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 -62:sc= 0.642 USER MOD Single : A 151 GLN : amide:sc= -0.0407 X(o=-0.041,f=-0.21) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 LYS NZ :NH3+ 146:sc= -0.0997 (180deg=-0.716) USER MOD Single : A 167 ASN : amide:sc=-0.00673 X(o=-0.0067,f=0.089) USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 193 MET CE :methyl 150:sc= -0.839 (180deg=-2.94!) USER MOD Single : A 196 SER OG : rot 180:sc= -0.0705 USER MOD Single : A 201 ASN :FLIP amide:sc= -3.75! C(o=-9.2!,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.609 -3.089 -6.508 1.00 0.00 N ATOM 41 CA TYR A 146 4.176 -3.449 -6.304 1.00 0.00 C ATOM 42 C TYR A 146 3.288 -2.280 -6.738 1.00 0.00 C ATOM 43 O TYR A 146 3.729 -1.148 -6.807 1.00 0.00 O ATOM 44 CB TYR A 146 3.935 -3.751 -4.823 1.00 0.00 C ATOM 45 CG TYR A 146 4.686 -5.001 -4.432 1.00 0.00 C ATOM 46 CD1 TYR A 146 4.296 -6.240 -4.955 1.00 0.00 C ATOM 47 CD2 TYR A 146 5.767 -4.925 -3.541 1.00 0.00 C ATOM 48 CE1 TYR A 146 4.986 -7.403 -4.591 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.455 -6.089 -3.176 1.00 0.00 C ATOM 50 CZ TYR A 146 6.065 -7.327 -3.701 1.00 0.00 C ATOM 51 OH TYR A 146 6.743 -8.473 -3.340 1.00 0.00 O ATOM 0 HA TYR A 146 3.933 -4.329 -6.900 1.00 0.00 H new ATOM 0 HB2 TYR A 146 4.264 -2.911 -4.212 1.00 0.00 H new ATOM 0 HB3 TYR A 146 2.869 -3.882 -4.637 1.00 0.00 H new ATOM 0 HD1 TYR A 146 3.463 -6.299 -5.639 1.00 0.00 H new ATOM 0 HD2 TYR A 146 6.068 -3.970 -3.137 1.00 0.00 H new ATOM 0 HE1 TYR A 146 4.686 -8.358 -4.996 1.00 0.00 H new ATOM 0 HE2 TYR A 146 7.287 -6.032 -2.489 1.00 0.00 H new ATOM 0 HH TYR A 146 6.132 -9.082 -2.874 1.00 0.00 H new ATOM 61 N ARG A 147 2.035 -2.538 -7.019 1.00 0.00 N ATOM 62 CA ARG A 147 1.118 -1.436 -7.443 1.00 0.00 C ATOM 63 C ARG A 147 0.600 -0.679 -6.216 1.00 0.00 C ATOM 64 O ARG A 147 -0.523 -0.218 -6.182 1.00 0.00 O ATOM 65 CB ARG A 147 -0.065 -2.023 -8.216 1.00 0.00 C ATOM 66 CG ARG A 147 0.345 -2.278 -9.668 1.00 0.00 C ATOM 67 CD ARG A 147 0.010 -3.723 -10.047 1.00 0.00 C ATOM 68 NE ARG A 147 -1.399 -3.797 -10.528 1.00 0.00 N ATOM 69 CZ ARG A 147 -2.292 -4.449 -9.833 1.00 0.00 C ATOM 70 NH1 ARG A 147 -1.959 -5.542 -9.204 1.00 0.00 N ATOM 71 NH2 ARG A 147 -3.519 -4.008 -9.769 1.00 0.00 N ATOM 0 H ARG A 147 1.608 -3.463 -6.973 1.00 0.00 H new ATOM 0 HA ARG A 147 1.667 -0.745 -8.082 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.390 -2.954 -7.751 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.911 -1.337 -8.182 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -0.176 -1.587 -10.331 1.00 0.00 H new ATOM 0 HG3 ARG A 147 1.412 -2.096 -9.793 1.00 0.00 H new ATOM 0 HD2 ARG A 147 0.690 -4.073 -10.824 1.00 0.00 H new ATOM 0 HD3 ARG A 147 0.146 -4.377 -9.186 1.00 0.00 H new ATOM 0 HE ARG A 147 -1.665 -3.339 -11.399 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -1.001 -5.888 -9.255 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -2.657 -6.051 -8.661 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -3.780 -3.154 -10.262 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -4.216 -4.517 -9.226 1.00 0.00 H new ATOM 85 N GLY A 148 1.420 -0.545 -5.217 1.00 0.00 N ATOM 86 CA GLY A 148 1.010 0.184 -3.987 1.00 0.00 C ATOM 87 C GLY A 148 2.235 0.353 -3.089 1.00 0.00 C ATOM 88 O GLY A 148 2.126 0.462 -1.885 1.00 0.00 O ATOM 0 H GLY A 148 2.371 -0.914 -5.199 1.00 0.00 H new ATOM 0 HA2 GLY A 148 0.593 1.157 -4.245 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.230 -0.368 -3.463 1.00 0.00 H new ATOM 92 N VAL A 149 3.407 0.366 -3.672 1.00 0.00 N ATOM 93 CA VAL A 149 4.644 0.516 -2.860 1.00 0.00 C ATOM 94 C VAL A 149 5.712 1.219 -3.697 1.00 0.00 C ATOM 95 O VAL A 149 6.145 0.716 -4.714 1.00 0.00 O ATOM 96 CB VAL A 149 5.149 -0.870 -2.466 1.00 0.00 C ATOM 97 CG1 VAL A 149 6.471 -0.739 -1.714 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.121 -1.551 -1.566 1.00 0.00 C ATOM 0 H VAL A 149 3.557 0.279 -4.677 1.00 0.00 H new ATOM 0 HA VAL A 149 4.432 1.103 -1.966 1.00 0.00 H new ATOM 0 HB VAL A 149 5.300 -1.467 -3.365 1.00 0.00 H new ATOM 0 HG11 VAL A 149 6.830 -1.729 -1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.208 -0.254 -2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.321 -0.140 -0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 149 4.482 -2.540 -1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 149 3.970 -0.952 -0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.176 -1.648 -2.101 1.00 0.00 H new ATOM 108 N ARG A 150 6.146 2.375 -3.280 1.00 0.00 N ATOM 109 CA ARG A 150 7.191 3.094 -4.059 1.00 0.00 C ATOM 110 C ARG A 150 8.553 2.851 -3.411 1.00 0.00 C ATOM 111 O ARG A 150 8.693 2.884 -2.204 1.00 0.00 O ATOM 112 CB ARG A 150 6.886 4.592 -4.074 1.00 0.00 C ATOM 113 CG ARG A 150 6.836 5.117 -2.641 1.00 0.00 C ATOM 114 CD ARG A 150 7.813 6.282 -2.492 1.00 0.00 C ATOM 115 NE ARG A 150 7.722 7.160 -3.691 1.00 0.00 N ATOM 116 CZ ARG A 150 6.727 7.996 -3.812 1.00 0.00 C ATOM 117 NH1 ARG A 150 5.602 7.598 -4.339 1.00 0.00 N ATOM 118 NH2 ARG A 150 6.857 9.229 -3.406 1.00 0.00 N ATOM 0 H ARG A 150 5.824 2.851 -2.437 1.00 0.00 H new ATOM 0 HA ARG A 150 7.202 2.725 -5.084 1.00 0.00 H new ATOM 0 HB2 ARG A 150 7.650 5.124 -4.641 1.00 0.00 H new ATOM 0 HB3 ARG A 150 5.934 4.775 -4.573 1.00 0.00 H new ATOM 0 HG2 ARG A 150 5.825 5.443 -2.397 1.00 0.00 H new ATOM 0 HG3 ARG A 150 7.092 4.321 -1.942 1.00 0.00 H new ATOM 0 HD2 ARG A 150 7.582 6.852 -1.592 1.00 0.00 H new ATOM 0 HD3 ARG A 150 8.830 5.906 -2.379 1.00 0.00 H new ATOM 0 HE ARG A 150 8.436 7.108 -4.417 1.00 0.00 H new ATOM 0 HH11 ARG A 150 5.500 6.634 -4.656 1.00 0.00 H new ATOM 0 HH12 ARG A 150 4.824 8.251 -4.434 1.00 0.00 H new ATOM 0 HH21 ARG A 150 7.737 9.540 -2.994 1.00 0.00 H new ATOM 0 HH22 ARG A 150 6.079 9.882 -3.501 1.00 0.00 H new ATOM 132 N GLN A 151 9.558 2.599 -4.202 1.00 0.00 N ATOM 133 CA GLN A 151 10.906 2.346 -3.628 1.00 0.00 C ATOM 134 C GLN A 151 11.783 3.587 -3.800 1.00 0.00 C ATOM 135 O GLN A 151 11.562 4.402 -4.673 1.00 0.00 O ATOM 136 CB GLN A 151 11.546 1.155 -4.346 1.00 0.00 C ATOM 137 CG GLN A 151 11.993 1.576 -5.747 1.00 0.00 C ATOM 138 CD GLN A 151 12.073 0.341 -6.648 1.00 0.00 C ATOM 139 OE1 GLN A 151 11.117 -0.398 -6.769 1.00 0.00 O ATOM 140 NE2 GLN A 151 13.180 0.088 -7.289 1.00 0.00 N ATOM 0 H GLN A 151 9.503 2.558 -5.220 1.00 0.00 H new ATOM 0 HA GLN A 151 10.813 2.122 -2.565 1.00 0.00 H new ATOM 0 HB2 GLN A 151 12.400 0.791 -3.776 1.00 0.00 H new ATOM 0 HB3 GLN A 151 10.833 0.333 -4.413 1.00 0.00 H new ATOM 0 HG2 GLN A 151 11.291 2.298 -6.163 1.00 0.00 H new ATOM 0 HG3 GLN A 151 12.965 2.068 -5.698 1.00 0.00 H new ATOM 0 HE21 GLN A 151 13.982 0.710 -7.186 1.00 0.00 H new ATOM 0 HE22 GLN A 151 13.244 -0.731 -7.893 1.00 0.00 H new ATOM 149 N ARG A 152 12.775 3.736 -2.967 1.00 0.00 N ATOM 150 CA ARG A 152 13.668 4.922 -3.069 1.00 0.00 C ATOM 151 C ARG A 152 15.124 4.456 -3.152 1.00 0.00 C ATOM 152 O ARG A 152 15.437 3.341 -2.785 1.00 0.00 O ATOM 153 CB ARG A 152 13.492 5.798 -1.827 1.00 0.00 C ATOM 154 CG ARG A 152 12.414 6.851 -2.086 1.00 0.00 C ATOM 155 CD ARG A 152 12.116 7.600 -0.785 1.00 0.00 C ATOM 156 NE ARG A 152 10.669 7.470 -0.458 1.00 0.00 N ATOM 157 CZ ARG A 152 9.928 8.537 -0.340 1.00 0.00 C ATOM 158 NH1 ARG A 152 10.047 9.299 0.712 1.00 0.00 N ATOM 159 NH2 ARG A 152 9.072 8.843 -1.275 1.00 0.00 N ATOM 0 H ARG A 152 13.006 3.084 -2.217 1.00 0.00 H new ATOM 0 HA ARG A 152 13.413 5.493 -3.962 1.00 0.00 H new ATOM 0 HB2 ARG A 152 13.214 5.182 -0.972 1.00 0.00 H new ATOM 0 HB3 ARG A 152 14.435 6.284 -1.576 1.00 0.00 H new ATOM 0 HG2 ARG A 152 12.749 7.550 -2.853 1.00 0.00 H new ATOM 0 HG3 ARG A 152 11.508 6.376 -2.461 1.00 0.00 H new ATOM 0 HD2 ARG A 152 12.721 7.196 0.027 1.00 0.00 H new ATOM 0 HD3 ARG A 152 12.383 8.652 -0.889 1.00 0.00 H new ATOM 0 HE ARG A 152 10.257 6.546 -0.326 1.00 0.00 H new ATOM 0 HH11 ARG A 152 10.719 9.060 1.441 1.00 0.00 H new ATOM 0 HH12 ARG A 152 9.468 10.134 0.805 1.00 0.00 H new ATOM 0 HH21 ARG A 152 8.982 8.248 -2.099 1.00 0.00 H new ATOM 0 HH22 ARG A 152 8.493 9.677 -1.183 1.00 0.00 H new ATOM 173 N PRO A 153 15.973 5.332 -3.625 1.00 0.00 N ATOM 174 CA PRO A 153 17.410 5.047 -3.761 1.00 0.00 C ATOM 175 C PRO A 153 18.097 5.157 -2.395 1.00 0.00 C ATOM 176 O PRO A 153 19.251 4.811 -2.237 1.00 0.00 O ATOM 177 CB PRO A 153 17.905 6.137 -4.716 1.00 0.00 C ATOM 178 CG PRO A 153 16.880 7.292 -4.627 1.00 0.00 C ATOM 179 CD PRO A 153 15.579 6.685 -4.069 1.00 0.00 C ATOM 0 HA PRO A 153 17.621 4.043 -4.131 1.00 0.00 H new ATOM 0 HB2 PRO A 153 18.901 6.478 -4.433 1.00 0.00 H new ATOM 0 HB3 PRO A 153 17.976 5.758 -5.735 1.00 0.00 H new ATOM 0 HG2 PRO A 153 17.247 8.086 -3.977 1.00 0.00 H new ATOM 0 HG3 PRO A 153 16.711 7.736 -5.608 1.00 0.00 H new ATOM 0 HD2 PRO A 153 15.186 7.277 -3.242 1.00 0.00 H new ATOM 0 HD3 PRO A 153 14.800 6.643 -4.830 1.00 0.00 H new ATOM 187 N TRP A 154 17.389 5.631 -1.406 1.00 0.00 N ATOM 188 CA TRP A 154 17.987 5.763 -0.048 1.00 0.00 C ATOM 189 C TRP A 154 17.847 4.435 0.701 1.00 0.00 C ATOM 190 O TRP A 154 18.284 4.298 1.827 1.00 0.00 O ATOM 191 CB TRP A 154 17.249 6.857 0.725 1.00 0.00 C ATOM 192 CG TRP A 154 18.236 7.746 1.414 1.00 0.00 C ATOM 193 CD1 TRP A 154 18.999 7.387 2.473 1.00 0.00 C ATOM 194 CD2 TRP A 154 18.573 9.131 1.116 1.00 0.00 C ATOM 195 NE1 TRP A 154 19.782 8.465 2.843 1.00 0.00 N ATOM 196 CE2 TRP A 154 19.557 9.564 2.037 1.00 0.00 C ATOM 197 CE3 TRP A 154 18.124 10.045 0.144 1.00 0.00 C ATOM 198 CZ2 TRP A 154 20.077 10.859 1.995 1.00 0.00 C ATOM 199 CZ3 TRP A 154 18.645 11.350 0.099 1.00 0.00 C ATOM 200 CH2 TRP A 154 19.620 11.755 1.023 1.00 0.00 C ATOM 0 H TRP A 154 16.418 5.934 -1.481 1.00 0.00 H new ATOM 0 HA TRP A 154 19.042 6.023 -0.138 1.00 0.00 H new ATOM 0 HB2 TRP A 154 16.632 7.443 0.044 1.00 0.00 H new ATOM 0 HB3 TRP A 154 16.578 6.408 1.457 1.00 0.00 H new ATOM 0 HD1 TRP A 154 18.997 6.418 2.950 1.00 0.00 H new ATOM 0 HE1 TRP A 154 20.446 8.450 3.618 1.00 0.00 H new ATOM 0 HE3 TRP A 154 17.374 9.742 -0.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 20.827 11.167 2.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 18.293 12.044 -0.650 1.00 0.00 H new ATOM 0 HH2 TRP A 154 20.018 12.758 0.984 1.00 0.00 H new ATOM 211 N GLY A 155 17.237 3.455 0.090 1.00 0.00 N ATOM 212 CA GLY A 155 17.067 2.142 0.775 1.00 0.00 C ATOM 213 C GLY A 155 15.792 2.177 1.619 1.00 0.00 C ATOM 214 O GLY A 155 15.820 1.947 2.812 1.00 0.00 O ATOM 0 H GLY A 155 16.850 3.507 -0.852 1.00 0.00 H new ATOM 0 HA2 GLY A 155 17.009 1.339 0.040 1.00 0.00 H new ATOM 0 HA3 GLY A 155 17.930 1.933 1.407 1.00 0.00 H new ATOM 218 N LYS A 156 14.674 2.469 1.012 1.00 0.00 N ATOM 219 CA LYS A 156 13.400 2.525 1.786 1.00 0.00 C ATOM 220 C LYS A 156 12.210 2.368 0.837 1.00 0.00 C ATOM 221 O LYS A 156 12.355 2.390 -0.369 1.00 0.00 O ATOM 222 CB LYS A 156 13.300 3.876 2.498 1.00 0.00 C ATOM 223 CG LYS A 156 13.392 3.668 4.010 1.00 0.00 C ATOM 224 CD LYS A 156 14.439 4.619 4.592 1.00 0.00 C ATOM 225 CE LYS A 156 14.290 4.677 6.112 1.00 0.00 C ATOM 226 NZ LYS A 156 15.360 5.541 6.683 1.00 0.00 N ATOM 0 H LYS A 156 14.587 2.671 0.016 1.00 0.00 H new ATOM 0 HA LYS A 156 13.388 1.718 2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 156 14.100 4.535 2.162 1.00 0.00 H new ATOM 0 HB3 LYS A 156 12.358 4.363 2.245 1.00 0.00 H new ATOM 0 HG2 LYS A 156 12.422 3.850 4.473 1.00 0.00 H new ATOM 0 HG3 LYS A 156 13.661 2.635 4.230 1.00 0.00 H new ATOM 0 HD2 LYS A 156 15.440 4.280 4.327 1.00 0.00 H new ATOM 0 HD3 LYS A 156 14.317 5.615 4.166 1.00 0.00 H new ATOM 0 HE2 LYS A 156 13.309 5.071 6.377 1.00 0.00 H new ATOM 0 HE3 LYS A 156 14.355 3.674 6.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 15.259 5.581 7.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 16.291 5.146 6.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 15.278 6.500 6.290 1.00 0.00 H new ATOM 240 N PHE A 157 11.030 2.220 1.377 1.00 0.00 N ATOM 241 CA PHE A 157 9.822 2.070 0.516 1.00 0.00 C ATOM 242 C PHE A 157 8.654 2.818 1.163 1.00 0.00 C ATOM 243 O PHE A 157 8.804 3.443 2.194 1.00 0.00 O ATOM 244 CB PHE A 157 9.464 0.589 0.380 1.00 0.00 C ATOM 245 CG PHE A 157 10.458 -0.094 -0.525 1.00 0.00 C ATOM 246 CD1 PHE A 157 11.759 -0.343 -0.071 1.00 0.00 C ATOM 247 CD2 PHE A 157 10.080 -0.485 -1.817 1.00 0.00 C ATOM 248 CE1 PHE A 157 12.682 -0.982 -0.907 1.00 0.00 C ATOM 249 CE2 PHE A 157 11.004 -1.125 -2.653 1.00 0.00 C ATOM 250 CZ PHE A 157 12.304 -1.374 -2.199 1.00 0.00 C ATOM 0 H PHE A 157 10.851 2.197 2.381 1.00 0.00 H new ATOM 0 HA PHE A 157 10.025 2.481 -0.473 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.464 0.113 1.361 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.457 0.484 -0.025 1.00 0.00 H new ATOM 0 HD1 PHE A 157 12.050 -0.042 0.924 1.00 0.00 H new ATOM 0 HD2 PHE A 157 9.077 -0.293 -2.168 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.686 -1.173 -0.557 1.00 0.00 H new ATOM 0 HE2 PHE A 157 10.713 -1.426 -3.648 1.00 0.00 H new ATOM 0 HZ PHE A 157 13.016 -1.868 -2.844 1.00 0.00 H new ATOM 260 N ALA A 158 7.494 2.760 0.572 1.00 0.00 N ATOM 261 CA ALA A 158 6.326 3.470 1.165 1.00 0.00 C ATOM 262 C ALA A 158 5.033 2.761 0.766 1.00 0.00 C ATOM 263 O ALA A 158 4.682 2.692 -0.394 1.00 0.00 O ATOM 264 CB ALA A 158 6.285 4.911 0.655 1.00 0.00 C ATOM 0 H ALA A 158 7.304 2.254 -0.293 1.00 0.00 H new ATOM 0 HA ALA A 158 6.424 3.468 2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.429 5.427 1.091 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.203 5.425 0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.193 4.910 -0.431 1.00 0.00 H new ATOM 270 N ALA A 159 4.315 2.242 1.721 1.00 0.00 N ATOM 271 CA ALA A 159 3.040 1.552 1.398 1.00 0.00 C ATOM 272 C ALA A 159 1.903 2.573 1.414 1.00 0.00 C ATOM 273 O ALA A 159 1.624 3.188 2.425 1.00 0.00 O ATOM 274 CB ALA A 159 2.768 0.463 2.437 1.00 0.00 C ATOM 0 H ALA A 159 4.557 2.267 2.711 1.00 0.00 H new ATOM 0 HA ALA A 159 3.109 1.094 0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 159 1.832 -0.042 2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.583 -0.260 2.428 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.695 0.914 3.426 1.00 0.00 H new ATOM 280 N GLU A 160 1.251 2.759 0.298 1.00 0.00 N ATOM 281 CA GLU A 160 0.129 3.739 0.236 1.00 0.00 C ATOM 282 C GLU A 160 -1.016 3.126 -0.572 1.00 0.00 C ATOM 283 O GLU A 160 -0.907 2.029 -1.079 1.00 0.00 O ATOM 284 CB GLU A 160 0.606 5.025 -0.446 1.00 0.00 C ATOM 285 CG GLU A 160 2.085 5.259 -0.128 1.00 0.00 C ATOM 286 CD GLU A 160 2.618 6.406 -0.988 1.00 0.00 C ATOM 287 OE1 GLU A 160 1.808 7.143 -1.526 1.00 0.00 O ATOM 288 OE2 GLU A 160 3.827 6.530 -1.092 1.00 0.00 O ATOM 0 H GLU A 160 1.448 2.272 -0.577 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.212 3.975 1.244 1.00 0.00 H new ATOM 0 HB2 GLU A 160 0.463 4.951 -1.524 1.00 0.00 H new ATOM 0 HB3 GLU A 160 0.012 5.872 -0.103 1.00 0.00 H new ATOM 0 HG2 GLU A 160 2.207 5.496 0.929 1.00 0.00 H new ATOM 0 HG3 GLU A 160 2.657 4.351 -0.319 1.00 0.00 H new ATOM 295 N ILE A 161 -2.116 3.817 -0.699 1.00 0.00 N ATOM 296 CA ILE A 161 -3.252 3.246 -1.476 1.00 0.00 C ATOM 297 C ILE A 161 -4.260 4.347 -1.812 1.00 0.00 C ATOM 298 O ILE A 161 -4.521 5.229 -1.017 1.00 0.00 O ATOM 299 CB ILE A 161 -3.933 2.157 -0.641 1.00 0.00 C ATOM 300 CG1 ILE A 161 -5.281 1.793 -1.267 1.00 0.00 C ATOM 301 CG2 ILE A 161 -4.154 2.672 0.781 1.00 0.00 C ATOM 302 CD1 ILE A 161 -6.046 0.859 -0.325 1.00 0.00 C ATOM 0 H ILE A 161 -2.277 4.743 -0.303 1.00 0.00 H new ATOM 0 HA ILE A 161 -2.878 2.816 -2.405 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.298 1.272 -0.615 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -5.863 2.696 -1.453 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -5.127 1.308 -2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.639 1.899 1.377 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.194 2.927 1.229 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -4.788 3.558 0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -7.006 0.600 -0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.465 -0.049 -0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.212 1.360 0.629 1.00 0.00 H new ATOM 314 N ARG A 162 -4.831 4.298 -2.985 1.00 0.00 N ATOM 315 CA ARG A 162 -5.829 5.333 -3.378 1.00 0.00 C ATOM 316 C ARG A 162 -7.100 5.144 -2.544 1.00 0.00 C ATOM 317 O ARG A 162 -7.589 4.043 -2.378 1.00 0.00 O ATOM 318 CB ARG A 162 -6.152 5.182 -4.872 1.00 0.00 C ATOM 319 CG ARG A 162 -7.479 5.875 -5.201 1.00 0.00 C ATOM 320 CD ARG A 162 -7.336 7.386 -5.003 1.00 0.00 C ATOM 321 NE ARG A 162 -8.431 8.086 -5.733 1.00 0.00 N ATOM 322 CZ ARG A 162 -8.287 8.390 -6.993 1.00 0.00 C ATOM 323 NH1 ARG A 162 -7.310 9.170 -7.371 1.00 0.00 N ATOM 324 NH2 ARG A 162 -9.120 7.916 -7.879 1.00 0.00 N ATOM 0 H ARG A 162 -4.649 3.584 -3.690 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.426 6.330 -3.199 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -5.350 5.614 -5.470 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -6.211 4.125 -5.134 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -7.768 5.659 -6.230 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -8.271 5.488 -4.560 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -7.377 7.630 -3.942 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -6.366 7.722 -5.370 1.00 0.00 H new ATOM 0 HE ARG A 162 -9.294 8.328 -5.246 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -6.658 9.542 -6.680 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -7.199 9.407 -8.357 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -9.884 7.307 -7.586 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -9.007 8.154 -8.864 1.00 0.00 H new ATOM 338 N ASP A 163 -7.638 6.209 -2.013 1.00 0.00 N ATOM 339 CA ASP A 163 -8.873 6.086 -1.188 1.00 0.00 C ATOM 340 C ASP A 163 -10.041 6.771 -1.905 1.00 0.00 C ATOM 341 O ASP A 163 -10.192 7.975 -1.825 1.00 0.00 O ATOM 342 CB ASP A 163 -8.649 6.755 0.170 1.00 0.00 C ATOM 343 CG ASP A 163 -9.590 6.134 1.205 1.00 0.00 C ATOM 344 OD1 ASP A 163 -10.676 5.727 0.821 1.00 0.00 O ATOM 345 OD2 ASP A 163 -9.209 6.075 2.362 1.00 0.00 O ATOM 0 H ASP A 163 -7.276 7.157 -2.115 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.105 5.031 -1.042 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.613 6.629 0.483 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.831 7.827 0.094 1.00 0.00 H new ATOM 350 N PRO A 164 -10.835 5.981 -2.584 1.00 0.00 N ATOM 351 CA PRO A 164 -12.004 6.481 -3.326 1.00 0.00 C ATOM 352 C PRO A 164 -13.163 6.760 -2.365 1.00 0.00 C ATOM 353 O PRO A 164 -14.061 7.521 -2.663 1.00 0.00 O ATOM 354 CB PRO A 164 -12.347 5.329 -4.274 1.00 0.00 C ATOM 355 CG PRO A 164 -11.739 4.052 -3.647 1.00 0.00 C ATOM 356 CD PRO A 164 -10.642 4.519 -2.674 1.00 0.00 C ATOM 0 HA PRO A 164 -11.812 7.416 -3.852 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -13.426 5.229 -4.389 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -11.935 5.508 -5.267 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -12.502 3.477 -3.123 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -11.323 3.403 -4.417 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -10.746 4.043 -1.699 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -9.648 4.271 -3.046 1.00 0.00 H new ATOM 364 N ALA A 165 -13.150 6.144 -1.214 1.00 0.00 N ATOM 365 CA ALA A 165 -14.246 6.369 -0.235 1.00 0.00 C ATOM 366 C ALA A 165 -14.146 7.789 0.325 1.00 0.00 C ATOM 367 O ALA A 165 -15.136 8.399 0.681 1.00 0.00 O ATOM 368 CB ALA A 165 -14.125 5.360 0.909 1.00 0.00 C ATOM 0 H ALA A 165 -12.425 5.494 -0.911 1.00 0.00 H new ATOM 0 HA ALA A 165 -15.208 6.241 -0.732 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -14.929 5.525 1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -14.197 4.348 0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -13.163 5.487 1.406 1.00 0.00 H new ATOM 374 N LYS A 166 -12.957 8.320 0.405 1.00 0.00 N ATOM 375 CA LYS A 166 -12.790 9.699 0.942 1.00 0.00 C ATOM 376 C LYS A 166 -12.509 10.666 -0.212 1.00 0.00 C ATOM 377 O LYS A 166 -11.798 11.639 -0.059 1.00 0.00 O ATOM 378 CB LYS A 166 -11.615 9.721 1.923 1.00 0.00 C ATOM 379 CG LYS A 166 -11.766 8.581 2.930 1.00 0.00 C ATOM 380 CD LYS A 166 -12.272 9.136 4.264 1.00 0.00 C ATOM 381 CE LYS A 166 -11.355 8.662 5.393 1.00 0.00 C ATOM 382 NZ LYS A 166 -9.981 9.194 5.172 1.00 0.00 N ATOM 0 H LYS A 166 -12.093 7.858 0.121 1.00 0.00 H new ATOM 0 HA LYS A 166 -13.702 10.003 1.456 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -10.674 9.619 1.382 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -11.581 10.678 2.444 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -12.463 7.835 2.548 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -10.809 8.080 3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -12.294 10.225 4.232 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -13.293 8.801 4.446 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -11.738 9.003 6.355 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -11.334 7.573 5.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -9.535 9.396 6.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -9.414 8.489 4.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -10.033 10.069 4.613 1.00 0.00 H new ATOM 396 N ASN A 167 -13.062 10.405 -1.366 1.00 0.00 N ATOM 397 CA ASN A 167 -12.828 11.308 -2.528 1.00 0.00 C ATOM 398 C ASN A 167 -11.325 11.426 -2.791 1.00 0.00 C ATOM 399 O ASN A 167 -10.762 12.502 -2.767 1.00 0.00 O ATOM 400 CB ASN A 167 -13.402 12.694 -2.222 1.00 0.00 C ATOM 401 CG ASN A 167 -13.683 13.433 -3.533 1.00 0.00 C ATOM 402 OD1 ASN A 167 -12.785 13.663 -4.318 1.00 0.00 O ATOM 403 ND2 ASN A 167 -14.900 13.817 -3.804 1.00 0.00 N ATOM 0 H ASN A 167 -13.666 9.605 -1.554 1.00 0.00 H new ATOM 0 HA ASN A 167 -13.319 10.897 -3.410 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -14.320 12.599 -1.642 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -12.699 13.264 -1.615 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -15.097 14.310 -4.675 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -15.654 13.624 -3.145 1.00 0.00 H new ATOM 410 N GLY A 168 -10.670 10.325 -3.042 1.00 0.00 N ATOM 411 CA GLY A 168 -9.203 10.374 -3.307 1.00 0.00 C ATOM 412 C GLY A 168 -8.441 10.423 -1.981 1.00 0.00 C ATOM 413 O GLY A 168 -8.645 9.606 -1.106 1.00 0.00 O ATOM 0 H GLY A 168 -11.086 9.394 -3.075 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -8.898 9.499 -3.881 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -8.961 11.250 -3.909 1.00 0.00 H new ATOM 417 N ALA A 169 -7.563 11.376 -1.826 1.00 0.00 N ATOM 418 CA ALA A 169 -6.788 11.474 -0.557 1.00 0.00 C ATOM 419 C ALA A 169 -5.848 10.272 -0.442 1.00 0.00 C ATOM 420 O ALA A 169 -6.190 9.257 0.132 1.00 0.00 O ATOM 421 CB ALA A 169 -7.754 11.485 0.629 1.00 0.00 C ATOM 0 H ALA A 169 -7.349 12.090 -2.522 1.00 0.00 H new ATOM 0 HA ALA A 169 -6.203 12.394 -0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -7.189 11.557 1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -8.424 12.341 0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -8.339 10.565 0.630 1.00 0.00 H new ATOM 427 N ARG A 170 -4.666 10.376 -0.985 1.00 0.00 N ATOM 428 CA ARG A 170 -3.707 9.237 -0.909 1.00 0.00 C ATOM 429 C ARG A 170 -3.534 8.806 0.550 1.00 0.00 C ATOM 430 O ARG A 170 -3.370 9.623 1.435 1.00 0.00 O ATOM 431 CB ARG A 170 -2.352 9.671 -1.476 1.00 0.00 C ATOM 432 CG ARG A 170 -2.448 9.787 -2.999 1.00 0.00 C ATOM 433 CD ARG A 170 -1.058 10.066 -3.576 1.00 0.00 C ATOM 434 NE ARG A 170 -1.193 10.827 -4.850 1.00 0.00 N ATOM 435 CZ ARG A 170 -0.251 11.650 -5.220 1.00 0.00 C ATOM 436 NH1 ARG A 170 0.797 11.199 -5.853 1.00 0.00 N ATOM 437 NH2 ARG A 170 -0.355 12.924 -4.956 1.00 0.00 N ATOM 0 H ARG A 170 -4.323 11.200 -1.478 1.00 0.00 H new ATOM 0 HA ARG A 170 -4.094 8.400 -1.490 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -2.056 10.628 -1.046 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -1.584 8.948 -1.204 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -2.851 8.866 -3.420 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -3.135 10.589 -3.271 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -0.463 10.635 -2.861 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -0.531 9.128 -3.754 1.00 0.00 H new ATOM 0 HE ARG A 170 -2.021 10.704 -5.432 1.00 0.00 H new ATOM 0 HH11 ARG A 170 0.879 10.203 -6.058 1.00 0.00 H new ATOM 0 HH12 ARG A 170 1.534 11.842 -6.143 1.00 0.00 H new ATOM 0 HH21 ARG A 170 -1.173 13.277 -4.460 1.00 0.00 H new ATOM 0 HH22 ARG A 170 0.382 13.567 -5.246 1.00 0.00 H new ATOM 451 N VAL A 171 -3.564 7.527 0.805 1.00 0.00 N ATOM 452 CA VAL A 171 -3.396 7.040 2.204 1.00 0.00 C ATOM 453 C VAL A 171 -1.967 6.522 2.382 1.00 0.00 C ATOM 454 O VAL A 171 -1.613 5.467 1.895 1.00 0.00 O ATOM 455 CB VAL A 171 -4.395 5.909 2.468 1.00 0.00 C ATOM 456 CG1 VAL A 171 -4.123 5.290 3.841 1.00 0.00 C ATOM 457 CG2 VAL A 171 -5.818 6.473 2.439 1.00 0.00 C ATOM 0 H VAL A 171 -3.698 6.797 0.105 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.579 7.852 2.908 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.286 5.144 1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.836 4.486 4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -3.110 4.889 3.865 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -4.230 6.053 4.612 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.531 5.670 2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -5.922 7.238 3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -6.015 6.913 1.461 1.00 0.00 H new ATOM 467 N TRP A 172 -1.137 7.264 3.068 1.00 0.00 N ATOM 468 CA TRP A 172 0.272 6.817 3.263 1.00 0.00 C ATOM 469 C TRP A 172 0.372 5.924 4.502 1.00 0.00 C ATOM 470 O TRP A 172 0.537 6.396 5.609 1.00 0.00 O ATOM 471 CB TRP A 172 1.174 8.041 3.445 1.00 0.00 C ATOM 472 CG TRP A 172 2.602 7.601 3.541 1.00 0.00 C ATOM 473 CD1 TRP A 172 3.139 6.921 4.582 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.682 7.798 2.583 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.477 6.690 4.322 1.00 0.00 N ATOM 476 CE2 TRP A 172 4.858 7.210 3.104 1.00 0.00 C ATOM 477 CE3 TRP A 172 3.755 8.424 1.324 1.00 0.00 C ATOM 478 CZ2 TRP A 172 6.064 7.240 2.405 1.00 0.00 C ATOM 479 CZ3 TRP A 172 4.968 8.456 0.614 1.00 0.00 C ATOM 480 CH2 TRP A 172 6.121 7.865 1.155 1.00 0.00 C ATOM 0 H TRP A 172 -1.374 8.157 3.500 1.00 0.00 H new ATOM 0 HA TRP A 172 0.591 6.251 2.388 1.00 0.00 H new ATOM 0 HB2 TRP A 172 1.049 8.726 2.606 1.00 0.00 H new ATOM 0 HB3 TRP A 172 0.889 8.585 4.345 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.609 6.610 5.470 1.00 0.00 H new ATOM 0 HE1 TRP A 172 5.106 6.195 4.955 1.00 0.00 H new ATOM 0 HE3 TRP A 172 2.873 8.883 0.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 6.948 6.784 2.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 5.013 8.937 -0.352 1.00 0.00 H new ATOM 0 HH2 TRP A 172 7.051 7.893 0.607 1.00 0.00 H new ATOM 491 N LEU A 173 0.284 4.634 4.323 1.00 0.00 N ATOM 492 CA LEU A 173 0.388 3.715 5.489 1.00 0.00 C ATOM 493 C LEU A 173 1.676 4.024 6.253 1.00 0.00 C ATOM 494 O LEU A 173 1.676 4.175 7.458 1.00 0.00 O ATOM 495 CB LEU A 173 0.427 2.265 4.998 1.00 0.00 C ATOM 496 CG LEU A 173 -0.956 1.863 4.486 1.00 0.00 C ATOM 497 CD1 LEU A 173 -0.805 1.010 3.223 1.00 0.00 C ATOM 498 CD2 LEU A 173 -1.677 1.053 5.565 1.00 0.00 C ATOM 0 H LEU A 173 0.145 4.179 3.421 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.474 3.852 6.142 1.00 0.00 H new ATOM 0 HB2 LEU A 173 1.166 2.159 4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 173 0.733 1.603 5.808 1.00 0.00 H new ATOM 0 HG LEU A 173 -1.534 2.757 4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -1.791 0.723 2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -0.287 1.585 2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -0.230 0.114 3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -2.664 0.764 5.204 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -1.099 0.158 5.796 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -1.783 1.659 6.465 1.00 0.00 H new ATOM 510 N GLY A 174 2.775 4.122 5.556 1.00 0.00 N ATOM 511 CA GLY A 174 4.066 4.424 6.239 1.00 0.00 C ATOM 512 C GLY A 174 5.225 3.863 5.416 1.00 0.00 C ATOM 513 O GLY A 174 5.039 3.015 4.567 1.00 0.00 O ATOM 0 H GLY A 174 2.835 4.006 4.544 1.00 0.00 H new ATOM 0 HA2 GLY A 174 4.181 5.501 6.361 1.00 0.00 H new ATOM 0 HA3 GLY A 174 4.071 3.988 7.238 1.00 0.00 H new ATOM 517 N THR A 175 6.420 4.326 5.660 1.00 0.00 N ATOM 518 CA THR A 175 7.587 3.811 4.887 1.00 0.00 C ATOM 519 C THR A 175 7.935 2.405 5.377 1.00 0.00 C ATOM 520 O THR A 175 7.551 2.002 6.458 1.00 0.00 O ATOM 521 CB THR A 175 8.790 4.738 5.091 1.00 0.00 C ATOM 522 OG1 THR A 175 9.533 4.305 6.222 1.00 0.00 O ATOM 523 CG2 THR A 175 8.305 6.170 5.312 1.00 0.00 C ATOM 0 H THR A 175 6.639 5.036 6.359 1.00 0.00 H new ATOM 0 HA THR A 175 7.336 3.777 3.827 1.00 0.00 H new ATOM 0 HB THR A 175 9.425 4.708 4.206 1.00 0.00 H new ATOM 0 HG1 THR A 175 10.304 4.896 6.353 1.00 0.00 H new ATOM 0 HG21 THR A 175 9.163 6.826 5.457 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.738 6.500 4.442 1.00 0.00 H new ATOM 0 HG23 THR A 175 7.668 6.206 6.195 1.00 0.00 H new ATOM 531 N PHE A 176 8.655 1.651 4.592 1.00 0.00 N ATOM 532 CA PHE A 176 9.019 0.271 5.018 1.00 0.00 C ATOM 533 C PHE A 176 10.501 0.019 4.731 1.00 0.00 C ATOM 534 O PHE A 176 11.215 0.897 4.290 1.00 0.00 O ATOM 535 CB PHE A 176 8.166 -0.737 4.248 1.00 0.00 C ATOM 536 CG PHE A 176 6.784 -0.781 4.855 1.00 0.00 C ATOM 537 CD1 PHE A 176 5.824 0.166 4.477 1.00 0.00 C ATOM 538 CD2 PHE A 176 6.463 -1.764 5.801 1.00 0.00 C ATOM 539 CE1 PHE A 176 4.543 0.132 5.043 1.00 0.00 C ATOM 540 CE2 PHE A 176 5.183 -1.797 6.369 1.00 0.00 C ATOM 541 CZ PHE A 176 4.223 -0.850 5.991 1.00 0.00 C ATOM 0 H PHE A 176 9.006 1.931 3.676 1.00 0.00 H new ATOM 0 HA PHE A 176 8.838 0.159 6.087 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.106 -0.454 3.197 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.625 -1.725 4.286 1.00 0.00 H new ATOM 0 HD1 PHE A 176 6.072 0.924 3.748 1.00 0.00 H new ATOM 0 HD2 PHE A 176 7.202 -2.496 6.092 1.00 0.00 H new ATOM 0 HE1 PHE A 176 3.803 0.862 4.749 1.00 0.00 H new ATOM 0 HE2 PHE A 176 4.936 -2.554 7.099 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.236 -0.876 6.430 1.00 0.00 H new ATOM 551 N GLU A 177 10.972 -1.173 4.981 1.00 0.00 N ATOM 552 CA GLU A 177 12.410 -1.477 4.725 1.00 0.00 C ATOM 553 C GLU A 177 12.578 -2.006 3.298 1.00 0.00 C ATOM 554 O GLU A 177 13.617 -1.852 2.688 1.00 0.00 O ATOM 555 CB GLU A 177 12.894 -2.532 5.721 1.00 0.00 C ATOM 556 CG GLU A 177 13.241 -1.861 7.051 1.00 0.00 C ATOM 557 CD GLU A 177 14.126 -2.794 7.879 1.00 0.00 C ATOM 558 OE1 GLU A 177 13.717 -3.921 8.103 1.00 0.00 O ATOM 559 OE2 GLU A 177 15.198 -2.366 8.274 1.00 0.00 O ATOM 0 H GLU A 177 10.424 -1.949 5.351 1.00 0.00 H new ATOM 0 HA GLU A 177 12.998 -0.567 4.844 1.00 0.00 H new ATOM 0 HB2 GLU A 177 12.121 -3.285 5.873 1.00 0.00 H new ATOM 0 HB3 GLU A 177 13.768 -3.048 5.324 1.00 0.00 H new ATOM 0 HG2 GLU A 177 13.757 -0.918 6.871 1.00 0.00 H new ATOM 0 HG3 GLU A 177 12.329 -1.625 7.600 1.00 0.00 H new ATOM 566 N THR A 178 11.566 -2.630 2.762 1.00 0.00 N ATOM 567 CA THR A 178 11.673 -3.168 1.375 1.00 0.00 C ATOM 568 C THR A 178 10.310 -3.076 0.686 1.00 0.00 C ATOM 569 O THR A 178 9.314 -2.751 1.301 1.00 0.00 O ATOM 570 CB THR A 178 12.123 -4.632 1.425 1.00 0.00 C ATOM 571 OG1 THR A 178 10.984 -5.474 1.530 1.00 0.00 O ATOM 572 CG2 THR A 178 13.034 -4.849 2.635 1.00 0.00 C ATOM 0 H THR A 178 10.670 -2.791 3.223 1.00 0.00 H new ATOM 0 HA THR A 178 12.404 -2.584 0.815 1.00 0.00 H new ATOM 0 HB THR A 178 12.671 -4.874 0.514 1.00 0.00 H new ATOM 0 HG1 THR A 178 11.271 -6.410 1.561 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.353 -5.891 2.668 1.00 0.00 H new ATOM 0 HG22 THR A 178 13.909 -4.204 2.552 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.490 -4.607 3.548 1.00 0.00 H new ATOM 580 N ALA A 179 10.257 -3.359 -0.587 1.00 0.00 N ATOM 581 CA ALA A 179 8.959 -3.289 -1.312 1.00 0.00 C ATOM 582 C ALA A 179 8.066 -4.438 -0.851 1.00 0.00 C ATOM 583 O ALA A 179 6.858 -4.371 -0.937 1.00 0.00 O ATOM 584 CB ALA A 179 9.207 -3.410 -2.817 1.00 0.00 C ATOM 0 H ALA A 179 11.057 -3.636 -1.156 1.00 0.00 H new ATOM 0 HA ALA A 179 8.472 -2.337 -1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 179 8.256 -3.359 -3.348 1.00 0.00 H new ATOM 0 HB2 ALA A 179 9.851 -2.595 -3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 179 9.691 -4.363 -3.031 1.00 0.00 H new ATOM 590 N GLU A 180 8.655 -5.495 -0.361 1.00 0.00 N ATOM 591 CA GLU A 180 7.846 -6.655 0.106 1.00 0.00 C ATOM 592 C GLU A 180 7.170 -6.306 1.432 1.00 0.00 C ATOM 593 O GLU A 180 6.052 -6.704 1.693 1.00 0.00 O ATOM 594 CB GLU A 180 8.763 -7.864 0.303 1.00 0.00 C ATOM 595 CG GLU A 180 7.919 -9.135 0.416 1.00 0.00 C ATOM 596 CD GLU A 180 8.710 -10.211 1.161 1.00 0.00 C ATOM 597 OE1 GLU A 180 9.910 -10.044 1.304 1.00 0.00 O ATOM 598 OE2 GLU A 180 8.103 -11.183 1.579 1.00 0.00 O ATOM 0 H GLU A 180 9.664 -5.605 -0.264 1.00 0.00 H new ATOM 0 HA GLU A 180 7.084 -6.891 -0.637 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.455 -7.948 -0.535 1.00 0.00 H new ATOM 0 HB3 GLU A 180 9.365 -7.734 1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 180 6.990 -8.921 0.944 1.00 0.00 H new ATOM 0 HG3 GLU A 180 7.646 -9.492 -0.577 1.00 0.00 H new ATOM 605 N ASP A 181 7.837 -5.566 2.272 1.00 0.00 N ATOM 606 CA ASP A 181 7.229 -5.194 3.577 1.00 0.00 C ATOM 607 C ASP A 181 6.121 -4.166 3.339 1.00 0.00 C ATOM 608 O ASP A 181 5.028 -4.284 3.859 1.00 0.00 O ATOM 609 CB ASP A 181 8.298 -4.589 4.489 1.00 0.00 C ATOM 610 CG ASP A 181 9.664 -5.204 4.173 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.690 -6.323 3.689 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.661 -4.544 4.420 1.00 0.00 O ATOM 0 H ASP A 181 8.777 -5.203 2.111 1.00 0.00 H new ATOM 0 HA ASP A 181 6.812 -6.082 4.052 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.336 -3.508 4.352 1.00 0.00 H new ATOM 0 HB3 ASP A 181 8.042 -4.769 5.533 1.00 0.00 H new ATOM 617 N ALA A 182 6.393 -3.160 2.554 1.00 0.00 N ATOM 618 CA ALA A 182 5.356 -2.126 2.279 1.00 0.00 C ATOM 619 C ALA A 182 4.201 -2.756 1.501 1.00 0.00 C ATOM 620 O ALA A 182 3.058 -2.366 1.644 1.00 0.00 O ATOM 621 CB ALA A 182 5.970 -0.999 1.447 1.00 0.00 C ATOM 0 H ALA A 182 7.289 -3.009 2.091 1.00 0.00 H new ATOM 0 HA ALA A 182 4.985 -1.725 3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.213 -0.242 1.245 1.00 0.00 H new ATOM 0 HB2 ALA A 182 6.796 -0.548 1.998 1.00 0.00 H new ATOM 0 HB3 ALA A 182 6.340 -1.403 0.504 1.00 0.00 H new ATOM 627 N ALA A 183 4.489 -3.727 0.681 1.00 0.00 N ATOM 628 CA ALA A 183 3.406 -4.381 -0.104 1.00 0.00 C ATOM 629 C ALA A 183 2.530 -5.204 0.840 1.00 0.00 C ATOM 630 O ALA A 183 1.326 -5.259 0.694 1.00 0.00 O ATOM 631 CB ALA A 183 4.025 -5.294 -1.164 1.00 0.00 C ATOM 0 H ALA A 183 5.426 -4.096 0.520 1.00 0.00 H new ATOM 0 HA ALA A 183 2.797 -3.623 -0.596 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.233 -5.773 -1.739 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.652 -4.703 -1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.632 -6.057 -0.677 1.00 0.00 H new ATOM 637 N LEU A 184 3.126 -5.836 1.817 1.00 0.00 N ATOM 638 CA LEU A 184 2.326 -6.643 2.778 1.00 0.00 C ATOM 639 C LEU A 184 1.409 -5.709 3.563 1.00 0.00 C ATOM 640 O LEU A 184 0.226 -5.952 3.705 1.00 0.00 O ATOM 641 CB LEU A 184 3.264 -7.369 3.748 1.00 0.00 C ATOM 642 CG LEU A 184 2.445 -8.275 4.670 1.00 0.00 C ATOM 643 CD1 LEU A 184 1.886 -9.452 3.870 1.00 0.00 C ATOM 644 CD2 LEU A 184 3.344 -8.805 5.791 1.00 0.00 C ATOM 0 H LEU A 184 4.131 -5.827 1.989 1.00 0.00 H new ATOM 0 HA LEU A 184 1.732 -7.379 2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 184 3.992 -7.960 3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.826 -6.645 4.338 1.00 0.00 H new ATOM 0 HG LEU A 184 1.621 -7.705 5.099 1.00 0.00 H new ATOM 0 HD11 LEU A 184 1.303 -10.096 4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 184 1.247 -9.078 3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 184 2.709 -10.023 3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 184 2.763 -9.451 6.449 1.00 0.00 H new ATOM 0 HD22 LEU A 184 4.167 -9.374 5.359 1.00 0.00 H new ATOM 0 HD23 LEU A 184 3.743 -7.968 6.364 1.00 0.00 H new ATOM 656 N ALA A 185 1.947 -4.634 4.063 1.00 0.00 N ATOM 657 CA ALA A 185 1.112 -3.671 4.829 1.00 0.00 C ATOM 658 C ALA A 185 0.101 -3.038 3.875 1.00 0.00 C ATOM 659 O ALA A 185 -0.934 -2.546 4.279 1.00 0.00 O ATOM 660 CB ALA A 185 2.004 -2.583 5.431 1.00 0.00 C ATOM 0 H ALA A 185 2.931 -4.380 3.974 1.00 0.00 H new ATOM 0 HA ALA A 185 0.591 -4.187 5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.390 -1.878 5.992 1.00 0.00 H new ATOM 0 HB2 ALA A 185 2.734 -3.040 6.099 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.524 -2.055 4.632 1.00 0.00 H new ATOM 666 N TYR A 186 0.396 -3.061 2.604 1.00 0.00 N ATOM 667 CA TYR A 186 -0.538 -2.475 1.607 1.00 0.00 C ATOM 668 C TYR A 186 -1.787 -3.352 1.517 1.00 0.00 C ATOM 669 O TYR A 186 -2.889 -2.870 1.350 1.00 0.00 O ATOM 670 CB TYR A 186 0.148 -2.426 0.240 1.00 0.00 C ATOM 671 CG TYR A 186 -0.864 -2.049 -0.811 1.00 0.00 C ATOM 672 CD1 TYR A 186 -1.668 -3.036 -1.398 1.00 0.00 C ATOM 673 CD2 TYR A 186 -1.001 -0.713 -1.197 1.00 0.00 C ATOM 674 CE1 TYR A 186 -2.610 -2.682 -2.373 1.00 0.00 C ATOM 675 CE2 TYR A 186 -1.942 -0.357 -2.170 1.00 0.00 C ATOM 676 CZ TYR A 186 -2.748 -1.342 -2.759 1.00 0.00 C ATOM 677 OH TYR A 186 -3.675 -0.993 -3.718 1.00 0.00 O ATOM 0 H TYR A 186 1.248 -3.463 2.214 1.00 0.00 H new ATOM 0 HA TYR A 186 -0.818 -1.466 1.910 1.00 0.00 H new ATOM 0 HB2 TYR A 186 0.962 -1.701 0.254 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.588 -3.395 0.006 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -1.561 -4.068 -1.099 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.380 0.046 -0.744 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -3.229 -3.442 -2.827 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -2.047 0.676 -2.467 1.00 0.00 H new ATOM 0 HH TYR A 186 -3.642 -0.025 -3.868 1.00 0.00 H new ATOM 687 N ASP A 187 -1.619 -4.641 1.631 1.00 0.00 N ATOM 688 CA ASP A 187 -2.784 -5.560 1.560 1.00 0.00 C ATOM 689 C ASP A 187 -3.722 -5.278 2.730 1.00 0.00 C ATOM 690 O ASP A 187 -4.901 -5.042 2.558 1.00 0.00 O ATOM 691 CB ASP A 187 -2.282 -6.999 1.654 1.00 0.00 C ATOM 692 CG ASP A 187 -1.062 -7.179 0.749 1.00 0.00 C ATOM 693 OD1 ASP A 187 -1.055 -6.599 -0.325 1.00 0.00 O ATOM 694 OD2 ASP A 187 -0.154 -7.891 1.145 1.00 0.00 O ATOM 0 H ASP A 187 -0.718 -5.097 1.771 1.00 0.00 H new ATOM 0 HA ASP A 187 -3.318 -5.411 0.621 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -2.020 -7.237 2.685 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -3.071 -7.690 1.358 1.00 0.00 H new ATOM 699 N ARG A 188 -3.202 -5.312 3.921 1.00 0.00 N ATOM 700 CA ARG A 188 -4.048 -5.058 5.123 1.00 0.00 C ATOM 701 C ARG A 188 -4.751 -3.703 5.000 1.00 0.00 C ATOM 702 O ARG A 188 -5.826 -3.505 5.531 1.00 0.00 O ATOM 703 CB ARG A 188 -3.164 -5.057 6.372 1.00 0.00 C ATOM 704 CG ARG A 188 -2.561 -6.447 6.573 1.00 0.00 C ATOM 705 CD ARG A 188 -3.263 -7.143 7.740 1.00 0.00 C ATOM 706 NE ARG A 188 -3.487 -8.577 7.402 1.00 0.00 N ATOM 707 CZ ARG A 188 -4.632 -9.141 7.674 1.00 0.00 C ATOM 708 NH1 ARG A 188 -5.745 -8.566 7.306 1.00 0.00 N ATOM 709 NH2 ARG A 188 -4.665 -10.277 8.315 1.00 0.00 N ATOM 0 H ARG A 188 -2.220 -5.506 4.118 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.801 -5.843 5.200 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -2.371 -4.317 6.268 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -3.751 -4.774 7.246 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -2.671 -7.038 5.664 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -1.493 -6.366 6.773 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -2.658 -7.062 8.643 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -4.215 -6.655 7.949 1.00 0.00 H new ATOM 0 HE ARG A 188 -2.745 -9.118 6.958 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -5.719 -7.677 6.807 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -6.641 -9.006 7.518 1.00 0.00 H new ATOM 0 HH21 ARG A 188 -3.795 -10.725 8.604 1.00 0.00 H new ATOM 0 HH22 ARG A 188 -5.560 -10.717 8.527 1.00 0.00 H new ATOM 723 N ALA A 189 -4.156 -2.764 4.320 1.00 0.00 N ATOM 724 CA ALA A 189 -4.800 -1.425 4.186 1.00 0.00 C ATOM 725 C ALA A 189 -5.787 -1.432 3.017 1.00 0.00 C ATOM 726 O ALA A 189 -6.721 -0.654 2.980 1.00 0.00 O ATOM 727 CB ALA A 189 -3.726 -0.366 3.938 1.00 0.00 C ATOM 0 H ALA A 189 -3.255 -2.863 3.852 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.338 -1.195 5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.196 0.613 3.840 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -3.029 -0.352 4.776 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.186 -0.603 3.021 1.00 0.00 H new ATOM 733 N ALA A 190 -5.594 -2.299 2.062 1.00 0.00 N ATOM 734 CA ALA A 190 -6.529 -2.343 0.902 1.00 0.00 C ATOM 735 C ALA A 190 -7.698 -3.272 1.225 1.00 0.00 C ATOM 736 O ALA A 190 -8.712 -3.261 0.559 1.00 0.00 O ATOM 737 CB ALA A 190 -5.792 -2.866 -0.331 1.00 0.00 C ATOM 0 H ALA A 190 -4.832 -2.977 2.034 1.00 0.00 H new ATOM 0 HA ALA A 190 -6.904 -1.339 0.702 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -6.477 -2.898 -1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -4.957 -2.205 -0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -5.415 -3.869 -0.131 1.00 0.00 H new ATOM 743 N PHE A 191 -7.569 -4.074 2.244 1.00 0.00 N ATOM 744 CA PHE A 191 -8.681 -4.996 2.604 1.00 0.00 C ATOM 745 C PHE A 191 -9.520 -4.351 3.706 1.00 0.00 C ATOM 746 O PHE A 191 -10.690 -4.633 3.857 1.00 0.00 O ATOM 747 CB PHE A 191 -8.108 -6.324 3.103 1.00 0.00 C ATOM 748 CG PHE A 191 -8.964 -7.464 2.606 1.00 0.00 C ATOM 749 CD1 PHE A 191 -10.087 -7.868 3.340 1.00 0.00 C ATOM 750 CD2 PHE A 191 -8.632 -8.119 1.413 1.00 0.00 C ATOM 751 CE1 PHE A 191 -10.880 -8.926 2.878 1.00 0.00 C ATOM 752 CE2 PHE A 191 -9.426 -9.177 0.952 1.00 0.00 C ATOM 753 CZ PHE A 191 -10.550 -9.581 1.684 1.00 0.00 C ATOM 0 H PHE A 191 -6.744 -4.131 2.842 1.00 0.00 H new ATOM 0 HA PHE A 191 -9.303 -5.185 1.729 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -7.084 -6.445 2.751 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -8.073 -6.330 4.192 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -10.341 -7.364 4.261 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -7.765 -7.809 0.849 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -11.747 -9.237 3.442 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -9.171 -9.682 0.032 1.00 0.00 H new ATOM 0 HZ PHE A 191 -11.162 -10.397 1.328 1.00 0.00 H new ATOM 763 N ARG A 192 -8.934 -3.476 4.471 1.00 0.00 N ATOM 764 CA ARG A 192 -9.703 -2.802 5.551 1.00 0.00 C ATOM 765 C ARG A 192 -10.534 -1.687 4.924 1.00 0.00 C ATOM 766 O ARG A 192 -11.665 -1.447 5.296 1.00 0.00 O ATOM 767 CB ARG A 192 -8.733 -2.203 6.568 1.00 0.00 C ATOM 768 CG ARG A 192 -9.506 -1.747 7.806 1.00 0.00 C ATOM 769 CD ARG A 192 -9.613 -2.906 8.797 1.00 0.00 C ATOM 770 NE ARG A 192 -8.637 -2.702 9.905 1.00 0.00 N ATOM 771 CZ ARG A 192 -9.061 -2.382 11.097 1.00 0.00 C ATOM 772 NH1 ARG A 192 -9.756 -1.289 11.270 1.00 0.00 N ATOM 773 NH2 ARG A 192 -8.793 -3.153 12.113 1.00 0.00 N ATOM 0 H ARG A 192 -7.956 -3.198 4.395 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.352 -3.518 6.055 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -7.981 -2.941 6.847 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -8.202 -1.359 6.127 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -9.000 -0.902 8.272 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -10.501 -1.405 7.521 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -10.626 -2.965 9.196 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -9.414 -3.851 8.291 1.00 0.00 H new ATOM 0 HE ARG A 192 -7.638 -2.812 9.732 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -9.967 -0.687 10.474 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -10.088 -1.038 12.201 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -8.252 -4.007 11.977 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -9.124 -2.903 13.045 1.00 0.00 H new ATOM 787 N MET A 193 -9.968 -1.009 3.968 1.00 0.00 N ATOM 788 CA MET A 193 -10.698 0.096 3.291 1.00 0.00 C ATOM 789 C MET A 193 -11.665 -0.481 2.257 1.00 0.00 C ATOM 790 O MET A 193 -12.787 -0.035 2.122 1.00 0.00 O ATOM 791 CB MET A 193 -9.690 0.997 2.581 1.00 0.00 C ATOM 792 CG MET A 193 -10.293 2.391 2.403 1.00 0.00 C ATOM 793 SD MET A 193 -10.069 3.343 3.925 1.00 0.00 S ATOM 794 CE MET A 193 -8.314 3.718 3.696 1.00 0.00 C ATOM 0 H MET A 193 -9.022 -1.174 3.623 1.00 0.00 H new ATOM 0 HA MET A 193 -11.257 0.668 4.031 1.00 0.00 H new ATOM 0 HB2 MET A 193 -8.769 1.058 3.161 1.00 0.00 H new ATOM 0 HB3 MET A 193 -9.429 0.575 1.611 1.00 0.00 H new ATOM 0 HG2 MET A 193 -9.814 2.902 1.568 1.00 0.00 H new ATOM 0 HG3 MET A 193 -11.353 2.312 2.163 1.00 0.00 H new ATOM 0 HE1 MET A 193 -8.081 4.673 4.167 1.00 0.00 H new ATOM 0 HE2 MET A 193 -7.712 2.932 4.152 1.00 0.00 H new ATOM 0 HE3 MET A 193 -8.090 3.775 2.631 1.00 0.00 H new ATOM 804 N ARG A 194 -11.232 -1.464 1.520 1.00 0.00 N ATOM 805 CA ARG A 194 -12.116 -2.069 0.484 1.00 0.00 C ATOM 806 C ARG A 194 -12.765 -3.334 1.039 1.00 0.00 C ATOM 807 O ARG A 194 -13.932 -3.592 0.822 1.00 0.00 O ATOM 808 CB ARG A 194 -11.280 -2.430 -0.743 1.00 0.00 C ATOM 809 CG ARG A 194 -10.618 -1.168 -1.300 1.00 0.00 C ATOM 810 CD ARG A 194 -10.338 -1.352 -2.792 1.00 0.00 C ATOM 811 NE ARG A 194 -11.622 -1.569 -3.518 1.00 0.00 N ATOM 812 CZ ARG A 194 -11.945 -0.794 -4.517 1.00 0.00 C ATOM 813 NH1 ARG A 194 -11.014 -0.295 -5.284 1.00 0.00 N ATOM 814 NH2 ARG A 194 -13.200 -0.519 -4.751 1.00 0.00 N ATOM 0 H ARG A 194 -10.302 -1.876 1.590 1.00 0.00 H new ATOM 0 HA ARG A 194 -12.891 -1.355 0.207 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -10.520 -3.164 -0.475 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -11.911 -2.888 -1.504 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -11.267 -0.306 -1.145 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -9.689 -0.967 -0.767 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -9.829 -0.473 -3.188 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -9.673 -2.202 -2.946 1.00 0.00 H new ATOM 0 HE ARG A 194 -12.248 -2.323 -3.234 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -10.034 -0.511 -5.103 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -11.267 0.311 -6.065 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -13.928 -0.910 -4.153 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -13.452 0.087 -5.532 1.00 0.00 H new ATOM 828 N GLY A 195 -12.016 -4.123 1.751 1.00 0.00 N ATOM 829 CA GLY A 195 -12.583 -5.379 2.321 1.00 0.00 C ATOM 830 C GLY A 195 -13.447 -6.076 1.268 1.00 0.00 C ATOM 831 O GLY A 195 -13.409 -5.744 0.099 1.00 0.00 O ATOM 0 H GLY A 195 -11.033 -3.955 1.965 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -11.778 -6.041 2.642 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -13.180 -5.152 3.204 1.00 0.00 H new ATOM 835 N SER A 196 -14.228 -7.039 1.674 1.00 0.00 N ATOM 836 CA SER A 196 -15.097 -7.757 0.700 1.00 0.00 C ATOM 837 C SER A 196 -14.290 -8.116 -0.549 1.00 0.00 C ATOM 838 O SER A 196 -14.698 -7.849 -1.661 1.00 0.00 O ATOM 839 CB SER A 196 -16.270 -6.858 0.306 1.00 0.00 C ATOM 840 OG SER A 196 -16.385 -5.797 1.246 1.00 0.00 O ATOM 0 H SER A 196 -14.302 -7.360 2.639 1.00 0.00 H new ATOM 0 HA SER A 196 -15.473 -8.671 1.160 1.00 0.00 H new ATOM 0 HB2 SER A 196 -16.115 -6.457 -0.696 1.00 0.00 H new ATOM 0 HB3 SER A 196 -17.193 -7.437 0.278 1.00 0.00 H new ATOM 0 HG SER A 196 -17.135 -5.218 0.995 1.00 0.00 H new ATOM 846 N ARG A 197 -13.149 -8.724 -0.376 1.00 0.00 N ATOM 847 CA ARG A 197 -12.321 -9.102 -1.556 1.00 0.00 C ATOM 848 C ARG A 197 -11.736 -7.842 -2.199 1.00 0.00 C ATOM 849 O ARG A 197 -12.454 -6.976 -2.657 1.00 0.00 O ATOM 850 CB ARG A 197 -13.196 -9.836 -2.576 1.00 0.00 C ATOM 851 CG ARG A 197 -12.308 -10.620 -3.545 1.00 0.00 C ATOM 852 CD ARG A 197 -12.499 -12.120 -3.317 1.00 0.00 C ATOM 853 NE ARG A 197 -13.672 -12.598 -4.101 1.00 0.00 N ATOM 854 CZ ARG A 197 -13.721 -12.401 -5.390 1.00 0.00 C ATOM 855 NH1 ARG A 197 -12.790 -12.894 -6.161 1.00 0.00 N ATOM 856 NH2 ARG A 197 -14.702 -11.713 -5.908 1.00 0.00 N ATOM 0 H ARG A 197 -12.754 -8.975 0.530 1.00 0.00 H new ATOM 0 HA ARG A 197 -11.508 -9.754 -1.235 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -13.879 -10.514 -2.063 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -13.809 -9.121 -3.126 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -12.560 -10.363 -4.574 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -11.263 -10.350 -3.396 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -11.602 -12.661 -3.618 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -12.651 -12.321 -2.256 1.00 0.00 H new ATOM 0 HE ARG A 197 -14.438 -13.080 -3.630 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -12.025 -13.433 -5.756 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -12.828 -12.740 -7.169 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -15.430 -11.330 -5.305 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -14.741 -11.559 -6.916 1.00 0.00 H new ATOM 870 N ALA A 198 -10.435 -7.737 -2.239 1.00 0.00 N ATOM 871 CA ALA A 198 -9.801 -6.538 -2.855 1.00 0.00 C ATOM 872 C ALA A 198 -8.591 -6.974 -3.683 1.00 0.00 C ATOM 873 O ALA A 198 -8.212 -8.128 -3.686 1.00 0.00 O ATOM 874 CB ALA A 198 -9.347 -5.578 -1.753 1.00 0.00 C ATOM 0 H ALA A 198 -9.784 -8.431 -1.871 1.00 0.00 H new ATOM 0 HA ALA A 198 -10.522 -6.035 -3.500 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -8.883 -4.700 -2.203 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -10.209 -5.269 -1.161 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -8.625 -6.079 -1.108 1.00 0.00 H new ATOM 880 N LEU A 199 -7.983 -6.060 -4.389 1.00 0.00 N ATOM 881 CA LEU A 199 -6.799 -6.425 -5.217 1.00 0.00 C ATOM 882 C LEU A 199 -5.521 -5.958 -4.517 1.00 0.00 C ATOM 883 O LEU A 199 -5.231 -4.780 -4.456 1.00 0.00 O ATOM 884 CB LEU A 199 -6.907 -5.747 -6.585 1.00 0.00 C ATOM 885 CG LEU A 199 -7.613 -6.682 -7.566 1.00 0.00 C ATOM 886 CD1 LEU A 199 -8.648 -5.891 -8.370 1.00 0.00 C ATOM 887 CD2 LEU A 199 -6.584 -7.291 -8.522 1.00 0.00 C ATOM 0 H LEU A 199 -8.255 -5.078 -4.428 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.766 -7.507 -5.347 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.460 -4.812 -6.496 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -5.914 -5.496 -6.957 1.00 0.00 H new ATOM 0 HG LEU A 199 -8.112 -7.478 -7.013 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -9.152 -6.558 -9.070 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -9.381 -5.456 -7.691 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -8.149 -5.095 -8.922 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -7.088 -7.958 -9.222 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -6.085 -6.495 -9.075 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -5.846 -7.854 -7.951 1.00 0.00 H new ATOM 899 N LEU A 200 -4.754 -6.873 -3.989 1.00 0.00 N ATOM 900 CA LEU A 200 -3.494 -6.479 -3.296 1.00 0.00 C ATOM 901 C LEU A 200 -2.306 -7.174 -3.960 1.00 0.00 C ATOM 902 O LEU A 200 -2.449 -7.869 -4.946 1.00 0.00 O ATOM 903 CB LEU A 200 -3.547 -6.882 -1.814 1.00 0.00 C ATOM 904 CG LEU A 200 -4.677 -7.883 -1.571 1.00 0.00 C ATOM 905 CD1 LEU A 200 -4.396 -8.673 -0.291 1.00 0.00 C ATOM 906 CD2 LEU A 200 -5.998 -7.125 -1.422 1.00 0.00 C ATOM 0 H LEU A 200 -4.945 -7.875 -4.007 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.381 -5.397 -3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.595 -7.320 -1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.698 -5.997 -1.196 1.00 0.00 H new ATOM 0 HG LEU A 200 -4.742 -8.572 -2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.202 -9.386 -0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -3.453 -9.210 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -4.332 -7.987 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.807 -7.835 -1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.930 -6.438 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -6.199 -6.561 -2.333 1.00 0.00 H new ATOM 918 N ASN A 201 -1.132 -6.998 -3.418 1.00 0.00 N ATOM 919 CA ASN A 201 0.068 -7.658 -4.010 1.00 0.00 C ATOM 920 C ASN A 201 0.161 -9.078 -3.455 1.00 0.00 C ATOM 921 O ASN A 201 0.587 -9.997 -4.126 1.00 0.00 O ATOM 922 CB ASN A 201 1.344 -6.888 -3.639 1.00 0.00 C ATOM 923 CG ASN A 201 0.995 -5.481 -3.148 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.294 -5.144 -1.927 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 0.445 -4.685 -3.883 1.00 0.00 N flip ATOM 0 H ASN A 201 -0.951 -6.427 -2.592 1.00 0.00 H new ATOM 0 HA ASN A 201 -0.027 -7.673 -5.096 1.00 0.00 H new ATOM 0 HB2 ASN A 201 1.888 -7.426 -2.863 1.00 0.00 H new ATOM 0 HB3 ASN A 201 2.003 -6.825 -4.505 1.00 0.00 H new ATOM 0 HD21 ASN A 201 0.212 -4.951 -4.840 1.00 0.00 H new ATOM 0 HD22 ASN A 201 0.217 -3.751 -3.543 1.00 0.00 H new ATOM 932 N PHE A 202 -0.247 -9.261 -2.229 1.00 0.00 N ATOM 933 CA PHE A 202 -0.198 -10.615 -1.614 1.00 0.00 C ATOM 934 C PHE A 202 -1.614 -11.022 -1.192 1.00 0.00 C ATOM 935 O PHE A 202 -1.956 -10.957 -0.028 1.00 0.00 O ATOM 936 CB PHE A 202 0.714 -10.585 -0.386 1.00 0.00 C ATOM 937 CG PHE A 202 2.000 -9.876 -0.730 1.00 0.00 C ATOM 938 CD1 PHE A 202 2.546 -10.006 -2.011 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.648 -9.092 0.234 1.00 0.00 C ATOM 940 CE1 PHE A 202 3.742 -9.353 -2.331 1.00 0.00 C ATOM 941 CE2 PHE A 202 3.845 -8.439 -0.087 1.00 0.00 C ATOM 942 CZ PHE A 202 4.391 -8.569 -1.370 1.00 0.00 C ATOM 0 H PHE A 202 -0.614 -8.526 -1.625 1.00 0.00 H new ATOM 0 HA PHE A 202 0.193 -11.334 -2.334 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.215 -10.075 0.438 1.00 0.00 H new ATOM 0 HB3 PHE A 202 0.925 -11.601 -0.052 1.00 0.00 H new ATOM 0 HD1 PHE A 202 2.045 -10.610 -2.753 1.00 0.00 H new ATOM 0 HD2 PHE A 202 2.225 -8.991 1.223 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.164 -9.454 -3.320 1.00 0.00 H new ATOM 0 HE2 PHE A 202 4.347 -7.835 0.655 1.00 0.00 H new ATOM 0 HZ PHE A 202 5.313 -8.064 -1.618 1.00 0.00 H new ATOM 952 N PRO A 203 -2.398 -11.426 -2.160 1.00 0.00 N ATOM 953 CA PRO A 203 -3.791 -11.848 -1.932 1.00 0.00 C ATOM 954 C PRO A 203 -3.834 -13.262 -1.343 1.00 0.00 C ATOM 955 O PRO A 203 -2.815 -13.885 -1.125 1.00 0.00 O ATOM 956 CB PRO A 203 -4.409 -11.818 -3.333 1.00 0.00 C ATOM 957 CG PRO A 203 -3.233 -11.933 -4.331 1.00 0.00 C ATOM 958 CD PRO A 203 -1.965 -11.501 -3.570 1.00 0.00 C ATOM 0 HA PRO A 203 -4.322 -11.211 -1.224 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -5.112 -12.640 -3.465 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -4.965 -10.894 -3.493 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -3.135 -12.955 -4.698 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -3.399 -11.296 -5.200 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -1.157 -12.221 -3.701 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -1.595 -10.539 -3.925 1.00 0.00 H new