00 N ATOM 854 CZ ARG A 197 -13.893 -10.091 -6.743 1.00 0.00 C ATOM 855 NH1 ARG A 197 -13.431 -10.637 -7.834 1.00 0.00 N ATOM 856 NH2 ARG A 197 -14.760 -9.118 -6.815 1.00 0.00 N ATOM 0 H ARG A 197 -13.030 -9.427 -1.779 1.00 0.00 H new ATOM 0 HA ARG A 197 -10.379 -9.126 -2.300 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -12.847 -8.828 -4.029 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -11.282 -8.509 -4.750 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -10.471 -10.759 -4.017 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -12.015 -11.078 -3.252 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -11.471 -10.685 -6.231 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -12.096 -12.121 -5.445 1.00 0.00 H new ATOM 0 HE ARG A 197 -14.126 -10.503 -4.781 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -12.755 -11.398 -7.776 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -13.746 -10.302 -8.745 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -15.122 -8.693 -5.961 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -15.076 -8.783 -7.725 1.00 0.00 H new ATOM 870 N ALA A 198 -9.626 -6.785 -2.878 1.00 0.00 N ATOM 871 CA ALA A 198 -9.195 -5.366 -3.011 1.00 0.00 C ATOM 872 C ALA A 198 -7.856 -5.318 -3.741 1.00 0.00 C ATOM 873 O ALA A 198 -7.030 -4.462 -3.496 1.00 0.00 O ATOM 874 CB ALA A 198 -9.045 -4.739 -1.624 1.00 0.00 C ATOM 0 H ALA A 198 -8.875 -7.473 -2.930 1.00 0.00 H new ATOM 0 HA ALA A 198 -9.943 -4.809 -3.575 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -8.729 -3.701 -1.726 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -10.001 -4.778 -1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -8.297 -5.291 -1.054 1.00 0.00 H new ATOM 880 N LEU A 199 -7.644 -6.234 -4.640 1.00 0.00 N ATOM 881 CA LEU A 199 -6.364 -6.261 -5.400 1.00 0.00 C ATOM 882 C LEU A 199 -5.198 -5.971 -4.454 1.00 0.00 C ATOM 883 O LEU A 199 -4.841 -4.831 -4.227 1.00 0.00 O ATOM 884 CB LEU A 199 -6.401 -5.200 -6.501 1.00 0.00 C ATOM 885 CG LEU A 199 -6.786 -5.852 -7.829 1.00 0.00 C ATOM 886 CD1 LEU A 199 -6.808 -4.790 -8.928 1.00 0.00 C ATOM 887 CD2 LEU A 199 -5.760 -6.932 -8.183 1.00 0.00 C ATOM 0 H LEU A 199 -8.306 -6.971 -4.884 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.231 -7.246 -5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.119 -4.421 -6.245 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -5.427 -4.719 -6.589 1.00 0.00 H new ATOM 0 HG LEU A 199 -7.774 -6.305 -7.740 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -7.082 -5.253 -9.876 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -7.537 -4.020 -8.676 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -5.820 -4.338 -9.017 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -6.034 -7.398 -9.130 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -4.772 -6.480 -8.273 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -5.743 -7.688 -7.398 1.00 0.00 H new ATOM 899 N LEU A 200 -4.599 -6.989 -3.904 1.00 0.00 N ATOM 900 CA LEU A 200 -3.452 -6.763 -2.978 1.00 0.00 C ATOM 901 C LEU A 200 -2.216 -7.465 -3.530 1.00 0.00 C ATOM 902 O LEU A 200 -2.300 -8.537 -4.098 1.00 0.00 O ATOM 903 CB LEU A 200 -3.759 -7.322 -1.578 1.00 0.00 C ATOM 904 CG LEU A 200 -5.193 -7.846 -1.507 1.00 0.00 C ATOM 905 CD1 LEU A 200 -5.331 -8.773 -0.299 1.00 0.00 C ATOM 906 CD2 LEU A 200 -6.152 -6.666 -1.353 1.00 0.00 C ATOM 0 H LEU A 200 -4.852 -7.966 -4.054 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.278 -5.690 -2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -3.061 -8.125 -1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.614 -6.542 -0.830 1.00 0.00 H new ATOM 0 HG LEU A 200 -5.431 -8.395 -2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -6.352 -9.149 -0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -4.641 -9.610 -0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -5.098 -8.221 0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -7.177 -7.034 -1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.916 -6.122 -0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -6.048 -5.999 -2.209 1.00 0.00 H new ATOM 918 N ASN A 201 -1.065 -6.876 -3.364 1.00 0.00 N ATOM 919 CA ASN A 201 0.177 -7.529 -3.877 1.00 0.00 C ATOM 920 C ASN A 201 0.140 -8.999 -3.472 1.00 0.00 C ATOM 921 O ASN A 201 0.603 -9.868 -4.183 1.00 0.00 O ATOM 922 CB ASN A 201 1.428 -6.882 -3.264 1.00 0.00 C ATOM 923 CG ASN A 201 1.140 -5.440 -2.850 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.167 -5.130 -1.586 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 0.886 -4.592 -3.683 1.00 0.00 N flip ATOM 0 H ASN A 201 -0.928 -5.978 -2.900 1.00 0.00 H new ATOM 0 HA ASN A 201 0.221 -7.416 -4.960 1.00 0.00 H new ATOM 0 HB2 ASN A 201 1.753 -7.457 -2.397 1.00 0.00 H new ATOM 0 HB3 ASN A 201 2.245 -6.903 -3.985 1.00 0.00 H new ATOM 0 HD21 ASN A 201 0.866 -4.839 -4.672 1.00 0.00 H new ATOM 0 HD22 ASN A 201 0.693 -3.633 -3.393 1.00 0.00 H new ATOM 932 N PHE A 202 -0.422 -9.272 -2.327 1.00 0.00 N ATOM 933 CA PHE A 202 -0.516 -10.676 -1.844 1.00 0.00 C ATOM 934 C PHE A 202 -1.935 -10.926 -1.326 1.00 0.00 C ATOM 935 O PHE A 202 -2.204 -10.747 -0.154 1.00 0.00 O ATOM 936 CB PHE A 202 0.483 -10.897 -0.704 1.00 0.00 C ATOM 937 CG PHE A 202 1.710 -10.043 -0.916 1.00 0.00 C ATOM 938 CD1 PHE A 202 2.393 -10.085 -2.137 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.172 -9.217 0.117 1.00 0.00 C ATOM 940 CE1 PHE A 202 3.538 -9.301 -2.327 1.00 0.00 C ATOM 941 CE2 PHE A 202 3.317 -8.434 -0.071 1.00 0.00 C ATOM 942 CZ PHE A 202 4.000 -8.475 -1.293 1.00 0.00 C ATOM 0 H PHE A 202 -0.824 -8.575 -1.700 1.00 0.00 H new ATOM 0 HA PHE A 202 -0.288 -11.361 -2.660 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.018 -10.649 0.250 1.00 0.00 H new ATOM 0 HB3 PHE A 202 0.766 -11.949 -0.657 1.00 0.00 H new ATOM 0 HD1 PHE A 202 2.037 -10.722 -2.933 1.00 0.00 H new ATOM 0 HD2 PHE A 202 1.644 -9.184 1.059 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.065 -9.333 -3.269 1.00 0.00 H new ATOM 0 HE2 PHE A 202 3.674 -7.798 0.726 1.00 0.00 H new ATOM 0 HZ PHE A 202 4.883 -7.870 -1.439 1.00 0.00 H new ATOM 952 N PRO A 203 -2.803 -11.328 -2.218 1.00 0.00 N ATOM 953 CA PRO A 203 -4.211 -11.608 -1.885 1.00 0.00 C ATOM 954 C PRO A 203 -4.336 -12.955 -1.169 1.00 0.00 C ATOM 955 O PRO A 203 -4.762 -13.938 -1.742 1.00 0.00 O ATOM 956 CB PRO A 203 -4.904 -11.642 -3.250 1.00 0.00 C ATOM 957 CG PRO A 203 -3.799 -11.939 -4.292 1.00 0.00 C ATOM 958 CD PRO A 203 -2.462 -11.544 -3.639 1.00 0.00 C ATOM 0 HA PRO A 203 -4.647 -10.870 -1.212 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -5.677 -12.410 -3.274 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -5.392 -10.691 -3.462 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -3.799 -12.994 -4.567 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -3.966 -11.371 -5.207 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -1.715 -12.329 -3.754 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -2.049 -10.642 -4.091 1.00 0.00 H new