USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 496 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 341 CYS SG : rot -101:sc= 0.851 USER MOD Set 1.2: A 346 CYS SG : rot -44:sc= 2.4! USER MOD Set 1.3: A 348 THR OG1 : rot 124:sc= 1.92 USER MOD Set 1.4: A 385 CYS SG : rot -66:sc= -3.02! USER MOD Set 1.5: A 388 HIS : no HE2:sc= -0.283 K(o=1.9,f=-3.5!) USER MOD Set 2.1: A 342 HIS :FLIP no HD1:sc= -1.47 F(o=-2.1!,f=-1.5) USER MOD Set 2.2: A 384 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 353 THR OG1 : rot 180:sc= 0.802 USER MOD Set 3.2: A 357 LYS NZ :NH3+ -178:sc= 0.649 (180deg=-0.233) USER MOD Set 4.1: A 327 CYS SG : rot -116:sc= 0.0903 USER MOD Set 4.2: A 330 CYS SG : rot 50:sc= 0.575! USER MOD Set 4.3: A 338 SER OG : rot 180:sc= 0 USER MOD Set 4.4: A 351 HIS : no HE2:sc= -1.37 K(o=-2.1,f=-6.9!) USER MOD Set 4.5: A 354 CYS SG : rot 160:sc= -1.44! USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD Single : A 328 TYR OH : rot 120:sc= 0.603 USER MOD Single : A 331 LYS NZ :NH3+ -166:sc= -0.0199 (180deg=-0.244) USER MOD Single : A 332 GLN : amide:sc= -0.47 X(o=-0.47,f=-0.42) USER MOD Single : A 333 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 340 GLN : amide:sc= -0.158 K(o=-0.16,f=-2.5!) USER MOD Single : A 343 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 345 ASN : amide:sc= -0.048 X(o=-0.048,f=-0.12) USER MOD Single : A 347 TYR OH : rot 180:sc= 0 USER MOD Single : A 356 GLN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 361 TYR OH : rot 180:sc= 0 USER MOD Single : A 362 MET CE :methyl -168:sc= 0 (180deg=-0.242) USER MOD Single : A 363 LYS NZ :NH3+ 155:sc= -0.0118 (180deg=-0.318) USER MOD Single : A 364 MET CE :methyl -157:sc=-0.00147 (180deg=-0.575) USER MOD Single : A 368 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 371 THR OG1 : rot 180:sc= 0 USER MOD Single : A 375 THR OG1 : rot 180:sc= 0 USER MOD Single : A 376 THR OG1 : rot 180:sc= -0.829 USER MOD Single : A 378 SER OG : rot 164:sc= 1.11 USER MOD Single : A 381 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 382 THR OG1 : rot 180:sc= 0 USER MOD Single : A 389 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 159 N LEU A 325 -2.446 8.997 -5.411 1.00 0.00 N ATOM 160 CA LEU A 325 -1.744 8.044 -6.274 1.00 0.00 C ATOM 161 C LEU A 325 -2.715 7.029 -6.869 1.00 0.00 C ATOM 162 O LEU A 325 -3.238 6.154 -6.170 1.00 0.00 O ATOM 163 CB LEU A 325 -0.623 7.328 -5.508 1.00 0.00 C ATOM 164 CG LEU A 325 0.403 8.252 -4.846 1.00 0.00 C ATOM 165 CD1 LEU A 325 1.412 7.442 -4.047 1.00 0.00 C ATOM 166 CD2 LEU A 325 1.109 9.106 -5.888 1.00 0.00 C ATOM 0 HA LEU A 325 -1.293 8.607 -7.091 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -1.073 6.700 -4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -0.100 6.664 -6.196 1.00 0.00 H new ATOM 0 HG LEU A 325 -0.126 8.916 -4.162 1.00 0.00 H new ATOM 0 HD11 LEU A 325 2.133 8.115 -3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 325 0.893 6.877 -3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 325 1.933 6.753 -4.711 1.00 0.00 H new ATOM 0 HD21 LEU A 325 1.834 9.755 -5.396 1.00 0.00 H new ATOM 0 HD22 LEU A 325 1.624 8.460 -6.599 1.00 0.00 H new ATOM 0 HD23 LEU A 325 0.376 9.715 -6.416 1.00 0.00 H new ATOM 178 N THR A 326 -2.959 7.153 -8.165 1.00 0.00 N ATOM 179 CA THR A 326 -3.907 6.289 -8.845 1.00 0.00 C ATOM 180 C THR A 326 -3.406 4.852 -8.884 1.00 0.00 C ATOM 181 O THR A 326 -2.307 4.565 -9.360 1.00 0.00 O ATOM 182 CB THR A 326 -4.180 6.752 -10.283 1.00 0.00 C ATOM 183 OG1 THR A 326 -4.417 8.168 -10.311 1.00 0.00 O ATOM 184 CG2 THR A 326 -5.384 6.023 -10.868 1.00 0.00 C ATOM 0 H THR A 326 -2.512 7.845 -8.766 1.00 0.00 H new ATOM 0 HA THR A 326 -4.835 6.343 -8.275 1.00 0.00 H new ATOM 0 HB THR A 326 -3.302 6.519 -10.886 1.00 0.00 H new ATOM 0 HG1 THR A 326 -4.588 8.453 -11.233 1.00 0.00 H new ATOM 0 HG21 THR A 326 -5.558 6.368 -11.887 1.00 0.00 H new ATOM 0 HG22 THR A 326 -5.191 4.950 -10.876 1.00 0.00 H new ATOM 0 HG23 THR A 326 -6.265 6.229 -10.260 1.00 0.00 H new ATOM 192 N CYS A 327 -4.240 3.970 -8.381 1.00 0.00 N ATOM 193 CA CYS A 327 -3.962 2.546 -8.348 1.00 0.00 C ATOM 194 C CYS A 327 -4.479 1.911 -9.629 1.00 0.00 C ATOM 195 O CYS A 327 -5.684 1.904 -9.857 1.00 0.00 O ATOM 196 CB CYS A 327 -4.648 1.938 -7.115 1.00 0.00 C ATOM 197 SG CYS A 327 -4.790 0.128 -7.087 1.00 0.00 S ATOM 0 H CYS A 327 -5.142 4.221 -7.978 1.00 0.00 H new ATOM 0 HA CYS A 327 -2.890 2.362 -8.279 1.00 0.00 H new ATOM 0 HB2 CYS A 327 -4.099 2.252 -6.228 1.00 0.00 H new ATOM 0 HB3 CYS A 327 -5.649 2.361 -7.037 1.00 0.00 H new ATOM 0 HG CYS A 327 -6.045 -0.209 -7.109 1.00 0.00 H new ATOM 202 N TYR A 328 -3.583 1.393 -10.469 1.00 0.00 N ATOM 203 CA TYR A 328 -3.995 0.875 -11.774 1.00 0.00 C ATOM 204 C TYR A 328 -4.930 -0.319 -11.605 1.00 0.00 C ATOM 205 O TYR A 328 -5.840 -0.528 -12.406 1.00 0.00 O ATOM 206 CB TYR A 328 -2.782 0.513 -12.641 1.00 0.00 C ATOM 207 CG TYR A 328 -2.006 -0.690 -12.161 1.00 0.00 C ATOM 208 CD1 TYR A 328 -1.062 -0.577 -11.153 1.00 0.00 C ATOM 209 CD2 TYR A 328 -2.219 -1.938 -12.728 1.00 0.00 C ATOM 210 CE1 TYR A 328 -0.351 -1.678 -10.721 1.00 0.00 C ATOM 211 CE2 TYR A 328 -1.515 -3.041 -12.301 1.00 0.00 C ATOM 212 CZ TYR A 328 -0.582 -2.908 -11.300 1.00 0.00 C ATOM 213 OH TYR A 328 0.117 -4.012 -10.873 1.00 0.00 O ATOM 0 H TYR A 328 -2.584 1.321 -10.275 1.00 0.00 H new ATOM 0 HA TYR A 328 -4.540 1.663 -12.293 1.00 0.00 H new ATOM 0 HB2 TYR A 328 -3.122 0.327 -13.660 1.00 0.00 H new ATOM 0 HB3 TYR A 328 -2.110 1.371 -12.680 1.00 0.00 H new ATOM 0 HD1 TYR A 328 -0.880 0.386 -10.699 1.00 0.00 H new ATOM 0 HD2 TYR A 328 -2.949 -2.046 -13.517 1.00 0.00 H new ATOM 0 HE1 TYR A 328 0.382 -1.577 -9.934 1.00 0.00 H new ATOM 0 HE2 TYR A 328 -1.695 -4.007 -12.750 1.00 0.00 H new ATOM 0 HH TYR A 328 -0.510 -4.685 -10.534 1.00 0.00 H new ATOM 223 N LEU A 329 -4.716 -1.089 -10.542 1.00 0.00 N ATOM 224 CA LEU A 329 -5.666 -2.122 -10.147 1.00 0.00 C ATOM 225 C LEU A 329 -6.785 -1.476 -9.341 1.00 0.00 C ATOM 226 O LEU A 329 -6.909 -1.704 -8.130 1.00 0.00 O ATOM 227 CB LEU A 329 -4.979 -3.225 -9.332 1.00 0.00 C ATOM 228 CG LEU A 329 -3.972 -4.079 -10.106 1.00 0.00 C ATOM 229 CD1 LEU A 329 -3.259 -5.044 -9.174 1.00 0.00 C ATOM 230 CD2 LEU A 329 -4.667 -4.842 -11.222 1.00 0.00 C ATOM 0 H LEU A 329 -3.895 -1.017 -9.941 1.00 0.00 H new ATOM 0 HA LEU A 329 -6.079 -2.590 -11.041 1.00 0.00 H new ATOM 0 HB2 LEU A 329 -4.466 -2.764 -8.488 1.00 0.00 H new ATOM 0 HB3 LEU A 329 -5.746 -3.881 -8.920 1.00 0.00 H new ATOM 0 HG LEU A 329 -3.230 -3.414 -10.548 1.00 0.00 H new ATOM 0 HD11 LEU A 329 -2.548 -5.642 -9.744 1.00 0.00 H new ATOM 0 HD12 LEU A 329 -2.728 -4.482 -8.406 1.00 0.00 H new ATOM 0 HD13 LEU A 329 -3.990 -5.701 -8.703 1.00 0.00 H new ATOM 0 HD21 LEU A 329 -3.936 -5.444 -11.762 1.00 0.00 H new ATOM 0 HD22 LEU A 329 -5.430 -5.494 -10.797 1.00 0.00 H new ATOM 0 HD23 LEU A 329 -5.134 -4.136 -11.909 1.00 0.00 H new ATOM 242 N CYS A 330 -7.542 -0.630 -10.042 1.00 0.00 N ATOM 243 CA CYS A 330 -8.627 0.191 -9.493 1.00 0.00 C ATOM 244 C CYS A 330 -9.044 1.216 -10.541 1.00 0.00 C ATOM 245 O CYS A 330 -10.202 1.271 -10.960 1.00 0.00 O ATOM 246 CB CYS A 330 -8.201 0.960 -8.228 1.00 0.00 C ATOM 247 SG CYS A 330 -8.347 0.048 -6.671 1.00 0.00 S ATOM 0 H CYS A 330 -7.413 -0.491 -11.044 1.00 0.00 H new ATOM 0 HA CYS A 330 -9.443 -0.482 -9.229 1.00 0.00 H new ATOM 0 HB2 CYS A 330 -7.164 1.275 -8.348 1.00 0.00 H new ATOM 0 HB3 CYS A 330 -8.803 1.866 -8.155 1.00 0.00 H new ATOM 0 HG CYS A 330 -7.774 -1.113 -6.793 1.00 0.00 H new ATOM 252 N LYS A 331 -8.061 2.029 -10.942 1.00 0.00 N ATOM 253 CA LYS A 331 -8.239 3.135 -11.874 1.00 0.00 C ATOM 254 C LYS A 331 -9.032 4.248 -11.216 1.00 0.00 C ATOM 255 O LYS A 331 -9.642 5.090 -11.880 1.00 0.00 O ATOM 256 CB LYS A 331 -8.861 2.680 -13.196 1.00 0.00 C ATOM 257 CG LYS A 331 -7.864 1.970 -14.099 1.00 0.00 C ATOM 258 CD LYS A 331 -8.423 1.747 -15.492 1.00 0.00 C ATOM 259 CE LYS A 331 -9.546 0.728 -15.489 1.00 0.00 C ATOM 260 NZ LYS A 331 -9.061 -0.633 -15.143 1.00 0.00 N ATOM 0 H LYS A 331 -7.099 1.930 -10.617 1.00 0.00 H new ATOM 0 HA LYS A 331 -7.255 3.528 -12.129 1.00 0.00 H new ATOM 0 HB2 LYS A 331 -9.697 2.012 -12.989 1.00 0.00 H new ATOM 0 HB3 LYS A 331 -9.267 3.546 -13.719 1.00 0.00 H new ATOM 0 HG2 LYS A 331 -6.950 2.559 -14.165 1.00 0.00 H new ATOM 0 HG3 LYS A 331 -7.594 1.010 -13.658 1.00 0.00 H new ATOM 0 HD2 LYS A 331 -8.790 2.692 -15.892 1.00 0.00 H new ATOM 0 HD3 LYS A 331 -7.626 1.408 -16.154 1.00 0.00 H new ATOM 0 HE2 LYS A 331 -10.311 1.033 -14.774 1.00 0.00 H new ATOM 0 HE3 LYS A 331 -10.018 0.706 -16.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 -9.793 -1.333 -15.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 -8.196 -0.841 -15.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 -8.854 -0.679 -14.125 1.00 0.00 H new ATOM 274 N GLN A 332 -8.987 4.244 -9.891 1.00 0.00 N ATOM 275 CA GLN A 332 -9.526 5.283 -9.090 1.00 0.00 C ATOM 276 C GLN A 332 -8.547 5.557 -7.957 1.00 0.00 C ATOM 277 O GLN A 332 -7.375 5.178 -8.029 1.00 0.00 O ATOM 278 CB GLN A 332 -10.886 4.848 -8.551 1.00 0.00 C ATOM 279 CG GLN A 332 -10.838 3.589 -7.711 1.00 0.00 C ATOM 280 CD GLN A 332 -12.134 3.351 -6.978 1.00 0.00 C ATOM 281 OE1 GLN A 332 -13.208 3.735 -7.442 1.00 0.00 O ATOM 282 NE2 GLN A 332 -12.048 2.721 -5.828 1.00 0.00 N ATOM 0 H GLN A 332 -8.560 3.491 -9.351 1.00 0.00 H new ATOM 0 HA GLN A 332 -9.670 6.195 -9.670 1.00 0.00 H new ATOM 0 HB2 GLN A 332 -11.304 5.657 -7.952 1.00 0.00 H new ATOM 0 HB3 GLN A 332 -11.564 4.688 -9.389 1.00 0.00 H new ATOM 0 HG2 GLN A 332 -10.621 2.734 -8.351 1.00 0.00 H new ATOM 0 HG3 GLN A 332 -10.023 3.664 -6.991 1.00 0.00 H new ATOM 0 HE21 GLN A 332 -11.138 2.419 -5.479 1.00 0.00 H new ATOM 0 HE22 GLN A 332 -12.891 2.534 -5.285 1.00 0.00 H new ATOM 291 N LYS A 333 -9.045 6.159 -6.909 1.00 0.00 N ATOM 292 CA LYS A 333 -8.220 6.564 -5.776 1.00 0.00 C ATOM 293 C LYS A 333 -9.091 6.860 -4.560 1.00 0.00 C ATOM 294 O LYS A 333 -10.321 6.816 -4.644 1.00 0.00 O ATOM 295 CB LYS A 333 -7.378 7.797 -6.135 1.00 0.00 C ATOM 296 CG LYS A 333 -8.206 8.989 -6.593 1.00 0.00 C ATOM 297 CD LYS A 333 -7.336 10.202 -6.885 1.00 0.00 C ATOM 298 CE LYS A 333 -8.179 11.391 -7.321 1.00 0.00 C ATOM 299 NZ LYS A 333 -7.346 12.585 -7.615 1.00 0.00 N ATOM 0 H LYS A 333 -10.034 6.387 -6.806 1.00 0.00 H new ATOM 0 HA LYS A 333 -7.547 5.742 -5.533 1.00 0.00 H new ATOM 0 HB2 LYS A 333 -6.787 8.088 -5.267 1.00 0.00 H new ATOM 0 HB3 LYS A 333 -6.675 7.529 -6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 333 -8.767 8.720 -7.488 1.00 0.00 H new ATOM 0 HG3 LYS A 333 -8.936 9.242 -5.824 1.00 0.00 H new ATOM 0 HD2 LYS A 333 -6.764 10.465 -5.995 1.00 0.00 H new ATOM 0 HD3 LYS A 333 -6.616 9.957 -7.666 1.00 0.00 H new ATOM 0 HE2 LYS A 333 -8.754 11.123 -8.207 1.00 0.00 H new ATOM 0 HE3 LYS A 333 -8.897 11.634 -6.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 333 -7.959 13.372 -7.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 333 -6.817 12.858 -6.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 333 -6.678 12.362 -8.381 1.00 0.00 H new ATOM 313 N GLY A 334 -8.448 7.152 -3.432 1.00 0.00 N ATOM 314 CA GLY A 334 -9.175 7.479 -2.221 1.00 0.00 C ATOM 315 C GLY A 334 -9.860 6.277 -1.603 1.00 0.00 C ATOM 316 O GLY A 334 -11.068 6.299 -1.366 1.00 0.00 O ATOM 0 H GLY A 334 -7.433 7.167 -3.337 1.00 0.00 H new ATOM 0 HA2 GLY A 334 -8.486 7.912 -1.495 1.00 0.00 H new ATOM 0 HA3 GLY A 334 -9.921 8.241 -2.446 1.00 0.00 H new ATOM 320 N VAL A 335 -9.092 5.229 -1.328 1.00 0.00 N ATOM 321 CA VAL A 335 -9.662 4.001 -0.788 1.00 0.00 C ATOM 322 C VAL A 335 -8.926 3.559 0.475 1.00 0.00 C ATOM 323 O VAL A 335 -9.411 3.761 1.586 1.00 0.00 O ATOM 324 CB VAL A 335 -9.631 2.850 -1.816 1.00 0.00 C ATOM 325 CG1 VAL A 335 -10.475 1.683 -1.326 1.00 0.00 C ATOM 326 CG2 VAL A 335 -10.103 3.320 -3.185 1.00 0.00 C ATOM 0 H VAL A 335 -8.082 5.204 -1.469 1.00 0.00 H new ATOM 0 HA VAL A 335 -10.701 4.225 -0.544 1.00 0.00 H new ATOM 0 HB VAL A 335 -8.599 2.515 -1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -10.444 0.878 -2.060 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -10.081 1.322 -0.376 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -11.506 2.011 -1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 335 -10.070 2.487 -3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 335 -11.125 3.691 -3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 335 -9.452 4.119 -3.540 1.00 0.00 H new ATOM 336 N GLY A 336 -7.748 2.972 0.299 1.00 0.00 N ATOM 337 CA GLY A 336 -7.006 2.449 1.430 1.00 0.00 C ATOM 338 C GLY A 336 -5.563 2.902 1.430 1.00 0.00 C ATOM 339 O GLY A 336 -5.277 4.076 1.655 1.00 0.00 O ATOM 0 H GLY A 336 -7.294 2.849 -0.606 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -7.485 2.770 2.355 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -7.042 1.360 1.413 1.00 0.00 H new ATOM 343 N ALA A 337 -4.651 1.976 1.165 1.00 0.00 N ATOM 344 CA ALA A 337 -3.228 2.280 1.187 1.00 0.00 C ATOM 345 C ALA A 337 -2.602 2.004 -0.171 1.00 0.00 C ATOM 346 O ALA A 337 -2.891 0.980 -0.800 1.00 0.00 O ATOM 347 CB ALA A 337 -2.531 1.472 2.270 1.00 0.00 C ATOM 0 H ALA A 337 -4.872 1.008 0.932 1.00 0.00 H new ATOM 0 HA ALA A 337 -3.104 3.339 1.412 1.00 0.00 H new ATOM 0 HB1 ALA A 337 -1.467 1.710 2.274 1.00 0.00 H new ATOM 0 HB2 ALA A 337 -2.962 1.717 3.241 1.00 0.00 H new ATOM 0 HB3 ALA A 337 -2.664 0.408 2.073 1.00 0.00 H new ATOM 353 N SER A 338 -1.752 2.913 -0.622 1.00 0.00 N ATOM 354 CA SER A 338 -1.138 2.796 -1.932 1.00 0.00 C ATOM 355 C SER A 338 0.378 2.641 -1.810 1.00 0.00 C ATOM 356 O SER A 338 1.007 3.234 -0.933 1.00 0.00 O ATOM 357 CB SER A 338 -1.475 4.021 -2.787 1.00 0.00 C ATOM 358 OG SER A 338 -2.879 4.224 -2.882 1.00 0.00 O ATOM 0 H SER A 338 -1.472 3.742 -0.097 1.00 0.00 H new ATOM 0 HA SER A 338 -1.537 1.905 -2.417 1.00 0.00 H new ATOM 0 HB2 SER A 338 -1.007 4.906 -2.356 1.00 0.00 H new ATOM 0 HB3 SER A 338 -1.057 3.894 -3.786 1.00 0.00 H new ATOM 0 HG SER A 338 -3.059 5.014 -3.433 1.00 0.00 H new ATOM 364 N ILE A 339 0.944 1.831 -2.690 1.00 0.00 N ATOM 365 CA ILE A 339 2.375 1.587 -2.731 1.00 0.00 C ATOM 366 C ILE A 339 2.886 1.800 -4.160 1.00 0.00 C ATOM 367 O ILE A 339 2.133 1.640 -5.125 1.00 0.00 O ATOM 368 CB ILE A 339 2.706 0.154 -2.233 1.00 0.00 C ATOM 369 CG1 ILE A 339 4.219 -0.103 -2.243 1.00 0.00 C ATOM 370 CG2 ILE A 339 1.975 -0.888 -3.071 1.00 0.00 C ATOM 371 CD1 ILE A 339 4.605 -1.461 -1.696 1.00 0.00 C ATOM 0 H ILE A 339 0.419 1.321 -3.400 1.00 0.00 H new ATOM 0 HA ILE A 339 2.876 2.290 -2.065 1.00 0.00 H new ATOM 0 HB ILE A 339 2.362 0.070 -1.202 1.00 0.00 H new ATOM 0 HG12 ILE A 339 4.588 -0.014 -3.265 1.00 0.00 H new ATOM 0 HG13 ILE A 339 4.715 0.670 -1.656 1.00 0.00 H new ATOM 0 HG21 ILE A 339 2.220 -1.885 -2.706 1.00 0.00 H new ATOM 0 HG22 ILE A 339 0.900 -0.728 -2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 339 2.282 -0.797 -4.113 1.00 0.00 H new ATOM 0 HD11 ILE A 339 5.689 -1.574 -1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 339 4.267 -1.547 -0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 339 4.138 -2.241 -2.297 1.00 0.00 H new ATOM 383 N GLN A 340 4.151 2.171 -4.290 1.00 0.00 N ATOM 384 CA GLN A 340 4.720 2.536 -5.575 1.00 0.00 C ATOM 385 C GLN A 340 5.745 1.514 -6.046 1.00 0.00 C ATOM 386 O GLN A 340 6.686 1.179 -5.323 1.00 0.00 O ATOM 387 CB GLN A 340 5.385 3.910 -5.480 1.00 0.00 C ATOM 388 CG GLN A 340 4.409 5.074 -5.440 1.00 0.00 C ATOM 389 CD GLN A 340 3.869 5.432 -6.778 1.00 0.00 C ATOM 390 OE1 GLN A 340 3.851 4.633 -7.707 1.00 0.00 O ATOM 391 NE2 GLN A 340 3.372 6.630 -6.863 1.00 0.00 N ATOM 0 H GLN A 340 4.807 2.227 -3.511 1.00 0.00 H new ATOM 0 HA GLN A 340 3.906 2.564 -6.300 1.00 0.00 H new ATOM 0 HB2 GLN A 340 6.005 3.940 -4.584 1.00 0.00 H new ATOM 0 HB3 GLN A 340 6.051 4.038 -6.333 1.00 0.00 H new ATOM 0 HG2 GLN A 340 3.581 4.823 -4.777 1.00 0.00 H new ATOM 0 HG3 GLN A 340 4.908 5.944 -5.012 1.00 0.00 H new ATOM 0 HE21 GLN A 340 3.412 7.257 -6.060 1.00 0.00 H new ATOM 0 HE22 GLN A 340 2.942 6.943 -7.733 1.00 0.00 H new ATOM 400 N CYS A 341 5.542 1.018 -7.255 1.00 0.00 N ATOM 401 CA CYS A 341 6.525 0.173 -7.922 1.00 0.00 C ATOM 402 C CYS A 341 7.758 0.989 -8.265 1.00 0.00 C ATOM 403 O CYS A 341 7.656 2.181 -8.563 1.00 0.00 O ATOM 404 CB CYS A 341 5.949 -0.426 -9.205 1.00 0.00 C ATOM 405 SG CYS A 341 7.155 -1.327 -10.220 1.00 0.00 S ATOM 0 H CYS A 341 4.697 1.187 -7.801 1.00 0.00 H new ATOM 0 HA CYS A 341 6.792 -0.637 -7.243 1.00 0.00 H new ATOM 0 HB2 CYS A 341 5.136 -1.103 -8.942 1.00 0.00 H new ATOM 0 HB3 CYS A 341 5.516 0.376 -9.803 1.00 0.00 H new ATOM 0 HG CYS A 341 7.536 -0.576 -11.211 1.00 0.00 H new ATOM 410 N HIS A 342 8.911 0.338 -8.269 1.00 0.00 N ATOM 411 CA HIS A 342 10.163 1.040 -8.518 1.00 0.00 C ATOM 412 C HIS A 342 11.089 0.199 -9.390 1.00 0.00 C ATOM 413 O HIS A 342 10.741 -0.911 -9.783 1.00 0.00 O ATOM 414 CB HIS A 342 10.851 1.436 -7.186 1.00 0.00 C ATOM 415 CG HIS A 342 11.880 0.463 -6.668 1.00 0.00 C ATOM 416 ND1 HIS A 342 11.761 -0.804 -6.214 1.00 0.00 N flip ATOM 417 CD2 HIS A 342 13.221 0.774 -6.564 1.00 0.00 C flip ATOM 418 CE1 HIS A 342 13.016 -1.231 -5.851 1.00 0.00 C flip ATOM 419 NE2 HIS A 342 13.877 -0.260 -6.073 1.00 0.00 N flip ATOM 0 H HIS A 342 9.007 -0.664 -8.105 1.00 0.00 H new ATOM 0 HA HIS A 342 9.937 1.959 -9.059 1.00 0.00 H new ATOM 0 HB2 HIS A 342 11.330 2.406 -7.320 1.00 0.00 H new ATOM 0 HB3 HIS A 342 10.082 1.563 -6.424 1.00 0.00 H new ATOM 0 HD2 HIS A 342 13.665 1.719 -6.842 1.00 0.00 H new ATOM 0 HE1 HIS A 342 13.257 -2.204 -5.449 1.00 0.00 H new ATOM 0 HE2 HIS A 342 14.881 -0.300 -5.896 1.00 0.00 H new ATOM 428 N LYS A 343 12.242 0.771 -9.698 1.00 0.00 N ATOM 429 CA LYS A 343 13.319 0.119 -10.440 1.00 0.00 C ATOM 430 C LYS A 343 14.364 1.169 -10.795 1.00 0.00 C ATOM 431 O LYS A 343 15.494 1.133 -10.314 1.00 0.00 O ATOM 432 CB LYS A 343 12.808 -0.554 -11.722 1.00 0.00 C ATOM 433 CG LYS A 343 13.911 -1.159 -12.578 1.00 0.00 C ATOM 434 CD LYS A 343 14.779 -2.115 -11.772 1.00 0.00 C ATOM 435 CE LYS A 343 15.895 -2.698 -12.621 1.00 0.00 C ATOM 436 NZ LYS A 343 16.791 -3.580 -11.830 1.00 0.00 N ATOM 0 H LYS A 343 12.465 1.730 -9.432 1.00 0.00 H new ATOM 0 HA LYS A 343 13.749 -0.662 -9.813 1.00 0.00 H new ATOM 0 HB2 LYS A 343 12.099 -1.337 -11.453 1.00 0.00 H new ATOM 0 HB3 LYS A 343 12.262 0.180 -12.314 1.00 0.00 H new ATOM 0 HG2 LYS A 343 13.469 -1.690 -13.421 1.00 0.00 H new ATOM 0 HG3 LYS A 343 14.531 -0.363 -12.991 1.00 0.00 H new ATOM 0 HD2 LYS A 343 15.206 -1.589 -10.918 1.00 0.00 H new ATOM 0 HD3 LYS A 343 14.163 -2.921 -11.374 1.00 0.00 H new ATOM 0 HE2 LYS A 343 15.465 -3.265 -13.447 1.00 0.00 H new ATOM 0 HE3 LYS A 343 16.478 -1.888 -13.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 343 17.539 -3.957 -12.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 343 17.222 -3.034 -11.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 343 16.240 -4.367 -11.432 1.00 0.00 H new ATOM 450 N ALA A 344 13.942 2.111 -11.621 1.00 0.00 N ATOM 451 CA ALA A 344 14.768 3.230 -12.048 1.00 0.00 C ATOM 452 C ALA A 344 13.867 4.272 -12.688 1.00 0.00 C ATOM 453 O ALA A 344 13.975 5.473 -12.426 1.00 0.00 O ATOM 454 CB ALA A 344 15.838 2.769 -13.029 1.00 0.00 C ATOM 0 H ALA A 344 13.003 2.121 -12.020 1.00 0.00 H new ATOM 0 HA ALA A 344 15.279 3.660 -11.187 1.00 0.00 H new ATOM 0 HB1 ALA A 344 16.443 3.622 -13.335 1.00 0.00 H new ATOM 0 HB2 ALA A 344 16.475 2.025 -12.550 1.00 0.00 H new ATOM 0 HB3 ALA A 344 15.363 2.329 -13.906 1.00 0.00 H new ATOM 460 N ASN A 345 12.973 3.782 -13.531 1.00 0.00 N ATOM 461 CA ASN A 345 11.915 4.587 -14.117 1.00 0.00 C ATOM 462 C ASN A 345 10.680 3.707 -14.300 1.00 0.00 C ATOM 463 O ASN A 345 10.761 2.639 -14.909 1.00 0.00 O ATOM 464 CB ASN A 345 12.364 5.207 -15.455 1.00 0.00 C ATOM 465 CG ASN A 345 12.802 4.176 -16.485 1.00 0.00 C ATOM 466 OD1 ASN A 345 11.992 3.687 -17.275 1.00 0.00 O ATOM 467 ND2 ASN A 345 14.088 3.855 -16.501 1.00 0.00 N ATOM 0 H ASN A 345 12.961 2.807 -13.830 1.00 0.00 H new ATOM 0 HA ASN A 345 11.675 5.416 -13.451 1.00 0.00 H new ATOM 0 HB2 ASN A 345 11.544 5.795 -15.867 1.00 0.00 H new ATOM 0 HB3 ASN A 345 13.188 5.896 -15.269 1.00 0.00 H new ATOM 0 HD21 ASN A 345 14.437 3.182 -17.183 1.00 0.00 H new ATOM 0 HD22 ASN A 345 14.728 4.281 -15.831 1.00 0.00 H new ATOM 474 N CYS A 346 9.556 4.128 -13.730 1.00 0.00 N ATOM 475 CA CYS A 346 8.343 3.317 -13.748 1.00 0.00 C ATOM 476 C CYS A 346 7.147 4.114 -13.228 1.00 0.00 C ATOM 477 O CYS A 346 6.252 4.474 -13.996 1.00 0.00 O ATOM 478 CB CYS A 346 8.547 2.060 -12.894 1.00 0.00 C ATOM 479 SG CYS A 346 7.264 0.800 -13.081 1.00 0.00 S ATOM 0 H CYS A 346 9.459 5.023 -13.251 1.00 0.00 H new ATOM 0 HA CYS A 346 8.137 3.026 -14.778 1.00 0.00 H new ATOM 0 HB2 CYS A 346 9.510 1.618 -13.148 1.00 0.00 H new ATOM 0 HB3 CYS A 346 8.597 2.354 -11.846 1.00 0.00 H new ATOM 0 HG CYS A 346 6.095 1.368 -13.079 1.00 0.00 H new ATOM 484 N TYR A 347 7.148 4.389 -11.920 1.00 0.00 N ATOM 485 CA TYR A 347 6.076 5.146 -11.267 1.00 0.00 C ATOM 486 C TYR A 347 4.727 4.434 -11.440 1.00 0.00 C ATOM 487 O TYR A 347 3.819 4.940 -12.102 1.00 0.00 O ATOM 488 CB TYR A 347 6.014 6.575 -11.834 1.00 0.00 C ATOM 489 CG TYR A 347 5.317 7.595 -10.945 1.00 0.00 C ATOM 490 CD1 TYR A 347 4.042 7.371 -10.440 1.00 0.00 C ATOM 491 CD2 TYR A 347 5.939 8.798 -10.634 1.00 0.00 C ATOM 492 CE1 TYR A 347 3.408 8.313 -9.651 1.00 0.00 C ATOM 493 CE2 TYR A 347 5.314 9.744 -9.843 1.00 0.00 C ATOM 494 CZ TYR A 347 4.050 9.498 -9.355 1.00 0.00 C ATOM 495 OH TYR A 347 3.421 10.443 -8.573 1.00 0.00 O ATOM 0 H TYR A 347 7.890 4.094 -11.286 1.00 0.00 H new ATOM 0 HA TYR A 347 6.292 5.205 -10.200 1.00 0.00 H new ATOM 0 HB2 TYR A 347 7.031 6.918 -12.025 1.00 0.00 H new ATOM 0 HB3 TYR A 347 5.502 6.545 -12.796 1.00 0.00 H new ATOM 0 HD1 TYR A 347 3.537 6.444 -10.668 1.00 0.00 H new ATOM 0 HD2 TYR A 347 6.929 8.998 -11.017 1.00 0.00 H new ATOM 0 HE1 TYR A 347 2.416 8.122 -9.269 1.00 0.00 H new ATOM 0 HE2 TYR A 347 5.815 10.672 -9.609 1.00 0.00 H new ATOM 0 HH TYR A 347 4.010 11.218 -8.459 1.00 0.00 H new ATOM 505 N THR A 348 4.618 3.234 -10.891 1.00 0.00 N ATOM 506 CA THR A 348 3.357 2.504 -10.925 1.00 0.00 C ATOM 507 C THR A 348 2.746 2.440 -9.532 1.00 0.00 C ATOM 508 O THR A 348 3.311 1.815 -8.636 1.00 0.00 O ATOM 509 CB THR A 348 3.531 1.072 -11.451 1.00 0.00 C ATOM 510 OG1 THR A 348 4.510 1.041 -12.493 1.00 0.00 O ATOM 511 CG2 THR A 348 2.209 0.544 -11.985 1.00 0.00 C ATOM 0 H THR A 348 5.380 2.747 -10.420 1.00 0.00 H new ATOM 0 HA THR A 348 2.698 3.045 -11.605 1.00 0.00 H new ATOM 0 HB THR A 348 3.865 0.442 -10.627 1.00 0.00 H new ATOM 0 HG1 THR A 348 5.211 0.396 -12.264 1.00 0.00 H new ATOM 0 HG21 THR A 348 2.346 -0.472 -12.355 1.00 0.00 H new ATOM 0 HG22 THR A 348 1.468 0.542 -11.185 1.00 0.00 H new ATOM 0 HG23 THR A 348 1.864 1.183 -12.798 1.00 0.00 H new ATOM 519 N ALA A 349 1.590 3.062 -9.354 1.00 0.00 N ATOM 520 CA ALA A 349 0.946 3.078 -8.052 1.00 0.00 C ATOM 521 C ALA A 349 -0.176 2.053 -7.986 1.00 0.00 C ATOM 522 O ALA A 349 -0.956 1.895 -8.927 1.00 0.00 O ATOM 523 CB ALA A 349 0.414 4.468 -7.741 1.00 0.00 C ATOM 0 H ALA A 349 1.084 3.557 -10.088 1.00 0.00 H new ATOM 0 HA ALA A 349 1.691 2.813 -7.302 1.00 0.00 H new ATOM 0 HB1 ALA A 349 -0.066 4.463 -6.762 1.00 0.00 H new ATOM 0 HB2 ALA A 349 1.239 5.181 -7.738 1.00 0.00 H new ATOM 0 HB3 ALA A 349 -0.313 4.758 -8.500 1.00 0.00 H new ATOM 529 N PHE A 350 -0.226 1.336 -6.878 1.00 0.00 N ATOM 530 CA PHE A 350 -1.279 0.360 -6.645 1.00 0.00 C ATOM 531 C PHE A 350 -1.515 0.189 -5.151 1.00 0.00 C ATOM 532 O PHE A 350 -0.784 0.737 -4.340 1.00 0.00 O ATOM 533 CB PHE A 350 -0.944 -0.985 -7.309 1.00 0.00 C ATOM 534 CG PHE A 350 0.418 -1.534 -6.977 1.00 0.00 C ATOM 535 CD1 PHE A 350 1.554 -1.009 -7.571 1.00 0.00 C ATOM 536 CD2 PHE A 350 0.560 -2.583 -6.084 1.00 0.00 C ATOM 537 CE1 PHE A 350 2.804 -1.517 -7.280 1.00 0.00 C ATOM 538 CE2 PHE A 350 1.809 -3.095 -5.789 1.00 0.00 C ATOM 539 CZ PHE A 350 2.933 -2.561 -6.388 1.00 0.00 C ATOM 0 H PHE A 350 0.453 1.411 -6.121 1.00 0.00 H new ATOM 0 HA PHE A 350 -2.198 0.730 -7.100 1.00 0.00 H new ATOM 0 HB2 PHE A 350 -1.696 -1.717 -7.014 1.00 0.00 H new ATOM 0 HB3 PHE A 350 -1.019 -0.869 -8.390 1.00 0.00 H new ATOM 0 HD1 PHE A 350 1.460 -0.192 -8.271 1.00 0.00 H new ATOM 0 HD2 PHE A 350 -0.315 -3.006 -5.613 1.00 0.00 H new ATOM 0 HE1 PHE A 350 3.681 -1.097 -7.751 1.00 0.00 H new ATOM 0 HE2 PHE A 350 1.906 -3.913 -5.090 1.00 0.00 H new ATOM 0 HZ PHE A 350 3.910 -2.960 -6.159 1.00 0.00 H new ATOM 549 N HIS A 351 -2.544 -0.560 -4.792 1.00 0.00 N ATOM 550 CA HIS A 351 -2.888 -0.738 -3.387 1.00 0.00 C ATOM 551 C HIS A 351 -2.255 -2.006 -2.839 1.00 0.00 C ATOM 552 O HIS A 351 -2.041 -2.968 -3.576 1.00 0.00 O ATOM 553 CB HIS A 351 -4.405 -0.796 -3.194 1.00 0.00 C ATOM 554 CG HIS A 351 -5.104 0.501 -3.455 1.00 0.00 C ATOM 555 ND1 HIS A 351 -6.142 0.633 -4.364 1.00 0.00 N ATOM 556 CD2 HIS A 351 -4.937 1.725 -2.898 1.00 0.00 C ATOM 557 CE1 HIS A 351 -6.576 1.889 -4.344 1.00 0.00 C ATOM 558 NE2 HIS A 351 -5.860 2.569 -3.467 1.00 0.00 N ATOM 0 H HIS A 351 -3.153 -1.052 -5.446 1.00 0.00 H new ATOM 0 HA HIS A 351 -2.500 0.121 -2.840 1.00 0.00 H new ATOM 0 HB2 HIS A 351 -4.816 -1.558 -3.857 1.00 0.00 H new ATOM 0 HB3 HIS A 351 -4.619 -1.113 -2.173 1.00 0.00 H new ATOM 0 HD1 HIS A 351 -6.513 -0.113 -4.953 1.00 0.00 H new ATOM 0 HD2 HIS A 351 -4.210 1.989 -2.144 1.00 0.00 H new ATOM 0 HE1 HIS A 351 -7.380 2.287 -4.945 1.00 0.00 H new ATOM 566 N VAL A 352 -1.975 -2.006 -1.543 1.00 0.00 N ATOM 567 CA VAL A 352 -1.373 -3.160 -0.887 1.00 0.00 C ATOM 568 C VAL A 352 -2.319 -4.358 -0.940 1.00 0.00 C ATOM 569 O VAL A 352 -1.886 -5.503 -1.079 1.00 0.00 O ATOM 570 CB VAL A 352 -1.004 -2.845 0.581 1.00 0.00 C ATOM 571 CG1 VAL A 352 -0.280 -4.018 1.225 1.00 0.00 C ATOM 572 CG2 VAL A 352 -0.151 -1.587 0.657 1.00 0.00 C ATOM 0 H VAL A 352 -2.156 -1.217 -0.923 1.00 0.00 H new ATOM 0 HA VAL A 352 -0.456 -3.404 -1.424 1.00 0.00 H new ATOM 0 HB VAL A 352 -1.928 -2.673 1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 352 -0.032 -3.770 2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 352 -0.924 -4.897 1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 352 0.636 -4.228 0.672 1.00 0.00 H new ATOM 0 HG21 VAL A 352 0.100 -1.380 1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 352 0.765 -1.734 0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 352 -0.706 -0.745 0.243 1.00 0.00 H new ATOM 582 N THR A 353 -3.618 -4.090 -0.852 1.00 0.00 N ATOM 583 CA THR A 353 -4.615 -5.142 -0.983 1.00 0.00 C ATOM 584 C THR A 353 -4.607 -5.713 -2.405 1.00 0.00 C ATOM 585 O THR A 353 -4.843 -6.903 -2.604 1.00 0.00 O ATOM 586 CB THR A 353 -6.035 -4.643 -0.613 1.00 0.00 C ATOM 587 OG1 THR A 353 -6.978 -5.719 -0.691 1.00 0.00 O ATOM 588 CG2 THR A 353 -6.486 -3.509 -1.523 1.00 0.00 C ATOM 0 H THR A 353 -4.001 -3.159 -0.691 1.00 0.00 H new ATOM 0 HA THR A 353 -4.350 -5.931 -0.279 1.00 0.00 H new ATOM 0 HB THR A 353 -5.991 -4.267 0.409 1.00 0.00 H new ATOM 0 HG1 THR A 353 -7.870 -5.390 -0.453 1.00 0.00 H new ATOM 0 HG21 THR A 353 -7.486 -3.186 -1.233 1.00 0.00 H new ATOM 0 HG22 THR A 353 -5.793 -2.672 -1.432 1.00 0.00 H new ATOM 0 HG23 THR A 353 -6.502 -3.856 -2.556 1.00 0.00 H new ATOM 596 N CYS A 354 -4.290 -4.870 -3.387 1.00 0.00 N ATOM 597 CA CYS A 354 -4.230 -5.312 -4.774 1.00 0.00 C ATOM 598 C CYS A 354 -3.008 -6.195 -4.991 1.00 0.00 C ATOM 599 O CYS A 354 -3.073 -7.192 -5.700 1.00 0.00 O ATOM 600 CB CYS A 354 -4.179 -4.115 -5.729 1.00 0.00 C ATOM 601 SG CYS A 354 -5.629 -3.031 -5.659 1.00 0.00 S ATOM 0 H CYS A 354 -4.072 -3.883 -3.246 1.00 0.00 H new ATOM 0 HA CYS A 354 -5.132 -5.886 -4.986 1.00 0.00 H new ATOM 0 HB2 CYS A 354 -3.290 -3.526 -5.504 1.00 0.00 H new ATOM 0 HB3 CYS A 354 -4.067 -4.485 -6.748 1.00 0.00 H new ATOM 0 HG CYS A 354 -5.326 -1.869 -6.156 1.00 0.00 H new ATOM 606 N ALA A 355 -1.901 -5.825 -4.358 1.00 0.00 N ATOM 607 CA ALA A 355 -0.658 -6.577 -4.475 1.00 0.00 C ATOM 608 C ALA A 355 -0.825 -8.000 -3.956 1.00 0.00 C ATOM 609 O ALA A 355 -0.410 -8.962 -4.604 1.00 0.00 O ATOM 610 CB ALA A 355 0.455 -5.866 -3.719 1.00 0.00 C ATOM 0 H ALA A 355 -1.839 -5.004 -3.755 1.00 0.00 H new ATOM 0 HA ALA A 355 -0.392 -6.634 -5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 355 1.380 -6.436 -3.812 1.00 0.00 H new ATOM 0 HB2 ALA A 355 0.599 -4.869 -4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 355 0.185 -5.783 -2.666 1.00 0.00 H new ATOM 616 N GLN A 356 -1.454 -8.121 -2.796 1.00 0.00 N ATOM 617 CA GLN A 356 -1.674 -9.420 -2.171 1.00 0.00 C ATOM 618 C GLN A 356 -2.726 -10.218 -2.935 1.00 0.00 C ATOM 619 O GLN A 356 -2.747 -11.447 -2.884 1.00 0.00 O ATOM 620 CB GLN A 356 -2.108 -9.234 -0.718 1.00 0.00 C ATOM 621 CG GLN A 356 -1.080 -8.502 0.129 1.00 0.00 C ATOM 622 CD GLN A 356 -1.588 -8.213 1.525 1.00 0.00 C ATOM 623 OE1 GLN A 356 -1.404 -9.008 2.446 1.00 0.00 O ATOM 624 NE2 GLN A 356 -2.229 -7.070 1.689 1.00 0.00 N ATOM 0 H GLN A 356 -1.823 -7.332 -2.265 1.00 0.00 H new ATOM 0 HA GLN A 356 -0.737 -9.977 -2.196 1.00 0.00 H new ATOM 0 HB2 GLN A 356 -3.047 -8.681 -0.695 1.00 0.00 H new ATOM 0 HB3 GLN A 356 -2.302 -10.211 -0.276 1.00 0.00 H new ATOM 0 HG2 GLN A 356 -0.171 -9.101 0.192 1.00 0.00 H new ATOM 0 HG3 GLN A 356 -0.811 -7.565 -0.359 1.00 0.00 H new ATOM 0 HE21 GLN A 356 -2.359 -6.440 0.897 1.00 0.00 H new ATOM 0 HE22 GLN A 356 -2.594 -6.817 2.607 1.00 0.00 H new ATOM 633 N LYS A 357 -3.593 -9.513 -3.648 1.00 0.00 N ATOM 634 CA LYS A 357 -4.645 -10.154 -4.426 1.00 0.00 C ATOM 635 C LYS A 357 -4.140 -10.519 -5.821 1.00 0.00 C ATOM 636 O LYS A 357 -4.813 -11.225 -6.571 1.00 0.00 O ATOM 637 CB LYS A 357 -5.858 -9.230 -4.543 1.00 0.00 C ATOM 638 CG LYS A 357 -7.165 -9.870 -4.094 1.00 0.00 C ATOM 639 CD LYS A 357 -7.171 -10.167 -2.600 1.00 0.00 C ATOM 640 CE LYS A 357 -7.051 -8.898 -1.767 1.00 0.00 C ATOM 641 NZ LYS A 357 -8.136 -7.924 -2.068 1.00 0.00 N ATOM 0 H LYS A 357 -3.589 -8.495 -3.704 1.00 0.00 H new ATOM 0 HA LYS A 357 -4.939 -11.067 -3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 357 -5.680 -8.335 -3.947 1.00 0.00 H new ATOM 0 HB3 LYS A 357 -5.959 -8.908 -5.580 1.00 0.00 H new ATOM 0 HG2 LYS A 357 -7.995 -9.206 -4.335 1.00 0.00 H new ATOM 0 HG3 LYS A 357 -7.325 -10.795 -4.648 1.00 0.00 H new ATOM 0 HD2 LYS A 357 -8.092 -10.688 -2.337 1.00 0.00 H new ATOM 0 HD3 LYS A 357 -6.346 -10.838 -2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 357 -7.080 -9.156 -0.708 1.00 0.00 H new ATOM 0 HE3 LYS A 357 -6.084 -8.432 -1.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 357 -7.995 -7.062 -1.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 357 -8.115 -7.682 -3.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 357 -9.057 -8.346 -1.832 1.00 0.00 H new ATOM 655 N ALA A 358 -2.964 -10.014 -6.170 1.00 0.00 N ATOM 656 CA ALA A 358 -2.364 -10.309 -7.464 1.00 0.00 C ATOM 657 C ALA A 358 -1.256 -11.346 -7.324 1.00 0.00 C ATOM 658 O ALA A 358 -0.890 -12.010 -8.295 1.00 0.00 O ATOM 659 CB ALA A 358 -1.820 -9.038 -8.101 1.00 0.00 C ATOM 0 H ALA A 358 -2.408 -9.399 -5.576 1.00 0.00 H new ATOM 0 HA ALA A 358 -3.139 -10.720 -8.111 1.00 0.00 H new ATOM 0 HB1 ALA A 358 -1.375 -9.277 -9.067 1.00 0.00 H new ATOM 0 HB2 ALA A 358 -2.632 -8.325 -8.242 1.00 0.00 H new ATOM 0 HB3 ALA A 358 -1.062 -8.601 -7.451 1.00 0.00 H new ATOM 665 N GLY A 359 -0.721 -11.469 -6.112 1.00 0.00 N ATOM 666 CA GLY A 359 0.351 -12.417 -5.857 1.00 0.00 C ATOM 667 C GLY A 359 1.631 -12.043 -6.577 1.00 0.00 C ATOM 668 O GLY A 359 2.448 -12.909 -6.902 1.00 0.00 O ATOM 0 H GLY A 359 -1.012 -10.927 -5.299 1.00 0.00 H new ATOM 0 HA2 GLY A 359 0.541 -12.468 -4.785 1.00 0.00 H new ATOM 0 HA3 GLY A 359 0.036 -13.412 -6.172 1.00 0.00 H new ATOM 672 N LEU A 360 1.805 -10.748 -6.814 1.00 0.00 N ATOM 673 CA LEU A 360 2.949 -10.247 -7.567 1.00 0.00 C ATOM 674 C LEU A 360 4.244 -10.364 -6.767 1.00 0.00 C ATOM 675 O LEU A 360 4.236 -10.752 -5.594 1.00 0.00 O ATOM 676 CB LEU A 360 2.699 -8.794 -8.013 1.00 0.00 C ATOM 677 CG LEU A 360 2.196 -7.827 -6.926 1.00 0.00 C ATOM 678 CD1 LEU A 360 3.314 -7.423 -5.975 1.00 0.00 C ATOM 679 CD2 LEU A 360 1.573 -6.596 -7.565 1.00 0.00 C ATOM 0 H LEU A 360 1.164 -10.022 -6.493 1.00 0.00 H new ATOM 0 HA LEU A 360 3.066 -10.867 -8.456 1.00 0.00 H new ATOM 0 HB2 LEU A 360 3.628 -8.396 -8.422 1.00 0.00 H new ATOM 0 HB3 LEU A 360 1.972 -8.805 -8.825 1.00 0.00 H new ATOM 0 HG LEU A 360 1.437 -8.347 -6.342 1.00 0.00 H new ATOM 0 HD11 LEU A 360 2.922 -6.740 -5.221 1.00 0.00 H new ATOM 0 HD12 LEU A 360 3.715 -8.311 -5.486 1.00 0.00 H new ATOM 0 HD13 LEU A 360 4.107 -6.928 -6.535 1.00 0.00 H new ATOM 0 HD21 LEU A 360 1.221 -5.920 -6.786 1.00 0.00 H new ATOM 0 HD22 LEU A 360 2.318 -6.088 -8.177 1.00 0.00 H new ATOM 0 HD23 LEU A 360 0.733 -6.897 -8.191 1.00 0.00 H new ATOM 691 N TYR A 361 5.354 -10.031 -7.413 1.00 0.00 N ATOM 692 CA TYR A 361 6.663 -10.105 -6.782 1.00 0.00 C ATOM 693 C TYR A 361 6.785 -9.052 -5.688 1.00 0.00 C ATOM 694 O TYR A 361 6.631 -7.855 -5.941 1.00 0.00 O ATOM 695 CB TYR A 361 7.773 -9.912 -7.823 1.00 0.00 C ATOM 696 CG TYR A 361 9.179 -10.047 -7.262 1.00 0.00 C ATOM 697 CD1 TYR A 361 9.767 -9.012 -6.545 1.00 0.00 C ATOM 698 CD2 TYR A 361 9.915 -11.210 -7.455 1.00 0.00 C ATOM 699 CE1 TYR A 361 11.043 -9.129 -6.034 1.00 0.00 C ATOM 700 CE2 TYR A 361 11.196 -11.337 -6.946 1.00 0.00 C ATOM 701 CZ TYR A 361 11.756 -10.294 -6.237 1.00 0.00 C ATOM 702 OH TYR A 361 13.032 -10.417 -5.729 1.00 0.00 O ATOM 0 H TYR A 361 5.372 -9.705 -8.379 1.00 0.00 H new ATOM 0 HA TYR A 361 6.772 -11.092 -6.334 1.00 0.00 H new ATOM 0 HB2 TYR A 361 7.640 -10.643 -8.621 1.00 0.00 H new ATOM 0 HB3 TYR A 361 7.666 -8.925 -8.274 1.00 0.00 H new ATOM 0 HD1 TYR A 361 9.214 -8.098 -6.385 1.00 0.00 H new ATOM 0 HD2 TYR A 361 9.481 -12.028 -8.011 1.00 0.00 H new ATOM 0 HE1 TYR A 361 11.482 -8.314 -5.478 1.00 0.00 H new ATOM 0 HE2 TYR A 361 11.754 -12.248 -7.103 1.00 0.00 H new ATOM 0 HH TYR A 361 13.393 -11.298 -5.960 1.00 0.00 H new ATOM 712 N MET A 362 7.074 -9.498 -4.476 1.00 0.00 N ATOM 713 CA MET A 362 7.220 -8.588 -3.354 1.00 0.00 C ATOM 714 C MET A 362 8.572 -8.798 -2.683 1.00 0.00 C ATOM 715 O MET A 362 8.986 -9.934 -2.434 1.00 0.00 O ATOM 716 CB MET A 362 6.081 -8.790 -2.353 1.00 0.00 C ATOM 717 CG MET A 362 5.652 -7.507 -1.659 1.00 0.00 C ATOM 718 SD MET A 362 4.226 -7.742 -0.577 1.00 0.00 S ATOM 719 CE MET A 362 3.815 -6.043 -0.181 1.00 0.00 C ATOM 0 H MET A 362 7.212 -10.482 -4.245 1.00 0.00 H new ATOM 0 HA MET A 362 7.172 -7.563 -3.722 1.00 0.00 H new ATOM 0 HB2 MET A 362 5.223 -9.218 -2.872 1.00 0.00 H new ATOM 0 HB3 MET A 362 6.393 -9.515 -1.601 1.00 0.00 H new ATOM 0 HG2 MET A 362 6.486 -7.119 -1.074 1.00 0.00 H new ATOM 0 HG3 MET A 362 5.412 -6.755 -2.411 1.00 0.00 H new ATOM 0 HE1 MET A 362 3.098 -6.024 0.639 1.00 0.00 H new ATOM 0 HE2 MET A 362 4.718 -5.510 0.114 1.00 0.00 H new ATOM 0 HE3 MET A 362 3.379 -5.561 -1.056 1.00 0.00 H new ATOM 729 N LYS A 363 9.258 -7.701 -2.409 1.00 0.00 N ATOM 730 CA LYS A 363 10.601 -7.736 -1.854 1.00 0.00 C ATOM 731 C LYS A 363 10.571 -7.304 -0.387 1.00 0.00 C ATOM 732 O LYS A 363 9.840 -6.386 -0.015 1.00 0.00 O ATOM 733 CB LYS A 363 11.506 -6.801 -2.670 1.00 0.00 C ATOM 734 CG LYS A 363 12.998 -6.984 -2.428 1.00 0.00 C ATOM 735 CD LYS A 363 13.471 -8.374 -2.827 1.00 0.00 C ATOM 736 CE LYS A 363 14.939 -8.378 -3.233 1.00 0.00 C ATOM 737 NZ LYS A 363 15.826 -7.816 -2.179 1.00 0.00 N ATOM 0 H LYS A 363 8.899 -6.759 -2.565 1.00 0.00 H new ATOM 0 HA LYS A 363 10.994 -8.751 -1.905 1.00 0.00 H new ATOM 0 HB2 LYS A 363 11.303 -6.955 -3.730 1.00 0.00 H new ATOM 0 HB3 LYS A 363 11.239 -5.769 -2.441 1.00 0.00 H new ATOM 0 HG2 LYS A 363 13.552 -6.235 -2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 363 13.218 -6.814 -1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 363 13.323 -9.061 -1.994 1.00 0.00 H new ATOM 0 HD3 LYS A 363 12.864 -8.741 -3.655 1.00 0.00 H new ATOM 0 HE2 LYS A 363 15.248 -9.399 -3.456 1.00 0.00 H new ATOM 0 HE3 LYS A 363 15.060 -7.801 -4.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 16.784 -8.205 -2.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 15.860 -6.781 -2.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 15.454 -8.069 -1.241 1.00 0.00 H new ATOM 751 N MET A 364 11.372 -7.960 0.436 1.00 0.00 N ATOM 752 CA MET A 364 11.416 -7.680 1.860 1.00 0.00 C ATOM 753 C MET A 364 12.867 -7.548 2.265 1.00 0.00 C ATOM 754 O MET A 364 13.597 -8.537 2.331 1.00 0.00 O ATOM 755 CB MET A 364 10.756 -8.793 2.689 1.00 0.00 C ATOM 756 CG MET A 364 9.242 -8.882 2.580 1.00 0.00 C ATOM 757 SD MET A 364 8.679 -9.608 1.028 1.00 0.00 S ATOM 758 CE MET A 364 6.913 -9.681 1.315 1.00 0.00 C ATOM 0 H MET A 364 12.008 -8.699 0.136 1.00 0.00 H new ATOM 0 HA MET A 364 10.862 -6.761 2.052 1.00 0.00 H new ATOM 0 HB2 MET A 364 11.181 -9.749 2.385 1.00 0.00 H new ATOM 0 HB3 MET A 364 11.019 -8.646 3.737 1.00 0.00 H new ATOM 0 HG2 MET A 364 8.859 -9.475 3.410 1.00 0.00 H new ATOM 0 HG3 MET A 364 8.818 -7.883 2.680 1.00 0.00 H new ATOM 0 HE1 MET A 364 6.471 -10.443 0.673 1.00 0.00 H new ATOM 0 HE2 MET A 364 6.724 -9.931 2.359 1.00 0.00 H new ATOM 0 HE3 MET A 364 6.467 -8.713 1.088 1.00 0.00 H new ATOM 768 N GLU A 365 13.284 -6.330 2.508 1.00 0.00 N ATOM 769 CA GLU A 365 14.676 -6.054 2.776 1.00 0.00 C ATOM 770 C GLU A 365 14.839 -5.485 4.178 1.00 0.00 C ATOM 771 O GLU A 365 14.218 -4.487 4.523 1.00 0.00 O ATOM 772 CB GLU A 365 15.194 -5.083 1.721 1.00 0.00 C ATOM 773 CG GLU A 365 15.094 -5.622 0.306 1.00 0.00 C ATOM 774 CD GLU A 365 15.525 -4.616 -0.740 1.00 0.00 C ATOM 775 OE1 GLU A 365 14.735 -3.709 -1.061 1.00 0.00 O ATOM 776 OE2 GLU A 365 16.656 -4.737 -1.253 1.00 0.00 O ATOM 0 H GLU A 365 12.678 -5.510 2.526 1.00 0.00 H new ATOM 0 HA GLU A 365 15.257 -6.975 2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 365 14.632 -4.152 1.788 1.00 0.00 H new ATOM 0 HB3 GLU A 365 16.235 -4.843 1.938 1.00 0.00 H new ATOM 0 HG2 GLU A 365 15.711 -6.516 0.219 1.00 0.00 H new ATOM 0 HG3 GLU A 365 14.065 -5.924 0.110 1.00 0.00 H new ATOM 783 N PRO A 366 15.656 -6.130 5.013 1.00 0.00 N ATOM 784 CA PRO A 366 15.877 -5.684 6.384 1.00 0.00 C ATOM 785 C PRO A 366 16.836 -4.501 6.462 1.00 0.00 C ATOM 786 O PRO A 366 17.977 -4.577 6.008 1.00 0.00 O ATOM 787 CB PRO A 366 16.483 -6.915 7.054 1.00 0.00 C ATOM 788 CG PRO A 366 17.187 -7.642 5.958 1.00 0.00 C ATOM 789 CD PRO A 366 16.424 -7.348 4.692 1.00 0.00 C ATOM 0 HA PRO A 366 14.960 -5.331 6.856 1.00 0.00 H new ATOM 0 HB2 PRO A 366 17.174 -6.632 7.848 1.00 0.00 H new ATOM 0 HB3 PRO A 366 15.712 -7.537 7.509 1.00 0.00 H new ATOM 0 HG2 PRO A 366 18.222 -7.309 5.874 1.00 0.00 H new ATOM 0 HG3 PRO A 366 17.212 -8.714 6.156 1.00 0.00 H new ATOM 0 HD2 PRO A 366 17.096 -7.186 3.849 1.00 0.00 H new ATOM 0 HD3 PRO A 366 15.767 -8.174 4.421 1.00 0.00 H new ATOM 797 N VAL A 367 16.364 -3.405 7.028 1.00 0.00 N ATOM 798 CA VAL A 367 17.210 -2.247 7.257 1.00 0.00 C ATOM 799 C VAL A 367 17.431 -2.075 8.754 1.00 0.00 C ATOM 800 O VAL A 367 16.480 -2.065 9.539 1.00 0.00 O ATOM 801 CB VAL A 367 16.626 -0.956 6.631 1.00 0.00 C ATOM 802 CG1 VAL A 367 16.703 -1.019 5.113 1.00 0.00 C ATOM 803 CG2 VAL A 367 15.189 -0.727 7.074 1.00 0.00 C ATOM 0 H VAL A 367 15.399 -3.292 7.338 1.00 0.00 H new ATOM 0 HA VAL A 367 18.166 -2.422 6.763 1.00 0.00 H new ATOM 0 HB VAL A 367 17.226 -0.116 6.982 1.00 0.00 H new ATOM 0 HG11 VAL A 367 16.289 -0.104 4.689 1.00 0.00 H new ATOM 0 HG12 VAL A 367 17.744 -1.122 4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 367 16.132 -1.876 4.755 1.00 0.00 H new ATOM 0 HG21 VAL A 367 14.809 0.187 6.617 1.00 0.00 H new ATOM 0 HG22 VAL A 367 14.574 -1.571 6.763 1.00 0.00 H new ATOM 0 HG23 VAL A 367 15.154 -0.632 8.159 1.00 0.00 H new ATOM 813 N LYS A 368 18.684 -1.995 9.157 1.00 0.00 N ATOM 814 CA LYS A 368 19.015 -2.008 10.567 1.00 0.00 C ATOM 815 C LYS A 368 19.017 -0.624 11.184 1.00 0.00 C ATOM 816 O LYS A 368 19.753 0.271 10.763 1.00 0.00 O ATOM 817 CB LYS A 368 20.361 -2.680 10.798 1.00 0.00 C ATOM 818 CG LYS A 368 20.356 -4.148 10.436 1.00 0.00 C ATOM 819 CD LYS A 368 21.456 -4.890 11.159 1.00 0.00 C ATOM 820 CE LYS A 368 20.907 -6.134 11.824 1.00 0.00 C ATOM 821 NZ LYS A 368 21.975 -6.946 12.465 1.00 0.00 N ATOM 0 H LYS A 368 19.486 -1.921 8.531 1.00 0.00 H new ATOM 0 HA LYS A 368 18.231 -2.582 11.062 1.00 0.00 H new ATOM 0 HB2 LYS A 368 21.122 -2.168 10.209 1.00 0.00 H new ATOM 0 HB3 LYS A 368 20.641 -2.570 11.846 1.00 0.00 H new ATOM 0 HG2 LYS A 368 19.390 -4.585 10.690 1.00 0.00 H new ATOM 0 HG3 LYS A 368 20.484 -4.261 9.359 1.00 0.00 H new ATOM 0 HD2 LYS A 368 22.242 -5.163 10.455 1.00 0.00 H new ATOM 0 HD3 LYS A 368 21.910 -4.241 11.907 1.00 0.00 H new ATOM 0 HE2 LYS A 368 20.171 -5.848 12.575 1.00 0.00 H new ATOM 0 HE3 LYS A 368 20.387 -6.741 11.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 368 21.553 -7.787 12.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 368 22.665 -7.242 11.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 368 22.455 -6.377 13.191 1.00 0.00 H new ATOM 835 N GLU A 369 18.204 -0.478 12.208 1.00 0.00 N ATOM 836 CA GLU A 369 18.162 0.731 13.011 1.00 0.00 C ATOM 837 C GLU A 369 18.772 0.451 14.371 1.00 0.00 C ATOM 838 O GLU A 369 19.175 -0.675 14.660 1.00 0.00 O ATOM 839 CB GLU A 369 16.741 1.267 13.198 1.00 0.00 C ATOM 840 CG GLU A 369 16.376 2.434 12.296 1.00 0.00 C ATOM 841 CD GLU A 369 16.145 2.038 10.854 1.00 0.00 C ATOM 842 OE1 GLU A 369 15.031 1.569 10.540 1.00 0.00 O ATOM 843 OE2 GLU A 369 17.061 2.227 10.027 1.00 0.00 O ATOM 0 H GLU A 369 17.548 -1.198 12.511 1.00 0.00 H new ATOM 0 HA GLU A 369 18.731 1.493 12.478 1.00 0.00 H new ATOM 0 HB2 GLU A 369 16.035 0.455 13.021 1.00 0.00 H new ATOM 0 HB3 GLU A 369 16.618 1.576 14.236 1.00 0.00 H new ATOM 0 HG2 GLU A 369 15.475 2.912 12.681 1.00 0.00 H new ATOM 0 HG3 GLU A 369 17.173 3.176 12.337 1.00 0.00 H new ATOM 850 N LEU A 370 18.842 1.476 15.189 1.00 0.00 N ATOM 851 CA LEU A 370 19.419 1.377 16.509 1.00 0.00 C ATOM 852 C LEU A 370 18.918 2.539 17.350 1.00 0.00 C ATOM 853 O LEU A 370 19.524 3.610 17.392 1.00 0.00 O ATOM 854 CB LEU A 370 20.954 1.359 16.438 1.00 0.00 C ATOM 855 CG LEU A 370 21.663 0.880 17.709 1.00 0.00 C ATOM 856 CD1 LEU A 370 22.948 0.149 17.352 1.00 0.00 C ATOM 857 CD2 LEU A 370 21.972 2.048 18.635 1.00 0.00 C ATOM 0 H LEU A 370 18.498 2.407 14.955 1.00 0.00 H new ATOM 0 HA LEU A 370 19.112 0.440 16.973 1.00 0.00 H new ATOM 0 HB2 LEU A 370 21.255 0.717 15.610 1.00 0.00 H new ATOM 0 HB3 LEU A 370 21.302 2.365 16.205 1.00 0.00 H new ATOM 0 HG LEU A 370 20.994 0.195 18.230 1.00 0.00 H new ATOM 0 HD11 LEU A 370 23.442 -0.186 18.264 1.00 0.00 H new ATOM 0 HD12 LEU A 370 22.715 -0.714 16.728 1.00 0.00 H new ATOM 0 HD13 LEU A 370 23.610 0.822 16.807 1.00 0.00 H new ATOM 0 HD21 LEU A 370 22.475 1.680 19.529 1.00 0.00 H new ATOM 0 HD22 LEU A 370 22.619 2.759 18.121 1.00 0.00 H new ATOM 0 HD23 LEU A 370 21.043 2.543 18.919 1.00 0.00 H new ATOM 869 N THR A 371 17.757 2.346 17.940 1.00 0.00 N ATOM 870 CA THR A 371 17.182 3.337 18.826 1.00 0.00 C ATOM 871 C THR A 371 16.331 2.662 19.898 1.00 0.00 C ATOM 872 O THR A 371 15.702 1.630 19.649 1.00 0.00 O ATOM 873 CB THR A 371 16.339 4.373 18.044 1.00 0.00 C ATOM 874 OG1 THR A 371 15.853 5.388 18.929 1.00 0.00 O ATOM 875 CG2 THR A 371 15.166 3.715 17.329 1.00 0.00 C ATOM 0 H THR A 371 17.190 1.507 17.821 1.00 0.00 H new ATOM 0 HA THR A 371 18.002 3.869 19.308 1.00 0.00 H new ATOM 0 HB THR A 371 16.988 4.824 17.293 1.00 0.00 H new ATOM 0 HG1 THR A 371 15.323 6.038 18.422 1.00 0.00 H new ATOM 0 HG21 THR A 371 14.597 4.473 16.791 1.00 0.00 H new ATOM 0 HG22 THR A 371 15.540 2.973 16.624 1.00 0.00 H new ATOM 0 HG23 THR A 371 14.521 3.228 18.060 1.00 0.00 H new ATOM 883 N GLY A 372 16.336 3.229 21.095 1.00 0.00 N ATOM 884 CA GLY A 372 15.571 2.668 22.187 1.00 0.00 C ATOM 885 C GLY A 372 16.257 1.470 22.808 1.00 0.00 C ATOM 886 O GLY A 372 16.939 1.594 23.827 1.00 0.00 O ATOM 0 H GLY A 372 16.860 4.072 21.330 1.00 0.00 H new ATOM 0 HA2 GLY A 372 15.415 3.431 22.949 1.00 0.00 H new ATOM 0 HA3 GLY A 372 14.586 2.374 21.825 1.00 0.00 H new ATOM 890 N GLY A 373 16.097 0.316 22.179 1.00 0.00 N ATOM 891 CA GLY A 373 16.674 -0.903 22.702 1.00 0.00 C ATOM 892 C GLY A 373 17.712 -1.490 21.774 1.00 0.00 C ATOM 893 O GLY A 373 17.469 -2.513 21.130 1.00 0.00 O ATOM 0 H GLY A 373 15.574 0.202 21.310 1.00 0.00 H new ATOM 0 HA2 GLY A 373 17.130 -0.700 23.671 1.00 0.00 H new ATOM 0 HA3 GLY A 373 15.883 -1.635 22.868 1.00 0.00 H new ATOM 897 N GLY A 374 18.863 -0.834 21.700 1.00 0.00 N ATOM 898 CA GLY A 374 19.944 -1.305 20.862 1.00 0.00 C ATOM 899 C GLY A 374 19.564 -1.334 19.398 1.00 0.00 C ATOM 900 O GLY A 374 18.849 -0.452 18.918 1.00 0.00 O ATOM 0 H GLY A 374 19.066 0.024 22.212 1.00 0.00 H new ATOM 0 HA2 GLY A 374 20.813 -0.661 20.997 1.00 0.00 H new ATOM 0 HA3 GLY A 374 20.237 -2.306 21.179 1.00 0.00 H new ATOM 904 N THR A 375 20.035 -2.345 18.690 1.00 0.00 N ATOM 905 CA THR A 375 19.713 -2.510 17.289 1.00 0.00 C ATOM 906 C THR A 375 18.248 -2.908 17.128 1.00 0.00 C ATOM 907 O THR A 375 17.753 -3.794 17.831 1.00 0.00 O ATOM 908 CB THR A 375 20.619 -3.578 16.646 1.00 0.00 C ATOM 909 OG1 THR A 375 21.992 -3.290 16.950 1.00 0.00 O ATOM 910 CG2 THR A 375 20.432 -3.622 15.136 1.00 0.00 C ATOM 0 H THR A 375 20.647 -3.068 19.069 1.00 0.00 H new ATOM 0 HA THR A 375 19.882 -1.559 16.784 1.00 0.00 H new ATOM 0 HB THR A 375 20.343 -4.550 17.054 1.00 0.00 H new ATOM 0 HG1 THR A 375 22.567 -3.971 16.542 1.00 0.00 H new ATOM 0 HG21 THR A 375 21.084 -4.385 14.711 1.00 0.00 H new ATOM 0 HG22 THR A 375 19.394 -3.862 14.905 1.00 0.00 H new ATOM 0 HG23 THR A 375 20.684 -2.651 14.710 1.00 0.00 H new ATOM 918 N THR A 376 17.555 -2.252 16.213 1.00 0.00 N ATOM 919 CA THR A 376 16.179 -2.531 15.974 1.00 0.00 C ATOM 920 C THR A 376 16.034 -2.974 14.543 1.00 0.00 C ATOM 921 O THR A 376 16.406 -2.271 13.599 1.00 0.00 O ATOM 922 CB THR A 376 15.278 -1.313 16.250 1.00 0.00 C ATOM 923 OG1 THR A 376 15.533 -0.279 15.299 1.00 0.00 O ATOM 924 CG2 THR A 376 15.539 -0.773 17.639 1.00 0.00 C ATOM 0 H THR A 376 17.944 -1.515 15.624 1.00 0.00 H new ATOM 0 HA THR A 376 15.856 -3.316 16.658 1.00 0.00 H new ATOM 0 HB THR A 376 14.240 -1.635 16.169 1.00 0.00 H new ATOM 0 HG1 THR A 376 14.952 0.488 15.486 1.00 0.00 H new ATOM 0 HG21 THR A 376 14.896 0.088 17.822 1.00 0.00 H new ATOM 0 HG22 THR A 376 15.327 -1.547 18.376 1.00 0.00 H new ATOM 0 HG23 THR A 376 16.583 -0.470 17.721 1.00 0.00 H new ATOM 932 N PHE A 377 15.543 -4.158 14.414 1.00 0.00 N ATOM 933 CA PHE A 377 15.306 -4.770 13.139 1.00 0.00 C ATOM 934 C PHE A 377 14.097 -4.133 12.464 1.00 0.00 C ATOM 935 O PHE A 377 12.961 -4.300 12.909 1.00 0.00 O ATOM 936 CB PHE A 377 15.106 -6.267 13.363 1.00 0.00 C ATOM 937 CG PHE A 377 14.670 -7.013 12.149 1.00 0.00 C ATOM 938 CD1 PHE A 377 15.590 -7.449 11.222 1.00 0.00 C ATOM 939 CD2 PHE A 377 13.335 -7.275 11.950 1.00 0.00 C ATOM 940 CE1 PHE A 377 15.181 -8.143 10.100 1.00 0.00 C ATOM 941 CE2 PHE A 377 12.909 -7.968 10.834 1.00 0.00 C ATOM 942 CZ PHE A 377 13.836 -8.404 9.904 1.00 0.00 C ATOM 0 H PHE A 377 15.287 -4.747 15.207 1.00 0.00 H new ATOM 0 HA PHE A 377 16.157 -4.618 12.474 1.00 0.00 H new ATOM 0 HB2 PHE A 377 16.040 -6.697 13.724 1.00 0.00 H new ATOM 0 HB3 PHE A 377 14.365 -6.410 14.149 1.00 0.00 H new ATOM 0 HD1 PHE A 377 16.640 -7.247 11.373 1.00 0.00 H new ATOM 0 HD2 PHE A 377 12.611 -6.935 12.675 1.00 0.00 H new ATOM 0 HE1 PHE A 377 15.909 -8.481 9.377 1.00 0.00 H new ATOM 0 HE2 PHE A 377 11.858 -8.169 10.688 1.00 0.00 H new ATOM 0 HZ PHE A 377 13.511 -8.946 9.028 1.00 0.00 H new ATOM 952 N SER A 378 14.351 -3.384 11.406 1.00 0.00 N ATOM 953 CA SER A 378 13.290 -2.752 10.653 1.00 0.00 C ATOM 954 C SER A 378 13.149 -3.425 9.299 1.00 0.00 C ATOM 955 O SER A 378 14.135 -3.878 8.714 1.00 0.00 O ATOM 956 CB SER A 378 13.592 -1.267 10.461 1.00 0.00 C ATOM 957 OG SER A 378 13.859 -0.623 11.695 1.00 0.00 O ATOM 0 H SER A 378 15.289 -3.200 11.050 1.00 0.00 H new ATOM 0 HA SER A 378 12.356 -2.855 11.206 1.00 0.00 H new ATOM 0 HB2 SER A 378 14.449 -1.153 9.798 1.00 0.00 H new ATOM 0 HB3 SER A 378 12.745 -0.783 9.974 1.00 0.00 H new ATOM 0 HG SER A 378 14.291 0.241 11.527 1.00 0.00 H new ATOM 963 N VAL A 379 11.931 -3.508 8.803 1.00 0.00 N ATOM 964 CA VAL A 379 11.707 -4.086 7.495 1.00 0.00 C ATOM 965 C VAL A 379 11.475 -2.982 6.479 1.00 0.00 C ATOM 966 O VAL A 379 10.818 -1.981 6.764 1.00 0.00 O ATOM 967 CB VAL A 379 10.494 -5.037 7.474 1.00 0.00 C ATOM 968 CG1 VAL A 379 10.490 -5.885 6.210 1.00 0.00 C ATOM 969 CG2 VAL A 379 10.466 -5.916 8.717 1.00 0.00 C ATOM 0 H VAL A 379 11.089 -3.186 9.281 1.00 0.00 H new ATOM 0 HA VAL A 379 12.597 -4.664 7.245 1.00 0.00 H new ATOM 0 HB VAL A 379 9.591 -4.427 7.475 1.00 0.00 H new ATOM 0 HG11 VAL A 379 9.625 -6.548 6.219 1.00 0.00 H new ATOM 0 HG12 VAL A 379 10.441 -5.235 5.336 1.00 0.00 H new ATOM 0 HG13 VAL A 379 11.402 -6.480 6.168 1.00 0.00 H new ATOM 0 HG21 VAL A 379 9.600 -6.577 8.676 1.00 0.00 H new ATOM 0 HG22 VAL A 379 11.377 -6.513 8.761 1.00 0.00 H new ATOM 0 HG23 VAL A 379 10.401 -5.288 9.605 1.00 0.00 H new ATOM 979 N ARG A 380 12.041 -3.162 5.312 1.00 0.00 N ATOM 980 CA ARG A 380 11.826 -2.263 4.198 1.00 0.00 C ATOM 981 C ARG A 380 11.193 -3.063 3.077 1.00 0.00 C ATOM 982 O ARG A 380 11.879 -3.755 2.323 1.00 0.00 O ATOM 983 CB ARG A 380 13.156 -1.633 3.762 1.00 0.00 C ATOM 984 CG ARG A 380 13.028 -0.506 2.748 1.00 0.00 C ATOM 985 CD ARG A 380 13.258 -0.984 1.322 1.00 0.00 C ATOM 986 NE ARG A 380 13.401 0.143 0.402 1.00 0.00 N ATOM 987 CZ ARG A 380 14.154 0.126 -0.698 1.00 0.00 C ATOM 988 NH1 ARG A 380 14.748 -0.994 -1.092 1.00 0.00 N ATOM 989 NH2 ARG A 380 14.291 1.232 -1.419 1.00 0.00 N ATOM 0 H ARG A 380 12.668 -3.939 5.104 1.00 0.00 H new ATOM 0 HA ARG A 380 11.164 -1.444 4.480 1.00 0.00 H new ATOM 0 HB2 ARG A 380 13.667 -1.251 4.646 1.00 0.00 H new ATOM 0 HB3 ARG A 380 13.789 -2.413 3.339 1.00 0.00 H new ATOM 0 HG2 ARG A 380 12.035 -0.062 2.825 1.00 0.00 H new ATOM 0 HG3 ARG A 380 13.747 0.278 2.987 1.00 0.00 H new ATOM 0 HD2 ARG A 380 14.154 -1.604 1.284 1.00 0.00 H new ATOM 0 HD3 ARG A 380 12.423 -1.610 1.007 1.00 0.00 H new ATOM 0 HE ARG A 380 12.890 1.000 0.616 1.00 0.00 H new ATOM 0 HH11 ARG A 380 14.630 -1.851 -0.552 1.00 0.00 H new ATOM 0 HH12 ARG A 380 15.322 -0.997 -1.935 1.00 0.00 H new ATOM 0 HH21 ARG A 380 13.821 2.090 -1.131 1.00 0.00 H new ATOM 0 HH22 ARG A 380 14.866 1.224 -2.261 1.00 0.00 H new ATOM 1003 N LYS A 381 9.877 -3.013 3.005 1.00 0.00 N ATOM 1004 CA LYS A 381 9.148 -3.852 2.080 1.00 0.00 C ATOM 1005 C LYS A 381 8.835 -3.091 0.805 1.00 0.00 C ATOM 1006 O LYS A 381 8.168 -2.057 0.828 1.00 0.00 O ATOM 1007 CB LYS A 381 7.866 -4.369 2.727 1.00 0.00 C ATOM 1008 CG LYS A 381 7.259 -5.561 2.006 1.00 0.00 C ATOM 1009 CD LYS A 381 5.957 -6.009 2.656 1.00 0.00 C ATOM 1010 CE LYS A 381 6.164 -6.459 4.095 1.00 0.00 C ATOM 1011 NZ LYS A 381 4.905 -6.954 4.714 1.00 0.00 N ATOM 0 H LYS A 381 9.294 -2.401 3.576 1.00 0.00 H new ATOM 0 HA LYS A 381 9.772 -4.708 1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 381 8.077 -4.648 3.759 1.00 0.00 H new ATOM 0 HB3 LYS A 381 7.134 -3.562 2.758 1.00 0.00 H new ATOM 0 HG2 LYS A 381 7.075 -5.301 0.964 1.00 0.00 H new ATOM 0 HG3 LYS A 381 7.970 -6.388 2.007 1.00 0.00 H new ATOM 0 HD2 LYS A 381 5.239 -5.189 2.632 1.00 0.00 H new ATOM 0 HD3 LYS A 381 5.526 -6.827 2.079 1.00 0.00 H new ATOM 0 HE2 LYS A 381 6.916 -7.248 4.123 1.00 0.00 H new ATOM 0 HE3 LYS A 381 6.553 -5.627 4.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 5.093 -7.250 5.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 4.195 -6.194 4.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 4.546 -7.765 4.170 1.00 0.00 H new ATOM 1025 N THR A 382 9.334 -3.607 -0.294 1.00 0.00 N ATOM 1026 CA THR A 382 9.139 -3.000 -1.592 1.00 0.00 C ATOM 1027 C THR A 382 8.437 -3.987 -2.515 1.00 0.00 C ATOM 1028 O THR A 382 8.535 -5.194 -2.323 1.00 0.00 O ATOM 1029 CB THR A 382 10.495 -2.586 -2.198 1.00 0.00 C ATOM 1030 OG1 THR A 382 11.149 -1.652 -1.332 1.00 0.00 O ATOM 1031 CG2 THR A 382 10.321 -1.963 -3.570 1.00 0.00 C ATOM 0 H THR A 382 9.889 -4.463 -0.314 1.00 0.00 H new ATOM 0 HA THR A 382 8.522 -2.109 -1.479 1.00 0.00 H new ATOM 0 HB THR A 382 11.103 -3.485 -2.304 1.00 0.00 H new ATOM 0 HG1 THR A 382 12.011 -1.394 -1.721 1.00 0.00 H new ATOM 0 HG21 THR A 382 11.296 -1.683 -3.969 1.00 0.00 H new ATOM 0 HG22 THR A 382 9.849 -2.682 -4.239 1.00 0.00 H new ATOM 0 HG23 THR A 382 9.693 -1.076 -3.490 1.00 0.00 H new ATOM 1039 N ALA A 383 7.712 -3.485 -3.494 1.00 0.00 N ATOM 1040 CA ALA A 383 7.052 -4.348 -4.448 1.00 0.00 C ATOM 1041 C ALA A 383 7.140 -3.757 -5.840 1.00 0.00 C ATOM 1042 O ALA A 383 7.268 -2.541 -6.006 1.00 0.00 O ATOM 1043 CB ALA A 383 5.599 -4.565 -4.054 1.00 0.00 C ATOM 0 H ALA A 383 7.566 -2.487 -3.648 1.00 0.00 H new ATOM 0 HA ALA A 383 7.556 -5.314 -4.448 1.00 0.00 H new ATOM 0 HB1 ALA A 383 5.118 -5.217 -4.783 1.00 0.00 H new ATOM 0 HB2 ALA A 383 5.555 -5.028 -3.068 1.00 0.00 H new ATOM 0 HB3 ALA A 383 5.082 -3.606 -4.028 1.00 0.00 H new ATOM 1049 N TYR A 384 7.092 -4.619 -6.833 1.00 0.00 N ATOM 1050 CA TYR A 384 7.039 -4.180 -8.207 1.00 0.00 C ATOM 1051 C TYR A 384 5.668 -4.531 -8.758 1.00 0.00 C ATOM 1052 O TYR A 384 5.112 -5.572 -8.414 1.00 0.00 O ATOM 1053 CB TYR A 384 8.149 -4.832 -9.044 1.00 0.00 C ATOM 1054 CG TYR A 384 9.537 -4.674 -8.451 1.00 0.00 C ATOM 1055 CD1 TYR A 384 10.281 -3.508 -8.628 1.00 0.00 C ATOM 1056 CD2 TYR A 384 10.103 -5.698 -7.707 1.00 0.00 C ATOM 1057 CE1 TYR A 384 11.542 -3.382 -8.078 1.00 0.00 C ATOM 1058 CE2 TYR A 384 11.362 -5.573 -7.151 1.00 0.00 C ATOM 1059 CZ TYR A 384 12.076 -4.412 -7.342 1.00 0.00 C ATOM 1060 OH TYR A 384 13.328 -4.274 -6.787 1.00 0.00 O ATOM 0 H TYR A 384 7.089 -5.632 -6.711 1.00 0.00 H new ATOM 0 HA TYR A 384 7.200 -3.103 -8.256 1.00 0.00 H new ATOM 0 HB2 TYR A 384 7.931 -5.894 -9.156 1.00 0.00 H new ATOM 0 HB3 TYR A 384 8.140 -4.398 -10.044 1.00 0.00 H new ATOM 0 HD1 TYR A 384 9.866 -2.693 -9.202 1.00 0.00 H new ATOM 0 HD2 TYR A 384 9.548 -6.613 -7.559 1.00 0.00 H new ATOM 0 HE1 TYR A 384 12.108 -2.474 -8.227 1.00 0.00 H new ATOM 0 HE2 TYR A 384 11.783 -6.381 -6.571 1.00 0.00 H new ATOM 0 HH TYR A 384 13.560 -5.090 -6.297 1.00 0.00 H new ATOM 1070 N CYS A 385 5.124 -3.663 -9.592 1.00 0.00 N ATOM 1071 CA CYS A 385 3.753 -3.835 -10.076 1.00 0.00 C ATOM 1072 C CYS A 385 3.596 -5.127 -10.878 1.00 0.00 C ATOM 1073 O CYS A 385 4.553 -5.630 -11.459 1.00 0.00 O ATOM 1074 CB CYS A 385 3.318 -2.627 -10.913 1.00 0.00 C ATOM 1075 SG CYS A 385 4.418 -2.219 -12.297 1.00 0.00 S ATOM 0 H CYS A 385 5.601 -2.835 -9.950 1.00 0.00 H new ATOM 0 HA CYS A 385 3.104 -3.906 -9.203 1.00 0.00 H new ATOM 0 HB2 CYS A 385 2.319 -2.817 -11.306 1.00 0.00 H new ATOM 0 HB3 CYS A 385 3.244 -1.758 -10.259 1.00 0.00 H new ATOM 0 HG CYS A 385 5.570 -1.832 -11.836 1.00 0.00 H new ATOM 1080 N ASP A 386 2.381 -5.657 -10.894 1.00 0.00 N ATOM 1081 CA ASP A 386 2.090 -6.925 -11.566 1.00 0.00 C ATOM 1082 C ASP A 386 2.395 -6.847 -13.060 1.00 0.00 C ATOM 1083 O ASP A 386 2.797 -7.834 -13.671 1.00 0.00 O ATOM 1084 CB ASP A 386 0.625 -7.313 -11.338 1.00 0.00 C ATOM 1085 CG ASP A 386 0.236 -8.587 -12.062 1.00 0.00 C ATOM 1086 OD1 ASP A 386 0.728 -9.670 -11.684 1.00 0.00 O ATOM 1087 OD2 ASP A 386 -0.593 -8.513 -12.994 1.00 0.00 O ATOM 0 H ASP A 386 1.571 -5.227 -10.446 1.00 0.00 H new ATOM 0 HA ASP A 386 2.734 -7.692 -11.137 1.00 0.00 H new ATOM 0 HB2 ASP A 386 0.449 -7.439 -10.270 1.00 0.00 H new ATOM 0 HB3 ASP A 386 -0.018 -6.499 -11.673 1.00 0.00 H new ATOM 1092 N VAL A 387 2.235 -5.663 -13.636 1.00 0.00 N ATOM 1093 CA VAL A 387 2.511 -5.461 -15.056 1.00 0.00 C ATOM 1094 C VAL A 387 3.997 -5.206 -15.298 1.00 0.00 C ATOM 1095 O VAL A 387 4.438 -5.055 -16.436 1.00 0.00 O ATOM 1096 CB VAL A 387 1.689 -4.290 -15.637 1.00 0.00 C ATOM 1097 CG1 VAL A 387 0.201 -4.595 -15.567 1.00 0.00 C ATOM 1098 CG2 VAL A 387 2.005 -2.991 -14.907 1.00 0.00 C ATOM 0 H VAL A 387 1.916 -4.828 -13.145 1.00 0.00 H new ATOM 0 HA VAL A 387 2.217 -6.378 -15.566 1.00 0.00 H new ATOM 0 HB VAL A 387 1.966 -4.167 -16.684 1.00 0.00 H new ATOM 0 HG11 VAL A 387 -0.362 -3.758 -15.981 1.00 0.00 H new ATOM 0 HG12 VAL A 387 -0.013 -5.496 -16.142 1.00 0.00 H new ATOM 0 HG13 VAL A 387 -0.090 -4.750 -14.528 1.00 0.00 H new ATOM 0 HG21 VAL A 387 1.414 -2.181 -15.334 1.00 0.00 H new ATOM 0 HG22 VAL A 387 1.762 -3.099 -13.850 1.00 0.00 H new ATOM 0 HG23 VAL A 387 3.065 -2.762 -15.014 1.00 0.00 H new ATOM 1108 N HIS A 388 4.770 -5.167 -14.220 1.00 0.00 N ATOM 1109 CA HIS A 388 6.209 -4.966 -14.319 1.00 0.00 C ATOM 1110 C HIS A 388 6.851 -6.256 -14.799 1.00 0.00 C ATOM 1111 O HIS A 388 7.791 -6.245 -15.591 1.00 0.00 O ATOM 1112 CB HIS A 388 6.783 -4.565 -12.957 1.00 0.00 C ATOM 1113 CG HIS A 388 8.135 -3.929 -13.013 1.00 0.00 C ATOM 1114 ND1 HIS A 388 8.333 -2.579 -12.786 1.00 0.00 N ATOM 1115 CD2 HIS A 388 9.361 -4.460 -13.229 1.00 0.00 C ATOM 1116 CE1 HIS A 388 9.633 -2.316 -12.862 1.00 0.00 C ATOM 1117 NE2 HIS A 388 10.274 -3.438 -13.127 1.00 0.00 N ATOM 0 H HIS A 388 4.424 -5.272 -13.266 1.00 0.00 H new ATOM 0 HA HIS A 388 6.419 -4.165 -15.027 1.00 0.00 H new ATOM 0 HB2 HIS A 388 6.091 -3.874 -12.475 1.00 0.00 H new ATOM 0 HB3 HIS A 388 6.839 -5.452 -12.326 1.00 0.00 H new ATOM 0 HD1 HIS A 388 7.600 -1.897 -12.592 1.00 0.00 H new ATOM 0 HD2 HIS A 388 9.581 -5.496 -13.442 1.00 0.00 H new ATOM 0 HE1 HIS A 388 10.089 -1.346 -12.729 1.00 0.00 H new ATOM 1125 N THR A 389 6.320 -7.362 -14.308 1.00 0.00 N ATOM 1126 CA THR A 389 6.758 -8.678 -14.724 1.00 0.00 C ATOM 1127 C THR A 389 5.679 -9.302 -15.605 1.00 0.00 C ATOM 1128 O THR A 389 4.552 -9.491 -15.153 1.00 0.00 O ATOM 1129 CB THR A 389 7.015 -9.584 -13.503 1.00 0.00 C ATOM 1130 OG1 THR A 389 7.777 -8.871 -12.517 1.00 0.00 O ATOM 1131 CG2 THR A 389 7.763 -10.849 -13.907 1.00 0.00 C ATOM 0 H THR A 389 5.575 -7.371 -13.611 1.00 0.00 H new ATOM 0 HA THR A 389 7.691 -8.581 -15.280 1.00 0.00 H new ATOM 0 HB THR A 389 6.050 -9.871 -13.085 1.00 0.00 H new ATOM 0 HG1 THR A 389 7.935 -9.451 -11.743 1.00 0.00 H new ATOM 0 HG21 THR A 389 7.931 -11.469 -13.027 1.00 0.00 H new ATOM 0 HG22 THR A 389 7.172 -11.404 -14.635 1.00 0.00 H new ATOM 0 HG23 THR A 389 8.722 -10.579 -14.349 1.00 0.00 H new ATOM 1139 N PRO A 390 6.002 -9.603 -16.877 1.00 0.00 N ATOM 1140 CA PRO A 390 5.035 -10.157 -17.833 1.00 0.00 C ATOM 1141 C PRO A 390 4.253 -11.339 -17.260 1.00 0.00 C ATOM 1142 O PRO A 390 4.842 -12.360 -16.901 1.00 0.00 O ATOM 1143 CB PRO A 390 5.916 -10.617 -18.994 1.00 0.00 C ATOM 1144 CG PRO A 390 7.105 -9.724 -18.939 1.00 0.00 C ATOM 1145 CD PRO A 390 7.339 -9.434 -17.481 1.00 0.00 C ATOM 0 HA PRO A 390 4.276 -9.426 -18.112 1.00 0.00 H new ATOM 0 HB2 PRO A 390 6.201 -11.664 -18.885 1.00 0.00 H new ATOM 0 HB3 PRO A 390 5.395 -10.526 -19.947 1.00 0.00 H new ATOM 0 HG2 PRO A 390 7.975 -10.205 -19.386 1.00 0.00 H new ATOM 0 HG3 PRO A 390 6.928 -8.804 -19.496 1.00 0.00 H new ATOM 0 HD2 PRO A 390 8.065 -10.121 -17.047 1.00 0.00 H new ATOM 0 HD3 PRO A 390 7.724 -8.425 -17.329 1.00 0.00 H new