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 -60:sc= 0.544 USER MOD Single : A 151 GLN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 156 LYS NZ :NH3+ -149:sc= -0.26 (180deg=-1.71!) USER MOD Single : A 166 LYS NZ :NH3+ -162:sc= -0.0413 (180deg=-0.491) USER MOD Single : A 167 ASN : amide:sc= -0.143 K(o=-0.14,f=-1.6!) USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 180:sc= -2.24! USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 193 MET CE :methyl -167:sc= -1.68 (180deg=-2.27!) USER MOD Single : A 196 SER OG : rot 180:sc= 0 USER MOD Single : A 201 ASN :FLIP amide:sc= -2.16 F(o=-6.7!,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.778 -2.788 -6.841 1.00 0.00 N ATOM 41 CA TYR A 146 4.383 -3.137 -6.456 1.00 0.00 C ATOM 42 C TYR A 146 3.445 -1.997 -6.854 1.00 0.00 C ATOM 43 O TYR A 146 3.841 -0.846 -6.908 1.00 0.00 O ATOM 44 CB TYR A 146 4.314 -3.343 -4.942 1.00 0.00 C ATOM 45 CG TYR A 146 5.041 -4.610 -4.564 1.00 0.00 C ATOM 46 CD1 TYR A 146 4.620 -5.839 -5.087 1.00 0.00 C ATOM 47 CD2 TYR A 146 6.128 -4.558 -3.680 1.00 0.00 C ATOM 48 CE1 TYR A 146 5.286 -7.016 -4.728 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.792 -5.736 -3.321 1.00 0.00 C ATOM 50 CZ TYR A 146 6.372 -6.966 -3.844 1.00 0.00 C ATOM 51 OH TYR A 146 7.027 -8.128 -3.490 1.00 0.00 O ATOM 0 HA TYR A 146 4.082 -4.052 -6.966 1.00 0.00 H new ATOM 0 HB2 TYR A 146 4.760 -2.491 -4.429 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.274 -3.400 -4.621 1.00 0.00 H new ATOM 0 HD1 TYR A 146 3.782 -5.878 -5.767 1.00 0.00 H new ATOM 0 HD2 TYR A 146 6.452 -3.610 -3.277 1.00 0.00 H new ATOM 0 HE1 TYR A 146 4.963 -7.964 -5.133 1.00 0.00 H new ATOM 0 HE2 TYR A 146 7.629 -5.697 -2.640 1.00 0.00 H new ATOM 0 HH TYR A 146 6.396 -8.741 -3.059 1.00 0.00 H new ATOM 61 N ARG A 147 2.198 -2.297 -7.115 1.00 0.00 N ATOM 62 CA ARG A 147 1.233 -1.223 -7.499 1.00 0.00 C ATOM 63 C ARG A 147 0.710 -0.523 -6.241 1.00 0.00 C ATOM 64 O ARG A 147 -0.436 -0.127 -6.164 1.00 0.00 O ATOM 65 CB ARG A 147 0.060 -1.836 -8.268 1.00 0.00 C ATOM 66 CG ARG A 147 0.482 -2.106 -9.714 1.00 0.00 C ATOM 67 CD ARG A 147 0.777 -0.779 -10.418 1.00 0.00 C ATOM 68 NE ARG A 147 0.419 -0.889 -11.860 1.00 0.00 N ATOM 69 CZ ARG A 147 1.329 -1.213 -12.738 1.00 0.00 C ATOM 70 NH1 ARG A 147 2.270 -2.062 -12.422 1.00 0.00 N ATOM 71 NH2 ARG A 147 1.299 -0.691 -13.934 1.00 0.00 N ATOM 0 H ARG A 147 1.807 -3.238 -7.079 1.00 0.00 H new ATOM 0 HA ARG A 147 1.741 -0.495 -8.132 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.256 -2.764 -7.791 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.795 -1.160 -8.248 1.00 0.00 H new ATOM 0 HG2 ARG A 147 1.366 -2.744 -9.733 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.308 -2.641 -10.241 1.00 0.00 H new ATOM 0 HD2 ARG A 147 0.209 0.026 -9.952 1.00 0.00 H new ATOM 0 HD3 ARG A 147 1.832 -0.526 -10.313 1.00 0.00 H new ATOM 0 HE ARG A 147 -0.539 -0.711 -12.162 1.00 0.00 H new ATOM 0 HH11 ARG A 147 2.294 -2.472 -11.489 1.00 0.00 H new ATOM 0 HH12 ARG A 147 2.981 -2.315 -13.109 1.00 0.00 H new ATOM 0 HH21 ARG A 147 0.564 -0.029 -14.183 1.00 0.00 H new ATOM 0 HH22 ARG A 147 2.011 -0.945 -14.619 1.00 0.00 H new ATOM 85 N GLY A 148 1.552 -0.365 -5.260 1.00 0.00 N ATOM 86 CA GLY A 148 1.140 0.310 -4.002 1.00 0.00 C ATOM 87 C GLY A 148 2.377 0.499 -3.121 1.00 0.00 C ATOM 88 O GLY A 148 2.286 0.565 -1.911 1.00 0.00 O ATOM 0 H GLY A 148 2.522 -0.680 -5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 148 0.682 1.274 -4.223 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.392 -0.287 -3.480 1.00 0.00 H new ATOM 92 N VAL A 149 3.538 0.582 -3.720 1.00 0.00 N ATOM 93 CA VAL A 149 4.779 0.759 -2.917 1.00 0.00 C ATOM 94 C VAL A 149 5.746 1.675 -3.670 1.00 0.00 C ATOM 95 O VAL A 149 6.260 1.327 -4.715 1.00 0.00 O ATOM 96 CB VAL A 149 5.434 -0.605 -2.698 1.00 0.00 C ATOM 97 CG1 VAL A 149 6.704 -0.435 -1.864 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.459 -1.524 -1.959 1.00 0.00 C ATOM 0 H VAL A 149 3.677 0.535 -4.729 1.00 0.00 H new ATOM 0 HA VAL A 149 4.533 1.206 -1.954 1.00 0.00 H new ATOM 0 HB VAL A 149 5.690 -1.044 -3.662 1.00 0.00 H new ATOM 0 HG11 VAL A 149 7.170 -1.408 -1.708 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.399 0.221 -2.389 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.450 0.004 -0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 149 4.924 -2.497 -1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 149 4.204 -1.084 -0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.553 -1.647 -2.553 1.00 0.00 H new ATOM 108 N ARG A 150 5.995 2.844 -3.149 1.00 0.00 N ATOM 109 CA ARG A 150 6.926 3.785 -3.836 1.00 0.00 C ATOM 110 C ARG A 150 8.364 3.479 -3.413 1.00 0.00 C ATOM 111 O ARG A 150 8.838 3.954 -2.400 1.00 0.00 O ATOM 112 CB ARG A 150 6.574 5.224 -3.450 1.00 0.00 C ATOM 113 CG ARG A 150 6.087 5.983 -4.687 1.00 0.00 C ATOM 114 CD ARG A 150 5.758 7.428 -4.304 1.00 0.00 C ATOM 115 NE ARG A 150 6.384 8.359 -5.286 1.00 0.00 N ATOM 116 CZ ARG A 150 7.520 8.938 -5.005 1.00 0.00 C ATOM 117 NH1 ARG A 150 8.621 8.238 -4.978 1.00 0.00 N ATOM 118 NH2 ARG A 150 7.555 10.217 -4.749 1.00 0.00 N ATOM 0 H ARG A 150 5.594 3.189 -2.277 1.00 0.00 H new ATOM 0 HA ARG A 150 6.832 3.666 -4.915 1.00 0.00 H new ATOM 0 HB2 ARG A 150 5.801 5.226 -2.682 1.00 0.00 H new ATOM 0 HB3 ARG A 150 7.446 5.721 -3.026 1.00 0.00 H new ATOM 0 HG2 ARG A 150 6.854 5.967 -5.462 1.00 0.00 H new ATOM 0 HG3 ARG A 150 5.204 5.496 -5.101 1.00 0.00 H new ATOM 0 HD2 ARG A 150 4.678 7.574 -4.287 1.00 0.00 H new ATOM 0 HD3 ARG A 150 6.125 7.642 -3.300 1.00 0.00 H new ATOM 0 HE ARG A 150 5.925 8.544 -6.178 1.00 0.00 H new ATOM 0 HH11 ARG A 150 8.594 7.238 -5.177 1.00 0.00 H new ATOM 0 HH12 ARG A 150 9.508 8.691 -4.758 1.00 0.00 H new ATOM 0 HH21 ARG A 150 6.695 10.765 -4.768 1.00 0.00 H new ATOM 0 HH22 ARG A 150 8.443 10.669 -4.529 1.00 0.00 H new ATOM 132 N GLN A 151 9.062 2.689 -4.182 1.00 0.00 N ATOM 133 CA GLN A 151 10.469 2.353 -3.824 1.00 0.00 C ATOM 134 C GLN A 151 11.291 3.639 -3.720 1.00 0.00 C ATOM 135 O GLN A 151 11.209 4.510 -4.564 1.00 0.00 O ATOM 136 CB GLN A 151 11.068 1.449 -4.905 1.00 0.00 C ATOM 137 CG GLN A 151 10.963 2.140 -6.266 1.00 0.00 C ATOM 138 CD GLN A 151 11.121 1.102 -7.378 1.00 0.00 C ATOM 139 OE1 GLN A 151 10.438 1.162 -8.381 1.00 0.00 O ATOM 140 NE2 GLN A 151 12.001 0.147 -7.243 1.00 0.00 N ATOM 0 H GLN A 151 8.719 2.262 -5.042 1.00 0.00 H new ATOM 0 HA GLN A 151 10.486 1.834 -2.866 1.00 0.00 H new ATOM 0 HB2 GLN A 151 12.111 1.232 -4.675 1.00 0.00 H new ATOM 0 HB3 GLN A 151 10.542 0.495 -4.928 1.00 0.00 H new ATOM 0 HG2 GLN A 151 10.000 2.643 -6.357 1.00 0.00 H new ATOM 0 HG3 GLN A 151 11.733 2.906 -6.357 1.00 0.00 H new ATOM 0 HE21 GLN A 151 12.574 0.097 -6.401 1.00 0.00 H new ATOM 0 HE22 GLN A 151 12.115 -0.549 -7.980 1.00 0.00 H new ATOM 149 N ARG A 152 12.080 3.769 -2.688 1.00 0.00 N ATOM 150 CA ARG A 152 12.903 5.000 -2.527 1.00 0.00 C ATOM 151 C ARG A 152 14.332 4.731 -3.007 1.00 0.00 C ATOM 152 O ARG A 152 14.746 3.594 -3.116 1.00 0.00 O ATOM 153 CB ARG A 152 12.931 5.403 -1.052 1.00 0.00 C ATOM 154 CG ARG A 152 11.651 6.165 -0.706 1.00 0.00 C ATOM 155 CD ARG A 152 11.523 7.389 -1.614 1.00 0.00 C ATOM 156 NE ARG A 152 10.717 8.436 -0.924 1.00 0.00 N ATOM 157 CZ ARG A 152 9.781 9.074 -1.573 1.00 0.00 C ATOM 158 NH1 ARG A 152 8.757 8.422 -2.052 1.00 0.00 N ATOM 159 NH2 ARG A 152 9.872 10.364 -1.745 1.00 0.00 N ATOM 0 H ARG A 152 12.190 3.075 -1.949 1.00 0.00 H new ATOM 0 HA ARG A 152 12.468 5.805 -3.119 1.00 0.00 H new ATOM 0 HB2 ARG A 152 13.020 4.517 -0.424 1.00 0.00 H new ATOM 0 HB3 ARG A 152 13.803 6.025 -0.851 1.00 0.00 H new ATOM 0 HG2 ARG A 152 10.784 5.516 -0.829 1.00 0.00 H new ATOM 0 HG3 ARG A 152 11.671 6.475 0.339 1.00 0.00 H new ATOM 0 HD2 ARG A 152 12.511 7.778 -1.859 1.00 0.00 H new ATOM 0 HD3 ARG A 152 11.048 7.110 -2.554 1.00 0.00 H new ATOM 0 HE ARG A 152 10.897 8.654 0.056 1.00 0.00 H new ATOM 0 HH11 ARG A 152 8.687 7.413 -1.919 1.00 0.00 H new ATOM 0 HH12 ARG A 152 8.026 8.921 -2.559 1.00 0.00 H new ATOM 0 HH21 ARG A 152 10.674 10.873 -1.373 1.00 0.00 H new ATOM 0 HH22 ARG A 152 9.141 10.864 -2.252 1.00 0.00 H new ATOM 173 N PRO A 153 15.044 5.795 -3.280 1.00 0.00 N ATOM 174 CA PRO A 153 16.438 5.720 -3.751 1.00 0.00 C ATOM 175 C PRO A 153 17.380 5.442 -2.577 1.00 0.00 C ATOM 176 O PRO A 153 18.374 4.755 -2.714 1.00 0.00 O ATOM 177 CB PRO A 153 16.694 7.111 -4.337 1.00 0.00 C ATOM 178 CG PRO A 153 15.668 8.059 -3.672 1.00 0.00 C ATOM 179 CD PRO A 153 14.525 7.172 -3.143 1.00 0.00 C ATOM 0 HA PRO A 153 16.606 4.921 -4.474 1.00 0.00 H new ATOM 0 HB2 PRO A 153 17.714 7.437 -4.133 1.00 0.00 H new ATOM 0 HB3 PRO A 153 16.572 7.105 -5.420 1.00 0.00 H new ATOM 0 HG2 PRO A 153 16.130 8.621 -2.860 1.00 0.00 H new ATOM 0 HG3 PRO A 153 15.292 8.788 -4.390 1.00 0.00 H new ATOM 0 HD2 PRO A 153 14.286 7.406 -2.106 1.00 0.00 H new ATOM 0 HD3 PRO A 153 13.611 7.313 -3.720 1.00 0.00 H new ATOM 187 N TRP A 154 17.075 5.971 -1.424 1.00 0.00 N ATOM 188 CA TRP A 154 17.950 5.737 -0.241 1.00 0.00 C ATOM 189 C TRP A 154 17.976 4.242 0.082 1.00 0.00 C ATOM 190 O TRP A 154 19.023 3.660 0.285 1.00 0.00 O ATOM 191 CB TRP A 154 17.400 6.509 0.960 1.00 0.00 C ATOM 192 CG TRP A 154 18.476 7.375 1.532 1.00 0.00 C ATOM 193 CD1 TRP A 154 18.723 8.653 1.164 1.00 0.00 C ATOM 194 CD2 TRP A 154 19.452 7.050 2.565 1.00 0.00 C ATOM 195 NE1 TRP A 154 19.788 9.135 1.905 1.00 0.00 N ATOM 196 CE2 TRP A 154 20.271 8.184 2.783 1.00 0.00 C ATOM 197 CE3 TRP A 154 19.702 5.893 3.327 1.00 0.00 C ATOM 198 CZ2 TRP A 154 21.302 8.171 3.724 1.00 0.00 C ATOM 199 CZ3 TRP A 154 20.739 5.875 4.276 1.00 0.00 C ATOM 200 CH2 TRP A 154 21.537 7.012 4.473 1.00 0.00 C ATOM 0 H TRP A 154 16.257 6.555 -1.250 1.00 0.00 H new ATOM 0 HA TRP A 154 18.961 6.080 -0.461 1.00 0.00 H new ATOM 0 HB2 TRP A 154 16.551 7.120 0.655 1.00 0.00 H new ATOM 0 HB3 TRP A 154 17.037 5.814 1.717 1.00 0.00 H new ATOM 0 HD1 TRP A 154 18.178 9.207 0.414 1.00 0.00 H new ATOM 0 HE1 TRP A 154 20.169 10.077 1.814 1.00 0.00 H new ATOM 0 HE3 TRP A 154 19.093 5.013 3.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 21.914 9.048 3.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 20.922 4.982 4.856 1.00 0.00 H new ATOM 0 HH2 TRP A 154 22.333 6.993 5.203 1.00 0.00 H new ATOM 211 N GLY A 155 16.832 3.618 0.129 1.00 0.00 N ATOM 212 CA GLY A 155 16.789 2.161 0.438 1.00 0.00 C ATOM 213 C GLY A 155 15.562 1.855 1.298 1.00 0.00 C ATOM 214 O GLY A 155 15.635 1.119 2.262 1.00 0.00 O ATOM 0 H GLY A 155 15.924 4.054 -0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 155 16.751 1.584 -0.486 1.00 0.00 H new ATOM 0 HA3 GLY A 155 17.697 1.863 0.963 1.00 0.00 H new ATOM 218 N LYS A 156 14.434 2.415 0.958 1.00 0.00 N ATOM 219 CA LYS A 156 13.203 2.155 1.758 1.00 0.00 C ATOM 220 C LYS A 156 12.046 1.799 0.823 1.00 0.00 C ATOM 221 O LYS A 156 12.236 1.562 -0.354 1.00 0.00 O ATOM 222 CB LYS A 156 12.842 3.408 2.559 1.00 0.00 C ATOM 223 CG LYS A 156 13.989 3.757 3.510 1.00 0.00 C ATOM 224 CD LYS A 156 13.429 4.029 4.907 1.00 0.00 C ATOM 225 CE LYS A 156 14.057 5.306 5.469 1.00 0.00 C ATOM 226 NZ LYS A 156 15.521 5.304 5.189 1.00 0.00 N ATOM 0 H LYS A 156 14.311 3.041 0.162 1.00 0.00 H new ATOM 0 HA LYS A 156 13.385 1.324 2.440 1.00 0.00 H new ATOM 0 HB2 LYS A 156 12.650 4.241 1.883 1.00 0.00 H new ATOM 0 HB3 LYS A 156 11.926 3.239 3.125 1.00 0.00 H new ATOM 0 HG2 LYS A 156 14.706 2.937 3.548 1.00 0.00 H new ATOM 0 HG3 LYS A 156 14.525 4.633 3.144 1.00 0.00 H new ATOM 0 HD2 LYS A 156 12.345 4.134 4.862 1.00 0.00 H new ATOM 0 HD3 LYS A 156 13.641 3.187 5.566 1.00 0.00 H new ATOM 0 HE2 LYS A 156 13.591 6.182 5.018 1.00 0.00 H new ATOM 0 HE3 LYS A 156 13.881 5.368 6.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 16.020 5.813 5.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 15.865 4.323 5.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 15.701 5.774 4.279 1.00 0.00 H new ATOM 240 N PHE A 157 10.847 1.764 1.337 1.00 0.00 N ATOM 241 CA PHE A 157 9.675 1.427 0.481 1.00 0.00 C ATOM 242 C PHE A 157 8.400 1.941 1.153 1.00 0.00 C ATOM 243 O PHE A 157 7.959 1.412 2.154 1.00 0.00 O ATOM 244 CB PHE A 157 9.587 -0.091 0.310 1.00 0.00 C ATOM 245 CG PHE A 157 10.642 -0.551 -0.669 1.00 0.00 C ATOM 246 CD1 PHE A 157 10.370 -0.551 -2.043 1.00 0.00 C ATOM 247 CD2 PHE A 157 11.892 -0.976 -0.202 1.00 0.00 C ATOM 248 CE1 PHE A 157 11.349 -0.978 -2.951 1.00 0.00 C ATOM 249 CE2 PHE A 157 12.871 -1.402 -1.110 1.00 0.00 C ATOM 250 CZ PHE A 157 12.600 -1.403 -2.483 1.00 0.00 C ATOM 0 H PHE A 157 10.628 1.955 2.315 1.00 0.00 H new ATOM 0 HA PHE A 157 9.788 1.894 -0.498 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.728 -0.585 1.272 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.596 -0.370 -0.049 1.00 0.00 H new ATOM 0 HD1 PHE A 157 9.406 -0.222 -2.403 1.00 0.00 H new ATOM 0 HD2 PHE A 157 12.102 -0.975 0.857 1.00 0.00 H new ATOM 0 HE1 PHE A 157 11.139 -0.979 -4.010 1.00 0.00 H new ATOM 0 HE2 PHE A 157 13.835 -1.730 -0.750 1.00 0.00 H new ATOM 0 HZ PHE A 157 13.355 -1.731 -3.182 1.00 0.00 H new ATOM 260 N ALA A 158 7.810 2.972 0.615 1.00 0.00 N ATOM 261 CA ALA A 158 6.569 3.525 1.230 1.00 0.00 C ATOM 262 C ALA A 158 5.356 2.715 0.776 1.00 0.00 C ATOM 263 O ALA A 158 5.237 2.345 -0.373 1.00 0.00 O ATOM 264 CB ALA A 158 6.385 4.978 0.797 1.00 0.00 C ATOM 0 H ALA A 158 8.132 3.456 -0.223 1.00 0.00 H new ATOM 0 HA ALA A 158 6.659 3.470 2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.478 5.380 1.248 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.243 5.566 1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.303 5.026 -0.289 1.00 0.00 H new ATOM 270 N ALA A 159 4.446 2.454 1.671 1.00 0.00 N ATOM 271 CA ALA A 159 3.229 1.684 1.299 1.00 0.00 C ATOM 272 C ALA A 159 2.021 2.618 1.358 1.00 0.00 C ATOM 273 O ALA A 159 1.648 3.091 2.410 1.00 0.00 O ATOM 274 CB ALA A 159 3.034 0.531 2.286 1.00 0.00 C ATOM 0 H ALA A 159 4.493 2.742 2.648 1.00 0.00 H new ATOM 0 HA ALA A 159 3.337 1.279 0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 159 2.142 -0.034 2.014 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.903 -0.126 2.254 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.917 0.930 3.294 1.00 0.00 H new ATOM 280 N GLU A 160 1.411 2.900 0.240 1.00 0.00 N ATOM 281 CA GLU A 160 0.234 3.813 0.250 1.00 0.00 C ATOM 282 C GLU A 160 -0.884 3.230 -0.614 1.00 0.00 C ATOM 283 O GLU A 160 -0.671 2.332 -1.404 1.00 0.00 O ATOM 284 CB GLU A 160 0.639 5.181 -0.303 1.00 0.00 C ATOM 285 CG GLU A 160 2.035 5.544 0.205 1.00 0.00 C ATOM 286 CD GLU A 160 3.076 5.159 -0.847 1.00 0.00 C ATOM 287 OE1 GLU A 160 2.947 4.087 -1.415 1.00 0.00 O ATOM 288 OE2 GLU A 160 3.983 5.943 -1.068 1.00 0.00 O ATOM 0 H GLU A 160 1.675 2.539 -0.677 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.121 3.923 1.275 1.00 0.00 H new ATOM 0 HB2 GLU A 160 0.631 5.161 -1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 160 -0.081 5.938 0.008 1.00 0.00 H new ATOM 0 HG2 GLU A 160 2.091 6.612 0.414 1.00 0.00 H new ATOM 0 HG3 GLU A 160 2.239 5.025 1.141 1.00 0.00 H new ATOM 295 N ILE A 161 -2.076 3.741 -0.470 1.00 0.00 N ATOM 296 CA ILE A 161 -3.217 3.229 -1.279 1.00 0.00 C ATOM 297 C ILE A 161 -4.106 4.407 -1.684 1.00 0.00 C ATOM 298 O ILE A 161 -4.291 5.343 -0.932 1.00 0.00 O ATOM 299 CB ILE A 161 -4.025 2.233 -0.446 1.00 0.00 C ATOM 300 CG1 ILE A 161 -5.333 1.905 -1.170 1.00 0.00 C ATOM 301 CG2 ILE A 161 -4.338 2.846 0.920 1.00 0.00 C ATOM 302 CD1 ILE A 161 -6.133 0.894 -0.347 1.00 0.00 C ATOM 0 H ILE A 161 -2.309 4.495 0.176 1.00 0.00 H new ATOM 0 HA ILE A 161 -2.845 2.727 -2.172 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.446 1.319 -0.310 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -5.917 2.813 -1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -5.121 1.498 -2.159 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.914 2.136 1.514 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.407 3.079 1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -4.917 3.760 0.785 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -7.064 0.661 -0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.549 -0.018 -0.223 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.357 1.318 0.632 1.00 0.00 H new ATOM 314 N ARG A 162 -4.651 4.374 -2.867 1.00 0.00 N ATOM 315 CA ARG A 162 -5.518 5.498 -3.317 1.00 0.00 C ATOM 316 C ARG A 162 -6.934 5.313 -2.768 1.00 0.00 C ATOM 317 O ARG A 162 -7.599 4.337 -3.053 1.00 0.00 O ATOM 318 CB ARG A 162 -5.564 5.527 -4.845 1.00 0.00 C ATOM 319 CG ARG A 162 -6.635 6.517 -5.304 1.00 0.00 C ATOM 320 CD ARG A 162 -7.882 5.753 -5.751 1.00 0.00 C ATOM 321 NE ARG A 162 -7.796 5.475 -7.213 1.00 0.00 N ATOM 322 CZ ARG A 162 -7.540 4.267 -7.634 1.00 0.00 C ATOM 323 NH1 ARG A 162 -8.497 3.381 -7.696 1.00 0.00 N ATOM 324 NH2 ARG A 162 -6.327 3.941 -7.990 1.00 0.00 N ATOM 0 H ARG A 162 -4.534 3.618 -3.542 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.109 6.438 -2.946 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -4.592 5.816 -5.243 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -5.784 4.532 -5.232 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -6.886 7.199 -4.492 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -6.255 7.125 -6.125 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -7.967 4.818 -5.197 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -8.777 6.336 -5.533 1.00 0.00 H new ATOM 0 HE ARG A 162 -7.937 6.230 -7.885 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -9.445 3.633 -7.415 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -8.297 2.437 -8.025 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -5.578 4.631 -7.939 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -6.129 2.996 -8.319 1.00 0.00 H new ATOM 338 N ASP A 163 -7.402 6.249 -1.989 1.00 0.00 N ATOM 339 CA ASP A 163 -8.777 6.135 -1.428 1.00 0.00 C ATOM 340 C ASP A 163 -9.670 7.201 -2.071 1.00 0.00 C ATOM 341 O ASP A 163 -9.663 8.342 -1.654 1.00 0.00 O ATOM 342 CB ASP A 163 -8.729 6.355 0.086 1.00 0.00 C ATOM 343 CG ASP A 163 -10.057 5.917 0.707 1.00 0.00 C ATOM 344 OD1 ASP A 163 -11.044 5.893 -0.009 1.00 0.00 O ATOM 345 OD2 ASP A 163 -10.063 5.614 1.888 1.00 0.00 O ATOM 0 H ASP A 163 -6.891 7.089 -1.717 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.179 5.144 -1.637 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.907 5.787 0.521 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.541 7.406 0.306 1.00 0.00 H new ATOM 350 N PRO A 164 -10.410 6.798 -3.073 1.00 0.00 N ATOM 351 CA PRO A 164 -11.317 7.703 -3.801 1.00 0.00 C ATOM 352 C PRO A 164 -12.582 7.973 -2.983 1.00 0.00 C ATOM 353 O PRO A 164 -13.220 8.998 -3.126 1.00 0.00 O ATOM 354 CB PRO A 164 -11.645 6.929 -5.082 1.00 0.00 C ATOM 355 CG PRO A 164 -11.380 5.438 -4.769 1.00 0.00 C ATOM 356 CD PRO A 164 -10.414 5.406 -3.569 1.00 0.00 C ATOM 0 HA PRO A 164 -10.877 8.680 -4.000 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -12.683 7.086 -5.376 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -11.024 7.268 -5.911 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -12.310 4.921 -4.532 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -10.944 4.932 -5.631 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -10.754 4.710 -2.802 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -9.416 5.087 -3.869 1.00 0.00 H new ATOM 364 N ALA A 165 -12.950 7.063 -2.124 1.00 0.00 N ATOM 365 CA ALA A 165 -14.171 7.270 -1.301 1.00 0.00 C ATOM 366 C ALA A 165 -13.963 8.464 -0.366 1.00 0.00 C ATOM 367 O ALA A 165 -14.905 9.078 0.091 1.00 0.00 O ATOM 368 CB ALA A 165 -14.446 6.016 -0.470 1.00 0.00 C ATOM 0 H ALA A 165 -12.457 6.186 -1.958 1.00 0.00 H new ATOM 0 HA ALA A 165 -15.019 7.466 -1.957 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -15.341 6.168 0.133 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -14.596 5.165 -1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -13.597 5.820 0.184 1.00 0.00 H new ATOM 374 N LYS A 166 -12.734 8.798 -0.080 1.00 0.00 N ATOM 375 CA LYS A 166 -12.468 9.952 0.824 1.00 0.00 C ATOM 376 C LYS A 166 -12.097 11.180 -0.008 1.00 0.00 C ATOM 377 O LYS A 166 -10.994 11.685 0.070 1.00 0.00 O ATOM 378 CB LYS A 166 -11.311 9.609 1.766 1.00 0.00 C ATOM 379 CG LYS A 166 -11.709 8.431 2.658 1.00 0.00 C ATOM 380 CD LYS A 166 -11.058 8.590 4.033 1.00 0.00 C ATOM 381 CE LYS A 166 -11.332 7.343 4.873 1.00 0.00 C ATOM 382 NZ LYS A 166 -12.803 7.133 4.987 1.00 0.00 N ATOM 0 H LYS A 166 -11.904 8.322 -0.433 1.00 0.00 H new ATOM 0 HA LYS A 166 -13.363 10.165 1.409 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -10.421 9.357 1.189 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -11.059 10.474 2.379 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -12.793 8.388 2.760 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -11.395 7.493 2.201 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -9.984 8.739 3.924 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -11.453 9.473 4.534 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -10.864 6.472 4.414 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -10.892 7.455 5.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -13.002 6.494 5.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -13.272 8.046 5.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -13.163 6.712 4.107 1.00 0.00 H new ATOM 396 N ASN A 167 -13.008 11.667 -0.806 1.00 0.00 N ATOM 397 CA ASN A 167 -12.705 12.864 -1.641 1.00 0.00 C ATOM 398 C ASN A 167 -11.363 12.669 -2.350 1.00 0.00 C ATOM 399 O ASN A 167 -10.541 13.562 -2.402 1.00 0.00 O ATOM 400 CB ASN A 167 -12.635 14.103 -0.746 1.00 0.00 C ATOM 401 CG ASN A 167 -14.052 14.583 -0.425 1.00 0.00 C ATOM 402 OD1 ASN A 167 -14.940 14.486 -1.249 1.00 0.00 O ATOM 403 ND2 ASN A 167 -14.303 15.098 0.747 1.00 0.00 N ATOM 0 H ASN A 167 -13.949 11.288 -0.916 1.00 0.00 H new ATOM 0 HA ASN A 167 -13.490 12.996 -2.385 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -12.102 13.869 0.175 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -12.076 14.894 -1.246 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -15.245 15.419 0.972 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -13.558 15.179 1.439 1.00 0.00 H new ATOM 410 N GLY A 168 -11.135 11.508 -2.898 1.00 0.00 N ATOM 411 CA GLY A 168 -9.846 11.256 -3.606 1.00 0.00 C ATOM 412 C GLY A 168 -8.676 11.653 -2.702 1.00 0.00 C ATOM 413 O GLY A 168 -7.876 12.501 -3.043 1.00 0.00 O ATOM 0 H GLY A 168 -11.785 10.722 -2.887 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -9.768 10.203 -3.877 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -9.812 11.827 -4.534 1.00 0.00 H new ATOM 417 N ALA A 169 -8.567 11.043 -1.553 1.00 0.00 N ATOM 418 CA ALA A 169 -7.446 11.384 -0.632 1.00 0.00 C ATOM 419 C ALA A 169 -6.426 10.242 -0.626 1.00 0.00 C ATOM 420 O ALA A 169 -6.783 9.081 -0.583 1.00 0.00 O ATOM 421 CB ALA A 169 -7.991 11.588 0.783 1.00 0.00 C ATOM 0 H ALA A 169 -9.205 10.324 -1.213 1.00 0.00 H new ATOM 0 HA ALA A 169 -6.964 12.301 -0.971 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -7.171 11.837 1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -8.717 12.401 0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -8.473 10.672 1.123 1.00 0.00 H new ATOM 427 N ARG A 170 -5.161 10.561 -0.673 1.00 0.00 N ATOM 428 CA ARG A 170 -4.121 9.495 -0.672 1.00 0.00 C ATOM 429 C ARG A 170 -4.017 8.879 0.726 1.00 0.00 C ATOM 430 O ARG A 170 -4.484 9.440 1.698 1.00 0.00 O ATOM 431 CB ARG A 170 -2.774 10.104 -1.066 1.00 0.00 C ATOM 432 CG ARG A 170 -2.334 11.107 0.000 1.00 0.00 C ATOM 433 CD ARG A 170 -2.180 12.491 -0.634 1.00 0.00 C ATOM 434 NE ARG A 170 -1.857 13.489 0.424 1.00 0.00 N ATOM 435 CZ ARG A 170 -2.765 13.831 1.297 1.00 0.00 C ATOM 436 NH1 ARG A 170 -3.759 14.596 0.937 1.00 0.00 N ATOM 437 NH2 ARG A 170 -2.679 13.408 2.528 1.00 0.00 N ATOM 0 H ARG A 170 -4.803 11.515 -0.712 1.00 0.00 H new ATOM 0 HA ARG A 170 -4.394 8.718 -1.387 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -2.025 9.319 -1.172 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -2.856 10.599 -2.034 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -3.068 11.144 0.805 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -1.390 10.791 0.444 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -1.390 12.473 -1.385 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -3.100 12.773 -1.146 1.00 0.00 H new ATOM 0 HE ARG A 170 -0.927 13.905 0.466 1.00 0.00 H new ATOM 0 HH11 ARG A 170 -3.826 14.926 -0.026 1.00 0.00 H new ATOM 0 HH12 ARG A 170 -4.469 14.864 1.618 1.00 0.00 H new ATOM 0 HH21 ARG A 170 -1.902 12.810 2.809 1.00 0.00 H new ATOM 0 HH22 ARG A 170 -3.389 13.676 3.210 1.00 0.00 H new ATOM 451 N VAL A 171 -3.412 7.726 0.834 1.00 0.00 N ATOM 452 CA VAL A 171 -3.283 7.074 2.167 1.00 0.00 C ATOM 453 C VAL A 171 -1.855 6.550 2.347 1.00 0.00 C ATOM 454 O VAL A 171 -1.503 5.499 1.851 1.00 0.00 O ATOM 455 CB VAL A 171 -4.267 5.906 2.255 1.00 0.00 C ATOM 456 CG1 VAL A 171 -3.970 5.074 3.503 1.00 0.00 C ATOM 457 CG2 VAL A 171 -5.696 6.450 2.335 1.00 0.00 C ATOM 0 H VAL A 171 -3.002 7.209 0.056 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.503 7.800 2.950 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.162 5.279 1.370 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.673 4.243 3.562 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -2.953 4.686 3.448 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -4.072 5.699 4.390 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.399 5.619 2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -5.797 7.078 3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -5.911 7.040 1.444 1.00 0.00 H new ATOM 467 N TRP A 172 -1.029 7.273 3.053 1.00 0.00 N ATOM 468 CA TRP A 172 0.374 6.812 3.260 1.00 0.00 C ATOM 469 C TRP A 172 0.425 5.835 4.437 1.00 0.00 C ATOM 470 O TRP A 172 0.580 6.227 5.576 1.00 0.00 O ATOM 471 CB TRP A 172 1.271 8.016 3.559 1.00 0.00 C ATOM 472 CG TRP A 172 2.690 7.561 3.704 1.00 0.00 C ATOM 473 CD1 TRP A 172 3.189 6.898 4.773 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.799 7.726 2.773 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.531 6.646 4.558 1.00 0.00 N ATOM 476 CE2 TRP A 172 4.954 7.135 3.341 1.00 0.00 C ATOM 477 CE3 TRP A 172 3.915 8.324 1.503 1.00 0.00 C ATOM 478 CZ2 TRP A 172 6.178 7.137 2.674 1.00 0.00 C ATOM 479 CZ3 TRP A 172 5.148 8.327 0.828 1.00 0.00 C ATOM 480 CH2 TRP A 172 6.276 7.735 1.413 1.00 0.00 C ATOM 0 H TRP A 172 -1.264 8.162 3.495 1.00 0.00 H new ATOM 0 HA TRP A 172 0.726 6.312 2.357 1.00 0.00 H new ATOM 0 HB2 TRP A 172 1.194 8.748 2.755 1.00 0.00 H new ATOM 0 HB3 TRP A 172 0.942 8.510 4.473 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.630 6.612 5.651 1.00 0.00 H new ATOM 0 HE1 TRP A 172 5.135 6.158 5.219 1.00 0.00 H new ATOM 0 HE3 TRP A 172 3.051 8.783 1.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 7.045 6.680 3.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 5.227 8.787 -0.146 1.00 0.00 H new ATOM 0 HH2 TRP A 172 7.221 7.741 0.890 1.00 0.00 H new ATOM 491 N LEU A 173 0.295 4.565 4.169 1.00 0.00 N ATOM 492 CA LEU A 173 0.340 3.564 5.273 1.00 0.00 C ATOM 493 C LEU A 173 1.593 3.802 6.119 1.00 0.00 C ATOM 494 O LEU A 173 1.531 3.864 7.330 1.00 0.00 O ATOM 495 CB LEU A 173 0.376 2.146 4.687 1.00 0.00 C ATOM 496 CG LEU A 173 -0.812 1.949 3.742 1.00 0.00 C ATOM 497 CD1 LEU A 173 -0.681 0.603 3.025 1.00 0.00 C ATOM 498 CD2 LEU A 173 -2.111 1.971 4.550 1.00 0.00 C ATOM 0 H LEU A 173 0.160 4.177 3.235 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.548 3.670 5.896 1.00 0.00 H new ATOM 0 HB2 LEU A 173 1.311 1.988 4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 173 0.341 1.409 5.490 1.00 0.00 H new ATOM 0 HG LEU A 173 -0.826 2.751 3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -1.528 0.465 2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 173 0.245 0.585 2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -0.667 -0.201 3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -2.959 1.831 3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -2.095 1.168 5.287 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -2.206 2.930 5.060 1.00 0.00 H new ATOM 510 N GLY A 174 2.731 3.943 5.490 1.00 0.00 N ATOM 511 CA GLY A 174 3.985 4.183 6.263 1.00 0.00 C ATOM 512 C GLY A 174 5.186 3.649 5.481 1.00 0.00 C ATOM 513 O GLY A 174 5.053 2.805 4.618 1.00 0.00 O ATOM 0 H GLY A 174 2.846 3.902 4.477 1.00 0.00 H new ATOM 0 HA2 GLY A 174 4.108 5.249 6.452 1.00 0.00 H new ATOM 0 HA3 GLY A 174 3.924 3.692 7.234 1.00 0.00 H new ATOM 517 N THR A 175 6.362 4.136 5.776 1.00 0.00 N ATOM 518 CA THR A 175 7.571 3.656 5.049 1.00 0.00 C ATOM 519 C THR A 175 7.927 2.246 5.526 1.00 0.00 C ATOM 520 O THR A 175 7.482 1.800 6.563 1.00 0.00 O ATOM 521 CB THR A 175 8.743 4.601 5.321 1.00 0.00 C ATOM 522 OG1 THR A 175 9.361 4.246 6.551 1.00 0.00 O ATOM 523 CG2 THR A 175 8.230 6.040 5.400 1.00 0.00 C ATOM 0 H THR A 175 6.537 4.845 6.488 1.00 0.00 H new ATOM 0 HA THR A 175 7.366 3.636 3.979 1.00 0.00 H new ATOM 0 HB THR A 175 9.471 4.521 4.514 1.00 0.00 H new ATOM 0 HG1 THR A 175 10.113 4.850 6.725 1.00 0.00 H new ATOM 0 HG21 THR A 175 9.065 6.714 5.594 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.757 6.310 4.456 1.00 0.00 H new ATOM 0 HG23 THR A 175 7.502 6.123 6.207 1.00 0.00 H new ATOM 531 N PHE A 176 8.727 1.541 4.773 1.00 0.00 N ATOM 532 CA PHE A 176 9.108 0.161 5.181 1.00 0.00 C ATOM 533 C PHE A 176 10.595 -0.064 4.898 1.00 0.00 C ATOM 534 O PHE A 176 11.282 0.810 4.406 1.00 0.00 O ATOM 535 CB PHE A 176 8.278 -0.846 4.387 1.00 0.00 C ATOM 536 CG PHE A 176 6.866 -0.846 4.918 1.00 0.00 C ATOM 537 CD1 PHE A 176 5.955 0.121 4.479 1.00 0.00 C ATOM 538 CD2 PHE A 176 6.471 -1.809 5.855 1.00 0.00 C ATOM 539 CE1 PHE A 176 4.645 0.127 4.977 1.00 0.00 C ATOM 540 CE2 PHE A 176 5.162 -1.804 6.352 1.00 0.00 C ATOM 541 CZ PHE A 176 4.249 -0.836 5.913 1.00 0.00 C ATOM 0 H PHE A 176 9.132 1.862 3.894 1.00 0.00 H new ATOM 0 HA PHE A 176 8.920 0.030 6.247 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.282 -0.586 3.329 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.712 -1.842 4.472 1.00 0.00 H new ATOM 0 HD1 PHE A 176 6.261 0.863 3.756 1.00 0.00 H new ATOM 0 HD2 PHE A 176 7.175 -2.555 6.194 1.00 0.00 H new ATOM 0 HE1 PHE A 176 3.942 0.874 4.639 1.00 0.00 H new ATOM 0 HE2 PHE A 176 4.856 -2.547 7.074 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.239 -0.833 6.297 1.00 0.00 H new ATOM 551 N GLU A 177 11.101 -1.227 5.206 1.00 0.00 N ATOM 552 CA GLU A 177 12.544 -1.500 4.953 1.00 0.00 C ATOM 553 C GLU A 177 12.719 -2.065 3.542 1.00 0.00 C ATOM 554 O GLU A 177 13.749 -1.897 2.919 1.00 0.00 O ATOM 555 CB GLU A 177 13.060 -2.515 5.975 1.00 0.00 C ATOM 556 CG GLU A 177 13.961 -1.805 6.988 1.00 0.00 C ATOM 557 CD GLU A 177 15.398 -1.783 6.465 1.00 0.00 C ATOM 558 OE1 GLU A 177 15.617 -1.200 5.415 1.00 0.00 O ATOM 559 OE2 GLU A 177 16.257 -2.348 7.121 1.00 0.00 O ATOM 0 H GLU A 177 10.579 -1.998 5.621 1.00 0.00 H new ATOM 0 HA GLU A 177 13.108 -0.572 5.045 1.00 0.00 H new ATOM 0 HB2 GLU A 177 12.223 -2.990 6.487 1.00 0.00 H new ATOM 0 HB3 GLU A 177 13.615 -3.306 5.470 1.00 0.00 H new ATOM 0 HG2 GLU A 177 13.608 -0.787 7.154 1.00 0.00 H new ATOM 0 HG3 GLU A 177 13.920 -2.318 7.949 1.00 0.00 H new ATOM 566 N THR A 178 11.722 -2.735 3.032 1.00 0.00 N ATOM 567 CA THR A 178 11.835 -3.310 1.661 1.00 0.00 C ATOM 568 C THR A 178 10.488 -3.194 0.945 1.00 0.00 C ATOM 569 O THR A 178 9.478 -2.893 1.549 1.00 0.00 O ATOM 570 CB THR A 178 12.231 -4.784 1.759 1.00 0.00 C ATOM 571 OG1 THR A 178 11.071 -5.568 2.005 1.00 0.00 O ATOM 572 CG2 THR A 178 13.229 -4.974 2.902 1.00 0.00 C ATOM 0 H THR A 178 10.835 -2.909 3.504 1.00 0.00 H new ATOM 0 HA THR A 178 12.593 -2.764 1.100 1.00 0.00 H new ATOM 0 HB THR A 178 12.693 -5.099 0.823 1.00 0.00 H new ATOM 0 HG1 THR A 178 11.322 -6.513 2.067 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.509 -6.025 2.969 1.00 0.00 H new ATOM 0 HG22 THR A 178 14.118 -4.373 2.712 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.772 -4.660 3.840 1.00 0.00 H new ATOM 580 N ALA A 179 10.463 -3.436 -0.337 1.00 0.00 N ATOM 581 CA ALA A 179 9.182 -3.345 -1.086 1.00 0.00 C ATOM 582 C ALA A 179 8.297 -4.531 -0.708 1.00 0.00 C ATOM 583 O ALA A 179 7.092 -4.474 -0.814 1.00 0.00 O ATOM 584 CB ALA A 179 9.466 -3.378 -2.588 1.00 0.00 C ATOM 0 H ALA A 179 11.276 -3.693 -0.897 1.00 0.00 H new ATOM 0 HA ALA A 179 8.675 -2.413 -0.835 1.00 0.00 H new ATOM 0 HB1 ALA A 179 8.527 -3.311 -3.137 1.00 0.00 H new ATOM 0 HB2 ALA A 179 10.104 -2.536 -2.856 1.00 0.00 H new ATOM 0 HB3 ALA A 179 9.970 -4.310 -2.843 1.00 0.00 H new ATOM 590 N GLU A 180 8.888 -5.607 -0.267 1.00 0.00 N ATOM 591 CA GLU A 180 8.079 -6.798 0.120 1.00 0.00 C ATOM 592 C GLU A 180 7.298 -6.493 1.398 1.00 0.00 C ATOM 593 O GLU A 180 6.155 -6.876 1.547 1.00 0.00 O ATOM 594 CB GLU A 180 9.010 -7.988 0.362 1.00 0.00 C ATOM 595 CG GLU A 180 8.193 -9.280 0.405 1.00 0.00 C ATOM 596 CD GLU A 180 9.112 -10.472 0.130 1.00 0.00 C ATOM 597 OE1 GLU A 180 10.216 -10.249 -0.340 1.00 0.00 O ATOM 598 OE2 GLU A 180 8.696 -11.588 0.395 1.00 0.00 O ATOM 0 H GLU A 180 9.897 -5.713 -0.158 1.00 0.00 H new ATOM 0 HA GLU A 180 7.381 -7.039 -0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.757 -8.045 -0.430 1.00 0.00 H new ATOM 0 HB3 GLU A 180 9.549 -7.856 1.300 1.00 0.00 H new ATOM 0 HG2 GLU A 180 7.718 -9.390 1.380 1.00 0.00 H new ATOM 0 HG3 GLU A 180 7.395 -9.243 -0.336 1.00 0.00 H new ATOM 605 N ASP A 181 7.908 -5.809 2.324 1.00 0.00 N ATOM 606 CA ASP A 181 7.206 -5.479 3.593 1.00 0.00 C ATOM 607 C ASP A 181 6.187 -4.367 3.338 1.00 0.00 C ATOM 608 O ASP A 181 5.056 -4.434 3.779 1.00 0.00 O ATOM 609 CB ASP A 181 8.226 -5.005 4.631 1.00 0.00 C ATOM 610 CG ASP A 181 9.570 -5.702 4.393 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.588 -6.922 4.381 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.554 -5.002 4.226 1.00 0.00 O ATOM 0 H ASP A 181 8.865 -5.464 2.256 1.00 0.00 H new ATOM 0 HA ASP A 181 6.692 -6.365 3.965 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.350 -3.924 4.566 1.00 0.00 H new ATOM 0 HB3 ASP A 181 7.865 -5.224 5.636 1.00 0.00 H new ATOM 617 N ALA A 182 6.577 -3.343 2.630 1.00 0.00 N ATOM 618 CA ALA A 182 5.632 -2.226 2.347 1.00 0.00 C ATOM 619 C ALA A 182 4.474 -2.743 1.493 1.00 0.00 C ATOM 620 O ALA A 182 3.360 -2.265 1.582 1.00 0.00 O ATOM 621 CB ALA A 182 6.366 -1.115 1.592 1.00 0.00 C ATOM 0 H ALA A 182 7.511 -3.231 2.235 1.00 0.00 H new ATOM 0 HA ALA A 182 5.244 -1.832 3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.675 -0.298 1.385 1.00 0.00 H new ATOM 0 HB2 ALA A 182 7.192 -0.746 2.200 1.00 0.00 H new ATOM 0 HB3 ALA A 182 6.754 -1.509 0.653 1.00 0.00 H new ATOM 627 N ALA A 183 4.729 -3.718 0.666 1.00 0.00 N ATOM 628 CA ALA A 183 3.642 -4.267 -0.191 1.00 0.00 C ATOM 629 C ALA A 183 2.686 -5.087 0.672 1.00 0.00 C ATOM 630 O ALA A 183 1.483 -4.932 0.600 1.00 0.00 O ATOM 631 CB ALA A 183 4.250 -5.161 -1.273 1.00 0.00 C ATOM 0 H ALA A 183 5.642 -4.158 0.547 1.00 0.00 H new ATOM 0 HA ALA A 183 3.097 -3.449 -0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.455 -5.564 -1.901 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.936 -4.576 -1.886 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.793 -5.982 -0.804 1.00 0.00 H new ATOM 637 N LEU A 184 3.210 -5.956 1.494 1.00 0.00 N ATOM 638 CA LEU A 184 2.325 -6.778 2.363 1.00 0.00 C ATOM 639 C LEU A 184 1.482 -5.846 3.230 1.00 0.00 C ATOM 640 O LEU A 184 0.330 -6.111 3.512 1.00 0.00 O ATOM 641 CB LEU A 184 3.175 -7.682 3.258 1.00 0.00 C ATOM 642 CG LEU A 184 2.302 -8.803 3.825 1.00 0.00 C ATOM 643 CD1 LEU A 184 2.850 -10.157 3.372 1.00 0.00 C ATOM 644 CD2 LEU A 184 2.313 -8.733 5.353 1.00 0.00 C ATOM 0 H LEU A 184 4.209 -6.131 1.600 1.00 0.00 H new ATOM 0 HA LEU A 184 1.676 -7.399 1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 184 4.002 -8.104 2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.612 -7.101 4.070 1.00 0.00 H new ATOM 0 HG LEU A 184 1.281 -8.686 3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 184 2.228 -10.955 3.776 1.00 0.00 H new ATOM 0 HD12 LEU A 184 2.842 -10.207 2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 184 3.872 -10.275 3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 184 1.691 -9.531 5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 184 3.334 -8.849 5.715 1.00 0.00 H new ATOM 0 HD23 LEU A 184 1.921 -7.768 5.676 1.00 0.00 H new ATOM 656 N ALA A 185 2.046 -4.746 3.648 1.00 0.00 N ATOM 657 CA ALA A 185 1.274 -3.788 4.484 1.00 0.00 C ATOM 658 C ALA A 185 0.213 -3.121 3.611 1.00 0.00 C ATOM 659 O ALA A 185 -0.841 -2.736 4.078 1.00 0.00 O ATOM 660 CB ALA A 185 2.219 -2.725 5.047 1.00 0.00 C ATOM 0 H ALA A 185 3.007 -4.471 3.446 1.00 0.00 H new ATOM 0 HA ALA A 185 0.797 -4.314 5.311 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.653 -2.023 5.660 1.00 0.00 H new ATOM 0 HB2 ALA A 185 2.984 -3.205 5.658 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.694 -2.189 4.226 1.00 0.00 H new ATOM 666 N TYR A 186 0.481 -2.993 2.340 1.00 0.00 N ATOM 667 CA TYR A 186 -0.513 -2.363 1.427 1.00 0.00 C ATOM 668 C TYR A 186 -1.747 -3.257 1.346 1.00 0.00 C ATOM 669 O TYR A 186 -2.841 -2.798 1.106 1.00 0.00 O ATOM 670 CB TYR A 186 0.093 -2.213 0.030 1.00 0.00 C ATOM 671 CG TYR A 186 -0.995 -1.849 -0.948 1.00 0.00 C ATOM 672 CD1 TYR A 186 -1.867 -2.839 -1.418 1.00 0.00 C ATOM 673 CD2 TYR A 186 -1.139 -0.525 -1.381 1.00 0.00 C ATOM 674 CE1 TYR A 186 -2.883 -2.506 -2.322 1.00 0.00 C ATOM 675 CE2 TYR A 186 -2.154 -0.191 -2.285 1.00 0.00 C ATOM 676 CZ TYR A 186 -3.028 -1.181 -2.756 1.00 0.00 C ATOM 677 OH TYR A 186 -4.029 -0.853 -3.647 1.00 0.00 O ATOM 0 H TYR A 186 1.346 -3.298 1.895 1.00 0.00 H new ATOM 0 HA TYR A 186 -0.788 -1.380 1.808 1.00 0.00 H new ATOM 0 HB2 TYR A 186 0.865 -1.443 0.036 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.573 -3.143 -0.272 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -1.756 -3.860 -1.083 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.467 0.238 -1.017 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -3.555 -3.270 -2.685 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -2.264 0.830 -2.620 1.00 0.00 H new ATOM 0 HH TYR A 186 -3.991 0.106 -3.843 1.00 0.00 H new ATOM 687 N ASP A 187 -1.573 -4.531 1.536 1.00 0.00 N ATOM 688 CA ASP A 187 -2.725 -5.464 1.471 1.00 0.00 C ATOM 689 C ASP A 187 -3.608 -5.262 2.700 1.00 0.00 C ATOM 690 O ASP A 187 -4.813 -5.157 2.608 1.00 0.00 O ATOM 691 CB ASP A 187 -2.197 -6.896 1.455 1.00 0.00 C ATOM 692 CG ASP A 187 -1.196 -7.060 0.309 1.00 0.00 C ATOM 693 OD1 ASP A 187 -1.018 -6.110 -0.436 1.00 0.00 O ATOM 694 OD2 ASP A 187 -0.625 -8.132 0.198 1.00 0.00 O ATOM 0 H ASP A 187 -0.674 -4.969 1.735 1.00 0.00 H new ATOM 0 HA ASP A 187 -3.309 -5.274 0.571 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.718 -7.129 2.406 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -3.022 -7.598 1.334 1.00 0.00 H new ATOM 699 N ARG A 188 -3.007 -5.223 3.853 1.00 0.00 N ATOM 700 CA ARG A 188 -3.790 -5.042 5.111 1.00 0.00 C ATOM 701 C ARG A 188 -4.622 -3.757 5.053 1.00 0.00 C ATOM 702 O ARG A 188 -5.712 -3.695 5.587 1.00 0.00 O ATOM 703 CB ARG A 188 -2.830 -4.963 6.298 1.00 0.00 C ATOM 704 CG ARG A 188 -3.516 -5.514 7.549 1.00 0.00 C ATOM 705 CD ARG A 188 -2.986 -6.917 7.847 1.00 0.00 C ATOM 706 NE ARG A 188 -2.309 -6.923 9.174 1.00 0.00 N ATOM 707 CZ ARG A 188 -1.801 -8.029 9.644 1.00 0.00 C ATOM 708 NH1 ARG A 188 -2.589 -8.977 10.075 1.00 0.00 N ATOM 709 NH2 ARG A 188 -0.507 -8.190 9.683 1.00 0.00 N ATOM 0 H ARG A 188 -1.999 -5.309 3.983 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.463 -5.892 5.226 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -1.925 -5.533 6.086 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -2.524 -3.930 6.464 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -3.330 -4.856 8.398 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -4.595 -5.546 7.400 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -3.806 -7.635 7.842 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -2.287 -7.226 7.069 1.00 0.00 H new ATOM 0 HE ARG A 188 -2.243 -6.061 9.716 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -3.601 -8.853 10.044 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -2.193 -9.842 10.443 1.00 0.00 H new ATOM 0 HH21 ARG A 188 0.109 -7.451 9.346 1.00 0.00 H new ATOM 0 HH22 ARG A 188 -0.112 -9.055 10.051 1.00 0.00 H new ATOM 723 N ALA A 189 -4.123 -2.728 4.427 1.00 0.00 N ATOM 724 CA ALA A 189 -4.900 -1.455 4.365 1.00 0.00 C ATOM 725 C ALA A 189 -5.899 -1.508 3.207 1.00 0.00 C ATOM 726 O ALA A 189 -7.015 -1.040 3.314 1.00 0.00 O ATOM 727 CB ALA A 189 -3.941 -0.282 4.154 1.00 0.00 C ATOM 0 H ALA A 189 -3.217 -2.711 3.958 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.443 -1.323 5.301 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.508 0.648 4.109 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -3.234 -0.236 4.983 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.396 -0.421 3.220 1.00 0.00 H new ATOM 733 N ALA A 190 -5.503 -2.069 2.103 1.00 0.00 N ATOM 734 CA ALA A 190 -6.420 -2.151 0.933 1.00 0.00 C ATOM 735 C ALA A 190 -7.554 -3.128 1.239 1.00 0.00 C ATOM 736 O ALA A 190 -8.589 -3.107 0.606 1.00 0.00 O ATOM 737 CB ALA A 190 -5.641 -2.640 -0.290 1.00 0.00 C ATOM 0 H ALA A 190 -4.579 -2.477 1.958 1.00 0.00 H new ATOM 0 HA ALA A 190 -6.837 -1.165 0.729 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -6.311 -2.701 -1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -4.833 -1.942 -0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -5.224 -3.626 -0.085 1.00 0.00 H new ATOM 743 N PHE A 191 -7.373 -3.980 2.209 1.00 0.00 N ATOM 744 CA PHE A 191 -8.448 -4.951 2.553 1.00 0.00 C ATOM 745 C PHE A 191 -9.428 -4.291 3.520 1.00 0.00 C ATOM 746 O PHE A 191 -10.627 -4.452 3.412 1.00 0.00 O ATOM 747 CB PHE A 191 -7.831 -6.188 3.210 1.00 0.00 C ATOM 748 CG PHE A 191 -8.657 -7.405 2.868 1.00 0.00 C ATOM 749 CD1 PHE A 191 -9.848 -7.660 3.560 1.00 0.00 C ATOM 750 CD2 PHE A 191 -8.233 -8.279 1.858 1.00 0.00 C ATOM 751 CE1 PHE A 191 -10.615 -8.789 3.244 1.00 0.00 C ATOM 752 CE2 PHE A 191 -9.000 -9.407 1.541 1.00 0.00 C ATOM 753 CZ PHE A 191 -10.191 -9.663 2.233 1.00 0.00 C ATOM 0 H PHE A 191 -6.529 -4.046 2.777 1.00 0.00 H new ATOM 0 HA PHE A 191 -8.974 -5.252 1.647 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -6.806 -6.323 2.865 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -7.789 -6.056 4.291 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -10.175 -6.986 4.338 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -7.315 -8.083 1.324 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -11.532 -8.986 3.779 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -8.673 -10.080 0.762 1.00 0.00 H new ATOM 0 HZ PHE A 191 -10.782 -10.533 1.988 1.00 0.00 H new ATOM 763 N ARG A 192 -8.928 -3.541 4.459 1.00 0.00 N ATOM 764 CA ARG A 192 -9.831 -2.858 5.426 1.00 0.00 C ATOM 765 C ARG A 192 -10.775 -1.939 4.652 1.00 0.00 C ATOM 766 O ARG A 192 -11.949 -1.839 4.946 1.00 0.00 O ATOM 767 CB ARG A 192 -8.997 -2.024 6.400 1.00 0.00 C ATOM 768 CG ARG A 192 -8.126 -2.950 7.254 1.00 0.00 C ATOM 769 CD ARG A 192 -8.679 -3.001 8.680 1.00 0.00 C ATOM 770 NE ARG A 192 -7.597 -2.661 9.646 1.00 0.00 N ATOM 771 CZ ARG A 192 -7.748 -2.930 10.915 1.00 0.00 C ATOM 772 NH1 ARG A 192 -8.940 -2.912 11.447 1.00 0.00 N ATOM 773 NH2 ARG A 192 -6.710 -3.213 11.652 1.00 0.00 N ATOM 0 H ARG A 192 -7.932 -3.371 4.600 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.405 -3.598 5.984 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -8.369 -1.323 5.849 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -9.651 -1.431 7.040 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -8.110 -3.951 6.823 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -7.097 -2.591 7.264 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -9.508 -2.301 8.785 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -9.072 -3.995 8.893 1.00 0.00 H new ATOM 0 HE ARG A 192 -6.739 -2.219 9.317 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -9.752 -2.688 10.872 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -9.059 -3.122 12.438 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -5.778 -3.225 11.237 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -6.830 -3.423 12.643 1.00 0.00 H new ATOM 787 N MET A 193 -10.260 -1.273 3.659 1.00 0.00 N ATOM 788 CA MET A 193 -11.108 -0.358 2.845 1.00 0.00 C ATOM 789 C MET A 193 -11.948 -1.175 1.864 1.00 0.00 C ATOM 790 O MET A 193 -13.122 -0.926 1.676 1.00 0.00 O ATOM 791 CB MET A 193 -10.208 0.599 2.064 1.00 0.00 C ATOM 792 CG MET A 193 -10.989 1.865 1.712 1.00 0.00 C ATOM 793 SD MET A 193 -9.974 2.925 0.654 1.00 0.00 S ATOM 794 CE MET A 193 -8.502 2.956 1.706 1.00 0.00 C ATOM 0 H MET A 193 -9.282 -1.323 3.374 1.00 0.00 H new ATOM 0 HA MET A 193 -11.768 0.209 3.502 1.00 0.00 H new ATOM 0 HB2 MET A 193 -9.330 0.854 2.657 1.00 0.00 H new ATOM 0 HB3 MET A 193 -9.849 0.116 1.155 1.00 0.00 H new ATOM 0 HG2 MET A 193 -11.916 1.603 1.201 1.00 0.00 H new ATOM 0 HG3 MET A 193 -11.266 2.399 2.621 1.00 0.00 H new ATOM 0 HE1 MET A 193 -7.825 3.738 1.362 1.00 0.00 H new ATOM 0 HE2 MET A 193 -8.795 3.157 2.736 1.00 0.00 H new ATOM 0 HE3 MET A 193 -7.997 1.991 1.654 1.00 0.00 H new ATOM 804 N ARG A 194 -11.353 -2.150 1.239 1.00 0.00 N ATOM 805 CA ARG A 194 -12.108 -2.990 0.268 1.00 0.00 C ATOM 806 C ARG A 194 -12.462 -4.319 0.932 1.00 0.00 C ATOM 807 O ARG A 194 -12.492 -5.354 0.297 1.00 0.00 O ATOM 808 CB ARG A 194 -11.246 -3.250 -0.968 1.00 0.00 C ATOM 809 CG ARG A 194 -11.403 -2.089 -1.952 1.00 0.00 C ATOM 810 CD ARG A 194 -10.353 -2.209 -3.058 1.00 0.00 C ATOM 811 NE ARG A 194 -10.783 -1.408 -4.238 1.00 0.00 N ATOM 812 CZ ARG A 194 -9.938 -1.157 -5.199 1.00 0.00 C ATOM 813 NH1 ARG A 194 -8.823 -1.832 -5.281 1.00 0.00 N ATOM 814 NH2 ARG A 194 -10.206 -0.231 -6.079 1.00 0.00 N ATOM 0 H ARG A 194 -10.372 -2.403 1.359 1.00 0.00 H new ATOM 0 HA ARG A 194 -13.019 -2.473 -0.034 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -10.200 -3.357 -0.679 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -11.544 -4.185 -1.442 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -12.404 -2.098 -2.384 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -11.289 -1.139 -1.430 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -9.387 -1.856 -2.697 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -10.225 -3.254 -3.341 1.00 0.00 H new ATOM 0 HE ARG A 194 -11.739 -1.056 -4.294 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -8.613 -2.556 -4.593 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -8.162 -1.636 -6.033 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -11.077 0.297 -6.015 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -9.545 -0.035 -6.831 1.00 0.00 H new ATOM 828 N GLY A 195 -12.722 -4.293 2.210 1.00 0.00 N ATOM 829 CA GLY A 195 -13.070 -5.549 2.937 1.00 0.00 C ATOM 830 C GLY A 195 -14.006 -6.405 2.079 1.00 0.00 C ATOM 831 O GLY A 195 -14.577 -5.936 1.114 1.00 0.00 O ATOM 0 H GLY A 195 -12.709 -3.451 2.786 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -12.164 -6.108 3.170 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -13.550 -5.309 3.886 1.00 0.00 H new ATOM 835 N SER A 196 -14.159 -7.657 2.431 1.00 0.00 N ATOM 836 CA SER A 196 -15.052 -8.569 1.649 1.00 0.00 C ATOM 837 C SER A 196 -14.278 -9.147 0.462 1.00 0.00 C ATOM 838 O SER A 196 -14.301 -10.337 0.215 1.00 0.00 O ATOM 839 CB SER A 196 -16.273 -7.799 1.141 1.00 0.00 C ATOM 840 OG SER A 196 -17.409 -8.653 1.157 1.00 0.00 O ATOM 0 H SER A 196 -13.700 -8.090 3.232 1.00 0.00 H new ATOM 0 HA SER A 196 -15.388 -9.380 2.295 1.00 0.00 H new ATOM 0 HB2 SER A 196 -16.452 -6.925 1.767 1.00 0.00 H new ATOM 0 HB3 SER A 196 -16.092 -7.435 0.130 1.00 0.00 H new ATOM 0 HG SER A 196 -18.193 -8.161 0.834 1.00 0.00 H new ATOM 846 N ARG A 197 -13.590 -8.318 -0.274 1.00 0.00 N ATOM 847 CA ARG A 197 -12.814 -8.824 -1.441 1.00 0.00 C ATOM 848 C ARG A 197 -11.946 -7.693 -1.997 1.00 0.00 C ATOM 849 O ARG A 197 -12.421 -6.607 -2.260 1.00 0.00 O ATOM 850 CB ARG A 197 -13.777 -9.312 -2.526 1.00 0.00 C ATOM 851 CG ARG A 197 -13.532 -10.797 -2.796 1.00 0.00 C ATOM 852 CD ARG A 197 -14.188 -11.194 -4.120 1.00 0.00 C ATOM 853 NE ARG A 197 -15.636 -11.466 -3.897 1.00 0.00 N ATOM 854 CZ ARG A 197 -16.531 -10.923 -4.678 1.00 0.00 C ATOM 855 NH1 ARG A 197 -16.508 -9.637 -4.900 1.00 0.00 N ATOM 856 NH2 ARG A 197 -17.448 -11.665 -5.236 1.00 0.00 N ATOM 0 H ARG A 197 -13.532 -7.312 -0.118 1.00 0.00 H new ATOM 0 HA ARG A 197 -12.179 -9.652 -1.126 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -14.808 -9.154 -2.209 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -13.633 -8.737 -3.441 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -12.461 -10.998 -2.835 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -13.940 -11.397 -1.982 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -14.066 -10.396 -4.852 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -13.700 -12.079 -4.529 1.00 0.00 H new ATOM 0 HE ARG A 197 -15.928 -12.077 -3.134 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -15.791 -9.057 -4.464 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -17.207 -9.212 -5.510 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -17.466 -12.670 -5.062 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -18.147 -11.240 -5.846 1.00 0.00 H new ATOM 870 N ALA A 198 -10.676 -7.937 -2.175 1.00 0.00 N ATOM 871 CA ALA A 198 -9.784 -6.870 -2.711 1.00 0.00 C ATOM 872 C ALA A 198 -8.521 -7.501 -3.296 1.00 0.00 C ATOM 873 O ALA A 198 -8.057 -8.528 -2.840 1.00 0.00 O ATOM 874 CB ALA A 198 -9.398 -5.915 -1.579 1.00 0.00 C ATOM 0 H ALA A 198 -10.219 -8.826 -1.973 1.00 0.00 H new ATOM 0 HA ALA A 198 -10.308 -6.319 -3.492 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -8.745 -5.134 -1.969 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -10.298 -5.462 -1.162 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -8.876 -6.468 -0.799 1.00 0.00 H new ATOM 880 N LEU A 199 -7.958 -6.892 -4.304 1.00 0.00 N ATOM 881 CA LEU A 199 -6.722 -7.452 -4.920 1.00 0.00 C ATOM 882 C LEU A 199 -5.496 -6.875 -4.209 1.00 0.00 C ATOM 883 O LEU A 199 -5.309 -5.676 -4.149 1.00 0.00 O ATOM 884 CB LEU A 199 -6.678 -7.076 -6.402 1.00 0.00 C ATOM 885 CG LEU A 199 -6.810 -8.341 -7.251 1.00 0.00 C ATOM 886 CD1 LEU A 199 -8.069 -8.248 -8.116 1.00 0.00 C ATOM 887 CD2 LEU A 199 -5.581 -8.478 -8.154 1.00 0.00 C ATOM 0 H LEU A 199 -8.301 -6.030 -4.728 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.723 -8.538 -4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.485 -6.382 -6.636 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -5.742 -6.567 -6.632 1.00 0.00 H new ATOM 0 HG LEU A 199 -6.882 -9.211 -6.598 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -8.162 -9.150 -8.721 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -8.945 -8.149 -7.475 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -7.998 -7.379 -8.770 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -5.673 -9.379 -8.760 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -5.510 -7.608 -8.806 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -4.683 -8.545 -7.539 1.00 0.00 H new ATOM 899 N LEU A 200 -4.658 -7.717 -3.669 1.00 0.00 N ATOM 900 CA LEU A 200 -3.443 -7.211 -2.961 1.00 0.00 C ATOM 901 C LEU A 200 -2.196 -7.800 -3.615 1.00 0.00 C ATOM 902 O LEU A 200 -2.246 -8.835 -4.250 1.00 0.00 O ATOM 903 CB LEU A 200 -3.466 -7.620 -1.478 1.00 0.00 C ATOM 904 CG LEU A 200 -4.773 -8.340 -1.137 1.00 0.00 C ATOM 905 CD1 LEU A 200 -4.613 -9.094 0.185 1.00 0.00 C ATOM 906 CD2 LEU A 200 -5.893 -7.310 -1.001 1.00 0.00 C ATOM 0 H LEU A 200 -4.760 -8.732 -3.686 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.431 -6.123 -3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.619 -8.271 -1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.357 -6.736 -0.850 1.00 0.00 H new ATOM 0 HG LEU A 200 -5.017 -9.047 -1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.544 -9.606 0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -3.810 -9.825 0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -4.370 -8.388 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.827 -7.818 -0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.645 -6.606 -0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -6.007 -6.771 -1.941 1.00 0.00 H new ATOM 918 N ASN A 201 -1.074 -7.156 -3.456 1.00 0.00 N ATOM 919 CA ASN A 201 0.175 -7.698 -4.066 1.00 0.00 C ATOM 920 C ASN A 201 0.344 -9.141 -3.599 1.00 0.00 C ATOM 921 O ASN A 201 0.805 -9.995 -4.329 1.00 0.00 O ATOM 922 CB ASN A 201 1.403 -6.887 -3.626 1.00 0.00 C ATOM 923 CG ASN A 201 0.997 -5.467 -3.221 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.312 -5.029 -2.032 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 0.388 -4.751 -3.990 1.00 0.00 N flip ATOM 0 H ASN A 201 -0.966 -6.286 -2.935 1.00 0.00 H new ATOM 0 HA ASN A 201 0.096 -7.639 -5.152 1.00 0.00 H new ATOM 0 HB2 ASN A 201 1.892 -7.384 -2.788 1.00 0.00 H new ATOM 0 HB3 ASN A 201 2.128 -6.845 -4.439 1.00 0.00 H new ATOM 0 HD21 ASN A 201 0.142 -5.093 -4.919 1.00 0.00 H new ATOM 0 HD22 ASN A 201 0.123 -3.808 -3.707 1.00 0.00 H new ATOM 932 N PHE A 202 -0.036 -9.414 -2.380 1.00 0.00 N ATOM 933 CA PHE A 202 0.092 -10.797 -1.845 1.00 0.00 C ATOM 934 C PHE A 202 -1.279 -11.274 -1.357 1.00 0.00 C ATOM 935 O PHE A 202 -1.582 -11.182 -0.185 1.00 0.00 O ATOM 936 CB PHE A 202 1.079 -10.803 -0.674 1.00 0.00 C ATOM 937 CG PHE A 202 2.288 -9.967 -1.016 1.00 0.00 C ATOM 938 CD1 PHE A 202 2.810 -9.990 -2.314 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.893 -9.175 -0.032 1.00 0.00 C ATOM 940 CE1 PHE A 202 3.937 -9.222 -2.630 1.00 0.00 C ATOM 941 CE2 PHE A 202 4.020 -8.406 -0.348 1.00 0.00 C ATOM 942 CZ PHE A 202 4.542 -8.429 -1.647 1.00 0.00 C ATOM 0 H PHE A 202 -0.431 -8.734 -1.730 1.00 0.00 H new ATOM 0 HA PHE A 202 0.457 -11.461 -2.628 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.597 -10.411 0.221 1.00 0.00 H new ATOM 0 HB3 PHE A 202 1.384 -11.825 -0.450 1.00 0.00 H new ATOM 0 HD1 PHE A 202 2.343 -10.601 -3.073 1.00 0.00 H new ATOM 0 HD2 PHE A 202 2.491 -9.157 0.970 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.340 -9.241 -3.632 1.00 0.00 H new ATOM 0 HE2 PHE A 202 4.487 -7.795 0.411 1.00 0.00 H new ATOM 0 HZ PHE A 202 5.411 -7.835 -1.891 1.00 0.00 H new ATOM 952 N PRO A 203 -2.067 -11.767 -2.278 1.00 0.00 N ATOM 953 CA PRO A 203 -3.421 -12.266 -1.978 1.00 0.00 C ATOM 954 C PRO A 203 -3.351 -13.649 -1.324 1.00 0.00 C ATOM 955 O PRO A 203 -2.785 -14.577 -1.867 1.00 0.00 O ATOM 956 CB PRO A 203 -4.088 -12.342 -3.354 1.00 0.00 C ATOM 957 CG PRO A 203 -2.942 -12.430 -4.390 1.00 0.00 C ATOM 958 CD PRO A 203 -1.682 -11.876 -3.699 1.00 0.00 C ATOM 0 HA PRO A 203 -3.967 -11.631 -1.280 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -4.741 -13.212 -3.422 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -4.708 -11.464 -3.534 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -2.787 -13.460 -4.710 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -3.181 -11.851 -5.282 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -0.830 -12.543 -3.831 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -1.396 -10.908 -4.110 1.00 0.00 H new