USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=9 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 -94:sc= 0.126 USER MOD Single : A 151 GLN :FLIP amide:sc= -3.29! C(o=-6.7!,f=-3.3!) USER MOD Single : A 156 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0366) 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=-0.059) USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 180:sc= -2.92! USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 193 MET CE :methyl 142:sc= -0.482 (180deg=-1.52) USER MOD Single : A 196 SER OG : rot 180:sc= 0 USER MOD Single : A 201 ASN :FLIP amide:sc= -5.16! C(o=-10!,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.652 -3.325 -6.758 1.00 0.00 N ATOM 41 CA TYR A 146 4.324 -3.536 -6.115 1.00 0.00 C ATOM 42 C TYR A 146 3.412 -2.346 -6.427 1.00 0.00 C ATOM 43 O TYR A 146 3.850 -1.215 -6.483 1.00 0.00 O ATOM 44 CB TYR A 146 4.502 -3.656 -4.597 1.00 0.00 C ATOM 45 CG TYR A 146 5.243 -4.926 -4.259 1.00 0.00 C ATOM 46 CD1 TYR A 146 5.047 -6.084 -5.024 1.00 0.00 C ATOM 47 CD2 TYR A 146 6.122 -4.949 -3.167 1.00 0.00 C ATOM 48 CE1 TYR A 146 5.730 -7.262 -4.698 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.803 -6.127 -2.842 1.00 0.00 C ATOM 50 CZ TYR A 146 6.608 -7.284 -3.608 1.00 0.00 C ATOM 51 OH TYR A 146 7.280 -8.446 -3.287 1.00 0.00 O ATOM 0 HA TYR A 146 3.876 -4.451 -6.502 1.00 0.00 H new ATOM 0 HB2 TYR A 146 5.051 -2.794 -4.218 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.528 -3.653 -4.108 1.00 0.00 H new ATOM 0 HD1 TYR A 146 4.369 -6.068 -5.865 1.00 0.00 H new ATOM 0 HD2 TYR A 146 6.273 -4.057 -2.577 1.00 0.00 H new ATOM 0 HE1 TYR A 146 5.579 -8.154 -5.288 1.00 0.00 H new ATOM 0 HE2 TYR A 146 7.479 -6.145 -2.000 1.00 0.00 H new ATOM 0 HH TYR A 146 6.772 -8.941 -2.611 1.00 0.00 H new ATOM 61 N ARG A 147 2.145 -2.594 -6.629 1.00 0.00 N ATOM 62 CA ARG A 147 1.208 -1.476 -6.939 1.00 0.00 C ATOM 63 C ARG A 147 0.863 -0.722 -5.652 1.00 0.00 C ATOM 64 O ARG A 147 -0.008 -1.119 -4.904 1.00 0.00 O ATOM 65 CB ARG A 147 -0.077 -2.039 -7.550 1.00 0.00 C ATOM 66 CG ARG A 147 0.264 -2.861 -8.794 1.00 0.00 C ATOM 67 CD ARG A 147 -0.808 -2.635 -9.862 1.00 0.00 C ATOM 68 NE ARG A 147 -1.452 -3.934 -10.201 1.00 0.00 N ATOM 69 CZ ARG A 147 -2.719 -4.119 -9.951 1.00 0.00 C ATOM 70 NH1 ARG A 147 -3.113 -4.386 -8.737 1.00 0.00 N ATOM 71 NH2 ARG A 147 -3.593 -4.035 -10.917 1.00 0.00 N ATOM 0 H ARG A 147 1.720 -3.520 -6.593 1.00 0.00 H new ATOM 0 HA ARG A 147 1.683 -0.796 -7.646 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.596 -2.662 -6.821 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.753 -1.226 -7.813 1.00 0.00 H new ATOM 0 HG2 ARG A 147 1.242 -2.571 -9.178 1.00 0.00 H new ATOM 0 HG3 ARG A 147 0.322 -3.919 -8.539 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -1.556 -1.930 -9.499 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -0.361 -2.195 -10.753 1.00 0.00 H new ATOM 0 HE ARG A 147 -0.902 -4.679 -10.629 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -2.430 -4.450 -7.982 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -4.104 -4.530 -8.543 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -3.285 -3.825 -11.866 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -4.584 -4.180 -10.722 1.00 0.00 H new ATOM 85 N GLY A 148 1.538 0.363 -5.390 1.00 0.00 N ATOM 86 CA GLY A 148 1.243 1.142 -4.153 1.00 0.00 C ATOM 87 C GLY A 148 2.524 1.309 -3.334 1.00 0.00 C ATOM 88 O GLY A 148 2.604 2.144 -2.455 1.00 0.00 O ATOM 0 H GLY A 148 2.280 0.744 -5.977 1.00 0.00 H new ATOM 0 HA2 GLY A 148 0.837 2.119 -4.415 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.485 0.630 -3.561 1.00 0.00 H new ATOM 92 N VAL A 149 3.527 0.522 -3.611 1.00 0.00 N ATOM 93 CA VAL A 149 4.797 0.640 -2.841 1.00 0.00 C ATOM 94 C VAL A 149 5.799 1.494 -3.621 1.00 0.00 C ATOM 95 O VAL A 149 6.220 1.142 -4.705 1.00 0.00 O ATOM 96 CB VAL A 149 5.388 -0.751 -2.610 1.00 0.00 C ATOM 97 CG1 VAL A 149 6.602 -0.644 -1.686 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.337 -1.650 -1.960 1.00 0.00 C ATOM 0 H VAL A 149 3.522 -0.196 -4.335 1.00 0.00 H new ATOM 0 HA VAL A 149 4.590 1.113 -1.881 1.00 0.00 H new ATOM 0 HB VAL A 149 5.693 -1.177 -3.566 1.00 0.00 H new ATOM 0 HG11 VAL A 149 7.023 -1.636 -1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.354 -0.003 -2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.296 -0.217 -0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 149 4.758 -2.642 -1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 149 4.032 -1.222 -1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.470 -1.728 -2.616 1.00 0.00 H new ATOM 108 N ARG A 150 6.191 2.608 -3.069 1.00 0.00 N ATOM 109 CA ARG A 150 7.174 3.484 -3.766 1.00 0.00 C ATOM 110 C ARG A 150 8.572 3.180 -3.226 1.00 0.00 C ATOM 111 O ARG A 150 8.843 3.347 -2.054 1.00 0.00 O ATOM 112 CB ARG A 150 6.827 4.950 -3.504 1.00 0.00 C ATOM 113 CG ARG A 150 5.325 5.163 -3.710 1.00 0.00 C ATOM 114 CD ARG A 150 5.092 5.939 -5.008 1.00 0.00 C ATOM 115 NE ARG A 150 4.831 4.981 -6.119 1.00 0.00 N ATOM 116 CZ ARG A 150 3.621 4.538 -6.329 1.00 0.00 C ATOM 117 NH1 ARG A 150 2.707 5.338 -6.808 1.00 0.00 N ATOM 118 NH2 ARG A 150 3.325 3.296 -6.059 1.00 0.00 N ATOM 0 H ARG A 150 5.872 2.951 -2.163 1.00 0.00 H new ATOM 0 HA ARG A 150 7.144 3.298 -4.840 1.00 0.00 H new ATOM 0 HB2 ARG A 150 7.108 5.225 -2.488 1.00 0.00 H new ATOM 0 HB3 ARG A 150 7.392 5.595 -4.177 1.00 0.00 H new ATOM 0 HG2 ARG A 150 4.813 4.202 -3.752 1.00 0.00 H new ATOM 0 HG3 ARG A 150 4.906 5.711 -2.866 1.00 0.00 H new ATOM 0 HD2 ARG A 150 4.247 6.617 -4.892 1.00 0.00 H new ATOM 0 HD3 ARG A 150 5.963 6.552 -5.239 1.00 0.00 H new ATOM 0 HE ARG A 150 5.598 4.671 -6.716 1.00 0.00 H new ATOM 0 HH11 ARG A 150 2.938 6.309 -7.018 1.00 0.00 H new ATOM 0 HH12 ARG A 150 1.762 4.992 -6.972 1.00 0.00 H new ATOM 0 HH21 ARG A 150 4.039 2.672 -5.684 1.00 0.00 H new ATOM 0 HH22 ARG A 150 2.380 2.950 -6.223 1.00 0.00 H new ATOM 132 N GLN A 151 9.459 2.719 -4.065 1.00 0.00 N ATOM 133 CA GLN A 151 10.831 2.387 -3.589 1.00 0.00 C ATOM 134 C GLN A 151 11.709 3.643 -3.602 1.00 0.00 C ATOM 135 O GLN A 151 11.425 4.614 -4.275 1.00 0.00 O ATOM 136 CB GLN A 151 11.417 1.279 -4.490 1.00 0.00 C ATOM 137 CG GLN A 151 12.841 1.619 -4.959 1.00 0.00 C ATOM 138 CD GLN A 151 12.797 2.724 -6.023 1.00 0.00 C ATOM 139 OE1 GLN A 151 11.650 3.240 -6.383 1.00 0.00 O flip ATOM 140 NE2 GLN A 151 13.823 3.125 -6.534 1.00 0.00 N flip ATOM 0 H GLN A 151 9.293 2.558 -5.058 1.00 0.00 H new ATOM 0 HA GLN A 151 10.795 2.022 -2.563 1.00 0.00 H new ATOM 0 HB2 GLN A 151 11.429 0.335 -3.944 1.00 0.00 H new ATOM 0 HB3 GLN A 151 10.773 1.137 -5.358 1.00 0.00 H new ATOM 0 HG2 GLN A 151 13.443 1.944 -4.111 1.00 0.00 H new ATOM 0 HG3 GLN A 151 13.320 0.729 -5.368 1.00 0.00 H new ATOM 0 HE21 GLN A 151 14.720 2.726 -6.257 1.00 0.00 H new ATOM 0 HE22 GLN A 151 13.788 3.860 -7.240 1.00 0.00 H new ATOM 149 N ARG A 152 12.780 3.615 -2.857 1.00 0.00 N ATOM 150 CA ARG A 152 13.698 4.790 -2.807 1.00 0.00 C ATOM 151 C ARG A 152 15.126 4.332 -3.122 1.00 0.00 C ATOM 152 O ARG A 152 15.449 3.170 -2.972 1.00 0.00 O ATOM 153 CB ARG A 152 13.666 5.400 -1.405 1.00 0.00 C ATOM 154 CG ARG A 152 12.718 6.599 -1.386 1.00 0.00 C ATOM 155 CD ARG A 152 12.326 6.909 0.058 1.00 0.00 C ATOM 156 NE ARG A 152 11.345 8.029 0.080 1.00 0.00 N ATOM 157 CZ ARG A 152 10.230 7.905 0.746 1.00 0.00 C ATOM 158 NH1 ARG A 152 10.240 7.947 2.051 1.00 0.00 N ATOM 159 NH2 ARG A 152 9.105 7.737 0.110 1.00 0.00 N ATOM 0 H ARG A 152 13.061 2.824 -2.277 1.00 0.00 H new ATOM 0 HA ARG A 152 13.379 5.532 -3.539 1.00 0.00 H new ATOM 0 HB2 ARG A 152 13.339 4.654 -0.681 1.00 0.00 H new ATOM 0 HB3 ARG A 152 14.668 5.712 -1.111 1.00 0.00 H new ATOM 0 HG2 ARG A 152 13.200 7.466 -1.838 1.00 0.00 H new ATOM 0 HG3 ARG A 152 11.829 6.384 -1.978 1.00 0.00 H new ATOM 0 HD2 ARG A 152 11.894 6.025 0.526 1.00 0.00 H new ATOM 0 HD3 ARG A 152 13.211 7.176 0.636 1.00 0.00 H new ATOM 0 HE ARG A 152 11.545 8.892 -0.425 1.00 0.00 H new ATOM 0 HH11 ARG A 152 11.120 8.077 2.550 1.00 0.00 H new ATOM 0 HH12 ARG A 152 9.368 7.850 2.571 1.00 0.00 H new ATOM 0 HH21 ARG A 152 9.096 7.702 -0.909 1.00 0.00 H new ATOM 0 HH22 ARG A 152 8.234 7.640 0.632 1.00 0.00 H new ATOM 173 N PRO A 153 15.941 5.266 -3.546 1.00 0.00 N ATOM 174 CA PRO A 153 17.348 4.996 -3.886 1.00 0.00 C ATOM 175 C PRO A 153 18.192 4.892 -2.612 1.00 0.00 C ATOM 176 O PRO A 153 19.396 4.738 -2.665 1.00 0.00 O ATOM 177 CB PRO A 153 17.757 6.216 -4.715 1.00 0.00 C ATOM 178 CG PRO A 153 16.779 7.351 -4.332 1.00 0.00 C ATOM 179 CD PRO A 153 15.534 6.674 -3.727 1.00 0.00 C ATOM 0 HA PRO A 153 17.489 4.057 -4.422 1.00 0.00 H new ATOM 0 HB2 PRO A 153 18.787 6.503 -4.502 1.00 0.00 H new ATOM 0 HB3 PRO A 153 17.700 5.998 -5.781 1.00 0.00 H new ATOM 0 HG2 PRO A 153 17.237 8.032 -3.614 1.00 0.00 H new ATOM 0 HG3 PRO A 153 16.511 7.943 -5.207 1.00 0.00 H new ATOM 0 HD2 PRO A 153 15.252 7.132 -2.779 1.00 0.00 H new ATOM 0 HD3 PRO A 153 14.673 6.758 -4.390 1.00 0.00 H new ATOM 187 N TRP A 154 17.568 4.979 -1.469 1.00 0.00 N ATOM 188 CA TRP A 154 18.332 4.886 -0.193 1.00 0.00 C ATOM 189 C TRP A 154 18.059 3.533 0.468 1.00 0.00 C ATOM 190 O TRP A 154 18.706 3.155 1.425 1.00 0.00 O ATOM 191 CB TRP A 154 17.890 6.011 0.747 1.00 0.00 C ATOM 192 CG TRP A 154 19.070 6.855 1.108 1.00 0.00 C ATOM 193 CD1 TRP A 154 20.184 6.406 1.732 1.00 0.00 C ATOM 194 CD2 TRP A 154 19.273 8.281 0.882 1.00 0.00 C ATOM 195 NE1 TRP A 154 21.058 7.464 1.903 1.00 0.00 N ATOM 196 CE2 TRP A 154 20.543 8.641 1.396 1.00 0.00 C ATOM 197 CE3 TRP A 154 18.487 9.287 0.287 1.00 0.00 C ATOM 198 CZ2 TRP A 154 21.015 9.953 1.322 1.00 0.00 C ATOM 199 CZ3 TRP A 154 18.960 10.608 0.212 1.00 0.00 C ATOM 200 CH2 TRP A 154 20.221 10.940 0.728 1.00 0.00 C ATOM 0 H TRP A 154 16.562 5.110 -1.364 1.00 0.00 H new ATOM 0 HA TRP A 154 19.398 4.981 -0.399 1.00 0.00 H new ATOM 0 HB2 TRP A 154 17.127 6.622 0.265 1.00 0.00 H new ATOM 0 HB3 TRP A 154 17.441 5.591 1.647 1.00 0.00 H new ATOM 0 HD1 TRP A 154 20.361 5.388 2.045 1.00 0.00 H new ATOM 0 HE1 TRP A 154 21.972 7.385 2.349 1.00 0.00 H new ATOM 0 HE3 TRP A 154 17.515 9.042 -0.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 21.987 10.204 1.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 18.349 11.372 -0.246 1.00 0.00 H new ATOM 0 HH2 TRP A 154 20.579 11.957 0.667 1.00 0.00 H new ATOM 211 N GLY A 155 17.105 2.799 -0.036 1.00 0.00 N ATOM 212 CA GLY A 155 16.791 1.470 0.564 1.00 0.00 C ATOM 213 C GLY A 155 15.510 1.569 1.395 1.00 0.00 C ATOM 214 O GLY A 155 15.359 0.903 2.400 1.00 0.00 O ATOM 0 H GLY A 155 16.530 3.061 -0.836 1.00 0.00 H new ATOM 0 HA2 GLY A 155 16.669 0.725 -0.222 1.00 0.00 H new ATOM 0 HA3 GLY A 155 17.618 1.139 1.192 1.00 0.00 H new ATOM 218 N LYS A 156 14.587 2.396 0.987 1.00 0.00 N ATOM 219 CA LYS A 156 13.319 2.536 1.757 1.00 0.00 C ATOM 220 C LYS A 156 12.127 2.352 0.815 1.00 0.00 C ATOM 221 O LYS A 156 12.283 2.255 -0.386 1.00 0.00 O ATOM 222 CB LYS A 156 13.257 3.927 2.390 1.00 0.00 C ATOM 223 CG LYS A 156 13.871 3.879 3.790 1.00 0.00 C ATOM 224 CD LYS A 156 14.772 5.098 3.995 1.00 0.00 C ATOM 225 CE LYS A 156 16.209 4.636 4.245 1.00 0.00 C ATOM 226 NZ LYS A 156 17.090 5.827 4.410 1.00 0.00 N ATOM 0 H LYS A 156 14.656 2.981 0.154 1.00 0.00 H new ATOM 0 HA LYS A 156 13.285 1.778 2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 156 13.795 4.644 1.770 1.00 0.00 H new ATOM 0 HB3 LYS A 156 12.223 4.267 2.446 1.00 0.00 H new ATOM 0 HG2 LYS A 156 13.084 3.865 4.544 1.00 0.00 H new ATOM 0 HG3 LYS A 156 14.448 2.962 3.914 1.00 0.00 H new ATOM 0 HD2 LYS A 156 14.734 5.743 3.117 1.00 0.00 H new ATOM 0 HD3 LYS A 156 14.417 5.688 4.840 1.00 0.00 H new ATOM 0 HE2 LYS A 156 16.252 4.012 5.137 1.00 0.00 H new ATOM 0 HE3 LYS A 156 16.557 4.025 3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 18.081 5.519 4.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 16.979 6.457 3.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 16.825 6.337 5.277 1.00 0.00 H new ATOM 240 N PHE A 157 10.937 2.306 1.350 1.00 0.00 N ATOM 241 CA PHE A 157 9.737 2.131 0.482 1.00 0.00 C ATOM 242 C PHE A 157 8.570 2.940 1.059 1.00 0.00 C ATOM 243 O PHE A 157 8.709 3.614 2.060 1.00 0.00 O ATOM 244 CB PHE A 157 9.353 0.650 0.434 1.00 0.00 C ATOM 245 CG PHE A 157 10.429 -0.131 -0.281 1.00 0.00 C ATOM 246 CD1 PHE A 157 11.622 -0.446 0.382 1.00 0.00 C ATOM 247 CD2 PHE A 157 10.233 -0.542 -1.606 1.00 0.00 C ATOM 248 CE1 PHE A 157 12.620 -1.173 -0.280 1.00 0.00 C ATOM 249 CE2 PHE A 157 11.232 -1.268 -2.268 1.00 0.00 C ATOM 250 CZ PHE A 157 12.426 -1.584 -1.605 1.00 0.00 C ATOM 0 H PHE A 157 10.744 2.382 2.349 1.00 0.00 H new ATOM 0 HA PHE A 157 9.963 2.481 -0.525 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.222 0.265 1.445 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.399 0.528 -0.080 1.00 0.00 H new ATOM 0 HD1 PHE A 157 11.772 -0.129 1.403 1.00 0.00 H new ATOM 0 HD2 PHE A 157 9.313 -0.299 -2.117 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.539 -1.417 0.232 1.00 0.00 H new ATOM 0 HE2 PHE A 157 11.082 -1.584 -3.290 1.00 0.00 H new ATOM 0 HZ PHE A 157 13.196 -2.144 -2.115 1.00 0.00 H new ATOM 260 N ALA A 158 7.420 2.876 0.441 1.00 0.00 N ATOM 261 CA ALA A 158 6.250 3.639 0.967 1.00 0.00 C ATOM 262 C ALA A 158 4.952 2.956 0.547 1.00 0.00 C ATOM 263 O ALA A 158 4.521 3.055 -0.584 1.00 0.00 O ATOM 264 CB ALA A 158 6.270 5.067 0.418 1.00 0.00 C ATOM 0 H ALA A 158 7.241 2.331 -0.402 1.00 0.00 H new ATOM 0 HA ALA A 158 6.309 3.667 2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.413 5.618 0.806 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.190 5.563 0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.221 5.039 -0.671 1.00 0.00 H new ATOM 270 N ALA A 159 4.315 2.271 1.456 1.00 0.00 N ATOM 271 CA ALA A 159 3.036 1.595 1.112 1.00 0.00 C ATOM 272 C ALA A 159 1.906 2.625 1.140 1.00 0.00 C ATOM 273 O ALA A 159 1.683 3.289 2.133 1.00 0.00 O ATOM 274 CB ALA A 159 2.749 0.489 2.131 1.00 0.00 C ATOM 0 H ALA A 159 4.625 2.151 2.420 1.00 0.00 H new ATOM 0 HA ALA A 159 3.108 1.154 0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 159 1.811 -0.005 1.877 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.559 -0.240 2.115 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.672 0.924 3.128 1.00 0.00 H new ATOM 280 N GLU A 160 1.197 2.770 0.056 1.00 0.00 N ATOM 281 CA GLU A 160 0.087 3.760 0.021 1.00 0.00 C ATOM 282 C GLU A 160 -1.105 3.155 -0.719 1.00 0.00 C ATOM 283 O GLU A 160 -0.979 2.159 -1.406 1.00 0.00 O ATOM 284 CB GLU A 160 0.552 5.026 -0.704 1.00 0.00 C ATOM 285 CG GLU A 160 1.724 5.652 0.057 1.00 0.00 C ATOM 286 CD GLU A 160 2.859 5.966 -0.921 1.00 0.00 C ATOM 287 OE1 GLU A 160 2.666 6.826 -1.764 1.00 0.00 O ATOM 288 OE2 GLU A 160 3.901 5.342 -0.809 1.00 0.00 O ATOM 0 H GLU A 160 1.339 2.245 -0.807 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.207 4.016 1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 160 0.855 4.784 -1.723 1.00 0.00 H new ATOM 0 HB3 GLU A 160 -0.270 5.738 -0.777 1.00 0.00 H new ATOM 0 HG2 GLU A 160 1.400 6.564 0.559 1.00 0.00 H new ATOM 0 HG3 GLU A 160 2.075 4.969 0.831 1.00 0.00 H new ATOM 295 N ILE A 161 -2.263 3.740 -0.587 1.00 0.00 N ATOM 296 CA ILE A 161 -3.456 3.188 -1.286 1.00 0.00 C ATOM 297 C ILE A 161 -4.379 4.335 -1.704 1.00 0.00 C ATOM 298 O ILE A 161 -4.546 5.302 -0.988 1.00 0.00 O ATOM 299 CB ILE A 161 -4.204 2.242 -0.345 1.00 0.00 C ATOM 300 CG1 ILE A 161 -5.538 1.843 -0.976 1.00 0.00 C ATOM 301 CG2 ILE A 161 -4.461 2.945 0.988 1.00 0.00 C ATOM 302 CD1 ILE A 161 -6.243 0.828 -0.074 1.00 0.00 C ATOM 0 H ILE A 161 -2.434 4.575 -0.026 1.00 0.00 H new ATOM 0 HA ILE A 161 -3.138 2.640 -2.173 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.602 1.350 -0.175 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -6.166 2.723 -1.112 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -5.372 1.414 -1.964 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.994 2.271 1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.510 3.228 1.439 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -5.062 3.838 0.818 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -7.195 0.542 -0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.615 -0.056 0.039 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.422 1.274 0.905 1.00 0.00 H new ATOM 314 N ARG A 162 -4.978 4.235 -2.860 1.00 0.00 N ATOM 315 CA ARG A 162 -5.886 5.321 -3.325 1.00 0.00 C ATOM 316 C ARG A 162 -7.295 5.075 -2.783 1.00 0.00 C ATOM 317 O ARG A 162 -7.987 4.172 -3.211 1.00 0.00 O ATOM 318 CB ARG A 162 -5.922 5.333 -4.854 1.00 0.00 C ATOM 319 CG ARG A 162 -7.063 6.232 -5.332 1.00 0.00 C ATOM 320 CD ARG A 162 -6.641 6.958 -6.611 1.00 0.00 C ATOM 321 NE ARG A 162 -7.828 7.141 -7.493 1.00 0.00 N ATOM 322 CZ ARG A 162 -7.665 7.337 -8.773 1.00 0.00 C ATOM 323 NH1 ARG A 162 -6.834 8.252 -9.193 1.00 0.00 N ATOM 324 NH2 ARG A 162 -8.334 6.619 -9.632 1.00 0.00 N ATOM 0 H ARG A 162 -4.878 3.448 -3.502 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.521 6.282 -2.962 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -4.972 5.694 -5.248 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -6.060 4.320 -5.233 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -7.956 5.636 -5.518 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -7.318 6.956 -4.558 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -6.205 7.926 -6.365 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -5.873 6.385 -7.131 1.00 0.00 H new ATOM 0 HE ARG A 162 -8.767 7.113 -7.097 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -6.312 8.814 -8.521 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -6.707 8.405 -10.193 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -8.984 5.905 -9.303 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -8.207 6.772 -10.633 1.00 0.00 H new ATOM 338 N ASP A 163 -7.726 5.873 -1.844 1.00 0.00 N ATOM 339 CA ASP A 163 -9.090 5.687 -1.277 1.00 0.00 C ATOM 340 C ASP A 163 -10.051 6.692 -1.926 1.00 0.00 C ATOM 341 O ASP A 163 -9.922 7.883 -1.722 1.00 0.00 O ATOM 342 CB ASP A 163 -9.047 5.929 0.234 1.00 0.00 C ATOM 343 CG ASP A 163 -10.348 5.430 0.869 1.00 0.00 C ATOM 344 OD1 ASP A 163 -11.350 6.111 0.730 1.00 0.00 O ATOM 345 OD2 ASP A 163 -10.316 4.377 1.483 1.00 0.00 O ATOM 0 H ASP A 163 -7.192 6.645 -1.446 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.434 4.672 -1.475 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -8.194 5.410 0.672 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.914 6.991 0.439 1.00 0.00 H new ATOM 350 N PRO A 164 -10.986 6.188 -2.693 1.00 0.00 N ATOM 351 CA PRO A 164 -11.980 7.029 -3.384 1.00 0.00 C ATOM 352 C PRO A 164 -13.063 7.491 -2.404 1.00 0.00 C ATOM 353 O PRO A 164 -13.672 8.526 -2.580 1.00 0.00 O ATOM 354 CB PRO A 164 -12.563 6.096 -4.449 1.00 0.00 C ATOM 355 CG PRO A 164 -12.299 4.653 -3.956 1.00 0.00 C ATOM 356 CD PRO A 164 -11.144 4.740 -2.943 1.00 0.00 C ATOM 0 HA PRO A 164 -11.553 7.937 -3.811 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -13.631 6.273 -4.578 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -12.092 6.268 -5.417 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -13.191 4.233 -3.492 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -12.036 4.001 -4.789 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -11.379 4.201 -2.025 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -10.229 4.303 -3.344 1.00 0.00 H new ATOM 364 N ALA A 165 -13.304 6.728 -1.374 1.00 0.00 N ATOM 365 CA ALA A 165 -14.344 7.119 -0.385 1.00 0.00 C ATOM 366 C ALA A 165 -13.855 8.322 0.424 1.00 0.00 C ATOM 367 O ALA A 165 -14.598 8.918 1.179 1.00 0.00 O ATOM 368 CB ALA A 165 -14.615 5.947 0.560 1.00 0.00 C ATOM 0 H ALA A 165 -12.824 5.850 -1.175 1.00 0.00 H new ATOM 0 HA ALA A 165 -15.262 7.384 -0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -15.377 6.233 1.285 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -14.965 5.089 -0.015 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -13.697 5.682 1.084 1.00 0.00 H new ATOM 374 N LYS A 166 -12.610 8.683 0.275 1.00 0.00 N ATOM 375 CA LYS A 166 -12.075 9.845 1.038 1.00 0.00 C ATOM 376 C LYS A 166 -11.628 10.936 0.062 1.00 0.00 C ATOM 377 O LYS A 166 -10.619 11.584 0.259 1.00 0.00 O ATOM 378 CB LYS A 166 -10.881 9.393 1.882 1.00 0.00 C ATOM 379 CG LYS A 166 -11.263 8.147 2.682 1.00 0.00 C ATOM 380 CD LYS A 166 -11.775 8.561 4.062 1.00 0.00 C ATOM 381 CE LYS A 166 -13.280 8.829 3.990 1.00 0.00 C ATOM 382 NZ LYS A 166 -13.910 8.473 5.292 1.00 0.00 N ATOM 0 H LYS A 166 -11.940 8.223 -0.342 1.00 0.00 H new ATOM 0 HA LYS A 166 -12.853 10.241 1.691 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -10.028 9.177 1.238 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -10.576 10.192 2.557 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -12.031 7.583 2.152 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -10.400 7.490 2.785 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -11.569 7.775 4.789 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -11.252 9.455 4.403 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -13.463 9.879 3.760 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -13.726 8.244 3.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -14.933 8.655 5.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -13.746 7.466 5.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -13.491 9.050 6.049 1.00 0.00 H new ATOM 396 N ASN A 167 -12.373 11.145 -0.989 1.00 0.00 N ATOM 397 CA ASN A 167 -11.991 12.196 -1.976 1.00 0.00 C ATOM 398 C ASN A 167 -10.723 11.766 -2.715 1.00 0.00 C ATOM 399 O ASN A 167 -9.936 12.586 -3.145 1.00 0.00 O ATOM 400 CB ASN A 167 -11.728 13.513 -1.243 1.00 0.00 C ATOM 401 CG ASN A 167 -12.790 14.541 -1.641 1.00 0.00 C ATOM 402 OD1 ASN A 167 -12.926 14.871 -2.802 1.00 0.00 O ATOM 403 ND2 ASN A 167 -13.549 15.066 -0.719 1.00 0.00 N ATOM 0 H ASN A 167 -13.229 10.634 -1.207 1.00 0.00 H new ATOM 0 HA ASN A 167 -12.802 12.332 -2.692 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -11.749 13.352 -0.165 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -10.734 13.887 -1.490 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -14.258 15.754 -0.973 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -13.434 14.788 0.256 1.00 0.00 H new ATOM 410 N GLY A 168 -10.515 10.487 -2.868 1.00 0.00 N ATOM 411 CA GLY A 168 -9.293 10.014 -3.580 1.00 0.00 C ATOM 412 C GLY A 168 -8.050 10.456 -2.807 1.00 0.00 C ATOM 413 O GLY A 168 -6.988 10.635 -3.370 1.00 0.00 O ATOM 0 H GLY A 168 -11.136 9.751 -2.532 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -9.310 8.928 -3.672 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -9.269 10.419 -4.592 1.00 0.00 H new ATOM 417 N ALA A 169 -8.170 10.634 -1.519 1.00 0.00 N ATOM 418 CA ALA A 169 -6.994 11.064 -0.713 1.00 0.00 C ATOM 419 C ALA A 169 -5.960 9.937 -0.681 1.00 0.00 C ATOM 420 O ALA A 169 -6.211 8.866 -0.164 1.00 0.00 O ATOM 421 CB ALA A 169 -7.442 11.386 0.715 1.00 0.00 C ATOM 0 H ALA A 169 -9.032 10.500 -0.991 1.00 0.00 H new ATOM 0 HA ALA A 169 -6.551 11.953 -1.163 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -6.581 11.701 1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -8.179 12.189 0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -7.886 10.498 1.166 1.00 0.00 H new ATOM 427 N ARG A 170 -4.799 10.168 -1.228 1.00 0.00 N ATOM 428 CA ARG A 170 -3.752 9.109 -1.228 1.00 0.00 C ATOM 429 C ARG A 170 -3.433 8.715 0.215 1.00 0.00 C ATOM 430 O ARG A 170 -2.646 9.353 0.885 1.00 0.00 O ATOM 431 CB ARG A 170 -2.489 9.635 -1.911 1.00 0.00 C ATOM 432 CG ARG A 170 -2.624 9.464 -3.426 1.00 0.00 C ATOM 433 CD ARG A 170 -1.400 10.061 -4.123 1.00 0.00 C ATOM 434 NE ARG A 170 -1.843 11.084 -5.111 1.00 0.00 N ATOM 435 CZ ARG A 170 -1.811 10.815 -6.387 1.00 0.00 C ATOM 436 NH1 ARG A 170 -1.860 9.576 -6.795 1.00 0.00 N ATOM 437 NH2 ARG A 170 -1.731 11.785 -7.258 1.00 0.00 N ATOM 0 H ARG A 170 -4.530 11.045 -1.675 1.00 0.00 H new ATOM 0 HA ARG A 170 -4.115 8.237 -1.772 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -2.339 10.686 -1.664 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -1.614 9.095 -1.549 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -2.717 8.407 -3.676 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -3.531 9.956 -3.778 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -0.734 10.514 -3.388 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -0.835 9.276 -4.625 1.00 0.00 H new ATOM 0 HE ARG A 170 -2.171 11.995 -4.790 1.00 0.00 H new ATOM 0 HH11 ARG A 170 -1.923 8.818 -6.116 1.00 0.00 H new ATOM 0 HH12 ARG A 170 -1.835 9.366 -7.793 1.00 0.00 H new ATOM 0 HH21 ARG A 170 -1.693 12.754 -6.941 1.00 0.00 H new ATOM 0 HH22 ARG A 170 -1.706 11.574 -8.256 1.00 0.00 H new ATOM 451 N VAL A 171 -4.044 7.668 0.697 1.00 0.00 N ATOM 452 CA VAL A 171 -3.785 7.230 2.096 1.00 0.00 C ATOM 453 C VAL A 171 -2.353 6.701 2.211 1.00 0.00 C ATOM 454 O VAL A 171 -2.044 5.613 1.767 1.00 0.00 O ATOM 455 CB VAL A 171 -4.779 6.128 2.469 1.00 0.00 C ATOM 456 CG1 VAL A 171 -4.319 5.422 3.746 1.00 0.00 C ATOM 457 CG2 VAL A 171 -6.157 6.754 2.703 1.00 0.00 C ATOM 0 H VAL A 171 -4.713 7.096 0.181 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.907 8.074 2.775 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.834 5.401 1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -5.031 4.639 4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -3.336 4.979 3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -4.261 6.144 4.560 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.870 5.974 2.969 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -6.094 7.480 3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -6.489 7.254 1.793 1.00 0.00 H new ATOM 467 N TRP A 172 -1.477 7.467 2.803 1.00 0.00 N ATOM 468 CA TRP A 172 -0.064 7.016 2.948 1.00 0.00 C ATOM 469 C TRP A 172 0.046 6.059 4.135 1.00 0.00 C ATOM 470 O TRP A 172 0.124 6.475 5.274 1.00 0.00 O ATOM 471 CB TRP A 172 0.830 8.234 3.193 1.00 0.00 C ATOM 472 CG TRP A 172 2.267 7.813 3.220 1.00 0.00 C ATOM 473 CD1 TRP A 172 2.848 7.087 4.202 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.311 8.083 2.241 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.182 6.898 3.891 1.00 0.00 N ATOM 476 CE2 TRP A 172 4.514 7.491 2.694 1.00 0.00 C ATOM 477 CE3 TRP A 172 3.332 8.778 1.017 1.00 0.00 C ATOM 478 CZ2 TRP A 172 5.696 7.583 1.961 1.00 0.00 C ATOM 479 CZ3 TRP A 172 4.521 8.873 0.273 1.00 0.00 C ATOM 480 CH2 TRP A 172 5.700 8.276 0.745 1.00 0.00 C ATOM 0 H TRP A 172 -1.680 8.387 3.193 1.00 0.00 H new ATOM 0 HA TRP A 172 0.252 6.504 2.039 1.00 0.00 H new ATOM 0 HB2 TRP A 172 0.674 8.975 2.409 1.00 0.00 H new ATOM 0 HB3 TRP A 172 0.563 8.708 4.137 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.351 6.715 5.086 1.00 0.00 H new ATOM 0 HE1 TRP A 172 4.839 6.383 4.477 1.00 0.00 H new ATOM 0 HE3 TRP A 172 2.429 9.241 0.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 6.602 7.123 2.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 4.527 9.408 -0.665 1.00 0.00 H new ATOM 0 HH2 TRP A 172 6.611 8.351 0.170 1.00 0.00 H new ATOM 491 N LEU A 173 0.056 4.780 3.880 1.00 0.00 N ATOM 492 CA LEU A 173 0.164 3.804 5.001 1.00 0.00 C ATOM 493 C LEU A 173 1.430 4.106 5.805 1.00 0.00 C ATOM 494 O LEU A 173 1.447 4.004 7.015 1.00 0.00 O ATOM 495 CB LEU A 173 0.237 2.381 4.441 1.00 0.00 C ATOM 496 CG LEU A 173 -0.971 2.125 3.536 1.00 0.00 C ATOM 497 CD1 LEU A 173 -0.693 0.913 2.646 1.00 0.00 C ATOM 498 CD2 LEU A 173 -2.204 1.849 4.399 1.00 0.00 C ATOM 0 H LEU A 173 -0.006 4.369 2.948 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.710 3.888 5.646 1.00 0.00 H new ATOM 0 HB2 LEU A 173 1.161 2.247 3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 173 0.253 1.658 5.257 1.00 0.00 H new ATOM 0 HG LEU A 173 -1.150 3.001 2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -1.553 0.730 2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 173 0.186 1.107 2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -0.514 0.037 3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -3.065 1.667 3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -2.024 0.972 5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -2.403 2.711 5.036 1.00 0.00 H new ATOM 510 N GLY A 174 2.489 4.485 5.141 1.00 0.00 N ATOM 511 CA GLY A 174 3.752 4.801 5.870 1.00 0.00 C ATOM 512 C GLY A 174 4.940 4.183 5.133 1.00 0.00 C ATOM 513 O GLY A 174 4.796 3.251 4.368 1.00 0.00 O ATOM 0 H GLY A 174 2.535 4.589 4.127 1.00 0.00 H new ATOM 0 HA2 GLY A 174 3.880 5.881 5.945 1.00 0.00 H new ATOM 0 HA3 GLY A 174 3.702 4.415 6.888 1.00 0.00 H new ATOM 517 N THR A 175 6.120 4.700 5.359 1.00 0.00 N ATOM 518 CA THR A 175 7.317 4.144 4.670 1.00 0.00 C ATOM 519 C THR A 175 7.755 2.856 5.365 1.00 0.00 C ATOM 520 O THR A 175 7.583 2.690 6.557 1.00 0.00 O ATOM 521 CB THR A 175 8.460 5.162 4.704 1.00 0.00 C ATOM 522 OG1 THR A 175 9.260 4.939 5.857 1.00 0.00 O ATOM 523 CG2 THR A 175 7.889 6.578 4.742 1.00 0.00 C ATOM 0 H THR A 175 6.304 5.481 5.989 1.00 0.00 H new ATOM 0 HA THR A 175 7.064 3.928 3.632 1.00 0.00 H new ATOM 0 HB THR A 175 9.072 5.046 3.810 1.00 0.00 H new ATOM 0 HG1 THR A 175 9.993 5.590 5.878 1.00 0.00 H new ATOM 0 HG21 THR A 175 8.706 7.299 4.766 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.280 6.749 3.854 1.00 0.00 H new ATOM 0 HG23 THR A 175 7.273 6.698 5.633 1.00 0.00 H new ATOM 531 N PHE A 176 8.315 1.941 4.625 1.00 0.00 N ATOM 532 CA PHE A 176 8.761 0.656 5.233 1.00 0.00 C ATOM 533 C PHE A 176 10.265 0.483 5.026 1.00 0.00 C ATOM 534 O PHE A 176 10.958 1.400 4.628 1.00 0.00 O ATOM 535 CB PHE A 176 8.023 -0.500 4.562 1.00 0.00 C ATOM 536 CG PHE A 176 6.592 -0.509 5.030 1.00 0.00 C ATOM 537 CD1 PHE A 176 5.651 0.332 4.423 1.00 0.00 C ATOM 538 CD2 PHE A 176 6.206 -1.358 6.073 1.00 0.00 C ATOM 539 CE1 PHE A 176 4.322 0.323 4.861 1.00 0.00 C ATOM 540 CE2 PHE A 176 4.878 -1.367 6.512 1.00 0.00 C ATOM 541 CZ PHE A 176 3.934 -0.526 5.906 1.00 0.00 C ATOM 0 H PHE A 176 8.484 2.027 3.623 1.00 0.00 H new ATOM 0 HA PHE A 176 8.542 0.665 6.301 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.063 -0.393 3.478 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.505 -1.447 4.807 1.00 0.00 H new ATOM 0 HD1 PHE A 176 5.951 0.987 3.618 1.00 0.00 H new ATOM 0 HD2 PHE A 176 6.933 -2.006 6.539 1.00 0.00 H new ATOM 0 HE1 PHE A 176 3.595 0.971 4.393 1.00 0.00 H new ATOM 0 HE2 PHE A 176 4.580 -2.022 7.318 1.00 0.00 H new ATOM 0 HZ PHE A 176 2.908 -0.533 6.244 1.00 0.00 H new ATOM 551 N GLU A 177 10.775 -0.690 5.287 1.00 0.00 N ATOM 552 CA GLU A 177 12.233 -0.930 5.101 1.00 0.00 C ATOM 553 C GLU A 177 12.462 -1.634 3.761 1.00 0.00 C ATOM 554 O GLU A 177 13.464 -1.430 3.106 1.00 0.00 O ATOM 555 CB GLU A 177 12.760 -1.808 6.242 1.00 0.00 C ATOM 556 CG GLU A 177 11.899 -3.068 6.365 1.00 0.00 C ATOM 557 CD GLU A 177 12.470 -3.971 7.460 1.00 0.00 C ATOM 558 OE1 GLU A 177 13.473 -4.616 7.205 1.00 0.00 O ATOM 559 OE2 GLU A 177 11.893 -4.003 8.534 1.00 0.00 O ATOM 0 H GLU A 177 10.243 -1.493 5.622 1.00 0.00 H new ATOM 0 HA GLU A 177 12.764 0.022 5.108 1.00 0.00 H new ATOM 0 HB2 GLU A 177 13.798 -2.082 6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 177 12.743 -1.252 7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 177 10.870 -2.797 6.602 1.00 0.00 H new ATOM 0 HG3 GLU A 177 11.877 -3.601 5.414 1.00 0.00 H new ATOM 566 N THR A 178 11.536 -2.455 3.346 1.00 0.00 N ATOM 567 CA THR A 178 11.696 -3.166 2.044 1.00 0.00 C ATOM 568 C THR A 178 10.389 -3.071 1.254 1.00 0.00 C ATOM 569 O THR A 178 9.372 -2.645 1.765 1.00 0.00 O ATOM 570 CB THR A 178 12.034 -4.638 2.297 1.00 0.00 C ATOM 571 OG1 THR A 178 10.832 -5.370 2.495 1.00 0.00 O ATOM 572 CG2 THR A 178 12.920 -4.758 3.537 1.00 0.00 C ATOM 0 H THR A 178 10.675 -2.665 3.852 1.00 0.00 H new ATOM 0 HA THR A 178 12.504 -2.705 1.475 1.00 0.00 H new ATOM 0 HB THR A 178 12.568 -5.041 1.436 1.00 0.00 H new ATOM 0 HG1 THR A 178 11.046 -6.313 2.656 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.158 -5.807 3.714 1.00 0.00 H new ATOM 0 HG22 THR A 178 13.842 -4.198 3.381 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.392 -4.355 4.402 1.00 0.00 H new ATOM 580 N ALA A 179 10.406 -3.465 0.009 1.00 0.00 N ATOM 581 CA ALA A 179 9.165 -3.398 -0.811 1.00 0.00 C ATOM 582 C ALA A 179 8.242 -4.558 -0.438 1.00 0.00 C ATOM 583 O ALA A 179 7.047 -4.498 -0.635 1.00 0.00 O ATOM 584 CB ALA A 179 9.528 -3.499 -2.291 1.00 0.00 C ATOM 0 H ALA A 179 11.226 -3.830 -0.475 1.00 0.00 H new ATOM 0 HA ALA A 179 8.657 -2.452 -0.621 1.00 0.00 H new ATOM 0 HB1 ALA A 179 8.620 -3.450 -2.892 1.00 0.00 H new ATOM 0 HB2 ALA A 179 10.187 -2.674 -2.561 1.00 0.00 H new ATOM 0 HB3 ALA A 179 10.036 -4.445 -2.477 1.00 0.00 H new ATOM 590 N GLU A 180 8.788 -5.615 0.095 1.00 0.00 N ATOM 591 CA GLU A 180 7.938 -6.779 0.477 1.00 0.00 C ATOM 592 C GLU A 180 7.128 -6.437 1.728 1.00 0.00 C ATOM 593 O GLU A 180 5.988 -6.835 1.869 1.00 0.00 O ATOM 594 CB GLU A 180 8.828 -7.992 0.759 1.00 0.00 C ATOM 595 CG GLU A 180 7.955 -9.238 0.931 1.00 0.00 C ATOM 596 CD GLU A 180 8.607 -10.180 1.944 1.00 0.00 C ATOM 597 OE1 GLU A 180 9.288 -9.688 2.828 1.00 0.00 O ATOM 598 OE2 GLU A 180 8.414 -11.378 1.819 1.00 0.00 O ATOM 0 H GLU A 180 9.785 -5.724 0.283 1.00 0.00 H new ATOM 0 HA GLU A 180 7.256 -7.011 -0.341 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.532 -8.138 -0.061 1.00 0.00 H new ATOM 0 HB3 GLU A 180 9.418 -7.822 1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 180 6.959 -8.954 1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 180 7.832 -9.744 -0.026 1.00 0.00 H new ATOM 605 N ASP A 181 7.703 -5.701 2.637 1.00 0.00 N ATOM 606 CA ASP A 181 6.962 -5.334 3.875 1.00 0.00 C ATOM 607 C ASP A 181 5.938 -4.245 3.552 1.00 0.00 C ATOM 608 O ASP A 181 4.800 -4.310 3.969 1.00 0.00 O ATOM 609 CB ASP A 181 7.940 -4.811 4.932 1.00 0.00 C ATOM 610 CG ASP A 181 9.320 -5.438 4.720 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.387 -6.651 4.605 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.285 -4.695 4.678 1.00 0.00 O ATOM 0 H ASP A 181 8.654 -5.338 2.576 1.00 0.00 H new ATOM 0 HA ASP A 181 6.452 -6.217 4.261 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.011 -3.725 4.869 1.00 0.00 H new ATOM 0 HB3 ASP A 181 7.572 -5.049 5.930 1.00 0.00 H new ATOM 617 N ALA A 182 6.333 -3.244 2.812 1.00 0.00 N ATOM 618 CA ALA A 182 5.377 -2.156 2.463 1.00 0.00 C ATOM 619 C ALA A 182 4.219 -2.740 1.654 1.00 0.00 C ATOM 620 O ALA A 182 3.065 -2.476 1.922 1.00 0.00 O ATOM 621 CB ALA A 182 6.095 -1.089 1.634 1.00 0.00 C ATOM 0 H ALA A 182 7.274 -3.133 2.435 1.00 0.00 H new ATOM 0 HA ALA A 182 4.991 -1.703 3.376 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.394 -0.294 1.379 1.00 0.00 H new ATOM 0 HB2 ALA A 182 6.921 -0.674 2.212 1.00 0.00 H new ATOM 0 HB3 ALA A 182 6.482 -1.538 0.719 1.00 0.00 H new ATOM 627 N ALA A 183 4.522 -3.536 0.669 1.00 0.00 N ATOM 628 CA ALA A 183 3.443 -4.144 -0.159 1.00 0.00 C ATOM 629 C ALA A 183 2.514 -4.954 0.746 1.00 0.00 C ATOM 630 O ALA A 183 1.307 -4.907 0.613 1.00 0.00 O ATOM 631 CB ALA A 183 4.056 -5.066 -1.215 1.00 0.00 C ATOM 0 H ALA A 183 5.472 -3.793 0.400 1.00 0.00 H new ATOM 0 HA ALA A 183 2.879 -3.355 -0.657 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.262 -5.508 -1.817 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.722 -4.491 -1.858 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.621 -5.858 -0.723 1.00 0.00 H new ATOM 637 N LEU A 184 3.067 -5.694 1.669 1.00 0.00 N ATOM 638 CA LEU A 184 2.216 -6.504 2.584 1.00 0.00 C ATOM 639 C LEU A 184 1.300 -5.569 3.373 1.00 0.00 C ATOM 640 O LEU A 184 0.140 -5.856 3.594 1.00 0.00 O ATOM 641 CB LEU A 184 3.105 -7.285 3.553 1.00 0.00 C ATOM 642 CG LEU A 184 2.266 -8.340 4.276 1.00 0.00 C ATOM 643 CD1 LEU A 184 1.826 -9.414 3.280 1.00 0.00 C ATOM 644 CD2 LEU A 184 3.104 -8.983 5.383 1.00 0.00 C ATOM 0 H LEU A 184 4.072 -5.772 1.828 1.00 0.00 H new ATOM 0 HA LEU A 184 1.616 -7.204 2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 184 3.921 -7.763 3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.557 -6.606 4.276 1.00 0.00 H new ATOM 0 HG LEU A 184 1.385 -7.869 4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 184 1.228 -10.166 3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 184 1.230 -8.956 2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 184 2.705 -9.887 2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 184 2.508 -9.735 5.900 1.00 0.00 H new ATOM 0 HD22 LEU A 184 3.984 -9.455 4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 184 3.417 -8.218 6.093 1.00 0.00 H new ATOM 656 N ALA A 185 1.813 -4.447 3.791 1.00 0.00 N ATOM 657 CA ALA A 185 0.980 -3.482 4.559 1.00 0.00 C ATOM 658 C ALA A 185 -0.117 -2.934 3.647 1.00 0.00 C ATOM 659 O ALA A 185 -1.159 -2.500 4.099 1.00 0.00 O ATOM 660 CB ALA A 185 1.859 -2.332 5.055 1.00 0.00 C ATOM 0 H ALA A 185 2.778 -4.155 3.633 1.00 0.00 H new ATOM 0 HA ALA A 185 0.528 -3.983 5.415 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.250 -1.625 5.618 1.00 0.00 H new ATOM 0 HB2 ALA A 185 2.645 -2.726 5.699 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.310 -1.824 4.202 1.00 0.00 H new ATOM 666 N TYR A 186 0.108 -2.958 2.362 1.00 0.00 N ATOM 667 CA TYR A 186 -0.918 -2.445 1.410 1.00 0.00 C ATOM 668 C TYR A 186 -2.086 -3.429 1.350 1.00 0.00 C ATOM 669 O TYR A 186 -3.215 -3.052 1.113 1.00 0.00 O ATOM 670 CB TYR A 186 -0.296 -2.302 0.019 1.00 0.00 C ATOM 671 CG TYR A 186 -1.382 -2.032 -0.992 1.00 0.00 C ATOM 672 CD1 TYR A 186 -2.209 -3.076 -1.425 1.00 0.00 C ATOM 673 CD2 TYR A 186 -1.564 -0.738 -1.498 1.00 0.00 C ATOM 674 CE1 TYR A 186 -3.219 -2.828 -2.362 1.00 0.00 C ATOM 675 CE2 TYR A 186 -2.574 -0.490 -2.437 1.00 0.00 C ATOM 676 CZ TYR A 186 -3.403 -1.535 -2.869 1.00 0.00 C ATOM 677 OH TYR A 186 -4.398 -1.290 -3.792 1.00 0.00 O ATOM 0 H TYR A 186 0.961 -3.312 1.929 1.00 0.00 H new ATOM 0 HA TYR A 186 -1.277 -1.473 1.747 1.00 0.00 H new ATOM 0 HB2 TYR A 186 0.430 -1.489 0.015 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.244 -3.212 -0.245 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -2.067 -4.073 -1.036 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.926 0.067 -1.165 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -3.857 -3.634 -2.694 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -2.714 0.507 -2.828 1.00 0.00 H new ATOM 0 HH TYR A 186 -4.389 -0.342 -4.039 1.00 0.00 H new ATOM 687 N ASP A 187 -1.822 -4.690 1.559 1.00 0.00 N ATOM 688 CA ASP A 187 -2.909 -5.701 1.515 1.00 0.00 C ATOM 689 C ASP A 187 -3.794 -5.556 2.751 1.00 0.00 C ATOM 690 O ASP A 187 -5.003 -5.481 2.660 1.00 0.00 O ATOM 691 CB ASP A 187 -2.288 -7.096 1.492 1.00 0.00 C ATOM 692 CG ASP A 187 -1.303 -7.197 0.327 1.00 0.00 C ATOM 693 OD1 ASP A 187 -0.888 -6.161 -0.164 1.00 0.00 O ATOM 694 OD2 ASP A 187 -0.979 -8.310 -0.054 1.00 0.00 O ATOM 0 H ASP A 187 -0.894 -5.062 1.759 1.00 0.00 H new ATOM 0 HA ASP A 187 -3.515 -5.552 0.622 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.775 -7.293 2.434 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -3.068 -7.851 1.389 1.00 0.00 H new ATOM 699 N ARG A 188 -3.197 -5.517 3.908 1.00 0.00 N ATOM 700 CA ARG A 188 -3.999 -5.377 5.156 1.00 0.00 C ATOM 701 C ARG A 188 -4.778 -4.061 5.118 1.00 0.00 C ATOM 702 O ARG A 188 -5.839 -3.940 5.698 1.00 0.00 O ATOM 703 CB ARG A 188 -3.063 -5.383 6.368 1.00 0.00 C ATOM 704 CG ARG A 188 -2.402 -6.757 6.494 1.00 0.00 C ATOM 705 CD ARG A 188 -2.844 -7.420 7.801 1.00 0.00 C ATOM 706 NE ARG A 188 -2.631 -8.892 7.707 1.00 0.00 N ATOM 707 CZ ARG A 188 -2.927 -9.661 8.719 1.00 0.00 C ATOM 708 NH1 ARG A 188 -2.604 -9.300 9.931 1.00 0.00 N ATOM 709 NH2 ARG A 188 -3.546 -10.793 8.519 1.00 0.00 N ATOM 0 H ARG A 188 -2.188 -5.576 4.045 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.698 -6.210 5.233 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -2.302 -4.610 6.257 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -3.623 -5.152 7.274 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -2.677 -7.383 5.645 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -1.317 -6.653 6.476 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -2.277 -7.012 8.638 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -3.895 -7.205 7.993 1.00 0.00 H new ATOM 0 HE ARG A 188 -2.254 -9.299 6.851 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -2.120 -8.416 10.088 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -2.836 -9.902 10.721 1.00 0.00 H new ATOM 0 HH21 ARG A 188 -3.798 -11.076 7.572 1.00 0.00 H new ATOM 0 HH22 ARG A 188 -3.777 -11.394 9.310 1.00 0.00 H new ATOM 723 N ALA A 189 -4.263 -3.074 4.437 1.00 0.00 N ATOM 724 CA ALA A 189 -4.979 -1.770 4.361 1.00 0.00 C ATOM 725 C ALA A 189 -5.909 -1.775 3.148 1.00 0.00 C ATOM 726 O ALA A 189 -6.843 -1.002 3.063 1.00 0.00 O ATOM 727 CB ALA A 189 -3.959 -0.638 4.218 1.00 0.00 C ATOM 0 H ALA A 189 -3.378 -3.114 3.931 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.564 -1.619 5.268 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.481 0.317 4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -3.293 -0.638 5.081 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.376 -0.786 3.309 1.00 0.00 H new ATOM 733 N ALA A 190 -5.662 -2.647 2.211 1.00 0.00 N ATOM 734 CA ALA A 190 -6.529 -2.713 1.002 1.00 0.00 C ATOM 735 C ALA A 190 -7.622 -3.759 1.222 1.00 0.00 C ATOM 736 O ALA A 190 -8.541 -3.883 0.438 1.00 0.00 O ATOM 737 CB ALA A 190 -5.684 -3.101 -0.213 1.00 0.00 C ATOM 0 H ALA A 190 -4.895 -3.319 2.231 1.00 0.00 H new ATOM 0 HA ALA A 190 -6.986 -1.739 0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -6.319 -3.149 -1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -4.904 -2.355 -0.367 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -5.226 -4.075 -0.042 1.00 0.00 H new ATOM 743 N PHE A 191 -7.534 -4.506 2.288 1.00 0.00 N ATOM 744 CA PHE A 191 -8.572 -5.535 2.563 1.00 0.00 C ATOM 745 C PHE A 191 -9.462 -5.039 3.700 1.00 0.00 C ATOM 746 O PHE A 191 -10.649 -5.296 3.734 1.00 0.00 O ATOM 747 CB PHE A 191 -7.900 -6.849 2.966 1.00 0.00 C ATOM 748 CG PHE A 191 -8.669 -8.010 2.384 1.00 0.00 C ATOM 749 CD1 PHE A 191 -9.757 -8.551 3.083 1.00 0.00 C ATOM 750 CD2 PHE A 191 -8.294 -8.548 1.146 1.00 0.00 C ATOM 751 CE1 PHE A 191 -10.469 -9.630 2.544 1.00 0.00 C ATOM 752 CE2 PHE A 191 -9.007 -9.627 0.606 1.00 0.00 C ATOM 753 CZ PHE A 191 -10.095 -10.168 1.305 1.00 0.00 C ATOM 0 H PHE A 191 -6.787 -4.447 2.980 1.00 0.00 H new ATOM 0 HA PHE A 191 -9.173 -5.706 1.670 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -6.870 -6.867 2.610 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -7.863 -6.932 4.052 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -10.046 -8.136 4.037 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -7.456 -8.131 0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -11.306 -10.048 3.083 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -8.718 -10.042 -0.349 1.00 0.00 H new ATOM 0 HZ PHE A 191 -10.645 -10.999 0.889 1.00 0.00 H new ATOM 763 N ARG A 192 -8.896 -4.315 4.624 1.00 0.00 N ATOM 764 CA ARG A 192 -9.704 -3.782 5.753 1.00 0.00 C ATOM 765 C ARG A 192 -10.447 -2.538 5.277 1.00 0.00 C ATOM 766 O ARG A 192 -11.593 -2.314 5.613 1.00 0.00 O ATOM 767 CB ARG A 192 -8.776 -3.406 6.909 1.00 0.00 C ATOM 768 CG ARG A 192 -9.610 -2.951 8.107 1.00 0.00 C ATOM 769 CD ARG A 192 -9.697 -1.424 8.121 1.00 0.00 C ATOM 770 NE ARG A 192 -8.409 -0.857 8.611 1.00 0.00 N ATOM 771 CZ ARG A 192 -8.165 -0.803 9.892 1.00 0.00 C ATOM 772 NH1 ARG A 192 -9.047 -0.284 10.701 1.00 0.00 N ATOM 773 NH2 ARG A 192 -7.039 -1.266 10.364 1.00 0.00 N ATOM 0 H ARG A 192 -7.906 -4.069 4.645 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.415 -4.536 6.091 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -8.159 -4.260 7.186 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -8.098 -2.610 6.601 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -10.610 -3.382 8.052 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -9.160 -3.308 9.033 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -9.912 -1.052 7.119 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -10.516 -1.102 8.764 1.00 0.00 H new ATOM 0 HE ARG A 192 -7.718 -0.511 7.945 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -9.926 0.079 10.332 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -8.858 -0.241 11.702 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -6.349 -1.671 9.731 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -6.850 -1.223 11.365 1.00 0.00 H new ATOM 787 N MET A 193 -9.795 -1.726 4.494 1.00 0.00 N ATOM 788 CA MET A 193 -10.446 -0.490 3.983 1.00 0.00 C ATOM 789 C MET A 193 -11.482 -0.856 2.918 1.00 0.00 C ATOM 790 O MET A 193 -12.479 -0.181 2.752 1.00 0.00 O ATOM 791 CB MET A 193 -9.386 0.425 3.367 1.00 0.00 C ATOM 792 CG MET A 193 -9.861 1.877 3.444 1.00 0.00 C ATOM 793 SD MET A 193 -8.633 2.867 4.331 1.00 0.00 S ATOM 794 CE MET A 193 -7.326 2.780 3.083 1.00 0.00 C ATOM 0 H MET A 193 -8.833 -1.867 4.185 1.00 0.00 H new ATOM 0 HA MET A 193 -10.941 0.025 4.807 1.00 0.00 H new ATOM 0 HB2 MET A 193 -8.440 0.312 3.896 1.00 0.00 H new ATOM 0 HB3 MET A 193 -9.206 0.144 2.329 1.00 0.00 H new ATOM 0 HG2 MET A 193 -10.009 2.276 2.441 1.00 0.00 H new ATOM 0 HG3 MET A 193 -10.823 1.930 3.954 1.00 0.00 H new ATOM 0 HE1 MET A 193 -6.809 3.738 3.030 1.00 0.00 H new ATOM 0 HE2 MET A 193 -6.616 1.999 3.354 1.00 0.00 H new ATOM 0 HE3 MET A 193 -7.765 2.550 2.112 1.00 0.00 H new ATOM 804 N ARG A 194 -11.260 -1.919 2.194 1.00 0.00 N ATOM 805 CA ARG A 194 -12.237 -2.317 1.143 1.00 0.00 C ATOM 806 C ARG A 194 -13.189 -3.376 1.703 1.00 0.00 C ATOM 807 O ARG A 194 -14.085 -3.840 1.025 1.00 0.00 O ATOM 808 CB ARG A 194 -11.487 -2.894 -0.059 1.00 0.00 C ATOM 809 CG ARG A 194 -11.447 -1.858 -1.185 1.00 0.00 C ATOM 810 CD ARG A 194 -10.447 -2.306 -2.252 1.00 0.00 C ATOM 811 NE ARG A 194 -10.743 -1.609 -3.534 1.00 0.00 N ATOM 812 CZ ARG A 194 -10.245 -2.060 -4.654 1.00 0.00 C ATOM 813 NH1 ARG A 194 -9.039 -2.558 -4.678 1.00 0.00 N ATOM 814 NH2 ARG A 194 -10.953 -2.015 -5.749 1.00 0.00 N ATOM 0 H ARG A 194 -10.446 -2.527 2.285 1.00 0.00 H new ATOM 0 HA ARG A 194 -12.808 -1.443 0.831 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -10.473 -3.170 0.231 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -11.979 -3.803 -0.405 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -12.438 -1.744 -1.625 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -11.160 -0.884 -0.788 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -9.430 -2.081 -1.930 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -10.506 -3.386 -2.391 1.00 0.00 H new ATOM 0 HE ARG A 194 -11.335 -0.779 -3.538 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -8.485 -2.595 -3.822 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -8.650 -2.910 -5.553 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -11.896 -1.627 -5.731 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -10.563 -2.367 -6.623 1.00 0.00 H new ATOM 828 N GLY A 195 -13.004 -3.765 2.935 1.00 0.00 N ATOM 829 CA GLY A 195 -13.900 -4.795 3.533 1.00 0.00 C ATOM 830 C GLY A 195 -13.486 -6.180 3.036 1.00 0.00 C ATOM 831 O GLY A 195 -12.704 -6.867 3.664 1.00 0.00 O ATOM 0 H GLY A 195 -12.272 -3.414 3.553 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -13.843 -4.755 4.621 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -14.936 -4.594 3.261 1.00 0.00 H new ATOM 835 N SER A 196 -14.001 -6.598 1.912 1.00 0.00 N ATOM 836 CA SER A 196 -13.632 -7.939 1.378 1.00 0.00 C ATOM 837 C SER A 196 -13.358 -7.831 -0.123 1.00 0.00 C ATOM 838 O SER A 196 -13.711 -6.859 -0.761 1.00 0.00 O ATOM 839 CB SER A 196 -14.783 -8.919 1.617 1.00 0.00 C ATOM 840 OG SER A 196 -14.652 -9.489 2.912 1.00 0.00 O ATOM 0 H SER A 196 -14.661 -6.069 1.341 1.00 0.00 H new ATOM 0 HA SER A 196 -12.738 -8.299 1.887 1.00 0.00 H new ATOM 0 HB2 SER A 196 -15.739 -8.403 1.529 1.00 0.00 H new ATOM 0 HB3 SER A 196 -14.772 -9.702 0.859 1.00 0.00 H new ATOM 0 HG SER A 196 -15.388 -10.116 3.069 1.00 0.00 H new ATOM 846 N ARG A 197 -12.728 -8.822 -0.691 1.00 0.00 N ATOM 847 CA ARG A 197 -12.429 -8.777 -2.149 1.00 0.00 C ATOM 848 C ARG A 197 -11.620 -7.518 -2.465 1.00 0.00 C ATOM 849 O ARG A 197 -12.125 -6.414 -2.416 1.00 0.00 O ATOM 850 CB ARG A 197 -13.739 -8.752 -2.939 1.00 0.00 C ATOM 851 CG ARG A 197 -13.894 -10.061 -3.715 1.00 0.00 C ATOM 852 CD ARG A 197 -15.321 -10.170 -4.252 1.00 0.00 C ATOM 853 NE ARG A 197 -15.334 -9.820 -5.701 1.00 0.00 N ATOM 854 CZ ARG A 197 -14.856 -10.658 -6.578 1.00 0.00 C ATOM 855 NH1 ARG A 197 -15.607 -11.620 -7.038 1.00 0.00 N ATOM 856 NH2 ARG A 197 -13.625 -10.537 -6.995 1.00 0.00 N ATOM 0 H ARG A 197 -12.407 -9.661 -0.208 1.00 0.00 H new ATOM 0 HA ARG A 197 -11.853 -9.659 -2.428 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -14.582 -8.617 -2.261 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -13.745 -7.907 -3.627 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -13.181 -10.094 -4.539 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -13.672 -10.909 -3.067 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -15.699 -11.182 -4.108 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -15.981 -9.501 -3.699 1.00 0.00 H new ATOM 0 HE ARG A 197 -15.717 -8.925 -6.006 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -16.569 -11.717 -6.712 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -15.233 -12.275 -7.724 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -13.036 -9.786 -6.635 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -13.252 -11.193 -7.681 1.00 0.00 H new ATOM 870 N ALA A 198 -10.367 -7.673 -2.790 1.00 0.00 N ATOM 871 CA ALA A 198 -9.529 -6.485 -3.108 1.00 0.00 C ATOM 872 C ALA A 198 -8.265 -6.934 -3.843 1.00 0.00 C ATOM 873 O ALA A 198 -7.772 -8.026 -3.642 1.00 0.00 O ATOM 874 CB ALA A 198 -9.138 -5.775 -1.810 1.00 0.00 C ATOM 0 H ALA A 198 -9.887 -8.571 -2.849 1.00 0.00 H new ATOM 0 HA ALA A 198 -10.094 -5.801 -3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -8.524 -4.905 -2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -10.038 -5.455 -1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -8.573 -6.459 -1.177 1.00 0.00 H new ATOM 880 N LEU A 199 -7.735 -6.099 -4.694 1.00 0.00 N ATOM 881 CA LEU A 199 -6.503 -6.477 -5.442 1.00 0.00 C ATOM 882 C LEU A 199 -5.273 -5.994 -4.671 1.00 0.00 C ATOM 883 O LEU A 199 -5.089 -4.812 -4.454 1.00 0.00 O ATOM 884 CB LEU A 199 -6.527 -5.825 -6.826 1.00 0.00 C ATOM 885 CG LEU A 199 -6.562 -6.912 -7.902 1.00 0.00 C ATOM 886 CD1 LEU A 199 -7.767 -7.823 -7.669 1.00 0.00 C ATOM 887 CD2 LEU A 199 -6.677 -6.259 -9.281 1.00 0.00 C ATOM 0 H LEU A 199 -8.102 -5.171 -4.904 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.461 -7.561 -5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.399 -5.178 -6.920 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -5.647 -5.196 -6.958 1.00 0.00 H new ATOM 0 HG LEU A 199 -5.646 -7.501 -7.852 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -7.791 -8.597 -8.436 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -7.687 -8.288 -6.686 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -8.683 -7.234 -7.718 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -6.702 -7.032 -10.049 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -7.593 -5.670 -9.329 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -5.818 -5.609 -9.449 1.00 0.00 H new ATOM 899 N LEU A 200 -4.429 -6.897 -4.252 1.00 0.00 N ATOM 900 CA LEU A 200 -3.214 -6.489 -3.493 1.00 0.00 C ATOM 901 C LEU A 200 -1.976 -7.102 -4.148 1.00 0.00 C ATOM 902 O LEU A 200 -2.074 -7.885 -5.072 1.00 0.00 O ATOM 903 CB LEU A 200 -3.303 -6.970 -2.037 1.00 0.00 C ATOM 904 CG LEU A 200 -4.472 -7.944 -1.861 1.00 0.00 C ATOM 905 CD1 LEU A 200 -4.216 -8.835 -0.645 1.00 0.00 C ATOM 906 CD2 LEU A 200 -5.764 -7.152 -1.648 1.00 0.00 C ATOM 0 H LEU A 200 -4.529 -7.901 -4.403 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.144 -5.401 -3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.371 -7.457 -1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.432 -6.115 -1.373 1.00 0.00 H new ATOM 0 HG LEU A 200 -4.566 -8.565 -2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.048 -9.528 -0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -3.294 -9.398 -0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -4.123 -8.215 0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.598 -7.843 -1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.668 -6.533 -0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -5.947 -6.515 -2.514 1.00 0.00 H new ATOM 918 N ASN A 201 -0.811 -6.760 -3.671 1.00 0.00 N ATOM 919 CA ASN A 201 0.432 -7.336 -4.263 1.00 0.00 C ATOM 920 C ASN A 201 0.512 -8.814 -3.886 1.00 0.00 C ATOM 921 O ASN A 201 0.979 -9.639 -4.648 1.00 0.00 O ATOM 922 CB ASN A 201 1.669 -6.612 -3.719 1.00 0.00 C ATOM 923 CG ASN A 201 1.302 -5.194 -3.281 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.432 -4.869 -2.027 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 0.895 -4.379 -4.086 1.00 0.00 N flip ATOM 0 H ASN A 201 -0.665 -6.109 -2.900 1.00 0.00 H new ATOM 0 HA ASN A 201 0.403 -7.217 -5.346 1.00 0.00 H new ATOM 0 HB2 ASN A 201 2.081 -7.166 -2.875 1.00 0.00 H new ATOM 0 HB3 ASN A 201 2.444 -6.575 -4.485 1.00 0.00 H new ATOM 0 HD21 ASN A 201 0.795 -4.638 -5.068 1.00 0.00 H new ATOM 0 HD22 ASN A 201 0.654 -3.436 -3.780 1.00 0.00 H new ATOM 932 N PHE A 202 0.053 -9.151 -2.714 1.00 0.00 N ATOM 933 CA PHE A 202 0.091 -10.572 -2.272 1.00 0.00 C ATOM 934 C PHE A 202 -1.334 -11.037 -1.961 1.00 0.00 C ATOM 935 O PHE A 202 -1.763 -10.997 -0.827 1.00 0.00 O ATOM 936 CB PHE A 202 0.955 -10.690 -1.014 1.00 0.00 C ATOM 937 CG PHE A 202 2.209 -9.867 -1.181 1.00 0.00 C ATOM 938 CD1 PHE A 202 2.832 -9.793 -2.431 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.750 -9.182 -0.084 1.00 0.00 C ATOM 940 CE1 PHE A 202 3.997 -9.034 -2.587 1.00 0.00 C ATOM 941 CE2 PHE A 202 3.916 -8.423 -0.241 1.00 0.00 C ATOM 942 CZ PHE A 202 4.540 -8.348 -1.493 1.00 0.00 C ATOM 0 H PHE A 202 -0.349 -8.500 -2.040 1.00 0.00 H new ATOM 0 HA PHE A 202 0.515 -11.193 -3.061 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.396 -10.347 -0.143 1.00 0.00 H new ATOM 0 HB3 PHE A 202 1.214 -11.734 -0.835 1.00 0.00 H new ATOM 0 HD1 PHE A 202 2.414 -10.321 -3.275 1.00 0.00 H new ATOM 0 HD2 PHE A 202 2.268 -9.240 0.881 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.478 -8.977 -3.552 1.00 0.00 H new ATOM 0 HE2 PHE A 202 4.334 -7.895 0.603 1.00 0.00 H new ATOM 0 HZ PHE A 202 5.439 -7.762 -1.615 1.00 0.00 H new ATOM 952 N PRO A 203 -2.029 -11.458 -2.987 1.00 0.00 N ATOM 953 CA PRO A 203 -3.417 -11.933 -2.864 1.00 0.00 C ATOM 954 C PRO A 203 -3.449 -13.350 -2.284 1.00 0.00 C ATOM 955 O PRO A 203 -2.936 -14.284 -2.870 1.00 0.00 O ATOM 956 CB PRO A 203 -3.932 -11.918 -4.305 1.00 0.00 C ATOM 957 CG PRO A 203 -2.683 -11.987 -5.215 1.00 0.00 C ATOM 958 CD PRO A 203 -1.493 -11.504 -4.364 1.00 0.00 C ATOM 0 HA PRO A 203 -4.022 -11.320 -2.196 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -4.594 -12.764 -4.490 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -4.507 -11.013 -4.503 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -2.518 -13.004 -5.570 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -2.810 -11.358 -6.096 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -0.646 -12.186 -4.439 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -1.143 -10.524 -4.688 1.00 0.00 H new