USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 490 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 Set 1.1: A 34 LYS NZ :NH3+ -162:sc= 0.232 (180deg=0) USER MOD Set 1.2: A 36 TYR OH : rot 0:sc= 0.164 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0735 K(o=-0.074,f=-2!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0137 X(o=-0.014,f=-0.27) USER MOD Single : A 38 SER OG : rot -12:sc= 0.97 USER MOD Single : A 42 LYS NZ :NH3+ 168:sc= -0.0114 (180deg=-0.181) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 166:sc= 0.432 (180deg=0.338) USER MOD Single : A 50 MET CE :methyl 178:sc= -1.24 (180deg=-1.29) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 150:sc= -1.82 USER MOD Single : A 70 ASN : amide:sc= -1.76! C(o=-1.8!,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 94 N LYS A 10 0.232 12.492 9.080 1.00 0.00 N ATOM 95 CA LYS A 10 0.786 12.498 7.732 1.00 0.00 C ATOM 96 C LYS A 10 1.786 11.360 7.550 1.00 0.00 C ATOM 97 O LYS A 10 1.487 10.355 6.904 1.00 0.00 O ATOM 98 CB LYS A 10 1.466 13.838 7.443 1.00 0.00 C ATOM 99 CG LYS A 10 0.543 15.034 7.600 1.00 0.00 C ATOM 100 CD LYS A 10 -0.532 15.054 6.526 1.00 0.00 C ATOM 101 CE LYS A 10 -1.767 15.813 6.987 1.00 0.00 C ATOM 102 NZ LYS A 10 -2.718 14.931 7.719 1.00 0.00 N ATOM 0 HA LYS A 10 -0.034 12.355 7.029 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.317 13.956 8.113 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.860 13.824 6.427 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.075 15.007 8.584 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.126 15.954 7.550 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.136 15.516 5.622 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.808 14.032 6.267 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.466 16.638 7.633 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.268 16.250 6.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.546 15.485 8.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.025 14.158 7.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.248 14.534 8.557 1.00 0.00 H new ATOM 116 N LYS A 11 2.972 11.523 8.125 1.00 0.00 N ATOM 117 CA LYS A 11 4.016 10.509 8.029 1.00 0.00 C ATOM 118 C LYS A 11 3.515 9.163 8.544 1.00 0.00 C ATOM 119 O LYS A 11 2.593 9.086 9.356 1.00 0.00 O ATOM 120 CB LYS A 11 5.251 10.942 8.821 1.00 0.00 C ATOM 121 CG LYS A 11 5.230 10.497 10.273 1.00 0.00 C ATOM 122 CD LYS A 11 6.184 11.321 11.122 1.00 0.00 C ATOM 123 CE LYS A 11 7.574 10.704 11.155 1.00 0.00 C ATOM 124 NZ LYS A 11 7.715 9.712 12.257 1.00 0.00 N ATOM 0 H LYS A 11 3.235 12.349 8.663 1.00 0.00 H new ATOM 0 HA LYS A 11 4.286 10.399 6.979 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.141 10.538 8.339 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.333 12.028 8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.218 10.588 10.668 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.503 9.444 10.336 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.244 12.334 10.725 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.795 11.399 12.137 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.778 10.218 10.201 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.318 11.491 11.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.676 9.315 12.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.545 10.181 13.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.022 8.947 12.126 1.00 0.00 H new ATOM 138 N PRO A 12 4.137 8.076 8.064 1.00 0.00 N ATOM 139 CA PRO A 12 3.772 6.714 8.464 1.00 0.00 C ATOM 140 C PRO A 12 4.152 6.413 9.909 1.00 0.00 C ATOM 141 O PRO A 12 5.328 6.299 10.256 1.00 0.00 O ATOM 142 CB PRO A 12 4.578 5.835 7.504 1.00 0.00 C ATOM 143 CG PRO A 12 5.743 6.675 7.109 1.00 0.00 C ATOM 144 CD PRO A 12 5.244 8.093 7.093 1.00 0.00 C ATOM 0 HA PRO A 12 2.696 6.548 8.413 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.901 4.913 7.988 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.984 5.549 6.636 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.565 6.559 7.815 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.120 6.383 6.129 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.024 8.797 7.385 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.903 8.388 6.100 1.00 0.00 H new ATOM 152 N PRO A 13 3.136 6.280 10.774 1.00 0.00 N ATOM 153 CA PRO A 13 3.339 5.990 12.196 1.00 0.00 C ATOM 154 C PRO A 13 3.852 4.573 12.431 1.00 0.00 C ATOM 155 O PRO A 13 3.842 3.741 11.524 1.00 0.00 O ATOM 156 CB PRO A 13 1.941 6.158 12.796 1.00 0.00 C ATOM 157 CG PRO A 13 1.009 5.903 11.663 1.00 0.00 C ATOM 158 CD PRO A 13 1.709 6.403 10.430 1.00 0.00 C ATOM 0 HA PRO A 13 4.090 6.642 12.641 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.774 5.455 13.612 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.803 7.159 13.204 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.780 4.841 11.578 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.062 6.422 11.812 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.454 5.807 9.554 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.438 7.434 10.204 1.00 0.00 H new ATOM 166 N ASN A 14 4.299 4.305 13.654 1.00 0.00 N ATOM 167 CA ASN A 14 4.816 2.988 14.007 1.00 0.00 C ATOM 168 C ASN A 14 3.844 1.891 13.586 1.00 0.00 C ATOM 169 O ASN A 14 2.853 1.630 14.268 1.00 0.00 O ATOM 170 CB ASN A 14 5.074 2.906 15.513 1.00 0.00 C ATOM 171 CG ASN A 14 6.096 1.843 15.867 1.00 0.00 C ATOM 172 OD1 ASN A 14 6.807 1.336 14.999 1.00 0.00 O ATOM 173 ND2 ASN A 14 6.174 1.501 17.148 1.00 0.00 N ATOM 0 H ASN A 14 4.313 4.982 14.417 1.00 0.00 H new ATOM 0 HA ASN A 14 5.756 2.839 13.475 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.422 3.874 15.873 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.138 2.692 16.028 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.843 0.792 17.447 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.565 1.948 17.833 1.00 0.00 H new ATOM 180 N ARG A 15 4.135 1.251 12.457 1.00 0.00 N ATOM 181 CA ARG A 15 3.286 0.183 11.944 1.00 0.00 C ATOM 182 C ARG A 15 4.128 -0.987 11.444 1.00 0.00 C ATOM 183 O ARG A 15 4.742 -0.931 10.378 1.00 0.00 O ATOM 184 CB ARG A 15 2.398 0.706 10.814 1.00 0.00 C ATOM 185 CG ARG A 15 1.062 1.251 11.293 1.00 0.00 C ATOM 186 CD ARG A 15 -0.008 1.127 10.219 1.00 0.00 C ATOM 187 NE ARG A 15 -1.344 0.983 10.790 1.00 0.00 N ATOM 188 CZ ARG A 15 -1.958 1.944 11.472 1.00 0.00 C ATOM 189 NH1 ARG A 15 -1.360 3.111 11.665 1.00 0.00 N ATOM 190 NH2 ARG A 15 -3.174 1.737 11.961 1.00 0.00 N ATOM 0 H ARG A 15 4.952 1.454 11.881 1.00 0.00 H new ATOM 0 HA ARG A 15 2.654 -0.168 12.760 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.931 1.492 10.279 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.218 -0.099 10.102 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.747 0.711 12.186 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.175 2.297 11.576 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.019 2.008 9.578 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.211 0.266 9.587 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.832 0.097 10.658 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.426 3.274 11.290 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.834 3.847 12.189 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.637 0.840 11.813 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.646 2.475 12.485 1.00 0.00 H new ATOM 204 N PRO A 16 4.159 -2.074 12.229 1.00 0.00 N ATOM 205 CA PRO A 16 4.922 -3.278 11.886 1.00 0.00 C ATOM 206 C PRO A 16 4.319 -4.029 10.705 1.00 0.00 C ATOM 207 O PRO A 16 3.611 -5.019 10.882 1.00 0.00 O ATOM 208 CB PRO A 16 4.838 -4.125 13.158 1.00 0.00 C ATOM 209 CG PRO A 16 3.588 -3.674 13.832 1.00 0.00 C ATOM 210 CD PRO A 16 3.451 -2.211 13.513 1.00 0.00 C ATOM 0 HA PRO A 16 5.942 -3.042 11.581 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.800 -5.189 12.923 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.709 -3.970 13.795 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.726 -4.235 13.471 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.645 -3.835 14.909 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.406 -1.914 13.429 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.898 -1.587 14.287 1.00 0.00 H new ATOM 218 N GLY A 17 4.604 -3.551 9.497 1.00 0.00 N ATOM 219 CA GLY A 17 4.082 -4.191 8.304 1.00 0.00 C ATOM 220 C GLY A 17 3.930 -3.223 7.146 1.00 0.00 C ATOM 221 O GLY A 17 4.661 -3.308 6.159 1.00 0.00 O ATOM 0 H GLY A 17 5.187 -2.732 9.324 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.747 -5.003 8.010 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.114 -4.638 8.529 1.00 0.00 H new ATOM 225 N ILE A 18 2.980 -2.303 7.267 1.00 0.00 N ATOM 226 CA ILE A 18 2.735 -1.316 6.223 1.00 0.00 C ATOM 227 C ILE A 18 3.718 -0.155 6.322 1.00 0.00 C ATOM 228 O ILE A 18 4.053 0.299 7.417 1.00 0.00 O ATOM 229 CB ILE A 18 1.298 -0.765 6.294 1.00 0.00 C ATOM 230 CG1 ILE A 18 0.302 -1.905 6.515 1.00 0.00 C ATOM 231 CG2 ILE A 18 0.961 0.002 5.024 1.00 0.00 C ATOM 232 CD1 ILE A 18 -1.129 -1.437 6.659 1.00 0.00 C ATOM 0 H ILE A 18 2.367 -2.220 8.078 1.00 0.00 H new ATOM 0 HA ILE A 18 2.873 -1.825 5.269 1.00 0.00 H new ATOM 0 HB ILE A 18 1.229 -0.079 7.138 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.366 -2.600 5.678 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.587 -2.457 7.410 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.057 0.385 5.090 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.655 0.834 4.907 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.044 -0.663 4.164 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.780 -2.298 6.813 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.208 -0.765 7.514 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.432 -0.910 5.754 1.00 0.00 H new ATOM 244 N THR A 19 4.178 0.324 5.170 1.00 0.00 N ATOM 245 CA THR A 19 5.122 1.433 5.126 1.00 0.00 C ATOM 246 C THR A 19 4.872 2.321 3.913 1.00 0.00 C ATOM 247 O THR A 19 5.194 1.952 2.783 1.00 0.00 O ATOM 248 CB THR A 19 6.578 0.930 5.088 1.00 0.00 C ATOM 249 OG1 THR A 19 6.896 0.258 6.311 1.00 0.00 O ATOM 250 CG2 THR A 19 7.544 2.085 4.872 1.00 0.00 C ATOM 0 H THR A 19 3.912 -0.039 4.255 1.00 0.00 H new ATOM 0 HA THR A 19 4.969 2.014 6.036 1.00 0.00 H new ATOM 0 HB THR A 19 6.677 0.234 4.255 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.822 -0.060 6.278 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.566 1.705 4.849 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.318 2.576 3.926 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.442 2.802 5.687 1.00 0.00 H new ATOM 258 N PHE A 20 4.295 3.494 4.153 1.00 0.00 N ATOM 259 CA PHE A 20 4.001 4.435 3.079 1.00 0.00 C ATOM 260 C PHE A 20 5.286 4.926 2.418 1.00 0.00 C ATOM 261 O PHE A 20 6.002 5.759 2.972 1.00 0.00 O ATOM 262 CB PHE A 20 3.205 5.626 3.619 1.00 0.00 C ATOM 263 CG PHE A 20 2.089 5.231 4.543 1.00 0.00 C ATOM 264 CD1 PHE A 20 1.279 4.146 4.249 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.851 5.945 5.707 1.00 0.00 C ATOM 266 CE1 PHE A 20 0.251 3.782 5.098 1.00 0.00 C ATOM 267 CE2 PHE A 20 0.824 5.585 6.560 1.00 0.00 C ATOM 268 CZ PHE A 20 0.024 4.501 6.255 1.00 0.00 C ATOM 0 H PHE A 20 4.022 3.815 5.082 1.00 0.00 H new ATOM 0 HA PHE A 20 3.403 3.916 2.330 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.883 6.297 4.147 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.791 6.186 2.781 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.453 3.579 3.347 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.475 6.792 5.950 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.375 2.935 4.857 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.648 6.150 7.463 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.778 4.216 6.920 1.00 0.00 H new ATOM 278 N GLU A 21 5.571 4.401 1.230 1.00 0.00 N ATOM 279 CA GLU A 21 6.770 4.784 0.494 1.00 0.00 C ATOM 280 C GLU A 21 6.516 4.761 -1.010 1.00 0.00 C ATOM 281 O GLU A 21 5.420 4.425 -1.460 1.00 0.00 O ATOM 282 CB GLU A 21 7.929 3.848 0.841 1.00 0.00 C ATOM 283 CG GLU A 21 8.771 4.329 2.011 1.00 0.00 C ATOM 284 CD GLU A 21 10.195 3.812 1.956 1.00 0.00 C ATOM 285 OE1 GLU A 21 10.375 2.579 1.866 1.00 0.00 O ATOM 286 OE2 GLU A 21 11.130 4.638 2.004 1.00 0.00 O ATOM 0 H GLU A 21 4.988 3.710 0.757 1.00 0.00 H new ATOM 0 HA GLU A 21 7.034 5.801 0.785 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.530 2.860 1.073 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.569 3.736 -0.034 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.784 5.419 2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.308 4.008 2.944 1.00 0.00 H new ATOM 293 N ILE A 22 7.535 5.122 -1.782 1.00 0.00 N ATOM 294 CA ILE A 22 7.423 5.142 -3.235 1.00 0.00 C ATOM 295 C ILE A 22 7.803 3.792 -3.835 1.00 0.00 C ATOM 296 O ILE A 22 8.972 3.408 -3.836 1.00 0.00 O ATOM 297 CB ILE A 22 8.315 6.235 -3.854 1.00 0.00 C ATOM 298 CG1 ILE A 22 7.845 7.620 -3.407 1.00 0.00 C ATOM 299 CG2 ILE A 22 8.305 6.130 -5.371 1.00 0.00 C ATOM 300 CD1 ILE A 22 6.352 7.824 -3.540 1.00 0.00 C ATOM 0 H ILE A 22 8.448 5.405 -1.425 1.00 0.00 H new ATOM 0 HA ILE A 22 6.381 5.360 -3.467 1.00 0.00 H new ATOM 0 HB ILE A 22 9.338 6.089 -3.506 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.133 7.774 -2.367 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.361 8.378 -3.997 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.940 6.909 -5.794 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.682 5.152 -5.671 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.286 6.254 -5.738 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.091 8.828 -3.205 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.060 7.702 -4.583 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.828 7.089 -2.928 1.00 0.00 H new ATOM 312 N GLY A 23 6.806 3.076 -4.346 1.00 0.00 N ATOM 313 CA GLY A 23 7.056 1.777 -4.943 1.00 0.00 C ATOM 314 C GLY A 23 6.746 0.634 -3.996 1.00 0.00 C ATOM 315 O GLY A 23 6.789 -0.532 -4.386 1.00 0.00 O ATOM 0 H GLY A 23 5.830 3.372 -4.357 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.452 1.672 -5.844 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.100 1.717 -5.251 1.00 0.00 H new ATOM 319 N ALA A 24 6.435 0.969 -2.749 1.00 0.00 N ATOM 320 CA ALA A 24 6.117 -0.038 -1.744 1.00 0.00 C ATOM 321 C ALA A 24 4.903 -0.863 -2.159 1.00 0.00 C ATOM 322 O ALA A 24 3.925 -0.327 -2.679 1.00 0.00 O ATOM 323 CB ALA A 24 5.872 0.621 -0.395 1.00 0.00 C ATOM 0 H ALA A 24 6.396 1.930 -2.410 1.00 0.00 H new ATOM 0 HA ALA A 24 6.970 -0.711 -1.658 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.636 -0.143 0.346 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.767 1.161 -0.086 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.038 1.318 -0.477 1.00 0.00 H new ATOM 329 N ARG A 25 4.975 -2.170 -1.927 1.00 0.00 N ATOM 330 CA ARG A 25 3.882 -3.069 -2.279 1.00 0.00 C ATOM 331 C ARG A 25 3.011 -3.368 -1.062 1.00 0.00 C ATOM 332 O ARG A 25 3.489 -3.894 -0.056 1.00 0.00 O ATOM 333 CB ARG A 25 4.434 -4.373 -2.857 1.00 0.00 C ATOM 334 CG ARG A 25 5.300 -4.175 -4.091 1.00 0.00 C ATOM 335 CD ARG A 25 6.101 -5.425 -4.416 1.00 0.00 C ATOM 336 NE ARG A 25 5.244 -6.536 -4.821 1.00 0.00 N ATOM 337 CZ ARG A 25 5.626 -7.807 -4.794 1.00 0.00 C ATOM 338 NH1 ARG A 25 6.845 -8.128 -4.384 1.00 0.00 N ATOM 339 NH2 ARG A 25 4.788 -8.762 -5.178 1.00 0.00 N ATOM 0 H ARG A 25 5.778 -2.630 -1.497 1.00 0.00 H new ATOM 0 HA ARG A 25 3.267 -2.577 -3.032 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.019 -4.881 -2.091 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.601 -5.030 -3.110 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.670 -3.914 -4.941 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.979 -3.338 -3.930 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.809 -5.204 -5.215 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.685 -5.718 -3.544 1.00 0.00 H new ATOM 0 HE ARG A 25 4.300 -6.324 -5.142 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.492 -7.397 -4.088 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.136 -9.106 -4.364 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.849 -8.520 -5.494 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.083 -9.738 -5.157 1.00 0.00 H new ATOM 353 N LEU A 26 1.730 -3.029 -1.161 1.00 0.00 N ATOM 354 CA LEU A 26 0.791 -3.260 -0.069 1.00 0.00 C ATOM 355 C LEU A 26 -0.600 -3.580 -0.606 1.00 0.00 C ATOM 356 O LEU A 26 -0.823 -3.584 -1.816 1.00 0.00 O ATOM 357 CB LEU A 26 0.729 -2.035 0.845 1.00 0.00 C ATOM 358 CG LEU A 26 0.463 -0.696 0.155 1.00 0.00 C ATOM 359 CD1 LEU A 26 1.697 -0.231 -0.602 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.730 -0.808 -0.783 1.00 0.00 C ATOM 0 H LEU A 26 1.318 -2.593 -1.986 1.00 0.00 H new ATOM 0 HA LEU A 26 1.144 -4.116 0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.052 -2.200 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.673 -1.961 1.385 1.00 0.00 H new ATOM 0 HG LEU A 26 0.231 0.045 0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.489 0.723 -1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.527 -0.111 0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.961 -0.971 -1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.905 0.154 -1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.526 -1.563 -1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.614 -1.095 -0.214 1.00 0.00 H new ATOM 372 N GLU A 27 -1.533 -3.845 0.303 1.00 0.00 N ATOM 373 CA GLU A 27 -2.904 -4.163 -0.080 1.00 0.00 C ATOM 374 C GLU A 27 -3.830 -2.977 0.175 1.00 0.00 C ATOM 375 O GLU A 27 -3.571 -2.151 1.049 1.00 0.00 O ATOM 376 CB GLU A 27 -3.401 -5.388 0.691 1.00 0.00 C ATOM 377 CG GLU A 27 -2.606 -6.651 0.406 1.00 0.00 C ATOM 378 CD GLU A 27 -2.935 -7.777 1.367 1.00 0.00 C ATOM 379 OE1 GLU A 27 -2.801 -7.569 2.592 1.00 0.00 O ATOM 380 OE2 GLU A 27 -3.326 -8.864 0.896 1.00 0.00 O ATOM 0 H GLU A 27 -1.365 -3.846 1.309 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.914 -4.386 -1.147 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.359 -5.176 1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.447 -5.564 0.442 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.806 -6.979 -0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.541 -6.427 0.466 1.00 0.00 H new ATOM 387 N ALA A 28 -4.909 -2.901 -0.597 1.00 0.00 N ATOM 388 CA ALA A 28 -5.875 -1.818 -0.454 1.00 0.00 C ATOM 389 C ALA A 28 -7.303 -2.351 -0.468 1.00 0.00 C ATOM 390 O ALA A 28 -7.615 -3.302 -1.186 1.00 0.00 O ATOM 391 CB ALA A 28 -5.682 -0.791 -1.560 1.00 0.00 C ATOM 0 H ALA A 28 -5.136 -3.576 -1.327 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.705 -1.336 0.509 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.409 0.012 -1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.674 -0.379 -1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.824 -1.269 -2.529 1.00 0.00 H new ATOM 397 N LEU A 29 -8.168 -1.733 0.329 1.00 0.00 N ATOM 398 CA LEU A 29 -9.565 -2.146 0.409 1.00 0.00 C ATOM 399 C LEU A 29 -10.412 -1.403 -0.618 1.00 0.00 C ATOM 400 O LEU A 29 -10.584 -0.186 -0.533 1.00 0.00 O ATOM 401 CB LEU A 29 -10.111 -1.895 1.816 1.00 0.00 C ATOM 402 CG LEU A 29 -11.444 -2.566 2.148 1.00 0.00 C ATOM 403 CD1 LEU A 29 -11.234 -4.035 2.481 1.00 0.00 C ATOM 404 CD2 LEU A 29 -12.130 -1.849 3.301 1.00 0.00 C ATOM 0 H LEU A 29 -7.927 -0.944 0.929 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.616 -3.213 0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.367 -2.232 2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.224 -0.820 1.954 1.00 0.00 H new ATOM 0 HG LEU A 29 -12.089 -2.502 1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.194 -4.496 2.715 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.787 -4.542 1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.571 -4.122 3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.077 -2.341 3.523 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.489 -1.881 4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -12.316 -0.811 3.025 1.00 0.00 H new ATOM 416 N ASP A 30 -10.941 -2.142 -1.587 1.00 0.00 N ATOM 417 CA ASP A 30 -11.773 -1.553 -2.630 1.00 0.00 C ATOM 418 C ASP A 30 -13.205 -1.364 -2.139 1.00 0.00 C ATOM 419 O ASP A 30 -13.638 -2.016 -1.189 1.00 0.00 O ATOM 420 CB ASP A 30 -11.762 -2.434 -3.880 1.00 0.00 C ATOM 421 CG ASP A 30 -10.473 -2.305 -4.667 1.00 0.00 C ATOM 422 OD1 ASP A 30 -10.140 -1.174 -5.079 1.00 0.00 O ATOM 423 OD2 ASP A 30 -9.796 -3.335 -4.872 1.00 0.00 O ATOM 0 H ASP A 30 -10.809 -3.150 -1.672 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.361 -0.576 -2.881 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.904 -3.475 -3.589 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.603 -2.164 -4.519 1.00 0.00 H new ATOM 428 N TYR A 31 -13.936 -0.467 -2.793 1.00 0.00 N ATOM 429 CA TYR A 31 -15.318 -0.189 -2.421 1.00 0.00 C ATOM 430 C TYR A 31 -16.073 -1.482 -2.127 1.00 0.00 C ATOM 431 O TYR A 31 -17.057 -1.485 -1.387 1.00 0.00 O ATOM 432 CB TYR A 31 -16.022 0.584 -3.537 1.00 0.00 C ATOM 433 CG TYR A 31 -16.030 -0.140 -4.864 1.00 0.00 C ATOM 434 CD1 TYR A 31 -14.922 -0.106 -5.703 1.00 0.00 C ATOM 435 CD2 TYR A 31 -17.144 -0.858 -5.280 1.00 0.00 C ATOM 436 CE1 TYR A 31 -14.924 -0.765 -6.917 1.00 0.00 C ATOM 437 CE2 TYR A 31 -17.155 -1.522 -6.492 1.00 0.00 C ATOM 438 CZ TYR A 31 -16.043 -1.472 -7.306 1.00 0.00 C ATOM 439 OH TYR A 31 -16.050 -2.131 -8.515 1.00 0.00 O ATOM 0 H TYR A 31 -13.594 0.080 -3.583 1.00 0.00 H new ATOM 0 HA TYR A 31 -15.310 0.419 -1.516 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -17.050 0.784 -3.236 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -15.533 1.550 -3.663 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -14.044 0.445 -5.400 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -18.017 -0.898 -4.645 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -14.055 -0.727 -7.557 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -18.029 -2.077 -6.800 1.00 0.00 H new ATOM 0 HH TYR A 31 -16.912 -2.581 -8.637 1.00 0.00 H new ATOM 449 N LEU A 32 -15.605 -2.579 -2.712 1.00 0.00 N ATOM 450 CA LEU A 32 -16.235 -3.880 -2.514 1.00 0.00 C ATOM 451 C LEU A 32 -15.724 -4.543 -1.239 1.00 0.00 C ATOM 452 O LEU A 32 -15.756 -5.766 -1.109 1.00 0.00 O ATOM 453 CB LEU A 32 -15.967 -4.787 -3.716 1.00 0.00 C ATOM 454 CG LEU A 32 -16.482 -4.283 -5.065 1.00 0.00 C ATOM 455 CD1 LEU A 32 -16.038 -5.209 -6.186 1.00 0.00 C ATOM 456 CD2 LEU A 32 -17.998 -4.157 -5.044 1.00 0.00 C ATOM 0 H LEU A 32 -14.792 -2.594 -3.327 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.309 -3.725 -2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.891 -4.943 -3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.416 -5.760 -3.519 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.058 -3.296 -5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -16.414 -4.834 -7.138 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.949 -5.248 -6.216 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.432 -6.210 -6.009 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -18.347 -3.797 -6.012 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -18.441 -5.131 -4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -18.294 -3.452 -4.267 1.00 0.00 H new ATOM 468 N GLN A 33 -15.257 -3.727 -0.300 1.00 0.00 N ATOM 469 CA GLN A 33 -14.741 -4.235 0.966 1.00 0.00 C ATOM 470 C GLN A 33 -13.869 -5.466 0.743 1.00 0.00 C ATOM 471 O GLN A 33 -13.767 -6.333 1.612 1.00 0.00 O ATOM 472 CB GLN A 33 -15.895 -4.576 1.910 1.00 0.00 C ATOM 473 CG GLN A 33 -16.720 -3.368 2.325 1.00 0.00 C ATOM 474 CD GLN A 33 -17.421 -3.568 3.654 1.00 0.00 C ATOM 475 OE1 GLN A 33 -16.808 -3.989 4.635 1.00 0.00 O ATOM 476 NE2 GLN A 33 -18.714 -3.267 3.693 1.00 0.00 N ATOM 0 H GLN A 33 -15.225 -2.712 -0.392 1.00 0.00 H new ATOM 0 HA GLN A 33 -14.128 -3.456 1.420 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -16.548 -5.302 1.425 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -15.493 -5.055 2.803 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -16.071 -2.494 2.389 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -17.462 -3.158 1.555 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -19.183 -2.921 2.856 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -19.238 -3.382 4.560 1.00 0.00 H new ATOM 485 N LYS A 34 -13.242 -5.537 -0.426 1.00 0.00 N ATOM 486 CA LYS A 34 -12.377 -6.662 -0.763 1.00 0.00 C ATOM 487 C LYS A 34 -10.910 -6.301 -0.554 1.00 0.00 C ATOM 488 O LYS A 34 -10.557 -5.126 -0.461 1.00 0.00 O ATOM 489 CB LYS A 34 -12.606 -7.090 -2.214 1.00 0.00 C ATOM 490 CG LYS A 34 -13.864 -7.918 -2.412 1.00 0.00 C ATOM 491 CD LYS A 34 -13.677 -8.965 -3.498 1.00 0.00 C ATOM 492 CE LYS A 34 -12.861 -10.147 -2.998 1.00 0.00 C ATOM 493 NZ LYS A 34 -13.100 -11.370 -3.813 1.00 0.00 N ATOM 0 H LYS A 34 -13.316 -4.829 -1.156 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.627 -7.492 -0.102 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.664 -6.201 -2.842 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.745 -7.665 -2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.130 -8.408 -1.475 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.694 -7.263 -2.676 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -14.651 -9.313 -3.841 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.179 -8.515 -4.357 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.801 -9.894 -3.025 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.114 -10.349 -1.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.784 -12.207 -3.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.115 -11.455 -4.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.568 -11.303 -4.704 1.00 0.00 H new ATOM 507 N TRP A 35 -10.060 -7.319 -0.484 1.00 0.00 N ATOM 508 CA TRP A 35 -8.630 -7.109 -0.288 1.00 0.00 C ATOM 509 C TRP A 35 -7.846 -7.499 -1.536 1.00 0.00 C ATOM 510 O TRP A 35 -8.123 -8.524 -2.160 1.00 0.00 O ATOM 511 CB TRP A 35 -8.135 -7.916 0.913 1.00 0.00 C ATOM 512 CG TRP A 35 -8.687 -7.434 2.221 1.00 0.00 C ATOM 513 CD1 TRP A 35 -9.534 -8.111 3.052 1.00 0.00 C ATOM 514 CD2 TRP A 35 -8.432 -6.172 2.846 1.00 0.00 C ATOM 515 NE1 TRP A 35 -9.821 -7.344 4.156 1.00 0.00 N ATOM 516 CE2 TRP A 35 -9.156 -6.151 4.054 1.00 0.00 C ATOM 517 CE3 TRP A 35 -7.660 -5.058 2.504 1.00 0.00 C ATOM 518 CZ2 TRP A 35 -9.131 -5.059 4.917 1.00 0.00 C ATOM 519 CZ3 TRP A 35 -7.637 -3.975 3.362 1.00 0.00 C ATOM 520 CH2 TRP A 35 -8.368 -3.982 4.557 1.00 0.00 C ATOM 0 H TRP A 35 -10.336 -8.298 -0.560 1.00 0.00 H new ATOM 0 HA TRP A 35 -8.467 -6.048 -0.096 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.407 -8.962 0.776 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -7.046 -7.872 0.948 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.921 -9.102 2.869 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -10.430 -7.619 4.926 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -7.092 -5.044 1.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -9.694 -5.062 5.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -7.045 -3.108 3.107 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -8.328 -3.120 5.207 1.00 0.00 H new ATOM 531 N TYR A 36 -6.867 -6.677 -1.895 1.00 0.00 N ATOM 532 CA TYR A 36 -6.044 -6.935 -3.071 1.00 0.00 C ATOM 533 C TYR A 36 -4.719 -6.184 -2.985 1.00 0.00 C ATOM 534 O TYR A 36 -4.599 -5.159 -2.313 1.00 0.00 O ATOM 535 CB TYR A 36 -6.792 -6.528 -4.342 1.00 0.00 C ATOM 536 CG TYR A 36 -7.974 -7.415 -4.659 1.00 0.00 C ATOM 537 CD1 TYR A 36 -7.791 -8.725 -5.084 1.00 0.00 C ATOM 538 CD2 TYR A 36 -9.275 -6.943 -4.533 1.00 0.00 C ATOM 539 CE1 TYR A 36 -8.869 -9.539 -5.376 1.00 0.00 C ATOM 540 CE2 TYR A 36 -10.359 -7.750 -4.821 1.00 0.00 C ATOM 541 CZ TYR A 36 -10.151 -9.047 -5.243 1.00 0.00 C ATOM 542 OH TYR A 36 -11.227 -9.855 -5.531 1.00 0.00 O ATOM 0 H TYR A 36 -6.623 -5.826 -1.389 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.833 -8.004 -3.108 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.138 -5.500 -4.236 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.099 -6.546 -5.183 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.789 -9.114 -5.188 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.442 -5.928 -4.204 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.709 -10.555 -5.706 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.364 -7.368 -4.716 1.00 0.00 H new ATOM 0 HH TYR A 36 -10.907 -10.738 -5.813 1.00 0.00 H new ATOM 552 N PRO A 37 -3.698 -6.706 -3.681 1.00 0.00 N ATOM 553 CA PRO A 37 -2.363 -6.102 -3.701 1.00 0.00 C ATOM 554 C PRO A 37 -2.335 -4.781 -4.463 1.00 0.00 C ATOM 555 O PRO A 37 -3.208 -4.511 -5.287 1.00 0.00 O ATOM 556 CB PRO A 37 -1.509 -7.151 -4.419 1.00 0.00 C ATOM 557 CG PRO A 37 -2.473 -7.908 -5.266 1.00 0.00 C ATOM 558 CD PRO A 37 -3.769 -7.926 -4.503 1.00 0.00 C ATOM 0 HA PRO A 37 -2.011 -5.859 -2.698 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.733 -6.683 -5.024 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.007 -7.807 -3.708 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.599 -7.429 -6.237 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.116 -8.921 -5.453 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.629 -7.910 -5.172 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.860 -8.821 -3.887 1.00 0.00 H new ATOM 566 N SER A 38 -1.327 -3.962 -4.181 1.00 0.00 N ATOM 567 CA SER A 38 -1.189 -2.667 -4.838 1.00 0.00 C ATOM 568 C SER A 38 0.192 -2.072 -4.579 1.00 0.00 C ATOM 569 O SER A 38 0.981 -2.619 -3.809 1.00 0.00 O ATOM 570 CB SER A 38 -2.271 -1.704 -4.347 1.00 0.00 C ATOM 571 OG SER A 38 -3.561 -2.150 -4.727 1.00 0.00 O ATOM 0 H SER A 38 -0.594 -4.172 -3.503 1.00 0.00 H new ATOM 0 HA SER A 38 -1.306 -2.817 -5.911 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.218 -1.616 -3.262 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.091 -0.710 -4.757 1.00 0.00 H new ATOM 0 HG SER A 38 -3.477 -2.878 -5.378 1.00 0.00 H new ATOM 577 N ARG A 39 0.476 -0.948 -5.229 1.00 0.00 N ATOM 578 CA ARG A 39 1.762 -0.279 -5.071 1.00 0.00 C ATOM 579 C ARG A 39 1.575 1.229 -4.925 1.00 0.00 C ATOM 580 O ARG A 39 0.510 1.765 -5.231 1.00 0.00 O ATOM 581 CB ARG A 39 2.667 -0.578 -6.268 1.00 0.00 C ATOM 582 CG ARG A 39 3.535 -1.811 -6.081 1.00 0.00 C ATOM 583 CD ARG A 39 4.569 -1.938 -7.190 1.00 0.00 C ATOM 584 NE ARG A 39 4.904 -3.332 -7.468 1.00 0.00 N ATOM 585 CZ ARG A 39 5.592 -3.723 -8.535 1.00 0.00 C ATOM 586 NH1 ARG A 39 6.015 -2.831 -9.419 1.00 0.00 N ATOM 587 NH2 ARG A 39 5.858 -5.010 -8.718 1.00 0.00 N ATOM 0 H ARG A 39 -0.167 -0.482 -5.869 1.00 0.00 H new ATOM 0 HA ARG A 39 2.233 -0.659 -4.165 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.049 -0.710 -7.156 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.309 0.284 -6.452 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.039 -1.759 -5.116 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.906 -2.701 -6.065 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.187 -1.469 -8.097 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.472 -1.397 -6.907 1.00 0.00 H new ATOM 0 HE ARG A 39 4.593 -4.044 -6.807 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.813 -1.841 -9.281 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.543 -3.135 -10.237 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.534 -5.699 -8.039 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.386 -5.310 -9.537 1.00 0.00 H new ATOM 601 N ILE A 40 2.618 1.906 -4.456 1.00 0.00 N ATOM 602 CA ILE A 40 2.569 3.351 -4.270 1.00 0.00 C ATOM 603 C ILE A 40 3.357 4.072 -5.358 1.00 0.00 C ATOM 604 O ILE A 40 4.583 3.975 -5.418 1.00 0.00 O ATOM 605 CB ILE A 40 3.123 3.761 -2.893 1.00 0.00 C ATOM 606 CG1 ILE A 40 2.166 3.321 -1.783 1.00 0.00 C ATOM 607 CG2 ILE A 40 3.350 5.264 -2.840 1.00 0.00 C ATOM 608 CD1 ILE A 40 2.786 3.353 -0.404 1.00 0.00 C ATOM 0 H ILE A 40 3.507 1.477 -4.198 1.00 0.00 H new ATOM 0 HA ILE A 40 1.520 3.641 -4.331 1.00 0.00 H new ATOM 0 HB ILE A 40 4.081 3.263 -2.739 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.289 3.968 -1.793 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.819 2.309 -1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.742 5.539 -1.861 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.066 5.551 -3.610 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.406 5.781 -3.011 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.051 3.029 0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.647 2.685 -0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.108 4.369 -0.173 1.00 0.00 H new ATOM 620 N GLU A 41 2.646 4.797 -6.216 1.00 0.00 N ATOM 621 CA GLU A 41 3.280 5.536 -7.301 1.00 0.00 C ATOM 622 C GLU A 41 3.753 6.906 -6.823 1.00 0.00 C ATOM 623 O GLU A 41 4.843 7.357 -7.174 1.00 0.00 O ATOM 624 CB GLU A 41 2.310 5.699 -8.473 1.00 0.00 C ATOM 625 CG GLU A 41 2.242 4.483 -9.381 1.00 0.00 C ATOM 626 CD GLU A 41 3.341 4.473 -10.425 1.00 0.00 C ATOM 627 OE1 GLU A 41 3.507 5.497 -11.121 1.00 0.00 O ATOM 628 OE2 GLU A 41 4.035 3.442 -10.548 1.00 0.00 O ATOM 0 H GLU A 41 1.631 4.888 -6.181 1.00 0.00 H new ATOM 0 HA GLU A 41 4.148 4.967 -7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.314 5.907 -8.083 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.608 6.566 -9.063 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.312 3.579 -8.777 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.273 4.460 -9.879 1.00 0.00 H new ATOM 635 N LYS A 42 2.924 7.564 -6.020 1.00 0.00 N ATOM 636 CA LYS A 42 3.254 8.882 -5.492 1.00 0.00 C ATOM 637 C LYS A 42 2.664 9.075 -4.099 1.00 0.00 C ATOM 638 O LYS A 42 1.777 8.329 -3.683 1.00 0.00 O ATOM 639 CB LYS A 42 2.738 9.975 -6.432 1.00 0.00 C ATOM 640 CG LYS A 42 3.588 10.157 -7.677 1.00 0.00 C ATOM 641 CD LYS A 42 2.790 10.782 -8.810 1.00 0.00 C ATOM 642 CE LYS A 42 3.637 10.949 -10.062 1.00 0.00 C ATOM 643 NZ LYS A 42 4.078 9.638 -10.613 1.00 0.00 N ATOM 0 H LYS A 42 2.017 7.205 -5.720 1.00 0.00 H new ATOM 0 HA LYS A 42 4.339 8.955 -5.420 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.718 9.734 -6.731 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.696 10.919 -5.889 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.446 10.787 -7.444 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.979 9.191 -7.996 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.925 10.158 -9.035 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.409 11.753 -8.495 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.065 11.487 -10.818 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.511 11.558 -9.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.474 9.777 -11.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.804 9.227 -9.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.264 8.993 -10.668 1.00 0.00 H new ATOM 657 N ILE A 43 3.160 10.079 -3.384 1.00 0.00 N ATOM 658 CA ILE A 43 2.679 10.370 -2.040 1.00 0.00 C ATOM 659 C ILE A 43 2.651 11.872 -1.778 1.00 0.00 C ATOM 660 O ILE A 43 3.687 12.536 -1.808 1.00 0.00 O ATOM 661 CB ILE A 43 3.553 9.690 -0.970 1.00 0.00 C ATOM 662 CG1 ILE A 43 3.541 8.171 -1.160 1.00 0.00 C ATOM 663 CG2 ILE A 43 3.067 10.058 0.424 1.00 0.00 C ATOM 664 CD1 ILE A 43 4.551 7.447 -0.298 1.00 0.00 C ATOM 0 H ILE A 43 3.895 10.705 -3.714 1.00 0.00 H new ATOM 0 HA ILE A 43 1.666 9.974 -1.976 1.00 0.00 H new ATOM 0 HB ILE A 43 4.578 10.044 -1.081 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.544 7.792 -0.934 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.739 7.942 -2.207 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.695 9.569 1.169 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.122 11.139 0.555 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.035 9.730 0.548 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.487 6.375 -0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.554 7.798 -0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.341 7.646 0.753 1.00 0.00 H new ATOM 676 N ASP A 44 1.460 12.400 -1.520 1.00 0.00 N ATOM 677 CA ASP A 44 1.298 13.824 -1.250 1.00 0.00 C ATOM 678 C ASP A 44 1.286 14.095 0.251 1.00 0.00 C ATOM 679 O ASP A 44 0.280 13.869 0.924 1.00 0.00 O ATOM 680 CB ASP A 44 0.005 14.341 -1.885 1.00 0.00 C ATOM 681 CG ASP A 44 0.081 15.814 -2.233 1.00 0.00 C ATOM 682 OD1 ASP A 44 0.343 16.628 -1.322 1.00 0.00 O ATOM 683 OD2 ASP A 44 -0.122 16.154 -3.418 1.00 0.00 O ATOM 0 H ASP A 44 0.593 11.864 -1.492 1.00 0.00 H new ATOM 0 HA ASP A 44 2.145 14.351 -1.689 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.208 13.768 -2.787 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.825 14.175 -1.199 1.00 0.00 H new ATOM 688 N TYR A 45 2.409 14.578 0.769 1.00 0.00 N ATOM 689 CA TYR A 45 2.529 14.875 2.191 1.00 0.00 C ATOM 690 C TYR A 45 1.841 16.193 2.532 1.00 0.00 C ATOM 691 O TYR A 45 1.388 16.396 3.658 1.00 0.00 O ATOM 692 CB TYR A 45 4.003 14.937 2.598 1.00 0.00 C ATOM 693 CG TYR A 45 4.625 13.578 2.827 1.00 0.00 C ATOM 694 CD1 TYR A 45 4.895 12.727 1.762 1.00 0.00 C ATOM 695 CD2 TYR A 45 4.944 13.146 4.108 1.00 0.00 C ATOM 696 CE1 TYR A 45 5.462 11.485 1.967 1.00 0.00 C ATOM 697 CE2 TYR A 45 5.514 11.905 4.322 1.00 0.00 C ATOM 698 CZ TYR A 45 5.770 11.078 3.249 1.00 0.00 C ATOM 699 OH TYR A 45 6.337 9.842 3.457 1.00 0.00 O ATOM 0 H TYR A 45 3.250 14.772 0.225 1.00 0.00 H new ATOM 0 HA TYR A 45 2.038 14.075 2.746 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.564 15.458 1.822 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.095 15.528 3.509 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.657 13.043 0.757 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.743 13.791 4.951 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.663 10.835 1.128 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.757 11.585 5.324 1.00 0.00 H new ATOM 0 HH TYR A 45 6.492 9.710 4.416 1.00 0.00 H new ATOM 709 N GLU A 46 1.765 17.085 1.549 1.00 0.00 N ATOM 710 CA GLU A 46 1.131 18.384 1.744 1.00 0.00 C ATOM 711 C GLU A 46 -0.379 18.234 1.906 1.00 0.00 C ATOM 712 O GLU A 46 -1.006 18.963 2.673 1.00 0.00 O ATOM 713 CB GLU A 46 1.440 19.309 0.565 1.00 0.00 C ATOM 714 CG GLU A 46 1.251 20.783 0.883 1.00 0.00 C ATOM 715 CD GLU A 46 1.358 21.663 -0.348 1.00 0.00 C ATOM 716 OE1 GLU A 46 2.462 21.742 -0.925 1.00 0.00 O ATOM 717 OE2 GLU A 46 0.338 22.273 -0.733 1.00 0.00 O ATOM 0 H GLU A 46 2.134 16.932 0.611 1.00 0.00 H new ATOM 0 HA GLU A 46 1.534 18.823 2.656 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.469 19.144 0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.798 19.042 -0.274 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.275 20.929 1.346 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.999 21.092 1.613 1.00 0.00 H new ATOM 724 N GLU A 47 -0.954 17.283 1.177 1.00 0.00 N ATOM 725 CA GLU A 47 -2.391 17.039 1.238 1.00 0.00 C ATOM 726 C GLU A 47 -2.709 15.907 2.210 1.00 0.00 C ATOM 727 O GLU A 47 -3.625 16.012 3.024 1.00 0.00 O ATOM 728 CB GLU A 47 -2.933 16.699 -0.152 1.00 0.00 C ATOM 729 CG GLU A 47 -3.035 17.901 -1.076 1.00 0.00 C ATOM 730 CD GLU A 47 -3.575 19.132 -0.373 1.00 0.00 C ATOM 731 OE1 GLU A 47 -4.727 19.083 0.108 1.00 0.00 O ATOM 732 OE2 GLU A 47 -2.846 20.144 -0.304 1.00 0.00 O ATOM 0 H GLU A 47 -0.448 16.670 0.538 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.873 17.949 1.595 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.287 15.952 -0.612 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.919 16.247 -0.048 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.050 18.124 -1.486 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.682 17.654 -1.917 1.00 0.00 H new ATOM 739 N GLY A 48 -1.944 14.823 2.118 1.00 0.00 N ATOM 740 CA GLY A 48 -2.159 13.686 2.994 1.00 0.00 C ATOM 741 C GLY A 48 -2.694 12.477 2.254 1.00 0.00 C ATOM 742 O GLY A 48 -3.377 11.634 2.836 1.00 0.00 O ATOM 0 H GLY A 48 -1.179 14.712 1.452 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.220 13.424 3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.859 13.965 3.781 1.00 0.00 H new ATOM 746 N LYS A 49 -2.385 12.390 0.964 1.00 0.00 N ATOM 747 CA LYS A 49 -2.839 11.275 0.141 1.00 0.00 C ATOM 748 C LYS A 49 -1.664 10.608 -0.567 1.00 0.00 C ATOM 749 O LYS A 49 -0.518 11.030 -0.419 1.00 0.00 O ATOM 750 CB LYS A 49 -3.862 11.759 -0.890 1.00 0.00 C ATOM 751 CG LYS A 49 -3.387 12.949 -1.706 1.00 0.00 C ATOM 752 CD LYS A 49 -4.113 13.037 -3.037 1.00 0.00 C ATOM 753 CE LYS A 49 -3.303 13.814 -4.063 1.00 0.00 C ATOM 754 NZ LYS A 49 -3.958 13.815 -5.401 1.00 0.00 N ATOM 0 H LYS A 49 -1.822 13.079 0.466 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.310 10.541 0.795 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.101 10.938 -1.566 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.785 12.027 -0.376 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.549 13.867 -1.141 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.314 12.867 -1.880 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.310 12.033 -3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.080 13.519 -2.894 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.173 14.841 -3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.308 13.378 -4.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.514 14.537 -6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.848 12.880 -5.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.970 14.029 -5.292 1.00 0.00 H new ATOM 768 N MET A 50 -1.958 9.565 -1.336 1.00 0.00 N ATOM 769 CA MET A 50 -0.925 8.842 -2.069 1.00 0.00 C ATOM 770 C MET A 50 -1.527 8.080 -3.246 1.00 0.00 C ATOM 771 O MET A 50 -2.572 7.441 -3.116 1.00 0.00 O ATOM 772 CB MET A 50 -0.194 7.873 -1.139 1.00 0.00 C ATOM 773 CG MET A 50 -1.085 7.274 -0.063 1.00 0.00 C ATOM 774 SD MET A 50 -0.357 5.817 0.711 1.00 0.00 S ATOM 775 CE MET A 50 -1.616 4.589 0.374 1.00 0.00 C ATOM 0 H MET A 50 -2.902 9.202 -1.468 1.00 0.00 H new ATOM 0 HA MET A 50 -0.212 9.570 -2.456 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.236 7.067 -1.733 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.636 8.396 -0.663 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.281 8.026 0.701 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.046 7.006 -0.501 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.294 3.622 0.761 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.548 4.881 0.858 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.773 4.515 -0.702 1.00 0.00 H new ATOM 785 N LEU A 51 -0.861 8.152 -4.394 1.00 0.00 N ATOM 786 CA LEU A 51 -1.331 7.468 -5.594 1.00 0.00 C ATOM 787 C LEU A 51 -1.029 5.975 -5.524 1.00 0.00 C ATOM 788 O LEU A 51 0.130 5.563 -5.562 1.00 0.00 O ATOM 789 CB LEU A 51 -0.678 8.074 -6.838 1.00 0.00 C ATOM 790 CG LEU A 51 -1.505 8.022 -8.123 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.668 8.464 -9.314 1.00 0.00 C ATOM 792 CD2 LEU A 51 -2.056 6.622 -8.346 1.00 0.00 C ATOM 0 H LEU A 51 0.005 8.676 -4.519 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.411 7.598 -5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.437 9.116 -6.626 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.266 7.559 -7.016 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.345 8.709 -8.020 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.273 8.421 -10.220 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.323 9.486 -9.157 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.192 7.803 -9.420 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.642 6.604 -9.265 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.231 5.915 -8.428 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.691 6.343 -7.505 1.00 0.00 H new ATOM 804 N VAL A 52 -2.081 5.168 -5.422 1.00 0.00 N ATOM 805 CA VAL A 52 -1.929 3.720 -5.350 1.00 0.00 C ATOM 806 C VAL A 52 -2.567 3.040 -6.556 1.00 0.00 C ATOM 807 O VAL A 52 -3.632 3.447 -7.021 1.00 0.00 O ATOM 808 CB VAL A 52 -2.557 3.153 -4.063 1.00 0.00 C ATOM 809 CG1 VAL A 52 -4.044 3.469 -4.011 1.00 0.00 C ATOM 810 CG2 VAL A 52 -2.319 1.654 -3.970 1.00 0.00 C ATOM 0 H VAL A 52 -3.047 5.493 -5.387 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.859 3.514 -5.344 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.079 3.627 -3.206 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.471 3.061 -3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.187 4.549 -4.028 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.541 3.024 -4.873 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.769 1.270 -3.055 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.769 1.160 -4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.247 1.456 -3.958 1.00 0.00 H new ATOM 820 N HIS A 53 -1.908 2.000 -7.059 1.00 0.00 N ATOM 821 CA HIS A 53 -2.412 1.261 -8.211 1.00 0.00 C ATOM 822 C HIS A 53 -2.799 -0.161 -7.818 1.00 0.00 C ATOM 823 O HIS A 53 -2.031 -0.866 -7.164 1.00 0.00 O ATOM 824 CB HIS A 53 -1.360 1.227 -9.321 1.00 0.00 C ATOM 825 CG HIS A 53 -1.440 0.007 -10.185 1.00 0.00 C ATOM 826 ND1 HIS A 53 -2.381 -0.149 -11.181 1.00 0.00 N ATOM 827 CD2 HIS A 53 -0.689 -1.119 -10.199 1.00 0.00 C ATOM 828 CE1 HIS A 53 -2.206 -1.319 -11.770 1.00 0.00 C ATOM 829 NE2 HIS A 53 -1.185 -1.927 -11.193 1.00 0.00 N ATOM 0 H HIS A 53 -1.025 1.651 -6.687 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.302 1.772 -8.578 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.474 2.113 -9.946 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.368 1.280 -8.872 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.145 -1.341 -9.550 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -2.797 -1.711 -12.584 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.824 -2.847 -11.445 1.00 0.00 H new ATOM 1005 N GLU A 63 -5.619 5.039 -8.456 1.00 0.00 N ATOM 1006 CA GLU A 63 -6.460 5.997 -7.749 1.00 0.00 C ATOM 1007 C GLU A 63 -5.800 6.443 -6.447 1.00 0.00 C ATOM 1008 O GLU A 63 -5.290 5.622 -5.685 1.00 0.00 O ATOM 1009 CB GLU A 63 -7.832 5.387 -7.456 1.00 0.00 C ATOM 1010 CG GLU A 63 -8.692 6.236 -6.535 1.00 0.00 C ATOM 1011 CD GLU A 63 -9.685 5.411 -5.739 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -10.752 5.071 -6.292 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -9.395 5.106 -4.564 1.00 0.00 O ATOM 0 HA GLU A 63 -6.589 6.870 -8.389 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.361 5.236 -8.397 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.694 4.404 -7.006 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.049 6.786 -5.848 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.232 6.975 -7.127 1.00 0.00 H new ATOM 1020 N TRP A 64 -5.815 7.747 -6.200 1.00 0.00 N ATOM 1021 CA TRP A 64 -5.218 8.303 -4.991 1.00 0.00 C ATOM 1022 C TRP A 64 -6.027 7.917 -3.757 1.00 0.00 C ATOM 1023 O TRP A 64 -7.251 8.054 -3.739 1.00 0.00 O ATOM 1024 CB TRP A 64 -5.123 9.826 -5.097 1.00 0.00 C ATOM 1025 CG TRP A 64 -4.090 10.289 -6.080 1.00 0.00 C ATOM 1026 CD1 TRP A 64 -4.234 10.386 -7.435 1.00 0.00 C ATOM 1027 CD2 TRP A 64 -2.756 10.715 -5.785 1.00 0.00 C ATOM 1028 NE1 TRP A 64 -3.070 10.848 -7.999 1.00 0.00 N ATOM 1029 CE2 TRP A 64 -2.148 11.058 -7.008 1.00 0.00 C ATOM 1030 CE3 TRP A 64 -2.017 10.843 -4.606 1.00 0.00 C ATOM 1031 CZ2 TRP A 64 -0.836 11.518 -7.084 1.00 0.00 C ATOM 1032 CZ3 TRP A 64 -0.714 11.299 -4.683 1.00 0.00 C ATOM 1033 CH2 TRP A 64 -0.135 11.633 -5.914 1.00 0.00 C ATOM 0 H TRP A 64 -6.234 8.440 -6.821 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.215 7.890 -4.889 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.095 10.224 -5.387 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.890 10.238 -4.115 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.131 10.136 -7.982 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -2.917 11.009 -8.995 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.456 10.590 -3.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -0.387 11.775 -8.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.133 11.399 -3.778 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.885 11.988 -5.940 1.00 0.00 H new ATOM 1044 N ILE A 65 -5.337 7.434 -2.730 1.00 0.00 N ATOM 1045 CA ILE A 65 -5.993 7.030 -1.492 1.00 0.00 C ATOM 1046 C ILE A 65 -5.311 7.654 -0.279 1.00 0.00 C ATOM 1047 O ILE A 65 -4.083 7.677 -0.187 1.00 0.00 O ATOM 1048 CB ILE A 65 -5.998 5.498 -1.332 1.00 0.00 C ATOM 1049 CG1 ILE A 65 -6.802 4.849 -2.460 1.00 0.00 C ATOM 1050 CG2 ILE A 65 -6.568 5.109 0.024 1.00 0.00 C ATOM 1051 CD1 ILE A 65 -6.852 3.339 -2.376 1.00 0.00 C ATOM 0 H ILE A 65 -4.324 7.313 -2.730 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.022 7.385 -1.550 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.971 5.138 -1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.819 5.240 -2.441 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.368 5.137 -3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.565 4.023 0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.958 5.546 0.814 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.590 5.478 0.108 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.438 2.948 -3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.840 2.938 -2.426 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.314 3.042 -1.435 1.00 0.00 H new ATOM 1063 N TYR A 66 -6.115 8.159 0.650 1.00 0.00 N ATOM 1064 CA TYR A 66 -5.589 8.784 1.858 1.00 0.00 C ATOM 1065 C TYR A 66 -4.806 7.778 2.696 1.00 0.00 C ATOM 1066 O TYR A 66 -5.363 6.796 3.187 1.00 0.00 O ATOM 1067 CB TYR A 66 -6.729 9.377 2.687 1.00 0.00 C ATOM 1068 CG TYR A 66 -7.391 10.573 2.040 1.00 0.00 C ATOM 1069 CD1 TYR A 66 -6.636 11.646 1.582 1.00 0.00 C ATOM 1070 CD2 TYR A 66 -8.770 10.630 1.885 1.00 0.00 C ATOM 1071 CE1 TYR A 66 -7.236 12.741 0.991 1.00 0.00 C ATOM 1072 CE2 TYR A 66 -9.379 11.720 1.294 1.00 0.00 C ATOM 1073 CZ TYR A 66 -8.607 12.773 0.848 1.00 0.00 C ATOM 1074 OH TYR A 66 -9.209 13.861 0.259 1.00 0.00 O ATOM 0 H TYR A 66 -7.133 8.148 0.590 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.912 9.584 1.558 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.480 8.606 2.860 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.343 9.670 3.663 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.562 11.623 1.690 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.377 9.807 2.233 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.634 13.568 0.643 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.453 11.748 1.182 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.179 13.725 0.235 1.00 0.00 H new ATOM 1084 N TRP A 67 -3.512 8.030 2.854 1.00 0.00 N ATOM 1085 CA TRP A 67 -2.651 7.148 3.633 1.00 0.00 C ATOM 1086 C TRP A 67 -3.131 7.054 5.077 1.00 0.00 C ATOM 1087 O TRP A 67 -2.636 6.237 5.854 1.00 0.00 O ATOM 1088 CB TRP A 67 -1.206 7.647 3.594 1.00 0.00 C ATOM 1089 CG TRP A 67 -1.061 9.082 4.002 1.00 0.00 C ATOM 1090 CD1 TRP A 67 -2.070 9.968 4.252 1.00 0.00 C ATOM 1091 CD2 TRP A 67 0.162 9.796 4.204 1.00 0.00 C ATOM 1092 NE1 TRP A 67 -1.547 11.190 4.597 1.00 0.00 N ATOM 1093 CE2 TRP A 67 -0.179 11.111 4.576 1.00 0.00 C ATOM 1094 CE3 TRP A 67 1.514 9.453 4.109 1.00 0.00 C ATOM 1095 CZ2 TRP A 67 0.782 12.080 4.852 1.00 0.00 C ATOM 1096 CZ3 TRP A 67 2.466 10.416 4.382 1.00 0.00 C ATOM 1097 CH2 TRP A 67 2.097 11.717 4.751 1.00 0.00 C ATOM 0 H TRP A 67 -3.036 8.838 2.453 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.696 6.153 3.190 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.597 7.027 4.252 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -0.813 7.522 2.585 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -3.124 9.741 4.188 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.089 12.022 4.831 1.00 0.00 H new ATOM 0 HE3 TRP A 67 1.809 8.453 3.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.499 13.083 5.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.513 10.162 4.310 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.865 12.447 4.960 1.00 0.00 H new ATOM 1108 N ASP A 68 -4.096 7.896 5.431 1.00 0.00 N ATOM 1109 CA ASP A 68 -4.643 7.907 6.782 1.00 0.00 C ATOM 1110 C ASP A 68 -6.048 7.311 6.805 1.00 0.00 C ATOM 1111 O ASP A 68 -6.834 7.584 7.711 1.00 0.00 O ATOM 1112 CB ASP A 68 -4.673 9.334 7.332 1.00 0.00 C ATOM 1113 CG ASP A 68 -5.355 9.420 8.684 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -4.778 8.919 9.672 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -6.464 9.989 8.753 1.00 0.00 O ATOM 0 H ASP A 68 -4.515 8.580 4.801 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.998 7.296 7.413 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.653 9.708 7.419 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.191 9.982 6.625 1.00 0.00 H new ATOM 1120 N SER A 69 -6.355 6.496 5.801 1.00 0.00 N ATOM 1121 CA SER A 69 -7.666 5.866 5.702 1.00 0.00 C ATOM 1122 C SER A 69 -7.701 4.560 6.490 1.00 0.00 C ATOM 1123 O SER A 69 -8.767 4.089 6.886 1.00 0.00 O ATOM 1124 CB SER A 69 -8.020 5.600 4.237 1.00 0.00 C ATOM 1125 OG SER A 69 -9.423 5.621 4.039 1.00 0.00 O ATOM 0 H SER A 69 -5.714 6.257 5.045 1.00 0.00 H new ATOM 0 HA SER A 69 -8.402 6.548 6.127 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.549 6.352 3.604 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.621 4.632 3.933 1.00 0.00 H new ATOM 0 HG SER A 69 -9.620 5.927 3.129 1.00 0.00 H new ATOM 1131 N ASN A 70 -6.527 3.979 6.714 1.00 0.00 N ATOM 1132 CA ASN A 70 -6.422 2.727 7.454 1.00 0.00 C ATOM 1133 C ASN A 70 -7.129 1.596 6.714 1.00 0.00 C ATOM 1134 O ASN A 70 -7.625 0.652 7.329 1.00 0.00 O ATOM 1135 CB ASN A 70 -7.018 2.887 8.854 1.00 0.00 C ATOM 1136 CG ASN A 70 -6.990 1.593 9.645 1.00 0.00 C ATOM 1137 OD1 ASN A 70 -8.016 0.936 9.819 1.00 0.00 O ATOM 1138 ND2 ASN A 70 -5.810 1.221 10.130 1.00 0.00 N ATOM 0 H ASN A 70 -5.635 4.355 6.394 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.366 2.474 7.543 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.464 3.653 9.396 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.047 3.236 8.770 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.729 0.360 10.671 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.985 1.797 9.961 1.00 0.00 H new ATOM 1145 N ARG A 71 -7.172 1.700 5.389 1.00 0.00 N ATOM 1146 CA ARG A 71 -7.819 0.687 4.565 1.00 0.00 C ATOM 1147 C ARG A 71 -6.786 -0.120 3.784 1.00 0.00 C ATOM 1148 O ARG A 71 -7.117 -0.788 2.803 1.00 0.00 O ATOM 1149 CB ARG A 71 -8.808 1.341 3.598 1.00 0.00 C ATOM 1150 CG ARG A 71 -9.740 2.340 4.264 1.00 0.00 C ATOM 1151 CD ARG A 71 -10.507 3.157 3.236 1.00 0.00 C ATOM 1152 NE ARG A 71 -11.574 3.944 3.847 1.00 0.00 N ATOM 1153 CZ ARG A 71 -12.585 4.468 3.164 1.00 0.00 C ATOM 1154 NH1 ARG A 71 -12.667 4.289 1.853 1.00 0.00 N ATOM 1155 NH2 ARG A 71 -13.518 5.172 3.792 1.00 0.00 N ATOM 0 H ARG A 71 -6.767 2.475 4.864 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.361 0.009 5.225 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.251 1.846 2.809 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.404 0.564 3.120 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -10.443 1.811 4.908 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.163 3.008 4.904 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.819 3.823 2.715 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.933 2.489 2.487 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.541 4.100 4.854 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.952 3.748 1.367 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.445 4.693 1.331 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.459 5.311 4.801 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -14.294 5.574 3.266 1.00 0.00 H new ATOM 1169 N LEU A 72 -5.535 -0.053 4.224 1.00 0.00 N ATOM 1170 CA LEU A 72 -4.452 -0.777 3.567 1.00 0.00 C ATOM 1171 C LEU A 72 -3.834 -1.805 4.508 1.00 0.00 C ATOM 1172 O LEU A 72 -3.782 -1.599 5.721 1.00 0.00 O ATOM 1173 CB LEU A 72 -3.379 0.200 3.084 1.00 0.00 C ATOM 1174 CG LEU A 72 -3.885 1.529 2.521 1.00 0.00 C ATOM 1175 CD1 LEU A 72 -2.867 2.633 2.761 1.00 0.00 C ATOM 1176 CD2 LEU A 72 -4.190 1.397 1.036 1.00 0.00 C ATOM 0 H LEU A 72 -5.245 0.496 5.033 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.869 -1.303 2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.709 0.413 3.917 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.785 -0.295 2.315 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.807 1.794 3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.245 3.571 2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.697 2.745 3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.929 2.376 2.270 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.549 2.352 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.284 1.109 0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.956 0.636 0.888 1.00 0.00 H new ATOM 1188 N ARG A 73 -3.364 -2.911 3.942 1.00 0.00 N ATOM 1189 CA ARG A 73 -2.748 -3.971 4.730 1.00 0.00 C ATOM 1190 C ARG A 73 -1.320 -4.238 4.262 1.00 0.00 C ATOM 1191 O ARG A 73 -0.970 -4.019 3.102 1.00 0.00 O ATOM 1192 CB ARG A 73 -3.575 -5.255 4.634 1.00 0.00 C ATOM 1193 CG ARG A 73 -5.075 -5.020 4.712 1.00 0.00 C ATOM 1194 CD ARG A 73 -5.823 -6.300 5.050 1.00 0.00 C ATOM 1195 NE ARG A 73 -5.850 -7.231 3.925 1.00 0.00 N ATOM 1196 CZ ARG A 73 -6.103 -8.529 4.051 1.00 0.00 C ATOM 1197 NH1 ARG A 73 -6.350 -9.046 5.246 1.00 0.00 N ATOM 1198 NH2 ARG A 73 -6.111 -9.312 2.980 1.00 0.00 N ATOM 0 H ARG A 73 -3.398 -3.097 2.940 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.717 -3.644 5.769 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.343 -5.757 3.695 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.279 -5.929 5.438 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.287 -4.263 5.467 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.433 -4.629 3.760 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.351 -6.780 5.907 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.844 -6.057 5.344 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.664 -6.864 2.991 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.346 -8.447 6.072 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.544 -10.043 5.340 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.923 -8.918 2.058 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.305 -10.308 3.078 1.00 0.00 H new ATOM 1212 N PRO A 74 -0.475 -4.721 5.185 1.00 0.00 N ATOM 1213 CA PRO A 74 0.928 -5.027 4.890 1.00 0.00 C ATOM 1214 C PRO A 74 1.077 -6.239 3.977 1.00 0.00 C ATOM 1215 O PRO A 74 1.085 -7.381 4.440 1.00 0.00 O ATOM 1216 CB PRO A 74 1.524 -5.320 6.269 1.00 0.00 C ATOM 1217 CG PRO A 74 0.368 -5.769 7.095 1.00 0.00 C ATOM 1218 CD PRO A 74 -0.824 -5.006 6.587 1.00 0.00 C ATOM 0 HA PRO A 74 1.421 -4.211 4.362 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.293 -6.091 6.212 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.993 -4.433 6.694 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.214 -6.844 6.999 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.541 -5.565 8.152 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.739 -5.594 6.662 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.986 -4.090 7.155 1.00 0.00 H new ATOM 1226 N LEU A 75 1.195 -5.985 2.679 1.00 0.00 N ATOM 1227 CA LEU A 75 1.345 -7.056 1.700 1.00 0.00 C ATOM 1228 C LEU A 75 2.566 -7.914 2.014 1.00 0.00 C ATOM 1229 O LEU A 75 3.579 -7.413 2.500 1.00 0.00 O ATOM 1230 CB LEU A 75 1.466 -6.473 0.291 1.00 0.00 C ATOM 1231 CG LEU A 75 1.735 -7.477 -0.831 1.00 0.00 C ATOM 1232 CD1 LEU A 75 0.428 -8.030 -1.377 1.00 0.00 C ATOM 1233 CD2 LEU A 75 2.548 -6.830 -1.942 1.00 0.00 C ATOM 0 H LEU A 75 1.190 -5.046 2.280 1.00 0.00 H new ATOM 0 HA LEU A 75 0.458 -7.687 1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.544 -5.939 0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.269 -5.736 0.292 1.00 0.00 H new ATOM 0 HG LEU A 75 2.313 -8.305 -0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.639 -8.743 -2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.117 -8.531 -0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.176 -7.213 -1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.730 -7.559 -2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.997 -5.983 -2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.501 -6.484 -1.541 1.00 0.00 H new