USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 471 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 186 GLN : amide:sc= -9.57! C(o=-9.6!,f=-12!) USER MOD Single : A 192 TYR OH : rot 180:sc= 0 USER MOD Single : A 197 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 202 LYS NZ :NH3+ 160:sc= -0.0747 (180deg=-0.632) USER MOD Single : A 203 CYS SG : rot -47:sc= -1.98! USER MOD Single : A 204 TYR OH : rot -161:sc= 0.796 USER MOD Single : A 214 HIS : no HD1:sc= -0.892 K(o=-0.89,f=-0.32) USER MOD Single : A 217 SER OG : rot 180:sc= 0 USER MOD Single : A 220 SER OG : rot 180:sc= 0 USER MOD Single : A 223 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 229 GLN : amide:sc= -6.4! C(o=-6.4!,f=-5.5!) USER MOD Single : A 230 GLN : amide:sc=-0.00811 K(o=-0.0081,f=-1.7!) USER MOD Single : A 235 MET CE :methyl -110:sc= -0.585 (180deg=-6.52!) USER MOD ----------------------------------------------------------------- ATOM 135 N ASP A 181 11.679 2.953 -0.766 1.00 0.00 N ATOM 136 CA ASP A 181 11.461 2.876 -2.236 1.00 0.00 C ATOM 137 C ASP A 181 10.108 3.532 -2.535 1.00 0.00 C ATOM 138 O ASP A 181 9.060 2.959 -2.310 1.00 0.00 O ATOM 139 CB ASP A 181 11.469 1.423 -2.712 1.00 0.00 C ATOM 140 CG ASP A 181 12.911 0.916 -2.803 1.00 0.00 C ATOM 141 OD1 ASP A 181 13.449 0.527 -1.780 1.00 0.00 O ATOM 142 OD2 ASP A 181 13.451 0.923 -3.896 1.00 0.00 O ATOM 0 HA ASP A 181 12.263 3.392 -2.764 1.00 0.00 H new ATOM 0 HB2 ASP A 181 10.898 0.801 -2.022 1.00 0.00 H new ATOM 0 HB3 ASP A 181 10.985 1.347 -3.686 1.00 0.00 H new ATOM 147 N GLU A 182 10.128 4.745 -3.017 1.00 0.00 N ATOM 148 CA GLU A 182 8.852 5.454 -3.308 1.00 0.00 C ATOM 149 C GLU A 182 8.066 4.655 -4.336 1.00 0.00 C ATOM 150 O GLU A 182 6.862 4.507 -4.241 1.00 0.00 O ATOM 151 CB GLU A 182 9.160 6.836 -3.876 1.00 0.00 C ATOM 152 CG GLU A 182 9.692 7.726 -2.765 1.00 0.00 C ATOM 153 CD GLU A 182 10.056 9.081 -3.357 1.00 0.00 C ATOM 154 OE1 GLU A 182 11.120 9.175 -3.942 1.00 0.00 O ATOM 155 OE2 GLU A 182 9.260 9.996 -3.231 1.00 0.00 O ATOM 0 H GLU A 182 10.975 5.275 -3.222 1.00 0.00 H new ATOM 0 HA GLU A 182 8.270 5.557 -2.392 1.00 0.00 H new ATOM 0 HB2 GLU A 182 9.894 6.757 -4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 182 8.260 7.273 -4.309 1.00 0.00 H new ATOM 0 HG2 GLU A 182 8.941 7.844 -1.984 1.00 0.00 H new ATOM 0 HG3 GLU A 182 10.566 7.269 -2.301 1.00 0.00 H new ATOM 162 N ASP A 183 8.739 4.114 -5.306 1.00 0.00 N ATOM 163 CA ASP A 183 8.034 3.312 -6.327 1.00 0.00 C ATOM 164 C ASP A 183 7.349 2.155 -5.613 1.00 0.00 C ATOM 165 O ASP A 183 6.237 1.782 -5.930 1.00 0.00 O ATOM 166 CB ASP A 183 9.042 2.787 -7.348 1.00 0.00 C ATOM 167 CG ASP A 183 9.546 3.952 -8.198 1.00 0.00 C ATOM 168 OD1 ASP A 183 8.737 4.790 -8.562 1.00 0.00 O ATOM 169 OD2 ASP A 183 10.734 3.988 -8.466 1.00 0.00 O ATOM 0 H ASP A 183 9.748 4.194 -5.434 1.00 0.00 H new ATOM 0 HA ASP A 183 7.296 3.915 -6.856 1.00 0.00 H new ATOM 0 HB2 ASP A 183 9.876 2.305 -6.839 1.00 0.00 H new ATOM 0 HB3 ASP A 183 8.576 2.033 -7.982 1.00 0.00 H new ATOM 174 N ALA A 184 8.002 1.590 -4.643 1.00 0.00 N ATOM 175 CA ALA A 184 7.390 0.461 -3.900 1.00 0.00 C ATOM 176 C ALA A 184 6.232 0.954 -3.030 1.00 0.00 C ATOM 177 O ALA A 184 5.139 0.424 -3.070 1.00 0.00 O ATOM 178 CB ALA A 184 8.432 -0.156 -2.978 1.00 0.00 C ATOM 0 H ALA A 184 8.935 1.861 -4.332 1.00 0.00 H new ATOM 0 HA ALA A 184 7.024 -0.267 -4.624 1.00 0.00 H new ATOM 0 HB1 ALA A 184 7.987 -0.986 -2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 184 9.271 -0.521 -3.570 1.00 0.00 H new ATOM 0 HB3 ALA A 184 8.785 0.596 -2.273 1.00 0.00 H new ATOM 184 N TRP A 185 6.464 1.928 -2.205 1.00 0.00 N ATOM 185 CA TRP A 185 5.374 2.394 -1.310 1.00 0.00 C ATOM 186 C TRP A 185 4.177 2.892 -2.134 1.00 0.00 C ATOM 187 O TRP A 185 3.045 2.553 -1.857 1.00 0.00 O ATOM 188 CB TRP A 185 5.901 3.501 -0.398 1.00 0.00 C ATOM 189 CG TRP A 185 4.899 3.779 0.680 1.00 0.00 C ATOM 190 CD1 TRP A 185 4.249 4.950 0.852 1.00 0.00 C ATOM 191 CD2 TRP A 185 4.424 2.889 1.729 1.00 0.00 C ATOM 192 NE1 TRP A 185 3.406 4.842 1.946 1.00 0.00 N ATOM 193 CE2 TRP A 185 3.480 3.586 2.521 1.00 0.00 C ATOM 194 CE3 TRP A 185 4.720 1.557 2.068 1.00 0.00 C ATOM 195 CZ2 TRP A 185 2.855 2.979 3.610 1.00 0.00 C ATOM 196 CZ3 TRP A 185 4.094 0.945 3.158 1.00 0.00 C ATOM 197 CH2 TRP A 185 3.163 1.654 3.927 1.00 0.00 C ATOM 0 H TRP A 185 7.353 2.420 -2.110 1.00 0.00 H new ATOM 0 HA TRP A 185 5.034 1.561 -0.695 1.00 0.00 H new ATOM 0 HB2 TRP A 185 6.852 3.202 0.043 1.00 0.00 H new ATOM 0 HB3 TRP A 185 6.089 4.405 -0.977 1.00 0.00 H new ATOM 0 HD1 TRP A 185 4.367 5.829 0.236 1.00 0.00 H new ATOM 0 HE1 TRP A 185 2.806 5.594 2.285 1.00 0.00 H new ATOM 0 HE3 TRP A 185 5.437 1.002 1.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 2.139 3.529 4.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 4.329 -0.079 3.408 1.00 0.00 H new ATOM 0 HH2 TRP A 185 2.682 1.175 4.767 1.00 0.00 H new ATOM 208 N GLN A 186 4.408 3.680 -3.150 1.00 0.00 N ATOM 209 CA GLN A 186 3.270 4.165 -3.985 1.00 0.00 C ATOM 210 C GLN A 186 2.557 2.954 -4.591 1.00 0.00 C ATOM 211 O GLN A 186 1.348 2.909 -4.685 1.00 0.00 O ATOM 212 CB GLN A 186 3.787 5.090 -5.093 1.00 0.00 C ATOM 213 CG GLN A 186 4.081 6.480 -4.511 1.00 0.00 C ATOM 214 CD GLN A 186 5.008 6.352 -3.304 1.00 0.00 C ATOM 215 OE1 GLN A 186 6.201 6.551 -3.412 1.00 0.00 O ATOM 216 NE2 GLN A 186 4.501 6.037 -2.147 1.00 0.00 N ATOM 0 H GLN A 186 5.330 4.008 -3.437 1.00 0.00 H new ATOM 0 HA GLN A 186 2.571 4.730 -3.369 1.00 0.00 H new ATOM 0 HB2 GLN A 186 4.691 4.672 -5.537 1.00 0.00 H new ATOM 0 HB3 GLN A 186 3.047 5.168 -5.890 1.00 0.00 H new ATOM 0 HG2 GLN A 186 4.543 7.111 -5.270 1.00 0.00 H new ATOM 0 HG3 GLN A 186 3.150 6.965 -4.216 1.00 0.00 H new ATOM 0 HE21 GLN A 186 3.499 5.870 -2.058 1.00 0.00 H new ATOM 0 HE22 GLN A 186 5.106 5.957 -1.330 1.00 0.00 H new ATOM 225 N PHE A 187 3.294 1.969 -5.011 1.00 0.00 N ATOM 226 CA PHE A 187 2.642 0.777 -5.610 1.00 0.00 C ATOM 227 C PHE A 187 1.701 0.135 -4.576 1.00 0.00 C ATOM 228 O PHE A 187 0.547 -0.113 -4.855 1.00 0.00 O ATOM 229 CB PHE A 187 3.740 -0.229 -6.004 1.00 0.00 C ATOM 230 CG PHE A 187 3.160 -1.363 -6.823 1.00 0.00 C ATOM 231 CD1 PHE A 187 2.367 -2.354 -6.216 1.00 0.00 C ATOM 232 CD2 PHE A 187 3.420 -1.424 -8.201 1.00 0.00 C ATOM 233 CE1 PHE A 187 1.840 -3.395 -6.988 1.00 0.00 C ATOM 234 CE2 PHE A 187 2.889 -2.464 -8.968 1.00 0.00 C ATOM 235 CZ PHE A 187 2.099 -3.449 -8.362 1.00 0.00 C ATOM 0 H PHE A 187 4.313 1.937 -4.966 1.00 0.00 H new ATOM 0 HA PHE A 187 2.063 1.064 -6.488 1.00 0.00 H new ATOM 0 HB2 PHE A 187 4.517 0.279 -6.576 1.00 0.00 H new ATOM 0 HB3 PHE A 187 4.214 -0.627 -5.107 1.00 0.00 H new ATOM 0 HD1 PHE A 187 2.165 -2.311 -5.156 1.00 0.00 H new ATOM 0 HD2 PHE A 187 4.031 -0.666 -8.669 1.00 0.00 H new ATOM 0 HE1 PHE A 187 1.233 -4.158 -6.523 1.00 0.00 H new ATOM 0 HE2 PHE A 187 3.088 -2.508 -10.029 1.00 0.00 H new ATOM 0 HZ PHE A 187 1.689 -4.252 -8.956 1.00 0.00 H new ATOM 245 N LEU A 188 2.175 -0.134 -3.392 1.00 0.00 N ATOM 246 CA LEU A 188 1.297 -0.765 -2.355 1.00 0.00 C ATOM 247 C LEU A 188 0.099 0.145 -2.046 1.00 0.00 C ATOM 248 O LEU A 188 -1.040 -0.285 -2.027 1.00 0.00 O ATOM 249 CB LEU A 188 2.131 -0.978 -1.086 1.00 0.00 C ATOM 250 CG LEU A 188 1.299 -1.646 0.020 1.00 0.00 C ATOM 251 CD1 LEU A 188 0.888 -3.061 -0.422 1.00 0.00 C ATOM 252 CD2 LEU A 188 2.152 -1.739 1.299 1.00 0.00 C ATOM 0 H LEU A 188 3.132 0.054 -3.093 1.00 0.00 H new ATOM 0 HA LEU A 188 0.916 -1.718 -2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 188 2.998 -1.597 -1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 188 2.510 -0.019 -0.731 1.00 0.00 H new ATOM 0 HG LEU A 188 0.403 -1.056 0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 188 0.298 -3.531 0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 188 0.293 -2.999 -1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 188 1.781 -3.657 -0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 188 1.571 -2.212 2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 188 3.044 -2.333 1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 188 2.446 -0.738 1.614 1.00 0.00 H new ATOM 264 N ILE A 189 0.361 1.398 -1.783 1.00 0.00 N ATOM 265 CA ILE A 189 -0.742 2.350 -1.449 1.00 0.00 C ATOM 266 C ILE A 189 -1.717 2.467 -2.623 1.00 0.00 C ATOM 267 O ILE A 189 -2.912 2.560 -2.440 1.00 0.00 O ATOM 268 CB ILE A 189 -0.145 3.745 -1.159 1.00 0.00 C ATOM 269 CG1 ILE A 189 0.752 3.708 0.092 1.00 0.00 C ATOM 270 CG2 ILE A 189 -1.252 4.777 -0.947 1.00 0.00 C ATOM 271 CD1 ILE A 189 -0.026 3.214 1.324 1.00 0.00 C ATOM 0 H ILE A 189 1.296 1.806 -1.785 1.00 0.00 H new ATOM 0 HA ILE A 189 -1.273 1.976 -0.574 1.00 0.00 H new ATOM 0 HB ILE A 189 0.454 4.030 -2.024 1.00 0.00 H new ATOM 0 HG12 ILE A 189 1.605 3.053 -0.089 1.00 0.00 H new ATOM 0 HG13 ILE A 189 1.150 4.704 0.286 1.00 0.00 H new ATOM 0 HG21 ILE A 189 -0.807 5.751 -0.744 1.00 0.00 H new ATOM 0 HG22 ILE A 189 -1.868 4.839 -1.844 1.00 0.00 H new ATOM 0 HG23 ILE A 189 -1.871 4.478 -0.101 1.00 0.00 H new ATOM 0 HD11 ILE A 189 0.635 3.199 2.190 1.00 0.00 H new ATOM 0 HD12 ILE A 189 -0.864 3.884 1.518 1.00 0.00 H new ATOM 0 HD13 ILE A 189 -0.402 2.208 1.138 1.00 0.00 H new ATOM 283 N ALA A 190 -1.216 2.501 -3.823 1.00 0.00 N ATOM 284 CA ALA A 190 -2.117 2.664 -5.001 1.00 0.00 C ATOM 285 C ALA A 190 -3.133 1.521 -5.100 1.00 0.00 C ATOM 286 O ALA A 190 -4.285 1.735 -5.390 1.00 0.00 O ATOM 287 CB ALA A 190 -1.267 2.707 -6.268 1.00 0.00 C ATOM 0 H ALA A 190 -0.223 2.423 -4.042 1.00 0.00 H new ATOM 0 HA ALA A 190 -2.676 3.592 -4.883 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -1.915 2.826 -7.137 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -0.575 3.547 -6.213 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -0.704 1.778 -6.360 1.00 0.00 H new ATOM 293 N ASP A 191 -2.727 0.318 -4.872 1.00 0.00 N ATOM 294 CA ASP A 191 -3.693 -0.814 -4.973 1.00 0.00 C ATOM 295 C ASP A 191 -4.710 -0.754 -3.826 1.00 0.00 C ATOM 296 O ASP A 191 -5.879 -1.010 -4.017 1.00 0.00 O ATOM 297 CB ASP A 191 -2.908 -2.119 -4.895 1.00 0.00 C ATOM 298 CG ASP A 191 -3.826 -3.283 -5.253 1.00 0.00 C ATOM 299 OD1 ASP A 191 -5.019 -3.146 -5.053 1.00 0.00 O ATOM 300 OD2 ASP A 191 -3.320 -4.289 -5.722 1.00 0.00 O ATOM 0 H ASP A 191 -1.773 0.059 -4.620 1.00 0.00 H new ATOM 0 HA ASP A 191 -4.236 -0.751 -5.916 1.00 0.00 H new ATOM 0 HB2 ASP A 191 -2.059 -2.087 -5.578 1.00 0.00 H new ATOM 0 HB3 ASP A 191 -2.505 -2.255 -3.891 1.00 0.00 H new ATOM 305 N TYR A 192 -4.275 -0.422 -2.642 1.00 0.00 N ATOM 306 CA TYR A 192 -5.211 -0.356 -1.471 1.00 0.00 C ATOM 307 C TYR A 192 -6.335 0.667 -1.704 1.00 0.00 C ATOM 308 O TYR A 192 -7.463 0.455 -1.308 1.00 0.00 O ATOM 309 CB TYR A 192 -4.421 0.049 -0.228 1.00 0.00 C ATOM 310 CG TYR A 192 -5.231 -0.236 1.022 1.00 0.00 C ATOM 311 CD1 TYR A 192 -6.108 0.735 1.530 1.00 0.00 C ATOM 312 CD2 TYR A 192 -5.093 -1.467 1.684 1.00 0.00 C ATOM 313 CE1 TYR A 192 -6.845 0.475 2.691 1.00 0.00 C ATOM 314 CE2 TYR A 192 -5.832 -1.723 2.849 1.00 0.00 C ATOM 315 CZ TYR A 192 -6.708 -0.751 3.352 1.00 0.00 C ATOM 316 OH TYR A 192 -7.436 -1.001 4.500 1.00 0.00 O ATOM 0 H TYR A 192 -3.305 -0.191 -2.428 1.00 0.00 H new ATOM 0 HA TYR A 192 -5.665 -1.338 -1.340 1.00 0.00 H new ATOM 0 HB2 TYR A 192 -3.479 -0.498 -0.192 1.00 0.00 H new ATOM 0 HB3 TYR A 192 -4.172 1.109 -0.275 1.00 0.00 H new ATOM 0 HD1 TYR A 192 -6.214 1.684 1.025 1.00 0.00 H new ATOM 0 HD2 TYR A 192 -4.418 -2.216 1.297 1.00 0.00 H new ATOM 0 HE1 TYR A 192 -7.521 1.223 3.078 1.00 0.00 H new ATOM 0 HE2 TYR A 192 -5.726 -2.669 3.358 1.00 0.00 H new ATOM 0 HH TYR A 192 -7.224 -1.898 4.833 1.00 0.00 H new ATOM 326 N LEU A 193 -6.033 1.793 -2.288 1.00 0.00 N ATOM 327 CA LEU A 193 -7.088 2.840 -2.474 1.00 0.00 C ATOM 328 C LEU A 193 -8.100 2.457 -3.577 1.00 0.00 C ATOM 329 O LEU A 193 -9.223 2.925 -3.573 1.00 0.00 O ATOM 330 CB LEU A 193 -6.416 4.177 -2.818 1.00 0.00 C ATOM 331 CG LEU A 193 -5.474 4.589 -1.669 1.00 0.00 C ATOM 332 CD1 LEU A 193 -4.686 5.845 -2.068 1.00 0.00 C ATOM 333 CD2 LEU A 193 -6.286 4.866 -0.378 1.00 0.00 C ATOM 0 H LEU A 193 -5.109 2.037 -2.644 1.00 0.00 H new ATOM 0 HA LEU A 193 -7.646 2.927 -1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -5.855 4.086 -3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -7.172 4.946 -2.976 1.00 0.00 H new ATOM 0 HG LEU A 193 -4.778 3.772 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -4.022 6.132 -1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -4.096 5.636 -2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -5.380 6.660 -2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -5.607 5.156 0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -6.996 5.672 -0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 193 -6.827 3.965 -0.088 1.00 0.00 H new ATOM 345 N ARG A 194 -7.744 1.615 -4.509 1.00 0.00 N ATOM 346 CA ARG A 194 -8.736 1.237 -5.568 1.00 0.00 C ATOM 347 C ARG A 194 -9.769 0.270 -4.958 1.00 0.00 C ATOM 348 O ARG A 194 -9.472 -0.445 -4.023 1.00 0.00 O ATOM 349 CB ARG A 194 -8.036 0.568 -6.775 1.00 0.00 C ATOM 350 CG ARG A 194 -7.492 1.624 -7.770 1.00 0.00 C ATOM 351 CD ARG A 194 -6.274 2.384 -7.207 1.00 0.00 C ATOM 352 NE ARG A 194 -6.265 3.791 -7.735 1.00 0.00 N ATOM 353 CZ ARG A 194 -6.443 4.044 -9.010 1.00 0.00 C ATOM 354 NH1 ARG A 194 -6.411 3.088 -9.897 1.00 0.00 N ATOM 355 NH2 ARG A 194 -6.583 5.274 -9.411 1.00 0.00 N ATOM 0 H ARG A 194 -6.826 1.176 -4.587 1.00 0.00 H new ATOM 0 HA ARG A 194 -9.231 2.139 -5.928 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -7.216 -0.057 -6.421 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -8.739 -0.088 -7.287 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -7.212 1.132 -8.702 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -8.282 2.335 -8.010 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -6.312 2.395 -6.118 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -5.353 1.874 -7.489 1.00 0.00 H new ATOM 0 HE ARG A 194 -6.117 4.566 -7.088 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -6.246 2.125 -9.603 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -6.551 3.303 -10.884 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -6.554 6.037 -8.735 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -6.722 5.475 -10.401 1.00 0.00 H new ATOM 369 N PRO A 195 -10.975 0.257 -5.474 1.00 0.00 N ATOM 370 CA PRO A 195 -12.070 -0.629 -4.957 1.00 0.00 C ATOM 371 C PRO A 195 -11.718 -2.124 -5.041 1.00 0.00 C ATOM 372 O PRO A 195 -12.502 -2.973 -4.662 1.00 0.00 O ATOM 373 CB PRO A 195 -13.277 -0.289 -5.859 1.00 0.00 C ATOM 374 CG PRO A 195 -12.678 0.330 -7.082 1.00 0.00 C ATOM 375 CD PRO A 195 -11.439 1.078 -6.603 1.00 0.00 C ATOM 0 HA PRO A 195 -12.261 -0.455 -3.898 1.00 0.00 H new ATOM 0 HB2 PRO A 195 -13.849 -1.183 -6.108 1.00 0.00 H new ATOM 0 HB3 PRO A 195 -13.961 0.399 -5.362 1.00 0.00 H new ATOM 0 HG2 PRO A 195 -12.416 -0.431 -7.817 1.00 0.00 H new ATOM 0 HG3 PRO A 195 -13.383 1.008 -7.563 1.00 0.00 H new ATOM 0 HD2 PRO A 195 -10.684 1.152 -7.386 1.00 0.00 H new ATOM 0 HD3 PRO A 195 -11.676 2.095 -6.292 1.00 0.00 H new ATOM 383 N GLU A 196 -10.550 -2.456 -5.526 1.00 0.00 N ATOM 384 CA GLU A 196 -10.171 -3.897 -5.615 1.00 0.00 C ATOM 385 C GLU A 196 -10.159 -4.503 -4.212 1.00 0.00 C ATOM 386 O GLU A 196 -10.595 -5.621 -4.002 1.00 0.00 O ATOM 387 CB GLU A 196 -8.782 -4.029 -6.259 1.00 0.00 C ATOM 388 CG GLU A 196 -8.362 -5.506 -6.328 1.00 0.00 C ATOM 389 CD GLU A 196 -9.336 -6.280 -7.223 1.00 0.00 C ATOM 390 OE1 GLU A 196 -10.008 -5.647 -8.019 1.00 0.00 O ATOM 391 OE2 GLU A 196 -9.391 -7.493 -7.099 1.00 0.00 O ATOM 0 H GLU A 196 -9.847 -1.797 -5.862 1.00 0.00 H new ATOM 0 HA GLU A 196 -10.896 -4.429 -6.231 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -8.797 -3.601 -7.261 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -8.051 -3.463 -5.682 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -7.349 -5.588 -6.721 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -8.351 -5.938 -5.327 1.00 0.00 H new ATOM 398 N LYS A 197 -9.674 -3.775 -3.247 1.00 0.00 N ATOM 399 CA LYS A 197 -9.647 -4.309 -1.862 1.00 0.00 C ATOM 400 C LYS A 197 -9.045 -5.716 -1.852 1.00 0.00 C ATOM 401 O LYS A 197 -9.692 -6.672 -1.481 1.00 0.00 O ATOM 402 CB LYS A 197 -11.074 -4.351 -1.308 1.00 0.00 C ATOM 403 CG LYS A 197 -11.078 -4.933 0.140 1.00 0.00 C ATOM 404 CD LYS A 197 -11.997 -6.163 0.221 1.00 0.00 C ATOM 405 CE LYS A 197 -13.456 -5.706 0.246 1.00 0.00 C ATOM 406 NZ LYS A 197 -14.344 -6.891 0.396 1.00 0.00 N ATOM 0 H LYS A 197 -9.296 -2.834 -3.359 1.00 0.00 H new ATOM 0 HA LYS A 197 -9.032 -3.660 -1.238 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -11.499 -3.347 -1.305 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -11.704 -4.962 -1.954 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -10.064 -5.209 0.431 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -11.415 -4.172 0.844 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -11.824 -6.817 -0.634 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -11.770 -6.742 1.116 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -13.617 -5.011 1.070 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -13.697 -5.172 -0.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -15.337 -6.581 0.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -14.197 -7.538 -0.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -14.120 -7.383 1.284 1.00 0.00 H new ATOM 420 N PRO A 198 -7.813 -5.847 -2.235 1.00 0.00 N ATOM 421 CA PRO A 198 -7.123 -7.160 -2.245 1.00 0.00 C ATOM 422 C PRO A 198 -6.687 -7.553 -0.830 1.00 0.00 C ATOM 423 O PRO A 198 -6.596 -6.719 0.049 1.00 0.00 O ATOM 424 CB PRO A 198 -5.908 -6.905 -3.133 1.00 0.00 C ATOM 425 CG PRO A 198 -5.579 -5.471 -2.892 1.00 0.00 C ATOM 426 CD PRO A 198 -6.927 -4.766 -2.694 1.00 0.00 C ATOM 0 HA PRO A 198 -7.753 -7.975 -2.602 1.00 0.00 H new ATOM 0 HB2 PRO A 198 -5.075 -7.556 -2.866 1.00 0.00 H new ATOM 0 HB3 PRO A 198 -6.135 -7.091 -4.183 1.00 0.00 H new ATOM 0 HG2 PRO A 198 -4.944 -5.357 -2.013 1.00 0.00 H new ATOM 0 HG3 PRO A 198 -5.035 -5.047 -3.736 1.00 0.00 H new ATOM 0 HD2 PRO A 198 -6.857 -3.964 -1.959 1.00 0.00 H new ATOM 0 HD3 PRO A 198 -7.286 -4.318 -3.621 1.00 0.00 H new ATOM 434 N ALA A 199 -6.408 -8.804 -0.598 1.00 0.00 N ATOM 435 CA ALA A 199 -5.973 -9.215 0.765 1.00 0.00 C ATOM 436 C ALA A 199 -4.631 -8.545 1.089 1.00 0.00 C ATOM 437 O ALA A 199 -3.758 -8.428 0.249 1.00 0.00 O ATOM 438 CB ALA A 199 -5.833 -10.741 0.823 1.00 0.00 C ATOM 0 H ALA A 199 -6.461 -9.555 -1.287 1.00 0.00 H new ATOM 0 HA ALA A 199 -6.715 -8.904 1.500 1.00 0.00 H new ATOM 0 HB1 ALA A 199 -5.514 -11.039 1.822 1.00 0.00 H new ATOM 0 HB2 ALA A 199 -6.793 -11.203 0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 199 -5.091 -11.066 0.093 1.00 0.00 H new ATOM 444 N PHE A 200 -4.467 -8.100 2.300 1.00 0.00 N ATOM 445 CA PHE A 200 -3.198 -7.431 2.683 1.00 0.00 C ATOM 446 C PHE A 200 -2.046 -8.414 2.482 1.00 0.00 C ATOM 447 O PHE A 200 -0.976 -8.054 2.032 1.00 0.00 O ATOM 448 CB PHE A 200 -3.272 -7.019 4.155 1.00 0.00 C ATOM 449 CG PHE A 200 -1.994 -6.323 4.562 1.00 0.00 C ATOM 450 CD1 PHE A 200 -1.694 -5.054 4.046 1.00 0.00 C ATOM 451 CD2 PHE A 200 -1.107 -6.944 5.452 1.00 0.00 C ATOM 452 CE1 PHE A 200 -0.509 -4.407 4.419 1.00 0.00 C ATOM 453 CE2 PHE A 200 0.079 -6.295 5.827 1.00 0.00 C ATOM 454 CZ PHE A 200 0.377 -5.028 5.310 1.00 0.00 C ATOM 0 H PHE A 200 -5.161 -8.171 3.044 1.00 0.00 H new ATOM 0 HA PHE A 200 -3.038 -6.545 2.068 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -4.123 -6.356 4.313 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -3.432 -7.898 4.780 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -2.377 -4.575 3.360 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -1.336 -7.922 5.849 1.00 0.00 H new ATOM 0 HE1 PHE A 200 -0.278 -3.430 4.020 1.00 0.00 H new ATOM 0 HE2 PHE A 200 0.762 -6.772 6.514 1.00 0.00 H new ATOM 0 HZ PHE A 200 1.290 -4.529 5.598 1.00 0.00 H new ATOM 464 N ARG A 201 -2.253 -9.656 2.820 1.00 0.00 N ATOM 465 CA ARG A 201 -1.167 -10.658 2.654 1.00 0.00 C ATOM 466 C ARG A 201 -0.868 -10.855 1.165 1.00 0.00 C ATOM 467 O ARG A 201 0.272 -10.937 0.762 1.00 0.00 O ATOM 468 CB ARG A 201 -1.613 -11.992 3.260 1.00 0.00 C ATOM 469 CG ARG A 201 -2.029 -11.791 4.743 1.00 0.00 C ATOM 470 CD ARG A 201 -3.567 -11.647 4.872 1.00 0.00 C ATOM 471 NE ARG A 201 -3.890 -10.601 5.895 1.00 0.00 N ATOM 472 CZ ARG A 201 -3.322 -10.600 7.076 1.00 0.00 C ATOM 473 NH1 ARG A 201 -2.552 -11.586 7.449 1.00 0.00 N ATOM 474 NH2 ARG A 201 -3.551 -9.616 7.905 1.00 0.00 N ATOM 0 H ARG A 201 -3.126 -10.019 3.203 1.00 0.00 H new ATOM 0 HA ARG A 201 -0.269 -10.304 3.160 1.00 0.00 H new ATOM 0 HB2 ARG A 201 -2.450 -12.397 2.691 1.00 0.00 H new ATOM 0 HB3 ARG A 201 -0.803 -12.718 3.197 1.00 0.00 H new ATOM 0 HG2 ARG A 201 -1.688 -12.638 5.338 1.00 0.00 H new ATOM 0 HG3 ARG A 201 -1.542 -10.902 5.144 1.00 0.00 H new ATOM 0 HD2 ARG A 201 -3.999 -11.374 3.909 1.00 0.00 H new ATOM 0 HD3 ARG A 201 -4.009 -12.601 5.160 1.00 0.00 H new ATOM 0 HE ARG A 201 -4.567 -9.873 5.667 1.00 0.00 H new ATOM 0 HH11 ARG A 201 -2.386 -12.370 6.818 1.00 0.00 H new ATOM 0 HH12 ARG A 201 -2.116 -11.572 8.371 1.00 0.00 H new ATOM 0 HH21 ARG A 201 -4.170 -8.853 7.632 1.00 0.00 H new ATOM 0 HH22 ARG A 201 -3.111 -9.611 8.825 1.00 0.00 H new ATOM 488 N LYS A 202 -1.886 -10.937 0.346 1.00 0.00 N ATOM 489 CA LYS A 202 -1.662 -11.150 -1.117 1.00 0.00 C ATOM 490 C LYS A 202 -1.099 -9.887 -1.774 1.00 0.00 C ATOM 491 O LYS A 202 -0.240 -9.956 -2.633 1.00 0.00 O ATOM 492 CB LYS A 202 -3.002 -11.485 -1.780 1.00 0.00 C ATOM 493 CG LYS A 202 -3.475 -12.872 -1.330 1.00 0.00 C ATOM 494 CD LYS A 202 -4.814 -13.210 -1.991 1.00 0.00 C ATOM 495 CE LYS A 202 -5.266 -14.602 -1.531 1.00 0.00 C ATOM 496 NZ LYS A 202 -5.453 -14.600 -0.049 1.00 0.00 N ATOM 0 H LYS A 202 -2.864 -10.866 0.627 1.00 0.00 H new ATOM 0 HA LYS A 202 -0.948 -11.964 -1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 202 -3.746 -10.734 -1.515 1.00 0.00 H new ATOM 0 HB3 LYS A 202 -2.897 -11.461 -2.865 1.00 0.00 H new ATOM 0 HG2 LYS A 202 -2.730 -13.623 -1.594 1.00 0.00 H new ATOM 0 HG3 LYS A 202 -3.580 -12.895 -0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 202 -5.563 -12.465 -1.724 1.00 0.00 H new ATOM 0 HD3 LYS A 202 -4.714 -13.187 -3.076 1.00 0.00 H new ATOM 0 HE2 LYS A 202 -6.198 -14.875 -2.026 1.00 0.00 H new ATOM 0 HE3 LYS A 202 -4.524 -15.349 -1.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 202 -6.064 -15.396 0.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 202 -4.529 -14.696 0.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 202 -5.897 -13.706 0.244 1.00 0.00 H new ATOM 510 N CYS A 203 -1.575 -8.733 -1.400 1.00 0.00 N ATOM 511 CA CYS A 203 -1.052 -7.493 -2.043 1.00 0.00 C ATOM 512 C CYS A 203 0.435 -7.379 -1.763 1.00 0.00 C ATOM 513 O CYS A 203 1.224 -7.135 -2.648 1.00 0.00 O ATOM 514 CB CYS A 203 -1.781 -6.263 -1.492 1.00 0.00 C ATOM 515 SG CYS A 203 -1.232 -5.924 0.198 1.00 0.00 S ATOM 0 H CYS A 203 -2.292 -8.593 -0.688 1.00 0.00 H new ATOM 0 HA CYS A 203 -1.221 -7.544 -3.119 1.00 0.00 H new ATOM 0 HB2 CYS A 203 -1.585 -5.399 -2.127 1.00 0.00 H new ATOM 0 HB3 CYS A 203 -2.858 -6.431 -1.506 1.00 0.00 H new ATOM 0 HG CYS A 203 -1.245 -7.026 0.888 1.00 0.00 H new ATOM 521 N TYR A 204 0.829 -7.552 -0.540 1.00 0.00 N ATOM 522 CA TYR A 204 2.273 -7.449 -0.218 1.00 0.00 C ATOM 523 C TYR A 204 3.051 -8.506 -1.011 1.00 0.00 C ATOM 524 O TYR A 204 4.099 -8.231 -1.556 1.00 0.00 O ATOM 525 CB TYR A 204 2.469 -7.666 1.280 1.00 0.00 C ATOM 526 CG TYR A 204 3.859 -7.221 1.677 1.00 0.00 C ATOM 527 CD1 TYR A 204 4.970 -8.019 1.376 1.00 0.00 C ATOM 528 CD2 TYR A 204 4.033 -6.012 2.357 1.00 0.00 C ATOM 529 CE1 TYR A 204 6.252 -7.599 1.753 1.00 0.00 C ATOM 530 CE2 TYR A 204 5.312 -5.599 2.735 1.00 0.00 C ATOM 531 CZ TYR A 204 6.420 -6.390 2.433 1.00 0.00 C ATOM 532 OH TYR A 204 7.680 -5.976 2.807 1.00 0.00 O ATOM 0 H TYR A 204 0.217 -7.760 0.249 1.00 0.00 H new ATOM 0 HA TYR A 204 2.644 -6.461 -0.489 1.00 0.00 H new ATOM 0 HB2 TYR A 204 1.722 -7.104 1.840 1.00 0.00 H new ATOM 0 HB3 TYR A 204 2.328 -8.718 1.527 1.00 0.00 H new ATOM 0 HD1 TYR A 204 4.839 -8.956 0.855 1.00 0.00 H new ATOM 0 HD2 TYR A 204 3.177 -5.397 2.590 1.00 0.00 H new ATOM 0 HE1 TYR A 204 7.111 -8.210 1.518 1.00 0.00 H new ATOM 0 HE2 TYR A 204 5.443 -4.666 3.262 1.00 0.00 H new ATOM 0 HH TYR A 204 7.606 -5.299 3.512 1.00 0.00 H new ATOM 542 N GLU A 205 2.549 -9.713 -1.086 1.00 0.00 N ATOM 543 CA GLU A 205 3.278 -10.769 -1.852 1.00 0.00 C ATOM 544 C GLU A 205 3.420 -10.329 -3.308 1.00 0.00 C ATOM 545 O GLU A 205 4.450 -10.509 -3.928 1.00 0.00 O ATOM 546 CB GLU A 205 2.491 -12.084 -1.793 1.00 0.00 C ATOM 547 CG GLU A 205 2.583 -12.686 -0.386 1.00 0.00 C ATOM 548 CD GLU A 205 4.007 -13.187 -0.131 1.00 0.00 C ATOM 549 OE1 GLU A 205 4.779 -13.222 -1.073 1.00 0.00 O ATOM 550 OE2 GLU A 205 4.298 -13.527 1.005 1.00 0.00 O ATOM 0 H GLU A 205 1.674 -10.011 -0.654 1.00 0.00 H new ATOM 0 HA GLU A 205 4.265 -10.918 -1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 205 1.448 -11.905 -2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 205 2.887 -12.788 -2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 205 2.312 -11.938 0.359 1.00 0.00 H new ATOM 0 HG3 GLU A 205 1.874 -13.508 -0.285 1.00 0.00 H new ATOM 557 N ARG A 206 2.397 -9.743 -3.857 1.00 0.00 N ATOM 558 CA ARG A 206 2.480 -9.285 -5.265 1.00 0.00 C ATOM 559 C ARG A 206 3.598 -8.242 -5.370 1.00 0.00 C ATOM 560 O ARG A 206 4.356 -8.215 -6.316 1.00 0.00 O ATOM 561 CB ARG A 206 1.131 -8.680 -5.681 1.00 0.00 C ATOM 562 CG ARG A 206 1.106 -8.432 -7.192 1.00 0.00 C ATOM 563 CD ARG A 206 -0.219 -7.760 -7.583 1.00 0.00 C ATOM 564 NE ARG A 206 -0.471 -7.981 -9.041 1.00 0.00 N ATOM 565 CZ ARG A 206 0.417 -7.657 -9.941 1.00 0.00 C ATOM 566 NH1 ARG A 206 1.458 -6.932 -9.626 1.00 0.00 N ATOM 567 NH2 ARG A 206 0.243 -8.026 -11.178 1.00 0.00 N ATOM 0 H ARG A 206 1.508 -9.562 -3.391 1.00 0.00 H new ATOM 0 HA ARG A 206 2.703 -10.119 -5.930 1.00 0.00 H new ATOM 0 HB2 ARG A 206 0.321 -9.354 -5.402 1.00 0.00 H new ATOM 0 HB3 ARG A 206 0.964 -7.744 -5.149 1.00 0.00 H new ATOM 0 HG2 ARG A 206 1.945 -7.799 -7.481 1.00 0.00 H new ATOM 0 HG3 ARG A 206 1.219 -9.375 -7.727 1.00 0.00 H new ATOM 0 HD2 ARG A 206 -1.038 -8.173 -6.994 1.00 0.00 H new ATOM 0 HD3 ARG A 206 -0.177 -6.693 -7.367 1.00 0.00 H new ATOM 0 HE ARG A 206 -1.355 -8.394 -9.338 1.00 0.00 H new ATOM 0 HH11 ARG A 206 1.585 -6.612 -8.666 1.00 0.00 H new ATOM 0 HH12 ARG A 206 2.144 -6.687 -10.340 1.00 0.00 H new ATOM 0 HH21 ARG A 206 -0.583 -8.565 -11.438 1.00 0.00 H new ATOM 0 HH22 ARG A 206 0.933 -7.776 -11.887 1.00 0.00 H new ATOM 581 N LEU A 207 3.703 -7.382 -4.395 1.00 0.00 N ATOM 582 CA LEU A 207 4.766 -6.343 -4.424 1.00 0.00 C ATOM 583 C LEU A 207 6.141 -7.014 -4.420 1.00 0.00 C ATOM 584 O LEU A 207 7.066 -6.563 -5.068 1.00 0.00 O ATOM 585 CB LEU A 207 4.622 -5.442 -3.197 1.00 0.00 C ATOM 586 CG LEU A 207 5.693 -4.336 -3.213 1.00 0.00 C ATOM 587 CD1 LEU A 207 5.416 -3.349 -4.355 1.00 0.00 C ATOM 588 CD2 LEU A 207 5.642 -3.577 -1.892 1.00 0.00 C ATOM 0 H LEU A 207 3.095 -7.356 -3.577 1.00 0.00 H new ATOM 0 HA LEU A 207 4.668 -5.742 -5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 207 3.628 -4.994 -3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 207 4.718 -6.036 -2.288 1.00 0.00 H new ATOM 0 HG LEU A 207 6.673 -4.791 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 207 6.180 -2.571 -4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 207 5.436 -3.879 -5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 207 4.435 -2.895 -4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 207 6.398 -2.791 -1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 207 4.655 -3.131 -1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 207 5.837 -4.265 -1.069 1.00 0.00 H new ATOM 600 N GLU A 208 6.292 -8.076 -3.675 1.00 0.00 N ATOM 601 CA GLU A 208 7.615 -8.746 -3.614 1.00 0.00 C ATOM 602 C GLU A 208 8.027 -9.170 -5.022 1.00 0.00 C ATOM 603 O GLU A 208 9.166 -9.013 -5.407 1.00 0.00 O ATOM 604 CB GLU A 208 7.523 -9.978 -2.718 1.00 0.00 C ATOM 605 CG GLU A 208 7.379 -9.547 -1.253 1.00 0.00 C ATOM 606 CD GLU A 208 7.375 -10.786 -0.356 1.00 0.00 C ATOM 607 OE1 GLU A 208 8.453 -11.246 -0.019 1.00 0.00 O ATOM 608 OE2 GLU A 208 6.298 -11.256 -0.024 1.00 0.00 O ATOM 0 H GLU A 208 5.558 -8.504 -3.110 1.00 0.00 H new ATOM 0 HA GLU A 208 8.355 -8.058 -3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 208 6.670 -10.590 -3.012 1.00 0.00 H new ATOM 0 HB3 GLU A 208 8.414 -10.594 -2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 208 8.200 -8.886 -0.975 1.00 0.00 H new ATOM 0 HG3 GLU A 208 6.456 -8.984 -1.117 1.00 0.00 H new ATOM 615 N LEU A 209 7.121 -9.666 -5.817 1.00 0.00 N ATOM 616 CA LEU A 209 7.516 -10.033 -7.199 1.00 0.00 C ATOM 617 C LEU A 209 7.961 -8.753 -7.922 1.00 0.00 C ATOM 618 O LEU A 209 8.946 -8.736 -8.634 1.00 0.00 O ATOM 619 CB LEU A 209 6.319 -10.647 -7.920 1.00 0.00 C ATOM 620 CG LEU A 209 6.232 -12.153 -7.610 1.00 0.00 C ATOM 621 CD1 LEU A 209 7.384 -12.932 -8.292 1.00 0.00 C ATOM 622 CD2 LEU A 209 6.292 -12.379 -6.095 1.00 0.00 C ATOM 0 H LEU A 209 6.144 -9.830 -5.574 1.00 0.00 H new ATOM 0 HA LEU A 209 8.329 -10.758 -7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 209 5.401 -10.149 -7.607 1.00 0.00 H new ATOM 0 HB3 LEU A 209 6.414 -10.494 -8.995 1.00 0.00 H new ATOM 0 HG LEU A 209 5.284 -12.523 -8.001 1.00 0.00 H new ATOM 0 HD11 LEU A 209 7.296 -13.992 -8.055 1.00 0.00 H new ATOM 0 HD12 LEU A 209 7.326 -12.795 -9.372 1.00 0.00 H new ATOM 0 HD13 LEU A 209 8.341 -12.557 -7.930 1.00 0.00 H new ATOM 0 HD21 LEU A 209 6.230 -13.447 -5.884 1.00 0.00 H new ATOM 0 HD22 LEU A 209 7.231 -11.986 -5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 209 5.458 -11.865 -5.617 1.00 0.00 H new ATOM 634 N ALA A 210 7.235 -7.678 -7.733 1.00 0.00 N ATOM 635 CA ALA A 210 7.601 -6.391 -8.398 1.00 0.00 C ATOM 636 C ALA A 210 8.956 -5.894 -7.873 1.00 0.00 C ATOM 637 O ALA A 210 9.783 -5.408 -8.618 1.00 0.00 O ATOM 638 CB ALA A 210 6.530 -5.345 -8.083 1.00 0.00 C ATOM 0 H ALA A 210 6.403 -7.638 -7.145 1.00 0.00 H new ATOM 0 HA ALA A 210 7.669 -6.549 -9.474 1.00 0.00 H new ATOM 0 HB1 ALA A 210 6.789 -4.402 -8.565 1.00 0.00 H new ATOM 0 HB2 ALA A 210 5.565 -5.689 -8.455 1.00 0.00 H new ATOM 0 HB3 ALA A 210 6.472 -5.197 -7.005 1.00 0.00 H new ATOM 644 N ALA A 211 9.176 -6.010 -6.589 1.00 0.00 N ATOM 645 CA ALA A 211 10.462 -5.548 -5.985 1.00 0.00 C ATOM 646 C ALA A 211 11.636 -6.295 -6.608 1.00 0.00 C ATOM 647 O ALA A 211 12.673 -5.719 -6.859 1.00 0.00 O ATOM 648 CB ALA A 211 10.434 -5.797 -4.476 1.00 0.00 C ATOM 0 H ALA A 211 8.512 -6.410 -5.926 1.00 0.00 H new ATOM 0 HA ALA A 211 10.583 -4.482 -6.177 1.00 0.00 H new ATOM 0 HB1 ALA A 211 11.372 -5.460 -4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 211 9.605 -5.246 -4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 211 10.305 -6.862 -4.285 1.00 0.00 H new ATOM 654 N ARG A 212 11.501 -7.570 -6.856 1.00 0.00 N ATOM 655 CA ARG A 212 12.645 -8.316 -7.462 1.00 0.00 C ATOM 656 C ARG A 212 12.849 -7.838 -8.903 1.00 0.00 C ATOM 657 O ARG A 212 13.961 -7.660 -9.363 1.00 0.00 O ATOM 658 CB ARG A 212 12.345 -9.820 -7.449 1.00 0.00 C ATOM 659 CG ARG A 212 13.559 -10.599 -7.963 1.00 0.00 C ATOM 660 CD ARG A 212 13.253 -12.097 -7.924 1.00 0.00 C ATOM 661 NE ARG A 212 12.211 -12.412 -8.936 1.00 0.00 N ATOM 662 CZ ARG A 212 12.001 -13.651 -9.285 1.00 0.00 C ATOM 663 NH1 ARG A 212 12.716 -14.606 -8.759 1.00 0.00 N ATOM 664 NH2 ARG A 212 11.076 -13.937 -10.161 1.00 0.00 N ATOM 0 H ARG A 212 10.663 -8.121 -6.670 1.00 0.00 H new ATOM 0 HA ARG A 212 13.551 -8.131 -6.886 1.00 0.00 H new ATOM 0 HB2 ARG A 212 12.098 -10.141 -6.437 1.00 0.00 H new ATOM 0 HB3 ARG A 212 11.476 -10.032 -8.072 1.00 0.00 H new ATOM 0 HG2 ARG A 212 13.798 -10.292 -8.981 1.00 0.00 H new ATOM 0 HG3 ARG A 212 14.433 -10.379 -7.350 1.00 0.00 H new ATOM 0 HD2 ARG A 212 14.158 -12.670 -8.126 1.00 0.00 H new ATOM 0 HD3 ARG A 212 12.910 -12.384 -6.930 1.00 0.00 H new ATOM 0 HE ARG A 212 11.662 -11.662 -9.356 1.00 0.00 H new ATOM 0 HH11 ARG A 212 13.439 -14.384 -8.075 1.00 0.00 H new ATOM 0 HH12 ARG A 212 12.552 -15.575 -9.032 1.00 0.00 H new ATOM 0 HH21 ARG A 212 10.516 -13.191 -10.574 1.00 0.00 H new ATOM 0 HH22 ARG A 212 10.913 -14.907 -10.433 1.00 0.00 H new ATOM 678 N GLU A 213 11.784 -7.616 -9.619 1.00 0.00 N ATOM 679 CA GLU A 213 11.919 -7.140 -11.027 1.00 0.00 C ATOM 680 C GLU A 213 12.590 -5.753 -11.060 1.00 0.00 C ATOM 681 O GLU A 213 13.540 -5.526 -11.785 1.00 0.00 O ATOM 682 CB GLU A 213 10.517 -7.059 -11.650 1.00 0.00 C ATOM 683 CG GLU A 213 10.612 -6.573 -13.097 1.00 0.00 C ATOM 684 CD GLU A 213 9.209 -6.518 -13.708 1.00 0.00 C ATOM 685 OE1 GLU A 213 8.645 -7.573 -13.949 1.00 0.00 O ATOM 686 OE2 GLU A 213 8.720 -5.421 -13.923 1.00 0.00 O ATOM 0 H GLU A 213 10.826 -7.743 -9.293 1.00 0.00 H new ATOM 0 HA GLU A 213 12.541 -7.834 -11.593 1.00 0.00 H new ATOM 0 HB2 GLU A 213 10.039 -8.038 -11.618 1.00 0.00 H new ATOM 0 HB3 GLU A 213 9.892 -6.380 -11.070 1.00 0.00 H new ATOM 0 HG2 GLU A 213 11.075 -5.587 -13.131 1.00 0.00 H new ATOM 0 HG3 GLU A 213 11.247 -7.243 -13.676 1.00 0.00 H new ATOM 693 N HIS A 214 12.095 -4.826 -10.281 1.00 0.00 N ATOM 694 CA HIS A 214 12.682 -3.450 -10.261 1.00 0.00 C ATOM 695 C HIS A 214 13.869 -3.392 -9.296 1.00 0.00 C ATOM 696 O HIS A 214 14.763 -2.584 -9.444 1.00 0.00 O ATOM 697 CB HIS A 214 11.610 -2.463 -9.797 1.00 0.00 C ATOM 698 CG HIS A 214 10.515 -2.402 -10.829 1.00 0.00 C ATOM 699 ND1 HIS A 214 10.650 -1.691 -12.012 1.00 0.00 N ATOM 700 CD2 HIS A 214 9.260 -2.955 -10.866 1.00 0.00 C ATOM 701 CE1 HIS A 214 9.504 -1.833 -12.706 1.00 0.00 C ATOM 702 NE2 HIS A 214 8.623 -2.596 -12.052 1.00 0.00 N ATOM 0 H HIS A 214 11.303 -4.963 -9.653 1.00 0.00 H new ATOM 0 HA HIS A 214 13.028 -3.193 -11.262 1.00 0.00 H new ATOM 0 HB2 HIS A 214 11.203 -2.775 -8.835 1.00 0.00 H new ATOM 0 HB3 HIS A 214 12.046 -1.475 -9.653 1.00 0.00 H new ATOM 0 HD2 HIS A 214 8.831 -3.575 -10.093 1.00 0.00 H new ATOM 0 HE1 HIS A 214 9.320 -1.386 -13.672 1.00 0.00 H new ATOM 0 HE2 HIS A 214 7.686 -2.859 -12.356 1.00 0.00 H new ATOM 710 N GLY A 215 13.873 -4.227 -8.297 1.00 0.00 N ATOM 711 CA GLY A 215 14.993 -4.206 -7.307 1.00 0.00 C ATOM 712 C GLY A 215 14.692 -3.143 -6.248 1.00 0.00 C ATOM 713 O GLY A 215 15.483 -2.251 -6.006 1.00 0.00 O ATOM 0 H GLY A 215 13.151 -4.925 -8.120 1.00 0.00 H new ATOM 0 HA2 GLY A 215 15.103 -5.185 -6.840 1.00 0.00 H new ATOM 0 HA3 GLY A 215 15.936 -3.984 -7.807 1.00 0.00 H new ATOM 717 N TRP A 216 13.540 -3.217 -5.628 1.00 0.00 N ATOM 718 CA TRP A 216 13.165 -2.193 -4.599 1.00 0.00 C ATOM 719 C TRP A 216 13.389 -2.733 -3.190 1.00 0.00 C ATOM 720 O TRP A 216 13.184 -3.898 -2.916 1.00 0.00 O ATOM 721 CB TRP A 216 11.668 -1.873 -4.681 1.00 0.00 C ATOM 722 CG TRP A 216 11.285 -1.163 -5.942 1.00 0.00 C ATOM 723 CD1 TRP A 216 12.007 -0.217 -6.592 1.00 0.00 C ATOM 724 CD2 TRP A 216 10.051 -1.320 -6.690 1.00 0.00 C ATOM 725 NE1 TRP A 216 11.284 0.207 -7.693 1.00 0.00 N ATOM 726 CE2 TRP A 216 10.071 -0.449 -7.797 1.00 0.00 C ATOM 727 CE3 TRP A 216 8.929 -2.139 -6.508 1.00 0.00 C ATOM 728 CZ2 TRP A 216 9.001 -0.392 -8.697 1.00 0.00 C ATOM 729 CZ3 TRP A 216 7.854 -2.085 -7.407 1.00 0.00 C ATOM 730 CH2 TRP A 216 7.889 -1.213 -8.498 1.00 0.00 C ATOM 0 H TRP A 216 12.841 -3.942 -5.789 1.00 0.00 H new ATOM 0 HA TRP A 216 13.780 -1.314 -4.794 1.00 0.00 H new ATOM 0 HB2 TRP A 216 11.100 -2.801 -4.607 1.00 0.00 H new ATOM 0 HB3 TRP A 216 11.387 -1.258 -3.826 1.00 0.00 H new ATOM 0 HD1 TRP A 216 12.982 0.145 -6.300 1.00 0.00 H new ATOM 0 HE1 TRP A 216 11.607 0.918 -8.349 1.00 0.00 H new ATOM 0 HE3 TRP A 216 8.892 -2.817 -5.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 9.035 0.282 -9.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 6.994 -2.721 -7.255 1.00 0.00 H new ATOM 0 HH2 TRP A 216 7.058 -1.174 -9.186 1.00 0.00 H new ATOM 741 N SER A 217 13.730 -1.861 -2.279 1.00 0.00 N ATOM 742 CA SER A 217 13.881 -2.278 -0.855 1.00 0.00 C ATOM 743 C SER A 217 12.512 -2.107 -0.195 1.00 0.00 C ATOM 744 O SER A 217 12.064 -0.999 0.026 1.00 0.00 O ATOM 745 CB SER A 217 14.892 -1.377 -0.149 1.00 0.00 C ATOM 746 OG SER A 217 15.998 -1.140 -1.008 1.00 0.00 O ATOM 0 H SER A 217 13.911 -0.874 -2.461 1.00 0.00 H new ATOM 0 HA SER A 217 14.232 -3.308 -0.791 1.00 0.00 H new ATOM 0 HB2 SER A 217 14.423 -0.432 0.126 1.00 0.00 H new ATOM 0 HB3 SER A 217 15.230 -1.846 0.775 1.00 0.00 H new ATOM 0 HG SER A 217 16.646 -0.560 -0.555 1.00 0.00 H new ATOM 752 N ILE A 218 11.825 -3.176 0.092 1.00 0.00 N ATOM 753 CA ILE A 218 10.465 -3.036 0.697 1.00 0.00 C ATOM 754 C ILE A 218 10.547 -2.999 2.228 1.00 0.00 C ATOM 755 O ILE A 218 11.396 -3.633 2.822 1.00 0.00 O ATOM 756 CB ILE A 218 9.601 -4.227 0.263 1.00 0.00 C ATOM 757 CG1 ILE A 218 10.109 -5.521 0.930 1.00 0.00 C ATOM 758 CG2 ILE A 218 9.674 -4.367 -1.259 1.00 0.00 C ATOM 759 CD1 ILE A 218 9.446 -6.748 0.292 1.00 0.00 C ATOM 0 H ILE A 218 12.139 -4.134 -0.063 1.00 0.00 H new ATOM 0 HA ILE A 218 10.023 -2.101 0.353 1.00 0.00 H new ATOM 0 HB ILE A 218 8.569 -4.058 0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 218 11.192 -5.590 0.826 1.00 0.00 H new ATOM 0 HG13 ILE A 218 9.892 -5.497 1.998 1.00 0.00 H new ATOM 0 HG21 ILE A 218 9.062 -5.212 -1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 218 9.303 -3.455 -1.726 1.00 0.00 H new ATOM 0 HG23 ILE A 218 10.708 -4.535 -1.560 1.00 0.00 H new ATOM 0 HD11 ILE A 218 9.815 -7.653 0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 218 8.365 -6.685 0.419 1.00 0.00 H new ATOM 0 HD13 ILE A 218 9.686 -6.780 -0.771 1.00 0.00 H new ATOM 771 N PRO A 219 9.649 -2.279 2.868 1.00 0.00 N ATOM 772 CA PRO A 219 9.615 -2.192 4.349 1.00 0.00 C ATOM 773 C PRO A 219 9.167 -3.515 4.958 1.00 0.00 C ATOM 774 O PRO A 219 8.496 -4.305 4.324 1.00 0.00 O ATOM 775 CB PRO A 219 8.595 -1.079 4.631 1.00 0.00 C ATOM 776 CG PRO A 219 7.690 -1.097 3.450 1.00 0.00 C ATOM 777 CD PRO A 219 8.572 -1.475 2.262 1.00 0.00 C ATOM 0 HA PRO A 219 10.593 -1.981 4.782 1.00 0.00 H new ATOM 0 HB2 PRO A 219 8.047 -1.267 5.554 1.00 0.00 H new ATOM 0 HB3 PRO A 219 9.084 -0.111 4.742 1.00 0.00 H new ATOM 0 HG2 PRO A 219 6.884 -1.818 3.585 1.00 0.00 H new ATOM 0 HG3 PRO A 219 7.224 -0.123 3.298 1.00 0.00 H new ATOM 0 HD2 PRO A 219 8.017 -2.045 1.517 1.00 0.00 H new ATOM 0 HD3 PRO A 219 8.966 -0.592 1.759 1.00 0.00 H new ATOM 785 N SER A 220 9.532 -3.762 6.174 1.00 0.00 N ATOM 786 CA SER A 220 9.132 -5.032 6.822 1.00 0.00 C ATOM 787 C SER A 220 7.602 -5.125 6.838 1.00 0.00 C ATOM 788 O SER A 220 6.914 -4.129 6.910 1.00 0.00 O ATOM 789 CB SER A 220 9.670 -5.044 8.254 1.00 0.00 C ATOM 790 OG SER A 220 9.379 -6.296 8.856 1.00 0.00 O ATOM 0 H SER A 220 10.093 -3.137 6.752 1.00 0.00 H new ATOM 0 HA SER A 220 9.537 -5.882 6.274 1.00 0.00 H new ATOM 0 HB2 SER A 220 10.746 -4.871 8.251 1.00 0.00 H new ATOM 0 HB3 SER A 220 9.218 -4.237 8.831 1.00 0.00 H new ATOM 0 HG SER A 220 9.724 -6.306 9.773 1.00 0.00 H new ATOM 796 N ARG A 221 7.063 -6.307 6.760 1.00 0.00 N ATOM 797 CA ARG A 221 5.576 -6.448 6.769 1.00 0.00 C ATOM 798 C ARG A 221 5.020 -5.683 7.972 1.00 0.00 C ATOM 799 O ARG A 221 4.022 -4.997 7.871 1.00 0.00 O ATOM 800 CB ARG A 221 5.212 -7.932 6.896 1.00 0.00 C ATOM 801 CG ARG A 221 5.789 -8.703 5.707 1.00 0.00 C ATOM 802 CD ARG A 221 5.459 -10.195 5.835 1.00 0.00 C ATOM 803 NE ARG A 221 6.413 -10.995 4.998 1.00 0.00 N ATOM 804 CZ ARG A 221 6.608 -10.720 3.732 1.00 0.00 C ATOM 805 NH1 ARG A 221 5.859 -9.855 3.101 1.00 0.00 N ATOM 806 NH2 ARG A 221 7.526 -11.357 3.074 1.00 0.00 N ATOM 0 H ARG A 221 7.583 -7.182 6.690 1.00 0.00 H new ATOM 0 HA ARG A 221 5.154 -6.049 5.847 1.00 0.00 H new ATOM 0 HB2 ARG A 221 5.605 -8.335 7.829 1.00 0.00 H new ATOM 0 HB3 ARG A 221 4.129 -8.050 6.929 1.00 0.00 H new ATOM 0 HG2 ARG A 221 5.379 -8.311 4.776 1.00 0.00 H new ATOM 0 HG3 ARG A 221 6.869 -8.564 5.663 1.00 0.00 H new ATOM 0 HD2 ARG A 221 5.527 -10.505 6.878 1.00 0.00 H new ATOM 0 HD3 ARG A 221 4.434 -10.380 5.513 1.00 0.00 H new ATOM 0 HE ARG A 221 6.921 -11.770 5.424 1.00 0.00 H new ATOM 0 HH11 ARG A 221 5.104 -9.378 3.594 1.00 0.00 H new ATOM 0 HH12 ARG A 221 6.029 -9.657 2.115 1.00 0.00 H new ATOM 0 HH21 ARG A 221 8.090 -12.066 3.542 1.00 0.00 H new ATOM 0 HH22 ARG A 221 7.684 -11.149 2.088 1.00 0.00 H new ATOM 820 N ALA A 222 5.668 -5.769 9.103 1.00 0.00 N ATOM 821 CA ALA A 222 5.173 -5.013 10.290 1.00 0.00 C ATOM 822 C ALA A 222 5.345 -3.514 10.023 1.00 0.00 C ATOM 823 O ALA A 222 4.502 -2.703 10.357 1.00 0.00 O ATOM 824 CB ALA A 222 5.973 -5.391 11.540 1.00 0.00 C ATOM 0 H ALA A 222 6.510 -6.324 9.256 1.00 0.00 H new ATOM 0 HA ALA A 222 4.124 -5.257 10.457 1.00 0.00 H new ATOM 0 HB1 ALA A 222 5.598 -4.830 12.396 1.00 0.00 H new ATOM 0 HB2 ALA A 222 5.866 -6.459 11.731 1.00 0.00 H new ATOM 0 HB3 ALA A 222 7.025 -5.154 11.384 1.00 0.00 H new ATOM 830 N THR A 223 6.442 -3.147 9.420 1.00 0.00 N ATOM 831 CA THR A 223 6.704 -1.712 9.115 1.00 0.00 C ATOM 832 C THR A 223 5.656 -1.194 8.122 1.00 0.00 C ATOM 833 O THR A 223 5.207 -0.073 8.219 1.00 0.00 O ATOM 834 CB THR A 223 8.121 -1.571 8.528 1.00 0.00 C ATOM 835 OG1 THR A 223 9.071 -1.937 9.522 1.00 0.00 O ATOM 836 CG2 THR A 223 8.385 -0.127 8.072 1.00 0.00 C ATOM 0 H THR A 223 7.177 -3.788 9.122 1.00 0.00 H new ATOM 0 HA THR A 223 6.636 -1.121 10.028 1.00 0.00 H new ATOM 0 HB THR A 223 8.210 -2.225 7.661 1.00 0.00 H new ATOM 0 HG1 THR A 223 9.976 -1.852 9.156 1.00 0.00 H new ATOM 0 HG21 THR A 223 9.392 -0.053 7.661 1.00 0.00 H new ATOM 0 HG22 THR A 223 7.660 0.151 7.307 1.00 0.00 H new ATOM 0 HG23 THR A 223 8.290 0.547 8.924 1.00 0.00 H new ATOM 844 N ALA A 224 5.285 -1.979 7.151 1.00 0.00 N ATOM 845 CA ALA A 224 4.285 -1.493 6.150 1.00 0.00 C ATOM 846 C ALA A 224 2.945 -1.169 6.823 1.00 0.00 C ATOM 847 O ALA A 224 2.441 -0.069 6.730 1.00 0.00 O ATOM 848 CB ALA A 224 4.060 -2.585 5.097 1.00 0.00 C ATOM 0 H ALA A 224 5.625 -2.929 7.004 1.00 0.00 H new ATOM 0 HA ALA A 224 4.672 -0.585 5.687 1.00 0.00 H new ATOM 0 HB1 ALA A 224 3.332 -2.239 4.363 1.00 0.00 H new ATOM 0 HB2 ALA A 224 5.002 -2.807 4.596 1.00 0.00 H new ATOM 0 HB3 ALA A 224 3.685 -3.486 5.582 1.00 0.00 H new ATOM 854 N PHE A 225 2.359 -2.120 7.478 1.00 0.00 N ATOM 855 CA PHE A 225 1.035 -1.881 8.118 1.00 0.00 C ATOM 856 C PHE A 225 1.101 -0.752 9.150 1.00 0.00 C ATOM 857 O PHE A 225 0.188 0.043 9.260 1.00 0.00 O ATOM 858 CB PHE A 225 0.556 -3.169 8.794 1.00 0.00 C ATOM 859 CG PHE A 225 -0.771 -2.905 9.473 1.00 0.00 C ATOM 860 CD1 PHE A 225 -1.890 -2.539 8.714 1.00 0.00 C ATOM 861 CD2 PHE A 225 -0.877 -3.006 10.865 1.00 0.00 C ATOM 862 CE1 PHE A 225 -3.111 -2.278 9.349 1.00 0.00 C ATOM 863 CE2 PHE A 225 -2.097 -2.748 11.497 1.00 0.00 C ATOM 864 CZ PHE A 225 -3.213 -2.383 10.741 1.00 0.00 C ATOM 0 H PHE A 225 2.737 -3.059 7.602 1.00 0.00 H new ATOM 0 HA PHE A 225 0.333 -1.581 7.340 1.00 0.00 H new ATOM 0 HB2 PHE A 225 0.450 -3.964 8.056 1.00 0.00 H new ATOM 0 HB3 PHE A 225 1.292 -3.507 9.524 1.00 0.00 H new ATOM 0 HD1 PHE A 225 -1.811 -2.458 7.640 1.00 0.00 H new ATOM 0 HD2 PHE A 225 -0.014 -3.284 11.452 1.00 0.00 H new ATOM 0 HE1 PHE A 225 -3.974 -1.996 8.764 1.00 0.00 H new ATOM 0 HE2 PHE A 225 -2.176 -2.831 12.571 1.00 0.00 H new ATOM 0 HZ PHE A 225 -4.155 -2.182 11.230 1.00 0.00 H new ATOM 874 N ARG A 226 2.143 -0.670 9.923 1.00 0.00 N ATOM 875 CA ARG A 226 2.197 0.412 10.946 1.00 0.00 C ATOM 876 C ARG A 226 2.052 1.767 10.247 1.00 0.00 C ATOM 877 O ARG A 226 1.367 2.652 10.724 1.00 0.00 O ATOM 878 CB ARG A 226 3.540 0.352 11.681 1.00 0.00 C ATOM 879 CG ARG A 226 3.547 1.380 12.810 1.00 0.00 C ATOM 880 CD ARG A 226 4.887 1.317 13.542 1.00 0.00 C ATOM 881 NE ARG A 226 4.859 2.213 14.749 1.00 0.00 N ATOM 882 CZ ARG A 226 4.642 3.501 14.652 1.00 0.00 C ATOM 883 NH1 ARG A 226 4.550 4.073 13.482 1.00 0.00 N ATOM 884 NH2 ARG A 226 4.554 4.225 15.735 1.00 0.00 N ATOM 0 H ARG A 226 2.950 -1.294 9.895 1.00 0.00 H new ATOM 0 HA ARG A 226 1.388 0.283 11.665 1.00 0.00 H new ATOM 0 HB2 ARG A 226 3.702 -0.648 12.084 1.00 0.00 H new ATOM 0 HB3 ARG A 226 4.356 0.552 10.987 1.00 0.00 H new ATOM 0 HG2 ARG A 226 3.386 2.380 12.408 1.00 0.00 H new ATOM 0 HG3 ARG A 226 2.731 1.180 13.504 1.00 0.00 H new ATOM 0 HD2 ARG A 226 5.096 0.291 13.846 1.00 0.00 H new ATOM 0 HD3 ARG A 226 5.691 1.622 12.872 1.00 0.00 H new ATOM 0 HE ARG A 226 5.014 1.806 15.671 1.00 0.00 H new ATOM 0 HH11 ARG A 226 4.647 3.516 12.633 1.00 0.00 H new ATOM 0 HH12 ARG A 226 4.381 5.077 13.417 1.00 0.00 H new ATOM 0 HH21 ARG A 226 4.654 3.787 16.651 1.00 0.00 H new ATOM 0 HH22 ARG A 226 4.385 5.229 15.665 1.00 0.00 H new ATOM 898 N ARG A 227 2.673 1.928 9.114 1.00 0.00 N ATOM 899 CA ARG A 227 2.552 3.211 8.366 1.00 0.00 C ATOM 900 C ARG A 227 1.129 3.356 7.790 1.00 0.00 C ATOM 901 O ARG A 227 0.603 4.447 7.691 1.00 0.00 O ATOM 902 CB ARG A 227 3.585 3.241 7.239 1.00 0.00 C ATOM 903 CG ARG A 227 5.002 3.330 7.831 1.00 0.00 C ATOM 904 CD ARG A 227 5.176 4.633 8.637 1.00 0.00 C ATOM 905 NE ARG A 227 6.569 5.143 8.473 1.00 0.00 N ATOM 906 CZ ARG A 227 7.603 4.362 8.642 1.00 0.00 C ATOM 907 NH1 ARG A 227 7.454 3.163 9.139 1.00 0.00 N ATOM 908 NH2 ARG A 227 8.795 4.811 8.355 1.00 0.00 N ATOM 0 H ARG A 227 3.262 1.223 8.671 1.00 0.00 H new ATOM 0 HA ARG A 227 2.737 4.044 9.044 1.00 0.00 H new ATOM 0 HB2 ARG A 227 3.493 2.345 6.626 1.00 0.00 H new ATOM 0 HB3 ARG A 227 3.400 4.094 6.586 1.00 0.00 H new ATOM 0 HG2 ARG A 227 5.187 2.471 8.476 1.00 0.00 H new ATOM 0 HG3 ARG A 227 5.739 3.291 7.029 1.00 0.00 H new ATOM 0 HD2 ARG A 227 4.462 5.382 8.295 1.00 0.00 H new ATOM 0 HD3 ARG A 227 4.967 4.451 9.691 1.00 0.00 H new ATOM 0 HE ARG A 227 6.717 6.121 8.224 1.00 0.00 H new ATOM 0 HH11 ARG A 227 6.525 2.830 9.398 1.00 0.00 H new ATOM 0 HH12 ARG A 227 8.266 2.560 9.268 1.00 0.00 H new ATOM 0 HH21 ARG A 227 8.911 5.761 8.003 1.00 0.00 H new ATOM 0 HH22 ARG A 227 9.610 4.211 8.483 1.00 0.00 H new ATOM 922 N ILE A 228 0.507 2.270 7.391 1.00 0.00 N ATOM 923 CA ILE A 228 -0.871 2.366 6.804 1.00 0.00 C ATOM 924 C ILE A 228 -1.863 2.909 7.834 1.00 0.00 C ATOM 925 O ILE A 228 -2.638 3.798 7.540 1.00 0.00 O ATOM 926 CB ILE A 228 -1.370 0.982 6.369 1.00 0.00 C ATOM 927 CG1 ILE A 228 -0.418 0.374 5.318 1.00 0.00 C ATOM 928 CG2 ILE A 228 -2.782 1.122 5.779 1.00 0.00 C ATOM 929 CD1 ILE A 228 -0.749 0.880 3.902 1.00 0.00 C ATOM 0 H ILE A 228 0.891 1.326 7.446 1.00 0.00 H new ATOM 0 HA ILE A 228 -0.810 3.037 5.947 1.00 0.00 H new ATOM 0 HB ILE A 228 -1.396 0.319 7.234 1.00 0.00 H new ATOM 0 HG12 ILE A 228 0.612 0.630 5.566 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -0.491 -0.713 5.344 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -3.145 0.143 5.467 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -3.452 1.534 6.533 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -2.752 1.789 4.917 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -0.060 0.433 3.185 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -1.771 0.601 3.646 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -0.651 1.965 3.871 1.00 0.00 H new ATOM 941 N GLN A 229 -1.871 2.373 9.030 1.00 0.00 N ATOM 942 CA GLN A 229 -2.844 2.860 10.048 1.00 0.00 C ATOM 943 C GLN A 229 -2.455 4.270 10.482 1.00 0.00 C ATOM 944 O GLN A 229 -3.228 4.960 11.111 1.00 0.00 O ATOM 945 CB GLN A 229 -2.865 1.925 11.269 1.00 0.00 C ATOM 946 CG GLN A 229 -1.453 1.794 11.849 1.00 0.00 C ATOM 947 CD GLN A 229 -1.115 3.033 12.688 1.00 0.00 C ATOM 948 OE1 GLN A 229 -1.732 3.267 13.705 1.00 0.00 O ATOM 949 NE2 GLN A 229 -0.153 3.840 12.315 1.00 0.00 N ATOM 0 H GLN A 229 -1.250 1.626 9.341 1.00 0.00 H new ATOM 0 HA GLN A 229 -3.841 2.872 9.608 1.00 0.00 H new ATOM 0 HB2 GLN A 229 -3.544 2.317 12.026 1.00 0.00 H new ATOM 0 HB3 GLN A 229 -3.242 0.944 10.980 1.00 0.00 H new ATOM 0 HG2 GLN A 229 -1.386 0.898 12.465 1.00 0.00 H new ATOM 0 HG3 GLN A 229 -0.728 1.682 11.043 1.00 0.00 H new ATOM 0 HE21 GLN A 229 0.370 3.649 11.460 1.00 0.00 H new ATOM 0 HE22 GLN A 229 0.073 4.659 12.879 1.00 0.00 H new ATOM 958 N GLN A 230 -1.265 4.714 10.153 1.00 0.00 N ATOM 959 CA GLN A 230 -0.857 6.088 10.555 1.00 0.00 C ATOM 960 C GLN A 230 -1.482 7.086 9.570 1.00 0.00 C ATOM 961 O GLN A 230 -1.458 8.284 9.772 1.00 0.00 O ATOM 962 CB GLN A 230 0.678 6.212 10.510 1.00 0.00 C ATOM 963 CG GLN A 230 1.094 7.616 10.954 1.00 0.00 C ATOM 964 CD GLN A 230 2.615 7.679 11.128 1.00 0.00 C ATOM 965 OE1 GLN A 230 3.285 6.665 11.127 1.00 0.00 O ATOM 966 NE2 GLN A 230 3.191 8.842 11.276 1.00 0.00 N ATOM 0 H GLN A 230 -0.568 4.186 9.628 1.00 0.00 H new ATOM 0 HA GLN A 230 -1.197 6.296 11.570 1.00 0.00 H new ATOM 0 HB2 GLN A 230 1.132 5.465 11.161 1.00 0.00 H new ATOM 0 HB3 GLN A 230 1.039 6.017 9.500 1.00 0.00 H new ATOM 0 HG2 GLN A 230 0.773 8.350 10.215 1.00 0.00 H new ATOM 0 HG3 GLN A 230 0.601 7.871 11.892 1.00 0.00 H new ATOM 0 HE21 GLN A 230 2.629 9.693 11.277 1.00 0.00 H new ATOM 0 HE22 GLN A 230 4.203 8.899 11.391 1.00 0.00 H new ATOM 975 N LEU A 231 -2.045 6.590 8.498 1.00 0.00 N ATOM 976 CA LEU A 231 -2.670 7.496 7.486 1.00 0.00 C ATOM 977 C LEU A 231 -3.960 8.098 8.058 1.00 0.00 C ATOM 978 O LEU A 231 -3.951 9.188 8.588 1.00 0.00 O ATOM 979 CB LEU A 231 -2.990 6.693 6.219 1.00 0.00 C ATOM 980 CG LEU A 231 -1.705 6.095 5.629 1.00 0.00 C ATOM 981 CD1 LEU A 231 -2.090 5.117 4.522 1.00 0.00 C ATOM 982 CD2 LEU A 231 -0.809 7.196 5.045 1.00 0.00 C ATOM 0 H LEU A 231 -2.099 5.595 8.279 1.00 0.00 H new ATOM 0 HA LEU A 231 -1.979 8.303 7.241 1.00 0.00 H new ATOM 0 HB2 LEU A 231 -3.696 5.896 6.454 1.00 0.00 H new ATOM 0 HB3 LEU A 231 -3.470 7.338 5.483 1.00 0.00 H new ATOM 0 HG LEU A 231 -1.152 5.585 6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 231 -1.188 4.682 4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 231 -2.713 4.324 4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 231 -2.644 5.645 3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 231 0.095 6.749 4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 231 -1.346 7.722 4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 231 -0.539 7.901 5.831 1.00 0.00 H new ATOM 994 N ASP A 232 -5.062 7.393 7.973 1.00 0.00 N ATOM 995 CA ASP A 232 -6.348 7.933 8.531 1.00 0.00 C ATOM 996 C ASP A 232 -7.451 6.878 8.405 1.00 0.00 C ATOM 997 O ASP A 232 -7.504 6.129 7.448 1.00 0.00 O ATOM 998 CB ASP A 232 -6.776 9.201 7.758 1.00 0.00 C ATOM 999 CG ASP A 232 -7.725 10.052 8.611 1.00 0.00 C ATOM 1000 OD1 ASP A 232 -8.283 9.520 9.555 1.00 0.00 O ATOM 1001 OD2 ASP A 232 -7.878 11.225 8.302 1.00 0.00 O ATOM 0 H ASP A 232 -5.130 6.470 7.544 1.00 0.00 H new ATOM 0 HA ASP A 232 -6.193 8.184 9.580 1.00 0.00 H new ATOM 0 HB2 ASP A 232 -5.896 9.785 7.489 1.00 0.00 H new ATOM 0 HB3 ASP A 232 -7.268 8.919 6.827 1.00 0.00 H new ATOM 1006 N GLU A 233 -8.350 6.835 9.350 1.00 0.00 N ATOM 1007 CA GLU A 233 -9.469 5.858 9.269 1.00 0.00 C ATOM 1008 C GLU A 233 -10.268 6.174 8.008 1.00 0.00 C ATOM 1009 O GLU A 233 -10.869 5.309 7.405 1.00 0.00 O ATOM 1010 CB GLU A 233 -10.358 5.988 10.507 1.00 0.00 C ATOM 1011 CG GLU A 233 -11.523 4.995 10.436 1.00 0.00 C ATOM 1012 CD GLU A 233 -12.388 5.170 11.685 1.00 0.00 C ATOM 1013 OE1 GLU A 233 -12.845 6.279 11.906 1.00 0.00 O ATOM 1014 OE2 GLU A 233 -12.577 4.198 12.400 1.00 0.00 O ATOM 0 H GLU A 233 -8.357 7.435 10.175 1.00 0.00 H new ATOM 0 HA GLU A 233 -9.090 4.837 9.229 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -9.770 5.804 11.406 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -10.743 7.005 10.581 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -12.115 5.170 9.538 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -11.147 3.974 10.376 1.00 0.00 H new ATOM 1021 N ALA A 234 -10.267 7.419 7.603 1.00 0.00 N ATOM 1022 CA ALA A 234 -11.014 7.814 6.376 1.00 0.00 C ATOM 1023 C ALA A 234 -10.453 7.031 5.184 1.00 0.00 C ATOM 1024 O ALA A 234 -11.137 6.768 4.215 1.00 0.00 O ATOM 1025 CB ALA A 234 -10.816 9.310 6.120 1.00 0.00 C ATOM 0 H ALA A 234 -9.778 8.180 8.074 1.00 0.00 H new ATOM 0 HA ALA A 234 -12.075 7.600 6.505 1.00 0.00 H new ATOM 0 HB1 ALA A 234 -11.362 9.601 5.223 1.00 0.00 H new ATOM 0 HB2 ALA A 234 -11.190 9.878 6.972 1.00 0.00 H new ATOM 0 HB3 ALA A 234 -9.755 9.518 5.983 1.00 0.00 H new ATOM 1031 N MET A 235 -9.214 6.647 5.260 1.00 0.00 N ATOM 1032 CA MET A 235 -8.600 5.873 4.147 1.00 0.00 C ATOM 1033 C MET A 235 -9.395 4.586 3.962 1.00 0.00 C ATOM 1034 O MET A 235 -9.561 4.099 2.865 1.00 0.00 O ATOM 1035 CB MET A 235 -7.165 5.514 4.517 1.00 0.00 C ATOM 1036 CG MET A 235 -6.478 4.812 3.339 1.00 0.00 C ATOM 1037 SD MET A 235 -4.959 4.025 3.921 1.00 0.00 S ATOM 1038 CE MET A 235 -5.714 2.793 5.020 1.00 0.00 C ATOM 0 H MET A 235 -8.595 6.836 6.048 1.00 0.00 H new ATOM 0 HA MET A 235 -8.607 6.463 3.231 1.00 0.00 H new ATOM 0 HB2 MET A 235 -6.614 6.415 4.785 1.00 0.00 H new ATOM 0 HB3 MET A 235 -7.158 4.864 5.392 1.00 0.00 H new ATOM 0 HG2 MET A 235 -7.145 4.067 2.905 1.00 0.00 H new ATOM 0 HG3 MET A 235 -6.251 5.532 2.553 1.00 0.00 H new ATOM 0 HE1 MET A 235 -5.502 3.052 6.057 1.00 0.00 H new ATOM 0 HE2 MET A 235 -6.792 2.777 4.863 1.00 0.00 H new ATOM 0 HE3 MET A 235 -5.301 1.808 4.801 1.00 0.00 H new ATOM 1048 N VAL A 236 -9.886 4.025 5.025 1.00 0.00 N ATOM 1049 CA VAL A 236 -10.661 2.767 4.887 1.00 0.00 C ATOM 1050 C VAL A 236 -11.867 3.038 3.986 1.00 0.00 C ATOM 1051 O VAL A 236 -12.205 2.248 3.128 1.00 0.00 O ATOM 1052 CB VAL A 236 -11.115 2.299 6.273 1.00 0.00 C ATOM 1053 CG1 VAL A 236 -12.126 1.163 6.126 1.00 0.00 C ATOM 1054 CG2 VAL A 236 -9.901 1.786 7.052 1.00 0.00 C ATOM 0 H VAL A 236 -9.786 4.379 5.976 1.00 0.00 H new ATOM 0 HA VAL A 236 -10.048 1.983 4.442 1.00 0.00 H new ATOM 0 HB VAL A 236 -11.576 3.132 6.804 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -12.447 0.832 7.114 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -12.990 1.515 5.562 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -11.663 0.330 5.597 1.00 0.00 H new ATOM 0 HG21 VAL A 236 -10.218 1.451 8.040 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -9.449 0.953 6.514 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -9.171 2.588 7.158 1.00 0.00 H new ATOM 1064 N VAL A 237 -12.489 4.166 4.143 1.00 0.00 N ATOM 1065 CA VAL A 237 -13.641 4.510 3.271 1.00 0.00 C ATOM 1066 C VAL A 237 -13.127 4.781 1.856 1.00 0.00 C ATOM 1067 O VAL A 237 -13.846 4.635 0.888 1.00 0.00 O ATOM 1068 CB VAL A 237 -14.341 5.756 3.803 1.00 0.00 C ATOM 1069 CG1 VAL A 237 -15.504 6.103 2.878 1.00 0.00 C ATOM 1070 CG2 VAL A 237 -14.869 5.466 5.206 1.00 0.00 C ATOM 0 H VAL A 237 -12.249 4.870 4.841 1.00 0.00 H new ATOM 0 HA VAL A 237 -14.350 3.682 3.259 1.00 0.00 H new ATOM 0 HB VAL A 237 -13.644 6.593 3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 237 -16.012 6.993 3.250 1.00 0.00 H new ATOM 0 HG12 VAL A 237 -15.126 6.294 1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 237 -16.207 5.270 2.849 1.00 0.00 H new ATOM 0 HG21 VAL A 237 -15.372 6.351 5.596 1.00 0.00 H new ATOM 0 HG22 VAL A 237 -15.575 4.636 5.165 1.00 0.00 H new ATOM 0 HG23 VAL A 237 -14.038 5.203 5.860 1.00 0.00 H new ATOM 1080 N ALA A 238 -11.891 5.193 1.730 1.00 0.00 N ATOM 1081 CA ALA A 238 -11.330 5.496 0.377 1.00 0.00 C ATOM 1082 C ALA A 238 -11.380 4.242 -0.506 1.00 0.00 C ATOM 1083 O ALA A 238 -11.667 4.314 -1.684 1.00 0.00 O ATOM 1084 CB ALA A 238 -9.869 5.956 0.510 1.00 0.00 C ATOM 0 H ALA A 238 -11.245 5.333 2.507 1.00 0.00 H new ATOM 0 HA ALA A 238 -11.925 6.287 -0.079 1.00 0.00 H new ATOM 0 HB1 ALA A 238 -9.465 6.175 -0.478 1.00 0.00 H new ATOM 0 HB2 ALA A 238 -9.825 6.853 1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 238 -9.280 5.166 0.975 1.00 0.00 H new