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 Set 1.1: A 220 SER OG : rot 165:sc= 1.27 USER MOD Set 1.2: A 223 THR OG1 : rot 105:sc= 0.988 USER MOD Set 2.1: A 192 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 235 MET CE :methyl -134:sc= -0.877 (180deg=-3.75!) USER MOD Single : A 186 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.25) USER MOD Single : A 197 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 202 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000561) USER MOD Single : A 203 CYS SG : rot 180:sc= -0.0103 USER MOD Single : A 204 TYR OH : rot -174:sc= -0.4 USER MOD Single : A 214 HIS : no HD1:sc= -3.71! K(o=-3.7!,f=-2.2) USER MOD Single : A 217 SER OG : rot 180:sc= 0 USER MOD Single : A 229 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 230 GLN : amide:sc= -0.251 K(o=-0.25,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 135 N ASP A 181 12.064 2.156 -1.275 1.00 0.00 N ATOM 136 CA ASP A 181 11.928 2.908 -2.557 1.00 0.00 C ATOM 137 C ASP A 181 10.565 3.605 -2.590 1.00 0.00 C ATOM 138 O ASP A 181 9.544 2.993 -2.343 1.00 0.00 O ATOM 139 CB ASP A 181 12.029 1.927 -3.725 1.00 0.00 C ATOM 140 CG ASP A 181 13.481 1.451 -3.856 1.00 0.00 C ATOM 141 OD1 ASP A 181 13.870 0.574 -3.097 1.00 0.00 O ATOM 142 OD2 ASP A 181 14.180 1.971 -4.708 1.00 0.00 O ATOM 0 HA ASP A 181 12.719 3.653 -2.636 1.00 0.00 H new ATOM 0 HB2 ASP A 181 11.368 1.076 -3.560 1.00 0.00 H new ATOM 0 HB3 ASP A 181 11.706 2.407 -4.649 1.00 0.00 H new ATOM 147 N GLU A 182 10.543 4.878 -2.898 1.00 0.00 N ATOM 148 CA GLU A 182 9.250 5.624 -2.959 1.00 0.00 C ATOM 149 C GLU A 182 8.341 4.991 -4.008 1.00 0.00 C ATOM 150 O GLU A 182 7.135 4.897 -3.835 1.00 0.00 O ATOM 151 CB GLU A 182 9.516 7.091 -3.320 1.00 0.00 C ATOM 152 CG GLU A 182 10.046 7.190 -4.762 1.00 0.00 C ATOM 153 CD GLU A 182 10.614 8.590 -5.021 1.00 0.00 C ATOM 154 OE1 GLU A 182 10.174 9.520 -4.366 1.00 0.00 O ATOM 155 OE2 GLU A 182 11.490 8.706 -5.865 1.00 0.00 O ATOM 0 H GLU A 182 11.371 5.435 -3.111 1.00 0.00 H new ATOM 0 HA GLU A 182 8.761 5.578 -1.986 1.00 0.00 H new ATOM 0 HB2 GLU A 182 8.598 7.671 -3.220 1.00 0.00 H new ATOM 0 HB3 GLU A 182 10.240 7.519 -2.627 1.00 0.00 H new ATOM 0 HG2 GLU A 182 10.819 6.440 -4.925 1.00 0.00 H new ATOM 0 HG3 GLU A 182 9.243 6.979 -5.468 1.00 0.00 H new ATOM 162 N ASP A 183 8.919 4.584 -5.111 1.00 0.00 N ATOM 163 CA ASP A 183 8.117 3.977 -6.201 1.00 0.00 C ATOM 164 C ASP A 183 7.408 2.720 -5.688 1.00 0.00 C ATOM 165 O ASP A 183 6.282 2.447 -6.058 1.00 0.00 O ATOM 166 CB ASP A 183 9.032 3.616 -7.386 1.00 0.00 C ATOM 167 CG ASP A 183 9.336 4.882 -8.198 1.00 0.00 C ATOM 168 OD1 ASP A 183 8.421 5.386 -8.830 1.00 0.00 O ATOM 169 OD2 ASP A 183 10.469 5.329 -8.173 1.00 0.00 O ATOM 0 H ASP A 183 9.920 4.650 -5.298 1.00 0.00 H new ATOM 0 HA ASP A 183 7.369 4.696 -6.535 1.00 0.00 H new ATOM 0 HB2 ASP A 183 9.959 3.172 -7.022 1.00 0.00 H new ATOM 0 HB3 ASP A 183 8.549 2.872 -8.019 1.00 0.00 H new ATOM 174 N ALA A 184 8.058 1.940 -4.858 1.00 0.00 N ATOM 175 CA ALA A 184 7.411 0.697 -4.346 1.00 0.00 C ATOM 176 C ALA A 184 6.327 1.067 -3.332 1.00 0.00 C ATOM 177 O ALA A 184 5.256 0.489 -3.307 1.00 0.00 O ATOM 178 CB ALA A 184 8.470 -0.182 -3.669 1.00 0.00 C ATOM 0 H ALA A 184 9.004 2.111 -4.516 1.00 0.00 H new ATOM 0 HA ALA A 184 6.959 0.151 -5.174 1.00 0.00 H new ATOM 0 HB1 ALA A 184 8.002 -1.092 -3.293 1.00 0.00 H new ATOM 0 HB2 ALA A 184 9.242 -0.444 -4.392 1.00 0.00 H new ATOM 0 HB3 ALA A 184 8.920 0.364 -2.840 1.00 0.00 H new ATOM 184 N TRP A 185 6.597 2.026 -2.496 1.00 0.00 N ATOM 185 CA TRP A 185 5.585 2.426 -1.488 1.00 0.00 C ATOM 186 C TRP A 185 4.321 2.897 -2.218 1.00 0.00 C ATOM 187 O TRP A 185 3.215 2.503 -1.897 1.00 0.00 O ATOM 188 CB TRP A 185 6.158 3.540 -0.593 1.00 0.00 C ATOM 189 CG TRP A 185 5.149 3.949 0.433 1.00 0.00 C ATOM 190 CD1 TRP A 185 4.614 5.187 0.542 1.00 0.00 C ATOM 191 CD2 TRP A 185 4.550 3.151 1.505 1.00 0.00 C ATOM 192 NE1 TRP A 185 3.738 5.203 1.605 1.00 0.00 N ATOM 193 CE2 TRP A 185 3.659 3.976 2.225 1.00 0.00 C ATOM 194 CE3 TRP A 185 4.690 1.808 1.918 1.00 0.00 C ATOM 195 CZ2 TRP A 185 2.935 3.498 3.311 1.00 0.00 C ATOM 196 CZ3 TRP A 185 3.953 1.319 3.018 1.00 0.00 C ATOM 197 CH2 TRP A 185 3.078 2.164 3.710 1.00 0.00 C ATOM 0 H TRP A 185 7.473 2.548 -2.468 1.00 0.00 H new ATOM 0 HA TRP A 185 5.329 1.580 -0.850 1.00 0.00 H new ATOM 0 HB2 TRP A 185 7.066 3.191 -0.102 1.00 0.00 H new ATOM 0 HB3 TRP A 185 6.436 4.400 -1.203 1.00 0.00 H new ATOM 0 HD1 TRP A 185 4.837 6.026 -0.100 1.00 0.00 H new ATOM 0 HE1 TRP A 185 3.211 6.026 1.898 1.00 0.00 H new ATOM 0 HE3 TRP A 185 5.365 1.151 1.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 2.264 4.154 3.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 4.065 0.290 3.326 1.00 0.00 H new ATOM 0 HH2 TRP A 185 2.514 1.787 4.551 1.00 0.00 H new ATOM 208 N GLN A 186 4.483 3.714 -3.220 1.00 0.00 N ATOM 209 CA GLN A 186 3.305 4.193 -3.999 1.00 0.00 C ATOM 210 C GLN A 186 2.591 2.998 -4.621 1.00 0.00 C ATOM 211 O GLN A 186 1.383 2.947 -4.677 1.00 0.00 O ATOM 212 CB GLN A 186 3.757 5.135 -5.116 1.00 0.00 C ATOM 213 CG GLN A 186 4.263 6.435 -4.497 1.00 0.00 C ATOM 214 CD GLN A 186 3.065 7.194 -3.908 1.00 0.00 C ATOM 215 OE1 GLN A 186 2.185 7.619 -4.630 1.00 0.00 O ATOM 216 NE2 GLN A 186 2.976 7.365 -2.617 1.00 0.00 N ATOM 0 H GLN A 186 5.384 4.073 -3.535 1.00 0.00 H new ATOM 0 HA GLN A 186 2.632 4.726 -3.327 1.00 0.00 H new ATOM 0 HB2 GLN A 186 4.545 4.668 -5.706 1.00 0.00 H new ATOM 0 HB3 GLN A 186 2.929 5.339 -5.795 1.00 0.00 H new ATOM 0 HG2 GLN A 186 4.997 6.224 -3.719 1.00 0.00 H new ATOM 0 HG3 GLN A 186 4.763 7.043 -5.250 1.00 0.00 H new ATOM 0 HE21 GLN A 186 3.710 7.011 -2.004 1.00 0.00 H new ATOM 0 HE22 GLN A 186 2.172 7.852 -2.221 1.00 0.00 H new ATOM 225 N PHE A 187 3.331 2.044 -5.108 1.00 0.00 N ATOM 226 CA PHE A 187 2.695 0.866 -5.751 1.00 0.00 C ATOM 227 C PHE A 187 1.787 0.176 -4.734 1.00 0.00 C ATOM 228 O PHE A 187 0.642 -0.128 -5.016 1.00 0.00 O ATOM 229 CB PHE A 187 3.798 -0.100 -6.204 1.00 0.00 C ATOM 230 CG PHE A 187 3.222 -1.145 -7.122 1.00 0.00 C ATOM 231 CD1 PHE A 187 2.417 -2.161 -6.599 1.00 0.00 C ATOM 232 CD2 PHE A 187 3.488 -1.093 -8.501 1.00 0.00 C ATOM 233 CE1 PHE A 187 1.874 -3.123 -7.450 1.00 0.00 C ATOM 234 CE2 PHE A 187 2.945 -2.057 -9.354 1.00 0.00 C ATOM 235 CZ PHE A 187 2.133 -3.073 -8.827 1.00 0.00 C ATOM 0 H PHE A 187 4.351 2.030 -5.088 1.00 0.00 H new ATOM 0 HA PHE A 187 2.102 1.175 -6.612 1.00 0.00 H new ATOM 0 HB2 PHE A 187 4.587 0.451 -6.716 1.00 0.00 H new ATOM 0 HB3 PHE A 187 4.254 -0.577 -5.336 1.00 0.00 H new ATOM 0 HD1 PHE A 187 2.216 -2.201 -5.539 1.00 0.00 H new ATOM 0 HD2 PHE A 187 4.112 -0.308 -8.901 1.00 0.00 H new ATOM 0 HE1 PHE A 187 1.252 -3.909 -7.047 1.00 0.00 H new ATOM 0 HE2 PHE A 187 3.149 -2.020 -10.414 1.00 0.00 H new ATOM 0 HZ PHE A 187 1.707 -3.818 -9.483 1.00 0.00 H new ATOM 245 N LEU A 188 2.297 -0.078 -3.559 1.00 0.00 N ATOM 246 CA LEU A 188 1.476 -0.751 -2.506 1.00 0.00 C ATOM 247 C LEU A 188 0.263 0.121 -2.186 1.00 0.00 C ATOM 248 O LEU A 188 -0.845 -0.358 -2.047 1.00 0.00 O ATOM 249 CB LEU A 188 2.335 -0.944 -1.246 1.00 0.00 C ATOM 250 CG LEU A 188 1.538 -1.649 -0.136 1.00 0.00 C ATOM 251 CD1 LEU A 188 1.132 -3.067 -0.579 1.00 0.00 C ATOM 252 CD2 LEU A 188 2.421 -1.740 1.104 1.00 0.00 C ATOM 0 H LEU A 188 3.251 0.152 -3.280 1.00 0.00 H new ATOM 0 HA LEU A 188 1.135 -1.724 -2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 188 3.220 -1.531 -1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 188 2.684 0.025 -0.888 1.00 0.00 H new ATOM 0 HG LEU A 188 0.632 -1.082 0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 188 0.569 -3.550 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 188 0.513 -3.005 -1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 188 2.027 -3.650 -0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 188 1.874 -2.238 1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 188 3.320 -2.311 0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 188 2.702 -0.737 1.425 1.00 0.00 H new ATOM 264 N ILE A 189 0.476 1.400 -2.063 1.00 0.00 N ATOM 265 CA ILE A 189 -0.643 2.333 -1.747 1.00 0.00 C ATOM 266 C ILE A 189 -1.683 2.339 -2.880 1.00 0.00 C ATOM 267 O ILE A 189 -2.873 2.430 -2.644 1.00 0.00 O ATOM 268 CB ILE A 189 -0.101 3.758 -1.569 1.00 0.00 C ATOM 269 CG1 ILE A 189 0.875 3.824 -0.376 1.00 0.00 C ATOM 270 CG2 ILE A 189 -1.263 4.730 -1.350 1.00 0.00 C ATOM 271 CD1 ILE A 189 0.123 3.987 0.965 1.00 0.00 C ATOM 0 H ILE A 189 1.388 1.845 -2.169 1.00 0.00 H new ATOM 0 HA ILE A 189 -1.116 1.994 -0.825 1.00 0.00 H new ATOM 0 HB ILE A 189 0.440 4.041 -2.472 1.00 0.00 H new ATOM 0 HG12 ILE A 189 1.478 2.917 -0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 189 1.562 4.659 -0.513 1.00 0.00 H new ATOM 0 HG21 ILE A 189 -0.874 5.740 -1.224 1.00 0.00 H new ATOM 0 HG22 ILE A 189 -1.928 4.702 -2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 189 -1.816 4.440 -0.456 1.00 0.00 H new ATOM 0 HD11 ILE A 189 0.842 4.030 1.783 1.00 0.00 H new ATOM 0 HD12 ILE A 189 -0.460 4.908 0.946 1.00 0.00 H new ATOM 0 HD13 ILE A 189 -0.545 3.138 1.113 1.00 0.00 H new ATOM 283 N ALA A 190 -1.236 2.303 -4.110 1.00 0.00 N ATOM 284 CA ALA A 190 -2.185 2.367 -5.260 1.00 0.00 C ATOM 285 C ALA A 190 -3.164 1.188 -5.237 1.00 0.00 C ATOM 286 O ALA A 190 -4.331 1.347 -5.523 1.00 0.00 O ATOM 287 CB ALA A 190 -1.390 2.345 -6.567 1.00 0.00 C ATOM 0 H ALA A 190 -0.251 2.232 -4.367 1.00 0.00 H new ATOM 0 HA ALA A 190 -2.761 3.289 -5.183 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -2.077 2.391 -7.412 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -0.718 3.202 -6.598 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -0.808 1.425 -6.623 1.00 0.00 H new ATOM 293 N ASP A 191 -2.720 0.011 -4.906 1.00 0.00 N ATOM 294 CA ASP A 191 -3.665 -1.145 -4.883 1.00 0.00 C ATOM 295 C ASP A 191 -4.630 -1.014 -3.707 1.00 0.00 C ATOM 296 O ASP A 191 -5.802 -1.309 -3.809 1.00 0.00 O ATOM 297 CB ASP A 191 -2.873 -2.441 -4.749 1.00 0.00 C ATOM 298 CG ASP A 191 -2.186 -2.745 -6.081 1.00 0.00 C ATOM 299 OD1 ASP A 191 -2.848 -2.637 -7.104 1.00 0.00 O ATOM 300 OD2 ASP A 191 -1.016 -3.079 -6.058 1.00 0.00 O ATOM 0 H ASP A 191 -1.756 -0.204 -4.652 1.00 0.00 H new ATOM 0 HA ASP A 191 -4.238 -1.156 -5.810 1.00 0.00 H new ATOM 0 HB2 ASP A 191 -2.131 -2.349 -3.955 1.00 0.00 H new ATOM 0 HB3 ASP A 191 -3.536 -3.260 -4.472 1.00 0.00 H new ATOM 305 N TYR A 192 -4.143 -0.585 -2.590 1.00 0.00 N ATOM 306 CA TYR A 192 -5.021 -0.438 -1.398 1.00 0.00 C ATOM 307 C TYR A 192 -6.155 0.571 -1.680 1.00 0.00 C ATOM 308 O TYR A 192 -7.273 0.391 -1.246 1.00 0.00 O ATOM 309 CB TYR A 192 -4.185 0.040 -0.206 1.00 0.00 C ATOM 310 CG TYR A 192 -4.924 -0.239 1.085 1.00 0.00 C ATOM 311 CD1 TYR A 192 -5.983 0.582 1.476 1.00 0.00 C ATOM 312 CD2 TYR A 192 -4.549 -1.323 1.887 1.00 0.00 C ATOM 313 CE1 TYR A 192 -6.671 0.321 2.665 1.00 0.00 C ATOM 314 CE2 TYR A 192 -5.237 -1.588 3.080 1.00 0.00 C ATOM 315 CZ TYR A 192 -6.300 -0.767 3.469 1.00 0.00 C ATOM 316 OH TYR A 192 -6.982 -1.024 4.644 1.00 0.00 O ATOM 0 H TYR A 192 -3.167 -0.326 -2.443 1.00 0.00 H new ATOM 0 HA TYR A 192 -5.469 -1.405 -1.168 1.00 0.00 H new ATOM 0 HB2 TYR A 192 -3.220 -0.467 -0.200 1.00 0.00 H new ATOM 0 HB3 TYR A 192 -3.983 1.107 -0.297 1.00 0.00 H new ATOM 0 HD1 TYR A 192 -6.271 1.420 0.859 1.00 0.00 H new ATOM 0 HD2 TYR A 192 -3.728 -1.957 1.586 1.00 0.00 H new ATOM 0 HE1 TYR A 192 -7.490 0.958 2.965 1.00 0.00 H new ATOM 0 HE2 TYR A 192 -4.946 -2.425 3.697 1.00 0.00 H new ATOM 0 HH TYR A 192 -6.598 -1.814 5.079 1.00 0.00 H new ATOM 326 N LEU A 193 -5.869 1.655 -2.365 1.00 0.00 N ATOM 327 CA LEU A 193 -6.925 2.688 -2.624 1.00 0.00 C ATOM 328 C LEU A 193 -7.842 2.285 -3.794 1.00 0.00 C ATOM 329 O LEU A 193 -8.859 2.914 -4.021 1.00 0.00 O ATOM 330 CB LEU A 193 -6.234 4.019 -2.954 1.00 0.00 C ATOM 331 CG LEU A 193 -5.322 4.440 -1.792 1.00 0.00 C ATOM 332 CD1 LEU A 193 -4.564 5.709 -2.173 1.00 0.00 C ATOM 333 CD2 LEU A 193 -6.165 4.697 -0.527 1.00 0.00 C ATOM 0 H LEU A 193 -4.951 1.869 -2.755 1.00 0.00 H new ATOM 0 HA LEU A 193 -7.546 2.781 -1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -5.649 3.918 -3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -6.982 4.790 -3.138 1.00 0.00 H new ATOM 0 HG LEU A 193 -4.610 3.640 -1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -3.917 6.008 -1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -3.958 5.519 -3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -5.275 6.508 -2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -5.510 4.995 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -6.884 5.492 -0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 193 -6.697 3.786 -0.253 1.00 0.00 H new ATOM 345 N ARG A 194 -7.522 1.259 -4.539 1.00 0.00 N ATOM 346 CA ARG A 194 -8.423 0.883 -5.666 1.00 0.00 C ATOM 347 C ARG A 194 -9.673 0.190 -5.108 1.00 0.00 C ATOM 348 O ARG A 194 -9.609 -0.472 -4.091 1.00 0.00 O ATOM 349 CB ARG A 194 -7.706 -0.070 -6.634 1.00 0.00 C ATOM 350 CG ARG A 194 -6.820 0.718 -7.608 1.00 0.00 C ATOM 351 CD ARG A 194 -6.105 -0.253 -8.549 1.00 0.00 C ATOM 352 NE ARG A 194 -7.105 -1.113 -9.240 1.00 0.00 N ATOM 353 CZ ARG A 194 -6.776 -1.763 -10.319 1.00 0.00 C ATOM 354 NH1 ARG A 194 -5.566 -1.659 -10.795 1.00 0.00 N ATOM 355 NH2 ARG A 194 -7.662 -2.504 -10.929 1.00 0.00 N ATOM 0 H ARG A 194 -6.693 0.676 -4.420 1.00 0.00 H new ATOM 0 HA ARG A 194 -8.706 1.787 -6.205 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -7.098 -0.778 -6.072 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -8.440 -0.652 -7.191 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -7.427 1.418 -8.183 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -6.090 1.309 -7.055 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -5.520 0.301 -9.283 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -5.407 -0.872 -7.986 1.00 0.00 H new ATOM 0 HE ARG A 194 -8.051 -1.193 -8.867 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -4.881 -1.070 -10.322 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -5.305 -2.167 -11.640 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -8.610 -2.573 -10.560 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -7.405 -3.014 -11.774 1.00 0.00 H new ATOM 369 N PRO A 195 -10.801 0.332 -5.773 1.00 0.00 N ATOM 370 CA PRO A 195 -12.080 -0.304 -5.337 1.00 0.00 C ATOM 371 C PRO A 195 -12.004 -1.835 -5.410 1.00 0.00 C ATOM 372 O PRO A 195 -12.945 -2.522 -5.094 1.00 0.00 O ATOM 373 CB PRO A 195 -13.122 0.249 -6.323 1.00 0.00 C ATOM 374 CG PRO A 195 -12.339 0.636 -7.532 1.00 0.00 C ATOM 375 CD PRO A 195 -10.992 1.113 -7.011 1.00 0.00 C ATOM 0 HA PRO A 195 -12.322 -0.079 -4.298 1.00 0.00 H new ATOM 0 HB2 PRO A 195 -13.875 -0.501 -6.564 1.00 0.00 H new ATOM 0 HB3 PRO A 195 -13.648 1.106 -5.902 1.00 0.00 H new ATOM 0 HG2 PRO A 195 -12.220 -0.210 -8.209 1.00 0.00 H new ATOM 0 HG3 PRO A 195 -12.844 1.424 -8.091 1.00 0.00 H new ATOM 0 HD2 PRO A 195 -10.195 0.925 -7.730 1.00 0.00 H new ATOM 0 HD3 PRO A 195 -10.996 2.185 -6.812 1.00 0.00 H new ATOM 383 N GLU A 196 -10.886 -2.371 -5.822 1.00 0.00 N ATOM 384 CA GLU A 196 -10.745 -3.851 -5.897 1.00 0.00 C ATOM 385 C GLU A 196 -10.759 -4.415 -4.466 1.00 0.00 C ATOM 386 O GLU A 196 -11.333 -5.451 -4.204 1.00 0.00 O ATOM 387 CB GLU A 196 -9.419 -4.199 -6.580 1.00 0.00 C ATOM 388 CG GLU A 196 -9.351 -5.698 -6.867 1.00 0.00 C ATOM 389 CD GLU A 196 -9.088 -6.459 -5.568 1.00 0.00 C ATOM 390 OE1 GLU A 196 -8.421 -5.911 -4.705 1.00 0.00 O ATOM 391 OE2 GLU A 196 -9.562 -7.575 -5.455 1.00 0.00 O ATOM 0 H GLU A 196 -10.062 -1.844 -6.111 1.00 0.00 H new ATOM 0 HA GLU A 196 -11.565 -4.282 -6.472 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -9.322 -3.639 -7.510 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -8.585 -3.905 -5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -10.286 -6.035 -7.315 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -8.560 -5.905 -7.588 1.00 0.00 H new ATOM 398 N LYS A 197 -10.118 -3.734 -3.541 1.00 0.00 N ATOM 399 CA LYS A 197 -10.081 -4.210 -2.119 1.00 0.00 C ATOM 400 C LYS A 197 -9.334 -5.546 -2.033 1.00 0.00 C ATOM 401 O LYS A 197 -9.909 -6.570 -1.718 1.00 0.00 O ATOM 402 CB LYS A 197 -11.504 -4.412 -1.567 1.00 0.00 C ATOM 403 CG LYS A 197 -12.392 -3.211 -1.912 1.00 0.00 C ATOM 404 CD LYS A 197 -13.869 -3.561 -1.641 1.00 0.00 C ATOM 405 CE LYS A 197 -14.508 -4.213 -2.873 1.00 0.00 C ATOM 406 NZ LYS A 197 -15.897 -4.635 -2.524 1.00 0.00 N ATOM 0 H LYS A 197 -9.616 -2.863 -3.713 1.00 0.00 H new ATOM 0 HA LYS A 197 -9.569 -3.450 -1.528 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -11.936 -5.322 -1.984 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -11.465 -4.544 -0.486 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -12.098 -2.346 -1.317 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -12.259 -2.937 -2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -13.937 -4.238 -0.789 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -14.419 -2.658 -1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -14.524 -3.511 -3.707 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -13.921 -5.074 -3.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -16.343 -5.080 -3.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -15.866 -5.317 -1.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -16.451 -3.803 -2.237 1.00 0.00 H new ATOM 420 N PRO A 198 -8.061 -5.535 -2.302 1.00 0.00 N ATOM 421 CA PRO A 198 -7.220 -6.762 -2.247 1.00 0.00 C ATOM 422 C PRO A 198 -6.805 -7.083 -0.809 1.00 0.00 C ATOM 423 O PRO A 198 -6.675 -6.199 0.013 1.00 0.00 O ATOM 424 CB PRO A 198 -6.013 -6.385 -3.109 1.00 0.00 C ATOM 425 CG PRO A 198 -5.863 -4.900 -2.946 1.00 0.00 C ATOM 426 CD PRO A 198 -7.274 -4.346 -2.686 1.00 0.00 C ATOM 0 HA PRO A 198 -7.734 -7.656 -2.599 1.00 0.00 H new ATOM 0 HB2 PRO A 198 -5.116 -6.910 -2.782 1.00 0.00 H new ATOM 0 HB3 PRO A 198 -6.176 -6.652 -4.153 1.00 0.00 H new ATOM 0 HG2 PRO A 198 -5.195 -4.666 -2.117 1.00 0.00 H new ATOM 0 HG3 PRO A 198 -5.429 -4.453 -3.841 1.00 0.00 H new ATOM 0 HD2 PRO A 198 -7.269 -3.598 -1.893 1.00 0.00 H new ATOM 0 HD3 PRO A 198 -7.684 -3.866 -3.575 1.00 0.00 H new ATOM 434 N ALA A 199 -6.599 -8.337 -0.495 1.00 0.00 N ATOM 435 CA ALA A 199 -6.197 -8.690 0.894 1.00 0.00 C ATOM 436 C ALA A 199 -4.787 -8.168 1.147 1.00 0.00 C ATOM 437 O ALA A 199 -3.922 -8.280 0.305 1.00 0.00 O ATOM 438 CB ALA A 199 -6.217 -10.203 1.072 1.00 0.00 C ATOM 0 H ALA A 199 -6.692 -9.124 -1.137 1.00 0.00 H new ATOM 0 HA ALA A 199 -6.894 -8.241 1.601 1.00 0.00 H new ATOM 0 HB1 ALA A 199 -5.922 -10.453 2.091 1.00 0.00 H new ATOM 0 HB2 ALA A 199 -7.223 -10.578 0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 199 -5.521 -10.661 0.369 1.00 0.00 H new ATOM 444 N PHE A 200 -4.538 -7.602 2.295 1.00 0.00 N ATOM 445 CA PHE A 200 -3.167 -7.076 2.568 1.00 0.00 C ATOM 446 C PHE A 200 -2.154 -8.219 2.486 1.00 0.00 C ATOM 447 O PHE A 200 -1.078 -8.071 1.945 1.00 0.00 O ATOM 448 CB PHE A 200 -3.105 -6.463 3.975 1.00 0.00 C ATOM 449 CG PHE A 200 -1.702 -5.962 4.224 1.00 0.00 C ATOM 450 CD1 PHE A 200 -0.736 -6.822 4.773 1.00 0.00 C ATOM 451 CD2 PHE A 200 -1.364 -4.637 3.906 1.00 0.00 C ATOM 452 CE1 PHE A 200 0.569 -6.355 5.005 1.00 0.00 C ATOM 453 CE2 PHE A 200 -0.063 -4.174 4.141 1.00 0.00 C ATOM 454 CZ PHE A 200 0.904 -5.031 4.688 1.00 0.00 C ATOM 0 H PHE A 200 -5.214 -7.481 3.049 1.00 0.00 H new ATOM 0 HA PHE A 200 -2.932 -6.312 1.827 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -3.819 -5.644 4.062 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -3.379 -7.207 4.723 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -0.996 -7.841 5.017 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -2.105 -3.976 3.481 1.00 0.00 H new ATOM 0 HE1 PHE A 200 1.313 -7.015 5.427 1.00 0.00 H new ATOM 0 HE2 PHE A 200 0.197 -3.154 3.900 1.00 0.00 H new ATOM 0 HZ PHE A 200 1.907 -4.671 4.865 1.00 0.00 H new ATOM 464 N ARG A 201 -2.482 -9.354 3.024 1.00 0.00 N ATOM 465 CA ARG A 201 -1.532 -10.499 2.982 1.00 0.00 C ATOM 466 C ARG A 201 -1.220 -10.865 1.526 1.00 0.00 C ATOM 467 O ARG A 201 -0.091 -11.126 1.173 1.00 0.00 O ATOM 468 CB ARG A 201 -2.178 -11.696 3.676 1.00 0.00 C ATOM 469 CG ARG A 201 -2.290 -11.428 5.175 1.00 0.00 C ATOM 470 CD ARG A 201 -2.949 -12.627 5.862 1.00 0.00 C ATOM 471 NE ARG A 201 -2.087 -13.827 5.673 1.00 0.00 N ATOM 472 CZ ARG A 201 -2.288 -14.898 6.383 1.00 0.00 C ATOM 473 NH1 ARG A 201 -3.215 -14.905 7.301 1.00 0.00 N ATOM 474 NH2 ARG A 201 -1.548 -15.955 6.187 1.00 0.00 N ATOM 0 H ARG A 201 -3.368 -9.542 3.493 1.00 0.00 H new ATOM 0 HA ARG A 201 -0.605 -10.225 3.486 1.00 0.00 H new ATOM 0 HB2 ARG A 201 -3.167 -11.881 3.256 1.00 0.00 H new ATOM 0 HB3 ARG A 201 -1.584 -12.593 3.501 1.00 0.00 H new ATOM 0 HG2 ARG A 201 -1.301 -11.252 5.598 1.00 0.00 H new ATOM 0 HG3 ARG A 201 -2.877 -10.527 5.351 1.00 0.00 H new ATOM 0 HD2 ARG A 201 -3.085 -12.424 6.924 1.00 0.00 H new ATOM 0 HD3 ARG A 201 -3.939 -12.804 5.442 1.00 0.00 H new ATOM 0 HE ARG A 201 -1.336 -13.809 4.984 1.00 0.00 H new ATOM 0 HH11 ARG A 201 -3.781 -14.071 7.461 1.00 0.00 H new ATOM 0 HH12 ARG A 201 -3.374 -15.744 7.859 1.00 0.00 H new ATOM 0 HH21 ARG A 201 -0.814 -15.940 5.479 1.00 0.00 H new ATOM 0 HH22 ARG A 201 -1.703 -16.796 6.742 1.00 0.00 H new ATOM 488 N LYS A 202 -2.211 -10.891 0.676 1.00 0.00 N ATOM 489 CA LYS A 202 -1.957 -11.243 -0.758 1.00 0.00 C ATOM 490 C LYS A 202 -1.276 -10.074 -1.478 1.00 0.00 C ATOM 491 O LYS A 202 -0.398 -10.264 -2.295 1.00 0.00 O ATOM 492 CB LYS A 202 -3.278 -11.567 -1.462 1.00 0.00 C ATOM 493 CG LYS A 202 -3.876 -12.835 -0.851 1.00 0.00 C ATOM 494 CD LYS A 202 -5.193 -13.172 -1.560 1.00 0.00 C ATOM 495 CE LYS A 202 -5.832 -14.421 -0.935 1.00 0.00 C ATOM 496 NZ LYS A 202 -6.504 -14.053 0.343 1.00 0.00 N ATOM 0 H LYS A 202 -3.183 -10.685 0.908 1.00 0.00 H new ATOM 0 HA LYS A 202 -1.305 -12.116 -0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 202 -3.974 -10.735 -1.356 1.00 0.00 H new ATOM 0 HB3 LYS A 202 -3.110 -11.708 -2.530 1.00 0.00 H new ATOM 0 HG2 LYS A 202 -3.175 -13.664 -0.949 1.00 0.00 H new ATOM 0 HG3 LYS A 202 -4.051 -12.690 0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 202 -5.880 -12.329 -1.486 1.00 0.00 H new ATOM 0 HD3 LYS A 202 -5.009 -13.342 -2.621 1.00 0.00 H new ATOM 0 HE2 LYS A 202 -6.555 -14.856 -1.625 1.00 0.00 H new ATOM 0 HE3 LYS A 202 -5.070 -15.179 -0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 202 -6.950 -14.897 0.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 202 -5.801 -13.673 1.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 202 -7.231 -13.332 0.158 1.00 0.00 H new ATOM 510 N CYS A 203 -1.695 -8.869 -1.193 1.00 0.00 N ATOM 511 CA CYS A 203 -1.098 -7.673 -1.870 1.00 0.00 C ATOM 512 C CYS A 203 0.406 -7.569 -1.589 1.00 0.00 C ATOM 513 O CYS A 203 1.195 -7.293 -2.473 1.00 0.00 O ATOM 514 CB CYS A 203 -1.787 -6.406 -1.369 1.00 0.00 C ATOM 515 SG CYS A 203 -1.366 -5.034 -2.469 1.00 0.00 S ATOM 0 H CYS A 203 -2.429 -8.658 -0.517 1.00 0.00 H new ATOM 0 HA CYS A 203 -1.244 -7.784 -2.944 1.00 0.00 H new ATOM 0 HB2 CYS A 203 -2.867 -6.550 -1.343 1.00 0.00 H new ATOM 0 HB3 CYS A 203 -1.470 -6.183 -0.350 1.00 0.00 H new ATOM 0 HG CYS A 203 -1.949 -3.949 -2.053 1.00 0.00 H new ATOM 521 N TYR A 204 0.814 -7.770 -0.368 1.00 0.00 N ATOM 522 CA TYR A 204 2.264 -7.658 -0.052 1.00 0.00 C ATOM 523 C TYR A 204 3.055 -8.679 -0.876 1.00 0.00 C ATOM 524 O TYR A 204 4.109 -8.376 -1.405 1.00 0.00 O ATOM 525 CB TYR A 204 2.474 -7.918 1.445 1.00 0.00 C ATOM 526 CG TYR A 204 3.912 -7.635 1.813 1.00 0.00 C ATOM 527 CD1 TYR A 204 4.908 -8.601 1.598 1.00 0.00 C ATOM 528 CD2 TYR A 204 4.249 -6.399 2.375 1.00 0.00 C ATOM 529 CE1 TYR A 204 6.237 -8.323 1.943 1.00 0.00 C ATOM 530 CE2 TYR A 204 5.572 -6.124 2.720 1.00 0.00 C ATOM 531 CZ TYR A 204 6.568 -7.083 2.504 1.00 0.00 C ATOM 532 OH TYR A 204 7.877 -6.809 2.849 1.00 0.00 O ATOM 0 H TYR A 204 0.211 -8.005 0.420 1.00 0.00 H new ATOM 0 HA TYR A 204 2.617 -6.657 -0.300 1.00 0.00 H new ATOM 0 HB2 TYR A 204 1.807 -7.286 2.031 1.00 0.00 H new ATOM 0 HB3 TYR A 204 2.224 -8.952 1.683 1.00 0.00 H new ATOM 0 HD1 TYR A 204 4.650 -9.557 1.167 1.00 0.00 H new ATOM 0 HD2 TYR A 204 3.483 -5.656 2.542 1.00 0.00 H new ATOM 0 HE1 TYR A 204 7.005 -9.064 1.777 1.00 0.00 H new ATOM 0 HE2 TYR A 204 5.828 -5.169 3.155 1.00 0.00 H new ATOM 0 HH TYR A 204 7.919 -5.947 3.314 1.00 0.00 H new ATOM 542 N GLU A 205 2.560 -9.880 -0.993 1.00 0.00 N ATOM 543 CA GLU A 205 3.288 -10.906 -1.785 1.00 0.00 C ATOM 544 C GLU A 205 3.413 -10.429 -3.234 1.00 0.00 C ATOM 545 O GLU A 205 4.444 -10.577 -3.863 1.00 0.00 O ATOM 546 CB GLU A 205 2.506 -12.227 -1.751 1.00 0.00 C ATOM 547 CG GLU A 205 2.559 -12.818 -0.335 1.00 0.00 C ATOM 548 CD GLU A 205 3.980 -13.289 -0.026 1.00 0.00 C ATOM 549 OE1 GLU A 205 4.506 -14.069 -0.801 1.00 0.00 O ATOM 550 OE2 GLU A 205 4.516 -12.864 0.983 1.00 0.00 O ATOM 0 H GLU A 205 1.684 -10.193 -0.575 1.00 0.00 H new ATOM 0 HA GLU A 205 4.280 -11.059 -1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 205 1.471 -12.057 -2.047 1.00 0.00 H new ATOM 0 HB3 GLU A 205 2.930 -12.931 -2.467 1.00 0.00 H new ATOM 0 HG2 GLU A 205 2.247 -12.070 0.394 1.00 0.00 H new ATOM 0 HG3 GLU A 205 1.863 -13.653 -0.253 1.00 0.00 H new ATOM 557 N ARG A 206 2.366 -9.851 -3.768 1.00 0.00 N ATOM 558 CA ARG A 206 2.417 -9.355 -5.176 1.00 0.00 C ATOM 559 C ARG A 206 3.509 -8.284 -5.268 1.00 0.00 C ATOM 560 O ARG A 206 4.260 -8.215 -6.218 1.00 0.00 O ATOM 561 CB ARG A 206 1.048 -8.757 -5.558 1.00 0.00 C ATOM 562 CG ARG A 206 -0.012 -9.861 -5.595 1.00 0.00 C ATOM 563 CD ARG A 206 -1.364 -9.264 -5.996 1.00 0.00 C ATOM 564 NE ARG A 206 -2.455 -10.228 -5.616 1.00 0.00 N ATOM 565 CZ ARG A 206 -2.464 -11.457 -6.066 1.00 0.00 C ATOM 566 NH1 ARG A 206 -1.643 -11.808 -7.003 1.00 0.00 N ATOM 567 NH2 ARG A 206 -3.326 -12.327 -5.613 1.00 0.00 N ATOM 0 H ARG A 206 1.478 -9.702 -3.289 1.00 0.00 H new ATOM 0 HA ARG A 206 2.643 -10.171 -5.862 1.00 0.00 H new ATOM 0 HB2 ARG A 206 0.762 -7.991 -4.837 1.00 0.00 H new ATOM 0 HB3 ARG A 206 1.113 -8.271 -6.531 1.00 0.00 H new ATOM 0 HG2 ARG A 206 0.280 -10.635 -6.305 1.00 0.00 H new ATOM 0 HG3 ARG A 206 -0.089 -10.337 -4.618 1.00 0.00 H new ATOM 0 HD2 ARG A 206 -1.516 -8.307 -5.497 1.00 0.00 H new ATOM 0 HD3 ARG A 206 -1.388 -9.072 -7.069 1.00 0.00 H new ATOM 0 HE ARG A 206 -3.202 -9.918 -4.995 1.00 0.00 H new ATOM 0 HH11 ARG A 206 -0.990 -11.127 -7.390 1.00 0.00 H new ATOM 0 HH12 ARG A 206 -1.649 -12.766 -7.354 1.00 0.00 H new ATOM 0 HH21 ARG A 206 -4.002 -12.052 -4.901 1.00 0.00 H new ATOM 0 HH22 ARG A 206 -3.323 -13.282 -5.972 1.00 0.00 H new ATOM 581 N LEU A 207 3.598 -7.454 -4.273 1.00 0.00 N ATOM 582 CA LEU A 207 4.633 -6.382 -4.261 1.00 0.00 C ATOM 583 C LEU A 207 6.025 -7.011 -4.295 1.00 0.00 C ATOM 584 O LEU A 207 6.936 -6.501 -4.925 1.00 0.00 O ATOM 585 CB LEU A 207 4.488 -5.531 -2.998 1.00 0.00 C ATOM 586 CG LEU A 207 5.519 -4.388 -2.995 1.00 0.00 C ATOM 587 CD1 LEU A 207 5.236 -3.402 -4.138 1.00 0.00 C ATOM 588 CD2 LEU A 207 5.432 -3.654 -1.660 1.00 0.00 C ATOM 0 H LEU A 207 2.990 -7.470 -3.454 1.00 0.00 H new ATOM 0 HA LEU A 207 4.499 -5.748 -5.138 1.00 0.00 H new ATOM 0 HB2 LEU A 207 3.480 -5.119 -2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 207 4.626 -6.155 -2.115 1.00 0.00 H new ATOM 0 HG LEU A 207 6.516 -4.805 -3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 207 5.975 -2.601 -4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 207 5.292 -3.925 -5.092 1.00 0.00 H new ATOM 0 HD13 LEU A 207 4.239 -2.978 -4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 207 6.158 -2.841 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 207 4.429 -3.248 -1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 207 5.647 -4.349 -0.848 1.00 0.00 H new ATOM 600 N GLU A 208 6.218 -8.096 -3.594 1.00 0.00 N ATOM 601 CA GLU A 208 7.566 -8.712 -3.574 1.00 0.00 C ATOM 602 C GLU A 208 7.974 -9.071 -4.997 1.00 0.00 C ATOM 603 O GLU A 208 9.103 -8.867 -5.394 1.00 0.00 O ATOM 604 CB GLU A 208 7.545 -9.988 -2.731 1.00 0.00 C ATOM 605 CG GLU A 208 7.375 -9.623 -1.260 1.00 0.00 C ATOM 606 CD GLU A 208 7.348 -10.897 -0.409 1.00 0.00 C ATOM 607 OE1 GLU A 208 6.690 -11.841 -0.814 1.00 0.00 O ATOM 608 OE2 GLU A 208 7.979 -10.905 0.637 1.00 0.00 O ATOM 0 H GLU A 208 5.506 -8.574 -3.042 1.00 0.00 H new ATOM 0 HA GLU A 208 8.275 -8.004 -3.145 1.00 0.00 H new ATOM 0 HB2 GLU A 208 6.729 -10.636 -3.053 1.00 0.00 H new ATOM 0 HB3 GLU A 208 8.470 -10.546 -2.874 1.00 0.00 H new ATOM 0 HG2 GLU A 208 8.193 -8.978 -0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 208 6.452 -9.061 -1.120 1.00 0.00 H new ATOM 615 N LEU A 209 7.065 -9.580 -5.778 1.00 0.00 N ATOM 616 CA LEU A 209 7.411 -9.924 -7.176 1.00 0.00 C ATOM 617 C LEU A 209 7.786 -8.630 -7.909 1.00 0.00 C ATOM 618 O LEU A 209 8.733 -8.579 -8.669 1.00 0.00 O ATOM 619 CB LEU A 209 6.190 -10.571 -7.823 1.00 0.00 C ATOM 620 CG LEU A 209 6.485 -10.950 -9.278 1.00 0.00 C ATOM 621 CD1 LEU A 209 7.597 -12.010 -9.334 1.00 0.00 C ATOM 622 CD2 LEU A 209 5.200 -11.507 -9.912 1.00 0.00 C ATOM 0 H LEU A 209 6.101 -9.771 -5.506 1.00 0.00 H new ATOM 0 HA LEU A 209 8.251 -10.618 -7.221 1.00 0.00 H new ATOM 0 HB2 LEU A 209 5.903 -11.460 -7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 209 5.345 -9.883 -7.785 1.00 0.00 H new ATOM 0 HG LEU A 209 6.819 -10.069 -9.826 1.00 0.00 H new ATOM 0 HD11 LEU A 209 7.798 -12.272 -10.373 1.00 0.00 H new ATOM 0 HD12 LEU A 209 8.503 -11.611 -8.878 1.00 0.00 H new ATOM 0 HD13 LEU A 209 7.279 -12.900 -8.791 1.00 0.00 H new ATOM 0 HD21 LEU A 209 5.395 -11.781 -10.949 1.00 0.00 H new ATOM 0 HD22 LEU A 209 4.874 -12.388 -9.359 1.00 0.00 H new ATOM 0 HD23 LEU A 209 4.419 -10.747 -9.878 1.00 0.00 H new ATOM 634 N ALA A 210 7.051 -7.573 -7.673 1.00 0.00 N ATOM 635 CA ALA A 210 7.369 -6.284 -8.339 1.00 0.00 C ATOM 636 C ALA A 210 8.745 -5.802 -7.881 1.00 0.00 C ATOM 637 O ALA A 210 9.563 -5.371 -8.670 1.00 0.00 O ATOM 638 CB ALA A 210 6.324 -5.233 -7.951 1.00 0.00 C ATOM 0 H ALA A 210 6.246 -7.552 -7.047 1.00 0.00 H new ATOM 0 HA ALA A 210 7.364 -6.428 -9.419 1.00 0.00 H new ATOM 0 HB1 ALA A 210 6.559 -4.288 -8.441 1.00 0.00 H new ATOM 0 HB2 ALA A 210 5.336 -5.569 -8.266 1.00 0.00 H new ATOM 0 HB3 ALA A 210 6.332 -5.093 -6.870 1.00 0.00 H new ATOM 644 N ALA A 211 9.006 -5.871 -6.605 1.00 0.00 N ATOM 645 CA ALA A 211 10.325 -5.404 -6.091 1.00 0.00 C ATOM 646 C ALA A 211 11.453 -6.164 -6.792 1.00 0.00 C ATOM 647 O ALA A 211 12.490 -5.610 -7.095 1.00 0.00 O ATOM 648 CB ALA A 211 10.393 -5.631 -4.576 1.00 0.00 C ATOM 0 H ALA A 211 8.365 -6.230 -5.897 1.00 0.00 H new ATOM 0 HA ALA A 211 10.440 -4.340 -6.297 1.00 0.00 H new ATOM 0 HB1 ALA A 211 11.357 -5.290 -4.200 1.00 0.00 H new ATOM 0 HB2 ALA A 211 9.595 -5.072 -4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 211 10.275 -6.693 -4.362 1.00 0.00 H new ATOM 654 N ARG A 212 11.259 -7.420 -7.061 1.00 0.00 N ATOM 655 CA ARG A 212 12.320 -8.199 -7.758 1.00 0.00 C ATOM 656 C ARG A 212 12.570 -7.577 -9.143 1.00 0.00 C ATOM 657 O ARG A 212 13.692 -7.503 -9.614 1.00 0.00 O ATOM 658 CB ARG A 212 11.866 -9.655 -7.932 1.00 0.00 C ATOM 659 CG ARG A 212 13.027 -10.491 -8.481 1.00 0.00 C ATOM 660 CD ARG A 212 12.554 -11.925 -8.666 1.00 0.00 C ATOM 661 NE ARG A 212 12.140 -12.494 -7.347 1.00 0.00 N ATOM 662 CZ ARG A 212 12.979 -12.609 -6.355 1.00 0.00 C ATOM 663 NH1 ARG A 212 14.256 -12.382 -6.526 1.00 0.00 N ATOM 664 NH2 ARG A 212 12.540 -13.000 -5.195 1.00 0.00 N ATOM 0 H ARG A 212 10.414 -7.943 -6.830 1.00 0.00 H new ATOM 0 HA ARG A 212 13.236 -8.176 -7.167 1.00 0.00 H new ATOM 0 HB2 ARG A 212 11.533 -10.060 -6.976 1.00 0.00 H new ATOM 0 HB3 ARG A 212 11.016 -9.703 -8.612 1.00 0.00 H new ATOM 0 HG2 ARG A 212 13.371 -10.082 -9.431 1.00 0.00 H new ATOM 0 HG3 ARG A 212 13.873 -10.458 -7.795 1.00 0.00 H new ATOM 0 HD2 ARG A 212 11.718 -11.955 -9.364 1.00 0.00 H new ATOM 0 HD3 ARG A 212 13.352 -12.528 -9.099 1.00 0.00 H new ATOM 0 HE ARG A 212 11.176 -12.801 -7.219 1.00 0.00 H new ATOM 0 HH11 ARG A 212 14.607 -12.111 -7.444 1.00 0.00 H new ATOM 0 HH12 ARG A 212 14.900 -12.476 -5.741 1.00 0.00 H new ATOM 0 HH21 ARG A 212 11.550 -13.213 -5.069 1.00 0.00 H new ATOM 0 HH22 ARG A 212 13.185 -13.094 -4.411 1.00 0.00 H new ATOM 678 N GLU A 213 11.517 -7.151 -9.801 1.00 0.00 N ATOM 679 CA GLU A 213 11.658 -6.553 -11.164 1.00 0.00 C ATOM 680 C GLU A 213 12.355 -5.193 -11.078 1.00 0.00 C ATOM 681 O GLU A 213 13.177 -4.861 -11.906 1.00 0.00 O ATOM 682 CB GLU A 213 10.263 -6.356 -11.772 1.00 0.00 C ATOM 683 CG GLU A 213 9.633 -7.720 -12.051 1.00 0.00 C ATOM 684 CD GLU A 213 10.333 -8.388 -13.237 1.00 0.00 C ATOM 685 OE1 GLU A 213 10.958 -7.679 -14.006 1.00 0.00 O ATOM 686 OE2 GLU A 213 10.226 -9.598 -13.355 1.00 0.00 O ATOM 0 H GLU A 213 10.561 -7.193 -9.448 1.00 0.00 H new ATOM 0 HA GLU A 213 12.253 -7.223 -11.785 1.00 0.00 H new ATOM 0 HB2 GLU A 213 9.634 -5.786 -11.089 1.00 0.00 H new ATOM 0 HB3 GLU A 213 10.335 -5.781 -12.695 1.00 0.00 H new ATOM 0 HG2 GLU A 213 9.712 -8.354 -11.168 1.00 0.00 H new ATOM 0 HG3 GLU A 213 8.571 -7.602 -12.265 1.00 0.00 H new ATOM 693 N HIS A 214 12.020 -4.391 -10.095 1.00 0.00 N ATOM 694 CA HIS A 214 12.654 -3.040 -9.971 1.00 0.00 C ATOM 695 C HIS A 214 13.803 -3.068 -8.959 1.00 0.00 C ATOM 696 O HIS A 214 14.545 -2.118 -8.842 1.00 0.00 O ATOM 697 CB HIS A 214 11.592 -2.034 -9.514 1.00 0.00 C ATOM 698 CG HIS A 214 10.559 -1.871 -10.593 1.00 0.00 C ATOM 699 ND1 HIS A 214 10.787 -1.105 -11.728 1.00 0.00 N ATOM 700 CD2 HIS A 214 9.294 -2.386 -10.733 1.00 0.00 C ATOM 701 CE1 HIS A 214 9.683 -1.180 -12.497 1.00 0.00 C ATOM 702 NE2 HIS A 214 8.743 -1.951 -11.937 1.00 0.00 N ATOM 0 H HIS A 214 11.335 -4.614 -9.373 1.00 0.00 H new ATOM 0 HA HIS A 214 13.059 -2.748 -10.940 1.00 0.00 H new ATOM 0 HB2 HIS A 214 11.121 -2.379 -8.594 1.00 0.00 H new ATOM 0 HB3 HIS A 214 12.057 -1.073 -9.293 1.00 0.00 H new ATOM 0 HD2 HIS A 214 8.801 -3.030 -10.019 1.00 0.00 H new ATOM 0 HE1 HIS A 214 9.571 -0.680 -13.448 1.00 0.00 H new ATOM 0 HE2 HIS A 214 7.820 -2.173 -12.311 1.00 0.00 H new ATOM 710 N GLY A 215 13.956 -4.136 -8.227 1.00 0.00 N ATOM 711 CA GLY A 215 15.056 -4.198 -7.218 1.00 0.00 C ATOM 712 C GLY A 215 14.721 -3.263 -6.058 1.00 0.00 C ATOM 713 O GLY A 215 15.594 -2.767 -5.381 1.00 0.00 O ATOM 0 H GLY A 215 13.369 -4.969 -8.282 1.00 0.00 H new ATOM 0 HA2 GLY A 215 15.177 -5.219 -6.856 1.00 0.00 H new ATOM 0 HA3 GLY A 215 16.002 -3.907 -7.674 1.00 0.00 H new ATOM 717 N TRP A 216 13.461 -3.011 -5.828 1.00 0.00 N ATOM 718 CA TRP A 216 13.071 -2.099 -4.710 1.00 0.00 C ATOM 719 C TRP A 216 13.278 -2.791 -3.366 1.00 0.00 C ATOM 720 O TRP A 216 12.984 -3.960 -3.208 1.00 0.00 O ATOM 721 CB TRP A 216 11.577 -1.765 -4.787 1.00 0.00 C ATOM 722 CG TRP A 216 11.225 -0.931 -5.980 1.00 0.00 C ATOM 723 CD1 TRP A 216 11.964 0.074 -6.507 1.00 0.00 C ATOM 724 CD2 TRP A 216 10.015 -1.011 -6.785 1.00 0.00 C ATOM 725 NE1 TRP A 216 11.279 0.618 -7.578 1.00 0.00 N ATOM 726 CE2 TRP A 216 10.074 -0.020 -7.791 1.00 0.00 C ATOM 727 CE3 TRP A 216 8.882 -1.848 -6.737 1.00 0.00 C ATOM 728 CZ2 TRP A 216 9.043 0.144 -8.717 1.00 0.00 C ATOM 729 CZ3 TRP A 216 7.845 -1.686 -7.670 1.00 0.00 C ATOM 730 CH2 TRP A 216 7.926 -0.691 -8.655 1.00 0.00 C ATOM 0 H TRP A 216 12.684 -3.396 -6.365 1.00 0.00 H new ATOM 0 HA TRP A 216 13.684 -1.202 -4.798 1.00 0.00 H new ATOM 0 HB2 TRP A 216 11.004 -2.692 -4.817 1.00 0.00 H new ATOM 0 HB3 TRP A 216 11.281 -1.236 -3.881 1.00 0.00 H new ATOM 0 HD1 TRP A 216 12.930 0.398 -6.149 1.00 0.00 H new ATOM 0 HE1 TRP A 216 11.622 1.396 -8.142 1.00 0.00 H new ATOM 0 HE3 TRP A 216 8.811 -2.616 -5.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 9.109 0.910 -9.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 6.980 -2.331 -7.629 1.00 0.00 H new ATOM 0 HH2 TRP A 216 7.123 -0.571 -9.367 1.00 0.00 H new ATOM 741 N SER A 217 13.717 -2.061 -2.377 1.00 0.00 N ATOM 742 CA SER A 217 13.865 -2.660 -1.022 1.00 0.00 C ATOM 743 C SER A 217 12.522 -2.449 -0.315 1.00 0.00 C ATOM 744 O SER A 217 12.214 -1.363 0.139 1.00 0.00 O ATOM 745 CB SER A 217 14.985 -1.952 -0.246 1.00 0.00 C ATOM 746 OG SER A 217 16.255 -2.370 -0.748 1.00 0.00 O ATOM 0 H SER A 217 13.979 -1.078 -2.449 1.00 0.00 H new ATOM 0 HA SER A 217 14.125 -3.717 -1.082 1.00 0.00 H new ATOM 0 HB2 SER A 217 14.882 -0.871 -0.344 1.00 0.00 H new ATOM 0 HB3 SER A 217 14.908 -2.185 0.816 1.00 0.00 H new ATOM 0 HG SER A 217 16.968 -1.916 -0.253 1.00 0.00 H new ATOM 752 N ILE A 218 11.697 -3.460 -0.260 1.00 0.00 N ATOM 753 CA ILE A 218 10.363 -3.286 0.376 1.00 0.00 C ATOM 754 C ILE A 218 10.524 -3.145 1.901 1.00 0.00 C ATOM 755 O ILE A 218 11.435 -3.702 2.478 1.00 0.00 O ATOM 756 CB ILE A 218 9.487 -4.501 0.036 1.00 0.00 C ATOM 757 CG1 ILE A 218 9.928 -5.732 0.852 1.00 0.00 C ATOM 758 CG2 ILE A 218 9.593 -4.793 -1.469 1.00 0.00 C ATOM 759 CD1 ILE A 218 9.225 -6.987 0.326 1.00 0.00 C ATOM 0 H ILE A 218 11.889 -4.393 -0.626 1.00 0.00 H new ATOM 0 HA ILE A 218 9.886 -2.382 -0.002 1.00 0.00 H new ATOM 0 HB ILE A 218 8.451 -4.280 0.292 1.00 0.00 H new ATOM 0 HG12 ILE A 218 11.009 -5.855 0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 218 9.689 -5.585 1.905 1.00 0.00 H new ATOM 0 HG21 ILE A 218 8.973 -5.655 -1.717 1.00 0.00 H new ATOM 0 HG22 ILE A 218 9.251 -3.925 -2.033 1.00 0.00 H new ATOM 0 HG23 ILE A 218 10.631 -5.006 -1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 218 9.542 -7.852 0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 218 8.146 -6.864 0.417 1.00 0.00 H new ATOM 0 HD13 ILE A 218 9.486 -7.138 -0.721 1.00 0.00 H new ATOM 771 N PRO A 219 9.646 -2.414 2.558 1.00 0.00 N ATOM 772 CA PRO A 219 9.719 -2.224 4.036 1.00 0.00 C ATOM 773 C PRO A 219 9.239 -3.458 4.787 1.00 0.00 C ATOM 774 O PRO A 219 8.568 -4.309 4.236 1.00 0.00 O ATOM 775 CB PRO A 219 8.783 -1.037 4.286 1.00 0.00 C ATOM 776 CG PRO A 219 7.750 -1.162 3.221 1.00 0.00 C ATOM 777 CD PRO A 219 8.493 -1.685 1.985 1.00 0.00 C ATOM 0 HA PRO A 219 10.737 -2.053 4.385 1.00 0.00 H new ATOM 0 HB2 PRO A 219 8.339 -1.082 5.280 1.00 0.00 H new ATOM 0 HB3 PRO A 219 9.315 -0.088 4.217 1.00 0.00 H new ATOM 0 HG2 PRO A 219 6.958 -1.848 3.522 1.00 0.00 H new ATOM 0 HG3 PRO A 219 7.279 -0.201 3.017 1.00 0.00 H new ATOM 0 HD2 PRO A 219 7.862 -2.340 1.385 1.00 0.00 H new ATOM 0 HD3 PRO A 219 8.815 -0.871 1.336 1.00 0.00 H new ATOM 785 N SER A 220 9.578 -3.562 6.040 1.00 0.00 N ATOM 786 CA SER A 220 9.136 -4.740 6.825 1.00 0.00 C ATOM 787 C SER A 220 7.611 -4.764 6.849 1.00 0.00 C ATOM 788 O SER A 220 6.975 -3.733 6.893 1.00 0.00 O ATOM 789 CB SER A 220 9.667 -4.639 8.253 1.00 0.00 C ATOM 790 OG SER A 220 8.885 -3.701 8.977 1.00 0.00 O ATOM 0 H SER A 220 10.141 -2.882 6.552 1.00 0.00 H new ATOM 0 HA SER A 220 9.519 -5.653 6.369 1.00 0.00 H new ATOM 0 HB2 SER A 220 9.628 -5.614 8.738 1.00 0.00 H new ATOM 0 HB3 SER A 220 10.712 -4.329 8.244 1.00 0.00 H new ATOM 0 HG SER A 220 9.056 -3.804 9.936 1.00 0.00 H new ATOM 796 N ARG A 221 7.018 -5.922 6.809 1.00 0.00 N ATOM 797 CA ARG A 221 5.532 -5.991 6.821 1.00 0.00 C ATOM 798 C ARG A 221 5.000 -5.186 8.010 1.00 0.00 C ATOM 799 O ARG A 221 4.045 -4.448 7.892 1.00 0.00 O ATOM 800 CB ARG A 221 5.095 -7.453 6.973 1.00 0.00 C ATOM 801 CG ARG A 221 5.720 -8.326 5.849 1.00 0.00 C ATOM 802 CD ARG A 221 6.884 -9.155 6.406 1.00 0.00 C ATOM 803 NE ARG A 221 7.668 -9.755 5.283 1.00 0.00 N ATOM 804 CZ ARG A 221 8.871 -10.210 5.508 1.00 0.00 C ATOM 805 NH1 ARG A 221 9.381 -10.113 6.699 1.00 0.00 N ATOM 806 NH2 ARG A 221 9.562 -10.761 4.542 1.00 0.00 N ATOM 0 H ARG A 221 7.496 -6.822 6.769 1.00 0.00 H new ATOM 0 HA ARG A 221 5.139 -5.582 5.890 1.00 0.00 H new ATOM 0 HB2 ARG A 221 5.401 -7.831 7.948 1.00 0.00 H new ATOM 0 HB3 ARG A 221 4.008 -7.520 6.932 1.00 0.00 H new ATOM 0 HG2 ARG A 221 4.962 -8.987 5.428 1.00 0.00 H new ATOM 0 HG3 ARG A 221 6.073 -7.689 5.038 1.00 0.00 H new ATOM 0 HD2 ARG A 221 7.531 -8.525 7.016 1.00 0.00 H new ATOM 0 HD3 ARG A 221 6.502 -9.943 7.055 1.00 0.00 H new ATOM 0 HE ARG A 221 7.266 -9.809 4.347 1.00 0.00 H new ATOM 0 HH11 ARG A 221 8.842 -9.684 7.451 1.00 0.00 H new ATOM 0 HH12 ARG A 221 10.320 -10.466 6.882 1.00 0.00 H new ATOM 0 HH21 ARG A 221 9.161 -10.837 3.607 1.00 0.00 H new ATOM 0 HH22 ARG A 221 10.501 -11.114 4.724 1.00 0.00 H new ATOM 820 N ALA A 222 5.617 -5.323 9.152 1.00 0.00 N ATOM 821 CA ALA A 222 5.164 -4.565 10.353 1.00 0.00 C ATOM 822 C ALA A 222 5.300 -3.059 10.099 1.00 0.00 C ATOM 823 O ALA A 222 4.454 -2.277 10.486 1.00 0.00 O ATOM 824 CB ALA A 222 6.032 -4.965 11.552 1.00 0.00 C ATOM 0 H ALA A 222 6.421 -5.932 9.305 1.00 0.00 H new ATOM 0 HA ALA A 222 4.119 -4.797 10.559 1.00 0.00 H new ATOM 0 HB1 ALA A 222 5.708 -4.415 12.436 1.00 0.00 H new ATOM 0 HB2 ALA A 222 5.931 -6.035 11.733 1.00 0.00 H new ATOM 0 HB3 ALA A 222 7.075 -4.729 11.341 1.00 0.00 H new ATOM 830 N THR A 223 6.361 -2.640 9.455 1.00 0.00 N ATOM 831 CA THR A 223 6.540 -1.187 9.195 1.00 0.00 C ATOM 832 C THR A 223 5.469 -0.701 8.211 1.00 0.00 C ATOM 833 O THR A 223 4.918 0.372 8.360 1.00 0.00 O ATOM 834 CB THR A 223 7.934 -0.962 8.586 1.00 0.00 C ATOM 835 OG1 THR A 223 8.938 -1.338 9.526 1.00 0.00 O ATOM 836 CG2 THR A 223 8.119 0.515 8.208 1.00 0.00 C ATOM 0 H THR A 223 7.105 -3.241 9.101 1.00 0.00 H new ATOM 0 HA THR A 223 6.445 -0.631 10.128 1.00 0.00 H new ATOM 0 HB THR A 223 8.025 -1.574 7.689 1.00 0.00 H new ATOM 0 HG1 THR A 223 9.325 -2.199 9.264 1.00 0.00 H new ATOM 0 HG21 THR A 223 9.110 0.659 7.778 1.00 0.00 H new ATOM 0 HG22 THR A 223 7.362 0.801 7.478 1.00 0.00 H new ATOM 0 HG23 THR A 223 8.016 1.134 9.099 1.00 0.00 H new ATOM 844 N ALA A 224 5.176 -1.479 7.202 1.00 0.00 N ATOM 845 CA ALA A 224 4.161 -1.049 6.196 1.00 0.00 C ATOM 846 C ALA A 224 2.793 -0.846 6.847 1.00 0.00 C ATOM 847 O ALA A 224 2.208 0.210 6.745 1.00 0.00 O ATOM 848 CB ALA A 224 4.035 -2.130 5.110 1.00 0.00 C ATOM 0 H ALA A 224 5.596 -2.393 7.031 1.00 0.00 H new ATOM 0 HA ALA A 224 4.488 -0.104 5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 224 3.294 -1.820 4.373 1.00 0.00 H new ATOM 0 HB2 ALA A 224 4.999 -2.268 4.620 1.00 0.00 H new ATOM 0 HB3 ALA A 224 3.722 -3.069 5.566 1.00 0.00 H new ATOM 854 N PHE A 225 2.273 -1.847 7.499 1.00 0.00 N ATOM 855 CA PHE A 225 0.922 -1.711 8.127 1.00 0.00 C ATOM 856 C PHE A 225 0.913 -0.591 9.166 1.00 0.00 C ATOM 857 O PHE A 225 -0.052 0.139 9.291 1.00 0.00 O ATOM 858 CB PHE A 225 0.507 -3.029 8.779 1.00 0.00 C ATOM 859 CG PHE A 225 -0.892 -2.889 9.361 1.00 0.00 C ATOM 860 CD1 PHE A 225 -1.986 -2.623 8.518 1.00 0.00 C ATOM 861 CD2 PHE A 225 -1.100 -3.033 10.747 1.00 0.00 C ATOM 862 CE1 PHE A 225 -3.269 -2.503 9.057 1.00 0.00 C ATOM 863 CE2 PHE A 225 -2.386 -2.910 11.281 1.00 0.00 C ATOM 864 CZ PHE A 225 -3.471 -2.644 10.435 1.00 0.00 C ATOM 0 H PHE A 225 2.721 -2.754 7.626 1.00 0.00 H new ATOM 0 HA PHE A 225 0.208 -1.459 7.343 1.00 0.00 H new ATOM 0 HB2 PHE A 225 0.528 -3.833 8.043 1.00 0.00 H new ATOM 0 HB3 PHE A 225 1.214 -3.297 9.564 1.00 0.00 H new ATOM 0 HD1 PHE A 225 -1.834 -2.512 7.455 1.00 0.00 H new ATOM 0 HD2 PHE A 225 -0.264 -3.239 11.399 1.00 0.00 H new ATOM 0 HE1 PHE A 225 -4.108 -2.301 8.408 1.00 0.00 H new ATOM 0 HE2 PHE A 225 -2.543 -3.020 12.344 1.00 0.00 H new ATOM 0 HZ PHE A 225 -4.465 -2.548 10.847 1.00 0.00 H new ATOM 874 N ARG A 226 1.955 -0.443 9.926 1.00 0.00 N ATOM 875 CA ARG A 226 1.931 0.643 10.952 1.00 0.00 C ATOM 876 C ARG A 226 1.755 1.975 10.229 1.00 0.00 C ATOM 877 O ARG A 226 1.026 2.841 10.669 1.00 0.00 O ATOM 878 CB ARG A 226 3.251 0.666 11.725 1.00 0.00 C ATOM 879 CG ARG A 226 3.360 -0.563 12.639 1.00 0.00 C ATOM 880 CD ARG A 226 2.617 -0.326 13.956 1.00 0.00 C ATOM 881 NE ARG A 226 3.345 0.708 14.746 1.00 0.00 N ATOM 882 CZ ARG A 226 2.777 1.263 15.774 1.00 0.00 C ATOM 883 NH1 ARG A 226 1.572 0.916 16.125 1.00 0.00 N ATOM 884 NH2 ARG A 226 3.422 2.159 16.458 1.00 0.00 N ATOM 0 H ARG A 226 2.804 -1.007 9.890 1.00 0.00 H new ATOM 0 HA ARG A 226 1.114 0.471 11.653 1.00 0.00 H new ATOM 0 HB2 ARG A 226 4.088 0.683 11.027 1.00 0.00 H new ATOM 0 HB3 ARG A 226 3.315 1.577 12.321 1.00 0.00 H new ATOM 0 HG2 ARG A 226 2.946 -1.436 12.134 1.00 0.00 H new ATOM 0 HG3 ARG A 226 4.409 -0.780 12.841 1.00 0.00 H new ATOM 0 HD2 ARG A 226 1.596 0.001 13.759 1.00 0.00 H new ATOM 0 HD3 ARG A 226 2.550 -1.255 14.523 1.00 0.00 H new ATOM 0 HE ARG A 226 4.291 0.980 14.479 1.00 0.00 H new ATOM 0 HH11 ARG A 226 1.070 0.206 15.592 1.00 0.00 H new ATOM 0 HH12 ARG A 226 1.130 1.354 16.933 1.00 0.00 H new ATOM 0 HH21 ARG A 226 4.369 2.423 16.187 1.00 0.00 H new ATOM 0 HH22 ARG A 226 2.981 2.598 17.266 1.00 0.00 H new ATOM 898 N ARG A 227 2.408 2.134 9.115 1.00 0.00 N ATOM 899 CA ARG A 227 2.272 3.394 8.331 1.00 0.00 C ATOM 900 C ARG A 227 0.849 3.489 7.758 1.00 0.00 C ATOM 901 O ARG A 227 0.250 4.551 7.717 1.00 0.00 O ATOM 902 CB ARG A 227 3.293 3.389 7.198 1.00 0.00 C ATOM 903 CG ARG A 227 4.691 3.533 7.804 1.00 0.00 C ATOM 904 CD ARG A 227 5.746 3.527 6.707 1.00 0.00 C ATOM 905 NE ARG A 227 5.617 4.773 5.896 1.00 0.00 N ATOM 906 CZ ARG A 227 6.560 5.109 5.053 1.00 0.00 C ATOM 907 NH1 ARG A 227 7.642 4.384 4.962 1.00 0.00 N ATOM 908 NH2 ARG A 227 6.434 6.172 4.308 1.00 0.00 N ATOM 0 H ARG A 227 3.036 1.440 8.709 1.00 0.00 H new ATOM 0 HA ARG A 227 2.453 4.254 8.976 1.00 0.00 H new ATOM 0 HB2 ARG A 227 3.221 2.463 6.627 1.00 0.00 H new ATOM 0 HB3 ARG A 227 3.094 4.207 6.505 1.00 0.00 H new ATOM 0 HG2 ARG A 227 4.754 4.460 8.373 1.00 0.00 H new ATOM 0 HG3 ARG A 227 4.878 2.717 8.502 1.00 0.00 H new ATOM 0 HD2 ARG A 227 6.742 3.465 7.144 1.00 0.00 H new ATOM 0 HD3 ARG A 227 5.622 2.650 6.071 1.00 0.00 H new ATOM 0 HE ARG A 227 4.792 5.364 5.999 1.00 0.00 H new ATOM 0 HH11 ARG A 227 7.752 3.556 5.548 1.00 0.00 H new ATOM 0 HH12 ARG A 227 8.377 4.645 4.305 1.00 0.00 H new ATOM 0 HH21 ARG A 227 5.596 6.749 4.380 1.00 0.00 H new ATOM 0 HH22 ARG A 227 7.174 6.427 3.654 1.00 0.00 H new ATOM 922 N ILE A 228 0.302 2.383 7.308 1.00 0.00 N ATOM 923 CA ILE A 228 -1.074 2.412 6.738 1.00 0.00 C ATOM 924 C ILE A 228 -2.057 2.843 7.830 1.00 0.00 C ATOM 925 O ILE A 228 -2.979 3.601 7.598 1.00 0.00 O ATOM 926 CB ILE A 228 -1.466 1.015 6.251 1.00 0.00 C ATOM 927 CG1 ILE A 228 -0.508 0.540 5.138 1.00 0.00 C ATOM 928 CG2 ILE A 228 -2.902 1.067 5.735 1.00 0.00 C ATOM 929 CD1 ILE A 228 -0.916 1.087 3.764 1.00 0.00 C ATOM 0 H ILE A 228 0.751 1.467 7.313 1.00 0.00 H new ATOM 0 HA ILE A 228 -1.101 3.111 5.902 1.00 0.00 H new ATOM 0 HB ILE A 228 -1.395 0.305 7.075 1.00 0.00 H new ATOM 0 HG12 ILE A 228 0.507 0.862 5.370 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -0.498 -0.550 5.107 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -3.198 0.079 5.383 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -3.567 1.380 6.540 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -2.968 1.779 4.913 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -0.217 0.730 3.008 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -1.921 0.744 3.520 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -0.900 2.177 3.787 1.00 0.00 H new ATOM 941 N GLN A 229 -1.863 2.361 9.023 1.00 0.00 N ATOM 942 CA GLN A 229 -2.774 2.733 10.143 1.00 0.00 C ATOM 943 C GLN A 229 -2.665 4.239 10.415 1.00 0.00 C ATOM 944 O GLN A 229 -3.601 4.858 10.876 1.00 0.00 O ATOM 945 CB GLN A 229 -2.385 1.936 11.396 1.00 0.00 C ATOM 946 CG GLN A 229 -3.305 2.308 12.556 1.00 0.00 C ATOM 947 CD GLN A 229 -2.961 1.450 13.781 1.00 0.00 C ATOM 948 OE1 GLN A 229 -2.418 1.945 14.750 1.00 0.00 O ATOM 949 NE2 GLN A 229 -3.260 0.177 13.781 1.00 0.00 N ATOM 0 H GLN A 229 -1.109 1.722 9.274 1.00 0.00 H new ATOM 0 HA GLN A 229 -3.804 2.498 9.876 1.00 0.00 H new ATOM 0 HB2 GLN A 229 -2.455 0.867 11.194 1.00 0.00 H new ATOM 0 HB3 GLN A 229 -1.348 2.143 11.662 1.00 0.00 H new ATOM 0 HG2 GLN A 229 -3.194 3.365 12.797 1.00 0.00 H new ATOM 0 HG3 GLN A 229 -4.346 2.154 12.272 1.00 0.00 H new ATOM 0 HE21 GLN A 229 -3.715 -0.240 12.969 1.00 0.00 H new ATOM 0 HE22 GLN A 229 -3.038 -0.399 14.593 1.00 0.00 H new ATOM 958 N GLN A 230 -1.532 4.829 10.142 1.00 0.00 N ATOM 959 CA GLN A 230 -1.362 6.289 10.398 1.00 0.00 C ATOM 960 C GLN A 230 -2.030 7.100 9.282 1.00 0.00 C ATOM 961 O GLN A 230 -2.156 8.305 9.368 1.00 0.00 O ATOM 962 CB GLN A 230 0.139 6.619 10.455 1.00 0.00 C ATOM 963 CG GLN A 230 0.747 5.998 11.717 1.00 0.00 C ATOM 964 CD GLN A 230 0.244 6.763 12.945 1.00 0.00 C ATOM 965 OE1 GLN A 230 0.098 7.965 12.895 1.00 0.00 O ATOM 966 NE2 GLN A 230 -0.010 6.123 14.057 1.00 0.00 N ATOM 0 H GLN A 230 -0.714 4.361 9.751 1.00 0.00 H new ATOM 0 HA GLN A 230 -1.831 6.547 11.347 1.00 0.00 H new ATOM 0 HB2 GLN A 230 0.642 6.234 9.568 1.00 0.00 H new ATOM 0 HB3 GLN A 230 0.286 7.699 10.461 1.00 0.00 H new ATOM 0 HG2 GLN A 230 0.470 4.946 11.790 1.00 0.00 H new ATOM 0 HG3 GLN A 230 1.835 6.038 11.669 1.00 0.00 H new ATOM 0 HE21 GLN A 230 0.112 5.111 14.102 1.00 0.00 H new ATOM 0 HE22 GLN A 230 -0.330 6.636 14.879 1.00 0.00 H new ATOM 975 N LEU A 231 -2.474 6.457 8.239 1.00 0.00 N ATOM 976 CA LEU A 231 -3.148 7.216 7.149 1.00 0.00 C ATOM 977 C LEU A 231 -4.501 7.720 7.650 1.00 0.00 C ATOM 978 O LEU A 231 -4.964 8.741 7.206 1.00 0.00 O ATOM 979 CB LEU A 231 -3.348 6.320 5.932 1.00 0.00 C ATOM 980 CG LEU A 231 -1.985 5.875 5.395 1.00 0.00 C ATOM 981 CD1 LEU A 231 -2.209 4.918 4.232 1.00 0.00 C ATOM 982 CD2 LEU A 231 -1.177 7.091 4.910 1.00 0.00 C ATOM 0 H LEU A 231 -2.401 5.450 8.094 1.00 0.00 H new ATOM 0 HA LEU A 231 -2.526 8.063 6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 231 -3.946 5.450 6.202 1.00 0.00 H new ATOM 0 HB3 LEU A 231 -3.898 6.857 5.159 1.00 0.00 H new ATOM 0 HG LEU A 231 -1.426 5.381 6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 231 -1.246 4.592 3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 231 -2.772 4.051 4.577 1.00 0.00 H new ATOM 0 HD13 LEU A 231 -2.769 5.425 3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 231 -0.211 6.758 4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 231 -1.724 7.597 4.114 1.00 0.00 H new ATOM 0 HD23 LEU A 231 -1.023 7.780 5.740 1.00 0.00 H new ATOM 994 N ASP A 232 -5.106 6.989 8.569 1.00 0.00 N ATOM 995 CA ASP A 232 -6.443 7.351 9.185 1.00 0.00 C ATOM 996 C ASP A 232 -7.547 6.389 8.724 1.00 0.00 C ATOM 997 O ASP A 232 -7.485 5.794 7.664 1.00 0.00 O ATOM 998 CB ASP A 232 -6.883 8.793 8.885 1.00 0.00 C ATOM 999 CG ASP A 232 -5.798 9.785 9.325 1.00 0.00 C ATOM 1000 OD1 ASP A 232 -4.968 9.406 10.136 1.00 0.00 O ATOM 1001 OD2 ASP A 232 -5.808 10.902 8.829 1.00 0.00 O ATOM 0 H ASP A 232 -4.713 6.121 8.933 1.00 0.00 H new ATOM 0 HA ASP A 232 -6.296 7.264 10.262 1.00 0.00 H new ATOM 0 HB2 ASP A 232 -7.078 8.906 7.819 1.00 0.00 H new ATOM 0 HB3 ASP A 232 -7.816 9.011 9.404 1.00 0.00 H new ATOM 1006 N GLU A 233 -8.560 6.242 9.544 1.00 0.00 N ATOM 1007 CA GLU A 233 -9.696 5.333 9.217 1.00 0.00 C ATOM 1008 C GLU A 233 -10.357 5.810 7.920 1.00 0.00 C ATOM 1009 O GLU A 233 -10.889 5.035 7.160 1.00 0.00 O ATOM 1010 CB GLU A 233 -10.724 5.347 10.356 1.00 0.00 C ATOM 1011 CG GLU A 233 -10.137 4.674 11.599 1.00 0.00 C ATOM 1012 CD GLU A 233 -9.137 5.625 12.246 1.00 0.00 C ATOM 1013 OE1 GLU A 233 -9.575 6.510 12.960 1.00 0.00 O ATOM 1014 OE2 GLU A 233 -7.953 5.454 12.012 1.00 0.00 O ATOM 0 H GLU A 233 -8.646 6.723 10.440 1.00 0.00 H new ATOM 0 HA GLU A 233 -9.325 4.316 9.091 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -11.008 6.373 10.588 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -11.631 4.828 10.045 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -10.931 4.424 12.303 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -9.647 3.739 11.326 1.00 0.00 H new ATOM 1021 N ALA A 234 -10.324 7.088 7.664 1.00 0.00 N ATOM 1022 CA ALA A 234 -10.941 7.612 6.415 1.00 0.00 C ATOM 1023 C ALA A 234 -10.258 6.937 5.239 1.00 0.00 C ATOM 1024 O ALA A 234 -10.864 6.660 4.221 1.00 0.00 O ATOM 1025 CB ALA A 234 -10.725 9.122 6.326 1.00 0.00 C ATOM 0 H ALA A 234 -9.896 7.792 8.266 1.00 0.00 H new ATOM 0 HA ALA A 234 -12.012 7.408 6.408 1.00 0.00 H new ATOM 0 HB1 ALA A 234 -11.178 9.501 5.410 1.00 0.00 H new ATOM 0 HB2 ALA A 234 -11.186 9.607 7.187 1.00 0.00 H new ATOM 0 HB3 ALA A 234 -9.656 9.337 6.318 1.00 0.00 H new ATOM 1031 N MET A 235 -8.999 6.644 5.394 1.00 0.00 N ATOM 1032 CA MET A 235 -8.249 5.949 4.316 1.00 0.00 C ATOM 1033 C MET A 235 -8.928 4.601 4.057 1.00 0.00 C ATOM 1034 O MET A 235 -9.044 4.174 2.931 1.00 0.00 O ATOM 1035 CB MET A 235 -6.795 5.729 4.754 1.00 0.00 C ATOM 1036 CG MET A 235 -5.951 5.228 3.570 1.00 0.00 C ATOM 1037 SD MET A 235 -6.378 3.510 3.166 1.00 0.00 S ATOM 1038 CE MET A 235 -5.872 2.762 4.738 1.00 0.00 C ATOM 0 H MET A 235 -8.454 6.858 6.229 1.00 0.00 H new ATOM 0 HA MET A 235 -8.248 6.550 3.406 1.00 0.00 H new ATOM 0 HB2 MET A 235 -6.379 6.660 5.138 1.00 0.00 H new ATOM 0 HB3 MET A 235 -6.759 5.005 5.568 1.00 0.00 H new ATOM 0 HG2 MET A 235 -6.119 5.864 2.701 1.00 0.00 H new ATOM 0 HG3 MET A 235 -4.891 5.297 3.816 1.00 0.00 H new ATOM 0 HE1 MET A 235 -5.286 1.864 4.542 1.00 0.00 H new ATOM 0 HE2 MET A 235 -5.268 3.473 5.302 1.00 0.00 H new ATOM 0 HE3 MET A 235 -6.757 2.498 5.317 1.00 0.00 H new ATOM 1048 N VAL A 236 -9.377 3.923 5.085 1.00 0.00 N ATOM 1049 CA VAL A 236 -10.049 2.605 4.870 1.00 0.00 C ATOM 1050 C VAL A 236 -11.281 2.829 3.989 1.00 0.00 C ATOM 1051 O VAL A 236 -11.569 2.056 3.096 1.00 0.00 O ATOM 1052 CB VAL A 236 -10.493 2.032 6.217 1.00 0.00 C ATOM 1053 CG1 VAL A 236 -11.370 0.790 6.004 1.00 0.00 C ATOM 1054 CG2 VAL A 236 -9.261 1.647 7.032 1.00 0.00 C ATOM 0 H VAL A 236 -9.308 4.223 6.057 1.00 0.00 H new ATOM 0 HA VAL A 236 -9.361 1.908 4.391 1.00 0.00 H new ATOM 0 HB VAL A 236 -11.071 2.787 6.750 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -11.679 0.393 6.971 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -12.252 1.063 5.425 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -10.802 0.032 5.465 1.00 0.00 H new ATOM 0 HG21 VAL A 236 -9.574 1.238 7.993 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -8.685 0.898 6.489 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -8.643 2.530 7.197 1.00 0.00 H new ATOM 1064 N VAL A 237 -11.998 3.894 4.224 1.00 0.00 N ATOM 1065 CA VAL A 237 -13.194 4.192 3.389 1.00 0.00 C ATOM 1066 C VAL A 237 -12.704 4.479 1.973 1.00 0.00 C ATOM 1067 O VAL A 237 -13.370 4.208 0.994 1.00 0.00 O ATOM 1068 CB VAL A 237 -13.915 5.432 3.931 1.00 0.00 C ATOM 1069 CG1 VAL A 237 -15.087 5.791 3.018 1.00 0.00 C ATOM 1070 CG2 VAL A 237 -14.440 5.141 5.342 1.00 0.00 C ATOM 0 H VAL A 237 -11.805 4.572 4.961 1.00 0.00 H new ATOM 0 HA VAL A 237 -13.886 3.350 3.404 1.00 0.00 H new ATOM 0 HB VAL A 237 -13.216 6.268 3.965 1.00 0.00 H new ATOM 0 HG11 VAL A 237 -15.595 6.673 3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 237 -14.716 6.000 2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 237 -15.787 4.956 2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 237 -14.953 6.022 5.728 1.00 0.00 H new ATOM 0 HG22 VAL A 237 -15.136 4.303 5.306 1.00 0.00 H new ATOM 0 HG23 VAL A 237 -13.605 4.891 5.997 1.00 0.00 H new ATOM 1080 N ALA A 238 -11.531 5.035 1.868 1.00 0.00 N ATOM 1081 CA ALA A 238 -10.970 5.347 0.532 1.00 0.00 C ATOM 1082 C ALA A 238 -10.841 4.040 -0.254 1.00 0.00 C ATOM 1083 O ALA A 238 -11.114 3.992 -1.435 1.00 0.00 O ATOM 1084 CB ALA A 238 -9.597 6.009 0.688 1.00 0.00 C ATOM 0 H ALA A 238 -10.935 5.287 2.657 1.00 0.00 H new ATOM 0 HA ALA A 238 -11.625 6.036 -0.001 1.00 0.00 H new ATOM 0 HB1 ALA A 238 -9.189 6.236 -0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 238 -9.701 6.931 1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 238 -8.924 5.331 1.212 1.00 0.00 H new