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 -68:sc= 0.00672 USER MOD Single : A 151 GLN : amide:sc= -2.71! C(o=-2.7!,f=-2.4!) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 ASN :FLIP amide:sc= -0.0179 F(o=-0.82,f=-0.018) USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot -170:sc= -3.41! USER MOD Single : A 186 TYR OH : rot 180:sc= -0.397 USER MOD Single : A 193 MET CE :methyl 167:sc= -2.28 (180deg=-2.9!) USER MOD Single : A 196 SER OG : rot 180:sc= 0 USER MOD Single : A 201 ASN :FLIP amide:sc= -1.87 F(o=-6.7,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.537 -3.425 -6.781 1.00 0.00 N ATOM 41 CA TYR A 146 4.209 -3.706 -6.166 1.00 0.00 C ATOM 42 C TYR A 146 3.239 -2.570 -6.492 1.00 0.00 C ATOM 43 O TYR A 146 3.634 -1.434 -6.667 1.00 0.00 O ATOM 44 CB TYR A 146 4.362 -3.818 -4.649 1.00 0.00 C ATOM 45 CG TYR A 146 5.139 -5.062 -4.306 1.00 0.00 C ATOM 46 CD1 TYR A 146 4.861 -6.266 -4.965 1.00 0.00 C ATOM 47 CD2 TYR A 146 6.130 -5.016 -3.317 1.00 0.00 C ATOM 48 CE1 TYR A 146 5.576 -7.424 -4.635 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.842 -6.174 -2.987 1.00 0.00 C ATOM 50 CZ TYR A 146 6.566 -7.379 -3.646 1.00 0.00 C ATOM 51 OH TYR A 146 7.268 -8.520 -3.319 1.00 0.00 O ATOM 0 HA TYR A 146 3.820 -4.642 -6.566 1.00 0.00 H new ATOM 0 HB2 TYR A 146 4.875 -2.939 -4.260 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.380 -3.849 -4.176 1.00 0.00 H new ATOM 0 HD1 TYR A 146 4.096 -6.301 -5.727 1.00 0.00 H new ATOM 0 HD2 TYR A 146 6.344 -4.087 -2.810 1.00 0.00 H new ATOM 0 HE1 TYR A 146 5.364 -8.353 -5.144 1.00 0.00 H new ATOM 0 HE2 TYR A 146 7.605 -6.139 -2.224 1.00 0.00 H new ATOM 0 HH TYR A 146 6.668 -9.158 -2.880 1.00 0.00 H new ATOM 61 N ARG A 147 1.971 -2.866 -6.573 1.00 0.00 N ATOM 62 CA ARG A 147 0.973 -1.804 -6.886 1.00 0.00 C ATOM 63 C ARG A 147 0.666 -1.000 -5.620 1.00 0.00 C ATOM 64 O ARG A 147 -0.315 -1.239 -4.945 1.00 0.00 O ATOM 65 CB ARG A 147 -0.312 -2.452 -7.404 1.00 0.00 C ATOM 66 CG ARG A 147 -0.166 -2.749 -8.898 1.00 0.00 C ATOM 67 CD ARG A 147 -1.177 -1.914 -9.686 1.00 0.00 C ATOM 68 NE ARG A 147 -0.508 -0.689 -10.207 1.00 0.00 N ATOM 69 CZ ARG A 147 -1.224 0.333 -10.587 1.00 0.00 C ATOM 70 NH1 ARG A 147 -1.851 1.056 -9.699 1.00 0.00 N ATOM 71 NH2 ARG A 147 -1.313 0.633 -11.854 1.00 0.00 N ATOM 0 H ARG A 147 1.582 -3.799 -6.436 1.00 0.00 H new ATOM 0 HA ARG A 147 1.378 -1.138 -7.648 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.514 -3.373 -6.857 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -1.160 -1.789 -7.235 1.00 0.00 H new ATOM 0 HG2 ARG A 147 0.847 -2.519 -9.228 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.329 -3.810 -9.086 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -1.583 -2.499 -10.511 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -2.016 -1.640 -9.046 1.00 0.00 H new ATOM 0 HE ARG A 147 0.509 -0.649 -10.267 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -1.781 0.822 -8.709 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -2.411 1.855 -9.995 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -0.823 0.068 -12.547 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -1.873 1.432 -12.151 1.00 0.00 H new ATOM 85 N GLY A 148 1.496 -0.047 -5.294 1.00 0.00 N ATOM 86 CA GLY A 148 1.247 0.772 -4.073 1.00 0.00 C ATOM 87 C GLY A 148 2.559 0.984 -3.317 1.00 0.00 C ATOM 88 O GLY A 148 2.650 1.812 -2.433 1.00 0.00 O ATOM 0 H GLY A 148 2.335 0.200 -5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 148 0.817 1.734 -4.351 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.522 0.272 -3.430 1.00 0.00 H new ATOM 92 N VAL A 149 3.578 0.244 -3.654 1.00 0.00 N ATOM 93 CA VAL A 149 4.881 0.407 -2.950 1.00 0.00 C ATOM 94 C VAL A 149 5.836 1.213 -3.830 1.00 0.00 C ATOM 95 O VAL A 149 6.146 0.831 -4.941 1.00 0.00 O ATOM 96 CB VAL A 149 5.480 -0.971 -2.669 1.00 0.00 C ATOM 97 CG1 VAL A 149 6.742 -0.821 -1.819 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.460 -1.826 -1.915 1.00 0.00 C ATOM 0 H VAL A 149 3.565 -0.466 -4.386 1.00 0.00 H new ATOM 0 HA VAL A 149 4.726 0.934 -2.008 1.00 0.00 H new ATOM 0 HB VAL A 149 5.735 -1.452 -3.613 1.00 0.00 H new ATOM 0 HG11 VAL A 149 7.166 -1.805 -1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.471 -0.213 -2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.490 -0.338 -0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 149 4.887 -2.809 -1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 149 4.205 -1.342 -0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.560 -1.938 -2.520 1.00 0.00 H new ATOM 108 N ARG A 150 6.302 2.329 -3.344 1.00 0.00 N ATOM 109 CA ARG A 150 7.233 3.162 -4.152 1.00 0.00 C ATOM 110 C ARG A 150 8.660 2.989 -3.631 1.00 0.00 C ATOM 111 O ARG A 150 9.110 3.719 -2.771 1.00 0.00 O ATOM 112 CB ARG A 150 6.826 4.631 -4.041 1.00 0.00 C ATOM 113 CG ARG A 150 6.296 5.115 -5.391 1.00 0.00 C ATOM 114 CD ARG A 150 4.874 5.649 -5.219 1.00 0.00 C ATOM 115 NE ARG A 150 4.920 7.125 -5.021 1.00 0.00 N ATOM 116 CZ ARG A 150 4.221 7.908 -5.794 1.00 0.00 C ATOM 117 NH1 ARG A 150 4.654 8.201 -6.990 1.00 0.00 N ATOM 118 NH2 ARG A 150 3.087 8.397 -5.374 1.00 0.00 N ATOM 0 H ARG A 150 6.078 2.700 -2.421 1.00 0.00 H new ATOM 0 HA ARG A 150 7.188 2.848 -5.195 1.00 0.00 H new ATOM 0 HB2 ARG A 150 6.061 4.751 -3.274 1.00 0.00 H new ATOM 0 HB3 ARG A 150 7.681 5.235 -3.736 1.00 0.00 H new ATOM 0 HG2 ARG A 150 6.944 5.896 -5.789 1.00 0.00 H new ATOM 0 HG3 ARG A 150 6.304 4.297 -6.111 1.00 0.00 H new ATOM 0 HD2 ARG A 150 4.274 5.407 -6.097 1.00 0.00 H new ATOM 0 HD3 ARG A 150 4.395 5.171 -4.364 1.00 0.00 H new ATOM 0 HE ARG A 150 5.498 7.523 -4.281 1.00 0.00 H new ATOM 0 HH11 ARG A 150 5.540 7.817 -7.320 1.00 0.00 H new ATOM 0 HH12 ARG A 150 4.107 8.814 -7.595 1.00 0.00 H new ATOM 0 HH21 ARG A 150 2.747 8.167 -4.440 1.00 0.00 H new ATOM 0 HH22 ARG A 150 2.540 9.010 -5.979 1.00 0.00 H new ATOM 132 N GLN A 151 9.377 2.029 -4.147 1.00 0.00 N ATOM 133 CA GLN A 151 10.776 1.817 -3.680 1.00 0.00 C ATOM 134 C GLN A 151 11.500 3.164 -3.643 1.00 0.00 C ATOM 135 O GLN A 151 11.203 4.060 -4.408 1.00 0.00 O ATOM 136 CB GLN A 151 11.499 0.872 -4.642 1.00 0.00 C ATOM 137 CG GLN A 151 11.754 1.587 -5.971 1.00 0.00 C ATOM 138 CD GLN A 151 10.417 1.888 -6.652 1.00 0.00 C ATOM 139 OE1 GLN A 151 9.955 3.011 -6.639 1.00 0.00 O ATOM 140 NE2 GLN A 151 9.772 0.924 -7.250 1.00 0.00 N ATOM 0 H GLN A 151 9.056 1.384 -4.869 1.00 0.00 H new ATOM 0 HA GLN A 151 10.768 1.377 -2.683 1.00 0.00 H new ATOM 0 HB2 GLN A 151 12.443 0.546 -4.206 1.00 0.00 H new ATOM 0 HB3 GLN A 151 10.899 -0.023 -4.808 1.00 0.00 H new ATOM 0 HG2 GLN A 151 12.303 2.513 -5.799 1.00 0.00 H new ATOM 0 HG3 GLN A 151 12.372 0.965 -6.618 1.00 0.00 H new ATOM 0 HE21 GLN A 151 10.160 -0.019 -7.261 1.00 0.00 H new ATOM 0 HE22 GLN A 151 8.880 1.114 -7.707 1.00 0.00 H new ATOM 149 N ARG A 152 12.445 3.317 -2.758 1.00 0.00 N ATOM 150 CA ARG A 152 13.180 4.610 -2.674 1.00 0.00 C ATOM 151 C ARG A 152 14.640 4.398 -3.087 1.00 0.00 C ATOM 152 O ARG A 152 15.125 3.285 -3.099 1.00 0.00 O ATOM 153 CB ARG A 152 13.125 5.133 -1.237 1.00 0.00 C ATOM 154 CG ARG A 152 11.776 5.812 -0.991 1.00 0.00 C ATOM 155 CD ARG A 152 11.833 7.260 -1.480 1.00 0.00 C ATOM 156 NE ARG A 152 10.576 7.963 -1.100 1.00 0.00 N ATOM 157 CZ ARG A 152 10.019 8.801 -1.932 1.00 0.00 C ATOM 158 NH1 ARG A 152 10.520 9.996 -2.088 1.00 0.00 N ATOM 159 NH2 ARG A 152 8.962 8.446 -2.608 1.00 0.00 N ATOM 0 H ARG A 152 12.740 2.604 -2.090 1.00 0.00 H new ATOM 0 HA ARG A 152 12.718 5.335 -3.343 1.00 0.00 H new ATOM 0 HB2 ARG A 152 13.264 4.311 -0.534 1.00 0.00 H new ATOM 0 HB3 ARG A 152 13.937 5.840 -1.065 1.00 0.00 H new ATOM 0 HG2 ARG A 152 10.986 5.272 -1.513 1.00 0.00 H new ATOM 0 HG3 ARG A 152 11.533 5.786 0.071 1.00 0.00 H new ATOM 0 HD2 ARG A 152 12.693 7.769 -1.044 1.00 0.00 H new ATOM 0 HD3 ARG A 152 11.963 7.285 -2.562 1.00 0.00 H new ATOM 0 HE ARG A 152 10.150 7.790 -0.189 1.00 0.00 H new ATOM 0 HH11 ARG A 152 11.347 10.275 -1.560 1.00 0.00 H new ATOM 0 HH12 ARG A 152 10.085 10.651 -2.738 1.00 0.00 H new ATOM 0 HH21 ARG A 152 8.569 7.512 -2.487 1.00 0.00 H new ATOM 0 HH22 ARG A 152 8.528 9.102 -3.258 1.00 0.00 H new ATOM 173 N PRO A 153 15.297 5.483 -3.415 1.00 0.00 N ATOM 174 CA PRO A 153 16.709 5.461 -3.836 1.00 0.00 C ATOM 175 C PRO A 153 17.631 5.325 -2.621 1.00 0.00 C ATOM 176 O PRO A 153 18.838 5.398 -2.735 1.00 0.00 O ATOM 177 CB PRO A 153 16.901 6.820 -4.513 1.00 0.00 C ATOM 178 CG PRO A 153 15.798 7.748 -3.951 1.00 0.00 C ATOM 179 CD PRO A 153 14.692 6.831 -3.394 1.00 0.00 C ATOM 0 HA PRO A 153 16.946 4.623 -4.491 1.00 0.00 H new ATOM 0 HB2 PRO A 153 17.892 7.222 -4.302 1.00 0.00 H new ATOM 0 HB3 PRO A 153 16.818 6.730 -5.596 1.00 0.00 H new ATOM 0 HG2 PRO A 153 16.197 8.394 -3.168 1.00 0.00 H new ATOM 0 HG3 PRO A 153 15.405 8.399 -4.732 1.00 0.00 H new ATOM 0 HD2 PRO A 153 14.403 7.123 -2.384 1.00 0.00 H new ATOM 0 HD3 PRO A 153 13.792 6.874 -4.008 1.00 0.00 H new ATOM 187 N TRP A 154 17.072 5.129 -1.458 1.00 0.00 N ATOM 188 CA TRP A 154 17.918 4.989 -0.239 1.00 0.00 C ATOM 189 C TRP A 154 17.781 3.570 0.316 1.00 0.00 C ATOM 190 O TRP A 154 18.567 3.135 1.135 1.00 0.00 O ATOM 191 CB TRP A 154 17.463 5.999 0.817 1.00 0.00 C ATOM 192 CG TRP A 154 18.303 7.232 0.721 1.00 0.00 C ATOM 193 CD1 TRP A 154 19.655 7.250 0.688 1.00 0.00 C ATOM 194 CD2 TRP A 154 17.872 8.622 0.644 1.00 0.00 C ATOM 195 NE1 TRP A 154 20.083 8.562 0.598 1.00 0.00 N ATOM 196 CE2 TRP A 154 19.021 9.445 0.567 1.00 0.00 C ATOM 197 CE3 TRP A 154 16.608 9.243 0.635 1.00 0.00 C ATOM 198 CZ2 TRP A 154 18.919 10.835 0.483 1.00 0.00 C ATOM 199 CZ3 TRP A 154 16.502 10.642 0.550 1.00 0.00 C ATOM 200 CH2 TRP A 154 17.656 11.435 0.475 1.00 0.00 C ATOM 0 H TRP A 154 16.067 5.060 -1.299 1.00 0.00 H new ATOM 0 HA TRP A 154 18.960 5.179 -0.495 1.00 0.00 H new ATOM 0 HB2 TRP A 154 16.413 6.249 0.668 1.00 0.00 H new ATOM 0 HB3 TRP A 154 17.549 5.564 1.813 1.00 0.00 H new ATOM 0 HD1 TRP A 154 20.296 6.381 0.726 1.00 0.00 H new ATOM 0 HE1 TRP A 154 21.063 8.843 0.559 1.00 0.00 H new ATOM 0 HE3 TRP A 154 15.714 8.640 0.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 19.810 11.443 0.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 15.528 11.108 0.542 1.00 0.00 H new ATOM 0 HH2 TRP A 154 17.569 12.510 0.411 1.00 0.00 H new ATOM 211 N GLY A 155 16.788 2.845 -0.121 1.00 0.00 N ATOM 212 CA GLY A 155 16.603 1.454 0.381 1.00 0.00 C ATOM 213 C GLY A 155 15.321 1.376 1.212 1.00 0.00 C ATOM 214 O GLY A 155 15.220 0.599 2.141 1.00 0.00 O ATOM 0 H GLY A 155 16.097 3.156 -0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 155 16.549 0.758 -0.456 1.00 0.00 H new ATOM 0 HA3 GLY A 155 17.460 1.158 0.986 1.00 0.00 H new ATOM 218 N LYS A 156 14.341 2.174 0.887 1.00 0.00 N ATOM 219 CA LYS A 156 13.067 2.143 1.661 1.00 0.00 C ATOM 220 C LYS A 156 11.907 1.790 0.728 1.00 0.00 C ATOM 221 O LYS A 156 12.099 1.500 -0.436 1.00 0.00 O ATOM 222 CB LYS A 156 12.816 3.517 2.288 1.00 0.00 C ATOM 223 CG LYS A 156 14.085 3.997 2.994 1.00 0.00 C ATOM 224 CD LYS A 156 14.343 3.132 4.229 1.00 0.00 C ATOM 225 CE LYS A 156 13.224 3.346 5.249 1.00 0.00 C ATOM 226 NZ LYS A 156 13.516 2.559 6.480 1.00 0.00 N ATOM 0 H LYS A 156 14.367 2.846 0.120 1.00 0.00 H new ATOM 0 HA LYS A 156 13.141 1.392 2.447 1.00 0.00 H new ATOM 0 HB2 LYS A 156 12.523 4.231 1.518 1.00 0.00 H new ATOM 0 HB3 LYS A 156 11.992 3.459 2.999 1.00 0.00 H new ATOM 0 HG2 LYS A 156 14.935 3.941 2.314 1.00 0.00 H new ATOM 0 HG3 LYS A 156 13.978 5.042 3.285 1.00 0.00 H new ATOM 0 HD2 LYS A 156 14.394 2.081 3.945 1.00 0.00 H new ATOM 0 HD3 LYS A 156 15.306 3.389 4.671 1.00 0.00 H new ATOM 0 HE2 LYS A 156 13.138 4.405 5.493 1.00 0.00 H new ATOM 0 HE3 LYS A 156 12.268 3.038 4.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 12.755 2.705 7.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 13.577 1.549 6.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 14.420 2.873 6.887 1.00 0.00 H new ATOM 240 N PHE A 157 10.703 1.813 1.231 1.00 0.00 N ATOM 241 CA PHE A 157 9.527 1.481 0.378 1.00 0.00 C ATOM 242 C PHE A 157 8.271 2.100 0.994 1.00 0.00 C ATOM 243 O PHE A 157 7.889 1.777 2.100 1.00 0.00 O ATOM 244 CB PHE A 157 9.368 -0.039 0.304 1.00 0.00 C ATOM 245 CG PHE A 157 10.501 -0.626 -0.504 1.00 0.00 C ATOM 246 CD1 PHE A 157 11.700 -0.987 0.127 1.00 0.00 C ATOM 247 CD2 PHE A 157 10.355 -0.812 -1.884 1.00 0.00 C ATOM 248 CE1 PHE A 157 12.750 -1.533 -0.623 1.00 0.00 C ATOM 249 CE2 PHE A 157 11.405 -1.358 -2.634 1.00 0.00 C ATOM 250 CZ PHE A 157 12.603 -1.719 -2.004 1.00 0.00 C ATOM 0 H PHE A 157 10.483 2.048 2.199 1.00 0.00 H new ATOM 0 HA PHE A 157 9.674 1.878 -0.627 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.365 -0.464 1.308 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.412 -0.293 -0.153 1.00 0.00 H new ATOM 0 HD1 PHE A 157 11.814 -0.844 1.191 1.00 0.00 H new ATOM 0 HD2 PHE A 157 9.432 -0.534 -2.371 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.673 -1.811 -0.136 1.00 0.00 H new ATOM 0 HE2 PHE A 157 11.291 -1.501 -3.698 1.00 0.00 H new ATOM 0 HZ PHE A 157 13.412 -2.140 -2.582 1.00 0.00 H new ATOM 260 N ALA A 158 7.631 2.996 0.294 1.00 0.00 N ATOM 261 CA ALA A 158 6.410 3.639 0.856 1.00 0.00 C ATOM 262 C ALA A 158 5.168 2.835 0.477 1.00 0.00 C ATOM 263 O ALA A 158 4.876 2.628 -0.686 1.00 0.00 O ATOM 264 CB ALA A 158 6.276 5.056 0.300 1.00 0.00 C ATOM 0 H ALA A 158 7.899 3.310 -0.639 1.00 0.00 H new ATOM 0 HA ALA A 158 6.499 3.673 1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.383 5.525 0.712 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.153 5.640 0.577 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.196 5.015 -0.786 1.00 0.00 H new ATOM 270 N ALA A 159 4.421 2.396 1.453 1.00 0.00 N ATOM 271 CA ALA A 159 3.184 1.626 1.158 1.00 0.00 C ATOM 272 C ALA A 159 1.989 2.576 1.245 1.00 0.00 C ATOM 273 O ALA A 159 1.650 3.067 2.305 1.00 0.00 O ATOM 274 CB ALA A 159 3.027 0.498 2.180 1.00 0.00 C ATOM 0 H ALA A 159 4.616 2.539 2.444 1.00 0.00 H new ATOM 0 HA ALA A 159 3.240 1.191 0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 159 2.120 -0.066 1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.889 -0.166 2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.960 0.922 3.182 1.00 0.00 H new ATOM 280 N GLU A 160 1.358 2.853 0.136 1.00 0.00 N ATOM 281 CA GLU A 160 0.196 3.785 0.149 1.00 0.00 C ATOM 282 C GLU A 160 -0.936 3.198 -0.697 1.00 0.00 C ATOM 283 O GLU A 160 -0.704 2.471 -1.641 1.00 0.00 O ATOM 284 CB GLU A 160 0.616 5.138 -0.438 1.00 0.00 C ATOM 285 CG GLU A 160 2.031 5.499 0.028 1.00 0.00 C ATOM 286 CD GLU A 160 2.668 6.453 -0.984 1.00 0.00 C ATOM 287 OE1 GLU A 160 2.361 7.632 -0.933 1.00 0.00 O ATOM 288 OE2 GLU A 160 3.452 5.987 -1.794 1.00 0.00 O ATOM 0 H GLU A 160 1.598 2.473 -0.780 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.145 3.923 1.175 1.00 0.00 H new ATOM 0 HB2 GLU A 160 0.583 5.097 -1.527 1.00 0.00 H new ATOM 0 HB3 GLU A 160 -0.086 5.912 -0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 160 1.994 5.966 1.012 1.00 0.00 H new ATOM 0 HG3 GLU A 160 2.635 4.597 0.126 1.00 0.00 H new ATOM 295 N ILE A 161 -2.161 3.512 -0.370 1.00 0.00 N ATOM 296 CA ILE A 161 -3.304 2.974 -1.161 1.00 0.00 C ATOM 297 C ILE A 161 -4.213 4.127 -1.591 1.00 0.00 C ATOM 298 O ILE A 161 -4.342 5.120 -0.902 1.00 0.00 O ATOM 299 CB ILE A 161 -4.097 1.984 -0.304 1.00 0.00 C ATOM 300 CG1 ILE A 161 -5.205 1.351 -1.149 1.00 0.00 C ATOM 301 CG2 ILE A 161 -4.718 2.724 0.882 1.00 0.00 C ATOM 302 CD1 ILE A 161 -6.075 0.455 -0.265 1.00 0.00 C ATOM 0 H ILE A 161 -2.419 4.117 0.410 1.00 0.00 H new ATOM 0 HA ILE A 161 -2.926 2.462 -2.046 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.431 1.203 0.063 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -5.815 2.129 -1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -4.769 0.767 -1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -5.283 2.021 1.494 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.929 3.175 1.483 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -5.385 3.504 0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -6.864 0.005 -0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.460 -0.331 0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.522 1.052 0.530 1.00 0.00 H new ATOM 314 N ARG A 162 -4.843 4.009 -2.728 1.00 0.00 N ATOM 315 CA ARG A 162 -5.740 5.101 -3.203 1.00 0.00 C ATOM 316 C ARG A 162 -7.093 5.004 -2.494 1.00 0.00 C ATOM 317 O ARG A 162 -7.681 3.946 -2.398 1.00 0.00 O ATOM 318 CB ARG A 162 -5.947 4.968 -4.714 1.00 0.00 C ATOM 319 CG ARG A 162 -6.765 6.154 -5.225 1.00 0.00 C ATOM 320 CD ARG A 162 -5.827 7.193 -5.842 1.00 0.00 C ATOM 321 NE ARG A 162 -6.230 7.452 -7.253 1.00 0.00 N ATOM 322 CZ ARG A 162 -5.701 8.446 -7.912 1.00 0.00 C ATOM 323 NH1 ARG A 162 -4.564 8.953 -7.524 1.00 0.00 N ATOM 324 NH2 ARG A 162 -6.310 8.933 -8.958 1.00 0.00 N ATOM 0 H ARG A 162 -4.775 3.203 -3.349 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.284 6.065 -2.979 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -4.983 4.932 -5.222 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -6.461 4.034 -4.940 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -7.490 5.817 -5.966 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -7.330 6.599 -4.406 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -5.863 8.118 -5.267 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -4.798 6.836 -5.806 1.00 0.00 H new ATOM 0 HE ARG A 162 -6.920 6.852 -7.704 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -4.089 8.572 -6.706 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -4.150 9.730 -8.039 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -7.200 8.537 -9.261 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -5.896 9.710 -9.473 1.00 0.00 H new ATOM 338 N ASP A 163 -7.592 6.103 -1.997 1.00 0.00 N ATOM 339 CA ASP A 163 -8.907 6.076 -1.297 1.00 0.00 C ATOM 340 C ASP A 163 -9.836 7.124 -1.917 1.00 0.00 C ATOM 341 O ASP A 163 -9.802 8.279 -1.540 1.00 0.00 O ATOM 342 CB ASP A 163 -8.702 6.393 0.185 1.00 0.00 C ATOM 343 CG ASP A 163 -10.009 6.150 0.944 1.00 0.00 C ATOM 344 OD1 ASP A 163 -11.059 6.330 0.348 1.00 0.00 O ATOM 345 OD2 ASP A 163 -9.937 5.788 2.106 1.00 0.00 O ATOM 0 H ASP A 163 -7.145 7.019 -2.046 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.353 5.087 -1.400 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.909 5.768 0.595 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.386 7.429 0.306 1.00 0.00 H new ATOM 350 N PRO A 164 -10.640 6.689 -2.855 1.00 0.00 N ATOM 351 CA PRO A 164 -11.593 7.567 -3.555 1.00 0.00 C ATOM 352 C PRO A 164 -12.821 7.837 -2.678 1.00 0.00 C ATOM 353 O PRO A 164 -13.496 8.837 -2.830 1.00 0.00 O ATOM 354 CB PRO A 164 -11.977 6.761 -4.799 1.00 0.00 C ATOM 355 CG PRO A 164 -11.681 5.279 -4.468 1.00 0.00 C ATOM 356 CD PRO A 164 -10.671 5.281 -3.304 1.00 0.00 C ATOM 0 HA PRO A 164 -11.175 8.544 -3.798 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -13.030 6.902 -5.043 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -11.403 7.088 -5.666 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -12.595 4.755 -4.187 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -11.271 4.763 -5.336 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -10.986 4.614 -2.502 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -9.687 4.945 -3.630 1.00 0.00 H new ATOM 364 N ALA A 165 -13.117 6.953 -1.765 1.00 0.00 N ATOM 365 CA ALA A 165 -14.300 7.157 -0.887 1.00 0.00 C ATOM 366 C ALA A 165 -14.022 8.291 0.103 1.00 0.00 C ATOM 367 O ALA A 165 -14.912 8.774 0.774 1.00 0.00 O ATOM 368 CB ALA A 165 -14.590 5.868 -0.115 1.00 0.00 C ATOM 0 H ALA A 165 -12.589 6.098 -1.590 1.00 0.00 H new ATOM 0 HA ALA A 165 -15.162 7.418 -1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -15.457 6.017 0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -14.795 5.061 -0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -13.725 5.607 0.495 1.00 0.00 H new ATOM 374 N LYS A 166 -12.792 8.718 0.203 1.00 0.00 N ATOM 375 CA LYS A 166 -12.460 9.818 1.154 1.00 0.00 C ATOM 376 C LYS A 166 -12.351 11.143 0.395 1.00 0.00 C ATOM 377 O LYS A 166 -11.346 11.823 0.459 1.00 0.00 O ATOM 378 CB LYS A 166 -11.127 9.512 1.840 1.00 0.00 C ATOM 379 CG LYS A 166 -11.354 8.510 2.975 1.00 0.00 C ATOM 380 CD LYS A 166 -10.067 8.362 3.789 1.00 0.00 C ATOM 381 CE LYS A 166 -10.375 7.642 5.104 1.00 0.00 C ATOM 382 NZ LYS A 166 -9.176 6.871 5.540 1.00 0.00 N ATOM 0 H LYS A 166 -12.004 8.353 -0.332 1.00 0.00 H new ATOM 0 HA LYS A 166 -13.248 9.897 1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -10.419 9.105 1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -10.689 10.430 2.233 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -12.166 8.850 3.617 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -11.652 7.544 2.568 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -9.326 7.801 3.219 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -9.637 9.343 3.991 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -10.654 8.365 5.870 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -11.224 6.971 4.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -9.384 6.381 6.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -8.929 6.171 4.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -8.377 7.522 5.680 1.00 0.00 H new ATOM 396 N ASN A 167 -13.375 11.517 -0.322 1.00 0.00 N ATOM 397 CA ASN A 167 -13.325 12.800 -1.080 1.00 0.00 C ATOM 398 C ASN A 167 -12.115 12.796 -2.016 1.00 0.00 C ATOM 399 O ASN A 167 -11.537 13.826 -2.302 1.00 0.00 O ATOM 400 CB ASN A 167 -13.204 13.966 -0.097 1.00 0.00 C ATOM 401 CG ASN A 167 -14.255 13.818 1.004 1.00 0.00 C ATOM 402 OD1 ASN A 167 -13.967 13.131 2.075 1.00 0.00 O flip ATOM 403 ND2 ASN A 167 -15.350 14.334 0.889 1.00 0.00 N flip ATOM 0 H ASN A 167 -14.244 10.990 -0.416 1.00 0.00 H new ATOM 0 HA ASN A 167 -14.237 12.910 -1.667 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -12.205 13.985 0.339 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -13.341 14.912 -0.620 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -15.575 14.871 0.052 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -16.043 14.230 1.630 1.00 0.00 H new ATOM 410 N GLY A 168 -11.727 11.647 -2.498 1.00 0.00 N ATOM 411 CA GLY A 168 -10.555 11.582 -3.416 1.00 0.00 C ATOM 412 C GLY A 168 -9.294 12.020 -2.670 1.00 0.00 C ATOM 413 O GLY A 168 -8.720 13.053 -2.953 1.00 0.00 O ATOM 0 H GLY A 168 -12.171 10.751 -2.296 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -10.432 10.567 -3.794 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -10.721 12.226 -4.280 1.00 0.00 H new ATOM 417 N ALA A 169 -8.856 11.241 -1.719 1.00 0.00 N ATOM 418 CA ALA A 169 -7.631 11.612 -0.956 1.00 0.00 C ATOM 419 C ALA A 169 -6.617 10.467 -1.035 1.00 0.00 C ATOM 420 O ALA A 169 -6.862 9.449 -1.652 1.00 0.00 O ATOM 421 CB ALA A 169 -7.999 11.867 0.507 1.00 0.00 C ATOM 0 H ALA A 169 -9.294 10.364 -1.438 1.00 0.00 H new ATOM 0 HA ALA A 169 -7.195 12.515 -1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -7.103 12.138 1.066 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -8.722 12.680 0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -8.434 10.964 0.935 1.00 0.00 H new ATOM 427 N ARG A 170 -5.478 10.625 -0.417 1.00 0.00 N ATOM 428 CA ARG A 170 -4.452 9.545 -0.461 1.00 0.00 C ATOM 429 C ARG A 170 -4.306 8.921 0.929 1.00 0.00 C ATOM 430 O ARG A 170 -4.604 9.538 1.932 1.00 0.00 O ATOM 431 CB ARG A 170 -3.108 10.134 -0.896 1.00 0.00 C ATOM 432 CG ARG A 170 -3.188 10.574 -2.359 1.00 0.00 C ATOM 433 CD ARG A 170 -2.219 11.733 -2.595 1.00 0.00 C ATOM 434 NE ARG A 170 -0.818 11.233 -2.518 1.00 0.00 N ATOM 435 CZ ARG A 170 0.037 11.807 -1.716 1.00 0.00 C ATOM 436 NH1 ARG A 170 0.378 13.053 -1.911 1.00 0.00 N ATOM 437 NH2 ARG A 170 0.551 11.137 -0.721 1.00 0.00 N ATOM 0 H ARG A 170 -5.214 11.454 0.116 1.00 0.00 H new ATOM 0 HA ARG A 170 -4.763 8.780 -1.173 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -2.851 10.984 -0.264 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -2.318 9.393 -0.771 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -2.941 9.739 -3.015 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -4.205 10.881 -2.603 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -2.403 12.182 -3.571 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -2.380 12.513 -1.850 1.00 0.00 H new ATOM 0 HE ARG A 170 -0.527 10.442 -3.092 1.00 0.00 H new ATOM 0 HH11 ARG A 170 -0.024 13.576 -2.689 1.00 0.00 H new ATOM 0 HH12 ARG A 170 1.046 13.503 -1.285 1.00 0.00 H new ATOM 0 HH21 ARG A 170 0.285 10.164 -0.570 1.00 0.00 H new ATOM 0 HH22 ARG A 170 1.219 11.586 -0.095 1.00 0.00 H new ATOM 451 N VAL A 171 -3.844 7.702 0.995 1.00 0.00 N ATOM 452 CA VAL A 171 -3.675 7.038 2.318 1.00 0.00 C ATOM 453 C VAL A 171 -2.259 6.463 2.418 1.00 0.00 C ATOM 454 O VAL A 171 -2.015 5.322 2.080 1.00 0.00 O ATOM 455 CB VAL A 171 -4.704 5.913 2.460 1.00 0.00 C ATOM 456 CG1 VAL A 171 -4.310 4.994 3.619 1.00 0.00 C ATOM 457 CG2 VAL A 171 -6.081 6.520 2.742 1.00 0.00 C ATOM 0 H VAL A 171 -3.576 7.137 0.189 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.827 7.765 3.116 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.737 5.335 1.536 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -5.045 4.195 3.716 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -3.329 4.562 3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -4.275 5.569 4.544 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.816 5.722 2.844 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -6.042 7.097 3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -6.366 7.173 1.918 1.00 0.00 H new ATOM 467 N TRP A 172 -1.326 7.250 2.880 1.00 0.00 N ATOM 468 CA TRP A 172 0.075 6.760 3.005 1.00 0.00 C ATOM 469 C TRP A 172 0.209 5.911 4.272 1.00 0.00 C ATOM 470 O TRP A 172 0.294 6.427 5.369 1.00 0.00 O ATOM 471 CB TRP A 172 1.016 7.966 3.088 1.00 0.00 C ATOM 472 CG TRP A 172 2.434 7.507 3.206 1.00 0.00 C ATOM 473 CD1 TRP A 172 2.928 6.753 4.214 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.551 7.766 2.306 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.275 6.537 3.992 1.00 0.00 N ATOM 476 CE2 TRP A 172 4.705 7.137 2.831 1.00 0.00 C ATOM 477 CE3 TRP A 172 3.672 8.477 1.099 1.00 0.00 C ATOM 478 CZ2 TRP A 172 5.938 7.212 2.180 1.00 0.00 C ATOM 479 CZ3 TRP A 172 4.910 8.554 0.440 1.00 0.00 C ATOM 480 CH2 TRP A 172 6.041 7.922 0.980 1.00 0.00 C ATOM 0 H TRP A 172 -1.475 8.214 3.177 1.00 0.00 H new ATOM 0 HA TRP A 172 0.334 6.151 2.139 1.00 0.00 H new ATOM 0 HB2 TRP A 172 0.900 8.589 2.201 1.00 0.00 H new ATOM 0 HB3 TRP A 172 0.753 8.583 3.947 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.362 6.380 5.055 1.00 0.00 H new ATOM 0 HE1 TRP A 172 4.878 5.998 4.614 1.00 0.00 H new ATOM 0 HE3 TRP A 172 2.808 8.967 0.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 6.806 6.725 2.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 4.992 9.102 -0.487 1.00 0.00 H new ATOM 0 HH2 TRP A 172 6.990 7.984 0.469 1.00 0.00 H new ATOM 491 N LEU A 173 0.228 4.612 4.129 1.00 0.00 N ATOM 492 CA LEU A 173 0.358 3.733 5.327 1.00 0.00 C ATOM 493 C LEU A 173 1.628 4.102 6.089 1.00 0.00 C ATOM 494 O LEU A 173 1.593 4.405 7.264 1.00 0.00 O ATOM 495 CB LEU A 173 0.440 2.270 4.885 1.00 0.00 C ATOM 496 CG LEU A 173 -0.898 1.843 4.283 1.00 0.00 C ATOM 497 CD1 LEU A 173 -0.654 0.800 3.190 1.00 0.00 C ATOM 498 CD2 LEU A 173 -1.778 1.237 5.379 1.00 0.00 C ATOM 0 H LEU A 173 0.159 4.123 3.236 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.510 3.869 5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 173 1.237 2.145 4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 173 0.687 1.635 5.736 1.00 0.00 H new ATOM 0 HG LEU A 173 -1.398 2.711 3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -1.608 0.494 2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -0.025 1.230 2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -0.155 -0.068 3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -2.733 0.932 4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -1.278 0.368 5.808 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -1.950 1.979 6.159 1.00 0.00 H new ATOM 510 N GLY A 174 2.751 4.080 5.428 1.00 0.00 N ATOM 511 CA GLY A 174 4.023 4.432 6.118 1.00 0.00 C ATOM 512 C GLY A 174 5.204 3.861 5.335 1.00 0.00 C ATOM 513 O GLY A 174 5.079 2.876 4.635 1.00 0.00 O ATOM 0 H GLY A 174 2.843 3.834 4.442 1.00 0.00 H new ATOM 0 HA2 GLY A 174 4.117 5.515 6.200 1.00 0.00 H new ATOM 0 HA3 GLY A 174 4.020 4.035 7.133 1.00 0.00 H new ATOM 517 N THR A 175 6.351 4.471 5.446 1.00 0.00 N ATOM 518 CA THR A 175 7.536 3.957 4.707 1.00 0.00 C ATOM 519 C THR A 175 7.913 2.584 5.264 1.00 0.00 C ATOM 520 O THR A 175 7.447 2.180 6.310 1.00 0.00 O ATOM 521 CB THR A 175 8.710 4.925 4.883 1.00 0.00 C ATOM 522 OG1 THR A 175 9.394 4.623 6.090 1.00 0.00 O ATOM 523 CG2 THR A 175 8.188 6.362 4.936 1.00 0.00 C ATOM 0 H THR A 175 6.518 5.301 6.015 1.00 0.00 H new ATOM 0 HA THR A 175 7.300 3.871 3.646 1.00 0.00 H new ATOM 0 HB THR A 175 9.395 4.821 4.041 1.00 0.00 H new ATOM 0 HG1 THR A 175 10.146 5.241 6.203 1.00 0.00 H new ATOM 0 HG21 THR A 175 9.025 7.049 5.061 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.664 6.593 4.008 1.00 0.00 H new ATOM 0 HG23 THR A 175 7.502 6.469 5.776 1.00 0.00 H new ATOM 531 N PHE A 176 8.752 1.862 4.576 1.00 0.00 N ATOM 532 CA PHE A 176 9.153 0.516 5.073 1.00 0.00 C ATOM 533 C PHE A 176 10.637 0.292 4.790 1.00 0.00 C ATOM 534 O PHE A 176 11.320 1.157 4.279 1.00 0.00 O ATOM 535 CB PHE A 176 8.332 -0.560 4.362 1.00 0.00 C ATOM 536 CG PHE A 176 6.924 -0.546 4.902 1.00 0.00 C ATOM 537 CD1 PHE A 176 5.977 0.349 4.383 1.00 0.00 C ATOM 538 CD2 PHE A 176 6.566 -1.426 5.930 1.00 0.00 C ATOM 539 CE1 PHE A 176 4.671 0.359 4.896 1.00 0.00 C ATOM 540 CE2 PHE A 176 5.264 -1.415 6.440 1.00 0.00 C ATOM 541 CZ PHE A 176 4.315 -0.523 5.924 1.00 0.00 C ATOM 0 H PHE A 176 9.177 2.144 3.693 1.00 0.00 H new ATOM 0 HA PHE A 176 8.972 0.458 6.146 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.324 -0.378 3.287 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.784 -1.540 4.516 1.00 0.00 H new ATOM 0 HD1 PHE A 176 6.252 1.029 3.590 1.00 0.00 H new ATOM 0 HD2 PHE A 176 7.296 -2.114 6.330 1.00 0.00 H new ATOM 0 HE1 PHE A 176 3.940 1.047 4.498 1.00 0.00 H new ATOM 0 HE2 PHE A 176 4.990 -2.095 7.233 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.310 -0.515 6.319 1.00 0.00 H new ATOM 551 N GLU A 177 11.141 -0.864 5.115 1.00 0.00 N ATOM 552 CA GLU A 177 12.580 -1.142 4.862 1.00 0.00 C ATOM 553 C GLU A 177 12.726 -1.880 3.530 1.00 0.00 C ATOM 554 O GLU A 177 13.721 -1.751 2.844 1.00 0.00 O ATOM 555 CB GLU A 177 13.139 -2.012 5.991 1.00 0.00 C ATOM 556 CG GLU A 177 14.582 -2.402 5.665 1.00 0.00 C ATOM 557 CD GLU A 177 15.332 -2.714 6.961 1.00 0.00 C ATOM 558 OE1 GLU A 177 14.717 -3.262 7.861 1.00 0.00 O ATOM 559 OE2 GLU A 177 16.509 -2.400 7.030 1.00 0.00 O ATOM 0 H GLU A 177 10.619 -1.628 5.545 1.00 0.00 H new ATOM 0 HA GLU A 177 13.131 -0.203 4.822 1.00 0.00 H new ATOM 0 HB2 GLU A 177 13.102 -1.469 6.936 1.00 0.00 H new ATOM 0 HB3 GLU A 177 12.528 -2.906 6.113 1.00 0.00 H new ATOM 0 HG2 GLU A 177 14.595 -3.271 5.007 1.00 0.00 H new ATOM 0 HG3 GLU A 177 15.078 -1.591 5.132 1.00 0.00 H new ATOM 566 N THR A 178 11.742 -2.654 3.155 1.00 0.00 N ATOM 567 CA THR A 178 11.829 -3.398 1.865 1.00 0.00 C ATOM 568 C THR A 178 10.489 -3.302 1.136 1.00 0.00 C ATOM 569 O THR A 178 9.490 -2.908 1.704 1.00 0.00 O ATOM 570 CB THR A 178 12.146 -4.879 2.117 1.00 0.00 C ATOM 571 OG1 THR A 178 10.945 -5.565 2.440 1.00 0.00 O ATOM 572 CG2 THR A 178 13.145 -5.031 3.269 1.00 0.00 C ATOM 0 H THR A 178 10.883 -2.803 3.685 1.00 0.00 H new ATOM 0 HA THR A 178 12.624 -2.958 1.263 1.00 0.00 H new ATOM 0 HB THR A 178 12.589 -5.302 1.215 1.00 0.00 H new ATOM 0 HG1 THR A 178 11.159 -6.468 2.755 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.356 -6.088 3.431 1.00 0.00 H new ATOM 0 HG22 THR A 178 14.070 -4.511 3.020 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.721 -4.602 4.177 1.00 0.00 H new ATOM 580 N ALA A 179 10.457 -3.669 -0.114 1.00 0.00 N ATOM 581 CA ALA A 179 9.179 -3.608 -0.869 1.00 0.00 C ATOM 582 C ALA A 179 8.251 -4.711 -0.362 1.00 0.00 C ATOM 583 O ALA A 179 7.048 -4.602 -0.439 1.00 0.00 O ATOM 584 CB ALA A 179 9.451 -3.813 -2.360 1.00 0.00 C ATOM 0 H ALA A 179 11.260 -4.008 -0.644 1.00 0.00 H new ATOM 0 HA ALA A 179 8.711 -2.634 -0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 179 8.512 -3.768 -2.911 1.00 0.00 H new ATOM 0 HB2 ALA A 179 10.120 -3.031 -2.719 1.00 0.00 H new ATOM 0 HB3 ALA A 179 9.916 -4.787 -2.515 1.00 0.00 H new ATOM 590 N GLU A 180 8.805 -5.771 0.163 1.00 0.00 N ATOM 591 CA GLU A 180 7.954 -6.879 0.681 1.00 0.00 C ATOM 592 C GLU A 180 7.272 -6.430 1.973 1.00 0.00 C ATOM 593 O GLU A 180 6.144 -6.789 2.246 1.00 0.00 O ATOM 594 CB GLU A 180 8.826 -8.104 0.959 1.00 0.00 C ATOM 595 CG GLU A 180 7.941 -9.343 1.103 1.00 0.00 C ATOM 596 CD GLU A 180 8.225 -10.020 2.446 1.00 0.00 C ATOM 597 OE1 GLU A 180 9.159 -10.803 2.506 1.00 0.00 O ATOM 598 OE2 GLU A 180 7.504 -9.743 3.391 1.00 0.00 O ATOM 0 H GLU A 180 9.810 -5.917 0.255 1.00 0.00 H new ATOM 0 HA GLU A 180 7.197 -7.136 -0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.539 -8.247 0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 180 9.406 -7.951 1.869 1.00 0.00 H new ATOM 0 HG2 GLU A 180 6.890 -9.061 1.041 1.00 0.00 H new ATOM 0 HG3 GLU A 180 8.134 -10.038 0.286 1.00 0.00 H new ATOM 605 N ASP A 181 7.943 -5.644 2.768 1.00 0.00 N ATOM 606 CA ASP A 181 7.330 -5.166 4.036 1.00 0.00 C ATOM 607 C ASP A 181 6.284 -4.099 3.714 1.00 0.00 C ATOM 608 O ASP A 181 5.197 -4.095 4.257 1.00 0.00 O ATOM 609 CB ASP A 181 8.412 -4.567 4.934 1.00 0.00 C ATOM 610 CG ASP A 181 9.739 -5.291 4.694 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.712 -6.502 4.553 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.757 -4.621 4.658 1.00 0.00 O ATOM 0 H ASP A 181 8.891 -5.312 2.593 1.00 0.00 H new ATOM 0 HA ASP A 181 6.857 -6.001 4.553 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.524 -3.503 4.725 1.00 0.00 H new ATOM 0 HB3 ASP A 181 8.121 -4.657 5.981 1.00 0.00 H new ATOM 617 N ALA A 182 6.602 -3.196 2.825 1.00 0.00 N ATOM 618 CA ALA A 182 5.624 -2.134 2.460 1.00 0.00 C ATOM 619 C ALA A 182 4.493 -2.761 1.643 1.00 0.00 C ATOM 620 O ALA A 182 3.393 -2.249 1.589 1.00 0.00 O ATOM 621 CB ALA A 182 6.325 -1.060 1.625 1.00 0.00 C ATOM 0 H ALA A 182 7.496 -3.149 2.337 1.00 0.00 H new ATOM 0 HA ALA A 182 5.218 -1.678 3.363 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.609 -0.282 1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 182 7.138 -0.622 2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 182 6.728 -1.510 0.718 1.00 0.00 H new ATOM 627 N ALA A 183 4.759 -3.872 1.011 1.00 0.00 N ATOM 628 CA ALA A 183 3.706 -4.543 0.201 1.00 0.00 C ATOM 629 C ALA A 183 2.740 -5.262 1.143 1.00 0.00 C ATOM 630 O ALA A 183 1.538 -5.211 0.975 1.00 0.00 O ATOM 631 CB ALA A 183 4.357 -5.557 -0.739 1.00 0.00 C ATOM 0 H ALA A 183 5.663 -4.344 1.022 1.00 0.00 H new ATOM 0 HA ALA A 183 3.163 -3.804 -0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.587 -6.049 -1.333 1.00 0.00 H new ATOM 0 HB2 ALA A 183 5.054 -5.044 -1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.895 -6.302 -0.154 1.00 0.00 H new ATOM 637 N LEU A 184 3.264 -5.923 2.141 1.00 0.00 N ATOM 638 CA LEU A 184 2.388 -6.638 3.109 1.00 0.00 C ATOM 639 C LEU A 184 1.510 -5.618 3.832 1.00 0.00 C ATOM 640 O LEU A 184 0.345 -5.852 4.091 1.00 0.00 O ATOM 641 CB LEU A 184 3.256 -7.382 4.122 1.00 0.00 C ATOM 642 CG LEU A 184 2.490 -8.592 4.656 1.00 0.00 C ATOM 643 CD1 LEU A 184 1.187 -8.128 5.307 1.00 0.00 C ATOM 644 CD2 LEU A 184 2.173 -9.545 3.501 1.00 0.00 C ATOM 0 H LEU A 184 4.264 -5.998 2.326 1.00 0.00 H new ATOM 0 HA LEU A 184 1.757 -7.354 2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 184 4.186 -7.704 3.653 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.526 -6.718 4.943 1.00 0.00 H new ATOM 0 HG LEU A 184 3.100 -9.108 5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 184 0.642 -8.992 5.687 1.00 0.00 H new ATOM 0 HD12 LEU A 184 1.413 -7.450 6.130 1.00 0.00 H new ATOM 0 HD13 LEU A 184 0.576 -7.610 4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 184 1.627 -10.408 3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 184 1.564 -9.028 2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 184 3.102 -9.878 3.039 1.00 0.00 H new ATOM 656 N ALA A 185 2.063 -4.480 4.153 1.00 0.00 N ATOM 657 CA ALA A 185 1.268 -3.434 4.850 1.00 0.00 C ATOM 658 C ALA A 185 0.201 -2.901 3.894 1.00 0.00 C ATOM 659 O ALA A 185 -0.918 -2.633 4.281 1.00 0.00 O ATOM 660 CB ALA A 185 2.188 -2.290 5.278 1.00 0.00 C ATOM 0 H ALA A 185 3.033 -4.231 3.961 1.00 0.00 H new ATOM 0 HA ALA A 185 0.793 -3.861 5.733 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.603 -1.525 5.789 1.00 0.00 H new ATOM 0 HB2 ALA A 185 2.954 -2.672 5.953 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.663 -1.857 4.398 1.00 0.00 H new ATOM 666 N TYR A 186 0.540 -2.752 2.642 1.00 0.00 N ATOM 667 CA TYR A 186 -0.452 -2.244 1.656 1.00 0.00 C ATOM 668 C TYR A 186 -1.638 -3.206 1.598 1.00 0.00 C ATOM 669 O TYR A 186 -2.778 -2.799 1.496 1.00 0.00 O ATOM 670 CB TYR A 186 0.198 -2.163 0.275 1.00 0.00 C ATOM 671 CG TYR A 186 -0.834 -1.744 -0.743 1.00 0.00 C ATOM 672 CD1 TYR A 186 -1.809 -2.656 -1.166 1.00 0.00 C ATOM 673 CD2 TYR A 186 -0.818 -0.443 -1.264 1.00 0.00 C ATOM 674 CE1 TYR A 186 -2.769 -2.269 -2.110 1.00 0.00 C ATOM 675 CE2 TYR A 186 -1.777 -0.056 -2.208 1.00 0.00 C ATOM 676 CZ TYR A 186 -2.753 -0.969 -2.631 1.00 0.00 C ATOM 677 OH TYR A 186 -3.698 -0.585 -3.562 1.00 0.00 O ATOM 0 H TYR A 186 1.463 -2.961 2.261 1.00 0.00 H new ATOM 0 HA TYR A 186 -0.793 -1.253 1.957 1.00 0.00 H new ATOM 0 HB2 TYR A 186 1.021 -1.448 0.290 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.621 -3.130 0.003 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -1.821 -3.658 -0.764 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.066 0.261 -0.938 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -3.521 -2.973 -2.436 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -1.765 0.946 -2.610 1.00 0.00 H new ATOM 0 HH TYR A 186 -3.544 0.348 -3.818 1.00 0.00 H new ATOM 687 N ASP A 187 -1.375 -4.483 1.662 1.00 0.00 N ATOM 688 CA ASP A 187 -2.478 -5.479 1.612 1.00 0.00 C ATOM 689 C ASP A 187 -3.474 -5.198 2.739 1.00 0.00 C ATOM 690 O ASP A 187 -4.673 -5.234 2.548 1.00 0.00 O ATOM 691 CB ASP A 187 -1.895 -6.881 1.793 1.00 0.00 C ATOM 692 CG ASP A 187 -1.383 -7.410 0.452 1.00 0.00 C ATOM 693 OD1 ASP A 187 -0.730 -6.658 -0.253 1.00 0.00 O ATOM 694 OD2 ASP A 187 -1.651 -8.562 0.152 1.00 0.00 O ATOM 0 H ASP A 187 -0.439 -4.879 1.747 1.00 0.00 H new ATOM 0 HA ASP A 187 -2.988 -5.410 0.651 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.081 -6.855 2.518 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -2.656 -7.552 2.192 1.00 0.00 H new ATOM 699 N ARG A 188 -2.983 -4.929 3.915 1.00 0.00 N ATOM 700 CA ARG A 188 -3.895 -4.657 5.063 1.00 0.00 C ATOM 701 C ARG A 188 -4.781 -3.448 4.759 1.00 0.00 C ATOM 702 O ARG A 188 -5.982 -3.486 4.936 1.00 0.00 O ATOM 703 CB ARG A 188 -3.066 -4.377 6.319 1.00 0.00 C ATOM 704 CG ARG A 188 -3.507 -5.323 7.439 1.00 0.00 C ATOM 705 CD ARG A 188 -4.485 -4.596 8.363 1.00 0.00 C ATOM 706 NE ARG A 188 -4.313 -5.093 9.758 1.00 0.00 N ATOM 707 CZ ARG A 188 -5.351 -5.475 10.447 1.00 0.00 C ATOM 708 NH1 ARG A 188 -6.327 -4.641 10.675 1.00 0.00 N ATOM 709 NH2 ARG A 188 -5.413 -6.695 10.909 1.00 0.00 N ATOM 0 H ARG A 188 -1.988 -4.885 4.133 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.528 -5.529 5.226 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -2.006 -4.516 6.107 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -3.196 -3.341 6.631 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -3.980 -6.209 7.016 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -2.640 -5.664 8.005 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -4.308 -3.521 8.324 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -5.509 -4.763 8.030 1.00 0.00 H new ATOM 0 HE ARG A 188 -3.382 -5.134 10.173 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -6.279 -3.688 10.314 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -7.139 -4.941 11.214 1.00 0.00 H new ATOM 0 HH21 ARG A 188 -4.650 -7.347 10.730 1.00 0.00 H new ATOM 0 HH22 ARG A 188 -6.225 -6.995 11.448 1.00 0.00 H new ATOM 723 N ALA A 189 -4.199 -2.372 4.310 1.00 0.00 N ATOM 724 CA ALA A 189 -5.011 -1.158 4.004 1.00 0.00 C ATOM 725 C ALA A 189 -5.822 -1.384 2.727 1.00 0.00 C ATOM 726 O ALA A 189 -6.753 -0.659 2.438 1.00 0.00 O ATOM 727 CB ALA A 189 -4.084 0.043 3.813 1.00 0.00 C ATOM 0 H ALA A 189 -3.197 -2.279 4.141 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.692 -0.965 4.833 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.678 0.929 3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -3.512 0.210 4.726 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.400 -0.153 2.987 1.00 0.00 H new ATOM 733 N ALA A 190 -5.481 -2.382 1.961 1.00 0.00 N ATOM 734 CA ALA A 190 -6.239 -2.648 0.707 1.00 0.00 C ATOM 735 C ALA A 190 -7.370 -3.630 1.004 1.00 0.00 C ATOM 736 O ALA A 190 -8.311 -3.756 0.247 1.00 0.00 O ATOM 737 CB ALA A 190 -5.302 -3.247 -0.343 1.00 0.00 C ATOM 0 H ALA A 190 -4.711 -3.024 2.149 1.00 0.00 H new ATOM 0 HA ALA A 190 -6.654 -1.715 0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -5.859 -3.441 -1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -4.493 -2.546 -0.551 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -4.885 -4.181 0.032 1.00 0.00 H new ATOM 743 N PHE A 191 -7.290 -4.320 2.109 1.00 0.00 N ATOM 744 CA PHE A 191 -8.368 -5.286 2.460 1.00 0.00 C ATOM 745 C PHE A 191 -9.377 -4.587 3.371 1.00 0.00 C ATOM 746 O PHE A 191 -10.556 -4.876 3.347 1.00 0.00 O ATOM 747 CB PHE A 191 -7.761 -6.489 3.186 1.00 0.00 C ATOM 748 CG PHE A 191 -8.560 -7.728 2.866 1.00 0.00 C ATOM 749 CD1 PHE A 191 -9.736 -8.007 3.577 1.00 0.00 C ATOM 750 CD2 PHE A 191 -8.126 -8.601 1.859 1.00 0.00 C ATOM 751 CE1 PHE A 191 -10.476 -9.158 3.280 1.00 0.00 C ATOM 752 CE2 PHE A 191 -8.867 -9.752 1.563 1.00 0.00 C ATOM 753 CZ PHE A 191 -10.042 -10.032 2.273 1.00 0.00 C ATOM 0 H PHE A 191 -6.526 -4.256 2.782 1.00 0.00 H new ATOM 0 HA PHE A 191 -8.867 -5.633 1.555 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -6.723 -6.625 2.882 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -7.758 -6.314 4.262 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -10.071 -7.335 4.353 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -7.220 -8.386 1.311 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -11.382 -9.373 3.827 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -8.532 -10.424 0.787 1.00 0.00 H new ATOM 0 HZ PHE A 191 -10.613 -10.920 2.045 1.00 0.00 H new ATOM 763 N ARG A 192 -8.920 -3.657 4.163 1.00 0.00 N ATOM 764 CA ARG A 192 -9.848 -2.924 5.066 1.00 0.00 C ATOM 765 C ARG A 192 -10.631 -1.907 4.240 1.00 0.00 C ATOM 766 O ARG A 192 -11.836 -1.789 4.350 1.00 0.00 O ATOM 767 CB ARG A 192 -9.041 -2.190 6.137 1.00 0.00 C ATOM 768 CG ARG A 192 -9.002 -3.027 7.416 1.00 0.00 C ATOM 769 CD ARG A 192 -10.138 -2.595 8.346 1.00 0.00 C ATOM 770 NE ARG A 192 -11.024 -3.761 8.623 1.00 0.00 N ATOM 771 CZ ARG A 192 -12.311 -3.587 8.752 1.00 0.00 C ATOM 772 NH1 ARG A 192 -12.767 -2.736 9.630 1.00 0.00 N ATOM 773 NH2 ARG A 192 -13.139 -4.262 8.003 1.00 0.00 N ATOM 0 H ARG A 192 -7.942 -3.373 4.223 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.532 -3.624 5.545 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -8.028 -2.006 5.780 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -9.489 -1.217 6.341 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -9.099 -4.085 7.173 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -8.041 -2.902 7.916 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -9.730 -2.205 9.279 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -10.712 -1.790 7.887 1.00 0.00 H new ATOM 0 HE ARG A 192 -10.624 -4.695 8.712 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -12.118 -2.208 10.214 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -13.772 -2.598 9.732 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -12.780 -4.926 7.317 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -14.145 -4.126 8.104 1.00 0.00 H new ATOM 787 N MET A 193 -9.945 -1.173 3.413 1.00 0.00 N ATOM 788 CA MET A 193 -10.626 -0.155 2.566 1.00 0.00 C ATOM 789 C MET A 193 -11.559 -0.847 1.573 1.00 0.00 C ATOM 790 O MET A 193 -12.599 -0.329 1.219 1.00 0.00 O ATOM 791 CB MET A 193 -9.574 0.647 1.798 1.00 0.00 C ATOM 792 CG MET A 193 -9.979 2.122 1.771 1.00 0.00 C ATOM 793 SD MET A 193 -8.659 3.098 1.011 1.00 0.00 S ATOM 794 CE MET A 193 -7.742 3.456 2.530 1.00 0.00 C ATOM 0 H MET A 193 -8.935 -1.234 3.286 1.00 0.00 H new ATOM 0 HA MET A 193 -11.209 0.512 3.201 1.00 0.00 H new ATOM 0 HB2 MET A 193 -8.598 0.535 2.271 1.00 0.00 H new ATOM 0 HB3 MET A 193 -9.481 0.265 0.781 1.00 0.00 H new ATOM 0 HG2 MET A 193 -10.906 2.245 1.210 1.00 0.00 H new ATOM 0 HG3 MET A 193 -10.170 2.476 2.784 1.00 0.00 H new ATOM 0 HE1 MET A 193 -6.760 3.855 2.277 1.00 0.00 H new ATOM 0 HE2 MET A 193 -8.290 4.189 3.122 1.00 0.00 H new ATOM 0 HE3 MET A 193 -7.623 2.539 3.108 1.00 0.00 H new ATOM 804 N ARG A 194 -11.195 -2.012 1.114 1.00 0.00 N ATOM 805 CA ARG A 194 -12.063 -2.729 0.138 1.00 0.00 C ATOM 806 C ARG A 194 -12.877 -3.803 0.865 1.00 0.00 C ATOM 807 O ARG A 194 -13.402 -4.714 0.258 1.00 0.00 O ATOM 808 CB ARG A 194 -11.189 -3.382 -0.936 1.00 0.00 C ATOM 809 CG ARG A 194 -10.873 -2.359 -2.030 1.00 0.00 C ATOM 810 CD ARG A 194 -9.357 -2.245 -2.200 1.00 0.00 C ATOM 811 NE ARG A 194 -9.025 -2.142 -3.649 1.00 0.00 N ATOM 812 CZ ARG A 194 -9.765 -1.412 -4.437 1.00 0.00 C ATOM 813 NH1 ARG A 194 -10.819 -1.931 -5.007 1.00 0.00 N ATOM 814 NH2 ARG A 194 -9.453 -0.165 -4.656 1.00 0.00 N ATOM 0 H ARG A 194 -10.336 -2.498 1.372 1.00 0.00 H new ATOM 0 HA ARG A 194 -12.745 -2.020 -0.332 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -10.265 -3.752 -0.492 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -11.703 -4.242 -1.365 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -11.333 -2.663 -2.970 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -11.294 -1.388 -1.768 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -8.986 -1.369 -1.668 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -8.865 -3.115 -1.764 1.00 0.00 H new ATOM 0 HE ARG A 194 -8.219 -2.642 -4.025 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -11.063 -2.906 -4.836 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -11.398 -1.361 -5.623 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -8.630 0.240 -4.211 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -10.032 0.405 -5.272 1.00 0.00 H new ATOM 828 N GLY A 195 -12.990 -3.699 2.161 1.00 0.00 N ATOM 829 CA GLY A 195 -13.775 -4.711 2.924 1.00 0.00 C ATOM 830 C GLY A 195 -13.205 -6.108 2.671 1.00 0.00 C ATOM 831 O GLY A 195 -12.225 -6.505 3.268 1.00 0.00 O ATOM 0 H GLY A 195 -12.573 -2.958 2.724 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -13.742 -4.482 3.989 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -14.822 -4.675 2.622 1.00 0.00 H new ATOM 835 N SER A 196 -13.815 -6.860 1.795 1.00 0.00 N ATOM 836 CA SER A 196 -13.309 -8.233 1.513 1.00 0.00 C ATOM 837 C SER A 196 -13.074 -8.398 0.010 1.00 0.00 C ATOM 838 O SER A 196 -13.637 -7.686 -0.798 1.00 0.00 O ATOM 839 CB SER A 196 -14.339 -9.260 1.982 1.00 0.00 C ATOM 840 OG SER A 196 -13.880 -9.874 3.178 1.00 0.00 O ATOM 0 H SER A 196 -14.640 -6.583 1.264 1.00 0.00 H new ATOM 0 HA SER A 196 -12.370 -8.388 2.044 1.00 0.00 H new ATOM 0 HB2 SER A 196 -15.300 -8.775 2.154 1.00 0.00 H new ATOM 0 HB3 SER A 196 -14.496 -10.013 1.210 1.00 0.00 H new ATOM 0 HG SER A 196 -14.540 -10.532 3.482 1.00 0.00 H new ATOM 846 N ARG A 197 -12.247 -9.333 -0.370 1.00 0.00 N ATOM 847 CA ARG A 197 -11.975 -9.547 -1.819 1.00 0.00 C ATOM 848 C ARG A 197 -11.421 -8.258 -2.430 1.00 0.00 C ATOM 849 O ARG A 197 -12.158 -7.410 -2.893 1.00 0.00 O ATOM 850 CB ARG A 197 -13.274 -9.932 -2.531 1.00 0.00 C ATOM 851 CG ARG A 197 -12.995 -11.061 -3.524 1.00 0.00 C ATOM 852 CD ARG A 197 -12.646 -12.340 -2.758 1.00 0.00 C ATOM 853 NE ARG A 197 -11.726 -13.175 -3.581 1.00 0.00 N ATOM 854 CZ ARG A 197 -10.441 -13.149 -3.352 1.00 0.00 C ATOM 855 NH1 ARG A 197 -9.750 -12.076 -3.624 1.00 0.00 N ATOM 856 NH2 ARG A 197 -9.847 -14.198 -2.851 1.00 0.00 N ATOM 0 H ARG A 197 -11.747 -9.959 0.262 1.00 0.00 H new ATOM 0 HA ARG A 197 -11.245 -10.348 -1.937 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -14.020 -10.250 -1.803 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -13.685 -9.068 -3.053 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -13.868 -11.229 -4.155 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -12.173 -10.784 -4.184 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -12.175 -12.090 -1.807 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -13.553 -12.898 -2.528 1.00 0.00 H new ATOM 0 HE ARG A 197 -12.100 -13.767 -4.323 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -10.214 -11.256 -4.016 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -8.746 -12.057 -3.445 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -10.387 -15.037 -2.639 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -8.843 -14.179 -2.672 1.00 0.00 H new ATOM 870 N ALA A 198 -10.125 -8.106 -2.436 1.00 0.00 N ATOM 871 CA ALA A 198 -9.521 -6.875 -3.018 1.00 0.00 C ATOM 872 C ALA A 198 -8.258 -7.248 -3.798 1.00 0.00 C ATOM 873 O ALA A 198 -7.823 -8.383 -3.789 1.00 0.00 O ATOM 874 CB ALA A 198 -9.159 -5.903 -1.892 1.00 0.00 C ATOM 0 H ALA A 198 -9.458 -8.782 -2.063 1.00 0.00 H new ATOM 0 HA ALA A 198 -10.236 -6.401 -3.690 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -8.717 -5.002 -2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -10.059 -5.638 -1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -8.443 -6.376 -1.219 1.00 0.00 H new ATOM 880 N LEU A 199 -7.665 -6.301 -4.474 1.00 0.00 N ATOM 881 CA LEU A 199 -6.432 -6.602 -5.254 1.00 0.00 C ATOM 882 C LEU A 199 -5.208 -6.108 -4.481 1.00 0.00 C ATOM 883 O LEU A 199 -5.019 -4.923 -4.293 1.00 0.00 O ATOM 884 CB LEU A 199 -6.499 -5.895 -6.608 1.00 0.00 C ATOM 885 CG LEU A 199 -7.859 -6.160 -7.253 1.00 0.00 C ATOM 886 CD1 LEU A 199 -8.448 -4.846 -7.767 1.00 0.00 C ATOM 887 CD2 LEU A 199 -7.687 -7.131 -8.423 1.00 0.00 C ATOM 0 H LEU A 199 -7.982 -5.332 -4.519 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.354 -7.678 -5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -6.348 -4.823 -6.479 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -5.700 -6.253 -7.257 1.00 0.00 H new ATOM 0 HG LEU A 199 -8.532 -6.594 -6.513 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -9.418 -5.037 -8.227 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -8.571 -4.152 -6.935 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -7.776 -4.410 -8.506 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -8.656 -7.321 -8.884 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -7.013 -6.696 -9.161 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -7.269 -8.069 -8.059 1.00 0.00 H new ATOM 899 N LEU A 200 -4.374 -7.005 -4.033 1.00 0.00 N ATOM 900 CA LEU A 200 -3.162 -6.583 -3.275 1.00 0.00 C ATOM 901 C LEU A 200 -1.919 -7.171 -3.938 1.00 0.00 C ATOM 902 O LEU A 200 -2.004 -7.893 -4.911 1.00 0.00 O ATOM 903 CB LEU A 200 -3.227 -7.087 -1.824 1.00 0.00 C ATOM 904 CG LEU A 200 -4.492 -7.917 -1.589 1.00 0.00 C ATOM 905 CD1 LEU A 200 -4.304 -8.790 -0.347 1.00 0.00 C ATOM 906 CD2 LEU A 200 -5.679 -6.978 -1.375 1.00 0.00 C ATOM 0 H LEU A 200 -4.479 -8.012 -4.159 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.117 -5.494 -3.276 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.346 -7.690 -1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.211 -6.239 -1.139 1.00 0.00 H new ATOM 0 HG LEU A 200 -4.679 -8.552 -2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.204 -9.382 -0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -3.454 -9.456 -0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -4.120 -8.155 0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.582 -7.565 -1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.491 -6.346 -0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -5.812 -6.352 -2.258 1.00 0.00 H new ATOM 918 N ASN A 201 -0.763 -6.888 -3.402 1.00 0.00 N ATOM 919 CA ASN A 201 0.484 -7.454 -3.989 1.00 0.00 C ATOM 920 C ASN A 201 0.543 -8.934 -3.622 1.00 0.00 C ATOM 921 O ASN A 201 1.000 -9.763 -4.384 1.00 0.00 O ATOM 922 CB ASN A 201 1.719 -6.749 -3.418 1.00 0.00 C ATOM 923 CG ASN A 201 1.350 -5.352 -2.920 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.511 -5.067 -1.658 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 0.913 -4.514 -3.683 1.00 0.00 N flip ATOM 0 H ASN A 201 -0.629 -6.291 -2.586 1.00 0.00 H new ATOM 0 HA ASN A 201 0.476 -7.315 -5.070 1.00 0.00 H new ATOM 0 HB2 ASN A 201 2.135 -7.336 -2.599 1.00 0.00 H new ATOM 0 HB3 ASN A 201 2.492 -6.677 -4.184 1.00 0.00 H new ATOM 0 HD21 ASN A 201 0.788 -4.739 -4.670 1.00 0.00 H new ATOM 0 HD22 ASN A 201 0.671 -3.586 -3.337 1.00 0.00 H new ATOM 932 N PHE A 202 0.073 -9.263 -2.451 1.00 0.00 N ATOM 933 CA PHE A 202 0.083 -10.683 -2.007 1.00 0.00 C ATOM 934 C PHE A 202 -1.357 -11.127 -1.734 1.00 0.00 C ATOM 935 O PHE A 202 -1.807 -11.099 -0.607 1.00 0.00 O ATOM 936 CB PHE A 202 0.909 -10.808 -0.726 1.00 0.00 C ATOM 937 CG PHE A 202 2.186 -10.022 -0.869 1.00 0.00 C ATOM 938 CD1 PHE A 202 2.856 -9.988 -2.098 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.707 -9.333 0.232 1.00 0.00 C ATOM 940 CE1 PHE A 202 4.048 -9.263 -2.225 1.00 0.00 C ATOM 941 CE2 PHE A 202 3.898 -8.609 0.107 1.00 0.00 C ATOM 942 CZ PHE A 202 4.570 -8.574 -1.122 1.00 0.00 C ATOM 0 H PHE A 202 -0.320 -8.604 -1.779 1.00 0.00 H new ATOM 0 HA PHE A 202 0.522 -11.312 -2.781 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.337 -10.439 0.125 1.00 0.00 H new ATOM 0 HB3 PHE A 202 1.135 -11.856 -0.528 1.00 0.00 H new ATOM 0 HD1 PHE A 202 2.454 -10.520 -2.947 1.00 0.00 H new ATOM 0 HD2 PHE A 202 2.189 -9.360 1.179 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.565 -9.235 -3.173 1.00 0.00 H new ATOM 0 HE2 PHE A 202 4.299 -8.078 0.957 1.00 0.00 H new ATOM 0 HZ PHE A 202 5.490 -8.016 -1.219 1.00 0.00 H new ATOM 952 N PRO A 203 -2.038 -11.516 -2.782 1.00 0.00 N ATOM 953 CA PRO A 203 -3.438 -11.967 -2.697 1.00 0.00 C ATOM 954 C PRO A 203 -3.508 -13.395 -2.150 1.00 0.00 C ATOM 955 O PRO A 203 -3.798 -14.332 -2.868 1.00 0.00 O ATOM 956 CB PRO A 203 -3.922 -11.911 -4.148 1.00 0.00 C ATOM 957 CG PRO A 203 -2.655 -11.983 -5.034 1.00 0.00 C ATOM 958 CD PRO A 203 -1.474 -11.547 -4.148 1.00 0.00 C ATOM 0 HA PRO A 203 -4.045 -11.358 -2.028 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -4.595 -12.740 -4.365 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -4.477 -10.992 -4.337 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -2.503 -12.994 -5.412 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -2.751 -11.330 -5.901 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -0.642 -12.248 -4.220 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -1.094 -10.569 -4.444 1.00 0.00 H new