USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=29 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 -123:sc= 0.14! USER MOD Set 1.2: A 346 CYS SG : rot -63:sc= 1.92 USER MOD Set 1.3: A 348 THR OG1 : rot 180:sc= 1.03 USER MOD Set 1.4: A 385 CYS SG : rot -75:sc= -2.82! USER MOD Set 1.5: A 388 HIS : no HE2:sc= -0.34 K(o=-0.07,f=-5.6!) USER MOD Set 2.1: A 342 HIS : no HD1:sc= -1.11! C(o=-0.42!,f=-3.5!) USER MOD Set 2.2: A 384 TYR OH : rot 61:sc= 0.691 USER MOD Set 3.1: A 327 CYS SG : rot -118:sc= -0.276 USER MOD Set 3.2: A 330 CYS SG : rot 45:sc= -3.78! USER MOD Set 3.3: A 351 HIS : no HE2:sc= -4.67! C(o=-13!,f=-23!) USER MOD Set 3.4: A 354 CYS SG : rot 180:sc= -4.77! USER MOD Single : A 326 THR OG1 : rot 180:sc=-0.00194 USER MOD Single : A 328 TYR OH : rot 130:sc= 0.681 USER MOD Single : A 331 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.123) USER MOD Single : A 332 GLN : amide:sc= -0.934 K(o=-0.93,f=-0.0018) USER MOD Single : A 333 LYS NZ :NH3+ -155:sc= -0.136 (180deg=-0.749) USER MOD Single : A 338 SER OG : rot 39:sc= 0.0263 USER MOD Single : A 340 GLN : amide:sc= -0.0202 X(o=-0.02,f=-0.44) USER MOD Single : A 343 LYS NZ :NH3+ -164:sc= -0.0428 (180deg=-0.33) USER MOD Single : A 345 ASN : amide:sc= -0.758 K(o=-0.76,f=-0.0025) USER MOD Single : A 347 TYR OH : rot 180:sc= 0 USER MOD Single : A 353 THR OG1 : rot 180:sc= 0 USER MOD Single : A 356 GLN : amide:sc=-0.00126 K(o=-0.0013,f=-0.54) USER MOD Single : A 357 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 TYR OH : rot 180:sc= 0 USER MOD Single : A 362 MET CE :methyl 177:sc= 0 (180deg=-0.0103) USER MOD Single : A 363 LYS NZ :NH3+ 174:sc= 0.261 (180deg=-0.212) USER MOD Single : A 364 MET CE :methyl -157:sc= 0 (180deg=-0.4) USER MOD Single : A 368 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 371 THR OG1 : rot 180:sc= 0.00605 USER MOD Single : A 375 THR OG1 : rot 40:sc= 0.0896 USER MOD Single : A 376 THR OG1 : rot 34:sc= -3.16! USER MOD Single : A 378 SER OG : rot 115:sc= 1.27 USER MOD Single : A 381 LYS NZ :NH3+ -172:sc= 1.41 (180deg=1.22) 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 -3.026 9.273 -6.318 1.00 0.00 N ATOM 160 CA LEU A 325 -2.432 8.238 -7.148 1.00 0.00 C ATOM 161 C LEU A 325 -3.477 7.192 -7.511 1.00 0.00 C ATOM 162 O LEU A 325 -4.126 6.615 -6.632 1.00 0.00 O ATOM 163 CB LEU A 325 -1.264 7.580 -6.407 1.00 0.00 C ATOM 164 CG LEU A 325 -0.157 8.535 -5.953 1.00 0.00 C ATOM 165 CD1 LEU A 325 0.884 7.785 -5.136 1.00 0.00 C ATOM 166 CD2 LEU A 325 0.497 9.212 -7.150 1.00 0.00 C ATOM 0 HA LEU A 325 -2.058 8.693 -8.065 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -1.656 7.062 -5.532 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -0.824 6.822 -7.056 1.00 0.00 H new ATOM 0 HG LEU A 325 -0.605 9.306 -5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 325 1.665 8.476 -4.820 1.00 0.00 H new ATOM 0 HD12 LEU A 325 0.410 7.346 -4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 325 1.323 6.994 -5.744 1.00 0.00 H new ATOM 0 HD21 LEU A 325 1.280 9.886 -6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 325 0.932 8.455 -7.803 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -0.253 9.780 -7.701 1.00 0.00 H new ATOM 178 N THR A 326 -3.659 6.967 -8.802 1.00 0.00 N ATOM 179 CA THR A 326 -4.638 6.006 -9.255 1.00 0.00 C ATOM 180 C THR A 326 -4.061 4.602 -9.236 1.00 0.00 C ATOM 181 O THR A 326 -3.005 4.334 -9.806 1.00 0.00 O ATOM 182 CB THR A 326 -5.151 6.327 -10.666 1.00 0.00 C ATOM 183 OG1 THR A 326 -5.443 7.729 -10.769 1.00 0.00 O ATOM 184 CG2 THR A 326 -6.407 5.521 -10.976 1.00 0.00 C ATOM 0 H THR A 326 -3.143 7.436 -9.547 1.00 0.00 H new ATOM 0 HA THR A 326 -5.480 6.065 -8.565 1.00 0.00 H new ATOM 0 HB THR A 326 -4.377 6.060 -11.385 1.00 0.00 H new ATOM 0 HG1 THR A 326 -5.768 7.930 -11.671 1.00 0.00 H new ATOM 0 HG21 THR A 326 -6.755 5.762 -11.980 1.00 0.00 H new ATOM 0 HG22 THR A 326 -6.180 4.457 -10.917 1.00 0.00 H new ATOM 0 HG23 THR A 326 -7.185 5.767 -10.253 1.00 0.00 H new ATOM 192 N CYS A 327 -4.769 3.729 -8.560 1.00 0.00 N ATOM 193 CA CYS A 327 -4.408 2.329 -8.472 1.00 0.00 C ATOM 194 C CYS A 327 -4.864 1.621 -9.736 1.00 0.00 C ATOM 195 O CYS A 327 -6.062 1.541 -9.991 1.00 0.00 O ATOM 196 CB CYS A 327 -5.079 1.728 -7.229 1.00 0.00 C ATOM 197 SG CYS A 327 -5.071 -0.083 -7.115 1.00 0.00 S ATOM 0 H CYS A 327 -5.619 3.969 -8.050 1.00 0.00 H new ATOM 0 HA CYS A 327 -3.328 2.210 -8.381 1.00 0.00 H new ATOM 0 HB2 CYS A 327 -4.585 2.130 -6.344 1.00 0.00 H new ATOM 0 HB3 CYS A 327 -6.114 2.069 -7.199 1.00 0.00 H new ATOM 0 HG CYS A 327 -6.294 -0.523 -7.108 1.00 0.00 H new ATOM 202 N TYR A 328 -3.918 1.124 -10.532 1.00 0.00 N ATOM 203 CA TYR A 328 -4.266 0.485 -11.799 1.00 0.00 C ATOM 204 C TYR A 328 -5.007 -0.821 -11.537 1.00 0.00 C ATOM 205 O TYR A 328 -5.767 -1.298 -12.376 1.00 0.00 O ATOM 206 CB TYR A 328 -3.022 0.256 -12.668 1.00 0.00 C ATOM 207 CG TYR A 328 -2.091 -0.819 -12.162 1.00 0.00 C ATOM 208 CD1 TYR A 328 -1.167 -0.551 -11.164 1.00 0.00 C ATOM 209 CD2 TYR A 328 -2.136 -2.102 -12.689 1.00 0.00 C ATOM 210 CE1 TYR A 328 -0.311 -1.532 -10.704 1.00 0.00 C ATOM 211 CE2 TYR A 328 -1.286 -3.086 -12.236 1.00 0.00 C ATOM 212 CZ TYR A 328 -0.377 -2.800 -11.247 1.00 0.00 C ATOM 213 OH TYR A 328 0.467 -3.790 -10.802 1.00 0.00 O ATOM 0 H TYR A 328 -2.919 1.151 -10.326 1.00 0.00 H new ATOM 0 HA TYR A 328 -4.926 1.152 -12.354 1.00 0.00 H new ATOM 0 HB2 TYR A 328 -3.343 -0.005 -13.677 1.00 0.00 H new ATOM 0 HB3 TYR A 328 -2.469 1.192 -12.741 1.00 0.00 H new ATOM 0 HD1 TYR A 328 -1.116 0.441 -10.740 1.00 0.00 H new ATOM 0 HD2 TYR A 328 -2.849 -2.332 -13.467 1.00 0.00 H new ATOM 0 HE1 TYR A 328 0.404 -1.309 -9.926 1.00 0.00 H new ATOM 0 HE2 TYR A 328 -1.334 -4.079 -12.657 1.00 0.00 H new ATOM 0 HH TYR A 328 -0.054 -4.592 -10.588 1.00 0.00 H new ATOM 223 N LEU A 329 -4.779 -1.391 -10.361 1.00 0.00 N ATOM 224 CA LEU A 329 -5.597 -2.489 -9.874 1.00 0.00 C ATOM 225 C LEU A 329 -6.789 -1.896 -9.131 1.00 0.00 C ATOM 226 O LEU A 329 -6.919 -2.050 -7.904 1.00 0.00 O ATOM 227 CB LEU A 329 -4.784 -3.413 -8.960 1.00 0.00 C ATOM 228 CG LEU A 329 -3.572 -4.083 -9.615 1.00 0.00 C ATOM 229 CD1 LEU A 329 -2.766 -4.859 -8.587 1.00 0.00 C ATOM 230 CD2 LEU A 329 -4.013 -4.999 -10.746 1.00 0.00 C ATOM 0 H LEU A 329 -4.032 -1.109 -9.727 1.00 0.00 H new ATOM 0 HA LEU A 329 -5.945 -3.095 -10.711 1.00 0.00 H new ATOM 0 HB2 LEU A 329 -4.439 -2.836 -8.102 1.00 0.00 H new ATOM 0 HB3 LEU A 329 -5.445 -4.190 -8.577 1.00 0.00 H new ATOM 0 HG LEU A 329 -2.936 -3.302 -10.032 1.00 0.00 H new ATOM 0 HD11 LEU A 329 -1.910 -5.327 -9.073 1.00 0.00 H new ATOM 0 HD12 LEU A 329 -2.415 -4.179 -7.811 1.00 0.00 H new ATOM 0 HD13 LEU A 329 -3.394 -5.629 -8.138 1.00 0.00 H new ATOM 0 HD21 LEU A 329 -3.138 -5.465 -11.199 1.00 0.00 H new ATOM 0 HD22 LEU A 329 -4.673 -5.772 -10.352 1.00 0.00 H new ATOM 0 HD23 LEU A 329 -4.544 -4.417 -11.499 1.00 0.00 H new ATOM 242 N CYS A 330 -7.587 -1.146 -9.901 1.00 0.00 N ATOM 243 CA CYS A 330 -8.750 -0.390 -9.433 1.00 0.00 C ATOM 244 C CYS A 330 -9.184 0.576 -10.529 1.00 0.00 C ATOM 245 O CYS A 330 -8.539 0.688 -11.571 1.00 0.00 O ATOM 246 CB CYS A 330 -8.440 0.458 -8.188 1.00 0.00 C ATOM 247 SG CYS A 330 -8.612 -0.379 -6.599 1.00 0.00 S ATOM 0 H CYS A 330 -7.433 -1.047 -10.904 1.00 0.00 H new ATOM 0 HA CYS A 330 -9.523 -1.117 -9.184 1.00 0.00 H new ATOM 0 HB2 CYS A 330 -7.419 0.831 -8.271 1.00 0.00 H new ATOM 0 HB3 CYS A 330 -9.098 1.327 -8.192 1.00 0.00 H new ATOM 0 HG CYS A 330 -8.058 -1.553 -6.665 1.00 0.00 H new ATOM 252 N LYS A 331 -10.281 1.268 -10.278 1.00 0.00 N ATOM 253 CA LYS A 331 -10.631 2.453 -11.038 1.00 0.00 C ATOM 254 C LYS A 331 -10.822 3.584 -10.034 1.00 0.00 C ATOM 255 O LYS A 331 -11.513 4.567 -10.278 1.00 0.00 O ATOM 256 CB LYS A 331 -11.901 2.224 -11.863 1.00 0.00 C ATOM 257 CG LYS A 331 -12.179 3.341 -12.859 1.00 0.00 C ATOM 258 CD LYS A 331 -13.512 3.157 -13.560 1.00 0.00 C ATOM 259 CE LYS A 331 -13.793 4.295 -14.531 1.00 0.00 C ATOM 260 NZ LYS A 331 -13.980 5.598 -13.834 1.00 0.00 N ATOM 0 H LYS A 331 -10.950 1.026 -9.547 1.00 0.00 H new ATOM 0 HA LYS A 331 -9.843 2.701 -11.749 1.00 0.00 H new ATOM 0 HB2 LYS A 331 -11.812 1.280 -12.401 1.00 0.00 H new ATOM 0 HB3 LYS A 331 -12.752 2.127 -11.189 1.00 0.00 H new ATOM 0 HG2 LYS A 331 -12.171 4.300 -12.340 1.00 0.00 H new ATOM 0 HG3 LYS A 331 -11.381 3.373 -13.600 1.00 0.00 H new ATOM 0 HD2 LYS A 331 -13.513 2.209 -14.098 1.00 0.00 H new ATOM 0 HD3 LYS A 331 -14.310 3.104 -12.819 1.00 0.00 H new ATOM 0 HE2 LYS A 331 -12.968 4.379 -15.238 1.00 0.00 H new ATOM 0 HE3 LYS A 331 -14.687 4.063 -15.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 -14.350 6.301 -14.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 -14.654 5.479 -13.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 -13.067 5.925 -13.458 1.00 0.00 H new ATOM 274 N GLN A 332 -10.149 3.431 -8.904 1.00 0.00 N ATOM 275 CA GLN A 332 -10.349 4.289 -7.756 1.00 0.00 C ATOM 276 C GLN A 332 -9.015 4.833 -7.271 1.00 0.00 C ATOM 277 O GLN A 332 -8.166 4.084 -6.776 1.00 0.00 O ATOM 278 CB GLN A 332 -11.038 3.514 -6.629 1.00 0.00 C ATOM 279 CG GLN A 332 -12.433 3.016 -6.989 1.00 0.00 C ATOM 280 CD GLN A 332 -13.078 2.189 -5.889 1.00 0.00 C ATOM 281 OE1 GLN A 332 -14.299 2.198 -5.728 1.00 0.00 O ATOM 282 NE2 GLN A 332 -12.276 1.453 -5.134 1.00 0.00 N ATOM 0 H GLN A 332 -9.447 2.705 -8.761 1.00 0.00 H new ATOM 0 HA GLN A 332 -10.986 5.123 -8.050 1.00 0.00 H new ATOM 0 HB2 GLN A 332 -10.417 2.661 -6.355 1.00 0.00 H new ATOM 0 HB3 GLN A 332 -11.107 4.154 -5.749 1.00 0.00 H new ATOM 0 HG2 GLN A 332 -13.070 3.872 -7.212 1.00 0.00 H new ATOM 0 HG3 GLN A 332 -12.374 2.417 -7.898 1.00 0.00 H new ATOM 0 HE21 GLN A 332 -11.269 1.469 -5.294 1.00 0.00 H new ATOM 0 HE22 GLN A 332 -12.666 0.871 -4.393 1.00 0.00 H new ATOM 291 N LYS A 333 -8.832 6.123 -7.443 1.00 0.00 N ATOM 292 CA LYS A 333 -7.634 6.806 -6.973 1.00 0.00 C ATOM 293 C LYS A 333 -7.737 7.078 -5.477 1.00 0.00 C ATOM 294 O LYS A 333 -8.760 7.568 -4.994 1.00 0.00 O ATOM 295 CB LYS A 333 -7.404 8.109 -7.758 1.00 0.00 C ATOM 296 CG LYS A 333 -8.666 8.923 -7.997 1.00 0.00 C ATOM 297 CD LYS A 333 -8.385 10.167 -8.820 1.00 0.00 C ATOM 298 CE LYS A 333 -9.671 10.758 -9.384 1.00 0.00 C ATOM 299 NZ LYS A 333 -10.393 9.795 -10.262 1.00 0.00 N ATOM 0 H LYS A 333 -9.504 6.732 -7.910 1.00 0.00 H new ATOM 0 HA LYS A 333 -6.774 6.159 -7.146 1.00 0.00 H new ATOM 0 HB2 LYS A 333 -6.685 8.724 -7.217 1.00 0.00 H new ATOM 0 HB3 LYS A 333 -6.954 7.866 -8.721 1.00 0.00 H new ATOM 0 HG2 LYS A 333 -9.405 8.307 -8.510 1.00 0.00 H new ATOM 0 HG3 LYS A 333 -9.100 9.211 -7.039 1.00 0.00 H new ATOM 0 HD2 LYS A 333 -7.882 10.910 -8.201 1.00 0.00 H new ATOM 0 HD3 LYS A 333 -7.707 9.920 -9.637 1.00 0.00 H new ATOM 0 HE2 LYS A 333 -10.322 11.058 -8.563 1.00 0.00 H new ATOM 0 HE3 LYS A 333 -9.437 11.659 -9.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 333 -10.986 10.318 -10.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 333 -9.704 9.216 -10.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 333 -10.994 9.177 -9.680 1.00 0.00 H new ATOM 313 N GLY A 334 -6.679 6.744 -4.749 1.00 0.00 N ATOM 314 CA GLY A 334 -6.702 6.864 -3.305 1.00 0.00 C ATOM 315 C GLY A 334 -7.459 5.719 -2.657 1.00 0.00 C ATOM 316 O GLY A 334 -7.135 4.544 -2.887 1.00 0.00 O ATOM 0 H GLY A 334 -5.803 6.391 -5.135 1.00 0.00 H new ATOM 0 HA2 GLY A 334 -5.680 6.885 -2.926 1.00 0.00 H new ATOM 0 HA3 GLY A 334 -7.165 7.810 -3.026 1.00 0.00 H new ATOM 320 N VAL A 335 -8.468 6.061 -1.852 1.00 0.00 N ATOM 321 CA VAL A 335 -9.329 5.082 -1.177 1.00 0.00 C ATOM 322 C VAL A 335 -8.617 4.407 0.002 1.00 0.00 C ATOM 323 O VAL A 335 -9.126 4.415 1.125 1.00 0.00 O ATOM 324 CB VAL A 335 -9.887 4.016 -2.155 1.00 0.00 C ATOM 325 CG1 VAL A 335 -10.526 2.851 -1.400 1.00 0.00 C ATOM 326 CG2 VAL A 335 -10.894 4.653 -3.110 1.00 0.00 C ATOM 0 H VAL A 335 -8.713 7.030 -1.648 1.00 0.00 H new ATOM 0 HA VAL A 335 -10.175 5.646 -0.783 1.00 0.00 H new ATOM 0 HB VAL A 335 -9.054 3.619 -2.735 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -10.908 2.121 -2.113 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -9.780 2.379 -0.761 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -11.347 3.222 -0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 335 -11.279 3.895 -3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 335 -11.719 5.079 -2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 335 -10.404 5.441 -3.683 1.00 0.00 H new ATOM 336 N GLY A 336 -7.448 3.829 -0.243 1.00 0.00 N ATOM 337 CA GLY A 336 -6.717 3.176 0.819 1.00 0.00 C ATOM 338 C GLY A 336 -5.241 3.495 0.768 1.00 0.00 C ATOM 339 O GLY A 336 -4.853 4.621 0.464 1.00 0.00 O ATOM 0 H GLY A 336 -6.996 3.802 -1.157 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -7.122 3.486 1.782 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -6.858 2.098 0.746 1.00 0.00 H new ATOM 343 N ALA A 337 -4.421 2.501 1.051 1.00 0.00 N ATOM 344 CA ALA A 337 -2.979 2.670 1.021 1.00 0.00 C ATOM 345 C ALA A 337 -2.443 2.321 -0.356 1.00 0.00 C ATOM 346 O ALA A 337 -2.804 1.287 -0.926 1.00 0.00 O ATOM 347 CB ALA A 337 -2.318 1.811 2.087 1.00 0.00 C ATOM 0 H ALA A 337 -4.730 1.563 1.306 1.00 0.00 H new ATOM 0 HA ALA A 337 -2.744 3.713 1.233 1.00 0.00 H new ATOM 0 HB1 ALA A 337 -1.238 1.951 2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 337 -2.687 2.103 3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 337 -2.554 0.762 1.907 1.00 0.00 H new ATOM 353 N SER A 338 -1.608 3.189 -0.896 1.00 0.00 N ATOM 354 CA SER A 338 -1.029 2.970 -2.204 1.00 0.00 C ATOM 355 C SER A 338 0.491 2.887 -2.124 1.00 0.00 C ATOM 356 O SER A 338 1.159 3.823 -1.680 1.00 0.00 O ATOM 357 CB SER A 338 -1.467 4.084 -3.156 1.00 0.00 C ATOM 358 OG SER A 338 -1.333 5.360 -2.552 1.00 0.00 O ATOM 0 H SER A 338 -1.316 4.056 -0.445 1.00 0.00 H new ATOM 0 HA SER A 338 -1.388 2.016 -2.590 1.00 0.00 H new ATOM 0 HB2 SER A 338 -0.867 4.045 -4.065 1.00 0.00 H new ATOM 0 HB3 SER A 338 -2.504 3.926 -3.451 1.00 0.00 H new ATOM 0 HG SER A 338 -0.509 5.386 -2.022 1.00 0.00 H new ATOM 364 N ILE A 339 1.023 1.751 -2.538 1.00 0.00 N ATOM 365 CA ILE A 339 2.456 1.549 -2.582 1.00 0.00 C ATOM 366 C ILE A 339 2.931 1.697 -4.028 1.00 0.00 C ATOM 367 O ILE A 339 2.163 1.459 -4.964 1.00 0.00 O ATOM 368 CB ILE A 339 2.839 0.159 -2.011 1.00 0.00 C ATOM 369 CG1 ILE A 339 4.360 0.005 -1.918 1.00 0.00 C ATOM 370 CG2 ILE A 339 2.237 -0.960 -2.854 1.00 0.00 C ATOM 371 CD1 ILE A 339 4.801 -1.290 -1.268 1.00 0.00 C ATOM 0 H ILE A 339 0.476 0.949 -2.851 1.00 0.00 H new ATOM 0 HA ILE A 339 2.947 2.298 -1.961 1.00 0.00 H new ATOM 0 HB ILE A 339 2.428 0.086 -1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 339 4.784 0.061 -2.920 1.00 0.00 H new ATOM 0 HG13 ILE A 339 4.767 0.843 -1.352 1.00 0.00 H new ATOM 0 HG21 ILE A 339 2.520 -1.925 -2.433 1.00 0.00 H new ATOM 0 HG22 ILE A 339 1.151 -0.870 -2.856 1.00 0.00 H new ATOM 0 HG23 ILE A 339 2.609 -0.886 -3.876 1.00 0.00 H new ATOM 0 HD11 ILE A 339 5.890 -1.329 -1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 339 4.407 -1.340 -0.253 1.00 0.00 H new ATOM 0 HD13 ILE A 339 4.424 -2.134 -1.846 1.00 0.00 H new ATOM 383 N GLN A 340 4.176 2.111 -4.216 1.00 0.00 N ATOM 384 CA GLN A 340 4.684 2.382 -5.541 1.00 0.00 C ATOM 385 C GLN A 340 5.730 1.370 -5.955 1.00 0.00 C ATOM 386 O GLN A 340 6.633 1.026 -5.188 1.00 0.00 O ATOM 387 CB GLN A 340 5.272 3.787 -5.634 1.00 0.00 C ATOM 388 CG GLN A 340 4.231 4.880 -5.777 1.00 0.00 C ATOM 389 CD GLN A 340 4.831 6.198 -6.094 1.00 0.00 C ATOM 390 OE1 GLN A 340 5.989 6.480 -5.782 1.00 0.00 O ATOM 391 NE2 GLN A 340 4.024 7.033 -6.671 1.00 0.00 N ATOM 0 H GLN A 340 4.848 2.265 -3.464 1.00 0.00 H new ATOM 0 HA GLN A 340 3.836 2.307 -6.222 1.00 0.00 H new ATOM 0 HB2 GLN A 340 5.868 3.981 -4.742 1.00 0.00 H new ATOM 0 HB3 GLN A 340 5.950 3.831 -6.486 1.00 0.00 H new ATOM 0 HG2 GLN A 340 3.527 4.606 -6.563 1.00 0.00 H new ATOM 0 HG3 GLN A 340 3.661 4.957 -4.851 1.00 0.00 H new ATOM 0 HE21 GLN A 340 3.075 6.744 -6.907 1.00 0.00 H new ATOM 0 HE22 GLN A 340 4.339 7.978 -6.889 1.00 0.00 H new ATOM 400 N CYS A 341 5.561 0.888 -7.169 1.00 0.00 N ATOM 401 CA CYS A 341 6.554 0.058 -7.828 1.00 0.00 C ATOM 402 C CYS A 341 7.889 0.781 -7.868 1.00 0.00 C ATOM 403 O CYS A 341 7.949 1.981 -8.146 1.00 0.00 O ATOM 404 CB CYS A 341 6.112 -0.281 -9.256 1.00 0.00 C ATOM 405 SG CYS A 341 7.351 -1.177 -10.236 1.00 0.00 S ATOM 0 H CYS A 341 4.727 1.061 -7.731 1.00 0.00 H new ATOM 0 HA CYS A 341 6.658 -0.868 -7.263 1.00 0.00 H new ATOM 0 HB2 CYS A 341 5.202 -0.880 -9.209 1.00 0.00 H new ATOM 0 HB3 CYS A 341 5.858 0.644 -9.773 1.00 0.00 H new ATOM 0 HG CYS A 341 7.605 -0.514 -11.325 1.00 0.00 H new ATOM 410 N HIS A 342 8.951 0.042 -7.610 1.00 0.00 N ATOM 411 CA HIS A 342 10.282 0.616 -7.566 1.00 0.00 C ATOM 412 C HIS A 342 10.788 0.871 -8.993 1.00 0.00 C ATOM 413 O HIS A 342 10.034 0.712 -9.959 1.00 0.00 O ATOM 414 CB HIS A 342 11.220 -0.315 -6.785 1.00 0.00 C ATOM 415 CG HIS A 342 12.465 0.349 -6.274 1.00 0.00 C ATOM 416 ND1 HIS A 342 13.734 -0.099 -6.570 1.00 0.00 N ATOM 417 CD2 HIS A 342 12.626 1.424 -5.468 1.00 0.00 C ATOM 418 CE1 HIS A 342 14.620 0.672 -5.968 1.00 0.00 C ATOM 419 NE2 HIS A 342 13.974 1.606 -5.290 1.00 0.00 N ATOM 0 H HIS A 342 8.917 -0.961 -7.427 1.00 0.00 H new ATOM 0 HA HIS A 342 10.256 1.575 -7.049 1.00 0.00 H new ATOM 0 HB2 HIS A 342 10.674 -0.736 -5.941 1.00 0.00 H new ATOM 0 HB3 HIS A 342 11.504 -1.148 -7.428 1.00 0.00 H new ATOM 0 HD2 HIS A 342 11.838 2.028 -5.043 1.00 0.00 H new ATOM 0 HE1 HIS A 342 15.693 0.559 -6.020 1.00 0.00 H new ATOM 0 HE2 HIS A 342 14.406 2.340 -4.728 1.00 0.00 H new ATOM 428 N LYS A 343 12.066 1.235 -9.105 1.00 0.00 N ATOM 429 CA LYS A 343 12.675 1.681 -10.360 1.00 0.00 C ATOM 430 C LYS A 343 12.207 3.100 -10.691 1.00 0.00 C ATOM 431 O LYS A 343 11.012 3.350 -10.873 1.00 0.00 O ATOM 432 CB LYS A 343 12.384 0.712 -11.514 1.00 0.00 C ATOM 433 CG LYS A 343 13.432 0.737 -12.614 1.00 0.00 C ATOM 434 CD LYS A 343 14.806 0.364 -12.075 1.00 0.00 C ATOM 435 CE LYS A 343 15.824 0.196 -13.189 1.00 0.00 C ATOM 436 NZ LYS A 343 15.485 -0.932 -14.097 1.00 0.00 N ATOM 0 H LYS A 343 12.715 1.229 -8.318 1.00 0.00 H new ATOM 0 HA LYS A 343 13.757 1.691 -10.228 1.00 0.00 H new ATOM 0 HB2 LYS A 343 12.312 -0.300 -11.117 1.00 0.00 H new ATOM 0 HB3 LYS A 343 11.413 0.956 -11.945 1.00 0.00 H new ATOM 0 HG2 LYS A 343 13.149 0.043 -13.406 1.00 0.00 H new ATOM 0 HG3 LYS A 343 13.471 1.731 -13.060 1.00 0.00 H new ATOM 0 HD2 LYS A 343 15.147 1.136 -11.385 1.00 0.00 H new ATOM 0 HD3 LYS A 343 14.734 -0.563 -11.506 1.00 0.00 H new ATOM 0 HE2 LYS A 343 15.884 1.119 -13.766 1.00 0.00 H new ATOM 0 HE3 LYS A 343 16.810 0.027 -12.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 343 16.319 -1.184 -14.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 343 15.189 -1.754 -13.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 343 14.709 -0.648 -14.729 1.00 0.00 H new ATOM 450 N ALA A 344 13.172 4.016 -10.761 1.00 0.00 N ATOM 451 CA ALA A 344 12.911 5.455 -10.876 1.00 0.00 C ATOM 452 C ALA A 344 11.921 5.809 -11.981 1.00 0.00 C ATOM 453 O ALA A 344 11.001 6.595 -11.764 1.00 0.00 O ATOM 454 CB ALA A 344 14.219 6.197 -11.109 1.00 0.00 C ATOM 0 H ALA A 344 14.164 3.782 -10.740 1.00 0.00 H new ATOM 0 HA ALA A 344 12.454 5.762 -9.935 1.00 0.00 H new ATOM 0 HB1 ALA A 344 14.021 7.266 -11.194 1.00 0.00 H new ATOM 0 HB2 ALA A 344 14.893 6.018 -10.271 1.00 0.00 H new ATOM 0 HB3 ALA A 344 14.681 5.839 -12.029 1.00 0.00 H new ATOM 460 N ASN A 345 12.102 5.233 -13.160 1.00 0.00 N ATOM 461 CA ASN A 345 11.311 5.626 -14.326 1.00 0.00 C ATOM 462 C ASN A 345 9.934 4.978 -14.325 1.00 0.00 C ATOM 463 O ASN A 345 9.179 5.117 -15.286 1.00 0.00 O ATOM 464 CB ASN A 345 12.043 5.257 -15.621 1.00 0.00 C ATOM 465 CG ASN A 345 13.356 6.002 -15.797 1.00 0.00 C ATOM 466 OD1 ASN A 345 14.322 5.447 -16.321 1.00 0.00 O ATOM 467 ND2 ASN A 345 13.402 7.261 -15.382 1.00 0.00 N ATOM 0 H ASN A 345 12.784 4.496 -13.339 1.00 0.00 H new ATOM 0 HA ASN A 345 11.180 6.707 -14.271 1.00 0.00 H new ATOM 0 HB2 ASN A 345 12.237 4.184 -15.629 1.00 0.00 H new ATOM 0 HB3 ASN A 345 11.395 5.470 -16.471 1.00 0.00 H new ATOM 0 HD21 ASN A 345 14.259 7.803 -15.493 1.00 0.00 H new ATOM 0 HD22 ASN A 345 12.581 7.687 -14.952 1.00 0.00 H new ATOM 474 N CYS A 346 9.599 4.283 -13.249 1.00 0.00 N ATOM 475 CA CYS A 346 8.342 3.561 -13.191 1.00 0.00 C ATOM 476 C CYS A 346 7.349 4.256 -12.258 1.00 0.00 C ATOM 477 O CYS A 346 6.421 4.914 -12.728 1.00 0.00 O ATOM 478 CB CYS A 346 8.587 2.116 -12.747 1.00 0.00 C ATOM 479 SG CYS A 346 7.202 0.991 -13.058 1.00 0.00 S ATOM 0 H CYS A 346 10.176 4.205 -12.412 1.00 0.00 H new ATOM 0 HA CYS A 346 7.904 3.551 -14.189 1.00 0.00 H new ATOM 0 HB2 CYS A 346 9.470 1.736 -13.261 1.00 0.00 H new ATOM 0 HB3 CYS A 346 8.811 2.110 -11.680 1.00 0.00 H new ATOM 0 HG CYS A 346 6.170 1.371 -12.364 1.00 0.00 H new ATOM 484 N TYR A 347 7.560 4.112 -10.944 1.00 0.00 N ATOM 485 CA TYR A 347 6.660 4.672 -9.926 1.00 0.00 C ATOM 486 C TYR A 347 5.192 4.382 -10.231 1.00 0.00 C ATOM 487 O TYR A 347 4.437 5.253 -10.662 1.00 0.00 O ATOM 488 CB TYR A 347 6.894 6.175 -9.745 1.00 0.00 C ATOM 489 CG TYR A 347 8.176 6.492 -9.010 1.00 0.00 C ATOM 490 CD1 TYR A 347 8.549 5.760 -7.890 1.00 0.00 C ATOM 491 CD2 TYR A 347 9.004 7.527 -9.424 1.00 0.00 C ATOM 492 CE1 TYR A 347 9.712 6.049 -7.203 1.00 0.00 C ATOM 493 CE2 TYR A 347 10.171 7.821 -8.743 1.00 0.00 C ATOM 494 CZ TYR A 347 10.519 7.081 -7.634 1.00 0.00 C ATOM 495 OH TYR A 347 11.680 7.377 -6.950 1.00 0.00 O ATOM 0 H TYR A 347 8.356 3.606 -10.557 1.00 0.00 H new ATOM 0 HA TYR A 347 6.898 4.174 -8.986 1.00 0.00 H new ATOM 0 HB2 TYR A 347 6.916 6.654 -10.724 1.00 0.00 H new ATOM 0 HB3 TYR A 347 6.054 6.604 -9.199 1.00 0.00 H new ATOM 0 HD1 TYR A 347 7.919 4.951 -7.551 1.00 0.00 H new ATOM 0 HD2 TYR A 347 8.732 8.111 -10.291 1.00 0.00 H new ATOM 0 HE1 TYR A 347 9.988 5.470 -6.334 1.00 0.00 H new ATOM 0 HE2 TYR A 347 10.807 8.627 -9.079 1.00 0.00 H new ATOM 0 HH TYR A 347 12.133 8.130 -7.384 1.00 0.00 H new ATOM 505 N THR A 348 4.797 3.143 -9.997 1.00 0.00 N ATOM 506 CA THR A 348 3.431 2.711 -10.260 1.00 0.00 C ATOM 507 C THR A 348 2.684 2.526 -8.945 1.00 0.00 C ATOM 508 O THR A 348 3.166 1.833 -8.055 1.00 0.00 O ATOM 509 CB THR A 348 3.416 1.390 -11.047 1.00 0.00 C ATOM 510 OG1 THR A 348 4.406 1.431 -12.081 1.00 0.00 O ATOM 511 CG2 THR A 348 2.052 1.140 -11.666 1.00 0.00 C ATOM 0 H THR A 348 5.404 2.413 -9.624 1.00 0.00 H new ATOM 0 HA THR A 348 2.939 3.479 -10.857 1.00 0.00 H new ATOM 0 HB THR A 348 3.637 0.579 -10.354 1.00 0.00 H new ATOM 0 HG1 THR A 348 4.394 0.587 -12.579 1.00 0.00 H new ATOM 0 HG21 THR A 348 2.069 0.200 -12.217 1.00 0.00 H new ATOM 0 HG22 THR A 348 1.300 1.086 -10.879 1.00 0.00 H new ATOM 0 HG23 THR A 348 1.807 1.955 -12.347 1.00 0.00 H new ATOM 519 N ALA A 349 1.514 3.136 -8.824 1.00 0.00 N ATOM 520 CA ALA A 349 0.783 3.119 -7.568 1.00 0.00 C ATOM 521 C ALA A 349 -0.336 2.087 -7.577 1.00 0.00 C ATOM 522 O ALA A 349 -1.133 2.016 -8.516 1.00 0.00 O ATOM 523 CB ALA A 349 0.227 4.499 -7.263 1.00 0.00 C ATOM 0 H ALA A 349 1.053 3.646 -9.577 1.00 0.00 H new ATOM 0 HA ALA A 349 1.484 2.835 -6.783 1.00 0.00 H new ATOM 0 HB1 ALA A 349 -0.318 4.471 -6.319 1.00 0.00 H new ATOM 0 HB2 ALA A 349 1.047 5.213 -7.188 1.00 0.00 H new ATOM 0 HB3 ALA A 349 -0.448 4.804 -8.063 1.00 0.00 H new ATOM 529 N PHE A 350 -0.377 1.285 -6.525 1.00 0.00 N ATOM 530 CA PHE A 350 -1.428 0.295 -6.344 1.00 0.00 C ATOM 531 C PHE A 350 -1.641 0.026 -4.857 1.00 0.00 C ATOM 532 O PHE A 350 -0.771 0.314 -4.038 1.00 0.00 O ATOM 533 CB PHE A 350 -1.104 -1.003 -7.105 1.00 0.00 C ATOM 534 CG PHE A 350 0.293 -1.535 -6.899 1.00 0.00 C ATOM 535 CD1 PHE A 350 1.368 -0.981 -7.578 1.00 0.00 C ATOM 536 CD2 PHE A 350 0.528 -2.598 -6.041 1.00 0.00 C ATOM 537 CE1 PHE A 350 2.647 -1.476 -7.406 1.00 0.00 C ATOM 538 CE2 PHE A 350 1.805 -3.095 -5.867 1.00 0.00 C ATOM 539 CZ PHE A 350 2.866 -2.532 -6.550 1.00 0.00 C ATOM 0 H PHE A 350 0.314 1.301 -5.775 1.00 0.00 H new ATOM 0 HA PHE A 350 -2.355 0.691 -6.759 1.00 0.00 H new ATOM 0 HB2 PHE A 350 -1.816 -1.770 -6.803 1.00 0.00 H new ATOM 0 HB3 PHE A 350 -1.256 -0.829 -8.170 1.00 0.00 H new ATOM 0 HD1 PHE A 350 1.204 -0.152 -8.250 1.00 0.00 H new ATOM 0 HD2 PHE A 350 -0.296 -3.042 -5.503 1.00 0.00 H new ATOM 0 HE1 PHE A 350 3.474 -1.035 -7.943 1.00 0.00 H new ATOM 0 HE2 PHE A 350 1.974 -3.924 -5.196 1.00 0.00 H new ATOM 0 HZ PHE A 350 3.865 -2.919 -6.413 1.00 0.00 H new ATOM 549 N HIS A 351 -2.807 -0.504 -4.502 1.00 0.00 N ATOM 550 CA HIS A 351 -3.131 -0.748 -3.098 1.00 0.00 C ATOM 551 C HIS A 351 -2.329 -1.925 -2.568 1.00 0.00 C ATOM 552 O HIS A 351 -2.012 -2.852 -3.315 1.00 0.00 O ATOM 553 CB HIS A 351 -4.627 -1.030 -2.902 1.00 0.00 C ATOM 554 CG HIS A 351 -5.541 0.074 -3.332 1.00 0.00 C ATOM 555 ND1 HIS A 351 -6.471 -0.049 -4.370 1.00 0.00 N ATOM 556 CD2 HIS A 351 -5.692 1.321 -2.827 1.00 0.00 C ATOM 557 CE1 HIS A 351 -7.142 1.105 -4.457 1.00 0.00 C ATOM 558 NE2 HIS A 351 -6.687 1.935 -3.540 1.00 0.00 N ATOM 0 H HIS A 351 -3.539 -0.771 -5.160 1.00 0.00 H new ATOM 0 HA HIS A 351 -2.874 0.155 -2.545 1.00 0.00 H new ATOM 0 HB2 HIS A 351 -4.887 -1.932 -3.455 1.00 0.00 H new ATOM 0 HB3 HIS A 351 -4.807 -1.240 -1.848 1.00 0.00 H new ATOM 0 HD1 HIS A 351 -6.612 -0.872 -4.956 1.00 0.00 H new ATOM 0 HD2 HIS A 351 -5.131 1.752 -2.011 1.00 0.00 H new ATOM 0 HE1 HIS A 351 -7.929 1.321 -5.164 1.00 0.00 H new ATOM 566 N VAL A 352 -2.020 -1.893 -1.281 1.00 0.00 N ATOM 567 CA VAL A 352 -1.282 -2.979 -0.645 1.00 0.00 C ATOM 568 C VAL A 352 -2.097 -4.269 -0.693 1.00 0.00 C ATOM 569 O VAL A 352 -1.556 -5.353 -0.913 1.00 0.00 O ATOM 570 CB VAL A 352 -0.930 -2.640 0.821 1.00 0.00 C ATOM 571 CG1 VAL A 352 -0.093 -3.743 1.453 1.00 0.00 C ATOM 572 CG2 VAL A 352 -0.207 -1.304 0.902 1.00 0.00 C ATOM 0 H VAL A 352 -2.268 -1.127 -0.654 1.00 0.00 H new ATOM 0 HA VAL A 352 -0.352 -3.115 -1.196 1.00 0.00 H new ATOM 0 HB VAL A 352 -1.861 -2.563 1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 352 0.140 -3.478 2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 352 -0.652 -4.679 1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 352 0.833 -3.864 0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 352 0.033 -1.082 1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 352 0.713 -1.352 0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 352 -0.848 -0.518 0.502 1.00 0.00 H new ATOM 582 N THR A 353 -3.405 -4.141 -0.510 1.00 0.00 N ATOM 583 CA THR A 353 -4.302 -5.284 -0.587 1.00 0.00 C ATOM 584 C THR A 353 -4.379 -5.808 -2.025 1.00 0.00 C ATOM 585 O THR A 353 -4.589 -6.998 -2.252 1.00 0.00 O ATOM 586 CB THR A 353 -5.721 -4.931 -0.065 1.00 0.00 C ATOM 587 OG1 THR A 353 -6.563 -6.089 -0.079 1.00 0.00 O ATOM 588 CG2 THR A 353 -6.362 -3.828 -0.895 1.00 0.00 C ATOM 0 H THR A 353 -3.868 -3.255 -0.307 1.00 0.00 H new ATOM 0 HA THR A 353 -3.896 -6.067 0.054 1.00 0.00 H new ATOM 0 HB THR A 353 -5.612 -4.573 0.959 1.00 0.00 H new ATOM 0 HG1 THR A 353 -7.453 -5.850 0.254 1.00 0.00 H new ATOM 0 HG21 THR A 353 -7.354 -3.606 -0.502 1.00 0.00 H new ATOM 0 HG22 THR A 353 -5.744 -2.931 -0.848 1.00 0.00 H new ATOM 0 HG23 THR A 353 -6.447 -4.155 -1.931 1.00 0.00 H new ATOM 596 N CYS A 354 -4.168 -4.921 -2.996 1.00 0.00 N ATOM 597 CA CYS A 354 -4.198 -5.309 -4.400 1.00 0.00 C ATOM 598 C CYS A 354 -3.008 -6.192 -4.733 1.00 0.00 C ATOM 599 O CYS A 354 -3.125 -7.142 -5.499 1.00 0.00 O ATOM 600 CB CYS A 354 -4.185 -4.078 -5.306 1.00 0.00 C ATOM 601 SG CYS A 354 -5.592 -2.968 -5.084 1.00 0.00 S ATOM 0 H CYS A 354 -3.975 -3.933 -2.834 1.00 0.00 H new ATOM 0 HA CYS A 354 -5.120 -5.865 -4.572 1.00 0.00 H new ATOM 0 HB2 CYS A 354 -3.266 -3.520 -5.126 1.00 0.00 H new ATOM 0 HB3 CYS A 354 -4.159 -4.408 -6.345 1.00 0.00 H new ATOM 0 HG CYS A 354 -5.478 -1.956 -5.892 1.00 0.00 H new ATOM 606 N ALA A 355 -1.867 -5.872 -4.145 1.00 0.00 N ATOM 607 CA ALA A 355 -0.654 -6.632 -4.381 1.00 0.00 C ATOM 608 C ALA A 355 -0.797 -8.052 -3.859 1.00 0.00 C ATOM 609 O ALA A 355 -0.405 -9.013 -4.523 1.00 0.00 O ATOM 610 CB ALA A 355 0.535 -5.942 -3.734 1.00 0.00 C ATOM 0 H ALA A 355 -1.757 -5.090 -3.500 1.00 0.00 H new ATOM 0 HA ALA A 355 -0.484 -6.682 -5.456 1.00 0.00 H new ATOM 0 HB1 ALA A 355 1.438 -6.523 -3.919 1.00 0.00 H new ATOM 0 HB2 ALA A 355 0.652 -4.945 -4.158 1.00 0.00 H new ATOM 0 HB3 ALA A 355 0.369 -5.862 -2.660 1.00 0.00 H new ATOM 616 N GLN A 356 -1.376 -8.175 -2.674 1.00 0.00 N ATOM 617 CA GLN A 356 -1.614 -9.477 -2.071 1.00 0.00 C ATOM 618 C GLN A 356 -2.664 -10.248 -2.858 1.00 0.00 C ATOM 619 O GLN A 356 -2.570 -11.465 -3.022 1.00 0.00 O ATOM 620 CB GLN A 356 -2.069 -9.304 -0.621 1.00 0.00 C ATOM 621 CG GLN A 356 -1.029 -8.637 0.263 1.00 0.00 C ATOM 622 CD GLN A 356 -1.544 -8.374 1.666 1.00 0.00 C ATOM 623 OE1 GLN A 356 -2.403 -9.095 2.171 1.00 0.00 O ATOM 624 NE2 GLN A 356 -1.019 -7.341 2.305 1.00 0.00 N ATOM 0 H GLN A 356 -1.691 -7.386 -2.110 1.00 0.00 H new ATOM 0 HA GLN A 356 -0.683 -10.044 -2.089 1.00 0.00 H new ATOM 0 HB2 GLN A 356 -2.984 -8.711 -0.603 1.00 0.00 H new ATOM 0 HB3 GLN A 356 -2.314 -10.282 -0.206 1.00 0.00 H new ATOM 0 HG2 GLN A 356 -0.143 -9.269 0.317 1.00 0.00 H new ATOM 0 HG3 GLN A 356 -0.721 -7.695 -0.191 1.00 0.00 H new ATOM 0 HE21 GLN A 356 -0.308 -6.768 1.850 1.00 0.00 H new ATOM 0 HE22 GLN A 356 -1.325 -7.118 3.252 1.00 0.00 H new ATOM 633 N LYS A 357 -3.656 -9.529 -3.366 1.00 0.00 N ATOM 634 CA LYS A 357 -4.763 -10.155 -4.072 1.00 0.00 C ATOM 635 C LYS A 357 -4.355 -10.564 -5.486 1.00 0.00 C ATOM 636 O LYS A 357 -4.859 -11.549 -6.024 1.00 0.00 O ATOM 637 CB LYS A 357 -5.958 -9.199 -4.121 1.00 0.00 C ATOM 638 CG LYS A 357 -7.308 -9.897 -4.075 1.00 0.00 C ATOM 639 CD LYS A 357 -7.467 -10.724 -2.807 1.00 0.00 C ATOM 640 CE LYS A 357 -7.303 -9.875 -1.549 1.00 0.00 C ATOM 641 NZ LYS A 357 -7.432 -10.681 -0.303 1.00 0.00 N ATOM 0 H LYS A 357 -3.716 -8.513 -3.302 1.00 0.00 H new ATOM 0 HA LYS A 357 -5.047 -11.057 -3.530 1.00 0.00 H new ATOM 0 HB2 LYS A 357 -5.890 -8.505 -3.283 1.00 0.00 H new ATOM 0 HB3 LYS A 357 -5.898 -8.605 -5.033 1.00 0.00 H new ATOM 0 HG2 LYS A 357 -8.104 -9.155 -4.128 1.00 0.00 H new ATOM 0 HG3 LYS A 357 -7.415 -10.542 -4.947 1.00 0.00 H new ATOM 0 HD2 LYS A 357 -8.450 -11.195 -2.802 1.00 0.00 H new ATOM 0 HD3 LYS A 357 -6.729 -11.526 -2.802 1.00 0.00 H new ATOM 0 HE2 LYS A 357 -6.327 -9.389 -1.566 1.00 0.00 H new ATOM 0 HE3 LYS A 357 -8.053 -9.084 -1.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 357 -7.313 -10.062 0.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 357 -8.372 -11.124 -0.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 357 -6.700 -11.420 -0.290 1.00 0.00 H new ATOM 655 N ALA A 358 -3.447 -9.805 -6.085 1.00 0.00 N ATOM 656 CA ALA A 358 -2.963 -10.120 -7.424 1.00 0.00 C ATOM 657 C ALA A 358 -1.849 -11.155 -7.367 1.00 0.00 C ATOM 658 O ALA A 358 -1.742 -12.014 -8.242 1.00 0.00 O ATOM 659 CB ALA A 358 -2.481 -8.863 -8.131 1.00 0.00 C ATOM 0 H ALA A 358 -3.032 -8.971 -5.669 1.00 0.00 H new ATOM 0 HA ALA A 358 -3.793 -10.540 -7.992 1.00 0.00 H new ATOM 0 HB1 ALA A 358 -2.124 -9.121 -9.128 1.00 0.00 H new ATOM 0 HB2 ALA A 358 -3.304 -8.153 -8.212 1.00 0.00 H new ATOM 0 HB3 ALA A 358 -1.669 -8.413 -7.560 1.00 0.00 H new ATOM 665 N GLY A 359 -1.027 -11.075 -6.328 1.00 0.00 N ATOM 666 CA GLY A 359 0.092 -11.984 -6.194 1.00 0.00 C ATOM 667 C GLY A 359 1.252 -11.576 -7.074 1.00 0.00 C ATOM 668 O GLY A 359 1.802 -12.394 -7.812 1.00 0.00 O ATOM 0 H GLY A 359 -1.117 -10.394 -5.574 1.00 0.00 H new ATOM 0 HA2 GLY A 359 0.416 -12.011 -5.154 1.00 0.00 H new ATOM 0 HA3 GLY A 359 -0.226 -12.993 -6.455 1.00 0.00 H new ATOM 672 N LEU A 360 1.613 -10.302 -7.008 1.00 0.00 N ATOM 673 CA LEU A 360 2.699 -9.772 -7.821 1.00 0.00 C ATOM 674 C LEU A 360 4.037 -9.895 -7.095 1.00 0.00 C ATOM 675 O LEU A 360 4.124 -10.531 -6.042 1.00 0.00 O ATOM 676 CB LEU A 360 2.407 -8.317 -8.223 1.00 0.00 C ATOM 677 CG LEU A 360 1.947 -7.383 -7.093 1.00 0.00 C ATOM 678 CD1 LEU A 360 3.118 -6.946 -6.222 1.00 0.00 C ATOM 679 CD2 LEU A 360 1.224 -6.174 -7.671 1.00 0.00 C ATOM 0 H LEU A 360 1.169 -9.615 -6.399 1.00 0.00 H new ATOM 0 HA LEU A 360 2.769 -10.365 -8.733 1.00 0.00 H new ATOM 0 HB2 LEU A 360 3.308 -7.897 -8.670 1.00 0.00 H new ATOM 0 HB3 LEU A 360 1.640 -8.322 -8.997 1.00 0.00 H new ATOM 0 HG LEU A 360 1.254 -7.935 -6.458 1.00 0.00 H new ATOM 0 HD11 LEU A 360 2.758 -6.286 -5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 360 3.587 -7.823 -5.776 1.00 0.00 H new ATOM 0 HD13 LEU A 360 3.848 -6.415 -6.833 1.00 0.00 H new ATOM 0 HD21 LEU A 360 0.903 -5.520 -6.860 1.00 0.00 H new ATOM 0 HD22 LEU A 360 1.898 -5.629 -8.332 1.00 0.00 H new ATOM 0 HD23 LEU A 360 0.353 -6.507 -8.235 1.00 0.00 H new ATOM 691 N TYR A 361 5.079 -9.298 -7.655 1.00 0.00 N ATOM 692 CA TYR A 361 6.408 -9.400 -7.073 1.00 0.00 C ATOM 693 C TYR A 361 6.584 -8.391 -5.943 1.00 0.00 C ATOM 694 O TYR A 361 6.631 -7.181 -6.170 1.00 0.00 O ATOM 695 CB TYR A 361 7.486 -9.186 -8.142 1.00 0.00 C ATOM 696 CG TYR A 361 8.896 -9.360 -7.620 1.00 0.00 C ATOM 697 CD1 TYR A 361 9.580 -8.294 -7.052 1.00 0.00 C ATOM 698 CD2 TYR A 361 9.536 -10.590 -7.689 1.00 0.00 C ATOM 699 CE1 TYR A 361 10.864 -8.448 -6.569 1.00 0.00 C ATOM 700 CE2 TYR A 361 10.821 -10.754 -7.206 1.00 0.00 C ATOM 701 CZ TYR A 361 11.480 -9.681 -6.647 1.00 0.00 C ATOM 702 OH TYR A 361 12.757 -9.841 -6.161 1.00 0.00 O ATOM 0 H TYR A 361 5.030 -8.740 -8.508 1.00 0.00 H new ATOM 0 HA TYR A 361 6.518 -10.404 -6.662 1.00 0.00 H new ATOM 0 HB2 TYR A 361 7.320 -9.888 -8.959 1.00 0.00 H new ATOM 0 HB3 TYR A 361 7.382 -8.183 -8.557 1.00 0.00 H new ATOM 0 HD1 TYR A 361 9.100 -7.329 -6.987 1.00 0.00 H new ATOM 0 HD2 TYR A 361 9.022 -11.433 -8.127 1.00 0.00 H new ATOM 0 HE1 TYR A 361 11.384 -7.608 -6.132 1.00 0.00 H new ATOM 0 HE2 TYR A 361 11.305 -11.717 -7.267 1.00 0.00 H new ATOM 0 HH TYR A 361 13.043 -10.769 -6.292 1.00 0.00 H new ATOM 712 N MET A 362 6.671 -8.900 -4.726 1.00 0.00 N ATOM 713 CA MET A 362 6.909 -8.063 -3.562 1.00 0.00 C ATOM 714 C MET A 362 8.153 -8.531 -2.824 1.00 0.00 C ATOM 715 O MET A 362 8.174 -9.623 -2.260 1.00 0.00 O ATOM 716 CB MET A 362 5.707 -8.091 -2.617 1.00 0.00 C ATOM 717 CG MET A 362 4.995 -6.755 -2.497 1.00 0.00 C ATOM 718 SD MET A 362 3.686 -6.771 -1.255 1.00 0.00 S ATOM 719 CE MET A 362 3.120 -5.074 -1.345 1.00 0.00 C ATOM 0 H MET A 362 6.580 -9.894 -4.518 1.00 0.00 H new ATOM 0 HA MET A 362 7.058 -7.039 -3.905 1.00 0.00 H new ATOM 0 HB2 MET A 362 4.998 -8.841 -2.967 1.00 0.00 H new ATOM 0 HB3 MET A 362 6.041 -8.405 -1.628 1.00 0.00 H new ATOM 0 HG2 MET A 362 5.721 -5.983 -2.243 1.00 0.00 H new ATOM 0 HG3 MET A 362 4.569 -6.487 -3.464 1.00 0.00 H new ATOM 0 HE1 MET A 362 2.273 -4.937 -0.672 1.00 0.00 H new ATOM 0 HE2 MET A 362 3.929 -4.405 -1.052 1.00 0.00 H new ATOM 0 HE3 MET A 362 2.813 -4.846 -2.366 1.00 0.00 H new ATOM 729 N LYS A 363 9.190 -7.712 -2.848 1.00 0.00 N ATOM 730 CA LYS A 363 10.414 -8.013 -2.127 1.00 0.00 C ATOM 731 C LYS A 363 10.313 -7.407 -0.734 1.00 0.00 C ATOM 732 O LYS A 363 9.648 -6.386 -0.548 1.00 0.00 O ATOM 733 CB LYS A 363 11.624 -7.453 -2.886 1.00 0.00 C ATOM 734 CG LYS A 363 12.925 -8.191 -2.608 1.00 0.00 C ATOM 735 CD LYS A 363 14.057 -7.667 -3.478 1.00 0.00 C ATOM 736 CE LYS A 363 15.257 -8.604 -3.461 1.00 0.00 C ATOM 737 NZ LYS A 363 15.907 -8.673 -2.129 1.00 0.00 N ATOM 0 H LYS A 363 9.208 -6.831 -3.361 1.00 0.00 H new ATOM 0 HA LYS A 363 10.548 -9.091 -2.042 1.00 0.00 H new ATOM 0 HB2 LYS A 363 11.418 -7.491 -3.956 1.00 0.00 H new ATOM 0 HB3 LYS A 363 11.751 -6.403 -2.623 1.00 0.00 H new ATOM 0 HG2 LYS A 363 13.191 -8.080 -1.557 1.00 0.00 H new ATOM 0 HG3 LYS A 363 12.787 -9.257 -2.791 1.00 0.00 H new ATOM 0 HD2 LYS A 363 13.704 -7.546 -4.502 1.00 0.00 H new ATOM 0 HD3 LYS A 363 14.360 -6.681 -3.127 1.00 0.00 H new ATOM 0 HE2 LYS A 363 14.938 -9.603 -3.758 1.00 0.00 H new ATOM 0 HE3 LYS A 363 15.985 -8.270 -4.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 16.652 -9.398 -2.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 16.327 -7.750 -1.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 15.198 -8.920 -1.409 1.00 0.00 H new ATOM 751 N MET A 364 10.961 -8.018 0.244 1.00 0.00 N ATOM 752 CA MET A 364 10.787 -7.627 1.632 1.00 0.00 C ATOM 753 C MET A 364 12.100 -7.818 2.352 1.00 0.00 C ATOM 754 O MET A 364 12.519 -8.941 2.637 1.00 0.00 O ATOM 755 CB MET A 364 9.677 -8.444 2.309 1.00 0.00 C ATOM 756 CG MET A 364 8.334 -8.341 1.607 1.00 0.00 C ATOM 757 SD MET A 364 6.984 -9.077 2.543 1.00 0.00 S ATOM 758 CE MET A 364 5.658 -8.910 1.353 1.00 0.00 C ATOM 0 H MET A 364 11.614 -8.789 0.101 1.00 0.00 H new ATOM 0 HA MET A 364 10.486 -6.580 1.675 1.00 0.00 H new ATOM 0 HB2 MET A 364 9.979 -9.491 2.347 1.00 0.00 H new ATOM 0 HB3 MET A 364 9.566 -8.107 3.340 1.00 0.00 H new ATOM 0 HG2 MET A 364 8.108 -7.291 1.421 1.00 0.00 H new ATOM 0 HG3 MET A 364 8.401 -8.829 0.635 1.00 0.00 H new ATOM 0 HE1 MET A 364 4.700 -8.924 1.872 1.00 0.00 H new ATOM 0 HE2 MET A 364 5.767 -7.967 0.817 1.00 0.00 H new ATOM 0 HE3 MET A 364 5.699 -9.737 0.644 1.00 0.00 H new ATOM 768 N GLU A 365 12.748 -6.716 2.633 1.00 0.00 N ATOM 769 CA GLU A 365 14.091 -6.743 3.143 1.00 0.00 C ATOM 770 C GLU A 365 14.108 -6.387 4.621 1.00 0.00 C ATOM 771 O GLU A 365 13.626 -5.325 5.012 1.00 0.00 O ATOM 772 CB GLU A 365 14.924 -5.747 2.347 1.00 0.00 C ATOM 773 CG GLU A 365 14.937 -6.015 0.853 1.00 0.00 C ATOM 774 CD GLU A 365 15.430 -7.402 0.513 1.00 0.00 C ATOM 775 OE1 GLU A 365 16.652 -7.634 0.572 1.00 0.00 O ATOM 776 OE2 GLU A 365 14.599 -8.262 0.158 1.00 0.00 O ATOM 0 H GLU A 365 12.360 -5.780 2.515 1.00 0.00 H new ATOM 0 HA GLU A 365 14.507 -7.745 3.039 1.00 0.00 H new ATOM 0 HB2 GLU A 365 14.539 -4.743 2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 365 15.948 -5.765 2.719 1.00 0.00 H new ATOM 0 HG2 GLU A 365 13.930 -5.884 0.456 1.00 0.00 H new ATOM 0 HG3 GLU A 365 15.572 -5.278 0.361 1.00 0.00 H new ATOM 783 N PRO A 366 14.641 -7.272 5.468 1.00 0.00 N ATOM 784 CA PRO A 366 14.781 -7.015 6.885 1.00 0.00 C ATOM 785 C PRO A 366 16.189 -6.548 7.257 1.00 0.00 C ATOM 786 O PRO A 366 17.110 -7.356 7.402 1.00 0.00 O ATOM 787 CB PRO A 366 14.488 -8.388 7.487 1.00 0.00 C ATOM 788 CG PRO A 366 14.881 -9.384 6.429 1.00 0.00 C ATOM 789 CD PRO A 366 15.102 -8.622 5.138 1.00 0.00 C ATOM 0 HA PRO A 366 14.127 -6.218 7.239 1.00 0.00 H new ATOM 0 HB2 PRO A 366 15.057 -8.544 8.403 1.00 0.00 H new ATOM 0 HB3 PRO A 366 13.434 -8.486 7.746 1.00 0.00 H new ATOM 0 HG2 PRO A 366 15.788 -9.914 6.720 1.00 0.00 H new ATOM 0 HG3 PRO A 366 14.101 -10.134 6.301 1.00 0.00 H new ATOM 0 HD2 PRO A 366 16.150 -8.629 4.840 1.00 0.00 H new ATOM 0 HD3 PRO A 366 14.534 -9.052 4.313 1.00 0.00 H new ATOM 797 N VAL A 367 16.353 -5.244 7.396 1.00 0.00 N ATOM 798 CA VAL A 367 17.645 -4.673 7.757 1.00 0.00 C ATOM 799 C VAL A 367 17.683 -4.336 9.242 1.00 0.00 C ATOM 800 O VAL A 367 16.653 -4.041 9.851 1.00 0.00 O ATOM 801 CB VAL A 367 17.975 -3.413 6.929 1.00 0.00 C ATOM 802 CG1 VAL A 367 18.423 -3.790 5.525 1.00 0.00 C ATOM 803 CG2 VAL A 367 16.780 -2.484 6.868 1.00 0.00 C ATOM 0 H VAL A 367 15.610 -4.558 7.265 1.00 0.00 H new ATOM 0 HA VAL A 367 18.400 -5.427 7.534 1.00 0.00 H new ATOM 0 HB VAL A 367 18.795 -2.891 7.423 1.00 0.00 H new ATOM 0 HG11 VAL A 367 18.650 -2.886 4.960 1.00 0.00 H new ATOM 0 HG12 VAL A 367 19.314 -4.415 5.583 1.00 0.00 H new ATOM 0 HG13 VAL A 367 17.626 -4.340 5.024 1.00 0.00 H new ATOM 0 HG21 VAL A 367 17.034 -1.602 6.280 1.00 0.00 H new ATOM 0 HG22 VAL A 367 15.941 -3.001 6.403 1.00 0.00 H new ATOM 0 HG23 VAL A 367 16.504 -2.179 7.878 1.00 0.00 H new ATOM 813 N LYS A 368 18.870 -4.408 9.827 1.00 0.00 N ATOM 814 CA LYS A 368 19.020 -4.152 11.246 1.00 0.00 C ATOM 815 C LYS A 368 20.045 -3.051 11.502 1.00 0.00 C ATOM 816 O LYS A 368 21.224 -3.178 11.164 1.00 0.00 O ATOM 817 CB LYS A 368 19.409 -5.433 11.987 1.00 0.00 C ATOM 818 CG LYS A 368 19.547 -5.243 13.487 1.00 0.00 C ATOM 819 CD LYS A 368 19.728 -6.570 14.208 1.00 0.00 C ATOM 820 CE LYS A 368 18.419 -7.348 14.282 1.00 0.00 C ATOM 821 NZ LYS A 368 18.593 -8.665 14.952 1.00 0.00 N ATOM 0 H LYS A 368 19.737 -4.640 9.342 1.00 0.00 H new ATOM 0 HA LYS A 368 18.058 -3.810 11.628 1.00 0.00 H new ATOM 0 HB2 LYS A 368 18.658 -6.199 11.793 1.00 0.00 H new ATOM 0 HB3 LYS A 368 20.353 -5.803 11.587 1.00 0.00 H new ATOM 0 HG2 LYS A 368 20.400 -4.597 13.695 1.00 0.00 H new ATOM 0 HG3 LYS A 368 18.662 -4.737 13.873 1.00 0.00 H new ATOM 0 HD2 LYS A 368 20.479 -7.167 13.690 1.00 0.00 H new ATOM 0 HD3 LYS A 368 20.103 -6.390 15.215 1.00 0.00 H new ATOM 0 HE2 LYS A 368 17.678 -6.760 14.824 1.00 0.00 H new ATOM 0 HE3 LYS A 368 18.031 -7.501 13.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 368 17.680 -9.162 14.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 368 19.281 -9.236 14.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 368 18.939 -8.518 15.922 1.00 0.00 H new ATOM 835 N GLU A 369 19.564 -1.971 12.088 1.00 0.00 N ATOM 836 CA GLU A 369 20.393 -0.846 12.481 1.00 0.00 C ATOM 837 C GLU A 369 20.661 -0.920 13.982 1.00 0.00 C ATOM 838 O GLU A 369 20.212 -1.846 14.647 1.00 0.00 O ATOM 839 CB GLU A 369 19.746 0.497 12.117 1.00 0.00 C ATOM 840 CG GLU A 369 19.698 0.796 10.622 1.00 0.00 C ATOM 841 CD GLU A 369 18.715 -0.077 9.868 1.00 0.00 C ATOM 842 OE1 GLU A 369 17.494 0.138 10.014 1.00 0.00 O ATOM 843 OE2 GLU A 369 19.163 -0.962 9.112 1.00 0.00 O ATOM 0 H GLU A 369 18.575 -1.848 12.307 1.00 0.00 H new ATOM 0 HA GLU A 369 21.334 -0.906 11.934 1.00 0.00 H new ATOM 0 HB2 GLU A 369 18.729 0.514 12.510 1.00 0.00 H new ATOM 0 HB3 GLU A 369 20.294 1.296 12.616 1.00 0.00 H new ATOM 0 HG2 GLU A 369 19.430 1.842 10.476 1.00 0.00 H new ATOM 0 HG3 GLU A 369 20.693 0.660 10.199 1.00 0.00 H new ATOM 850 N LEU A 370 21.433 0.021 14.492 1.00 0.00 N ATOM 851 CA LEU A 370 21.859 0.035 15.867 1.00 0.00 C ATOM 852 C LEU A 370 21.580 1.405 16.482 1.00 0.00 C ATOM 853 O LEU A 370 22.185 1.784 17.489 1.00 0.00 O ATOM 854 CB LEU A 370 23.354 -0.257 15.944 1.00 0.00 C ATOM 855 CG LEU A 370 24.213 0.240 14.770 1.00 0.00 C ATOM 856 CD1 LEU A 370 25.630 0.535 15.244 1.00 0.00 C ATOM 857 CD2 LEU A 370 24.253 -0.789 13.645 1.00 0.00 C ATOM 0 H LEU A 370 21.785 0.809 13.947 1.00 0.00 H new ATOM 0 HA LEU A 370 21.309 -0.728 16.418 1.00 0.00 H new ATOM 0 HB2 LEU A 370 23.741 0.187 16.861 1.00 0.00 H new ATOM 0 HB3 LEU A 370 23.487 -1.335 16.031 1.00 0.00 H new ATOM 0 HG LEU A 370 23.761 1.155 14.386 1.00 0.00 H new ATOM 0 HD11 LEU A 370 26.229 0.886 14.404 1.00 0.00 H new ATOM 0 HD12 LEU A 370 25.603 1.303 16.017 1.00 0.00 H new ATOM 0 HD13 LEU A 370 26.074 -0.373 15.651 1.00 0.00 H new ATOM 0 HD21 LEU A 370 24.867 -0.411 12.828 1.00 0.00 H new ATOM 0 HD22 LEU A 370 24.679 -1.720 14.019 1.00 0.00 H new ATOM 0 HD23 LEU A 370 23.241 -0.972 13.283 1.00 0.00 H new ATOM 869 N THR A 371 20.662 2.135 15.863 1.00 0.00 N ATOM 870 CA THR A 371 20.358 3.505 16.254 1.00 0.00 C ATOM 871 C THR A 371 19.805 3.577 17.679 1.00 0.00 C ATOM 872 O THR A 371 18.834 2.903 18.014 1.00 0.00 O ATOM 873 CB THR A 371 19.337 4.117 15.276 1.00 0.00 C ATOM 874 OG1 THR A 371 19.706 3.786 13.929 1.00 0.00 O ATOM 875 CG2 THR A 371 19.274 5.631 15.427 1.00 0.00 C ATOM 0 H THR A 371 20.108 1.795 15.077 1.00 0.00 H new ATOM 0 HA THR A 371 21.289 4.071 16.222 1.00 0.00 H new ATOM 0 HB THR A 371 18.353 3.707 15.505 1.00 0.00 H new ATOM 0 HG1 THR A 371 19.056 4.174 13.307 1.00 0.00 H new ATOM 0 HG21 THR A 371 18.546 6.037 14.725 1.00 0.00 H new ATOM 0 HG22 THR A 371 18.976 5.883 16.445 1.00 0.00 H new ATOM 0 HG23 THR A 371 20.255 6.058 15.220 1.00 0.00 H new ATOM 883 N GLY A 372 20.438 4.395 18.513 1.00 0.00 N ATOM 884 CA GLY A 372 19.969 4.571 19.874 1.00 0.00 C ATOM 885 C GLY A 372 20.624 3.614 20.848 1.00 0.00 C ATOM 886 O GLY A 372 20.234 3.536 22.013 1.00 0.00 O ATOM 0 H GLY A 372 21.266 4.938 18.271 1.00 0.00 H new ATOM 0 HA2 GLY A 372 20.164 5.595 20.191 1.00 0.00 H new ATOM 0 HA3 GLY A 372 18.889 4.429 19.903 1.00 0.00 H new ATOM 890 N GLY A 373 21.611 2.870 20.369 1.00 0.00 N ATOM 891 CA GLY A 373 22.323 1.946 21.228 1.00 0.00 C ATOM 892 C GLY A 373 21.774 0.541 21.119 1.00 0.00 C ATOM 893 O GLY A 373 22.475 -0.438 21.387 1.00 0.00 O ATOM 0 H GLY A 373 21.931 2.890 19.401 1.00 0.00 H new ATOM 0 HA2 GLY A 373 23.380 1.945 20.963 1.00 0.00 H new ATOM 0 HA3 GLY A 373 22.254 2.284 22.262 1.00 0.00 H new ATOM 897 N GLY A 374 20.513 0.445 20.730 1.00 0.00 N ATOM 898 CA GLY A 374 19.886 -0.842 20.545 1.00 0.00 C ATOM 899 C GLY A 374 19.669 -1.136 19.083 1.00 0.00 C ATOM 900 O GLY A 374 19.530 -0.218 18.278 1.00 0.00 O ATOM 0 H GLY A 374 19.909 1.244 20.538 1.00 0.00 H new ATOM 0 HA2 GLY A 374 20.509 -1.620 20.987 1.00 0.00 H new ATOM 0 HA3 GLY A 374 18.930 -0.863 21.069 1.00 0.00 H new ATOM 904 N THR A 375 19.653 -2.406 18.731 1.00 0.00 N ATOM 905 CA THR A 375 19.440 -2.800 17.355 1.00 0.00 C ATOM 906 C THR A 375 18.024 -2.456 16.913 1.00 0.00 C ATOM 907 O THR A 375 17.054 -2.822 17.582 1.00 0.00 O ATOM 908 CB THR A 375 19.695 -4.303 17.174 1.00 0.00 C ATOM 909 OG1 THR A 375 18.994 -5.036 18.187 1.00 0.00 O ATOM 910 CG2 THR A 375 21.184 -4.614 17.250 1.00 0.00 C ATOM 0 H THR A 375 19.785 -3.182 19.380 1.00 0.00 H new ATOM 0 HA THR A 375 20.146 -2.249 16.733 1.00 0.00 H new ATOM 0 HB THR A 375 19.332 -4.600 16.190 1.00 0.00 H new ATOM 0 HG1 THR A 375 18.112 -4.633 18.331 1.00 0.00 H new ATOM 0 HG21 THR A 375 21.339 -5.685 17.119 1.00 0.00 H new ATOM 0 HG22 THR A 375 21.709 -4.072 16.464 1.00 0.00 H new ATOM 0 HG23 THR A 375 21.571 -4.308 18.222 1.00 0.00 H new ATOM 918 N THR A 376 17.901 -1.763 15.792 1.00 0.00 N ATOM 919 CA THR A 376 16.627 -1.374 15.296 1.00 0.00 C ATOM 920 C THR A 376 16.344 -2.164 14.054 1.00 0.00 C ATOM 921 O THR A 376 17.075 -2.126 13.069 1.00 0.00 O ATOM 922 CB THR A 376 16.566 0.133 14.986 1.00 0.00 C ATOM 923 OG1 THR A 376 17.370 0.447 13.845 1.00 0.00 O ATOM 924 CG2 THR A 376 17.073 0.916 16.172 1.00 0.00 C ATOM 0 H THR A 376 18.688 -1.464 15.216 1.00 0.00 H new ATOM 0 HA THR A 376 15.877 -1.574 16.061 1.00 0.00 H new ATOM 0 HB THR A 376 15.530 0.399 14.776 1.00 0.00 H new ATOM 0 HG1 THR A 376 17.345 -0.300 13.212 1.00 0.00 H new ATOM 0 HG21 THR A 376 17.029 1.982 15.950 1.00 0.00 H new ATOM 0 HG22 THR A 376 16.453 0.701 17.042 1.00 0.00 H new ATOM 0 HG23 THR A 376 18.104 0.632 16.382 1.00 0.00 H new ATOM 932 N PHE A 377 15.290 -2.883 14.140 1.00 0.00 N ATOM 933 CA PHE A 377 14.800 -3.668 13.054 1.00 0.00 C ATOM 934 C PHE A 377 13.938 -2.823 12.125 1.00 0.00 C ATOM 935 O PHE A 377 12.940 -2.231 12.541 1.00 0.00 O ATOM 936 CB PHE A 377 14.038 -4.872 13.608 1.00 0.00 C ATOM 937 CG PHE A 377 12.791 -4.551 14.392 1.00 0.00 C ATOM 938 CD1 PHE A 377 12.866 -4.131 15.711 1.00 0.00 C ATOM 939 CD2 PHE A 377 11.539 -4.695 13.810 1.00 0.00 C ATOM 940 CE1 PHE A 377 11.719 -3.858 16.430 1.00 0.00 C ATOM 941 CE2 PHE A 377 10.390 -4.422 14.525 1.00 0.00 C ATOM 942 CZ PHE A 377 10.479 -4.003 15.837 1.00 0.00 C ATOM 0 H PHE A 377 14.724 -2.949 14.986 1.00 0.00 H new ATOM 0 HA PHE A 377 15.636 -4.036 12.459 1.00 0.00 H new ATOM 0 HB2 PHE A 377 13.765 -5.521 12.776 1.00 0.00 H new ATOM 0 HB3 PHE A 377 14.711 -5.442 14.248 1.00 0.00 H new ATOM 0 HD1 PHE A 377 13.831 -4.016 16.181 1.00 0.00 H new ATOM 0 HD2 PHE A 377 11.463 -5.025 12.784 1.00 0.00 H new ATOM 0 HE1 PHE A 377 11.791 -3.531 17.457 1.00 0.00 H new ATOM 0 HE2 PHE A 377 9.423 -4.536 14.058 1.00 0.00 H new ATOM 0 HZ PHE A 377 9.582 -3.789 16.399 1.00 0.00 H new ATOM 952 N SER A 378 14.354 -2.735 10.880 1.00 0.00 N ATOM 953 CA SER A 378 13.616 -1.990 9.883 1.00 0.00 C ATOM 954 C SER A 378 13.226 -2.905 8.731 1.00 0.00 C ATOM 955 O SER A 378 14.086 -3.489 8.070 1.00 0.00 O ATOM 956 CB SER A 378 14.459 -0.820 9.365 1.00 0.00 C ATOM 957 OG SER A 378 14.891 0.018 10.427 1.00 0.00 O ATOM 0 H SER A 378 15.206 -3.174 10.532 1.00 0.00 H new ATOM 0 HA SER A 378 12.710 -1.593 10.340 1.00 0.00 H new ATOM 0 HB2 SER A 378 15.326 -1.204 8.827 1.00 0.00 H new ATOM 0 HB3 SER A 378 13.875 -0.236 8.653 1.00 0.00 H new ATOM 0 HG SER A 378 15.868 -0.017 10.495 1.00 0.00 H new ATOM 963 N VAL A 379 11.935 -3.052 8.495 1.00 0.00 N ATOM 964 CA VAL A 379 11.475 -3.856 7.380 1.00 0.00 C ATOM 965 C VAL A 379 11.212 -2.962 6.189 1.00 0.00 C ATOM 966 O VAL A 379 10.517 -1.952 6.289 1.00 0.00 O ATOM 967 CB VAL A 379 10.193 -4.641 7.691 1.00 0.00 C ATOM 968 CG1 VAL A 379 10.016 -5.794 6.710 1.00 0.00 C ATOM 969 CG2 VAL A 379 10.186 -5.147 9.127 1.00 0.00 C ATOM 0 H VAL A 379 11.194 -2.630 9.054 1.00 0.00 H new ATOM 0 HA VAL A 379 12.263 -4.579 7.170 1.00 0.00 H new ATOM 0 HB VAL A 379 9.350 -3.960 7.577 1.00 0.00 H new ATOM 0 HG11 VAL A 379 9.102 -6.337 6.948 1.00 0.00 H new ATOM 0 HG12 VAL A 379 9.951 -5.402 5.695 1.00 0.00 H new ATOM 0 HG13 VAL A 379 10.869 -6.469 6.784 1.00 0.00 H new ATOM 0 HG21 VAL A 379 9.265 -5.698 9.314 1.00 0.00 H new ATOM 0 HG22 VAL A 379 11.041 -5.805 9.285 1.00 0.00 H new ATOM 0 HG23 VAL A 379 10.248 -4.301 9.811 1.00 0.00 H new ATOM 979 N ARG A 380 11.769 -3.346 5.072 1.00 0.00 N ATOM 980 CA ARG A 380 11.670 -2.566 3.852 1.00 0.00 C ATOM 981 C ARG A 380 10.991 -3.371 2.765 1.00 0.00 C ATOM 982 O ARG A 380 11.574 -4.309 2.227 1.00 0.00 O ATOM 983 CB ARG A 380 13.060 -2.149 3.369 1.00 0.00 C ATOM 984 CG ARG A 380 13.786 -1.198 4.297 1.00 0.00 C ATOM 985 CD ARG A 380 15.214 -0.982 3.829 1.00 0.00 C ATOM 986 NE ARG A 380 15.914 0.018 4.634 1.00 0.00 N ATOM 987 CZ ARG A 380 17.238 0.176 4.637 1.00 0.00 C ATOM 988 NH1 ARG A 380 17.997 -0.585 3.856 1.00 0.00 N ATOM 989 NH2 ARG A 380 17.802 1.091 5.418 1.00 0.00 N ATOM 0 H ARG A 380 12.306 -4.208 4.974 1.00 0.00 H new ATOM 0 HA ARG A 380 11.079 -1.676 4.068 1.00 0.00 H new ATOM 0 HB2 ARG A 380 13.669 -3.043 3.237 1.00 0.00 H new ATOM 0 HB3 ARG A 380 12.965 -1.680 2.390 1.00 0.00 H new ATOM 0 HG2 ARG A 380 13.261 -0.244 4.332 1.00 0.00 H new ATOM 0 HG3 ARG A 380 13.786 -1.599 5.310 1.00 0.00 H new ATOM 0 HD2 ARG A 380 15.756 -1.927 3.874 1.00 0.00 H new ATOM 0 HD3 ARG A 380 15.209 -0.667 2.785 1.00 0.00 H new ATOM 0 HE ARG A 380 15.356 0.631 5.229 1.00 0.00 H new ATOM 0 HH11 ARG A 380 17.567 -1.288 3.256 1.00 0.00 H new ATOM 0 HH12 ARG A 380 19.010 -0.466 3.857 1.00 0.00 H new ATOM 0 HH21 ARG A 380 17.222 1.676 6.019 1.00 0.00 H new ATOM 0 HH22 ARG A 380 18.815 1.208 5.417 1.00 0.00 H new ATOM 1003 N LYS A 381 9.760 -3.029 2.443 1.00 0.00 N ATOM 1004 CA LYS A 381 9.086 -3.694 1.348 1.00 0.00 C ATOM 1005 C LYS A 381 9.381 -2.980 0.045 1.00 0.00 C ATOM 1006 O LYS A 381 9.038 -1.811 -0.132 1.00 0.00 O ATOM 1007 CB LYS A 381 7.575 -3.766 1.559 1.00 0.00 C ATOM 1008 CG LYS A 381 7.140 -4.685 2.684 1.00 0.00 C ATOM 1009 CD LYS A 381 5.682 -5.074 2.508 1.00 0.00 C ATOM 1010 CE LYS A 381 5.059 -5.615 3.784 1.00 0.00 C ATOM 1011 NZ LYS A 381 5.833 -6.743 4.369 1.00 0.00 N ATOM 0 H LYS A 381 9.214 -2.308 2.914 1.00 0.00 H new ATOM 0 HA LYS A 381 9.466 -4.715 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 381 7.201 -2.762 1.762 1.00 0.00 H new ATOM 0 HB3 LYS A 381 7.107 -4.100 0.633 1.00 0.00 H new ATOM 0 HG2 LYS A 381 7.764 -5.579 2.695 1.00 0.00 H new ATOM 0 HG3 LYS A 381 7.278 -4.188 3.644 1.00 0.00 H new ATOM 0 HD2 LYS A 381 5.116 -4.204 2.173 1.00 0.00 H new ATOM 0 HD3 LYS A 381 5.604 -5.827 1.723 1.00 0.00 H new ATOM 0 HE2 LYS A 381 4.986 -4.811 4.517 1.00 0.00 H new ATOM 0 HE3 LYS A 381 4.043 -5.948 3.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 5.297 -7.161 5.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 5.998 -7.466 3.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 6.746 -6.392 4.721 1.00 0.00 H new ATOM 1025 N THR A 382 10.032 -3.685 -0.853 1.00 0.00 N ATOM 1026 CA THR A 382 10.295 -3.166 -2.175 1.00 0.00 C ATOM 1027 C THR A 382 9.382 -3.872 -3.163 1.00 0.00 C ATOM 1028 O THR A 382 9.558 -5.052 -3.451 1.00 0.00 O ATOM 1029 CB THR A 382 11.770 -3.367 -2.576 1.00 0.00 C ATOM 1030 OG1 THR A 382 12.622 -2.806 -1.569 1.00 0.00 O ATOM 1031 CG2 THR A 382 12.070 -2.716 -3.915 1.00 0.00 C ATOM 0 H THR A 382 10.391 -4.626 -0.689 1.00 0.00 H new ATOM 0 HA THR A 382 10.100 -2.094 -2.180 1.00 0.00 H new ATOM 0 HB THR A 382 11.956 -4.437 -2.667 1.00 0.00 H new ATOM 0 HG1 THR A 382 13.559 -2.936 -1.824 1.00 0.00 H new ATOM 0 HG21 THR A 382 13.118 -2.875 -4.170 1.00 0.00 H new ATOM 0 HG22 THR A 382 11.438 -3.159 -4.685 1.00 0.00 H new ATOM 0 HG23 THR A 382 11.870 -1.646 -3.852 1.00 0.00 H new ATOM 1039 N ALA A 383 8.402 -3.157 -3.670 1.00 0.00 N ATOM 1040 CA ALA A 383 7.404 -3.767 -4.518 1.00 0.00 C ATOM 1041 C ALA A 383 7.589 -3.354 -5.959 1.00 0.00 C ATOM 1042 O ALA A 383 8.050 -2.251 -6.251 1.00 0.00 O ATOM 1043 CB ALA A 383 6.007 -3.406 -4.044 1.00 0.00 C ATOM 0 H ALA A 383 8.276 -2.158 -3.511 1.00 0.00 H new ATOM 0 HA ALA A 383 7.527 -4.848 -4.454 1.00 0.00 H new ATOM 0 HB1 ALA A 383 5.269 -3.875 -4.695 1.00 0.00 H new ATOM 0 HB2 ALA A 383 5.866 -3.760 -3.023 1.00 0.00 H new ATOM 0 HB3 ALA A 383 5.881 -2.324 -4.073 1.00 0.00 H new ATOM 1049 N TYR A 384 7.252 -4.259 -6.851 1.00 0.00 N ATOM 1050 CA TYR A 384 7.244 -3.966 -8.262 1.00 0.00 C ATOM 1051 C TYR A 384 5.869 -4.284 -8.817 1.00 0.00 C ATOM 1052 O TYR A 384 5.205 -5.207 -8.350 1.00 0.00 O ATOM 1053 CB TYR A 384 8.336 -4.750 -8.994 1.00 0.00 C ATOM 1054 CG TYR A 384 9.739 -4.263 -8.680 1.00 0.00 C ATOM 1055 CD1 TYR A 384 10.242 -3.114 -9.274 1.00 0.00 C ATOM 1056 CD2 TYR A 384 10.555 -4.948 -7.788 1.00 0.00 C ATOM 1057 CE1 TYR A 384 11.514 -2.666 -8.993 1.00 0.00 C ATOM 1058 CE2 TYR A 384 11.830 -4.502 -7.501 1.00 0.00 C ATOM 1059 CZ TYR A 384 12.304 -3.359 -8.108 1.00 0.00 C ATOM 1060 OH TYR A 384 13.568 -2.902 -7.827 1.00 0.00 O ATOM 0 H TYR A 384 6.978 -5.213 -6.618 1.00 0.00 H new ATOM 0 HA TYR A 384 7.459 -2.909 -8.416 1.00 0.00 H new ATOM 0 HB2 TYR A 384 8.257 -5.804 -8.728 1.00 0.00 H new ATOM 0 HB3 TYR A 384 8.166 -4.679 -10.068 1.00 0.00 H new ATOM 0 HD1 TYR A 384 9.626 -2.562 -9.968 1.00 0.00 H new ATOM 0 HD2 TYR A 384 10.186 -5.844 -7.311 1.00 0.00 H new ATOM 0 HE1 TYR A 384 11.890 -1.772 -9.468 1.00 0.00 H new ATOM 0 HE2 TYR A 384 12.452 -5.046 -6.805 1.00 0.00 H new ATOM 0 HH TYR A 384 13.512 -2.006 -7.433 1.00 0.00 H new ATOM 1070 N CYS A 385 5.437 -3.504 -9.794 1.00 0.00 N ATOM 1071 CA CYS A 385 4.103 -3.666 -10.357 1.00 0.00 C ATOM 1072 C CYS A 385 3.948 -5.040 -10.996 1.00 0.00 C ATOM 1073 O CYS A 385 4.923 -5.631 -11.453 1.00 0.00 O ATOM 1074 CB CYS A 385 3.805 -2.557 -11.380 1.00 0.00 C ATOM 1075 SG CYS A 385 5.055 -2.368 -12.686 1.00 0.00 S ATOM 0 H CYS A 385 5.987 -2.754 -10.214 1.00 0.00 H new ATOM 0 HA CYS A 385 3.381 -3.585 -9.544 1.00 0.00 H new ATOM 0 HB2 CYS A 385 2.841 -2.762 -11.846 1.00 0.00 H new ATOM 0 HB3 CYS A 385 3.708 -1.610 -10.850 1.00 0.00 H new ATOM 0 HG CYS A 385 6.104 -1.773 -12.200 1.00 0.00 H new ATOM 1080 N ASP A 386 2.718 -5.542 -10.997 1.00 0.00 N ATOM 1081 CA ASP A 386 2.410 -6.872 -11.533 1.00 0.00 C ATOM 1082 C ASP A 386 3.048 -7.090 -12.908 1.00 0.00 C ATOM 1083 O ASP A 386 3.649 -8.130 -13.160 1.00 0.00 O ATOM 1084 CB ASP A 386 0.892 -7.061 -11.626 1.00 0.00 C ATOM 1085 CG ASP A 386 0.501 -8.485 -11.974 1.00 0.00 C ATOM 1086 OD1 ASP A 386 0.415 -8.807 -13.179 1.00 0.00 O ATOM 1087 OD2 ASP A 386 0.263 -9.287 -11.047 1.00 0.00 O ATOM 0 H ASP A 386 1.907 -5.045 -10.629 1.00 0.00 H new ATOM 0 HA ASP A 386 2.829 -7.611 -10.850 1.00 0.00 H new ATOM 0 HB2 ASP A 386 0.436 -6.785 -10.675 1.00 0.00 H new ATOM 0 HB3 ASP A 386 0.491 -6.384 -12.380 1.00 0.00 H new ATOM 1092 N VAL A 387 2.956 -6.084 -13.774 1.00 0.00 N ATOM 1093 CA VAL A 387 3.475 -6.191 -15.137 1.00 0.00 C ATOM 1094 C VAL A 387 4.934 -5.712 -15.219 1.00 0.00 C ATOM 1095 O VAL A 387 5.440 -5.354 -16.279 1.00 0.00 O ATOM 1096 CB VAL A 387 2.579 -5.397 -16.119 1.00 0.00 C ATOM 1097 CG1 VAL A 387 2.666 -3.900 -15.855 1.00 0.00 C ATOM 1098 CG2 VAL A 387 2.903 -5.725 -17.570 1.00 0.00 C ATOM 0 H VAL A 387 2.527 -5.184 -13.557 1.00 0.00 H new ATOM 0 HA VAL A 387 3.457 -7.243 -15.423 1.00 0.00 H new ATOM 0 HB VAL A 387 1.549 -5.707 -15.942 1.00 0.00 H new ATOM 0 HG11 VAL A 387 2.026 -3.368 -16.560 1.00 0.00 H new ATOM 0 HG12 VAL A 387 2.337 -3.690 -14.837 1.00 0.00 H new ATOM 0 HG13 VAL A 387 3.697 -3.568 -15.979 1.00 0.00 H new ATOM 0 HG21 VAL A 387 2.253 -5.148 -18.227 1.00 0.00 H new ATOM 0 HG22 VAL A 387 3.943 -5.474 -17.776 1.00 0.00 H new ATOM 0 HG23 VAL A 387 2.745 -6.789 -17.747 1.00 0.00 H new ATOM 1108 N HIS A 388 5.622 -5.723 -14.090 1.00 0.00 N ATOM 1109 CA HIS A 388 7.037 -5.377 -14.071 1.00 0.00 C ATOM 1110 C HIS A 388 7.871 -6.624 -14.339 1.00 0.00 C ATOM 1111 O HIS A 388 9.027 -6.536 -14.752 1.00 0.00 O ATOM 1112 CB HIS A 388 7.426 -4.760 -12.721 1.00 0.00 C ATOM 1113 CG HIS A 388 8.730 -4.017 -12.720 1.00 0.00 C ATOM 1114 ND1 HIS A 388 8.815 -2.642 -12.525 1.00 0.00 N ATOM 1115 CD2 HIS A 388 10.008 -4.452 -12.853 1.00 0.00 C ATOM 1116 CE1 HIS A 388 10.094 -2.284 -12.540 1.00 0.00 C ATOM 1117 NE2 HIS A 388 10.827 -3.359 -12.735 1.00 0.00 N ATOM 0 H HIS A 388 5.230 -5.965 -13.180 1.00 0.00 H new ATOM 0 HA HIS A 388 7.229 -4.640 -14.850 1.00 0.00 H new ATOM 0 HB2 HIS A 388 6.635 -4.078 -12.408 1.00 0.00 H new ATOM 0 HB3 HIS A 388 7.476 -5.554 -11.976 1.00 0.00 H new ATOM 0 HD1 HIS A 388 8.024 -2.012 -12.392 1.00 0.00 H new ATOM 0 HD2 HIS A 388 10.322 -5.472 -13.021 1.00 0.00 H new ATOM 0 HE1 HIS A 388 10.469 -1.279 -12.413 1.00 0.00 H new ATOM 1125 N THR A 389 7.271 -7.785 -14.115 1.00 0.00 N ATOM 1126 CA THR A 389 7.980 -9.042 -14.276 1.00 0.00 C ATOM 1127 C THR A 389 7.634 -9.741 -15.602 1.00 0.00 C ATOM 1128 O THR A 389 8.534 -10.018 -16.391 1.00 0.00 O ATOM 1129 CB THR A 389 7.726 -9.993 -13.082 1.00 0.00 C ATOM 1130 OG1 THR A 389 7.827 -9.262 -11.849 1.00 0.00 O ATOM 1131 CG2 THR A 389 8.733 -11.128 -13.070 1.00 0.00 C ATOM 0 H THR A 389 6.299 -7.880 -13.822 1.00 0.00 H new ATOM 0 HA THR A 389 9.042 -8.796 -14.301 1.00 0.00 H new ATOM 0 HB THR A 389 6.725 -10.411 -13.187 1.00 0.00 H new ATOM 0 HG1 THR A 389 7.664 -9.867 -11.096 1.00 0.00 H new ATOM 0 HG21 THR A 389 8.533 -11.782 -12.222 1.00 0.00 H new ATOM 0 HG22 THR A 389 8.650 -11.698 -13.995 1.00 0.00 H new ATOM 0 HG23 THR A 389 9.740 -10.720 -12.984 1.00 0.00 H new ATOM 1139 N PRO A 390 6.344 -10.039 -15.894 1.00 0.00 N ATOM 1140 CA PRO A 390 5.948 -10.779 -17.085 1.00 0.00 C ATOM 1141 C PRO A 390 5.173 -9.978 -18.164 1.00 0.00 C ATOM 1142 O PRO A 390 4.139 -10.456 -18.634 1.00 0.00 O ATOM 1143 CB PRO A 390 5.006 -11.803 -16.443 1.00 0.00 C ATOM 1144 CG PRO A 390 4.386 -11.083 -15.269 1.00 0.00 C ATOM 1145 CD PRO A 390 5.155 -9.790 -15.089 1.00 0.00 C ATOM 0 HA PRO A 390 6.812 -11.144 -17.640 1.00 0.00 H new ATOM 0 HB2 PRO A 390 4.245 -12.135 -17.149 1.00 0.00 H new ATOM 0 HB3 PRO A 390 5.550 -12.690 -16.119 1.00 0.00 H new ATOM 0 HG2 PRO A 390 3.331 -10.882 -15.453 1.00 0.00 H new ATOM 0 HG3 PRO A 390 4.442 -11.694 -14.368 1.00 0.00 H new ATOM 0 HD2 PRO A 390 4.593 -8.927 -15.445 1.00 0.00 H new ATOM 0 HD3 PRO A 390 5.400 -9.602 -14.044 1.00 0.00 H new