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 180:sc= 0 USER MOD Single : A 151 GLN : amide:sc= 0 K(o=0,f=-1.2!) 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 X(o=0,f=0) USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 180:sc= -0.647 USER MOD Single : A 186 TYR OH : rot 30:sc= -0.209 USER MOD Single : A 193 MET CE :methyl -170:sc= -1.21 (180deg=-2.01) USER MOD Single : A 196 SER OG : rot 180:sc= 0.0391 USER MOD Single : A 201 ASN :FLIP amide:sc= -7.87! C(o=-13!,f=-7.9!) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.647 -3.181 -6.543 1.00 0.00 N ATOM 41 CA TYR A 146 4.276 -3.479 -6.041 1.00 0.00 C ATOM 42 C TYR A 146 3.342 -2.316 -6.383 1.00 0.00 C ATOM 43 O TYR A 146 3.767 -1.185 -6.517 1.00 0.00 O ATOM 44 CB TYR A 146 4.320 -3.670 -4.523 1.00 0.00 C ATOM 45 CG TYR A 146 5.118 -4.905 -4.193 1.00 0.00 C ATOM 46 CD1 TYR A 146 4.953 -6.067 -4.958 1.00 0.00 C ATOM 47 CD2 TYR A 146 6.015 -4.895 -3.119 1.00 0.00 C ATOM 48 CE1 TYR A 146 5.688 -7.218 -4.650 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.749 -6.047 -2.809 1.00 0.00 C ATOM 50 CZ TYR A 146 6.586 -7.209 -3.575 1.00 0.00 C ATOM 51 OH TYR A 146 7.309 -8.344 -3.270 1.00 0.00 O ATOM 0 HA TYR A 146 3.907 -4.390 -6.512 1.00 0.00 H new ATOM 0 HB2 TYR A 146 4.769 -2.797 -4.049 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.308 -3.762 -4.128 1.00 0.00 H new ATOM 0 HD1 TYR A 146 4.259 -6.075 -5.785 1.00 0.00 H new ATOM 0 HD2 TYR A 146 6.141 -3.999 -2.529 1.00 0.00 H new ATOM 0 HE1 TYR A 146 5.563 -8.113 -5.241 1.00 0.00 H new ATOM 0 HE2 TYR A 146 7.441 -6.040 -1.980 1.00 0.00 H new ATOM 0 HH TYR A 146 7.885 -8.167 -2.497 1.00 0.00 H new ATOM 61 N ARG A 147 2.073 -2.584 -6.526 1.00 0.00 N ATOM 62 CA ARG A 147 1.114 -1.494 -6.864 1.00 0.00 C ATOM 63 C ARG A 147 0.775 -0.697 -5.603 1.00 0.00 C ATOM 64 O ARG A 147 -0.212 -0.955 -4.941 1.00 0.00 O ATOM 65 CB ARG A 147 -0.167 -2.101 -7.440 1.00 0.00 C ATOM 66 CG ARG A 147 0.165 -2.889 -8.709 1.00 0.00 C ATOM 67 CD ARG A 147 -0.302 -2.102 -9.934 1.00 0.00 C ATOM 68 NE ARG A 147 0.811 -2.015 -10.923 1.00 0.00 N ATOM 69 CZ ARG A 147 0.858 -1.018 -11.765 1.00 0.00 C ATOM 70 NH1 ARG A 147 -0.191 -0.724 -12.485 1.00 0.00 N ATOM 71 NH2 ARG A 147 1.952 -0.319 -11.890 1.00 0.00 N ATOM 0 H ARG A 147 1.659 -3.510 -6.423 1.00 0.00 H new ATOM 0 HA ARG A 147 1.568 -0.831 -7.601 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.634 -2.756 -6.705 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.885 -1.313 -7.666 1.00 0.00 H new ATOM 0 HG2 ARG A 147 1.238 -3.070 -8.767 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.322 -3.864 -8.682 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -1.166 -2.590 -10.385 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -0.619 -1.102 -9.638 1.00 0.00 H new ATOM 0 HE ARG A 147 1.535 -2.734 -10.942 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -1.045 -1.273 -12.389 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -0.156 0.054 -13.143 1.00 0.00 H new ATOM 0 HH21 ARG A 147 2.772 -0.551 -11.330 1.00 0.00 H new ATOM 0 HH22 ARG A 147 1.987 0.460 -12.548 1.00 0.00 H new ATOM 85 N GLY A 148 1.579 0.273 -5.265 1.00 0.00 N ATOM 86 CA GLY A 148 1.292 1.086 -4.050 1.00 0.00 C ATOM 87 C GLY A 148 2.569 1.255 -3.225 1.00 0.00 C ATOM 88 O GLY A 148 2.645 2.094 -2.351 1.00 0.00 O ATOM 0 H GLY A 148 2.421 0.537 -5.777 1.00 0.00 H new ATOM 0 HA2 GLY A 148 0.903 2.062 -4.338 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.522 0.601 -3.450 1.00 0.00 H new ATOM 92 N VAL A 149 3.573 0.467 -3.492 1.00 0.00 N ATOM 93 CA VAL A 149 4.839 0.591 -2.714 1.00 0.00 C ATOM 94 C VAL A 149 5.861 1.396 -3.519 1.00 0.00 C ATOM 95 O VAL A 149 6.243 1.020 -4.608 1.00 0.00 O ATOM 96 CB VAL A 149 5.402 -0.801 -2.426 1.00 0.00 C ATOM 97 CG1 VAL A 149 6.632 -0.680 -1.524 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.337 -1.644 -1.723 1.00 0.00 C ATOM 0 H VAL A 149 3.573 -0.255 -4.212 1.00 0.00 H new ATOM 0 HA VAL A 149 4.634 1.102 -1.773 1.00 0.00 H new ATOM 0 HB VAL A 149 5.686 -1.279 -3.364 1.00 0.00 H new ATOM 0 HG11 VAL A 149 7.032 -1.673 -1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.392 -0.078 -2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.350 -0.202 -0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 149 4.737 -2.637 -1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 149 4.054 -1.165 -0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.460 -1.732 -2.365 1.00 0.00 H new ATOM 108 N ARG A 150 6.310 2.498 -2.987 1.00 0.00 N ATOM 109 CA ARG A 150 7.312 3.323 -3.719 1.00 0.00 C ATOM 110 C ARG A 150 8.716 2.928 -3.262 1.00 0.00 C ATOM 111 O ARG A 150 9.084 3.120 -2.121 1.00 0.00 O ATOM 112 CB ARG A 150 7.074 4.804 -3.416 1.00 0.00 C ATOM 113 CG ARG A 150 5.786 5.266 -4.100 1.00 0.00 C ATOM 114 CD ARG A 150 6.113 5.810 -5.492 1.00 0.00 C ATOM 115 NE ARG A 150 5.772 7.260 -5.553 1.00 0.00 N ATOM 116 CZ ARG A 150 6.635 8.115 -6.029 1.00 0.00 C ATOM 117 NH1 ARG A 150 7.026 8.024 -7.271 1.00 0.00 N ATOM 118 NH2 ARG A 150 7.105 9.062 -5.264 1.00 0.00 N ATOM 0 H ARG A 150 6.027 2.863 -2.078 1.00 0.00 H new ATOM 0 HA ARG A 150 7.214 3.154 -4.791 1.00 0.00 H new ATOM 0 HB2 ARG A 150 7.002 4.959 -2.339 1.00 0.00 H new ATOM 0 HB3 ARG A 150 7.918 5.398 -3.767 1.00 0.00 H new ATOM 0 HG2 ARG A 150 5.085 4.435 -4.178 1.00 0.00 H new ATOM 0 HG3 ARG A 150 5.300 6.037 -3.502 1.00 0.00 H new ATOM 0 HD2 ARG A 150 7.171 5.665 -5.711 1.00 0.00 H new ATOM 0 HD3 ARG A 150 5.552 5.262 -6.249 1.00 0.00 H new ATOM 0 HE ARG A 150 4.863 7.584 -5.222 1.00 0.00 H new ATOM 0 HH11 ARG A 150 6.657 7.285 -7.869 1.00 0.00 H new ATOM 0 HH12 ARG A 150 7.701 8.692 -7.644 1.00 0.00 H new ATOM 0 HH21 ARG A 150 6.798 9.134 -4.294 1.00 0.00 H new ATOM 0 HH22 ARG A 150 7.780 9.730 -5.636 1.00 0.00 H new ATOM 132 N GLN A 151 9.503 2.372 -4.142 1.00 0.00 N ATOM 133 CA GLN A 151 10.882 1.963 -3.750 1.00 0.00 C ATOM 134 C GLN A 151 11.848 3.126 -3.988 1.00 0.00 C ATOM 135 O GLN A 151 11.765 3.826 -4.978 1.00 0.00 O ATOM 136 CB GLN A 151 11.317 0.754 -4.581 1.00 0.00 C ATOM 137 CG GLN A 151 10.867 0.937 -6.032 1.00 0.00 C ATOM 138 CD GLN A 151 11.735 0.073 -6.950 1.00 0.00 C ATOM 139 OE1 GLN A 151 12.450 -0.794 -6.488 1.00 0.00 O ATOM 140 NE2 GLN A 151 11.702 0.276 -8.238 1.00 0.00 N ATOM 0 H GLN A 151 9.252 2.184 -5.113 1.00 0.00 H new ATOM 0 HA GLN A 151 10.892 1.695 -2.694 1.00 0.00 H new ATOM 0 HB2 GLN A 151 12.400 0.641 -4.537 1.00 0.00 H new ATOM 0 HB3 GLN A 151 10.885 -0.158 -4.168 1.00 0.00 H new ATOM 0 HG2 GLN A 151 9.819 0.657 -6.137 1.00 0.00 H new ATOM 0 HG3 GLN A 151 10.947 1.985 -6.319 1.00 0.00 H new ATOM 0 HE21 GLN A 151 11.101 1.004 -8.624 1.00 0.00 H new ATOM 0 HE22 GLN A 151 12.277 -0.293 -8.859 1.00 0.00 H new ATOM 149 N ARG A 152 12.766 3.335 -3.083 1.00 0.00 N ATOM 150 CA ARG A 152 13.743 4.449 -3.247 1.00 0.00 C ATOM 151 C ARG A 152 15.132 3.867 -3.522 1.00 0.00 C ATOM 152 O ARG A 152 15.383 2.711 -3.243 1.00 0.00 O ATOM 153 CB ARG A 152 13.779 5.280 -1.963 1.00 0.00 C ATOM 154 CG ARG A 152 12.365 5.750 -1.616 1.00 0.00 C ATOM 155 CD ARG A 152 12.267 7.264 -1.811 1.00 0.00 C ATOM 156 NE ARG A 152 12.362 7.943 -0.487 1.00 0.00 N ATOM 157 CZ ARG A 152 11.742 9.074 -0.288 1.00 0.00 C ATOM 158 NH1 ARG A 152 11.890 10.058 -1.132 1.00 0.00 N ATOM 159 NH2 ARG A 152 10.976 9.223 0.758 1.00 0.00 N ATOM 0 H ARG A 152 12.881 2.780 -2.235 1.00 0.00 H new ATOM 0 HA ARG A 152 13.444 5.083 -4.082 1.00 0.00 H new ATOM 0 HB2 ARG A 152 14.187 4.686 -1.145 1.00 0.00 H new ATOM 0 HB3 ARG A 152 14.437 6.139 -2.092 1.00 0.00 H new ATOM 0 HG2 ARG A 152 11.637 5.243 -2.249 1.00 0.00 H new ATOM 0 HG3 ARG A 152 12.127 5.490 -0.585 1.00 0.00 H new ATOM 0 HD2 ARG A 152 13.066 7.609 -2.467 1.00 0.00 H new ATOM 0 HD3 ARG A 152 11.324 7.519 -2.296 1.00 0.00 H new ATOM 0 HE ARG A 152 12.911 7.524 0.263 1.00 0.00 H new ATOM 0 HH11 ARG A 152 12.491 9.944 -1.948 1.00 0.00 H new ATOM 0 HH12 ARG A 152 11.405 10.941 -0.975 1.00 0.00 H new ATOM 0 HH21 ARG A 152 10.862 8.455 1.420 1.00 0.00 H new ATOM 0 HH22 ARG A 152 10.491 10.107 0.914 1.00 0.00 H new ATOM 173 N PRO A 153 15.995 4.686 -4.066 1.00 0.00 N ATOM 174 CA PRO A 153 17.372 4.280 -4.397 1.00 0.00 C ATOM 175 C PRO A 153 18.240 4.256 -3.136 1.00 0.00 C ATOM 176 O PRO A 153 19.426 3.998 -3.192 1.00 0.00 O ATOM 177 CB PRO A 153 17.844 5.365 -5.368 1.00 0.00 C ATOM 178 CG PRO A 153 16.953 6.603 -5.107 1.00 0.00 C ATOM 179 CD PRO A 153 15.682 6.091 -4.403 1.00 0.00 C ATOM 0 HA PRO A 153 17.433 3.279 -4.825 1.00 0.00 H new ATOM 0 HB2 PRO A 153 18.895 5.602 -5.204 1.00 0.00 H new ATOM 0 HB3 PRO A 153 17.750 5.030 -6.401 1.00 0.00 H new ATOM 0 HG2 PRO A 153 17.474 7.331 -4.485 1.00 0.00 H new ATOM 0 HG3 PRO A 153 16.703 7.104 -6.042 1.00 0.00 H new ATOM 0 HD2 PRO A 153 15.459 6.675 -3.510 1.00 0.00 H new ATOM 0 HD3 PRO A 153 14.811 6.160 -5.054 1.00 0.00 H new ATOM 187 N TRP A 154 17.661 4.519 -1.996 1.00 0.00 N ATOM 188 CA TRP A 154 18.456 4.506 -0.737 1.00 0.00 C ATOM 189 C TRP A 154 18.133 3.236 0.055 1.00 0.00 C ATOM 190 O TRP A 154 18.898 2.804 0.894 1.00 0.00 O ATOM 191 CB TRP A 154 18.108 5.736 0.103 1.00 0.00 C ATOM 192 CG TRP A 154 19.360 6.466 0.474 1.00 0.00 C ATOM 193 CD1 TRP A 154 19.440 7.796 0.705 1.00 0.00 C ATOM 194 CD2 TRP A 154 20.708 5.936 0.661 1.00 0.00 C ATOM 195 NE1 TRP A 154 20.747 8.118 1.022 1.00 0.00 N ATOM 196 CE2 TRP A 154 21.566 7.008 1.007 1.00 0.00 C ATOM 197 CE3 TRP A 154 21.264 4.644 0.565 1.00 0.00 C ATOM 198 CZ2 TRP A 154 22.925 6.805 1.250 1.00 0.00 C ATOM 199 CZ3 TRP A 154 22.633 4.438 0.808 1.00 0.00 C ATOM 200 CH2 TRP A 154 23.461 5.517 1.150 1.00 0.00 C ATOM 0 H TRP A 154 16.672 4.742 -1.883 1.00 0.00 H new ATOM 0 HA TRP A 154 19.519 4.524 -0.978 1.00 0.00 H new ATOM 0 HB2 TRP A 154 17.444 6.395 -0.457 1.00 0.00 H new ATOM 0 HB3 TRP A 154 17.572 5.434 1.003 1.00 0.00 H new ATOM 0 HD1 TRP A 154 18.617 8.493 0.651 1.00 0.00 H new ATOM 0 HE1 TRP A 154 21.067 9.062 1.240 1.00 0.00 H new ATOM 0 HE3 TRP A 154 20.634 3.807 0.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 23.560 7.638 1.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 23.049 3.444 0.731 1.00 0.00 H new ATOM 0 HH2 TRP A 154 24.512 5.353 1.336 1.00 0.00 H new ATOM 211 N GLY A 155 17.006 2.633 -0.206 1.00 0.00 N ATOM 212 CA GLY A 155 16.640 1.390 0.529 1.00 0.00 C ATOM 213 C GLY A 155 15.388 1.637 1.375 1.00 0.00 C ATOM 214 O GLY A 155 15.133 0.942 2.338 1.00 0.00 O ATOM 0 H GLY A 155 16.323 2.947 -0.896 1.00 0.00 H new ATOM 0 HA2 GLY A 155 16.459 0.579 -0.177 1.00 0.00 H new ATOM 0 HA3 GLY A 155 17.466 1.078 1.168 1.00 0.00 H new ATOM 218 N LYS A 156 14.606 2.620 1.024 1.00 0.00 N ATOM 219 CA LYS A 156 13.371 2.902 1.811 1.00 0.00 C ATOM 220 C LYS A 156 12.146 2.698 0.918 1.00 0.00 C ATOM 221 O LYS A 156 12.213 2.844 -0.285 1.00 0.00 O ATOM 222 CB LYS A 156 13.408 4.345 2.319 1.00 0.00 C ATOM 223 CG LYS A 156 14.485 4.471 3.398 1.00 0.00 C ATOM 224 CD LYS A 156 14.528 5.907 3.922 1.00 0.00 C ATOM 225 CE LYS A 156 15.671 6.043 4.929 1.00 0.00 C ATOM 226 NZ LYS A 156 16.124 7.462 4.981 1.00 0.00 N ATOM 0 H LYS A 156 14.767 3.239 0.229 1.00 0.00 H new ATOM 0 HA LYS A 156 13.315 2.224 2.663 1.00 0.00 H new ATOM 0 HB2 LYS A 156 13.619 5.028 1.496 1.00 0.00 H new ATOM 0 HB3 LYS A 156 12.436 4.626 2.724 1.00 0.00 H new ATOM 0 HG2 LYS A 156 14.275 3.782 4.216 1.00 0.00 H new ATOM 0 HG3 LYS A 156 15.457 4.194 2.989 1.00 0.00 H new ATOM 0 HD2 LYS A 156 14.671 6.604 3.096 1.00 0.00 H new ATOM 0 HD3 LYS A 156 13.579 6.163 4.394 1.00 0.00 H new ATOM 0 HE2 LYS A 156 15.340 5.720 5.916 1.00 0.00 H new ATOM 0 HE3 LYS A 156 16.500 5.396 4.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 16.901 7.553 5.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 16.456 7.755 4.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 15.332 8.069 5.273 1.00 0.00 H new ATOM 240 N PHE A 157 11.026 2.355 1.495 1.00 0.00 N ATOM 241 CA PHE A 157 9.804 2.135 0.671 1.00 0.00 C ATOM 242 C PHE A 157 8.619 2.869 1.301 1.00 0.00 C ATOM 243 O PHE A 157 8.702 3.368 2.406 1.00 0.00 O ATOM 244 CB PHE A 157 9.496 0.638 0.607 1.00 0.00 C ATOM 245 CG PHE A 157 10.594 -0.071 -0.146 1.00 0.00 C ATOM 246 CD1 PHE A 157 11.876 -0.161 0.408 1.00 0.00 C ATOM 247 CD2 PHE A 157 10.329 -0.640 -1.399 1.00 0.00 C ATOM 248 CE1 PHE A 157 12.896 -0.821 -0.289 1.00 0.00 C ATOM 249 CE2 PHE A 157 11.348 -1.301 -2.096 1.00 0.00 C ATOM 250 CZ PHE A 157 12.632 -1.391 -1.542 1.00 0.00 C ATOM 0 H PHE A 157 10.905 2.218 2.498 1.00 0.00 H new ATOM 0 HA PHE A 157 9.974 2.518 -0.335 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.410 0.230 1.614 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.538 0.474 0.114 1.00 0.00 H new ATOM 0 HD1 PHE A 157 12.079 0.279 1.373 1.00 0.00 H new ATOM 0 HD2 PHE A 157 9.340 -0.569 -1.827 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.885 -0.891 0.139 1.00 0.00 H new ATOM 0 HE2 PHE A 157 11.144 -1.742 -3.061 1.00 0.00 H new ATOM 0 HZ PHE A 157 13.418 -1.900 -2.080 1.00 0.00 H new ATOM 260 N ALA A 158 7.516 2.938 0.608 1.00 0.00 N ATOM 261 CA ALA A 158 6.328 3.637 1.173 1.00 0.00 C ATOM 262 C ALA A 158 5.049 2.912 0.754 1.00 0.00 C ATOM 263 O ALA A 158 4.702 2.864 -0.409 1.00 0.00 O ATOM 264 CB ALA A 158 6.283 5.074 0.654 1.00 0.00 C ATOM 0 H ALA A 158 7.386 2.542 -0.323 1.00 0.00 H new ATOM 0 HA ALA A 158 6.403 3.641 2.260 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.413 5.583 1.069 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.189 5.599 0.957 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.214 5.066 -0.434 1.00 0.00 H new ATOM 270 N ALA A 159 4.339 2.356 1.697 1.00 0.00 N ATOM 271 CA ALA A 159 3.076 1.645 1.360 1.00 0.00 C ATOM 272 C ALA A 159 1.940 2.665 1.295 1.00 0.00 C ATOM 273 O ALA A 159 1.672 3.369 2.248 1.00 0.00 O ATOM 274 CB ALA A 159 2.769 0.606 2.440 1.00 0.00 C ATOM 0 H ALA A 159 4.581 2.364 2.688 1.00 0.00 H new ATOM 0 HA ALA A 159 3.179 1.142 0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 159 1.844 0.086 2.192 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.586 -0.113 2.495 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.658 1.104 3.403 1.00 0.00 H new ATOM 280 N GLU A 160 1.274 2.758 0.176 1.00 0.00 N ATOM 281 CA GLU A 160 0.163 3.742 0.053 1.00 0.00 C ATOM 282 C GLU A 160 -0.937 3.165 -0.841 1.00 0.00 C ATOM 283 O GLU A 160 -0.685 2.348 -1.704 1.00 0.00 O ATOM 284 CB GLU A 160 0.693 5.038 -0.567 1.00 0.00 C ATOM 285 CG GLU A 160 2.124 5.291 -0.086 1.00 0.00 C ATOM 286 CD GLU A 160 2.767 6.376 -0.953 1.00 0.00 C ATOM 287 OE1 GLU A 160 2.177 7.438 -1.072 1.00 0.00 O ATOM 288 OE2 GLU A 160 3.837 6.128 -1.483 1.00 0.00 O ATOM 0 H GLU A 160 1.451 2.196 -0.656 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.244 3.951 1.042 1.00 0.00 H new ATOM 0 HB2 GLU A 160 0.671 4.968 -1.655 1.00 0.00 H new ATOM 0 HB3 GLU A 160 0.052 5.875 -0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 160 2.119 5.601 0.959 1.00 0.00 H new ATOM 0 HG3 GLU A 160 2.707 4.372 -0.143 1.00 0.00 H new ATOM 295 N ILE A 161 -2.156 3.586 -0.642 1.00 0.00 N ATOM 296 CA ILE A 161 -3.271 3.064 -1.479 1.00 0.00 C ATOM 297 C ILE A 161 -4.286 4.180 -1.731 1.00 0.00 C ATOM 298 O ILE A 161 -4.681 4.888 -0.826 1.00 0.00 O ATOM 299 CB ILE A 161 -3.962 1.912 -0.749 1.00 0.00 C ATOM 300 CG1 ILE A 161 -5.210 1.492 -1.530 1.00 0.00 C ATOM 301 CG2 ILE A 161 -4.369 2.371 0.654 1.00 0.00 C ATOM 302 CD1 ILE A 161 -6.072 0.573 -0.663 1.00 0.00 C ATOM 0 H ILE A 161 -2.427 4.269 0.065 1.00 0.00 H new ATOM 0 HA ILE A 161 -2.873 2.709 -2.429 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.279 1.066 -0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -5.781 2.373 -1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -4.922 0.978 -2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.862 1.551 1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.481 2.674 1.210 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -5.054 3.215 0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -6.960 0.275 -1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.499 -0.314 -0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.372 1.102 0.242 1.00 0.00 H new ATOM 314 N ARG A 162 -4.716 4.341 -2.952 1.00 0.00 N ATOM 315 CA ARG A 162 -5.710 5.407 -3.254 1.00 0.00 C ATOM 316 C ARG A 162 -7.021 5.089 -2.532 1.00 0.00 C ATOM 317 O ARG A 162 -7.470 3.961 -2.513 1.00 0.00 O ATOM 318 CB ARG A 162 -5.955 5.468 -4.762 1.00 0.00 C ATOM 319 CG ARG A 162 -6.724 4.221 -5.207 1.00 0.00 C ATOM 320 CD ARG A 162 -6.387 3.913 -6.666 1.00 0.00 C ATOM 321 NE ARG A 162 -7.555 3.255 -7.317 1.00 0.00 N ATOM 322 CZ ARG A 162 -7.968 3.668 -8.484 1.00 0.00 C ATOM 323 NH1 ARG A 162 -8.361 4.902 -8.640 1.00 0.00 N ATOM 324 NH2 ARG A 162 -7.988 2.844 -9.496 1.00 0.00 N ATOM 0 H ARG A 162 -4.422 3.781 -3.752 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.329 6.370 -2.915 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -6.520 6.365 -5.013 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -5.005 5.531 -5.293 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -6.462 3.373 -4.574 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -7.796 4.382 -5.096 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -6.133 4.832 -7.194 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -5.513 3.263 -6.719 1.00 0.00 H new ATOM 0 HE ARG A 162 -8.031 2.483 -6.851 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -8.346 5.546 -7.849 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -8.683 5.223 -9.553 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -7.681 1.879 -9.374 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -8.311 3.165 -10.409 1.00 0.00 H new ATOM 338 N ASP A 163 -7.634 6.071 -1.934 1.00 0.00 N ATOM 339 CA ASP A 163 -8.911 5.818 -1.208 1.00 0.00 C ATOM 340 C ASP A 163 -10.048 6.602 -1.875 1.00 0.00 C ATOM 341 O ASP A 163 -10.097 7.813 -1.779 1.00 0.00 O ATOM 342 CB ASP A 163 -8.766 6.276 0.244 1.00 0.00 C ATOM 343 CG ASP A 163 -9.890 5.670 1.086 1.00 0.00 C ATOM 344 OD1 ASP A 163 -10.966 5.469 0.547 1.00 0.00 O ATOM 345 OD2 ASP A 163 -9.656 5.418 2.257 1.00 0.00 O ATOM 0 H ASP A 163 -7.307 7.037 -1.916 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.139 4.753 -1.238 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.797 5.970 0.638 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.803 7.364 0.298 1.00 0.00 H new ATOM 350 N PRO A 164 -10.935 5.891 -2.529 1.00 0.00 N ATOM 351 CA PRO A 164 -12.086 6.503 -3.215 1.00 0.00 C ATOM 352 C PRO A 164 -13.165 6.887 -2.198 1.00 0.00 C ATOM 353 O PRO A 164 -13.938 7.799 -2.413 1.00 0.00 O ATOM 354 CB PRO A 164 -12.581 5.392 -4.148 1.00 0.00 C ATOM 355 CG PRO A 164 -12.066 4.061 -3.552 1.00 0.00 C ATOM 356 CD PRO A 164 -10.874 4.419 -2.645 1.00 0.00 C ATOM 0 HA PRO A 164 -11.833 7.418 -3.751 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -13.669 5.394 -4.211 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -12.202 5.537 -5.160 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -12.850 3.562 -2.983 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -11.760 3.375 -4.342 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -10.957 3.939 -1.670 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -9.930 4.093 -3.081 1.00 0.00 H new ATOM 364 N ALA A 165 -13.220 6.196 -1.094 1.00 0.00 N ATOM 365 CA ALA A 165 -14.244 6.514 -0.063 1.00 0.00 C ATOM 366 C ALA A 165 -13.873 7.816 0.649 1.00 0.00 C ATOM 367 O ALA A 165 -14.690 8.427 1.309 1.00 0.00 O ATOM 368 CB ALA A 165 -14.310 5.376 0.957 1.00 0.00 C ATOM 0 H ALA A 165 -12.597 5.422 -0.861 1.00 0.00 H new ATOM 0 HA ALA A 165 -15.215 6.631 -0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -15.060 5.608 1.713 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -14.580 4.449 0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -13.337 5.259 1.435 1.00 0.00 H new ATOM 374 N LYS A 166 -12.646 8.246 0.526 1.00 0.00 N ATOM 375 CA LYS A 166 -12.230 9.507 1.203 1.00 0.00 C ATOM 376 C LYS A 166 -12.171 10.644 0.181 1.00 0.00 C ATOM 377 O LYS A 166 -11.307 11.497 0.237 1.00 0.00 O ATOM 378 CB LYS A 166 -10.851 9.315 1.836 1.00 0.00 C ATOM 379 CG LYS A 166 -10.925 8.215 2.897 1.00 0.00 C ATOM 380 CD LYS A 166 -9.670 8.262 3.774 1.00 0.00 C ATOM 381 CE LYS A 166 -9.870 7.371 5.002 1.00 0.00 C ATOM 382 NZ LYS A 166 -8.638 7.397 5.842 1.00 0.00 N ATOM 0 H LYS A 166 -11.916 7.780 -0.013 1.00 0.00 H new ATOM 0 HA LYS A 166 -12.954 9.757 1.979 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -10.122 9.048 1.071 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -10.513 10.248 2.287 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -11.815 8.348 3.511 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -11.010 7.239 2.419 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -8.803 7.926 3.205 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -9.469 9.287 4.085 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -10.725 7.719 5.581 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -10.090 6.350 4.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -8.774 6.791 6.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -7.832 7.046 5.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -8.448 8.372 6.149 1.00 0.00 H new ATOM 396 N ASN A 167 -13.084 10.667 -0.753 1.00 0.00 N ATOM 397 CA ASN A 167 -13.078 11.751 -1.775 1.00 0.00 C ATOM 398 C ASN A 167 -11.763 11.712 -2.556 1.00 0.00 C ATOM 399 O ASN A 167 -11.181 12.734 -2.861 1.00 0.00 O ATOM 400 CB ASN A 167 -13.214 13.106 -1.076 1.00 0.00 C ATOM 401 CG ASN A 167 -14.692 13.398 -0.811 1.00 0.00 C ATOM 402 OD1 ASN A 167 -15.366 13.979 -1.638 1.00 0.00 O ATOM 403 ND2 ASN A 167 -15.226 13.016 0.316 1.00 0.00 N ATOM 0 H ASN A 167 -13.833 9.982 -0.852 1.00 0.00 H new ATOM 0 HA ASN A 167 -13.912 11.607 -2.462 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -12.660 13.100 -0.137 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -12.783 13.892 -1.696 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -16.211 13.205 0.504 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -14.659 12.528 1.010 1.00 0.00 H new ATOM 410 N GLY A 168 -11.288 10.541 -2.880 1.00 0.00 N ATOM 411 CA GLY A 168 -10.011 10.440 -3.641 1.00 0.00 C ATOM 412 C GLY A 168 -8.871 11.025 -2.806 1.00 0.00 C ATOM 413 O GLY A 168 -8.276 12.023 -3.162 1.00 0.00 O ATOM 0 H GLY A 168 -11.729 9.650 -2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -9.801 9.398 -3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -10.095 10.976 -4.586 1.00 0.00 H new ATOM 417 N ALA A 169 -8.560 10.412 -1.696 1.00 0.00 N ATOM 418 CA ALA A 169 -7.459 10.932 -0.840 1.00 0.00 C ATOM 419 C ALA A 169 -6.349 9.883 -0.744 1.00 0.00 C ATOM 420 O ALA A 169 -6.604 8.716 -0.523 1.00 0.00 O ATOM 421 CB ALA A 169 -7.999 11.232 0.559 1.00 0.00 C ATOM 0 H ALA A 169 -9.022 9.573 -1.346 1.00 0.00 H new ATOM 0 HA ALA A 169 -7.059 11.846 -1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -7.193 11.613 1.186 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -8.790 11.979 0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -8.400 10.318 0.998 1.00 0.00 H new ATOM 427 N ARG A 170 -5.119 10.288 -0.909 1.00 0.00 N ATOM 428 CA ARG A 170 -3.996 9.310 -0.828 1.00 0.00 C ATOM 429 C ARG A 170 -3.903 8.753 0.595 1.00 0.00 C ATOM 430 O ARG A 170 -4.099 9.461 1.563 1.00 0.00 O ATOM 431 CB ARG A 170 -2.684 10.011 -1.187 1.00 0.00 C ATOM 432 CG ARG A 170 -2.365 11.070 -0.130 1.00 0.00 C ATOM 433 CD ARG A 170 -0.969 11.642 -0.385 1.00 0.00 C ATOM 434 NE ARG A 170 -1.091 13.028 -0.921 1.00 0.00 N ATOM 435 CZ ARG A 170 -0.600 13.319 -2.095 1.00 0.00 C ATOM 436 NH1 ARG A 170 0.686 13.237 -2.302 1.00 0.00 N ATOM 437 NH2 ARG A 170 -1.395 13.693 -3.060 1.00 0.00 N ATOM 0 H ARG A 170 -4.843 11.252 -1.096 1.00 0.00 H new ATOM 0 HA ARG A 170 -4.176 8.493 -1.526 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -1.874 9.283 -1.244 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -2.765 10.476 -2.170 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -3.108 11.867 -0.163 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -2.413 10.631 0.866 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -0.392 11.648 0.540 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -0.430 11.013 -1.093 1.00 0.00 H new ATOM 0 HE ARG A 170 -1.558 13.749 -0.370 1.00 0.00 H new ATOM 0 HH11 ARG A 170 1.307 12.946 -1.547 1.00 0.00 H new ATOM 0 HH12 ARG A 170 1.070 13.464 -3.219 1.00 0.00 H new ATOM 0 HH21 ARG A 170 -2.400 13.758 -2.897 1.00 0.00 H new ATOM 0 HH22 ARG A 170 -1.012 13.920 -3.977 1.00 0.00 H new ATOM 451 N VAL A 171 -3.608 7.489 0.729 1.00 0.00 N ATOM 452 CA VAL A 171 -3.504 6.889 2.089 1.00 0.00 C ATOM 453 C VAL A 171 -2.075 6.392 2.319 1.00 0.00 C ATOM 454 O VAL A 171 -1.754 5.251 2.055 1.00 0.00 O ATOM 455 CB VAL A 171 -4.485 5.718 2.202 1.00 0.00 C ATOM 456 CG1 VAL A 171 -4.133 4.860 3.419 1.00 0.00 C ATOM 457 CG2 VAL A 171 -5.905 6.262 2.360 1.00 0.00 C ATOM 0 H VAL A 171 -3.435 6.846 -0.044 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.748 7.639 2.841 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.421 5.107 1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.834 4.029 3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -3.120 4.471 3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -4.193 5.467 4.322 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.606 5.431 2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -5.962 6.874 3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -6.161 6.869 1.492 1.00 0.00 H new ATOM 467 N TRP A 172 -1.216 7.241 2.811 1.00 0.00 N ATOM 468 CA TRP A 172 0.189 6.814 3.060 1.00 0.00 C ATOM 469 C TRP A 172 0.233 5.912 4.293 1.00 0.00 C ATOM 470 O TRP A 172 0.341 6.374 5.411 1.00 0.00 O ATOM 471 CB TRP A 172 1.065 8.045 3.297 1.00 0.00 C ATOM 472 CG TRP A 172 2.490 7.620 3.457 1.00 0.00 C ATOM 473 CD1 TRP A 172 2.984 6.936 4.516 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.611 7.833 2.552 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.334 6.721 4.320 1.00 0.00 N ATOM 476 CE2 TRP A 172 4.768 7.254 3.126 1.00 0.00 C ATOM 477 CE3 TRP A 172 3.737 8.469 1.303 1.00 0.00 C ATOM 478 CZ2 TRP A 172 6.004 7.301 2.486 1.00 0.00 C ATOM 479 CZ3 TRP A 172 4.982 8.520 0.652 1.00 0.00 C ATOM 480 CH2 TRP A 172 6.113 7.937 1.244 1.00 0.00 C ATOM 0 H TRP A 172 -1.426 8.210 3.051 1.00 0.00 H new ATOM 0 HA TRP A 172 0.562 6.267 2.194 1.00 0.00 H new ATOM 0 HB2 TRP A 172 0.973 8.737 2.460 1.00 0.00 H new ATOM 0 HB3 TRP A 172 0.731 8.576 4.188 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.415 6.611 5.374 1.00 0.00 H new ATOM 0 HE1 TRP A 172 4.936 6.228 4.979 1.00 0.00 H new ATOM 0 HE3 TRP A 172 2.871 8.921 0.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 6.872 6.850 2.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 5.068 9.009 -0.307 1.00 0.00 H new ATOM 0 HH2 TRP A 172 7.068 7.979 0.741 1.00 0.00 H new ATOM 491 N LEU A 173 0.144 4.626 4.097 1.00 0.00 N ATOM 492 CA LEU A 173 0.180 3.689 5.254 1.00 0.00 C ATOM 493 C LEU A 173 1.439 3.951 6.085 1.00 0.00 C ATOM 494 O LEU A 173 1.405 3.937 7.301 1.00 0.00 O ATOM 495 CB LEU A 173 0.197 2.250 4.739 1.00 0.00 C ATOM 496 CG LEU A 173 -1.228 1.817 4.391 1.00 0.00 C ATOM 497 CD1 LEU A 173 -1.207 0.962 3.124 1.00 0.00 C ATOM 498 CD2 LEU A 173 -1.808 0.998 5.547 1.00 0.00 C ATOM 0 H LEU A 173 0.048 4.183 3.183 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.702 3.843 5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 173 0.837 2.175 3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 173 0.616 1.586 5.496 1.00 0.00 H new ATOM 0 HG LEU A 173 -1.845 2.700 4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -2.223 0.654 2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -0.793 1.543 2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -0.590 0.079 3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -2.824 0.689 5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -1.190 0.115 5.713 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -1.824 1.606 6.452 1.00 0.00 H new ATOM 510 N GLY A 174 2.549 4.190 5.442 1.00 0.00 N ATOM 511 CA GLY A 174 3.806 4.453 6.200 1.00 0.00 C ATOM 512 C GLY A 174 4.996 3.861 5.442 1.00 0.00 C ATOM 513 O GLY A 174 4.848 2.960 4.642 1.00 0.00 O ATOM 0 H GLY A 174 2.640 4.215 4.426 1.00 0.00 H new ATOM 0 HA2 GLY A 174 3.944 5.526 6.334 1.00 0.00 H new ATOM 0 HA3 GLY A 174 3.741 4.014 7.195 1.00 0.00 H new ATOM 517 N THR A 175 6.176 4.360 5.689 1.00 0.00 N ATOM 518 CA THR A 175 7.373 3.825 4.981 1.00 0.00 C ATOM 519 C THR A 175 7.706 2.432 5.520 1.00 0.00 C ATOM 520 O THR A 175 7.165 1.996 6.517 1.00 0.00 O ATOM 521 CB THR A 175 8.565 4.760 5.206 1.00 0.00 C ATOM 522 OG1 THR A 175 9.235 4.388 6.402 1.00 0.00 O ATOM 523 CG2 THR A 175 8.071 6.203 5.320 1.00 0.00 C ATOM 0 H THR A 175 6.363 5.114 6.350 1.00 0.00 H new ATOM 0 HA THR A 175 7.162 3.760 3.914 1.00 0.00 H new ATOM 0 HB THR A 175 9.253 4.682 4.364 1.00 0.00 H new ATOM 0 HG1 THR A 175 9.999 4.984 6.548 1.00 0.00 H new ATOM 0 HG21 THR A 175 8.921 6.867 5.480 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.558 6.486 4.401 1.00 0.00 H new ATOM 0 HG23 THR A 175 7.382 6.286 6.160 1.00 0.00 H new ATOM 531 N PHE A 176 8.588 1.730 4.864 1.00 0.00 N ATOM 532 CA PHE A 176 8.953 0.364 5.334 1.00 0.00 C ATOM 533 C PHE A 176 10.444 0.121 5.087 1.00 0.00 C ATOM 534 O PHE A 176 11.148 0.979 4.593 1.00 0.00 O ATOM 535 CB PHE A 176 8.130 -0.670 4.564 1.00 0.00 C ATOM 536 CG PHE A 176 6.715 -0.665 5.087 1.00 0.00 C ATOM 537 CD1 PHE A 176 5.785 0.256 4.586 1.00 0.00 C ATOM 538 CD2 PHE A 176 6.333 -1.579 6.077 1.00 0.00 C ATOM 539 CE1 PHE A 176 4.473 0.262 5.077 1.00 0.00 C ATOM 540 CE2 PHE A 176 5.021 -1.572 6.567 1.00 0.00 C ATOM 541 CZ PHE A 176 4.090 -0.651 6.067 1.00 0.00 C ATOM 0 H PHE A 176 9.072 2.043 4.023 1.00 0.00 H new ATOM 0 HA PHE A 176 8.745 0.275 6.400 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.138 -0.439 3.499 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.569 -1.661 4.678 1.00 0.00 H new ATOM 0 HD1 PHE A 176 6.080 0.960 3.822 1.00 0.00 H new ATOM 0 HD2 PHE A 176 7.050 -2.289 6.462 1.00 0.00 H new ATOM 0 HE1 PHE A 176 3.756 0.972 4.691 1.00 0.00 H new ATOM 0 HE2 PHE A 176 4.726 -2.277 7.331 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.078 -0.646 6.445 1.00 0.00 H new ATOM 551 N GLU A 177 10.932 -1.043 5.424 1.00 0.00 N ATOM 552 CA GLU A 177 12.377 -1.335 5.205 1.00 0.00 C ATOM 553 C GLU A 177 12.581 -1.866 3.783 1.00 0.00 C ATOM 554 O GLU A 177 13.621 -1.677 3.183 1.00 0.00 O ATOM 555 CB GLU A 177 12.845 -2.387 6.214 1.00 0.00 C ATOM 556 CG GLU A 177 13.023 -1.736 7.587 1.00 0.00 C ATOM 557 CD GLU A 177 12.668 -2.744 8.680 1.00 0.00 C ATOM 558 OE1 GLU A 177 13.472 -3.627 8.930 1.00 0.00 O ATOM 559 OE2 GLU A 177 11.596 -2.618 9.249 1.00 0.00 O ATOM 0 H GLU A 177 10.393 -1.802 5.841 1.00 0.00 H new ATOM 0 HA GLU A 177 12.956 -0.421 5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 177 12.117 -3.196 6.275 1.00 0.00 H new ATOM 0 HB3 GLU A 177 13.786 -2.829 5.885 1.00 0.00 H new ATOM 0 HG2 GLU A 177 14.052 -1.398 7.710 1.00 0.00 H new ATOM 0 HG3 GLU A 177 12.386 -0.855 7.669 1.00 0.00 H new ATOM 566 N THR A 178 11.597 -2.532 3.240 1.00 0.00 N ATOM 567 CA THR A 178 11.738 -3.074 1.858 1.00 0.00 C ATOM 568 C THR A 178 10.403 -2.946 1.121 1.00 0.00 C ATOM 569 O THR A 178 9.430 -2.455 1.656 1.00 0.00 O ATOM 570 CB THR A 178 12.145 -4.548 1.928 1.00 0.00 C ATOM 571 OG1 THR A 178 10.998 -5.343 2.197 1.00 0.00 O ATOM 572 CG2 THR A 178 13.175 -4.742 3.041 1.00 0.00 C ATOM 0 H THR A 178 10.703 -2.724 3.693 1.00 0.00 H new ATOM 0 HA THR A 178 12.503 -2.511 1.323 1.00 0.00 H new ATOM 0 HB THR A 178 12.581 -4.850 0.976 1.00 0.00 H new ATOM 0 HG1 THR A 178 11.257 -6.287 2.241 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.464 -5.792 3.090 1.00 0.00 H new ATOM 0 HG22 THR A 178 14.055 -4.133 2.833 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.742 -4.440 3.994 1.00 0.00 H new ATOM 580 N ALA A 179 10.351 -3.384 -0.108 1.00 0.00 N ATOM 581 CA ALA A 179 9.081 -3.288 -0.880 1.00 0.00 C ATOM 582 C ALA A 179 8.141 -4.419 -0.463 1.00 0.00 C ATOM 583 O ALA A 179 6.942 -4.323 -0.609 1.00 0.00 O ATOM 584 CB ALA A 179 9.383 -3.407 -2.375 1.00 0.00 C ATOM 0 H ALA A 179 11.133 -3.804 -0.610 1.00 0.00 H new ATOM 0 HA ALA A 179 8.607 -2.328 -0.677 1.00 0.00 H new ATOM 0 HB1 ALA A 179 8.454 -3.337 -2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 179 10.053 -2.602 -2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 179 9.858 -4.368 -2.575 1.00 0.00 H new ATOM 590 N GLU A 180 8.678 -5.493 0.049 1.00 0.00 N ATOM 591 CA GLU A 180 7.811 -6.631 0.471 1.00 0.00 C ATOM 592 C GLU A 180 7.049 -6.252 1.742 1.00 0.00 C ATOM 593 O GLU A 180 5.910 -6.635 1.932 1.00 0.00 O ATOM 594 CB GLU A 180 8.680 -7.862 0.743 1.00 0.00 C ATOM 595 CG GLU A 180 7.811 -8.988 1.306 1.00 0.00 C ATOM 596 CD GLU A 180 8.307 -10.331 0.771 1.00 0.00 C ATOM 597 OE1 GLU A 180 9.102 -10.321 -0.154 1.00 0.00 O ATOM 598 OE2 GLU A 180 7.883 -11.349 1.295 1.00 0.00 O ATOM 0 H GLU A 180 9.678 -5.632 0.193 1.00 0.00 H new ATOM 0 HA GLU A 180 7.099 -6.857 -0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.165 -8.188 -0.177 1.00 0.00 H new ATOM 0 HB3 GLU A 180 9.472 -7.612 1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 180 7.850 -8.982 2.395 1.00 0.00 H new ATOM 0 HG3 GLU A 180 6.770 -8.834 1.023 1.00 0.00 H new ATOM 605 N ASP A 181 7.664 -5.503 2.613 1.00 0.00 N ATOM 606 CA ASP A 181 6.974 -5.098 3.869 1.00 0.00 C ATOM 607 C ASP A 181 5.968 -3.990 3.558 1.00 0.00 C ATOM 608 O ASP A 181 4.879 -3.962 4.096 1.00 0.00 O ATOM 609 CB ASP A 181 8.007 -4.579 4.872 1.00 0.00 C ATOM 610 CG ASP A 181 9.346 -5.290 4.656 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.341 -6.507 4.575 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.352 -4.605 4.578 1.00 0.00 O ATOM 0 H ASP A 181 8.616 -5.153 2.509 1.00 0.00 H new ATOM 0 HA ASP A 181 6.454 -5.957 4.293 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.133 -3.503 4.753 1.00 0.00 H new ATOM 0 HB3 ASP A 181 7.655 -4.748 5.890 1.00 0.00 H new ATOM 617 N ALA A 182 6.319 -3.078 2.693 1.00 0.00 N ATOM 618 CA ALA A 182 5.375 -1.978 2.351 1.00 0.00 C ATOM 619 C ALA A 182 4.218 -2.552 1.538 1.00 0.00 C ATOM 620 O ALA A 182 3.095 -2.094 1.623 1.00 0.00 O ATOM 621 CB ALA A 182 6.100 -0.913 1.527 1.00 0.00 C ATOM 0 H ALA A 182 7.217 -3.047 2.210 1.00 0.00 H new ATOM 0 HA ALA A 182 4.995 -1.523 3.266 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.406 -0.110 1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 182 6.931 -0.509 2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 182 6.481 -1.360 0.609 1.00 0.00 H new ATOM 627 N ALA A 183 4.482 -3.559 0.754 1.00 0.00 N ATOM 628 CA ALA A 183 3.401 -4.174 -0.059 1.00 0.00 C ATOM 629 C ALA A 183 2.493 -4.978 0.867 1.00 0.00 C ATOM 630 O ALA A 183 1.284 -4.961 0.738 1.00 0.00 O ATOM 631 CB ALA A 183 4.014 -5.101 -1.112 1.00 0.00 C ATOM 0 H ALA A 183 5.403 -3.983 0.642 1.00 0.00 H new ATOM 0 HA ALA A 183 2.825 -3.398 -0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.220 -5.551 -1.707 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.674 -4.527 -1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.586 -5.886 -0.617 1.00 0.00 H new ATOM 637 N LEU A 184 3.072 -5.676 1.805 1.00 0.00 N ATOM 638 CA LEU A 184 2.255 -6.479 2.754 1.00 0.00 C ATOM 639 C LEU A 184 1.341 -5.538 3.540 1.00 0.00 C ATOM 640 O LEU A 184 0.166 -5.796 3.718 1.00 0.00 O ATOM 641 CB LEU A 184 3.189 -7.223 3.715 1.00 0.00 C ATOM 642 CG LEU A 184 2.883 -8.721 3.670 1.00 0.00 C ATOM 643 CD1 LEU A 184 3.567 -9.415 4.848 1.00 0.00 C ATOM 644 CD2 LEU A 184 1.372 -8.941 3.757 1.00 0.00 C ATOM 0 H LEU A 184 4.080 -5.724 1.954 1.00 0.00 H new ATOM 0 HA LEU A 184 1.649 -7.203 2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 184 4.228 -7.045 3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.060 -6.845 4.729 1.00 0.00 H new ATOM 0 HG LEU A 184 3.255 -9.138 2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 184 3.350 -10.483 4.817 1.00 0.00 H new ATOM 0 HD12 LEU A 184 4.644 -9.262 4.785 1.00 0.00 H new ATOM 0 HD13 LEU A 184 3.195 -8.996 5.783 1.00 0.00 H new ATOM 0 HD21 LEU A 184 1.157 -10.009 3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 184 0.997 -8.524 4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.883 -8.447 2.917 1.00 0.00 H new ATOM 656 N ALA A 185 1.872 -4.440 3.996 1.00 0.00 N ATOM 657 CA ALA A 185 1.037 -3.471 4.755 1.00 0.00 C ATOM 658 C ALA A 185 0.023 -2.848 3.798 1.00 0.00 C ATOM 659 O ALA A 185 -1.075 -2.496 4.181 1.00 0.00 O ATOM 660 CB ALA A 185 1.931 -2.375 5.342 1.00 0.00 C ATOM 0 H ALA A 185 2.849 -4.172 3.876 1.00 0.00 H new ATOM 0 HA ALA A 185 0.518 -3.980 5.567 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.319 -1.665 5.898 1.00 0.00 H new ATOM 0 HB2 ALA A 185 2.665 -2.824 6.012 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.447 -1.855 4.535 1.00 0.00 H new ATOM 666 N TYR A 186 0.382 -2.716 2.550 1.00 0.00 N ATOM 667 CA TYR A 186 -0.560 -2.126 1.561 1.00 0.00 C ATOM 668 C TYR A 186 -1.787 -3.025 1.443 1.00 0.00 C ATOM 669 O TYR A 186 -2.874 -2.568 1.161 1.00 0.00 O ATOM 670 CB TYR A 186 0.124 -2.019 0.197 1.00 0.00 C ATOM 671 CG TYR A 186 -0.906 -1.668 -0.849 1.00 0.00 C ATOM 672 CD1 TYR A 186 -1.765 -2.660 -1.338 1.00 0.00 C ATOM 673 CD2 TYR A 186 -1.007 -0.355 -1.326 1.00 0.00 C ATOM 674 CE1 TYR A 186 -2.724 -2.340 -2.306 1.00 0.00 C ATOM 675 CE2 TYR A 186 -1.967 -0.034 -2.294 1.00 0.00 C ATOM 676 CZ TYR A 186 -2.826 -1.026 -2.785 1.00 0.00 C ATOM 677 OH TYR A 186 -3.772 -0.712 -3.740 1.00 0.00 O ATOM 0 H TYR A 186 1.289 -2.992 2.174 1.00 0.00 H new ATOM 0 HA TYR A 186 -0.860 -1.131 1.891 1.00 0.00 H new ATOM 0 HB2 TYR A 186 0.904 -1.258 0.227 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.609 -2.962 -0.055 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -1.688 -3.672 -0.968 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.345 0.410 -0.948 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -3.386 -3.105 -2.684 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -2.045 0.978 -2.662 1.00 0.00 H new ATOM 0 HH TYR A 186 -4.549 -1.301 -3.637 1.00 0.00 H new ATOM 687 N ASP A 187 -1.621 -4.299 1.655 1.00 0.00 N ATOM 688 CA ASP A 187 -2.774 -5.228 1.563 1.00 0.00 C ATOM 689 C ASP A 187 -3.729 -4.961 2.725 1.00 0.00 C ATOM 690 O ASP A 187 -4.925 -4.832 2.550 1.00 0.00 O ATOM 691 CB ASP A 187 -2.259 -6.663 1.653 1.00 0.00 C ATOM 692 CG ASP A 187 -1.175 -6.892 0.597 1.00 0.00 C ATOM 693 OD1 ASP A 187 -1.293 -6.331 -0.479 1.00 0.00 O ATOM 694 OD2 ASP A 187 -0.243 -7.627 0.883 1.00 0.00 O ATOM 0 H ASP A 187 -0.730 -4.737 1.889 1.00 0.00 H new ATOM 0 HA ASP A 187 -3.298 -5.080 0.619 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.856 -6.853 2.648 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -3.080 -7.364 1.502 1.00 0.00 H new ATOM 699 N ARG A 188 -3.202 -4.886 3.913 1.00 0.00 N ATOM 700 CA ARG A 188 -4.061 -4.639 5.108 1.00 0.00 C ATOM 701 C ARG A 188 -4.931 -3.396 4.898 1.00 0.00 C ATOM 702 O ARG A 188 -6.060 -3.341 5.342 1.00 0.00 O ATOM 703 CB ARG A 188 -3.172 -4.433 6.337 1.00 0.00 C ATOM 704 CG ARG A 188 -2.417 -5.727 6.643 1.00 0.00 C ATOM 705 CD ARG A 188 -3.380 -6.748 7.249 1.00 0.00 C ATOM 706 NE ARG A 188 -2.623 -7.686 8.123 1.00 0.00 N ATOM 707 CZ ARG A 188 -2.091 -8.764 7.616 1.00 0.00 C ATOM 708 NH1 ARG A 188 -0.928 -8.702 7.028 1.00 0.00 N ATOM 709 NH2 ARG A 188 -2.724 -9.903 7.696 1.00 0.00 N ATOM 0 H ARG A 188 -2.206 -4.986 4.112 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.711 -5.501 5.257 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -2.467 -3.622 6.157 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -3.780 -4.143 7.194 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -1.974 -6.126 5.731 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -1.598 -5.528 7.335 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -4.151 -6.238 7.826 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -3.887 -7.300 6.458 1.00 0.00 H new ATOM 0 HE ARG A 188 -2.520 -7.486 9.118 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -0.435 -7.811 6.965 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -0.511 -9.544 6.631 1.00 0.00 H new ATOM 0 HH21 ARG A 188 -3.634 -9.950 8.155 1.00 0.00 H new ATOM 0 HH22 ARG A 188 -2.309 -10.746 7.300 1.00 0.00 H new ATOM 723 N ALA A 189 -4.420 -2.392 4.239 1.00 0.00 N ATOM 724 CA ALA A 189 -5.233 -1.159 4.024 1.00 0.00 C ATOM 725 C ALA A 189 -6.175 -1.357 2.835 1.00 0.00 C ATOM 726 O ALA A 189 -7.312 -0.928 2.853 1.00 0.00 O ATOM 727 CB ALA A 189 -4.304 0.025 3.749 1.00 0.00 C ATOM 0 H ALA A 189 -3.481 -2.371 3.842 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.823 -0.959 4.918 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.898 0.925 3.592 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -3.640 0.172 4.601 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.710 -0.178 2.858 1.00 0.00 H new ATOM 733 N ALA A 190 -5.714 -2.005 1.802 1.00 0.00 N ATOM 734 CA ALA A 190 -6.583 -2.234 0.614 1.00 0.00 C ATOM 735 C ALA A 190 -7.504 -3.425 0.883 1.00 0.00 C ATOM 736 O ALA A 190 -8.253 -3.850 0.027 1.00 0.00 O ATOM 737 CB ALA A 190 -5.711 -2.526 -0.608 1.00 0.00 C ATOM 0 H ALA A 190 -4.771 -2.387 1.729 1.00 0.00 H new ATOM 0 HA ALA A 190 -7.184 -1.345 0.424 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -6.347 -2.694 -1.477 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -5.054 -1.677 -0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -5.110 -3.416 -0.422 1.00 0.00 H new ATOM 743 N PHE A 191 -7.461 -3.962 2.071 1.00 0.00 N ATOM 744 CA PHE A 191 -8.341 -5.114 2.399 1.00 0.00 C ATOM 745 C PHE A 191 -9.343 -4.669 3.458 1.00 0.00 C ATOM 746 O PHE A 191 -10.517 -4.966 3.389 1.00 0.00 O ATOM 747 CB PHE A 191 -7.493 -6.268 2.939 1.00 0.00 C ATOM 748 CG PHE A 191 -8.174 -7.581 2.640 1.00 0.00 C ATOM 749 CD1 PHE A 191 -8.078 -8.142 1.360 1.00 0.00 C ATOM 750 CD2 PHE A 191 -8.899 -8.240 3.641 1.00 0.00 C ATOM 751 CE1 PHE A 191 -8.708 -9.362 1.081 1.00 0.00 C ATOM 752 CE2 PHE A 191 -9.530 -9.460 3.363 1.00 0.00 C ATOM 753 CZ PHE A 191 -9.433 -10.021 2.082 1.00 0.00 C ATOM 0 H PHE A 191 -6.853 -3.651 2.829 1.00 0.00 H new ATOM 0 HA PHE A 191 -8.868 -5.452 1.507 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -6.503 -6.249 2.484 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -7.352 -6.157 4.014 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -7.518 -7.634 0.588 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -8.972 -7.808 4.628 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -8.635 -9.794 0.094 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -10.090 -9.967 4.135 1.00 0.00 H new ATOM 0 HZ PHE A 191 -9.918 -10.962 1.867 1.00 0.00 H new ATOM 763 N ARG A 192 -8.883 -3.939 4.430 1.00 0.00 N ATOM 764 CA ARG A 192 -9.794 -3.445 5.495 1.00 0.00 C ATOM 765 C ARG A 192 -10.665 -2.332 4.917 1.00 0.00 C ATOM 766 O ARG A 192 -11.837 -2.216 5.219 1.00 0.00 O ATOM 767 CB ARG A 192 -8.961 -2.886 6.647 1.00 0.00 C ATOM 768 CG ARG A 192 -9.804 -2.857 7.923 1.00 0.00 C ATOM 769 CD ARG A 192 -10.430 -1.471 8.091 1.00 0.00 C ATOM 770 NE ARG A 192 -10.317 -1.046 9.513 1.00 0.00 N ATOM 771 CZ ARG A 192 -9.164 -0.672 9.993 1.00 0.00 C ATOM 772 NH1 ARG A 192 -8.366 -1.551 10.531 1.00 0.00 N ATOM 773 NH2 ARG A 192 -8.807 0.582 9.932 1.00 0.00 N ATOM 0 H ARG A 192 -7.907 -3.661 4.534 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.421 -4.259 5.859 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -8.074 -3.501 6.799 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -8.615 -1.881 6.405 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -10.584 -3.616 7.873 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -9.183 -3.094 8.787 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -9.927 -0.752 7.444 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -11.477 -1.494 7.789 1.00 0.00 H new ATOM 0 HE ARG A 192 -11.142 -1.047 10.112 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -8.644 -2.531 10.576 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -7.464 -1.258 10.907 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -9.430 1.270 9.509 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -7.905 0.874 10.308 1.00 0.00 H new ATOM 787 N MET A 193 -10.087 -1.507 4.091 1.00 0.00 N ATOM 788 CA MET A 193 -10.850 -0.382 3.483 1.00 0.00 C ATOM 789 C MET A 193 -11.658 -0.877 2.281 1.00 0.00 C ATOM 790 O MET A 193 -12.749 -0.409 2.021 1.00 0.00 O ATOM 791 CB MET A 193 -9.868 0.690 3.014 1.00 0.00 C ATOM 792 CG MET A 193 -10.642 1.886 2.456 1.00 0.00 C ATOM 793 SD MET A 193 -9.659 2.689 1.164 1.00 0.00 S ATOM 794 CE MET A 193 -8.177 2.989 2.158 1.00 0.00 C ATOM 0 H MET A 193 -9.109 -1.564 3.808 1.00 0.00 H new ATOM 0 HA MET A 193 -11.533 0.028 4.227 1.00 0.00 H new ATOM 0 HB2 MET A 193 -9.237 1.008 3.844 1.00 0.00 H new ATOM 0 HB3 MET A 193 -9.207 0.283 2.249 1.00 0.00 H new ATOM 0 HG2 MET A 193 -11.598 1.557 2.049 1.00 0.00 H new ATOM 0 HG3 MET A 193 -10.862 2.595 3.254 1.00 0.00 H new ATOM 0 HE1 MET A 193 -7.496 3.639 1.609 1.00 0.00 H new ATOM 0 HE2 MET A 193 -8.459 3.468 3.096 1.00 0.00 H new ATOM 0 HE3 MET A 193 -7.682 2.041 2.369 1.00 0.00 H new ATOM 804 N ARG A 194 -11.132 -1.811 1.537 1.00 0.00 N ATOM 805 CA ARG A 194 -11.877 -2.315 0.348 1.00 0.00 C ATOM 806 C ARG A 194 -12.910 -3.352 0.790 1.00 0.00 C ATOM 807 O ARG A 194 -13.803 -3.710 0.047 1.00 0.00 O ATOM 808 CB ARG A 194 -10.897 -2.949 -0.640 1.00 0.00 C ATOM 809 CG ARG A 194 -9.931 -1.877 -1.156 1.00 0.00 C ATOM 810 CD ARG A 194 -10.304 -1.498 -2.591 1.00 0.00 C ATOM 811 NE ARG A 194 -9.324 -2.107 -3.534 1.00 0.00 N ATOM 812 CZ ARG A 194 -8.843 -1.402 -4.522 1.00 0.00 C ATOM 813 NH1 ARG A 194 -7.879 -0.549 -4.307 1.00 0.00 N ATOM 814 NH2 ARG A 194 -9.324 -1.551 -5.725 1.00 0.00 N ATOM 0 H ARG A 194 -10.223 -2.245 1.699 1.00 0.00 H new ATOM 0 HA ARG A 194 -12.389 -1.484 -0.137 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -10.342 -3.751 -0.154 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -11.440 -3.396 -1.473 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -9.972 -0.997 -0.514 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -8.907 -2.249 -1.122 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -11.311 -1.846 -2.821 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -10.308 -0.414 -2.703 1.00 0.00 H new ATOM 0 HE ARG A 194 -9.029 -3.075 -3.408 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -7.501 -0.433 -3.367 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -7.504 0.002 -5.079 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -10.076 -2.219 -5.894 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -8.948 -1.000 -6.497 1.00 0.00 H new ATOM 828 N GLY A 195 -12.805 -3.832 1.999 1.00 0.00 N ATOM 829 CA GLY A 195 -13.791 -4.838 2.489 1.00 0.00 C ATOM 830 C GLY A 195 -13.208 -6.250 2.379 1.00 0.00 C ATOM 831 O GLY A 195 -12.150 -6.538 2.899 1.00 0.00 O ATOM 0 H GLY A 195 -12.080 -3.572 2.668 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -14.054 -4.625 3.525 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -14.710 -4.770 1.907 1.00 0.00 H new ATOM 835 N SER A 196 -13.896 -7.136 1.712 1.00 0.00 N ATOM 836 CA SER A 196 -13.386 -8.530 1.579 1.00 0.00 C ATOM 837 C SER A 196 -12.521 -8.651 0.323 1.00 0.00 C ATOM 838 O SER A 196 -11.328 -8.872 0.398 1.00 0.00 O ATOM 839 CB SER A 196 -14.567 -9.495 1.474 1.00 0.00 C ATOM 840 OG SER A 196 -15.781 -8.771 1.629 1.00 0.00 O ATOM 0 H SER A 196 -14.789 -6.955 1.254 1.00 0.00 H new ATOM 0 HA SER A 196 -12.785 -8.776 2.455 1.00 0.00 H new ATOM 0 HB2 SER A 196 -14.553 -10.001 0.509 1.00 0.00 H new ATOM 0 HB3 SER A 196 -14.490 -10.267 2.240 1.00 0.00 H new ATOM 0 HG SER A 196 -16.540 -9.387 1.560 1.00 0.00 H new ATOM 846 N ARG A 197 -13.113 -8.516 -0.833 1.00 0.00 N ATOM 847 CA ARG A 197 -12.323 -8.630 -2.091 1.00 0.00 C ATOM 848 C ARG A 197 -11.500 -7.359 -2.303 1.00 0.00 C ATOM 849 O ARG A 197 -11.859 -6.290 -1.849 1.00 0.00 O ATOM 850 CB ARG A 197 -13.272 -8.828 -3.275 1.00 0.00 C ATOM 851 CG ARG A 197 -13.062 -10.221 -3.872 1.00 0.00 C ATOM 852 CD ARG A 197 -13.356 -10.185 -5.373 1.00 0.00 C ATOM 853 NE ARG A 197 -12.699 -11.347 -6.036 1.00 0.00 N ATOM 854 CZ ARG A 197 -13.236 -11.881 -7.100 1.00 0.00 C ATOM 855 NH1 ARG A 197 -14.431 -12.398 -7.038 1.00 0.00 N ATOM 856 NH2 ARG A 197 -12.575 -11.898 -8.226 1.00 0.00 N ATOM 0 H ARG A 197 -14.108 -8.332 -0.960 1.00 0.00 H new ATOM 0 HA ARG A 197 -11.651 -9.485 -2.016 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -14.306 -8.713 -2.949 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -13.090 -8.065 -4.032 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -12.038 -10.551 -3.700 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -13.716 -10.941 -3.380 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -14.432 -10.215 -5.544 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -12.991 -9.253 -5.804 1.00 0.00 H new ATOM 0 HE ARG A 197 -11.830 -11.725 -5.659 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -14.947 -12.386 -6.158 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -14.850 -12.815 -7.869 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -11.640 -11.494 -8.274 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -12.994 -12.315 -9.057 1.00 0.00 H new ATOM 870 N ALA A 198 -10.397 -7.468 -2.990 1.00 0.00 N ATOM 871 CA ALA A 198 -9.542 -6.273 -3.238 1.00 0.00 C ATOM 872 C ALA A 198 -8.237 -6.718 -3.898 1.00 0.00 C ATOM 873 O ALA A 198 -7.796 -7.838 -3.725 1.00 0.00 O ATOM 874 CB ALA A 198 -9.233 -5.583 -1.908 1.00 0.00 C ATOM 0 H ALA A 198 -10.049 -8.338 -3.393 1.00 0.00 H new ATOM 0 HA ALA A 198 -10.065 -5.576 -3.893 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -8.608 -4.709 -2.088 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -10.164 -5.272 -1.435 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -8.707 -6.276 -1.252 1.00 0.00 H new ATOM 880 N LEU A 199 -7.616 -5.859 -4.659 1.00 0.00 N ATOM 881 CA LEU A 199 -6.344 -6.247 -5.330 1.00 0.00 C ATOM 882 C LEU A 199 -5.154 -5.852 -4.452 1.00 0.00 C ATOM 883 O LEU A 199 -4.924 -4.689 -4.185 1.00 0.00 O ATOM 884 CB LEU A 199 -6.240 -5.535 -6.680 1.00 0.00 C ATOM 885 CG LEU A 199 -6.163 -6.575 -7.798 1.00 0.00 C ATOM 886 CD1 LEU A 199 -7.554 -6.784 -8.400 1.00 0.00 C ATOM 887 CD2 LEU A 199 -5.207 -6.083 -8.887 1.00 0.00 C ATOM 0 H LEU A 199 -7.934 -4.908 -4.845 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.335 -7.326 -5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.104 -4.887 -6.830 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -5.356 -4.897 -6.700 1.00 0.00 H new ATOM 0 HG LEU A 199 -5.798 -7.518 -7.391 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -7.498 -7.526 -9.197 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -8.237 -7.134 -7.626 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -7.920 -5.841 -8.807 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -5.152 -6.824 -9.684 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -5.572 -5.140 -9.293 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -4.215 -5.934 -8.460 1.00 0.00 H new ATOM 899 N LEU A 200 -4.394 -6.814 -4.003 1.00 0.00 N ATOM 900 CA LEU A 200 -3.217 -6.498 -3.146 1.00 0.00 C ATOM 901 C LEU A 200 -1.974 -7.174 -3.725 1.00 0.00 C ATOM 902 O LEU A 200 -2.048 -8.248 -4.288 1.00 0.00 O ATOM 903 CB LEU A 200 -3.439 -7.009 -1.714 1.00 0.00 C ATOM 904 CG LEU A 200 -4.766 -7.764 -1.607 1.00 0.00 C ATOM 905 CD1 LEU A 200 -4.723 -8.696 -0.394 1.00 0.00 C ATOM 906 CD2 LEU A 200 -5.904 -6.758 -1.440 1.00 0.00 C ATOM 0 H LEU A 200 -4.538 -7.806 -4.193 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.084 -5.416 -3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.618 -7.665 -1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.436 -6.170 -1.019 1.00 0.00 H new ATOM 0 HG LEU A 200 -4.929 -8.353 -2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.667 -9.235 -0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -3.907 -9.409 -0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -4.564 -8.109 0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.852 -7.290 -1.363 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.742 -6.173 -0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -5.931 -6.092 -2.303 1.00 0.00 H new ATOM 918 N ASN A 201 -0.832 -6.561 -3.584 1.00 0.00 N ATOM 919 CA ASN A 201 0.412 -7.189 -4.126 1.00 0.00 C ATOM 920 C ASN A 201 0.465 -8.643 -3.655 1.00 0.00 C ATOM 921 O ASN A 201 0.959 -9.515 -4.344 1.00 0.00 O ATOM 922 CB ASN A 201 1.670 -6.461 -3.625 1.00 0.00 C ATOM 923 CG ASN A 201 1.331 -5.049 -3.152 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.432 -4.772 -1.886 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 0.973 -4.196 -3.940 1.00 0.00 N flip ATOM 0 H ASN A 201 -0.703 -5.661 -3.122 1.00 0.00 H new ATOM 0 HA ASN A 201 0.389 -7.127 -5.214 1.00 0.00 H new ATOM 0 HB2 ASN A 201 2.120 -7.024 -2.807 1.00 0.00 H new ATOM 0 HB3 ASN A 201 2.410 -6.413 -4.424 1.00 0.00 H new ATOM 0 HD21 ASN A 201 0.895 -4.419 -4.932 1.00 0.00 H new ATOM 0 HD22 ASN A 201 0.750 -3.257 -3.609 1.00 0.00 H new ATOM 932 N PHE A 202 -0.047 -8.910 -2.483 1.00 0.00 N ATOM 933 CA PHE A 202 -0.034 -10.305 -1.960 1.00 0.00 C ATOM 934 C PHE A 202 -1.472 -10.754 -1.688 1.00 0.00 C ATOM 935 O PHE A 202 -1.951 -10.649 -0.576 1.00 0.00 O ATOM 936 CB PHE A 202 0.766 -10.360 -0.656 1.00 0.00 C ATOM 937 CG PHE A 202 2.079 -9.638 -0.826 1.00 0.00 C ATOM 938 CD1 PHE A 202 2.741 -9.669 -2.059 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.636 -8.942 0.253 1.00 0.00 C ATOM 940 CE1 PHE A 202 3.964 -9.003 -2.212 1.00 0.00 C ATOM 941 CE2 PHE A 202 3.858 -8.276 0.101 1.00 0.00 C ATOM 942 CZ PHE A 202 4.523 -8.306 -1.132 1.00 0.00 C ATOM 0 H PHE A 202 -0.474 -8.220 -1.865 1.00 0.00 H new ATOM 0 HA PHE A 202 0.428 -10.963 -2.696 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.193 -9.904 0.151 1.00 0.00 H new ATOM 0 HB3 PHE A 202 0.946 -11.397 -0.373 1.00 0.00 H new ATOM 0 HD1 PHE A 202 2.310 -10.206 -2.891 1.00 0.00 H new ATOM 0 HD2 PHE A 202 2.123 -8.919 1.203 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.476 -9.027 -3.162 1.00 0.00 H new ATOM 0 HE2 PHE A 202 4.288 -7.739 0.934 1.00 0.00 H new ATOM 0 HZ PHE A 202 5.466 -7.792 -1.250 1.00 0.00 H new ATOM 952 N PRO A 203 -2.118 -11.245 -2.713 1.00 0.00 N ATOM 953 CA PRO A 203 -3.508 -11.723 -2.620 1.00 0.00 C ATOM 954 C PRO A 203 -3.548 -13.101 -1.955 1.00 0.00 C ATOM 955 O PRO A 203 -3.098 -14.083 -2.512 1.00 0.00 O ATOM 956 CB PRO A 203 -3.959 -11.803 -4.081 1.00 0.00 C ATOM 957 CG PRO A 203 -2.670 -11.914 -4.930 1.00 0.00 C ATOM 958 CD PRO A 203 -1.522 -11.372 -4.058 1.00 0.00 C ATOM 0 HA PRO A 203 -4.149 -11.077 -2.020 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -4.605 -12.666 -4.241 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -4.533 -10.919 -4.359 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -2.483 -12.949 -5.218 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -2.762 -11.339 -5.851 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -0.670 -12.052 -4.054 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -1.161 -10.412 -4.426 1.00 0.00 H new