USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 459 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 156 LYS NZ :NH3+ 162:sc=-0.00706 (180deg=-0.0768) 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=0.094) USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 180:sc= -1.4 USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 193 MET CE :methyl -155:sc= -3.53! (180deg=-5.87!) USER MOD Single : A 196 SER OG : rot 180:sc= 0 USER MOD Single : A 201 ASN :FLIP amide:sc= -2.95! C(o=-8.4!,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.579 -3.018 -6.472 1.00 0.00 N ATOM 41 CA TYR A 146 4.240 -3.421 -5.958 1.00 0.00 C ATOM 42 C TYR A 146 3.242 -2.285 -6.193 1.00 0.00 C ATOM 43 O TYR A 146 3.616 -1.141 -6.352 1.00 0.00 O ATOM 44 CB TYR A 146 4.331 -3.712 -4.459 1.00 0.00 C ATOM 45 CG TYR A 146 5.174 -4.940 -4.230 1.00 0.00 C ATOM 46 CD1 TYR A 146 4.981 -6.078 -5.020 1.00 0.00 C ATOM 47 CD2 TYR A 146 6.139 -4.944 -3.215 1.00 0.00 C ATOM 48 CE1 TYR A 146 5.756 -7.222 -4.798 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.911 -6.088 -2.990 1.00 0.00 C ATOM 50 CZ TYR A 146 6.721 -7.229 -3.782 1.00 0.00 C ATOM 51 OH TYR A 146 7.483 -8.357 -3.561 1.00 0.00 O ATOM 0 HA TYR A 146 3.907 -4.317 -6.482 1.00 0.00 H new ATOM 0 HB2 TYR A 146 4.766 -2.858 -3.939 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.333 -3.862 -4.047 1.00 0.00 H new ATOM 0 HD1 TYR A 146 4.235 -6.074 -5.801 1.00 0.00 H new ATOM 0 HD2 TYR A 146 6.287 -4.064 -2.606 1.00 0.00 H new ATOM 0 HE1 TYR A 146 5.610 -8.100 -5.410 1.00 0.00 H new ATOM 0 HE2 TYR A 146 7.654 -6.093 -2.206 1.00 0.00 H new ATOM 0 HH TYR A 146 8.104 -8.192 -2.821 1.00 0.00 H new ATOM 61 N ARG A 147 1.976 -2.594 -6.214 1.00 0.00 N ATOM 62 CA ARG A 147 0.953 -1.534 -6.438 1.00 0.00 C ATOM 63 C ARG A 147 0.773 -0.718 -5.156 1.00 0.00 C ATOM 64 O ARG A 147 -0.092 -0.997 -4.349 1.00 0.00 O ATOM 65 CB ARG A 147 -0.376 -2.189 -6.817 1.00 0.00 C ATOM 66 CG ARG A 147 -0.124 -3.289 -7.850 1.00 0.00 C ATOM 67 CD ARG A 147 -1.092 -3.122 -9.022 1.00 0.00 C ATOM 68 NE ARG A 147 -1.868 -4.381 -9.205 1.00 0.00 N ATOM 69 CZ ARG A 147 -1.293 -5.431 -9.723 1.00 0.00 C ATOM 70 NH1 ARG A 147 -0.796 -5.373 -10.928 1.00 0.00 N ATOM 71 NH2 ARG A 147 -1.215 -6.538 -9.037 1.00 0.00 N ATOM 0 H ARG A 147 1.605 -3.535 -6.086 1.00 0.00 H new ATOM 0 HA ARG A 147 1.279 -0.875 -7.243 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.853 -2.609 -5.931 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -1.059 -1.443 -7.223 1.00 0.00 H new ATOM 0 HG2 ARG A 147 0.905 -3.240 -8.205 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.257 -4.269 -7.392 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -1.769 -2.289 -8.833 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -0.541 -2.886 -9.932 1.00 0.00 H new ATOM 0 HE ARG A 147 -2.848 -4.422 -8.925 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -0.857 -4.507 -11.464 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -0.346 -6.193 -11.334 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -1.604 -6.583 -8.095 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -0.765 -7.359 -9.443 1.00 0.00 H new ATOM 85 N GLY A 148 1.580 0.290 -4.962 1.00 0.00 N ATOM 86 CA GLY A 148 1.449 1.122 -3.731 1.00 0.00 C ATOM 87 C GLY A 148 2.808 1.239 -3.039 1.00 0.00 C ATOM 88 O GLY A 148 3.033 2.128 -2.242 1.00 0.00 O ATOM 0 H GLY A 148 2.323 0.573 -5.601 1.00 0.00 H new ATOM 0 HA2 GLY A 148 1.075 2.113 -3.989 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.723 0.673 -3.053 1.00 0.00 H new ATOM 92 N VAL A 149 3.717 0.349 -3.333 1.00 0.00 N ATOM 93 CA VAL A 149 5.057 0.414 -2.685 1.00 0.00 C ATOM 94 C VAL A 149 5.995 1.275 -3.529 1.00 0.00 C ATOM 95 O VAL A 149 6.340 0.927 -4.642 1.00 0.00 O ATOM 96 CB VAL A 149 5.639 -0.994 -2.565 1.00 0.00 C ATOM 97 CG1 VAL A 149 6.969 -0.939 -1.813 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.661 -1.884 -1.799 1.00 0.00 C ATOM 0 H VAL A 149 3.589 -0.419 -3.993 1.00 0.00 H new ATOM 0 HA VAL A 149 4.953 0.852 -1.692 1.00 0.00 H new ATOM 0 HB VAL A 149 5.803 -1.403 -3.562 1.00 0.00 H new ATOM 0 HG11 VAL A 149 7.381 -1.944 -1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.668 -0.304 -2.357 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.807 -0.529 -0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 149 5.075 -2.889 -1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 149 4.497 -1.472 -0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.712 -1.927 -2.334 1.00 0.00 H new ATOM 108 N ARG A 150 6.416 2.391 -3.007 1.00 0.00 N ATOM 109 CA ARG A 150 7.340 3.268 -3.775 1.00 0.00 C ATOM 110 C ARG A 150 8.767 3.042 -3.278 1.00 0.00 C ATOM 111 O ARG A 150 9.097 3.347 -2.149 1.00 0.00 O ATOM 112 CB ARG A 150 6.949 4.732 -3.562 1.00 0.00 C ATOM 113 CG ARG A 150 5.519 4.956 -4.057 1.00 0.00 C ATOM 114 CD ARG A 150 5.397 6.363 -4.640 1.00 0.00 C ATOM 115 NE ARG A 150 5.909 6.369 -6.040 1.00 0.00 N ATOM 116 CZ ARG A 150 7.046 6.945 -6.316 1.00 0.00 C ATOM 117 NH1 ARG A 150 7.350 8.087 -5.761 1.00 0.00 N ATOM 118 NH2 ARG A 150 7.880 6.381 -7.146 1.00 0.00 N ATOM 0 H ARG A 150 6.160 2.734 -2.081 1.00 0.00 H new ATOM 0 HA ARG A 150 7.278 3.031 -4.837 1.00 0.00 H new ATOM 0 HB2 ARG A 150 7.024 4.989 -2.505 1.00 0.00 H new ATOM 0 HB3 ARG A 150 7.637 5.385 -4.099 1.00 0.00 H new ATOM 0 HG2 ARG A 150 5.264 4.214 -4.814 1.00 0.00 H new ATOM 0 HG3 ARG A 150 4.814 4.829 -3.235 1.00 0.00 H new ATOM 0 HD2 ARG A 150 4.356 6.687 -4.621 1.00 0.00 H new ATOM 0 HD3 ARG A 150 5.962 7.070 -4.032 1.00 0.00 H new ATOM 0 HE ARG A 150 5.370 5.923 -6.782 1.00 0.00 H new ATOM 0 HH11 ARG A 150 6.698 8.528 -5.112 1.00 0.00 H new ATOM 0 HH12 ARG A 150 8.239 8.538 -5.976 1.00 0.00 H new ATOM 0 HH21 ARG A 150 7.643 5.489 -7.580 1.00 0.00 H new ATOM 0 HH22 ARG A 150 8.769 6.832 -7.361 1.00 0.00 H new ATOM 132 N GLN A 151 9.616 2.504 -4.109 1.00 0.00 N ATOM 133 CA GLN A 151 11.018 2.256 -3.678 1.00 0.00 C ATOM 134 C GLN A 151 11.803 3.567 -3.732 1.00 0.00 C ATOM 135 O GLN A 151 11.470 4.472 -4.470 1.00 0.00 O ATOM 136 CB GLN A 151 11.662 1.225 -4.606 1.00 0.00 C ATOM 137 CG GLN A 151 11.935 1.861 -5.972 1.00 0.00 C ATOM 138 CD GLN A 151 12.590 0.830 -6.893 1.00 0.00 C ATOM 139 OE1 GLN A 151 13.792 0.650 -6.864 1.00 0.00 O ATOM 140 NE2 GLN A 151 11.847 0.140 -7.714 1.00 0.00 N ATOM 0 H GLN A 151 9.399 2.226 -5.066 1.00 0.00 H new ATOM 0 HA GLN A 151 11.027 1.873 -2.658 1.00 0.00 H new ATOM 0 HB2 GLN A 151 12.593 0.861 -4.171 1.00 0.00 H new ATOM 0 HB3 GLN A 151 11.005 0.363 -4.720 1.00 0.00 H new ATOM 0 HG2 GLN A 151 11.004 2.217 -6.412 1.00 0.00 H new ATOM 0 HG3 GLN A 151 12.586 2.728 -5.858 1.00 0.00 H new ATOM 0 HE21 GLN A 151 10.839 0.291 -7.739 1.00 0.00 H new ATOM 0 HE22 GLN A 151 12.275 -0.550 -8.331 1.00 0.00 H new ATOM 149 N ARG A 152 12.839 3.679 -2.949 1.00 0.00 N ATOM 150 CA ARG A 152 13.640 4.934 -2.950 1.00 0.00 C ATOM 151 C ARG A 152 15.075 4.631 -3.387 1.00 0.00 C ATOM 152 O ARG A 152 15.435 3.486 -3.575 1.00 0.00 O ATOM 153 CB ARG A 152 13.649 5.526 -1.540 1.00 0.00 C ATOM 154 CG ARG A 152 12.831 6.819 -1.526 1.00 0.00 C ATOM 155 CD ARG A 152 12.739 7.348 -0.094 1.00 0.00 C ATOM 156 NE ARG A 152 13.646 8.520 0.060 1.00 0.00 N ATOM 157 CZ ARG A 152 13.372 9.446 0.940 1.00 0.00 C ATOM 158 NH1 ARG A 152 12.151 9.888 1.064 1.00 0.00 N ATOM 159 NH2 ARG A 152 14.322 9.928 1.693 1.00 0.00 N ATOM 0 H ARG A 152 13.166 2.956 -2.308 1.00 0.00 H new ATOM 0 HA ARG A 152 13.197 5.647 -3.645 1.00 0.00 H new ATOM 0 HB2 ARG A 152 13.232 4.811 -0.831 1.00 0.00 H new ATOM 0 HB3 ARG A 152 14.673 5.727 -1.225 1.00 0.00 H new ATOM 0 HG2 ARG A 152 13.297 7.564 -2.171 1.00 0.00 H new ATOM 0 HG3 ARG A 152 11.832 6.635 -1.922 1.00 0.00 H new ATOM 0 HD2 ARG A 152 11.713 7.636 0.134 1.00 0.00 H new ATOM 0 HD3 ARG A 152 13.015 6.565 0.613 1.00 0.00 H new ATOM 0 HE ARG A 152 14.480 8.599 -0.521 1.00 0.00 H new ATOM 0 HH11 ARG A 152 11.410 9.511 0.474 1.00 0.00 H new ATOM 0 HH12 ARG A 152 11.938 10.611 1.751 1.00 0.00 H new ATOM 0 HH21 ARG A 152 15.276 9.582 1.594 1.00 0.00 H new ATOM 0 HH22 ARG A 152 14.110 10.651 2.381 1.00 0.00 H new ATOM 173 N PRO A 153 15.852 5.673 -3.538 1.00 0.00 N ATOM 174 CA PRO A 153 17.260 5.560 -3.955 1.00 0.00 C ATOM 175 C PRO A 153 18.135 5.118 -2.777 1.00 0.00 C ATOM 176 O PRO A 153 18.937 4.213 -2.894 1.00 0.00 O ATOM 177 CB PRO A 153 17.617 6.982 -4.401 1.00 0.00 C ATOM 178 CG PRO A 153 16.612 7.926 -3.698 1.00 0.00 C ATOM 179 CD PRO A 153 15.399 7.061 -3.307 1.00 0.00 C ATOM 0 HA PRO A 153 17.417 4.821 -4.740 1.00 0.00 H new ATOM 0 HB2 PRO A 153 18.642 7.230 -4.124 1.00 0.00 H new ATOM 0 HB3 PRO A 153 17.547 7.078 -5.485 1.00 0.00 H new ATOM 0 HG2 PRO A 153 17.061 8.384 -2.817 1.00 0.00 H new ATOM 0 HG3 PRO A 153 16.312 8.737 -4.362 1.00 0.00 H new ATOM 0 HD2 PRO A 153 15.116 7.219 -2.266 1.00 0.00 H new ATOM 0 HD3 PRO A 153 14.526 7.301 -3.915 1.00 0.00 H new ATOM 187 N TRP A 154 17.986 5.747 -1.643 1.00 0.00 N ATOM 188 CA TRP A 154 18.808 5.359 -0.462 1.00 0.00 C ATOM 189 C TRP A 154 18.599 3.875 -0.159 1.00 0.00 C ATOM 190 O TRP A 154 19.518 3.082 -0.224 1.00 0.00 O ATOM 191 CB TRP A 154 18.384 6.192 0.751 1.00 0.00 C ATOM 192 CG TRP A 154 19.579 6.474 1.604 1.00 0.00 C ATOM 193 CD1 TRP A 154 20.336 5.533 2.216 1.00 0.00 C ATOM 194 CD2 TRP A 154 20.167 7.761 1.951 1.00 0.00 C ATOM 195 NE1 TRP A 154 21.351 6.161 2.916 1.00 0.00 N ATOM 196 CE2 TRP A 154 21.289 7.534 2.784 1.00 0.00 C ATOM 197 CE3 TRP A 154 19.838 9.092 1.628 1.00 0.00 C ATOM 198 CZ2 TRP A 154 22.058 8.591 3.277 1.00 0.00 C ATOM 199 CZ3 TRP A 154 20.609 10.157 2.123 1.00 0.00 C ATOM 200 CH2 TRP A 154 21.717 9.906 2.946 1.00 0.00 C ATOM 0 H TRP A 154 17.331 6.512 -1.484 1.00 0.00 H new ATOM 0 HA TRP A 154 19.861 5.540 -0.678 1.00 0.00 H new ATOM 0 HB2 TRP A 154 17.929 7.127 0.423 1.00 0.00 H new ATOM 0 HB3 TRP A 154 17.630 5.656 1.328 1.00 0.00 H new ATOM 0 HD1 TRP A 154 20.174 4.466 2.166 1.00 0.00 H new ATOM 0 HE1 TRP A 154 22.058 5.670 3.463 1.00 0.00 H new ATOM 0 HE3 TRP A 154 18.987 9.295 0.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 22.911 8.394 3.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 20.348 11.174 1.869 1.00 0.00 H new ATOM 0 HH2 TRP A 154 22.306 10.728 3.324 1.00 0.00 H new ATOM 211 N GLY A 155 17.396 3.490 0.171 1.00 0.00 N ATOM 212 CA GLY A 155 17.129 2.057 0.479 1.00 0.00 C ATOM 213 C GLY A 155 15.871 1.944 1.343 1.00 0.00 C ATOM 214 O GLY A 155 15.880 1.327 2.389 1.00 0.00 O ATOM 0 H GLY A 155 16.587 4.107 0.240 1.00 0.00 H new ATOM 0 HA2 GLY A 155 17.000 1.494 -0.445 1.00 0.00 H new ATOM 0 HA3 GLY A 155 17.981 1.622 1.001 1.00 0.00 H new ATOM 218 N LYS A 156 14.789 2.536 0.915 1.00 0.00 N ATOM 219 CA LYS A 156 13.534 2.462 1.715 1.00 0.00 C ATOM 220 C LYS A 156 12.334 2.312 0.778 1.00 0.00 C ATOM 221 O LYS A 156 12.461 2.388 -0.428 1.00 0.00 O ATOM 222 CB LYS A 156 13.378 3.744 2.539 1.00 0.00 C ATOM 223 CG LYS A 156 14.309 3.686 3.751 1.00 0.00 C ATOM 224 CD LYS A 156 13.491 3.858 5.033 1.00 0.00 C ATOM 225 CE LYS A 156 13.680 2.632 5.927 1.00 0.00 C ATOM 226 NZ LYS A 156 15.079 2.601 6.439 1.00 0.00 N ATOM 0 H LYS A 156 14.720 3.067 0.047 1.00 0.00 H new ATOM 0 HA LYS A 156 13.582 1.601 2.382 1.00 0.00 H new ATOM 0 HB2 LYS A 156 13.614 4.614 1.926 1.00 0.00 H new ATOM 0 HB3 LYS A 156 12.344 3.856 2.866 1.00 0.00 H new ATOM 0 HG2 LYS A 156 14.839 2.734 3.770 1.00 0.00 H new ATOM 0 HG3 LYS A 156 15.064 4.469 3.681 1.00 0.00 H new ATOM 0 HD2 LYS A 156 13.807 4.758 5.560 1.00 0.00 H new ATOM 0 HD3 LYS A 156 12.436 3.985 4.790 1.00 0.00 H new ATOM 0 HE2 LYS A 156 12.977 2.664 6.760 1.00 0.00 H new ATOM 0 HE3 LYS A 156 13.467 1.723 5.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 15.133 1.970 7.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 15.714 2.251 5.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 15.368 3.560 6.717 1.00 0.00 H new ATOM 240 N PHE A 157 11.168 2.101 1.324 1.00 0.00 N ATOM 241 CA PHE A 157 9.957 1.948 0.470 1.00 0.00 C ATOM 242 C PHE A 157 8.789 2.690 1.121 1.00 0.00 C ATOM 243 O PHE A 157 8.908 3.212 2.212 1.00 0.00 O ATOM 244 CB PHE A 157 9.606 0.465 0.340 1.00 0.00 C ATOM 245 CG PHE A 157 10.620 -0.222 -0.541 1.00 0.00 C ATOM 246 CD1 PHE A 157 11.832 -0.667 0.003 1.00 0.00 C ATOM 247 CD2 PHE A 157 10.350 -0.416 -1.903 1.00 0.00 C ATOM 248 CE1 PHE A 157 12.773 -1.307 -0.813 1.00 0.00 C ATOM 249 CE2 PHE A 157 11.292 -1.056 -2.718 1.00 0.00 C ATOM 250 CZ PHE A 157 12.503 -1.502 -2.174 1.00 0.00 C ATOM 0 H PHE A 157 11.002 2.028 2.328 1.00 0.00 H new ATOM 0 HA PHE A 157 10.152 2.361 -0.520 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.589 -0.002 1.325 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.608 0.353 -0.083 1.00 0.00 H new ATOM 0 HD1 PHE A 157 12.041 -0.516 1.052 1.00 0.00 H new ATOM 0 HD2 PHE A 157 9.416 -0.072 -2.323 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.707 -1.650 -0.393 1.00 0.00 H new ATOM 0 HE2 PHE A 157 11.084 -1.206 -3.767 1.00 0.00 H new ATOM 0 HZ PHE A 157 13.228 -1.996 -2.803 1.00 0.00 H new ATOM 260 N ALA A 158 7.661 2.745 0.467 1.00 0.00 N ATOM 261 CA ALA A 158 6.497 3.458 1.066 1.00 0.00 C ATOM 262 C ALA A 158 5.193 2.771 0.658 1.00 0.00 C ATOM 263 O ALA A 158 4.779 2.830 -0.483 1.00 0.00 O ATOM 264 CB ALA A 158 6.480 4.909 0.581 1.00 0.00 C ATOM 0 H ALA A 158 7.495 2.330 -0.450 1.00 0.00 H new ATOM 0 HA ALA A 158 6.588 3.435 2.152 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.629 5.429 1.020 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.403 5.404 0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.397 4.928 -0.506 1.00 0.00 H new ATOM 270 N ALA A 159 4.534 2.134 1.588 1.00 0.00 N ATOM 271 CA ALA A 159 3.247 1.460 1.261 1.00 0.00 C ATOM 272 C ALA A 159 2.136 2.510 1.247 1.00 0.00 C ATOM 273 O ALA A 159 1.936 3.226 2.209 1.00 0.00 O ATOM 274 CB ALA A 159 2.940 0.399 2.320 1.00 0.00 C ATOM 0 H ALA A 159 4.832 2.052 2.560 1.00 0.00 H new ATOM 0 HA ALA A 159 3.315 0.978 0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 159 1.998 -0.093 2.079 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.741 -0.340 2.338 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.862 0.873 3.298 1.00 0.00 H new ATOM 280 N GLU A 160 1.418 2.620 0.164 1.00 0.00 N ATOM 281 CA GLU A 160 0.331 3.638 0.098 1.00 0.00 C ATOM 282 C GLU A 160 -0.828 3.104 -0.745 1.00 0.00 C ATOM 283 O GLU A 160 -0.671 2.189 -1.529 1.00 0.00 O ATOM 284 CB GLU A 160 0.881 4.920 -0.535 1.00 0.00 C ATOM 285 CG GLU A 160 2.345 5.102 -0.129 1.00 0.00 C ATOM 286 CD GLU A 160 2.858 6.446 -0.649 1.00 0.00 C ATOM 287 OE1 GLU A 160 2.066 7.372 -0.723 1.00 0.00 O ATOM 288 OE2 GLU A 160 4.034 6.528 -0.963 1.00 0.00 O ATOM 0 H GLU A 160 1.536 2.052 -0.675 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.030 3.851 1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 160 0.797 4.867 -1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 160 0.293 5.779 -0.212 1.00 0.00 H new ATOM 0 HG2 GLU A 160 2.440 5.060 0.956 1.00 0.00 H new ATOM 0 HG3 GLU A 160 2.949 4.290 -0.533 1.00 0.00 H new ATOM 295 N ILE A 161 -1.992 3.671 -0.589 1.00 0.00 N ATOM 296 CA ILE A 161 -3.166 3.206 -1.378 1.00 0.00 C ATOM 297 C ILE A 161 -4.112 4.386 -1.615 1.00 0.00 C ATOM 298 O ILE A 161 -4.225 5.274 -0.794 1.00 0.00 O ATOM 299 CB ILE A 161 -3.901 2.111 -0.600 1.00 0.00 C ATOM 300 CG1 ILE A 161 -5.143 1.676 -1.383 1.00 0.00 C ATOM 301 CG2 ILE A 161 -4.325 2.652 0.767 1.00 0.00 C ATOM 302 CD1 ILE A 161 -5.979 0.726 -0.525 1.00 0.00 C ATOM 0 H ILE A 161 -2.181 4.440 0.054 1.00 0.00 H new ATOM 0 HA ILE A 161 -2.831 2.807 -2.335 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.239 1.256 -0.463 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -5.735 2.548 -1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -4.848 1.183 -2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.848 1.872 1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.442 2.963 1.325 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -4.987 3.507 0.630 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -6.863 0.416 -1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.385 -0.151 -0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.286 1.235 0.389 1.00 0.00 H new ATOM 314 N ARG A 162 -4.788 4.409 -2.730 1.00 0.00 N ATOM 315 CA ARG A 162 -5.718 5.541 -3.007 1.00 0.00 C ATOM 316 C ARG A 162 -7.145 5.139 -2.625 1.00 0.00 C ATOM 317 O ARG A 162 -7.589 4.044 -2.908 1.00 0.00 O ATOM 318 CB ARG A 162 -5.650 5.911 -4.498 1.00 0.00 C ATOM 319 CG ARG A 162 -6.564 4.994 -5.317 1.00 0.00 C ATOM 320 CD ARG A 162 -6.239 5.146 -6.804 1.00 0.00 C ATOM 321 NE ARG A 162 -5.503 3.942 -7.280 1.00 0.00 N ATOM 322 CZ ARG A 162 -5.921 2.750 -6.949 1.00 0.00 C ATOM 323 NH1 ARG A 162 -6.858 2.169 -7.649 1.00 0.00 N ATOM 324 NH2 ARG A 162 -5.404 2.140 -5.919 1.00 0.00 N ATOM 0 H ARG A 162 -4.738 3.697 -3.459 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.425 6.408 -2.414 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -5.949 6.950 -4.636 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.624 5.825 -4.854 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -6.428 3.958 -5.008 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -7.608 5.247 -5.134 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -7.158 5.273 -7.376 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -5.637 6.040 -6.965 1.00 0.00 H new ATOM 0 HE ARG A 162 -4.673 4.048 -7.864 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -7.263 2.646 -8.454 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -7.185 1.238 -7.391 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -4.673 2.594 -5.372 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -5.731 1.209 -5.661 1.00 0.00 H new ATOM 338 N ASP A 163 -7.866 6.020 -1.990 1.00 0.00 N ATOM 339 CA ASP A 163 -9.264 5.694 -1.594 1.00 0.00 C ATOM 340 C ASP A 163 -10.215 6.724 -2.214 1.00 0.00 C ATOM 341 O ASP A 163 -10.166 7.887 -1.868 1.00 0.00 O ATOM 342 CB ASP A 163 -9.387 5.745 -0.070 1.00 0.00 C ATOM 343 CG ASP A 163 -10.715 5.118 0.356 1.00 0.00 C ATOM 344 OD1 ASP A 163 -11.619 5.077 -0.462 1.00 0.00 O ATOM 345 OD2 ASP A 163 -10.807 4.688 1.495 1.00 0.00 O ATOM 0 H ASP A 163 -7.547 6.953 -1.728 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.521 4.695 -1.946 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -8.556 5.211 0.391 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -9.333 6.777 0.275 1.00 0.00 H new ATOM 350 N PRO A 164 -11.056 6.271 -3.112 1.00 0.00 N ATOM 351 CA PRO A 164 -12.030 7.143 -3.789 1.00 0.00 C ATOM 352 C PRO A 164 -13.200 7.453 -2.855 1.00 0.00 C ATOM 353 O PRO A 164 -13.749 8.537 -2.868 1.00 0.00 O ATOM 354 CB PRO A 164 -12.483 6.312 -4.993 1.00 0.00 C ATOM 355 CG PRO A 164 -12.190 4.836 -4.639 1.00 0.00 C ATOM 356 CD PRO A 164 -11.119 4.855 -3.532 1.00 0.00 C ATOM 0 HA PRO A 164 -11.617 8.108 -4.084 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -13.545 6.461 -5.190 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -11.947 6.609 -5.894 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -13.094 4.333 -4.295 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -11.834 4.291 -5.513 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -11.394 4.205 -2.701 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -10.155 4.507 -3.904 1.00 0.00 H new ATOM 364 N ALA A 165 -13.580 6.511 -2.037 1.00 0.00 N ATOM 365 CA ALA A 165 -14.705 6.752 -1.096 1.00 0.00 C ATOM 366 C ALA A 165 -14.302 7.843 -0.103 1.00 0.00 C ATOM 367 O ALA A 165 -15.133 8.440 0.554 1.00 0.00 O ATOM 368 CB ALA A 165 -15.025 5.462 -0.336 1.00 0.00 C ATOM 0 H ALA A 165 -13.158 5.584 -1.981 1.00 0.00 H new ATOM 0 HA ALA A 165 -15.587 7.069 -1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -15.850 5.641 0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -15.306 4.683 -1.044 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -14.147 5.143 0.225 1.00 0.00 H new ATOM 374 N LYS A 166 -13.028 8.108 0.009 1.00 0.00 N ATOM 375 CA LYS A 166 -12.562 9.160 0.955 1.00 0.00 C ATOM 376 C LYS A 166 -12.424 10.489 0.210 1.00 0.00 C ATOM 377 O LYS A 166 -11.495 11.241 0.427 1.00 0.00 O ATOM 378 CB LYS A 166 -11.203 8.759 1.532 1.00 0.00 C ATOM 379 CG LYS A 166 -11.371 7.536 2.436 1.00 0.00 C ATOM 380 CD LYS A 166 -11.960 7.972 3.778 1.00 0.00 C ATOM 381 CE LYS A 166 -12.113 6.751 4.687 1.00 0.00 C ATOM 382 NZ LYS A 166 -13.560 6.486 4.921 1.00 0.00 N ATOM 0 H LYS A 166 -12.289 7.640 -0.516 1.00 0.00 H new ATOM 0 HA LYS A 166 -13.285 9.268 1.764 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -10.506 8.534 0.725 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -10.778 9.587 2.099 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -12.025 6.805 1.960 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -10.408 7.049 2.590 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -11.312 8.711 4.249 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -12.928 8.449 3.625 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -11.642 5.881 4.228 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -11.606 6.925 5.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -13.665 5.656 5.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -13.995 7.314 5.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -14.031 6.303 4.012 1.00 0.00 H new ATOM 396 N ASN A 167 -13.341 10.784 -0.671 1.00 0.00 N ATOM 397 CA ASN A 167 -13.260 12.062 -1.430 1.00 0.00 C ATOM 398 C ASN A 167 -12.008 12.053 -2.312 1.00 0.00 C ATOM 399 O ASN A 167 -11.417 13.080 -2.578 1.00 0.00 O ATOM 400 CB ASN A 167 -13.186 13.234 -0.449 1.00 0.00 C ATOM 401 CG ASN A 167 -14.064 14.380 -0.954 1.00 0.00 C ATOM 402 OD1 ASN A 167 -13.782 14.972 -1.977 1.00 0.00 O ATOM 403 ND2 ASN A 167 -15.126 14.719 -0.276 1.00 0.00 N ATOM 0 H ASN A 167 -14.142 10.195 -0.897 1.00 0.00 H new ATOM 0 HA ASN A 167 -14.145 12.169 -2.057 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -13.518 12.916 0.539 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -12.154 13.571 -0.346 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -15.719 15.481 -0.605 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -15.363 14.222 0.583 1.00 0.00 H new ATOM 410 N GLY A 168 -11.602 10.899 -2.767 1.00 0.00 N ATOM 411 CA GLY A 168 -10.389 10.823 -3.631 1.00 0.00 C ATOM 412 C GLY A 168 -9.176 11.345 -2.858 1.00 0.00 C ATOM 413 O GLY A 168 -8.568 12.328 -3.230 1.00 0.00 O ATOM 0 H GLY A 168 -12.057 10.006 -2.578 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -10.217 9.793 -3.945 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -10.537 11.412 -4.536 1.00 0.00 H new ATOM 417 N ALA A 169 -8.821 10.695 -1.784 1.00 0.00 N ATOM 418 CA ALA A 169 -7.648 11.156 -0.987 1.00 0.00 C ATOM 419 C ALA A 169 -6.586 10.054 -0.957 1.00 0.00 C ATOM 420 O ALA A 169 -6.886 8.885 -1.100 1.00 0.00 O ATOM 421 CB ALA A 169 -8.095 11.473 0.441 1.00 0.00 C ATOM 0 H ALA A 169 -9.292 9.865 -1.424 1.00 0.00 H new ATOM 0 HA ALA A 169 -7.228 12.052 -1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -7.238 11.810 1.024 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -8.851 12.258 0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -8.515 10.577 0.898 1.00 0.00 H new ATOM 427 N ARG A 170 -5.346 10.417 -0.774 1.00 0.00 N ATOM 428 CA ARG A 170 -4.266 9.391 -0.735 1.00 0.00 C ATOM 429 C ARG A 170 -4.157 8.813 0.677 1.00 0.00 C ATOM 430 O ARG A 170 -4.630 9.393 1.634 1.00 0.00 O ATOM 431 CB ARG A 170 -2.934 10.037 -1.120 1.00 0.00 C ATOM 432 CG ARG A 170 -3.027 10.591 -2.543 1.00 0.00 C ATOM 433 CD ARG A 170 -1.714 11.286 -2.904 1.00 0.00 C ATOM 434 NE ARG A 170 -0.866 10.359 -3.705 1.00 0.00 N ATOM 435 CZ ARG A 170 0.267 10.773 -4.200 1.00 0.00 C ATOM 436 NH1 ARG A 170 0.518 12.052 -4.273 1.00 0.00 N ATOM 437 NH2 ARG A 170 1.149 9.911 -4.622 1.00 0.00 N ATOM 0 H ARG A 170 -5.034 11.380 -0.650 1.00 0.00 H new ATOM 0 HA ARG A 170 -4.503 8.592 -1.438 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -2.691 10.838 -0.422 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -2.130 9.304 -1.056 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -3.229 9.784 -3.247 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -3.856 11.295 -2.618 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -1.915 12.194 -3.472 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -1.188 11.586 -1.998 1.00 0.00 H new ATOM 0 HE ARG A 170 -1.172 9.399 -3.866 1.00 0.00 H new ATOM 0 HH11 ARG A 170 -0.172 12.727 -3.943 1.00 0.00 H new ATOM 0 HH12 ARG A 170 1.404 12.377 -4.660 1.00 0.00 H new ATOM 0 HH21 ARG A 170 0.953 8.912 -4.565 1.00 0.00 H new ATOM 0 HH22 ARG A 170 2.035 10.236 -5.009 1.00 0.00 H new ATOM 451 N VAL A 171 -3.533 7.674 0.814 1.00 0.00 N ATOM 452 CA VAL A 171 -3.390 7.060 2.163 1.00 0.00 C ATOM 453 C VAL A 171 -1.972 6.513 2.325 1.00 0.00 C ATOM 454 O VAL A 171 -1.677 5.400 1.935 1.00 0.00 O ATOM 455 CB VAL A 171 -4.398 5.920 2.315 1.00 0.00 C ATOM 456 CG1 VAL A 171 -4.109 5.156 3.608 1.00 0.00 C ATOM 457 CG2 VAL A 171 -5.813 6.498 2.371 1.00 0.00 C ATOM 0 H VAL A 171 -3.116 7.143 0.049 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.578 7.814 2.927 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.314 5.243 1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.826 4.343 3.718 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -3.099 4.747 3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -4.195 5.833 4.458 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.533 5.687 2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -5.897 7.174 3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -6.019 7.046 1.451 1.00 0.00 H new ATOM 467 N TRP A 172 -1.093 7.285 2.899 1.00 0.00 N ATOM 468 CA TRP A 172 0.307 6.811 3.088 1.00 0.00 C ATOM 469 C TRP A 172 0.369 5.878 4.300 1.00 0.00 C ATOM 470 O TRP A 172 0.398 6.317 5.432 1.00 0.00 O ATOM 471 CB TRP A 172 1.224 8.013 3.323 1.00 0.00 C ATOM 472 CG TRP A 172 2.642 7.551 3.419 1.00 0.00 C ATOM 473 CD1 TRP A 172 3.149 6.795 4.421 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.744 7.800 2.500 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.491 6.567 4.175 1.00 0.00 N ATOM 476 CE2 TRP A 172 4.903 7.164 3.003 1.00 0.00 C ATOM 477 CE3 TRP A 172 3.849 8.507 1.288 1.00 0.00 C ATOM 478 CZ2 TRP A 172 6.123 7.228 2.332 1.00 0.00 C ATOM 479 CZ3 TRP A 172 5.075 8.575 0.606 1.00 0.00 C ATOM 480 CH2 TRP A 172 6.212 7.936 1.128 1.00 0.00 C ATOM 0 H TRP A 172 -1.283 8.225 3.246 1.00 0.00 H new ATOM 0 HA TRP A 172 0.633 6.273 2.198 1.00 0.00 H new ATOM 0 HB2 TRP A 172 1.119 8.728 2.507 1.00 0.00 H new ATOM 0 HB3 TRP A 172 0.936 8.529 4.239 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.596 6.429 5.274 1.00 0.00 H new ATOM 0 HE1 TRP A 172 5.101 6.024 4.786 1.00 0.00 H new ATOM 0 HE3 TRP A 172 2.980 9.001 0.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 6.994 6.735 2.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 5.144 9.121 -0.323 1.00 0.00 H new ATOM 0 HH2 TRP A 172 7.153 7.991 0.601 1.00 0.00 H new ATOM 491 N LEU A 173 0.387 4.593 4.071 1.00 0.00 N ATOM 492 CA LEU A 173 0.446 3.634 5.212 1.00 0.00 C ATOM 493 C LEU A 173 1.712 3.892 6.030 1.00 0.00 C ATOM 494 O LEU A 173 1.687 3.895 7.246 1.00 0.00 O ATOM 495 CB LEU A 173 0.469 2.201 4.675 1.00 0.00 C ATOM 496 CG LEU A 173 -0.941 1.788 4.252 1.00 0.00 C ATOM 497 CD1 LEU A 173 -0.872 1.006 2.939 1.00 0.00 C ATOM 498 CD2 LEU A 173 -1.560 0.903 5.337 1.00 0.00 C ATOM 0 H LEU A 173 0.363 4.166 3.145 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.430 3.770 5.846 1.00 0.00 H new ATOM 0 HB2 LEU A 173 1.149 2.131 3.826 1.00 0.00 H new ATOM 0 HB3 LEU A 173 0.844 1.521 5.440 1.00 0.00 H new ATOM 0 HG LEU A 173 -1.553 2.679 4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -1.877 0.712 2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -0.430 1.633 2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -0.259 0.115 3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -2.565 0.608 5.036 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -0.946 0.013 5.474 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -1.610 1.457 6.274 1.00 0.00 H new ATOM 510 N GLY A 174 2.822 4.107 5.376 1.00 0.00 N ATOM 511 CA GLY A 174 4.088 4.363 6.121 1.00 0.00 C ATOM 512 C GLY A 174 5.266 3.774 5.343 1.00 0.00 C ATOM 513 O GLY A 174 5.105 2.875 4.542 1.00 0.00 O ATOM 0 H GLY A 174 2.907 4.116 4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 174 4.230 5.435 6.260 1.00 0.00 H new ATOM 0 HA3 GLY A 174 4.035 3.917 7.114 1.00 0.00 H new ATOM 517 N THR A 175 6.451 4.272 5.572 1.00 0.00 N ATOM 518 CA THR A 175 7.635 3.738 4.842 1.00 0.00 C ATOM 519 C THR A 175 8.038 2.389 5.443 1.00 0.00 C ATOM 520 O THR A 175 7.823 2.129 6.610 1.00 0.00 O ATOM 521 CB THR A 175 8.800 4.725 4.963 1.00 0.00 C ATOM 522 OG1 THR A 175 9.537 4.447 6.145 1.00 0.00 O ATOM 523 CG2 THR A 175 8.256 6.151 5.020 1.00 0.00 C ATOM 0 H THR A 175 6.650 5.024 6.232 1.00 0.00 H new ATOM 0 HA THR A 175 7.384 3.605 3.790 1.00 0.00 H new ATOM 0 HB THR A 175 9.455 4.623 4.098 1.00 0.00 H new ATOM 0 HG1 THR A 175 10.283 5.078 6.221 1.00 0.00 H new ATOM 0 HG21 THR A 175 9.085 6.853 5.106 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.694 6.363 4.110 1.00 0.00 H new ATOM 0 HG23 THR A 175 7.600 6.256 5.884 1.00 0.00 H new ATOM 531 N PHE A 176 8.616 1.527 4.652 1.00 0.00 N ATOM 532 CA PHE A 176 9.026 0.193 5.175 1.00 0.00 C ATOM 533 C PHE A 176 10.524 -0.017 4.939 1.00 0.00 C ATOM 534 O PHE A 176 11.215 0.859 4.456 1.00 0.00 O ATOM 535 CB PHE A 176 8.238 -0.897 4.449 1.00 0.00 C ATOM 536 CG PHE A 176 6.820 -0.893 4.955 1.00 0.00 C ATOM 537 CD1 PHE A 176 5.908 0.054 4.471 1.00 0.00 C ATOM 538 CD2 PHE A 176 6.417 -1.829 5.914 1.00 0.00 C ATOM 539 CE1 PHE A 176 4.592 0.065 4.947 1.00 0.00 C ATOM 540 CE2 PHE A 176 5.102 -1.818 6.392 1.00 0.00 C ATOM 541 CZ PHE A 176 4.188 -0.871 5.908 1.00 0.00 C ATOM 0 H PHE A 176 8.822 1.689 3.666 1.00 0.00 H new ATOM 0 HA PHE A 176 8.821 0.144 6.244 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.255 -0.721 3.373 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.697 -1.871 4.620 1.00 0.00 H new ATOM 0 HD1 PHE A 176 6.221 0.775 3.731 1.00 0.00 H new ATOM 0 HD2 PHE A 176 7.121 -2.560 6.285 1.00 0.00 H new ATOM 0 HE1 PHE A 176 3.888 0.794 4.574 1.00 0.00 H new ATOM 0 HE2 PHE A 176 4.791 -2.539 7.134 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.173 -0.863 6.276 1.00 0.00 H new ATOM 551 N GLU A 177 11.030 -1.174 5.274 1.00 0.00 N ATOM 552 CA GLU A 177 12.481 -1.441 5.066 1.00 0.00 C ATOM 553 C GLU A 177 12.695 -1.982 3.650 1.00 0.00 C ATOM 554 O GLU A 177 13.715 -1.747 3.033 1.00 0.00 O ATOM 555 CB GLU A 177 12.961 -2.476 6.087 1.00 0.00 C ATOM 556 CG GLU A 177 12.945 -1.857 7.487 1.00 0.00 C ATOM 557 CD GLU A 177 14.033 -2.506 8.344 1.00 0.00 C ATOM 558 OE1 GLU A 177 13.806 -3.603 8.827 1.00 0.00 O ATOM 559 OE2 GLU A 177 15.076 -1.893 8.506 1.00 0.00 O ATOM 0 H GLU A 177 10.501 -1.945 5.682 1.00 0.00 H new ATOM 0 HA GLU A 177 13.046 -0.518 5.195 1.00 0.00 H new ATOM 0 HB2 GLU A 177 12.318 -3.355 6.059 1.00 0.00 H new ATOM 0 HB3 GLU A 177 13.968 -2.810 5.837 1.00 0.00 H new ATOM 0 HG2 GLU A 177 13.111 -0.782 7.423 1.00 0.00 H new ATOM 0 HG3 GLU A 177 11.968 -2.002 7.949 1.00 0.00 H new ATOM 566 N THR A 178 11.738 -2.701 3.131 1.00 0.00 N ATOM 567 CA THR A 178 11.881 -3.254 1.755 1.00 0.00 C ATOM 568 C THR A 178 10.546 -3.123 1.019 1.00 0.00 C ATOM 569 O THR A 178 9.558 -2.692 1.579 1.00 0.00 O ATOM 570 CB THR A 178 12.278 -4.730 1.837 1.00 0.00 C ATOM 571 OG1 THR A 178 11.119 -5.519 2.072 1.00 0.00 O ATOM 572 CG2 THR A 178 13.275 -4.932 2.980 1.00 0.00 C ATOM 0 H THR A 178 10.862 -2.930 3.601 1.00 0.00 H new ATOM 0 HA THR A 178 12.651 -2.703 1.216 1.00 0.00 H new ATOM 0 HB THR A 178 12.741 -5.033 0.898 1.00 0.00 H new ATOM 0 HG1 THR A 178 11.372 -6.464 2.124 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.556 -5.984 3.036 1.00 0.00 H new ATOM 0 HG22 THR A 178 14.164 -4.328 2.798 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.816 -4.628 3.921 1.00 0.00 H new ATOM 580 N ALA A 179 10.506 -3.491 -0.232 1.00 0.00 N ATOM 581 CA ALA A 179 9.233 -3.385 -0.999 1.00 0.00 C ATOM 582 C ALA A 179 8.294 -4.523 -0.591 1.00 0.00 C ATOM 583 O ALA A 179 7.090 -4.411 -0.693 1.00 0.00 O ATOM 584 CB ALA A 179 9.527 -3.480 -2.497 1.00 0.00 C ATOM 0 H ALA A 179 11.299 -3.860 -0.756 1.00 0.00 H new ATOM 0 HA ALA A 179 8.760 -2.427 -0.783 1.00 0.00 H new ATOM 0 HB1 ALA A 179 8.595 -3.402 -3.056 1.00 0.00 H new ATOM 0 HB2 ALA A 179 10.194 -2.669 -2.789 1.00 0.00 H new ATOM 0 HB3 ALA A 179 10.002 -4.437 -2.715 1.00 0.00 H new ATOM 590 N GLU A 180 8.835 -5.618 -0.130 1.00 0.00 N ATOM 591 CA GLU A 180 7.970 -6.759 0.283 1.00 0.00 C ATOM 592 C GLU A 180 7.238 -6.403 1.577 1.00 0.00 C ATOM 593 O GLU A 180 6.090 -6.751 1.769 1.00 0.00 O ATOM 594 CB GLU A 180 8.831 -8.002 0.513 1.00 0.00 C ATOM 595 CG GLU A 180 7.933 -9.236 0.611 1.00 0.00 C ATOM 596 CD GLU A 180 8.728 -10.402 1.201 1.00 0.00 C ATOM 597 OE1 GLU A 180 9.721 -10.778 0.602 1.00 0.00 O ATOM 598 OE2 GLU A 180 8.329 -10.898 2.242 1.00 0.00 O ATOM 0 H GLU A 180 9.838 -5.771 -0.022 1.00 0.00 H new ATOM 0 HA GLU A 180 7.243 -6.962 -0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.542 -8.121 -0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 180 9.413 -7.890 1.428 1.00 0.00 H new ATOM 0 HG2 GLU A 180 7.067 -9.019 1.236 1.00 0.00 H new ATOM 0 HG3 GLU A 180 7.555 -9.503 -0.376 1.00 0.00 H new ATOM 605 N ASP A 181 7.891 -5.708 2.464 1.00 0.00 N ATOM 606 CA ASP A 181 7.232 -5.329 3.741 1.00 0.00 C ATOM 607 C ASP A 181 6.202 -4.232 3.473 1.00 0.00 C ATOM 608 O ASP A 181 5.126 -4.224 4.037 1.00 0.00 O ATOM 609 CB ASP A 181 8.281 -4.814 4.729 1.00 0.00 C ATOM 610 CG ASP A 181 9.621 -5.509 4.474 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.617 -6.721 4.328 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.624 -4.818 4.426 1.00 0.00 O ATOM 0 H ASP A 181 8.853 -5.386 2.359 1.00 0.00 H new ATOM 0 HA ASP A 181 6.735 -6.201 4.166 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.395 -3.735 4.623 1.00 0.00 H new ATOM 0 HB3 ASP A 181 7.953 -5.001 5.752 1.00 0.00 H new ATOM 617 N ALA A 182 6.522 -3.303 2.614 1.00 0.00 N ATOM 618 CA ALA A 182 5.560 -2.207 2.309 1.00 0.00 C ATOM 619 C ALA A 182 4.418 -2.759 1.458 1.00 0.00 C ATOM 620 O ALA A 182 3.315 -2.249 1.474 1.00 0.00 O ATOM 621 CB ALA A 182 6.278 -1.092 1.545 1.00 0.00 C ATOM 0 H ALA A 182 7.408 -3.256 2.111 1.00 0.00 H new ATOM 0 HA ALA A 182 5.159 -1.804 3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.573 -0.291 1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 182 7.093 -0.700 2.154 1.00 0.00 H new ATOM 0 HB3 ALA A 182 6.681 -1.490 0.614 1.00 0.00 H new ATOM 627 N ALA A 183 4.668 -3.801 0.716 1.00 0.00 N ATOM 628 CA ALA A 183 3.592 -4.384 -0.127 1.00 0.00 C ATOM 629 C ALA A 183 2.654 -5.203 0.759 1.00 0.00 C ATOM 630 O ALA A 183 1.450 -5.183 0.592 1.00 0.00 O ATOM 631 CB ALA A 183 4.208 -5.287 -1.198 1.00 0.00 C ATOM 0 H ALA A 183 5.571 -4.273 0.658 1.00 0.00 H new ATOM 0 HA ALA A 183 3.033 -3.585 -0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.416 -5.713 -1.814 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.880 -4.701 -1.825 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.767 -6.091 -0.719 1.00 0.00 H new ATOM 637 N LEU A 184 3.196 -5.913 1.709 1.00 0.00 N ATOM 638 CA LEU A 184 2.338 -6.722 2.615 1.00 0.00 C ATOM 639 C LEU A 184 1.436 -5.780 3.412 1.00 0.00 C ATOM 640 O LEU A 184 0.256 -6.022 3.579 1.00 0.00 O ATOM 641 CB LEU A 184 3.227 -7.523 3.566 1.00 0.00 C ATOM 642 CG LEU A 184 2.418 -8.657 4.201 1.00 0.00 C ATOM 643 CD1 LEU A 184 1.241 -8.078 4.988 1.00 0.00 C ATOM 644 CD2 LEU A 184 1.890 -9.595 3.111 1.00 0.00 C ATOM 0 H LEU A 184 4.197 -5.967 1.896 1.00 0.00 H new ATOM 0 HA LEU A 184 1.723 -7.411 2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 184 4.080 -7.932 3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.626 -6.870 4.342 1.00 0.00 H new ATOM 0 HG LEU A 184 3.065 -9.217 4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 184 0.669 -8.890 5.437 1.00 0.00 H new ATOM 0 HD12 LEU A 184 1.616 -7.421 5.772 1.00 0.00 H new ATOM 0 HD13 LEU A 184 0.598 -7.510 4.316 1.00 0.00 H new ATOM 0 HD21 LEU A 184 1.315 -10.399 3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 184 1.250 -9.036 2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 184 2.728 -10.018 2.558 1.00 0.00 H new ATOM 656 N ALA A 185 1.982 -4.699 3.894 1.00 0.00 N ATOM 657 CA ALA A 185 1.161 -3.732 4.671 1.00 0.00 C ATOM 658 C ALA A 185 0.116 -3.112 3.743 1.00 0.00 C ATOM 659 O ALA A 185 -0.961 -2.737 4.164 1.00 0.00 O ATOM 660 CB ALA A 185 2.063 -2.632 5.233 1.00 0.00 C ATOM 0 H ALA A 185 2.963 -4.444 3.783 1.00 0.00 H new ATOM 0 HA ALA A 185 0.665 -4.245 5.495 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.461 -1.924 5.802 1.00 0.00 H new ATOM 0 HB2 ALA A 185 2.815 -3.076 5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.557 -2.112 4.412 1.00 0.00 H new ATOM 666 N TYR A 186 0.427 -3.007 2.481 1.00 0.00 N ATOM 667 CA TYR A 186 -0.543 -2.419 1.517 1.00 0.00 C ATOM 668 C TYR A 186 -1.755 -3.343 1.399 1.00 0.00 C ATOM 669 O TYR A 186 -2.866 -2.902 1.180 1.00 0.00 O ATOM 670 CB TYR A 186 0.125 -2.283 0.147 1.00 0.00 C ATOM 671 CG TYR A 186 -0.914 -1.945 -0.891 1.00 0.00 C ATOM 672 CD1 TYR A 186 -1.767 -2.943 -1.379 1.00 0.00 C ATOM 673 CD2 TYR A 186 -1.026 -0.633 -1.369 1.00 0.00 C ATOM 674 CE1 TYR A 186 -2.730 -2.629 -2.346 1.00 0.00 C ATOM 675 CE2 TYR A 186 -1.989 -0.319 -2.336 1.00 0.00 C ATOM 676 CZ TYR A 186 -2.842 -1.317 -2.825 1.00 0.00 C ATOM 677 OH TYR A 186 -3.791 -1.009 -3.778 1.00 0.00 O ATOM 0 H TYR A 186 1.314 -3.304 2.075 1.00 0.00 H new ATOM 0 HA TYR A 186 -0.861 -1.437 1.867 1.00 0.00 H new ATOM 0 HB2 TYR A 186 0.888 -1.505 0.179 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.628 -3.213 -0.117 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -1.682 -3.954 -1.010 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.369 0.137 -0.992 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -3.387 -3.399 -2.723 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -2.074 0.693 -2.705 1.00 0.00 H new ATOM 0 HH TYR A 186 -3.735 -0.056 -3.999 1.00 0.00 H new ATOM 687 N ASP A 187 -1.547 -4.623 1.537 1.00 0.00 N ATOM 688 CA ASP A 187 -2.674 -5.583 1.430 1.00 0.00 C ATOM 689 C ASP A 187 -3.651 -5.371 2.586 1.00 0.00 C ATOM 690 O ASP A 187 -4.846 -5.265 2.393 1.00 0.00 O ATOM 691 CB ASP A 187 -2.119 -7.004 1.487 1.00 0.00 C ATOM 692 CG ASP A 187 -1.090 -7.198 0.370 1.00 0.00 C ATOM 693 OD1 ASP A 187 -0.641 -6.203 -0.174 1.00 0.00 O ATOM 694 OD2 ASP A 187 -0.769 -8.339 0.078 1.00 0.00 O ATOM 0 H ASP A 187 -0.637 -5.045 1.721 1.00 0.00 H new ATOM 0 HA ASP A 187 -3.200 -5.425 0.488 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.656 -7.186 2.457 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -2.928 -7.726 1.379 1.00 0.00 H new ATOM 699 N ARG A 188 -3.152 -5.316 3.787 1.00 0.00 N ATOM 700 CA ARG A 188 -4.053 -5.121 4.960 1.00 0.00 C ATOM 701 C ARG A 188 -4.829 -3.810 4.812 1.00 0.00 C ATOM 702 O ARG A 188 -5.934 -3.676 5.298 1.00 0.00 O ATOM 703 CB ARG A 188 -3.223 -5.074 6.245 1.00 0.00 C ATOM 704 CG ARG A 188 -4.161 -4.974 7.450 1.00 0.00 C ATOM 705 CD ARG A 188 -3.382 -4.470 8.666 1.00 0.00 C ATOM 706 NE ARG A 188 -4.203 -3.465 9.399 1.00 0.00 N ATOM 707 CZ ARG A 188 -4.526 -3.670 10.647 1.00 0.00 C ATOM 708 NH1 ARG A 188 -5.578 -4.383 10.942 1.00 0.00 N ATOM 709 NH2 ARG A 188 -3.795 -3.160 11.603 1.00 0.00 N ATOM 0 H ARG A 188 -2.160 -5.397 4.010 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.756 -5.953 5.008 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -2.604 -5.968 6.325 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -2.547 -4.219 6.224 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -4.985 -4.296 7.227 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -4.599 -5.949 7.665 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -3.135 -5.303 9.324 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -2.440 -4.024 8.348 1.00 0.00 H new ATOM 0 HE ARG A 188 -4.513 -2.616 8.925 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -6.149 -4.781 10.197 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -5.829 -4.542 11.918 1.00 0.00 H new ATOM 0 HH21 ARG A 188 -2.973 -2.602 11.374 1.00 0.00 H new ATOM 0 HH22 ARG A 188 -4.047 -3.320 12.578 1.00 0.00 H new ATOM 723 N ALA A 189 -4.261 -2.838 4.154 1.00 0.00 N ATOM 724 CA ALA A 189 -4.973 -1.539 3.991 1.00 0.00 C ATOM 725 C ALA A 189 -5.901 -1.605 2.777 1.00 0.00 C ATOM 726 O ALA A 189 -6.872 -0.880 2.689 1.00 0.00 O ATOM 727 CB ALA A 189 -3.950 -0.418 3.790 1.00 0.00 C ATOM 0 H ALA A 189 -3.338 -2.886 3.723 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.564 -1.339 4.885 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.470 0.532 3.671 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -3.293 -0.365 4.658 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.358 -0.622 2.898 1.00 0.00 H new ATOM 733 N ALA A 190 -5.613 -2.464 1.841 1.00 0.00 N ATOM 734 CA ALA A 190 -6.483 -2.568 0.636 1.00 0.00 C ATOM 735 C ALA A 190 -7.620 -3.556 0.907 1.00 0.00 C ATOM 736 O ALA A 190 -8.521 -3.713 0.107 1.00 0.00 O ATOM 737 CB ALA A 190 -5.653 -3.057 -0.552 1.00 0.00 C ATOM 0 H ALA A 190 -4.814 -3.098 1.857 1.00 0.00 H new ATOM 0 HA ALA A 190 -6.903 -1.588 0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -6.289 -3.133 -1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -4.846 -2.351 -0.747 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -5.232 -4.036 -0.323 1.00 0.00 H new ATOM 743 N PHE A 191 -7.586 -4.223 2.027 1.00 0.00 N ATOM 744 CA PHE A 191 -8.668 -5.198 2.344 1.00 0.00 C ATOM 745 C PHE A 191 -9.612 -4.592 3.381 1.00 0.00 C ATOM 746 O PHE A 191 -10.811 -4.782 3.331 1.00 0.00 O ATOM 747 CB PHE A 191 -8.049 -6.481 2.904 1.00 0.00 C ATOM 748 CG PHE A 191 -8.844 -7.676 2.435 1.00 0.00 C ATOM 749 CD1 PHE A 191 -8.550 -8.274 1.203 1.00 0.00 C ATOM 750 CD2 PHE A 191 -9.876 -8.189 3.234 1.00 0.00 C ATOM 751 CE1 PHE A 191 -9.286 -9.385 0.770 1.00 0.00 C ATOM 752 CE2 PHE A 191 -10.611 -9.299 2.800 1.00 0.00 C ATOM 753 CZ PHE A 191 -10.317 -9.898 1.568 1.00 0.00 C ATOM 0 H PHE A 191 -6.858 -4.136 2.736 1.00 0.00 H new ATOM 0 HA PHE A 191 -9.226 -5.430 1.437 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -7.013 -6.570 2.576 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -8.037 -6.445 3.993 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -7.756 -7.879 0.587 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -10.104 -7.728 4.184 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -9.058 -9.846 -0.180 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -11.406 -9.694 3.416 1.00 0.00 H new ATOM 0 HZ PHE A 191 -10.884 -10.754 1.234 1.00 0.00 H new ATOM 763 N ARG A 192 -9.082 -3.858 4.318 1.00 0.00 N ATOM 764 CA ARG A 192 -9.949 -3.234 5.353 1.00 0.00 C ATOM 765 C ARG A 192 -10.679 -2.040 4.742 1.00 0.00 C ATOM 766 O ARG A 192 -11.846 -1.812 4.992 1.00 0.00 O ATOM 767 CB ARG A 192 -9.081 -2.755 6.519 1.00 0.00 C ATOM 768 CG ARG A 192 -9.955 -2.026 7.541 1.00 0.00 C ATOM 769 CD ARG A 192 -9.365 -0.642 7.825 1.00 0.00 C ATOM 770 NE ARG A 192 -8.590 -0.682 9.098 1.00 0.00 N ATOM 771 CZ ARG A 192 -9.044 -0.067 10.158 1.00 0.00 C ATOM 772 NH1 ARG A 192 -10.094 -0.527 10.779 1.00 0.00 N ATOM 773 NH2 ARG A 192 -8.444 1.007 10.595 1.00 0.00 N ATOM 0 H ARG A 192 -8.085 -3.663 4.411 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.675 -3.963 5.714 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -8.585 -3.604 6.989 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -8.298 -2.090 6.154 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -10.972 -1.928 7.161 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -10.013 -2.604 8.463 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -8.718 -0.335 7.003 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -10.163 0.097 7.896 1.00 0.00 H new ATOM 0 HE ARG A 192 -7.706 -1.189 9.142 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -10.561 -1.367 10.438 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -10.448 -0.047 11.606 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -7.622 1.365 10.109 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -8.797 1.488 11.422 1.00 0.00 H new ATOM 787 N MET A 193 -9.991 -1.275 3.945 1.00 0.00 N ATOM 788 CA MET A 193 -10.627 -0.088 3.310 1.00 0.00 C ATOM 789 C MET A 193 -11.611 -0.536 2.227 1.00 0.00 C ATOM 790 O MET A 193 -12.599 0.122 1.966 1.00 0.00 O ATOM 791 CB MET A 193 -9.544 0.785 2.674 1.00 0.00 C ATOM 792 CG MET A 193 -9.084 1.842 3.679 1.00 0.00 C ATOM 793 SD MET A 193 -8.769 3.400 2.812 1.00 0.00 S ATOM 794 CE MET A 193 -7.812 2.707 1.443 1.00 0.00 C ATOM 0 H MET A 193 -9.011 -1.421 3.704 1.00 0.00 H new ATOM 0 HA MET A 193 -11.164 0.479 4.071 1.00 0.00 H new ATOM 0 HB2 MET A 193 -8.699 0.169 2.367 1.00 0.00 H new ATOM 0 HB3 MET A 193 -9.931 1.266 1.776 1.00 0.00 H new ATOM 0 HG2 MET A 193 -9.846 1.987 4.445 1.00 0.00 H new ATOM 0 HG3 MET A 193 -8.180 1.507 4.188 1.00 0.00 H new ATOM 0 HE1 MET A 193 -7.153 3.473 1.035 1.00 0.00 H new ATOM 0 HE2 MET A 193 -7.215 1.869 1.804 1.00 0.00 H new ATOM 0 HE3 MET A 193 -8.491 2.360 0.664 1.00 0.00 H new ATOM 804 N ARG A 194 -11.351 -1.644 1.589 1.00 0.00 N ATOM 805 CA ARG A 194 -12.276 -2.115 0.519 1.00 0.00 C ATOM 806 C ARG A 194 -13.311 -3.073 1.112 1.00 0.00 C ATOM 807 O ARG A 194 -14.240 -3.487 0.447 1.00 0.00 O ATOM 808 CB ARG A 194 -11.478 -2.831 -0.572 1.00 0.00 C ATOM 809 CG ARG A 194 -11.540 -2.014 -1.865 1.00 0.00 C ATOM 810 CD ARG A 194 -10.289 -2.286 -2.702 1.00 0.00 C ATOM 811 NE ARG A 194 -10.596 -2.056 -4.142 1.00 0.00 N ATOM 812 CZ ARG A 194 -10.995 -0.882 -4.546 1.00 0.00 C ATOM 813 NH1 ARG A 194 -10.507 0.196 -3.999 1.00 0.00 N ATOM 814 NH2 ARG A 194 -11.881 -0.786 -5.499 1.00 0.00 N ATOM 0 H ARG A 194 -10.542 -2.241 1.761 1.00 0.00 H new ATOM 0 HA ARG A 194 -12.790 -1.256 0.086 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -10.442 -2.957 -0.257 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -11.884 -3.829 -0.739 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -12.433 -2.277 -2.431 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -11.611 -0.951 -1.633 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -9.476 -1.633 -2.384 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -9.952 -3.312 -2.550 1.00 0.00 H new ATOM 0 HE ARG A 194 -10.494 -2.818 -4.813 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -9.813 0.121 -3.255 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -10.819 1.114 -4.315 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -12.262 -1.629 -5.928 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -12.193 0.132 -5.815 1.00 0.00 H new ATOM 828 N GLY A 195 -13.165 -3.425 2.359 1.00 0.00 N ATOM 829 CA GLY A 195 -14.151 -4.350 2.989 1.00 0.00 C ATOM 830 C GLY A 195 -13.677 -5.798 2.842 1.00 0.00 C ATOM 831 O GLY A 195 -12.788 -6.244 3.539 1.00 0.00 O ATOM 0 H GLY A 195 -12.408 -3.114 2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -14.271 -4.103 4.044 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -15.127 -4.229 2.520 1.00 0.00 H new ATOM 835 N SER A 196 -14.271 -6.540 1.945 1.00 0.00 N ATOM 836 CA SER A 196 -13.860 -7.961 1.763 1.00 0.00 C ATOM 837 C SER A 196 -13.096 -8.120 0.446 1.00 0.00 C ATOM 838 O SER A 196 -11.884 -8.213 0.428 1.00 0.00 O ATOM 839 CB SER A 196 -15.102 -8.853 1.740 1.00 0.00 C ATOM 840 OG SER A 196 -14.937 -9.911 2.674 1.00 0.00 O ATOM 0 H SER A 196 -15.022 -6.223 1.332 1.00 0.00 H new ATOM 0 HA SER A 196 -13.213 -8.253 2.590 1.00 0.00 H new ATOM 0 HB2 SER A 196 -15.988 -8.269 1.988 1.00 0.00 H new ATOM 0 HB3 SER A 196 -15.256 -9.257 0.739 1.00 0.00 H new ATOM 0 HG SER A 196 -15.732 -10.484 2.663 1.00 0.00 H new ATOM 846 N ARG A 197 -13.792 -8.161 -0.656 1.00 0.00 N ATOM 847 CA ARG A 197 -13.101 -8.325 -1.967 1.00 0.00 C ATOM 848 C ARG A 197 -12.146 -7.153 -2.202 1.00 0.00 C ATOM 849 O ARG A 197 -12.543 -6.005 -2.199 1.00 0.00 O ATOM 850 CB ARG A 197 -14.138 -8.375 -3.088 1.00 0.00 C ATOM 851 CG ARG A 197 -13.911 -9.630 -3.934 1.00 0.00 C ATOM 852 CD ARG A 197 -14.752 -9.550 -5.208 1.00 0.00 C ATOM 853 NE ARG A 197 -14.135 -10.401 -6.265 1.00 0.00 N ATOM 854 CZ ARG A 197 -14.564 -11.619 -6.453 1.00 0.00 C ATOM 855 NH1 ARG A 197 -14.688 -12.433 -5.440 1.00 0.00 N ATOM 856 NH2 ARG A 197 -14.864 -12.024 -7.657 1.00 0.00 N ATOM 0 H ARG A 197 -14.808 -8.088 -0.706 1.00 0.00 H new ATOM 0 HA ARG A 197 -12.531 -9.254 -1.958 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -15.144 -8.383 -2.668 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -14.060 -7.484 -3.711 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -12.855 -9.723 -4.189 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -14.181 -10.519 -3.364 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -15.770 -9.883 -5.006 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -14.817 -8.517 -5.550 1.00 0.00 H new ATOM 0 HE ARG A 197 -13.378 -10.032 -6.841 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -14.449 -12.117 -4.500 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -15.023 -13.385 -5.589 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -14.763 -11.389 -8.449 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -15.199 -12.976 -7.806 1.00 0.00 H new ATOM 870 N ALA A 198 -10.889 -7.439 -2.407 1.00 0.00 N ATOM 871 CA ALA A 198 -9.902 -6.350 -2.646 1.00 0.00 C ATOM 872 C ALA A 198 -8.704 -6.917 -3.409 1.00 0.00 C ATOM 873 O ALA A 198 -8.495 -8.113 -3.455 1.00 0.00 O ATOM 874 CB ALA A 198 -9.432 -5.781 -1.306 1.00 0.00 C ATOM 0 H ALA A 198 -10.503 -8.383 -2.419 1.00 0.00 H new ATOM 0 HA ALA A 198 -10.367 -5.556 -3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -8.710 -4.984 -1.482 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -10.287 -5.382 -0.760 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -8.964 -6.571 -0.719 1.00 0.00 H new ATOM 880 N LEU A 199 -7.914 -6.070 -4.010 1.00 0.00 N ATOM 881 CA LEU A 199 -6.732 -6.566 -4.769 1.00 0.00 C ATOM 882 C LEU A 199 -5.451 -6.171 -4.033 1.00 0.00 C ATOM 883 O LEU A 199 -5.219 -5.012 -3.748 1.00 0.00 O ATOM 884 CB LEU A 199 -6.730 -5.948 -6.168 1.00 0.00 C ATOM 885 CG LEU A 199 -6.361 -7.016 -7.198 1.00 0.00 C ATOM 886 CD1 LEU A 199 -7.473 -7.125 -8.242 1.00 0.00 C ATOM 887 CD2 LEU A 199 -5.052 -6.625 -7.887 1.00 0.00 C ATOM 0 H LEU A 199 -8.036 -5.057 -4.008 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.782 -7.652 -4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.712 -5.533 -6.395 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -6.018 -5.124 -6.212 1.00 0.00 H new ATOM 0 HG LEU A 199 -6.238 -7.977 -6.698 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -7.210 -7.886 -8.976 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -8.407 -7.401 -7.752 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -7.597 -6.165 -8.743 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -4.787 -7.385 -8.622 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -5.177 -5.665 -8.387 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -4.259 -6.547 -7.144 1.00 0.00 H new ATOM 899 N LEU A 200 -4.615 -7.124 -3.724 1.00 0.00 N ATOM 900 CA LEU A 200 -3.348 -6.800 -3.006 1.00 0.00 C ATOM 901 C LEU A 200 -2.163 -7.315 -3.820 1.00 0.00 C ATOM 902 O LEU A 200 -2.327 -8.006 -4.806 1.00 0.00 O ATOM 903 CB LEU A 200 -3.326 -7.462 -1.619 1.00 0.00 C ATOM 904 CG LEU A 200 -4.610 -8.257 -1.385 1.00 0.00 C ATOM 905 CD1 LEU A 200 -4.466 -9.106 -0.121 1.00 0.00 C ATOM 906 CD2 LEU A 200 -5.782 -7.288 -1.217 1.00 0.00 C ATOM 0 H LEU A 200 -4.753 -8.112 -3.937 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.283 -5.719 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.463 -8.122 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.217 -6.700 -0.847 1.00 0.00 H new ATOM 0 HG LEU A 200 -4.793 -8.909 -2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.383 -9.672 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -3.630 -9.796 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -4.282 -8.456 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.700 -7.852 -1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.596 -6.637 -0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -5.887 -6.684 -2.118 1.00 0.00 H new ATOM 918 N ASN A 201 -0.967 -6.998 -3.407 1.00 0.00 N ATOM 919 CA ASN A 201 0.226 -7.487 -4.152 1.00 0.00 C ATOM 920 C ASN A 201 0.411 -8.969 -3.845 1.00 0.00 C ATOM 921 O ASN A 201 0.926 -9.724 -4.646 1.00 0.00 O ATOM 922 CB ASN A 201 1.477 -6.724 -3.706 1.00 0.00 C ATOM 923 CG ASN A 201 1.090 -5.330 -3.207 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.412 -4.977 -1.995 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 0.489 -4.557 -3.928 1.00 0.00 N flip ATOM 0 H ASN A 201 -0.765 -6.424 -2.589 1.00 0.00 H new ATOM 0 HA ASN A 201 0.079 -7.330 -5.221 1.00 0.00 H new ATOM 0 HB2 ASN A 201 1.986 -7.274 -2.914 1.00 0.00 H new ATOM 0 HB3 ASN A 201 2.177 -6.640 -4.537 1.00 0.00 H new ATOM 0 HD21 ASN A 201 0.238 -4.835 -4.877 1.00 0.00 H new ATOM 0 HD22 ASN A 201 0.236 -3.631 -3.584 1.00 0.00 H new ATOM 932 N PHE A 202 -0.012 -9.390 -2.684 1.00 0.00 N ATOM 933 CA PHE A 202 0.131 -10.822 -2.308 1.00 0.00 C ATOM 934 C PHE A 202 -1.238 -11.389 -1.911 1.00 0.00 C ATOM 935 O PHE A 202 -1.455 -11.728 -0.765 1.00 0.00 O ATOM 936 CB PHE A 202 1.089 -10.939 -1.119 1.00 0.00 C ATOM 937 CG PHE A 202 2.279 -10.035 -1.327 1.00 0.00 C ATOM 938 CD1 PHE A 202 2.856 -9.918 -2.596 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.814 -9.322 -0.246 1.00 0.00 C ATOM 940 CE1 PHE A 202 3.968 -9.090 -2.786 1.00 0.00 C ATOM 941 CE2 PHE A 202 3.925 -8.492 -0.436 1.00 0.00 C ATOM 942 CZ PHE A 202 4.503 -8.376 -1.705 1.00 0.00 C ATOM 0 H PHE A 202 -0.452 -8.800 -1.978 1.00 0.00 H new ATOM 0 HA PHE A 202 0.525 -11.382 -3.156 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.573 -10.669 -0.197 1.00 0.00 H new ATOM 0 HB3 PHE A 202 1.421 -11.971 -1.008 1.00 0.00 H new ATOM 0 HD1 PHE A 202 2.443 -10.467 -3.429 1.00 0.00 H new ATOM 0 HD2 PHE A 202 2.369 -9.413 0.734 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.414 -9.001 -3.766 1.00 0.00 H new ATOM 0 HE2 PHE A 202 4.336 -7.941 0.397 1.00 0.00 H new ATOM 0 HZ PHE A 202 5.361 -7.737 -1.851 1.00 0.00 H new ATOM 952 N PRO A 203 -2.120 -11.484 -2.875 1.00 0.00 N ATOM 953 CA PRO A 203 -3.478 -12.014 -2.658 1.00 0.00 C ATOM 954 C PRO A 203 -3.432 -13.543 -2.566 1.00 0.00 C ATOM 955 O PRO A 203 -3.830 -14.240 -3.478 1.00 0.00 O ATOM 956 CB PRO A 203 -4.242 -11.566 -3.906 1.00 0.00 C ATOM 957 CG PRO A 203 -3.178 -11.315 -5.000 1.00 0.00 C ATOM 958 CD PRO A 203 -1.846 -11.073 -4.268 1.00 0.00 C ATOM 0 HA PRO A 203 -3.940 -11.661 -1.736 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -4.952 -12.330 -4.222 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -4.816 -10.661 -3.707 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -3.102 -12.171 -5.671 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -3.446 -10.454 -5.612 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -1.038 -11.660 -4.705 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -1.545 -10.027 -4.323 1.00 0.00 H new