USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 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 75 ASN :FLIP amide:sc= -0.461 F(o=-4!,f=-1.8) USER MOD Set 1.2: B 648 THR OG1 : rot -130:sc= -1.35 USER MOD Set 2.1: A 64 LYS NZ :NH3+ -119:sc= 1.16 (180deg=0) USER MOD Set 2.2: B 658 GLN : amide:sc= -2.44! C(o=-1.3!,f=-9.5!) USER MOD Set 3.1: A 25 MET CE :methyl 157:sc= -2.12 (180deg=-2.89!) USER MOD Set 3.2: B 663 MET CE :methyl 171:sc= -3.62 (180deg=-3.76) USER MOD Single : A 21 LYS NZ :NH3+ -149:sc= -0.0217 (180deg=-0.361) USER MOD Single : A 27 HIS : no HD1:sc= -0.875 X(o=-0.88,f=-0.38) USER MOD Single : A 28 THR OG1 : rot -120:sc= -0.6 USER MOD Single : A 31 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.25) USER MOD Single : A 52 GLN : amide:sc= -0.155 K(o=-0.16,f=-1.3!) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.181 F(o=-0.84,f=-0.18) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.0129 F(o=-0.52,f=-0.013) USER MOD Single : A 67 THR OG1 : rot 79:sc= 1.07 USER MOD Single : A 73 GLN :FLIP amide:sc= 0.908 F(o=0,f=0.91) USER MOD Single : B 622 TYR OH : rot 180:sc= 0 USER MOD Single : B 625 THR OG1 : rot 81:sc= 0.85 USER MOD Single : B 627 GLN : amide:sc=-0.000511 X(o=-0.00051,f=0) USER MOD Single : B 628 SER OG : rot 180:sc= 0 USER MOD Single : B 637 GLN : amide:sc= -4.73 K(o=-4.7,f=-5.4!) USER MOD Single : B 641 GLN : amide:sc= -0.425 K(o=-0.43,f=-1.3!) USER MOD Single : B 642 SER OG : rot 180:sc= 0 USER MOD Single : B 645 GLN : amide:sc= 0.302 X(o=0.3,f=0) USER MOD Single : B 651 THR OG1 : rot 180:sc= 0 USER MOD Single : B 652 TYR OH : rot 180:sc= 0 USER MOD Single : B 653 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : B 656 GLN : amide:sc= -0.647 X(o=-0.65,f=-0.78) USER MOD Single : B 660 ASN : amide:sc= -0.095 K(o=-0.095,f=-0.89) USER MOD Single : B 661 GLN : amide:sc= -0.0418 X(o=-0.042,f=-0.085) USER MOD Single : B 670 TYR OH : rot 180:sc= 0 USER MOD Single : B 671 HIS : no HD1:sc= -0.69 X(o=-0.69,f=-0.39) USER MOD Single : B 673 MET CE :methyl -149:sc= -0.185 (180deg=-1.07) USER MOD ----------------------------------------------------------------- ATOM 222 N ALA A 17 -6.890 -16.634 6.237 1.00 0.00 N ATOM 223 CA ALA A 17 -6.074 -15.673 6.969 1.00 0.00 C ATOM 224 C ALA A 17 -5.779 -14.442 6.118 1.00 0.00 C ATOM 225 O ALA A 17 -5.555 -13.352 6.643 1.00 0.00 O ATOM 226 CB ALA A 17 -4.776 -16.323 7.428 1.00 0.00 C ATOM 0 HA ALA A 17 -6.636 -15.350 7.846 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.177 -15.594 7.973 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.002 -17.167 8.080 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.218 -16.675 6.560 1.00 0.00 H new ATOM 232 N PHE A 18 -5.780 -14.625 4.802 1.00 0.00 N ATOM 233 CA PHE A 18 -5.511 -13.530 3.878 1.00 0.00 C ATOM 234 C PHE A 18 -6.598 -12.463 3.968 1.00 0.00 C ATOM 235 O PHE A 18 -6.308 -11.279 4.136 1.00 0.00 O ATOM 236 CB PHE A 18 -5.415 -14.056 2.444 1.00 0.00 C ATOM 237 CG PHE A 18 -4.595 -13.181 1.539 1.00 0.00 C ATOM 238 CD1 PHE A 18 -5.181 -12.129 0.854 1.00 0.00 C ATOM 239 CD2 PHE A 18 -3.238 -13.411 1.373 1.00 0.00 C ATOM 240 CE1 PHE A 18 -4.429 -11.324 0.019 1.00 0.00 C ATOM 241 CE2 PHE A 18 -2.482 -12.609 0.540 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.077 -11.563 -0.137 1.00 0.00 C ATOM 0 H PHE A 18 -5.964 -15.521 4.351 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.559 -13.079 4.157 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.981 -15.056 2.460 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.420 -14.151 2.032 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.237 -11.936 0.974 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.766 -14.227 1.901 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.898 -10.508 -0.511 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.426 -12.800 0.418 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.487 -10.933 -0.787 1.00 0.00 H new ATOM 251 N ALA A 19 -7.851 -12.892 3.855 1.00 0.00 N ATOM 252 CA ALA A 19 -8.982 -11.975 3.925 1.00 0.00 C ATOM 253 C ALA A 19 -8.912 -11.113 5.181 1.00 0.00 C ATOM 254 O ALA A 19 -9.241 -9.927 5.150 1.00 0.00 O ATOM 255 CB ALA A 19 -10.292 -12.749 3.885 1.00 0.00 C ATOM 0 H ALA A 19 -8.108 -13.869 3.715 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.937 -11.314 3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.128 -12.052 3.938 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.351 -13.317 2.956 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.336 -13.434 4.732 1.00 0.00 H new ATOM 261 N ALA A 20 -8.483 -11.716 6.284 1.00 0.00 N ATOM 262 CA ALA A 20 -8.369 -11.002 7.550 1.00 0.00 C ATOM 263 C ALA A 20 -7.402 -9.830 7.434 1.00 0.00 C ATOM 264 O ALA A 20 -7.651 -8.749 7.971 1.00 0.00 O ATOM 265 CB ALA A 20 -7.921 -11.951 8.652 1.00 0.00 C ATOM 0 H ALA A 20 -8.208 -12.697 6.327 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.352 -10.604 7.804 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.840 -11.405 9.592 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.651 -12.753 8.760 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.951 -12.376 8.394 1.00 0.00 H new ATOM 271 N LYS A 21 -6.296 -10.047 6.730 1.00 0.00 N ATOM 272 CA LYS A 21 -5.290 -9.008 6.543 1.00 0.00 C ATOM 273 C LYS A 21 -5.765 -7.966 5.536 1.00 0.00 C ATOM 274 O LYS A 21 -5.612 -6.765 5.751 1.00 0.00 O ATOM 275 CB LYS A 21 -3.972 -9.625 6.070 1.00 0.00 C ATOM 276 CG LYS A 21 -3.346 -10.570 7.082 1.00 0.00 C ATOM 277 CD LYS A 21 -2.020 -10.036 7.598 1.00 0.00 C ATOM 278 CE LYS A 21 -2.225 -8.964 8.657 1.00 0.00 C ATOM 279 NZ LYS A 21 -1.312 -9.151 9.819 1.00 0.00 N ATOM 0 H LYS A 21 -6.073 -10.934 6.279 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.130 -8.515 7.502 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.147 -10.166 5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.266 -8.826 5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.031 -10.715 7.918 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.192 -11.546 6.623 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.435 -10.855 8.016 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.445 -9.624 6.769 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.056 -7.981 8.217 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.259 -8.986 9.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.774 -8.804 10.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.090 -10.161 9.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.433 -8.619 9.659 1.00 0.00 H new ATOM 289 N ALA A 22 -6.344 -8.435 4.434 1.00 0.00 N ATOM 290 CA ALA A 22 -6.845 -7.544 3.396 1.00 0.00 C ATOM 291 C ALA A 22 -7.894 -6.586 3.953 1.00 0.00 C ATOM 292 O ALA A 22 -7.868 -5.390 3.669 1.00 0.00 O ATOM 293 CB ALA A 22 -7.423 -8.350 2.242 1.00 0.00 C ATOM 0 H ALA A 22 -6.477 -9.427 4.238 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.009 -6.950 3.027 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.794 -7.671 1.474 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.647 -8.988 1.819 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.243 -8.969 2.605 1.00 0.00 H new ATOM 299 N GLY A 23 -8.817 -7.123 4.745 1.00 0.00 N ATOM 300 CA GLY A 23 -9.862 -6.302 5.328 1.00 0.00 C ATOM 301 C GLY A 23 -9.312 -5.234 6.253 1.00 0.00 C ATOM 302 O GLY A 23 -9.917 -4.174 6.419 1.00 0.00 O ATOM 0 H GLY A 23 -8.860 -8.111 4.993 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.435 -5.828 4.531 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.553 -6.938 5.882 1.00 0.00 H new ATOM 306 N LEU A 24 -8.163 -5.512 6.858 1.00 0.00 N ATOM 307 CA LEU A 24 -7.531 -4.568 7.774 1.00 0.00 C ATOM 308 C LEU A 24 -6.818 -3.460 7.005 1.00 0.00 C ATOM 309 O LEU A 24 -6.641 -2.353 7.515 1.00 0.00 O ATOM 310 CB LEU A 24 -6.539 -5.295 8.682 1.00 0.00 C ATOM 311 CG LEU A 24 -6.139 -4.560 9.961 1.00 0.00 C ATOM 312 CD1 LEU A 24 -6.848 -5.158 11.166 1.00 0.00 C ATOM 313 CD2 LEU A 24 -4.630 -4.605 10.153 1.00 0.00 C ATOM 0 H LEU A 24 -7.649 -6.384 6.731 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.310 -4.116 8.388 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.969 -6.258 8.959 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.636 -5.502 8.108 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.443 -3.518 9.867 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.550 -4.621 12.067 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.926 -5.073 11.033 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.576 -6.209 11.263 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.364 -4.077 11.068 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.303 -5.642 10.225 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.141 -4.128 9.304 1.00 0.00 H new ATOM 324 N MET A 25 -6.414 -3.764 5.776 1.00 0.00 N ATOM 325 CA MET A 25 -5.723 -2.792 4.937 1.00 0.00 C ATOM 326 C MET A 25 -6.595 -1.563 4.698 1.00 0.00 C ATOM 327 O MET A 25 -6.210 -0.443 5.031 1.00 0.00 O ATOM 328 CB MET A 25 -5.335 -3.425 3.600 1.00 0.00 C ATOM 329 CG MET A 25 -4.728 -2.440 2.615 1.00 0.00 C ATOM 330 SD MET A 25 -3.060 -2.902 2.110 1.00 0.00 S ATOM 331 CE MET A 25 -2.145 -2.563 3.611 1.00 0.00 C ATOM 0 H MET A 25 -6.553 -4.675 5.339 1.00 0.00 H new ATOM 0 HA MET A 25 -4.818 -2.478 5.457 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.623 -4.230 3.782 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.219 -3.877 3.151 1.00 0.00 H new ATOM 0 HG2 MET A 25 -5.365 -2.374 1.733 1.00 0.00 H new ATOM 0 HG3 MET A 25 -4.705 -1.448 3.066 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.227 -3.151 3.618 1.00 0.00 H new ATOM 0 HE2 MET A 25 -1.897 -1.503 3.654 1.00 0.00 H new ATOM 0 HE3 MET A 25 -2.753 -2.829 4.476 1.00 0.00 H new ATOM 339 N ARG A 26 -7.771 -1.782 4.119 1.00 0.00 N ATOM 340 CA ARG A 26 -8.696 -0.692 3.834 1.00 0.00 C ATOM 341 C ARG A 26 -9.039 0.077 5.106 1.00 0.00 C ATOM 342 O ARG A 26 -9.386 1.257 5.057 1.00 0.00 O ATOM 343 CB ARG A 26 -9.975 -1.235 3.192 1.00 0.00 C ATOM 344 CG ARG A 26 -9.937 -1.247 1.673 1.00 0.00 C ATOM 345 CD ARG A 26 -10.855 -2.317 1.102 1.00 0.00 C ATOM 346 NE ARG A 26 -12.092 -1.749 0.571 1.00 0.00 N ATOM 347 CZ ARG A 26 -12.145 -0.992 -0.519 1.00 0.00 C ATOM 348 NH1 ARG A 26 -11.037 -0.714 -1.191 1.00 0.00 N ATOM 349 NH2 ARG A 26 -13.308 -0.512 -0.939 1.00 0.00 N ATOM 0 H ARG A 26 -8.105 -2.704 3.838 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.210 -0.009 3.138 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.149 -2.250 3.551 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.821 -0.631 3.521 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.234 -0.270 1.293 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.916 -1.423 1.335 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.335 -2.857 0.311 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.094 -3.043 1.879 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.963 -1.945 1.065 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.141 -1.082 -0.871 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.080 -0.132 -2.028 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.163 -0.724 -0.425 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.347 0.069 -1.776 1.00 0.00 H new ATOM 360 N HIS A 27 -8.941 -0.600 6.246 1.00 0.00 N ATOM 361 CA HIS A 27 -9.240 0.019 7.532 1.00 0.00 C ATOM 362 C HIS A 27 -8.174 1.046 7.902 1.00 0.00 C ATOM 363 O HIS A 27 -8.461 2.042 8.565 1.00 0.00 O ATOM 364 CB HIS A 27 -9.340 -1.047 8.624 1.00 0.00 C ATOM 365 CG HIS A 27 -9.801 -0.510 9.944 1.00 0.00 C ATOM 366 ND1 HIS A 27 -10.618 0.594 10.064 1.00 0.00 N ATOM 367 CD2 HIS A 27 -9.556 -0.934 11.206 1.00 0.00 C ATOM 368 CE1 HIS A 27 -10.853 0.828 11.342 1.00 0.00 C ATOM 369 NE2 HIS A 27 -10.221 -0.085 12.057 1.00 0.00 N ATOM 0 H HIS A 27 -8.657 -1.578 6.305 1.00 0.00 H new ATOM 0 HA HIS A 27 -10.198 0.532 7.447 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.028 -1.826 8.298 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.365 -1.517 8.753 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.951 -1.782 11.491 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.459 1.630 11.736 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.226 -0.149 13.075 1.00 0.00 H new ATOM 376 N THR A 28 -6.943 0.796 7.468 1.00 0.00 N ATOM 377 CA THR A 28 -5.834 1.697 7.755 1.00 0.00 C ATOM 378 C THR A 28 -5.996 3.020 7.016 1.00 0.00 C ATOM 379 O THR A 28 -5.759 4.089 7.579 1.00 0.00 O ATOM 380 CB THR A 28 -4.483 1.066 7.368 1.00 0.00 C ATOM 381 OG1 THR A 28 -4.456 -0.312 7.756 1.00 0.00 O ATOM 382 CG2 THR A 28 -3.330 1.808 8.028 1.00 0.00 C ATOM 0 H THR A 28 -6.689 -0.023 6.916 1.00 0.00 H new ATOM 0 HA THR A 28 -5.845 1.881 8.829 1.00 0.00 H new ATOM 0 HB THR A 28 -4.369 1.140 6.286 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.720 -0.460 8.386 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.387 1.344 7.740 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.336 2.849 7.706 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.441 1.763 9.111 1.00 0.00 H new ATOM 390 N ILE A 29 -6.399 2.941 5.753 1.00 0.00 N ATOM 391 CA ILE A 29 -6.594 4.134 4.937 1.00 0.00 C ATOM 392 C ILE A 29 -7.850 4.889 5.358 1.00 0.00 C ATOM 393 O ILE A 29 -7.816 6.099 5.573 1.00 0.00 O ATOM 394 CB ILE A 29 -6.698 3.782 3.442 1.00 0.00 C ATOM 395 CG1 ILE A 29 -5.401 3.130 2.957 1.00 0.00 C ATOM 396 CG2 ILE A 29 -7.006 5.028 2.624 1.00 0.00 C ATOM 397 CD1 ILE A 29 -5.363 1.632 3.170 1.00 0.00 C ATOM 0 H ILE A 29 -6.597 2.064 5.272 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.722 4.769 5.093 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.513 3.071 3.308 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.272 3.342 1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.558 3.585 3.478 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.076 4.763 1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.953 5.455 2.955 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.210 5.760 2.762 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.416 1.236 2.803 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.461 1.413 4.233 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.185 1.166 2.627 1.00 0.00 H new ATOM 408 N GLY A 30 -8.958 4.164 5.476 1.00 0.00 N ATOM 409 CA GLY A 30 -10.210 4.782 5.874 1.00 0.00 C ATOM 410 C GLY A 30 -10.086 5.567 7.164 1.00 0.00 C ATOM 411 O GLY A 30 -10.553 6.702 7.254 1.00 0.00 O ATOM 0 H GLY A 30 -9.011 3.160 5.303 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.552 5.446 5.080 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.970 4.010 5.994 1.00 0.00 H new ATOM 415 N GLN A 31 -9.455 4.961 8.165 1.00 0.00 N ATOM 416 CA GLN A 31 -9.273 5.611 9.457 1.00 0.00 C ATOM 417 C GLN A 31 -8.224 6.714 9.369 1.00 0.00 C ATOM 418 O GLN A 31 -8.326 7.737 10.046 1.00 0.00 O ATOM 419 CB GLN A 31 -8.862 4.585 10.515 1.00 0.00 C ATOM 420 CG GLN A 31 -10.041 3.923 11.210 1.00 0.00 C ATOM 421 CD GLN A 31 -10.923 4.917 11.937 1.00 0.00 C ATOM 422 OE1 GLN A 31 -10.480 5.599 12.862 1.00 0.00 O ATOM 423 NE2 GLN A 31 -12.182 5.006 11.523 1.00 0.00 N ATOM 0 H GLN A 31 -9.062 4.022 8.106 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.223 6.060 9.746 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.249 3.816 10.045 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.239 5.076 11.263 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.637 3.385 10.473 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.671 3.184 11.921 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.508 4.422 10.753 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.823 5.658 11.975 1.00 0.00 H new ATOM 430 N ALA A 32 -7.215 6.500 8.530 1.00 0.00 N ATOM 431 CA ALA A 32 -6.149 7.477 8.352 1.00 0.00 C ATOM 432 C ALA A 32 -6.683 8.765 7.734 1.00 0.00 C ATOM 433 O ALA A 32 -6.399 9.860 8.219 1.00 0.00 O ATOM 434 CB ALA A 32 -5.040 6.895 7.488 1.00 0.00 C ATOM 0 H ALA A 32 -7.114 5.658 7.963 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.742 7.718 9.334 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.250 7.635 7.363 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.632 6.006 7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.443 6.626 6.512 1.00 0.00 H new ATOM 440 N GLU A 33 -7.456 8.626 6.661 1.00 0.00 N ATOM 441 CA GLU A 33 -8.026 9.781 5.978 1.00 0.00 C ATOM 442 C GLU A 33 -8.931 10.575 6.914 1.00 0.00 C ATOM 443 O GLU A 33 -8.851 11.801 6.979 1.00 0.00 O ATOM 444 CB GLU A 33 -8.815 9.332 4.746 1.00 0.00 C ATOM 445 CG GLU A 33 -7.944 8.780 3.631 1.00 0.00 C ATOM 446 CD GLU A 33 -7.074 9.843 2.990 1.00 0.00 C ATOM 447 OE1 GLU A 33 -7.633 10.778 2.378 1.00 0.00 O ATOM 448 OE2 GLU A 33 -5.834 9.740 3.098 1.00 0.00 O ATOM 0 H GLU A 33 -7.701 7.727 6.247 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.206 10.426 5.662 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.534 8.569 5.044 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.387 10.178 4.364 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.310 7.988 4.029 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.579 8.327 2.869 1.00 0.00 H new ATOM 658 N PHE A 51 -3.308 20.482 -0.702 1.00 0.00 N ATOM 659 CA PHE A 51 -3.898 19.311 -0.062 1.00 0.00 C ATOM 660 C PHE A 51 -4.579 18.415 -1.092 1.00 0.00 C ATOM 661 O PHE A 51 -4.578 17.191 -0.960 1.00 0.00 O ATOM 662 CB PHE A 51 -4.907 19.741 1.005 1.00 0.00 C ATOM 663 CG PHE A 51 -5.695 18.598 1.578 1.00 0.00 C ATOM 664 CD1 PHE A 51 -6.874 18.183 0.979 1.00 0.00 C ATOM 665 CD2 PHE A 51 -5.257 17.939 2.716 1.00 0.00 C ATOM 666 CE1 PHE A 51 -7.602 17.131 1.505 1.00 0.00 C ATOM 667 CE2 PHE A 51 -5.981 16.886 3.244 1.00 0.00 C ATOM 668 CZ PHE A 51 -7.155 16.483 2.640 1.00 0.00 C ATOM 0 HA PHE A 51 -3.097 18.744 0.413 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.377 20.248 1.812 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.596 20.466 0.571 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -7.228 18.687 0.092 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.341 18.251 3.195 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.519 16.817 1.029 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.628 16.379 4.129 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.723 15.663 3.054 1.00 0.00 H new ATOM 677 N GLN A 52 -5.159 19.034 -2.116 1.00 0.00 N ATOM 678 CA GLN A 52 -5.845 18.292 -3.166 1.00 0.00 C ATOM 679 C GLN A 52 -4.871 17.395 -3.925 1.00 0.00 C ATOM 680 O GLN A 52 -5.089 16.191 -4.048 1.00 0.00 O ATOM 681 CB GLN A 52 -6.530 19.255 -4.136 1.00 0.00 C ATOM 682 CG GLN A 52 -7.048 18.584 -5.397 1.00 0.00 C ATOM 683 CD GLN A 52 -8.492 18.934 -5.694 1.00 0.00 C ATOM 684 OE1 GLN A 52 -9.007 19.949 -5.225 1.00 0.00 O ATOM 685 NE2 GLN A 52 -9.157 18.093 -6.479 1.00 0.00 N ATOM 0 H GLN A 52 -5.167 20.046 -2.240 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.600 17.662 -2.696 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.362 19.741 -3.626 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.825 20.039 -4.415 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.426 18.878 -6.242 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.954 17.503 -5.293 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.692 17.263 -6.847 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.132 18.278 -6.714 1.00 0.00 H new ATOM 692 N ALA A 53 -3.798 17.992 -4.430 1.00 0.00 N ATOM 693 CA ALA A 53 -2.789 17.247 -5.175 1.00 0.00 C ATOM 694 C ALA A 53 -2.321 16.025 -4.393 1.00 0.00 C ATOM 695 O ALA A 53 -2.281 14.915 -4.924 1.00 0.00 O ATOM 696 CB ALA A 53 -1.609 18.147 -5.509 1.00 0.00 C ATOM 0 H ALA A 53 -3.604 18.989 -4.338 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.241 16.900 -6.104 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.864 17.578 -6.065 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.951 18.986 -6.115 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.165 18.523 -4.587 1.00 0.00 H new ATOM 702 N ALA A 54 -1.967 16.236 -3.131 1.00 0.00 N ATOM 703 CA ALA A 54 -1.503 15.151 -2.276 1.00 0.00 C ATOM 704 C ALA A 54 -2.624 14.158 -1.990 1.00 0.00 C ATOM 705 O ALA A 54 -2.401 12.947 -1.955 1.00 0.00 O ATOM 706 CB ALA A 54 -0.943 15.706 -0.974 1.00 0.00 C ATOM 0 H ALA A 54 -1.993 17.149 -2.677 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.710 14.621 -2.804 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.600 14.884 -0.346 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.106 16.370 -1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.721 16.262 -0.451 1.00 0.00 H new ATOM 712 N HIS A 55 -3.830 14.677 -1.787 1.00 0.00 N ATOM 713 CA HIS A 55 -4.988 13.836 -1.505 1.00 0.00 C ATOM 714 C HIS A 55 -5.297 12.923 -2.688 1.00 0.00 C ATOM 715 O HIS A 55 -5.707 11.777 -2.510 1.00 0.00 O ATOM 716 CB HIS A 55 -6.207 14.700 -1.180 1.00 0.00 C ATOM 717 CG HIS A 55 -7.453 13.908 -0.930 1.00 0.00 C ATOM 718 ND1 HIS A 55 -8.243 13.211 -1.779 1.00 0.00 N flip ATOM 719 CD2 HIS A 55 -8.020 13.770 0.320 1.00 0.00 C flip ATOM 720 CE1 HIS A 55 -9.262 12.669 -1.035 1.00 0.00 C flip ATOM 721 NE2 HIS A 55 -9.104 13.021 0.228 1.00 0.00 N flip ATOM 0 H HIS A 55 -4.031 15.677 -1.812 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.753 13.215 -0.641 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.989 15.306 -0.300 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.384 15.389 -2.006 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -7.637 14.206 1.231 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.062 12.055 -1.420 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.715 12.759 1.001 1.00 0.00 H new ATOM 728 N ALA A 56 -5.099 13.441 -3.896 1.00 0.00 N ATOM 729 CA ALA A 56 -5.357 12.674 -5.108 1.00 0.00 C ATOM 730 C ALA A 56 -4.300 11.592 -5.307 1.00 0.00 C ATOM 731 O ALA A 56 -4.581 10.532 -5.866 1.00 0.00 O ATOM 732 CB ALA A 56 -5.405 13.596 -6.317 1.00 0.00 C ATOM 0 H ALA A 56 -4.761 14.389 -4.061 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.325 12.185 -5.000 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.598 13.009 -7.215 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.201 14.329 -6.184 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.450 14.112 -6.419 1.00 0.00 H new ATOM 738 N ARG A 57 -3.084 11.868 -4.847 1.00 0.00 N ATOM 739 CA ARG A 57 -1.984 10.920 -4.978 1.00 0.00 C ATOM 740 C ARG A 57 -2.265 9.649 -4.181 1.00 0.00 C ATOM 741 O ARG A 57 -1.983 8.542 -4.639 1.00 0.00 O ATOM 742 CB ARG A 57 -0.676 11.553 -4.500 1.00 0.00 C ATOM 743 CG ARG A 57 -0.063 12.514 -5.507 1.00 0.00 C ATOM 744 CD ARG A 57 1.022 13.369 -4.870 1.00 0.00 C ATOM 745 NE ARG A 57 1.987 13.851 -5.854 1.00 0.00 N ATOM 746 CZ ARG A 57 2.872 13.068 -6.461 1.00 0.00 C ATOM 747 NH1 ARG A 57 2.913 11.771 -6.184 1.00 0.00 N ATOM 748 NH2 ARG A 57 3.718 13.580 -7.345 1.00 0.00 N ATOM 0 H ARG A 57 -2.836 12.740 -4.380 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.889 10.656 -6.031 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.859 12.085 -3.567 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.042 10.763 -4.281 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.358 11.951 -6.340 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.841 13.158 -5.918 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.564 14.219 -4.365 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.541 12.788 -4.108 1.00 0.00 H new ATOM 0 HE ARG A 57 1.981 14.844 -6.088 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.264 11.374 -5.504 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.593 11.171 -6.651 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.690 14.577 -7.560 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.397 12.977 -7.810 1.00 0.00 H new ATOM 759 N PHE A 58 -2.825 9.817 -2.987 1.00 0.00 N ATOM 760 CA PHE A 58 -3.143 8.684 -2.127 1.00 0.00 C ATOM 761 C PHE A 58 -4.199 7.791 -2.771 1.00 0.00 C ATOM 762 O PHE A 58 -3.996 6.587 -2.934 1.00 0.00 O ATOM 763 CB PHE A 58 -3.636 9.173 -0.764 1.00 0.00 C ATOM 764 CG PHE A 58 -3.563 8.127 0.312 1.00 0.00 C ATOM 765 CD1 PHE A 58 -4.333 6.978 0.233 1.00 0.00 C ATOM 766 CD2 PHE A 58 -2.726 8.294 1.403 1.00 0.00 C ATOM 767 CE1 PHE A 58 -4.267 6.013 1.221 1.00 0.00 C ATOM 768 CE2 PHE A 58 -2.655 7.333 2.393 1.00 0.00 C ATOM 769 CZ PHE A 58 -3.429 6.192 2.303 1.00 0.00 C ATOM 0 H PHE A 58 -3.068 10.726 -2.594 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.233 8.100 -1.989 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.044 10.036 -0.461 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.667 9.512 -0.860 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.992 6.834 -0.610 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.122 9.186 1.481 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.870 5.120 1.146 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.995 7.473 3.236 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.378 5.441 3.078 1.00 0.00 H new ATOM 778 N VAL A 59 -5.328 8.389 -3.137 1.00 0.00 N ATOM 779 CA VAL A 59 -6.417 7.650 -3.765 1.00 0.00 C ATOM 780 C VAL A 59 -5.960 6.995 -5.063 1.00 0.00 C ATOM 781 O VAL A 59 -6.431 5.917 -5.427 1.00 0.00 O ATOM 782 CB VAL A 59 -7.620 8.564 -4.059 1.00 0.00 C ATOM 783 CG1 VAL A 59 -7.173 9.807 -4.814 1.00 0.00 C ATOM 784 CG2 VAL A 59 -8.684 7.809 -4.842 1.00 0.00 C ATOM 0 H VAL A 59 -5.513 9.384 -3.009 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.722 6.877 -3.060 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.055 8.880 -3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.036 10.442 -5.013 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.449 10.357 -4.213 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.713 9.514 -5.757 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.527 8.470 -5.041 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.264 7.463 -5.786 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.024 6.952 -4.260 1.00 0.00 H new ATOM 794 N ALA A 60 -5.039 7.654 -5.759 1.00 0.00 N ATOM 795 CA ALA A 60 -4.516 7.134 -7.017 1.00 0.00 C ATOM 796 C ALA A 60 -3.722 5.852 -6.794 1.00 0.00 C ATOM 797 O ALA A 60 -3.771 4.930 -7.607 1.00 0.00 O ATOM 798 CB ALA A 60 -3.650 8.183 -7.700 1.00 0.00 C ATOM 0 H ALA A 60 -4.640 8.548 -5.473 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.361 6.897 -7.664 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.265 7.783 -8.638 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.247 9.072 -7.903 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.816 8.446 -7.049 1.00 0.00 H new ATOM 804 N ALA A 61 -2.988 5.801 -5.687 1.00 0.00 N ATOM 805 CA ALA A 61 -2.184 4.631 -5.356 1.00 0.00 C ATOM 806 C ALA A 61 -3.046 3.524 -4.760 1.00 0.00 C ATOM 807 O ALA A 61 -2.826 2.342 -5.027 1.00 0.00 O ATOM 808 CB ALA A 61 -1.070 5.012 -4.392 1.00 0.00 C ATOM 0 H ALA A 61 -2.934 6.557 -5.004 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.739 4.254 -6.277 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.477 4.129 -4.153 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.430 5.764 -4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.503 5.416 -3.477 1.00 0.00 H new ATOM 814 N ALA A 62 -4.027 3.913 -3.952 1.00 0.00 N ATOM 815 CA ALA A 62 -4.922 2.952 -3.320 1.00 0.00 C ATOM 816 C ALA A 62 -5.560 2.032 -4.356 1.00 0.00 C ATOM 817 O ALA A 62 -5.782 0.849 -4.096 1.00 0.00 O ATOM 818 CB ALA A 62 -5.996 3.677 -2.524 1.00 0.00 C ATOM 0 H ALA A 62 -4.222 4.887 -3.720 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.333 2.337 -2.640 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.658 2.947 -2.057 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.527 4.288 -1.752 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.574 4.316 -3.191 1.00 0.00 H new ATOM 824 N ALA A 63 -5.853 2.582 -5.529 1.00 0.00 N ATOM 825 CA ALA A 63 -6.464 1.811 -6.604 1.00 0.00 C ATOM 826 C ALA A 63 -5.617 0.593 -6.956 1.00 0.00 C ATOM 827 O ALA A 63 -6.144 -0.468 -7.291 1.00 0.00 O ATOM 828 CB ALA A 63 -6.670 2.686 -7.831 1.00 0.00 C ATOM 0 H ALA A 63 -5.677 3.560 -5.759 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.435 1.458 -6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.127 2.096 -8.626 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.323 3.521 -7.577 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.708 3.069 -8.171 1.00 0.00 H new ATOM 834 N LYS A 64 -4.300 0.753 -6.880 1.00 0.00 N ATOM 835 CA LYS A 64 -3.378 -0.333 -7.190 1.00 0.00 C ATOM 836 C LYS A 64 -3.356 -1.366 -6.067 1.00 0.00 C ATOM 837 O LYS A 64 -3.455 -2.567 -6.313 1.00 0.00 O ATOM 838 CB LYS A 64 -1.968 0.217 -7.417 1.00 0.00 C ATOM 839 CG LYS A 64 -0.903 -0.862 -7.524 1.00 0.00 C ATOM 840 CD LYS A 64 -1.269 -1.904 -8.567 1.00 0.00 C ATOM 841 CE LYS A 64 -0.094 -2.212 -9.483 1.00 0.00 C ATOM 842 NZ LYS A 64 -0.503 -3.043 -10.649 1.00 0.00 N ATOM 0 H LYS A 64 -3.847 1.625 -6.606 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.724 -0.820 -8.102 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.962 0.813 -8.330 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.712 0.888 -6.597 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.053 -0.407 -7.783 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.774 -1.345 -6.555 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.594 -2.818 -8.071 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.110 -1.547 -9.160 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.344 -1.279 -9.838 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.679 -2.733 -8.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.013 -3.946 -10.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.525 -3.228 -10.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.283 -2.537 -11.530 1.00 0.00 H new ATOM 852 N VAL A 65 -3.227 -0.889 -4.833 1.00 0.00 N ATOM 853 CA VAL A 65 -3.196 -1.771 -3.672 1.00 0.00 C ATOM 854 C VAL A 65 -4.446 -2.641 -3.609 1.00 0.00 C ATOM 855 O VAL A 65 -4.384 -3.808 -3.225 1.00 0.00 O ATOM 856 CB VAL A 65 -3.074 -0.970 -2.362 1.00 0.00 C ATOM 857 CG1 VAL A 65 -2.865 -1.905 -1.181 1.00 0.00 C ATOM 858 CG2 VAL A 65 -1.942 0.041 -2.459 1.00 0.00 C ATOM 0 H VAL A 65 -3.142 0.103 -4.611 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.319 -2.409 -3.782 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.004 -0.425 -2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.781 -1.321 -0.265 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.713 -2.585 -1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.951 -2.480 -1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.870 0.598 -1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.003 -0.481 -2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.140 0.732 -3.279 1.00 0.00 H new ATOM 868 N ASN A 66 -5.583 -2.063 -3.988 1.00 0.00 N ATOM 869 CA ASN A 66 -6.849 -2.787 -3.974 1.00 0.00 C ATOM 870 C ASN A 66 -6.896 -3.823 -5.092 1.00 0.00 C ATOM 871 O ASN A 66 -7.322 -4.960 -4.884 1.00 0.00 O ATOM 872 CB ASN A 66 -8.018 -1.811 -4.120 1.00 0.00 C ATOM 873 CG ASN A 66 -9.212 -2.439 -4.811 1.00 0.00 C ATOM 874 OD1 ASN A 66 -9.237 -2.360 -6.137 1.00 0.00 O flip ATOM 875 ND2 ASN A 66 -10.102 -2.989 -4.162 1.00 0.00 N flip ATOM 0 H ASN A 66 -5.653 -1.097 -4.308 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.932 -3.306 -3.019 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.317 -1.457 -3.134 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.691 -0.939 -4.686 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.042 -3.027 -3.144 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.899 -3.407 -4.642 1.00 0.00 H new ATOM 881 N THR A 67 -6.452 -3.425 -6.281 1.00 0.00 N ATOM 882 CA THR A 67 -6.443 -4.318 -7.432 1.00 0.00 C ATOM 883 C THR A 67 -5.585 -5.550 -7.165 1.00 0.00 C ATOM 884 O THR A 67 -5.900 -6.650 -7.624 1.00 0.00 O ATOM 885 CB THR A 67 -5.919 -3.606 -8.692 1.00 0.00 C ATOM 886 OG1 THR A 67 -6.803 -2.540 -9.056 1.00 0.00 O ATOM 887 CG2 THR A 67 -5.789 -4.582 -9.851 1.00 0.00 C ATOM 0 H THR A 67 -6.094 -2.489 -6.471 1.00 0.00 H new ATOM 0 HA THR A 67 -7.475 -4.626 -7.601 1.00 0.00 H new ATOM 0 HB THR A 67 -4.933 -3.199 -8.468 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.638 -1.766 -8.478 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.417 -4.056 -10.730 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.092 -5.376 -9.582 1.00 0.00 H new ATOM 0 HG23 THR A 67 -6.764 -5.015 -10.073 1.00 0.00 H new ATOM 895 N LEU A 68 -4.502 -5.362 -6.421 1.00 0.00 N ATOM 896 CA LEU A 68 -3.599 -6.458 -6.092 1.00 0.00 C ATOM 897 C LEU A 68 -4.193 -7.347 -5.004 1.00 0.00 C ATOM 898 O LEU A 68 -3.877 -8.534 -4.914 1.00 0.00 O ATOM 899 CB LEU A 68 -2.245 -5.911 -5.635 1.00 0.00 C ATOM 900 CG LEU A 68 -1.506 -5.026 -6.639 1.00 0.00 C ATOM 901 CD1 LEU A 68 -0.683 -3.971 -5.916 1.00 0.00 C ATOM 902 CD2 LEU A 68 -0.620 -5.869 -7.544 1.00 0.00 C ATOM 0 H LEU A 68 -4.227 -4.459 -6.033 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.457 -7.059 -6.990 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.397 -5.339 -4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.602 -6.754 -5.381 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.245 -4.519 -7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.164 -3.351 -6.647 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.341 -3.347 -5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.047 -4.459 -5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.102 -5.222 -8.252 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.112 -6.405 -6.940 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.234 -6.585 -8.090 1.00 0.00 H new ATOM 913 N LEU A 69 -5.059 -6.765 -4.181 1.00 0.00 N ATOM 914 CA LEU A 69 -5.701 -7.504 -3.098 1.00 0.00 C ATOM 915 C LEU A 69 -6.741 -8.475 -3.646 1.00 0.00 C ATOM 916 O LEU A 69 -6.993 -9.527 -3.057 1.00 0.00 O ATOM 917 CB LEU A 69 -6.359 -6.536 -2.114 1.00 0.00 C ATOM 918 CG LEU A 69 -5.566 -6.227 -0.845 1.00 0.00 C ATOM 919 CD1 LEU A 69 -6.308 -5.215 0.015 1.00 0.00 C ATOM 920 CD2 LEU A 69 -5.299 -7.502 -0.059 1.00 0.00 C ATOM 0 H LEU A 69 -5.333 -5.784 -4.243 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.934 -8.077 -2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.554 -5.598 -2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.326 -6.947 -1.823 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.608 -5.795 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.728 -5.007 0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.448 -4.292 -0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.280 -5.620 0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.733 -7.263 0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.247 -7.963 0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.726 -8.195 -0.674 1.00 0.00 H new ATOM 931 N ASP A 70 -7.339 -8.119 -4.776 1.00 0.00 N ATOM 932 CA ASP A 70 -8.350 -8.961 -5.406 1.00 0.00 C ATOM 933 C ASP A 70 -7.701 -10.119 -6.158 1.00 0.00 C ATOM 934 O ASP A 70 -8.096 -11.275 -6.000 1.00 0.00 O ATOM 935 CB ASP A 70 -9.211 -8.134 -6.364 1.00 0.00 C ATOM 936 CG ASP A 70 -10.447 -8.881 -6.822 1.00 0.00 C ATOM 937 OD1 ASP A 70 -10.306 -9.830 -7.622 1.00 0.00 O ATOM 938 OD2 ASP A 70 -11.558 -8.516 -6.380 1.00 0.00 O ATOM 0 H ASP A 70 -7.142 -7.252 -5.276 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.985 -9.371 -4.621 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.511 -7.209 -5.872 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.616 -7.854 -7.233 1.00 0.00 H new ATOM 942 N VAL A 71 -6.703 -9.802 -6.976 1.00 0.00 N ATOM 943 CA VAL A 71 -5.999 -10.815 -7.752 1.00 0.00 C ATOM 944 C VAL A 71 -5.315 -11.828 -6.841 1.00 0.00 C ATOM 945 O VAL A 71 -5.200 -13.006 -7.181 1.00 0.00 O ATOM 946 CB VAL A 71 -4.945 -10.180 -8.679 1.00 0.00 C ATOM 947 CG1 VAL A 71 -5.605 -9.241 -9.676 1.00 0.00 C ATOM 948 CG2 VAL A 71 -3.889 -9.450 -7.863 1.00 0.00 C ATOM 0 H VAL A 71 -6.364 -8.851 -7.118 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.747 -11.324 -8.360 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.453 -10.975 -9.239 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.844 -8.803 -10.322 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.319 -9.798 -10.283 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.126 -8.448 -9.139 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.152 -9.008 -8.534 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.363 -8.664 -7.275 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.394 -10.155 -7.195 1.00 0.00 H new ATOM 958 N ALA A 72 -4.862 -11.362 -5.682 1.00 0.00 N ATOM 959 CA ALA A 72 -4.191 -12.228 -4.720 1.00 0.00 C ATOM 960 C ALA A 72 -5.140 -13.297 -4.189 1.00 0.00 C ATOM 961 O ALA A 72 -4.811 -14.482 -4.182 1.00 0.00 O ATOM 962 CB ALA A 72 -3.626 -11.404 -3.573 1.00 0.00 C ATOM 0 H ALA A 72 -4.947 -10.390 -5.386 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.370 -12.730 -5.231 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.128 -12.063 -2.862 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.908 -10.682 -3.963 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.436 -10.875 -3.071 1.00 0.00 H new ATOM 968 N GLN A 73 -6.317 -12.869 -3.744 1.00 0.00 N ATOM 969 CA GLN A 73 -7.312 -13.791 -3.210 1.00 0.00 C ATOM 970 C GLN A 73 -7.923 -14.636 -4.322 1.00 0.00 C ATOM 971 O GLN A 73 -8.263 -15.801 -4.113 1.00 0.00 O ATOM 972 CB GLN A 73 -8.411 -13.019 -2.477 1.00 0.00 C ATOM 973 CG GLN A 73 -7.891 -12.136 -1.355 1.00 0.00 C ATOM 974 CD GLN A 73 -8.959 -11.226 -0.784 1.00 0.00 C ATOM 975 OE1 GLN A 73 -9.818 -11.779 0.064 1.00 0.00 O flip ATOM 976 NE2 GLN A 73 -9.014 -10.037 -1.102 1.00 0.00 N flip ATOM 0 H GLN A 73 -6.605 -11.890 -3.743 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.813 -14.457 -2.506 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.949 -12.400 -3.195 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.129 -13.728 -2.066 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.492 -12.765 -0.559 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.065 -11.530 -1.728 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.334 -9.652 -1.757 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.740 -9.437 -0.710 1.00 0.00 H new ATOM 983 N ALA A 74 -8.060 -14.043 -5.503 1.00 0.00 N ATOM 984 CA ALA A 74 -8.629 -14.743 -6.648 1.00 0.00 C ATOM 985 C ALA A 74 -7.666 -15.802 -7.177 1.00 0.00 C ATOM 986 O ALA A 74 -8.086 -16.878 -7.599 1.00 0.00 O ATOM 987 CB ALA A 74 -8.985 -13.754 -7.748 1.00 0.00 C ATOM 0 H ALA A 74 -7.785 -13.079 -5.692 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.538 -15.247 -6.320 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.409 -14.291 -8.597 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.715 -13.037 -7.371 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.087 -13.224 -8.066 1.00 0.00 H new ATOM 993 N ASN A 75 -6.376 -15.487 -7.152 1.00 0.00 N ATOM 994 CA ASN A 75 -5.354 -16.411 -7.631 1.00 0.00 C ATOM 995 C ASN A 75 -5.019 -17.452 -6.567 1.00 0.00 C ATOM 996 O ASN A 75 -4.788 -18.621 -6.877 1.00 0.00 O ATOM 997 CB ASN A 75 -4.090 -15.646 -8.029 1.00 0.00 C ATOM 998 CG ASN A 75 -4.224 -14.966 -9.377 1.00 0.00 C ATOM 999 OD1 ASN A 75 -5.357 -14.308 -9.597 1.00 0.00 O flip ATOM 1000 ND2 ASN A 75 -3.321 -15.031 -10.210 1.00 0.00 N flip ATOM 0 H ASN A 75 -6.013 -14.599 -6.805 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.748 -16.927 -8.506 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.868 -14.898 -7.269 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.245 -16.335 -8.055 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -2.468 -15.548 -9.998 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.426 -14.568 -11.113 1.00 0.00 H new ATOM 1006 N LEU A 76 -4.997 -17.019 -5.312 1.00 0.00 N ATOM 1007 CA LEU A 76 -4.692 -17.912 -4.199 1.00 0.00 C ATOM 1008 C LEU A 76 -5.889 -18.797 -3.868 1.00 0.00 C ATOM 1009 O LEU A 76 -5.730 -19.920 -3.392 1.00 0.00 O ATOM 1010 CB LEU A 76 -4.285 -17.103 -2.966 1.00 0.00 C ATOM 1011 CG LEU A 76 -2.912 -16.433 -3.028 1.00 0.00 C ATOM 1012 CD1 LEU A 76 -2.625 -15.684 -1.734 1.00 0.00 C ATOM 1013 CD2 LEU A 76 -1.827 -17.464 -3.300 1.00 0.00 C ATOM 0 H LEU A 76 -5.187 -16.055 -5.039 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.861 -18.552 -4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.037 -16.332 -2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.306 -17.763 -2.099 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.916 -15.714 -3.848 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.644 -15.213 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.386 -14.918 -1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.640 -16.383 -0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.857 -16.969 -3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.822 -18.206 -2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.023 -17.956 -4.252 1.00 0.00 H new ATOM 1024 N GLY A 77 -7.088 -18.283 -4.126 1.00 0.00 N ATOM 1025 CA GLY A 77 -8.295 -19.042 -3.850 1.00 0.00 C ATOM 1026 C GLY A 77 -8.610 -19.114 -2.369 1.00 0.00 C ATOM 1027 O GLY A 77 -9.525 -18.445 -1.890 1.00 0.00 O ATOM 0 H GLY A 77 -7.245 -17.356 -4.521 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.135 -18.586 -4.375 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.183 -20.052 -4.244 1.00 0.00 H new ATOM 1031 N GLU A 78 -7.850 -19.928 -1.643 1.00 0.00 N ATOM 1032 CA GLU A 78 -8.055 -20.085 -0.207 1.00 0.00 C ATOM 1033 C GLU A 78 -8.080 -18.729 0.491 1.00 0.00 C ATOM 1034 O GLU A 78 -8.817 -18.528 1.456 1.00 0.00 O ATOM 1035 CB GLU A 78 -6.955 -20.961 0.395 1.00 0.00 C ATOM 1036 CG GLU A 78 -7.480 -22.209 1.084 1.00 0.00 C ATOM 1037 CD GLU A 78 -6.524 -23.381 0.975 1.00 0.00 C ATOM 1038 OE1 GLU A 78 -5.309 -23.177 1.187 1.00 0.00 O ATOM 1039 OE2 GLU A 78 -6.988 -24.501 0.678 1.00 0.00 O ATOM 0 H GLU A 78 -7.088 -20.488 -2.025 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.019 -20.570 -0.055 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.264 -21.256 -0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.385 -20.372 1.114 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.662 -21.990 2.136 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.439 -22.485 0.646 1.00 0.00 H new ATOM 1044 N ALA A 79 -7.268 -17.800 -0.005 1.00 0.00 N ATOM 1045 CA ALA A 79 -7.196 -16.462 0.570 1.00 0.00 C ATOM 1046 C ALA A 79 -8.580 -15.823 0.646 1.00 0.00 C ATOM 1047 O ALA A 79 -8.837 -14.977 1.502 1.00 0.00 O ATOM 1048 CB ALA A 79 -6.254 -15.588 -0.244 1.00 0.00 C ATOM 0 H ALA A 79 -6.651 -17.950 -0.803 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.807 -16.549 1.585 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.210 -14.592 0.197 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.257 -16.029 -0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.619 -15.516 -1.269 1.00 0.00 H new ATOM 1533 N ALA B 620 1.733 12.017 9.622 1.00 0.00 N ATOM 1534 CA ALA B 620 2.477 11.099 8.770 1.00 0.00 C ATOM 1535 C ALA B 620 2.805 9.806 9.509 1.00 0.00 C ATOM 1536 O ALA B 620 2.894 8.739 8.903 1.00 0.00 O ATOM 1537 CB ALA B 620 3.752 11.762 8.269 1.00 0.00 C ATOM 0 HA ALA B 620 1.850 10.847 7.914 1.00 0.00 H new ATOM 0 HB1 ALA B 620 4.299 11.065 7.633 1.00 0.00 H new ATOM 0 HB2 ALA B 620 3.497 12.653 7.695 1.00 0.00 H new ATOM 0 HB3 ALA B 620 4.374 12.043 9.119 1.00 0.00 H new ATOM 1543 N GLY B 621 2.984 9.910 10.822 1.00 0.00 N ATOM 1544 CA GLY B 621 3.302 8.742 11.622 1.00 0.00 C ATOM 1545 C GLY B 621 2.309 7.614 11.420 1.00 0.00 C ATOM 1546 O GLY B 621 2.674 6.439 11.473 1.00 0.00 O ATOM 0 H GLY B 621 2.914 10.782 11.346 1.00 0.00 H new ATOM 0 HA2 GLY B 621 4.302 8.392 11.367 1.00 0.00 H new ATOM 0 HA3 GLY B 621 3.321 9.021 12.676 1.00 0.00 H new ATOM 1550 N TYR B 622 1.050 7.971 11.190 1.00 0.00 N ATOM 1551 CA TYR B 622 0.001 6.979 10.984 1.00 0.00 C ATOM 1552 C TYR B 622 0.149 6.304 9.624 1.00 0.00 C ATOM 1553 O TYR B 622 -0.029 5.093 9.497 1.00 0.00 O ATOM 1554 CB TYR B 622 -1.377 7.635 11.092 1.00 0.00 C ATOM 1555 CG TYR B 622 -2.310 6.927 12.049 1.00 0.00 C ATOM 1556 CD1 TYR B 622 -2.263 7.183 13.414 1.00 0.00 C ATOM 1557 CD2 TYR B 622 -3.240 6.003 11.588 1.00 0.00 C ATOM 1558 CE1 TYR B 622 -3.113 6.539 14.291 1.00 0.00 C ATOM 1559 CE2 TYR B 622 -4.095 5.355 12.458 1.00 0.00 C ATOM 1560 CZ TYR B 622 -4.027 5.626 13.809 1.00 0.00 C ATOM 1561 OH TYR B 622 -4.876 4.981 14.680 1.00 0.00 O ATOM 0 H TYR B 622 0.731 8.939 11.142 1.00 0.00 H new ATOM 0 HA TYR B 622 0.097 6.219 11.759 1.00 0.00 H new ATOM 0 HB2 TYR B 622 -1.254 8.669 11.415 1.00 0.00 H new ATOM 0 HB3 TYR B 622 -1.836 7.663 10.104 1.00 0.00 H new ATOM 0 HD1 TYR B 622 -1.549 7.898 13.796 1.00 0.00 H new ATOM 0 HD2 TYR B 622 -3.295 5.788 10.531 1.00 0.00 H new ATOM 0 HE1 TYR B 622 -3.062 6.749 15.349 1.00 0.00 H new ATOM 0 HE2 TYR B 622 -4.813 4.640 12.083 1.00 0.00 H new ATOM 0 HH TYR B 622 -5.458 4.372 14.179 1.00 0.00 H new ATOM 1570 N ALA B 623 0.476 7.097 8.608 1.00 0.00 N ATOM 1571 CA ALA B 623 0.651 6.577 7.259 1.00 0.00 C ATOM 1572 C ALA B 623 1.612 5.392 7.247 1.00 0.00 C ATOM 1573 O ALA B 623 1.463 4.468 6.448 1.00 0.00 O ATOM 1574 CB ALA B 623 1.153 7.673 6.331 1.00 0.00 C ATOM 0 H ALA B 623 0.625 8.102 8.695 1.00 0.00 H new ATOM 0 HA ALA B 623 -0.319 6.230 6.903 1.00 0.00 H new ATOM 0 HB1 ALA B 623 1.279 7.270 5.326 1.00 0.00 H new ATOM 0 HB2 ALA B 623 0.430 8.488 6.307 1.00 0.00 H new ATOM 0 HB3 ALA B 623 2.110 8.047 6.694 1.00 0.00 H new ATOM 1580 N GLY B 624 2.597 5.426 8.139 1.00 0.00 N ATOM 1581 CA GLY B 624 3.568 4.349 8.214 1.00 0.00 C ATOM 1582 C GLY B 624 2.916 2.994 8.399 1.00 0.00 C ATOM 1583 O GLY B 624 3.493 1.964 8.046 1.00 0.00 O ATOM 0 H GLY B 624 2.740 6.180 8.811 1.00 0.00 H new ATOM 0 HA2 GLY B 624 4.167 4.340 7.303 1.00 0.00 H new ATOM 0 HA3 GLY B 624 4.251 4.537 9.043 1.00 0.00 H new ATOM 1587 N THR B 625 1.709 2.989 8.956 1.00 0.00 N ATOM 1588 CA THR B 625 0.979 1.750 9.190 1.00 0.00 C ATOM 1589 C THR B 625 0.809 0.959 7.898 1.00 0.00 C ATOM 1590 O THR B 625 0.910 -0.269 7.892 1.00 0.00 O ATOM 1591 CB THR B 625 -0.410 2.022 9.799 1.00 0.00 C ATOM 1592 OG1 THR B 625 -0.275 2.777 11.008 1.00 0.00 O ATOM 1593 CG2 THR B 625 -1.139 0.719 10.088 1.00 0.00 C ATOM 0 H THR B 625 1.216 3.831 9.254 1.00 0.00 H new ATOM 0 HA THR B 625 1.569 1.165 9.896 1.00 0.00 H new ATOM 0 HB THR B 625 -0.993 2.594 9.077 1.00 0.00 H new ATOM 0 HG1 THR B 625 -0.160 3.725 10.790 1.00 0.00 H new ATOM 0 HG21 THR B 625 -2.117 0.937 10.517 1.00 0.00 H new ATOM 0 HG22 THR B 625 -1.266 0.160 9.161 1.00 0.00 H new ATOM 0 HG23 THR B 625 -0.557 0.125 10.793 1.00 0.00 H new ATOM 1601 N LEU B 626 0.551 1.669 6.806 1.00 0.00 N ATOM 1602 CA LEU B 626 0.369 1.033 5.505 1.00 0.00 C ATOM 1603 C LEU B 626 1.625 0.276 5.088 1.00 0.00 C ATOM 1604 O LEU B 626 1.545 -0.790 4.478 1.00 0.00 O ATOM 1605 CB LEU B 626 0.014 2.080 4.449 1.00 0.00 C ATOM 1606 CG LEU B 626 -1.095 3.064 4.824 1.00 0.00 C ATOM 1607 CD1 LEU B 626 -1.227 4.147 3.766 1.00 0.00 C ATOM 1608 CD2 LEU B 626 -2.417 2.332 5.008 1.00 0.00 C ATOM 0 H LEU B 626 0.463 2.685 6.795 1.00 0.00 H new ATOM 0 HA LEU B 626 -0.450 0.319 5.588 1.00 0.00 H new ATOM 0 HB2 LEU B 626 0.913 2.650 4.215 1.00 0.00 H new ATOM 0 HB3 LEU B 626 -0.281 1.561 3.537 1.00 0.00 H new ATOM 0 HG LEU B 626 -0.830 3.538 5.769 1.00 0.00 H new ATOM 0 HD11 LEU B 626 -2.021 4.838 4.050 1.00 0.00 H new ATOM 0 HD12 LEU B 626 -0.286 4.690 3.682 1.00 0.00 H new ATOM 0 HD13 LEU B 626 -1.469 3.690 2.806 1.00 0.00 H new ATOM 0 HD21 LEU B 626 -3.195 3.047 5.275 1.00 0.00 H new ATOM 0 HD22 LEU B 626 -2.688 1.831 4.079 1.00 0.00 H new ATOM 0 HD23 LEU B 626 -2.316 1.593 5.803 1.00 0.00 H new ATOM 1619 N GLN B 627 2.784 0.834 5.422 1.00 0.00 N ATOM 1620 CA GLN B 627 4.057 0.212 5.081 1.00 0.00 C ATOM 1621 C GLN B 627 4.248 -1.092 5.848 1.00 0.00 C ATOM 1622 O GLN B 627 4.525 -2.137 5.259 1.00 0.00 O ATOM 1623 CB GLN B 627 5.213 1.167 5.383 1.00 0.00 C ATOM 1624 CG GLN B 627 5.983 1.600 4.145 1.00 0.00 C ATOM 1625 CD GLN B 627 7.312 0.884 4.004 1.00 0.00 C ATOM 1626 OE1 GLN B 627 7.360 -0.339 3.870 1.00 0.00 O ATOM 1627 NE2 GLN B 627 8.400 1.644 4.034 1.00 0.00 N ATOM 0 H GLN B 627 2.867 1.716 5.928 1.00 0.00 H new ATOM 0 HA GLN B 627 4.048 -0.012 4.014 1.00 0.00 H new ATOM 0 HB2 GLN B 627 4.821 2.052 5.885 1.00 0.00 H new ATOM 0 HB3 GLN B 627 5.900 0.684 6.078 1.00 0.00 H new ATOM 0 HG2 GLN B 627 5.376 1.410 3.260 1.00 0.00 H new ATOM 0 HG3 GLN B 627 6.157 2.675 4.187 1.00 0.00 H new ATOM 0 HE21 GLN B 627 8.314 2.654 4.147 1.00 0.00 H new ATOM 0 HE22 GLN B 627 9.322 1.218 3.944 1.00 0.00 H new ATOM 1634 N SER B 628 4.098 -1.025 7.168 1.00 0.00 N ATOM 1635 CA SER B 628 4.258 -2.199 8.016 1.00 0.00 C ATOM 1636 C SER B 628 3.191 -3.245 7.703 1.00 0.00 C ATOM 1637 O SER B 628 3.503 -4.407 7.442 1.00 0.00 O ATOM 1638 CB SER B 628 4.180 -1.803 9.492 1.00 0.00 C ATOM 1639 OG SER B 628 5.460 -1.849 10.100 1.00 0.00 O ATOM 0 H SER B 628 3.866 -0.169 7.672 1.00 0.00 H new ATOM 0 HA SER B 628 5.238 -2.631 7.814 1.00 0.00 H new ATOM 0 HB2 SER B 628 3.767 -0.798 9.581 1.00 0.00 H new ATOM 0 HB3 SER B 628 3.500 -2.474 10.017 1.00 0.00 H new ATOM 0 HG SER B 628 5.384 -1.590 11.042 1.00 0.00 H new ATOM 1644 N LEU B 629 1.932 -2.823 7.731 1.00 0.00 N ATOM 1645 CA LEU B 629 0.818 -3.721 7.450 1.00 0.00 C ATOM 1646 C LEU B 629 0.921 -4.293 6.039 1.00 0.00 C ATOM 1647 O LEU B 629 0.607 -5.458 5.806 1.00 0.00 O ATOM 1648 CB LEU B 629 -0.512 -2.985 7.618 1.00 0.00 C ATOM 1649 CG LEU B 629 -1.737 -3.661 7.000 1.00 0.00 C ATOM 1650 CD1 LEU B 629 -1.843 -5.104 7.468 1.00 0.00 C ATOM 1651 CD2 LEU B 629 -3.003 -2.891 7.347 1.00 0.00 C ATOM 0 H LEU B 629 1.657 -1.864 7.945 1.00 0.00 H new ATOM 0 HA LEU B 629 0.862 -4.546 8.161 1.00 0.00 H new ATOM 0 HB2 LEU B 629 -0.696 -2.848 8.684 1.00 0.00 H new ATOM 0 HB3 LEU B 629 -0.412 -1.991 7.182 1.00 0.00 H new ATOM 0 HG LEU B 629 -1.621 -3.660 5.916 1.00 0.00 H new ATOM 0 HD11 LEU B 629 -2.720 -5.569 7.018 1.00 0.00 H new ATOM 0 HD12 LEU B 629 -0.949 -5.650 7.168 1.00 0.00 H new ATOM 0 HD13 LEU B 629 -1.936 -5.128 8.554 1.00 0.00 H new ATOM 0 HD21 LEU B 629 -3.864 -3.386 6.899 1.00 0.00 H new ATOM 0 HD22 LEU B 629 -3.125 -2.860 8.430 1.00 0.00 H new ATOM 0 HD23 LEU B 629 -2.928 -1.874 6.961 1.00 0.00 H new ATOM 1662 N GLY B 630 1.366 -3.462 5.101 1.00 0.00 N ATOM 1663 CA GLY B 630 1.505 -3.903 3.725 1.00 0.00 C ATOM 1664 C GLY B 630 2.321 -5.175 3.604 1.00 0.00 C ATOM 1665 O GLY B 630 1.924 -6.109 2.907 1.00 0.00 O ATOM 0 H GLY B 630 1.633 -2.492 5.269 1.00 0.00 H new ATOM 0 HA2 GLY B 630 0.516 -4.067 3.298 1.00 0.00 H new ATOM 0 HA3 GLY B 630 1.978 -3.114 3.140 1.00 0.00 H new ATOM 1669 N ALA B 631 3.463 -5.211 4.281 1.00 0.00 N ATOM 1670 CA ALA B 631 4.336 -6.377 4.247 1.00 0.00 C ATOM 1671 C ALA B 631 3.597 -7.629 4.708 1.00 0.00 C ATOM 1672 O ALA B 631 3.853 -8.728 4.217 1.00 0.00 O ATOM 1673 CB ALA B 631 5.568 -6.142 5.108 1.00 0.00 C ATOM 0 H ALA B 631 3.806 -4.445 4.861 1.00 0.00 H new ATOM 0 HA ALA B 631 4.653 -6.532 3.216 1.00 0.00 H new ATOM 0 HB1 ALA B 631 6.210 -7.022 5.072 1.00 0.00 H new ATOM 0 HB2 ALA B 631 6.115 -5.278 4.732 1.00 0.00 H new ATOM 0 HB3 ALA B 631 5.262 -5.958 6.138 1.00 0.00 H new ATOM 1679 N GLU B 632 2.682 -7.456 5.655 1.00 0.00 N ATOM 1680 CA GLU B 632 1.907 -8.573 6.183 1.00 0.00 C ATOM 1681 C GLU B 632 1.184 -9.311 5.061 1.00 0.00 C ATOM 1682 O GLU B 632 1.142 -10.542 5.040 1.00 0.00 O ATOM 1683 CB GLU B 632 0.895 -8.077 7.219 1.00 0.00 C ATOM 1684 CG GLU B 632 1.503 -7.182 8.285 1.00 0.00 C ATOM 1685 CD GLU B 632 2.682 -7.829 8.986 1.00 0.00 C ATOM 1686 OE1 GLU B 632 2.462 -8.790 9.753 1.00 0.00 O ATOM 1687 OE2 GLU B 632 3.825 -7.375 8.768 1.00 0.00 O ATOM 0 H GLU B 632 2.459 -6.553 6.073 1.00 0.00 H new ATOM 0 HA GLU B 632 2.597 -9.266 6.664 1.00 0.00 H new ATOM 0 HB2 GLU B 632 0.102 -7.531 6.707 1.00 0.00 H new ATOM 0 HB3 GLU B 632 0.430 -8.937 7.701 1.00 0.00 H new ATOM 0 HG2 GLU B 632 1.825 -6.246 7.828 1.00 0.00 H new ATOM 0 HG3 GLU B 632 0.740 -6.931 9.022 1.00 0.00 H new ATOM 1692 N ILE B 633 0.614 -8.552 4.131 1.00 0.00 N ATOM 1693 CA ILE B 633 -0.107 -9.134 3.006 1.00 0.00 C ATOM 1694 C ILE B 633 0.855 -9.752 1.997 1.00 0.00 C ATOM 1695 O ILE B 633 0.534 -10.746 1.347 1.00 0.00 O ATOM 1696 CB ILE B 633 -0.978 -8.083 2.292 1.00 0.00 C ATOM 1697 CG1 ILE B 633 -1.980 -7.470 3.271 1.00 0.00 C ATOM 1698 CG2 ILE B 633 -1.701 -8.712 1.109 1.00 0.00 C ATOM 1699 CD1 ILE B 633 -2.650 -6.219 2.746 1.00 0.00 C ATOM 0 H ILE B 633 0.638 -7.532 4.135 1.00 0.00 H new ATOM 0 HA ILE B 633 -0.752 -9.913 3.413 1.00 0.00 H new ATOM 0 HB ILE B 633 -0.332 -7.289 1.918 1.00 0.00 H new ATOM 0 HG12 ILE B 633 -2.745 -8.210 3.507 1.00 0.00 H new ATOM 0 HG13 ILE B 633 -1.467 -7.234 4.203 1.00 0.00 H new ATOM 0 HG21 ILE B 633 -2.313 -7.958 0.614 1.00 0.00 H new ATOM 0 HG22 ILE B 633 -0.970 -9.107 0.404 1.00 0.00 H new ATOM 0 HG23 ILE B 633 -2.339 -9.522 1.462 1.00 0.00 H new ATOM 0 HD11 ILE B 633 -3.347 -5.839 3.493 1.00 0.00 H new ATOM 0 HD12 ILE B 633 -1.894 -5.462 2.537 1.00 0.00 H new ATOM 0 HD13 ILE B 633 -3.192 -6.454 1.830 1.00 0.00 H new ATOM 1710 N ALA B 634 2.037 -9.157 1.873 1.00 0.00 N ATOM 1711 CA ALA B 634 3.047 -9.650 0.946 1.00 0.00 C ATOM 1712 C ALA B 634 3.561 -11.021 1.373 1.00 0.00 C ATOM 1713 O ALA B 634 3.558 -11.968 0.586 1.00 0.00 O ATOM 1714 CB ALA B 634 4.199 -8.662 0.844 1.00 0.00 C ATOM 0 H ALA B 634 2.318 -8.332 2.403 1.00 0.00 H new ATOM 0 HA ALA B 634 2.584 -9.753 -0.035 1.00 0.00 H new ATOM 0 HB1 ALA B 634 4.946 -9.044 0.148 1.00 0.00 H new ATOM 0 HB2 ALA B 634 3.825 -7.703 0.485 1.00 0.00 H new ATOM 0 HB3 ALA B 634 4.653 -8.530 1.826 1.00 0.00 H new ATOM 1720 N VAL B 635 4.001 -11.120 2.623 1.00 0.00 N ATOM 1721 CA VAL B 635 4.517 -12.376 3.154 1.00 0.00 C ATOM 1722 C VAL B 635 3.490 -13.494 3.017 1.00 0.00 C ATOM 1723 O VAL B 635 3.846 -14.660 2.853 1.00 0.00 O ATOM 1724 CB VAL B 635 4.915 -12.237 4.636 1.00 0.00 C ATOM 1725 CG1 VAL B 635 3.728 -11.772 5.466 1.00 0.00 C ATOM 1726 CG2 VAL B 635 5.464 -13.553 5.165 1.00 0.00 C ATOM 0 H VAL B 635 4.011 -10.346 3.287 1.00 0.00 H new ATOM 0 HA VAL B 635 5.402 -12.627 2.570 1.00 0.00 H new ATOM 0 HB VAL B 635 5.700 -11.485 4.715 1.00 0.00 H new ATOM 0 HG11 VAL B 635 4.028 -11.679 6.510 1.00 0.00 H new ATOM 0 HG12 VAL B 635 3.385 -10.804 5.100 1.00 0.00 H new ATOM 0 HG13 VAL B 635 2.920 -12.499 5.384 1.00 0.00 H new ATOM 0 HG21 VAL B 635 5.740 -13.437 6.213 1.00 0.00 H new ATOM 0 HG22 VAL B 635 4.703 -14.328 5.074 1.00 0.00 H new ATOM 0 HG23 VAL B 635 6.343 -13.839 4.588 1.00 0.00 H new ATOM 1736 N GLU B 636 2.214 -13.130 3.087 1.00 0.00 N ATOM 1737 CA GLU B 636 1.134 -14.104 2.971 1.00 0.00 C ATOM 1738 C GLU B 636 1.120 -14.736 1.583 1.00 0.00 C ATOM 1739 O GLU B 636 0.976 -15.951 1.447 1.00 0.00 O ATOM 1740 CB GLU B 636 -0.214 -13.438 3.256 1.00 0.00 C ATOM 1741 CG GLU B 636 -0.797 -13.798 4.612 1.00 0.00 C ATOM 1742 CD GLU B 636 -1.714 -15.004 4.553 1.00 0.00 C ATOM 1743 OE1 GLU B 636 -1.201 -16.135 4.429 1.00 0.00 O ATOM 1744 OE2 GLU B 636 -2.946 -14.815 4.630 1.00 0.00 O ATOM 0 H GLU B 636 1.902 -12.168 3.223 1.00 0.00 H new ATOM 0 HA GLU B 636 1.305 -14.890 3.707 1.00 0.00 H new ATOM 0 HB2 GLU B 636 -0.095 -12.356 3.197 1.00 0.00 H new ATOM 0 HB3 GLU B 636 -0.922 -13.723 2.478 1.00 0.00 H new ATOM 0 HG2 GLU B 636 0.015 -13.998 5.311 1.00 0.00 H new ATOM 0 HG3 GLU B 636 -1.351 -12.944 5.003 1.00 0.00 H new ATOM 1749 N GLN B 637 1.266 -13.904 0.558 1.00 0.00 N ATOM 1750 CA GLN B 637 1.269 -14.382 -0.820 1.00 0.00 C ATOM 1751 C GLN B 637 2.414 -15.361 -1.054 1.00 0.00 C ATOM 1752 O GLN B 637 2.255 -16.362 -1.752 1.00 0.00 O ATOM 1753 CB GLN B 637 1.381 -13.206 -1.790 1.00 0.00 C ATOM 1754 CG GLN B 637 1.576 -13.627 -3.237 1.00 0.00 C ATOM 1755 CD GLN B 637 2.901 -13.158 -3.808 1.00 0.00 C ATOM 1756 OE1 GLN B 637 2.963 -12.656 -4.931 1.00 0.00 O ATOM 1757 NE2 GLN B 637 3.969 -13.318 -3.036 1.00 0.00 N ATOM 0 H GLN B 637 1.384 -12.895 0.655 1.00 0.00 H new ATOM 0 HA GLN B 637 0.328 -14.902 -0.999 1.00 0.00 H new ATOM 0 HB2 GLN B 637 0.480 -12.598 -1.716 1.00 0.00 H new ATOM 0 HB3 GLN B 637 2.217 -12.575 -1.488 1.00 0.00 H new ATOM 0 HG2 GLN B 637 1.519 -14.713 -3.306 1.00 0.00 H new ATOM 0 HG3 GLN B 637 0.762 -13.226 -3.841 1.00 0.00 H new ATOM 0 HE21 GLN B 637 3.872 -13.739 -2.112 1.00 0.00 H new ATOM 0 HE22 GLN B 637 4.887 -13.020 -3.367 1.00 0.00 H new ATOM 1764 N ALA B 638 3.569 -15.066 -0.465 1.00 0.00 N ATOM 1765 CA ALA B 638 4.741 -15.921 -0.609 1.00 0.00 C ATOM 1766 C ALA B 638 4.534 -17.257 0.094 1.00 0.00 C ATOM 1767 O ALA B 638 5.158 -18.258 -0.258 1.00 0.00 O ATOM 1768 CB ALA B 638 5.976 -15.220 -0.063 1.00 0.00 C ATOM 0 H ALA B 638 3.718 -14.241 0.116 1.00 0.00 H new ATOM 0 HA ALA B 638 4.889 -16.118 -1.671 1.00 0.00 H new ATOM 0 HB1 ALA B 638 6.844 -15.870 -0.177 1.00 0.00 H new ATOM 0 HB2 ALA B 638 6.142 -14.294 -0.613 1.00 0.00 H new ATOM 0 HB3 ALA B 638 5.829 -14.993 0.993 1.00 0.00 H new ATOM 1774 N ALA B 639 3.653 -17.267 1.089 1.00 0.00 N ATOM 1775 CA ALA B 639 3.364 -18.482 1.841 1.00 0.00 C ATOM 1776 C ALA B 639 2.412 -19.390 1.071 1.00 0.00 C ATOM 1777 O ALA B 639 2.349 -20.596 1.319 1.00 0.00 O ATOM 1778 CB ALA B 639 2.779 -18.134 3.202 1.00 0.00 C ATOM 0 H ALA B 639 3.127 -16.448 1.393 1.00 0.00 H new ATOM 0 HA ALA B 639 4.300 -19.021 1.987 1.00 0.00 H new ATOM 0 HB1 ALA B 639 2.568 -19.051 3.753 1.00 0.00 H new ATOM 0 HB2 ALA B 639 3.494 -17.531 3.762 1.00 0.00 H new ATOM 0 HB3 ALA B 639 1.856 -17.571 3.068 1.00 0.00 H new ATOM 1784 N LEU B 640 1.671 -18.807 0.136 1.00 0.00 N ATOM 1785 CA LEU B 640 0.720 -19.563 -0.672 1.00 0.00 C ATOM 1786 C LEU B 640 1.098 -19.512 -2.149 1.00 0.00 C ATOM 1787 O LEU B 640 0.230 -19.488 -3.020 1.00 0.00 O ATOM 1788 CB LEU B 640 -0.694 -19.016 -0.476 1.00 0.00 C ATOM 1789 CG LEU B 640 -1.123 -18.765 0.970 1.00 0.00 C ATOM 1790 CD1 LEU B 640 -2.280 -17.780 1.020 1.00 0.00 C ATOM 1791 CD2 LEU B 640 -1.503 -20.073 1.648 1.00 0.00 C ATOM 0 H LEU B 640 1.710 -17.811 -0.082 1.00 0.00 H new ATOM 0 HA LEU B 640 0.749 -20.602 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU B 640 -0.779 -18.079 -1.027 1.00 0.00 H new ATOM 0 HB3 LEU B 640 -1.398 -19.716 -0.926 1.00 0.00 H new ATOM 0 HG LEU B 640 -0.281 -18.331 1.509 1.00 0.00 H new ATOM 0 HD11 LEU B 640 -2.572 -17.614 2.057 1.00 0.00 H new ATOM 0 HD12 LEU B 640 -1.972 -16.834 0.573 1.00 0.00 H new ATOM 0 HD13 LEU B 640 -3.127 -18.185 0.465 1.00 0.00 H new ATOM 0 HD21 LEU B 640 -1.806 -19.875 2.676 1.00 0.00 H new ATOM 0 HD22 LEU B 640 -2.330 -20.535 1.109 1.00 0.00 H new ATOM 0 HD23 LEU B 640 -0.646 -20.747 1.645 1.00 0.00 H new ATOM 1802 N GLN B 641 2.399 -19.499 -2.421 1.00 0.00 N ATOM 1803 CA GLN B 641 2.891 -19.453 -3.794 1.00 0.00 C ATOM 1804 C GLN B 641 2.293 -20.583 -4.624 1.00 0.00 C ATOM 1805 O GLN B 641 1.729 -20.349 -5.693 1.00 0.00 O ATOM 1806 CB GLN B 641 4.417 -19.541 -3.813 1.00 0.00 C ATOM 1807 CG GLN B 641 5.107 -18.268 -3.350 1.00 0.00 C ATOM 1808 CD GLN B 641 5.076 -17.172 -4.397 1.00 0.00 C ATOM 1809 OE1 GLN B 641 5.927 -17.122 -5.286 1.00 0.00 O ATOM 1810 NE2 GLN B 641 4.090 -16.287 -4.298 1.00 0.00 N ATOM 0 H GLN B 641 3.131 -19.520 -1.711 1.00 0.00 H new ATOM 0 HA GLN B 641 2.584 -18.504 -4.233 1.00 0.00 H new ATOM 0 HB2 GLN B 641 4.733 -20.367 -3.176 1.00 0.00 H new ATOM 0 HB3 GLN B 641 4.746 -19.775 -4.825 1.00 0.00 H new ATOM 0 HG2 GLN B 641 4.626 -17.909 -2.440 1.00 0.00 H new ATOM 0 HG3 GLN B 641 6.143 -18.493 -3.096 1.00 0.00 H new ATOM 0 HE21 GLN B 641 3.407 -16.367 -3.545 1.00 0.00 H new ATOM 0 HE22 GLN B 641 4.016 -15.528 -4.975 1.00 0.00 H new ATOM 1817 N SER B 642 2.420 -21.808 -4.126 1.00 0.00 N ATOM 1818 CA SER B 642 1.897 -22.976 -4.825 1.00 0.00 C ATOM 1819 C SER B 642 0.407 -22.814 -5.112 1.00 0.00 C ATOM 1820 O SER B 642 -0.123 -23.401 -6.055 1.00 0.00 O ATOM 1821 CB SER B 642 2.134 -24.241 -3.999 1.00 0.00 C ATOM 1822 OG SER B 642 0.968 -24.608 -3.282 1.00 0.00 O ATOM 0 H SER B 642 2.881 -22.018 -3.241 1.00 0.00 H new ATOM 0 HA SER B 642 2.425 -23.067 -5.774 1.00 0.00 H new ATOM 0 HB2 SER B 642 2.433 -25.058 -4.656 1.00 0.00 H new ATOM 0 HB3 SER B 642 2.956 -24.076 -3.303 1.00 0.00 H new ATOM 0 HG SER B 642 1.145 -25.420 -2.763 1.00 0.00 H new ATOM 1827 N ALA B 643 -0.264 -22.014 -4.290 1.00 0.00 N ATOM 1828 CA ALA B 643 -1.692 -21.772 -4.455 1.00 0.00 C ATOM 1829 C ALA B 643 -1.965 -20.913 -5.685 1.00 0.00 C ATOM 1830 O ALA B 643 -3.023 -21.021 -6.306 1.00 0.00 O ATOM 1831 CB ALA B 643 -2.263 -21.110 -3.209 1.00 0.00 C ATOM 0 H ALA B 643 0.159 -21.522 -3.503 1.00 0.00 H new ATOM 0 HA ALA B 643 -2.184 -22.734 -4.600 1.00 0.00 H new ATOM 0 HB1 ALA B 643 -3.330 -20.935 -3.346 1.00 0.00 H new ATOM 0 HB2 ALA B 643 -2.110 -21.761 -2.348 1.00 0.00 H new ATOM 0 HB3 ALA B 643 -1.759 -20.159 -3.039 1.00 0.00 H new ATOM 1837 N TRP B 644 -1.006 -20.062 -6.031 1.00 0.00 N ATOM 1838 CA TRP B 644 -1.145 -19.184 -7.188 1.00 0.00 C ATOM 1839 C TRP B 644 -1.266 -19.994 -8.474 1.00 0.00 C ATOM 1840 O TRP B 644 -0.584 -21.002 -8.649 1.00 0.00 O ATOM 1841 CB TRP B 644 0.051 -18.235 -7.278 1.00 0.00 C ATOM 1842 CG TRP B 644 -0.254 -16.964 -8.012 1.00 0.00 C ATOM 1843 CD1 TRP B 644 -0.232 -16.773 -9.365 1.00 0.00 C ATOM 1844 CD2 TRP B 644 -0.626 -15.708 -7.434 1.00 0.00 C ATOM 1845 NE1 TRP B 644 -0.567 -15.474 -9.661 1.00 0.00 N ATOM 1846 CE2 TRP B 644 -0.814 -14.801 -8.494 1.00 0.00 C ATOM 1847 CE3 TRP B 644 -0.820 -15.263 -6.124 1.00 0.00 C ATOM 1848 CZ2 TRP B 644 -1.185 -13.476 -8.282 1.00 0.00 C ATOM 1849 CZ3 TRP B 644 -1.189 -13.948 -5.915 1.00 0.00 C ATOM 1850 CH2 TRP B 644 -1.368 -13.067 -6.989 1.00 0.00 C ATOM 0 H TRP B 644 -0.125 -19.961 -5.528 1.00 0.00 H new ATOM 0 HA TRP B 644 -2.056 -18.599 -7.063 1.00 0.00 H new ATOM 0 HB2 TRP B 644 0.390 -17.992 -6.271 1.00 0.00 H new ATOM 0 HB3 TRP B 644 0.874 -18.746 -7.777 1.00 0.00 H new ATOM 0 HD1 TRP B 644 0.013 -17.531 -10.094 1.00 0.00 H new ATOM 0 HE1 TRP B 644 -0.623 -15.075 -10.598 1.00 0.00 H new ATOM 0 HE3 TRP B 644 -0.684 -15.935 -5.289 1.00 0.00 H new ATOM 0 HZ2 TRP B 644 -1.323 -12.795 -9.109 1.00 0.00 H new ATOM 0 HZ3 TRP B 644 -1.342 -13.593 -4.906 1.00 0.00 H new ATOM 0 HH2 TRP B 644 -1.656 -12.045 -6.793 1.00 0.00 H new ATOM 1860 N GLN B 645 -2.139 -19.544 -9.370 1.00 0.00 N ATOM 1861 CA GLN B 645 -2.349 -20.229 -10.640 1.00 0.00 C ATOM 1862 C GLN B 645 -1.437 -19.661 -11.722 1.00 0.00 C ATOM 1863 O GLN B 645 -0.517 -20.332 -12.189 1.00 0.00 O ATOM 1864 CB GLN B 645 -3.811 -20.107 -11.074 1.00 0.00 C ATOM 1865 CG GLN B 645 -4.802 -20.518 -9.996 1.00 0.00 C ATOM 1866 CD GLN B 645 -4.844 -22.018 -9.783 1.00 0.00 C ATOM 1867 OE1 GLN B 645 -5.470 -22.748 -10.551 1.00 0.00 O ATOM 1868 NE2 GLN B 645 -4.175 -22.487 -8.735 1.00 0.00 N ATOM 0 H GLN B 645 -2.711 -18.710 -9.240 1.00 0.00 H new ATOM 0 HA GLN B 645 -2.105 -21.282 -10.500 1.00 0.00 H new ATOM 0 HB2 GLN B 645 -4.010 -19.076 -11.365 1.00 0.00 H new ATOM 0 HB3 GLN B 645 -3.972 -20.724 -11.958 1.00 0.00 H new ATOM 0 HG2 GLN B 645 -4.537 -20.029 -9.059 1.00 0.00 H new ATOM 0 HG3 GLN B 645 -5.797 -20.166 -10.269 1.00 0.00 H new ATOM 0 HE21 GLN B 645 -3.669 -21.846 -8.124 1.00 0.00 H new ATOM 0 HE22 GLN B 645 -4.167 -23.488 -8.542 1.00 0.00 H new ATOM 1875 N GLY B 646 -1.699 -18.418 -12.119 1.00 0.00 N ATOM 1876 CA GLY B 646 -0.893 -17.781 -13.143 1.00 0.00 C ATOM 1877 C GLY B 646 -1.648 -17.600 -14.445 1.00 0.00 C ATOM 1878 O GLY B 646 -1.269 -16.779 -15.281 1.00 0.00 O ATOM 0 H GLY B 646 -2.455 -17.842 -11.749 1.00 0.00 H new ATOM 0 HA2 GLY B 646 -0.556 -16.809 -12.784 1.00 0.00 H new ATOM 0 HA3 GLY B 646 -0.001 -18.380 -13.324 1.00 0.00 H new ATOM 1882 N ASP B 647 -2.719 -18.366 -14.618 1.00 0.00 N ATOM 1883 CA ASP B 647 -3.529 -18.286 -15.828 1.00 0.00 C ATOM 1884 C ASP B 647 -4.754 -17.406 -15.604 1.00 0.00 C ATOM 1885 O ASP B 647 -5.778 -17.566 -16.269 1.00 0.00 O ATOM 1886 CB ASP B 647 -3.964 -19.685 -16.269 1.00 0.00 C ATOM 1887 CG ASP B 647 -3.516 -20.012 -17.680 1.00 0.00 C ATOM 1888 OD1 ASP B 647 -2.319 -20.313 -17.868 1.00 0.00 O ATOM 1889 OD2 ASP B 647 -4.364 -19.969 -18.597 1.00 0.00 O ATOM 0 H ASP B 647 -3.047 -19.050 -13.936 1.00 0.00 H new ATOM 0 HA ASP B 647 -2.921 -17.838 -16.614 1.00 0.00 H new ATOM 0 HB2 ASP B 647 -3.554 -20.424 -15.580 1.00 0.00 H new ATOM 0 HB3 ASP B 647 -5.050 -19.761 -16.209 1.00 0.00 H new ATOM 1893 N THR B 648 -4.643 -16.474 -14.661 1.00 0.00 N ATOM 1894 CA THR B 648 -5.742 -15.570 -14.347 1.00 0.00 C ATOM 1895 C THR B 648 -5.340 -14.116 -14.575 1.00 0.00 C ATOM 1896 O THR B 648 -6.171 -13.280 -14.922 1.00 0.00 O ATOM 1897 CB THR B 648 -6.211 -15.739 -12.891 1.00 0.00 C ATOM 1898 OG1 THR B 648 -5.081 -15.755 -12.011 1.00 0.00 O ATOM 1899 CG2 THR B 648 -7.007 -17.023 -12.724 1.00 0.00 C ATOM 0 H THR B 648 -3.803 -16.326 -14.102 1.00 0.00 H new ATOM 0 HA THR B 648 -6.563 -15.827 -15.016 1.00 0.00 H new ATOM 0 HB THR B 648 -6.855 -14.896 -12.640 1.00 0.00 H new ATOM 0 HG1 THR B 648 -5.144 -16.528 -11.412 1.00 0.00 H new ATOM 0 HG21 THR B 648 -7.327 -17.120 -11.687 1.00 0.00 H new ATOM 0 HG22 THR B 648 -7.882 -16.996 -13.373 1.00 0.00 H new ATOM 0 HG23 THR B 648 -6.383 -17.875 -12.992 1.00 0.00 H new ATOM 1907 N GLY B 649 -4.058 -13.824 -14.376 1.00 0.00 N ATOM 1908 CA GLY B 649 -3.568 -12.471 -14.565 1.00 0.00 C ATOM 1909 C GLY B 649 -2.183 -12.270 -13.982 1.00 0.00 C ATOM 1910 O GLY B 649 -1.214 -12.872 -14.444 1.00 0.00 O ATOM 0 H GLY B 649 -3.351 -14.500 -14.087 1.00 0.00 H new ATOM 0 HA2 GLY B 649 -3.548 -12.241 -15.630 1.00 0.00 H new ATOM 0 HA3 GLY B 649 -4.260 -11.769 -14.100 1.00 0.00 H new ATOM 1914 N ILE B 650 -2.089 -11.419 -12.965 1.00 0.00 N ATOM 1915 CA ILE B 650 -0.812 -11.140 -12.319 1.00 0.00 C ATOM 1916 C ILE B 650 -0.137 -12.427 -11.857 1.00 0.00 C ATOM 1917 O ILE B 650 -0.799 -13.362 -11.406 1.00 0.00 O ATOM 1918 CB ILE B 650 -0.986 -10.202 -11.111 1.00 0.00 C ATOM 1919 CG1 ILE B 650 -1.610 -8.877 -11.552 1.00 0.00 C ATOM 1920 CG2 ILE B 650 0.352 -9.963 -10.428 1.00 0.00 C ATOM 1921 CD1 ILE B 650 -1.793 -7.889 -10.421 1.00 0.00 C ATOM 0 H ILE B 650 -2.881 -10.911 -12.571 1.00 0.00 H new ATOM 0 HA ILE B 650 -0.183 -10.649 -13.062 1.00 0.00 H new ATOM 0 HB ILE B 650 -1.657 -10.677 -10.395 1.00 0.00 H new ATOM 0 HG12 ILE B 650 -0.981 -8.426 -12.319 1.00 0.00 H new ATOM 0 HG13 ILE B 650 -2.579 -9.076 -12.010 1.00 0.00 H new ATOM 0 HG21 ILE B 650 0.212 -9.298 -9.576 1.00 0.00 H new ATOM 0 HG22 ILE B 650 0.759 -10.913 -10.083 1.00 0.00 H new ATOM 0 HG23 ILE B 650 1.045 -9.506 -11.135 1.00 0.00 H new ATOM 0 HD11 ILE B 650 -2.240 -6.973 -10.807 1.00 0.00 H new ATOM 0 HD12 ILE B 650 -2.447 -8.321 -9.663 1.00 0.00 H new ATOM 0 HD13 ILE B 650 -0.824 -7.661 -9.977 1.00 0.00 H new ATOM 1932 N THR B 651 1.188 -12.467 -11.970 1.00 0.00 N ATOM 1933 CA THR B 651 1.954 -13.638 -11.564 1.00 0.00 C ATOM 1934 C THR B 651 2.509 -13.470 -10.154 1.00 0.00 C ATOM 1935 O THR B 651 2.429 -12.388 -9.570 1.00 0.00 O ATOM 1936 CB THR B 651 3.119 -13.911 -12.533 1.00 0.00 C ATOM 1937 OG1 THR B 651 2.859 -13.294 -13.798 1.00 0.00 O ATOM 1938 CG2 THR B 651 3.324 -15.406 -12.725 1.00 0.00 C ATOM 0 H THR B 651 1.752 -11.701 -12.339 1.00 0.00 H new ATOM 0 HA THR B 651 1.269 -14.486 -11.583 1.00 0.00 H new ATOM 0 HB THR B 651 4.027 -13.488 -12.103 1.00 0.00 H new ATOM 0 HG1 THR B 651 3.605 -13.471 -14.408 1.00 0.00 H new ATOM 0 HG21 THR B 651 4.152 -15.574 -13.413 1.00 0.00 H new ATOM 0 HG22 THR B 651 3.551 -15.868 -11.764 1.00 0.00 H new ATOM 0 HG23 THR B 651 2.416 -15.848 -13.135 1.00 0.00 H new ATOM 1946 N TYR B 652 3.074 -14.543 -9.613 1.00 0.00 N ATOM 1947 CA TYR B 652 3.642 -14.514 -8.270 1.00 0.00 C ATOM 1948 C TYR B 652 4.824 -13.554 -8.200 1.00 0.00 C ATOM 1949 O TYR B 652 4.996 -12.835 -7.215 1.00 0.00 O ATOM 1950 CB TYR B 652 4.083 -15.917 -7.850 1.00 0.00 C ATOM 1951 CG TYR B 652 5.168 -16.498 -8.729 1.00 0.00 C ATOM 1952 CD1 TYR B 652 4.849 -17.210 -9.880 1.00 0.00 C ATOM 1953 CD2 TYR B 652 6.510 -16.338 -8.408 1.00 0.00 C ATOM 1954 CE1 TYR B 652 5.837 -17.744 -10.685 1.00 0.00 C ATOM 1955 CE2 TYR B 652 7.503 -16.868 -9.209 1.00 0.00 C ATOM 1956 CZ TYR B 652 7.162 -17.570 -10.346 1.00 0.00 C ATOM 1957 OH TYR B 652 8.149 -18.099 -11.144 1.00 0.00 O ATOM 0 H TYR B 652 3.151 -15.445 -10.084 1.00 0.00 H new ATOM 0 HA TYR B 652 2.871 -14.163 -7.584 1.00 0.00 H new ATOM 0 HB2 TYR B 652 4.440 -15.884 -6.821 1.00 0.00 H new ATOM 0 HB3 TYR B 652 3.219 -16.581 -7.867 1.00 0.00 H new ATOM 0 HD1 TYR B 652 3.812 -17.348 -10.149 1.00 0.00 H new ATOM 0 HD2 TYR B 652 6.782 -15.790 -7.518 1.00 0.00 H new ATOM 0 HE1 TYR B 652 5.573 -18.295 -11.575 1.00 0.00 H new ATOM 0 HE2 TYR B 652 8.542 -16.733 -8.946 1.00 0.00 H new ATOM 0 HH TYR B 652 9.027 -17.885 -10.764 1.00 0.00 H new ATOM 1966 N GLN B 653 5.637 -13.548 -9.252 1.00 0.00 N ATOM 1967 CA GLN B 653 6.805 -12.676 -9.310 1.00 0.00 C ATOM 1968 C GLN B 653 6.391 -11.229 -9.556 1.00 0.00 C ATOM 1969 O GLN B 653 6.939 -10.306 -8.953 1.00 0.00 O ATOM 1970 CB GLN B 653 7.759 -13.140 -10.412 1.00 0.00 C ATOM 1971 CG GLN B 653 7.124 -13.175 -11.793 1.00 0.00 C ATOM 1972 CD GLN B 653 8.050 -13.747 -12.847 1.00 0.00 C ATOM 1973 OE1 GLN B 653 9.207 -14.063 -12.568 1.00 0.00 O ATOM 1974 NE2 GLN B 653 7.546 -13.885 -14.067 1.00 0.00 N ATOM 0 H GLN B 653 5.509 -14.137 -10.075 1.00 0.00 H new ATOM 0 HA GLN B 653 7.317 -12.730 -8.349 1.00 0.00 H new ATOM 0 HB2 GLN B 653 8.623 -12.476 -10.436 1.00 0.00 H new ATOM 0 HB3 GLN B 653 8.128 -14.136 -10.166 1.00 0.00 H new ATOM 0 HG2 GLN B 653 6.212 -13.771 -11.754 1.00 0.00 H new ATOM 0 HG3 GLN B 653 6.833 -12.165 -12.080 1.00 0.00 H new ATOM 0 HE21 GLN B 653 6.582 -13.610 -14.255 1.00 0.00 H new ATOM 0 HE22 GLN B 653 8.123 -14.266 -14.817 1.00 0.00 H new ATOM 1981 N ALA B 654 5.422 -11.037 -10.446 1.00 0.00 N ATOM 1982 CA ALA B 654 4.935 -9.703 -10.769 1.00 0.00 C ATOM 1983 C ALA B 654 4.197 -9.086 -9.586 1.00 0.00 C ATOM 1984 O ALA B 654 4.395 -7.916 -9.261 1.00 0.00 O ATOM 1985 CB ALA B 654 4.029 -9.753 -11.991 1.00 0.00 C ATOM 0 H ALA B 654 4.959 -11.790 -10.956 1.00 0.00 H new ATOM 0 HA ALA B 654 5.796 -9.074 -10.994 1.00 0.00 H new ATOM 0 HB1 ALA B 654 3.672 -8.749 -12.221 1.00 0.00 H new ATOM 0 HB2 ALA B 654 4.587 -10.144 -12.842 1.00 0.00 H new ATOM 0 HB3 ALA B 654 3.178 -10.402 -11.787 1.00 0.00 H new ATOM 1991 N TRP B 655 3.345 -9.880 -8.947 1.00 0.00 N ATOM 1992 CA TRP B 655 2.576 -9.411 -7.800 1.00 0.00 C ATOM 1993 C TRP B 655 3.500 -8.958 -6.674 1.00 0.00 C ATOM 1994 O TRP B 655 3.223 -7.973 -5.991 1.00 0.00 O ATOM 1995 CB TRP B 655 1.644 -10.514 -7.299 1.00 0.00 C ATOM 1996 CG TRP B 655 0.672 -10.046 -6.259 1.00 0.00 C ATOM 1997 CD1 TRP B 655 -0.635 -9.698 -6.455 1.00 0.00 C ATOM 1998 CD2 TRP B 655 0.931 -9.868 -4.863 1.00 0.00 C ATOM 1999 NE1 TRP B 655 -1.203 -9.317 -5.264 1.00 0.00 N ATOM 2000 CE2 TRP B 655 -0.265 -9.413 -4.272 1.00 0.00 C ATOM 2001 CE3 TRP B 655 2.054 -10.052 -4.053 1.00 0.00 C ATOM 2002 CZ2 TRP B 655 -0.364 -9.139 -2.910 1.00 0.00 C ATOM 2003 CZ3 TRP B 655 1.955 -9.780 -2.702 1.00 0.00 C ATOM 2004 CH2 TRP B 655 0.752 -9.328 -2.141 1.00 0.00 C ATOM 0 H TRP B 655 3.169 -10.851 -9.204 1.00 0.00 H new ATOM 0 HA TRP B 655 1.978 -8.558 -8.120 1.00 0.00 H new ATOM 0 HB2 TRP B 655 1.091 -10.924 -8.144 1.00 0.00 H new ATOM 0 HB3 TRP B 655 2.243 -11.326 -6.886 1.00 0.00 H new ATOM 0 HD1 TRP B 655 -1.146 -9.719 -7.406 1.00 0.00 H new ATOM 0 HE1 TRP B 655 -2.168 -9.012 -5.139 1.00 0.00 H new ATOM 0 HE3 TRP B 655 2.984 -10.401 -4.476 1.00 0.00 H new ATOM 0 HZ2 TRP B 655 -1.289 -8.790 -2.476 1.00 0.00 H new ATOM 0 HZ3 TRP B 655 2.818 -9.918 -2.068 1.00 0.00 H new ATOM 0 HH2 TRP B 655 0.705 -9.125 -1.081 1.00 0.00 H new ATOM 2014 N GLN B 656 4.596 -9.686 -6.487 1.00 0.00 N ATOM 2015 CA GLN B 656 5.559 -9.359 -5.442 1.00 0.00 C ATOM 2016 C GLN B 656 6.066 -7.929 -5.597 1.00 0.00 C ATOM 2017 O GLN B 656 5.966 -7.121 -4.674 1.00 0.00 O ATOM 2018 CB GLN B 656 6.736 -10.335 -5.478 1.00 0.00 C ATOM 2019 CG GLN B 656 6.433 -11.678 -4.834 1.00 0.00 C ATOM 2020 CD GLN B 656 6.948 -11.772 -3.411 1.00 0.00 C ATOM 2021 OE1 GLN B 656 6.888 -10.804 -2.651 1.00 0.00 O ATOM 2022 NE2 GLN B 656 7.458 -12.942 -3.043 1.00 0.00 N ATOM 0 H GLN B 656 4.839 -10.505 -7.044 1.00 0.00 H new ATOM 0 HA GLN B 656 5.054 -9.445 -4.480 1.00 0.00 H new ATOM 0 HB2 GLN B 656 7.031 -10.497 -6.515 1.00 0.00 H new ATOM 0 HB3 GLN B 656 7.588 -9.882 -4.971 1.00 0.00 H new ATOM 0 HG2 GLN B 656 5.356 -11.844 -4.838 1.00 0.00 H new ATOM 0 HG3 GLN B 656 6.880 -12.472 -5.432 1.00 0.00 H new ATOM 0 HE21 GLN B 656 7.487 -13.717 -3.706 1.00 0.00 H new ATOM 0 HE22 GLN B 656 7.820 -13.066 -2.098 1.00 0.00 H new ATOM 2029 N ALA B 657 6.609 -7.622 -6.770 1.00 0.00 N ATOM 2030 CA ALA B 657 7.130 -6.289 -7.047 1.00 0.00 C ATOM 2031 C ALA B 657 6.001 -5.268 -7.140 1.00 0.00 C ATOM 2032 O ALA B 657 6.110 -4.160 -6.613 1.00 0.00 O ATOM 2033 CB ALA B 657 7.943 -6.297 -8.333 1.00 0.00 C ATOM 0 H ALA B 657 6.700 -8.279 -7.545 1.00 0.00 H new ATOM 0 HA ALA B 657 7.780 -6.000 -6.221 1.00 0.00 H new ATOM 0 HB1 ALA B 657 8.326 -5.295 -8.528 1.00 0.00 H new ATOM 0 HB2 ALA B 657 8.777 -6.991 -8.232 1.00 0.00 H new ATOM 0 HB3 ALA B 657 7.309 -6.610 -9.162 1.00 0.00 H new ATOM 2039 N GLN B 658 4.919 -5.647 -7.811 1.00 0.00 N ATOM 2040 CA GLN B 658 3.771 -4.762 -7.972 1.00 0.00 C ATOM 2041 C GLN B 658 3.248 -4.295 -6.617 1.00 0.00 C ATOM 2042 O GLN B 658 3.035 -3.103 -6.400 1.00 0.00 O ATOM 2043 CB GLN B 658 2.658 -5.471 -8.744 1.00 0.00 C ATOM 2044 CG GLN B 658 2.742 -5.276 -10.250 1.00 0.00 C ATOM 2045 CD GLN B 658 1.678 -6.053 -11.000 1.00 0.00 C ATOM 2046 OE1 GLN B 658 0.548 -5.589 -11.156 1.00 0.00 O ATOM 2047 NE2 GLN B 658 2.034 -7.243 -11.469 1.00 0.00 N ATOM 0 H GLN B 658 4.813 -6.561 -8.252 1.00 0.00 H new ATOM 0 HA GLN B 658 4.095 -3.888 -8.536 1.00 0.00 H new ATOM 0 HB2 GLN B 658 2.695 -6.537 -8.521 1.00 0.00 H new ATOM 0 HB3 GLN B 658 1.693 -5.106 -8.392 1.00 0.00 H new ATOM 0 HG2 GLN B 658 2.643 -4.215 -10.481 1.00 0.00 H new ATOM 0 HG3 GLN B 658 3.727 -5.587 -10.598 1.00 0.00 H new ATOM 0 HE21 GLN B 658 2.981 -7.589 -11.317 1.00 0.00 H new ATOM 0 HE22 GLN B 658 1.360 -7.812 -11.982 1.00 0.00 H new ATOM 2054 N TRP B 659 3.044 -5.244 -5.709 1.00 0.00 N ATOM 2055 CA TRP B 659 2.546 -4.930 -4.375 1.00 0.00 C ATOM 2056 C TRP B 659 3.492 -3.977 -3.652 1.00 0.00 C ATOM 2057 O TRP B 659 3.101 -2.879 -3.260 1.00 0.00 O ATOM 2058 CB TRP B 659 2.371 -6.212 -3.559 1.00 0.00 C ATOM 2059 CG TRP B 659 1.873 -5.966 -2.167 1.00 0.00 C ATOM 2060 CD1 TRP B 659 2.615 -5.949 -1.022 1.00 0.00 C ATOM 2061 CD2 TRP B 659 0.520 -5.705 -1.775 1.00 0.00 C ATOM 2062 NE1 TRP B 659 1.808 -5.692 0.060 1.00 0.00 N ATOM 2063 CE2 TRP B 659 0.518 -5.539 -0.376 1.00 0.00 C ATOM 2064 CE3 TRP B 659 -0.688 -5.593 -2.468 1.00 0.00 C ATOM 2065 CZ2 TRP B 659 -0.646 -5.267 0.339 1.00 0.00 C ATOM 2066 CZ3 TRP B 659 -1.841 -5.325 -1.757 1.00 0.00 C ATOM 2067 CH2 TRP B 659 -1.815 -5.164 -0.365 1.00 0.00 C ATOM 0 H TRP B 659 3.216 -6.236 -5.873 1.00 0.00 H new ATOM 0 HA TRP B 659 1.578 -4.440 -4.481 1.00 0.00 H new ATOM 0 HB2 TRP B 659 1.673 -6.871 -4.076 1.00 0.00 H new ATOM 0 HB3 TRP B 659 3.326 -6.735 -3.509 1.00 0.00 H new ATOM 0 HD1 TRP B 659 3.681 -6.114 -0.973 1.00 0.00 H new ATOM 0 HE1 TRP B 659 2.118 -5.626 1.029 1.00 0.00 H new ATOM 0 HE3 TRP B 659 -0.719 -5.714 -3.541 1.00 0.00 H new ATOM 0 HZ2 TRP B 659 -0.627 -5.142 1.412 1.00 0.00 H new ATOM 0 HZ3 TRP B 659 -2.780 -5.238 -2.283 1.00 0.00 H new ATOM 0 HH2 TRP B 659 -2.734 -4.955 0.162 1.00 0.00 H new ATOM 2077 N ASN B 660 4.737 -4.406 -3.477 1.00 0.00 N ATOM 2078 CA ASN B 660 5.739 -3.591 -2.799 1.00 0.00 C ATOM 2079 C ASN B 660 5.808 -2.195 -3.411 1.00 0.00 C ATOM 2080 O ASN B 660 5.768 -1.192 -2.699 1.00 0.00 O ATOM 2081 CB ASN B 660 7.111 -4.263 -2.876 1.00 0.00 C ATOM 2082 CG ASN B 660 8.221 -3.374 -2.348 1.00 0.00 C ATOM 2083 OD1 ASN B 660 7.990 -2.510 -1.501 1.00 0.00 O ATOM 2084 ND2 ASN B 660 9.434 -3.581 -2.848 1.00 0.00 N ATOM 0 H ASN B 660 5.077 -5.314 -3.795 1.00 0.00 H new ATOM 0 HA ASN B 660 5.448 -3.496 -1.753 1.00 0.00 H new ATOM 0 HB2 ASN B 660 7.090 -5.191 -2.305 1.00 0.00 H new ATOM 0 HB3 ASN B 660 7.324 -4.530 -3.911 1.00 0.00 H new ATOM 0 HD21 ASN B 660 10.220 -3.013 -2.532 1.00 0.00 H new ATOM 0 HD22 ASN B 660 9.580 -4.308 -3.548 1.00 0.00 H new ATOM 2090 N GLN B 661 5.913 -2.140 -4.735 1.00 0.00 N ATOM 2091 CA GLN B 661 5.988 -0.867 -5.442 1.00 0.00 C ATOM 2092 C GLN B 661 4.740 -0.027 -5.187 1.00 0.00 C ATOM 2093 O GLN B 661 4.809 1.199 -5.113 1.00 0.00 O ATOM 2094 CB GLN B 661 6.159 -1.103 -6.944 1.00 0.00 C ATOM 2095 CG GLN B 661 7.539 -1.614 -7.325 1.00 0.00 C ATOM 2096 CD GLN B 661 8.611 -0.550 -7.199 1.00 0.00 C ATOM 2097 OE1 GLN B 661 9.263 -0.429 -6.162 1.00 0.00 O ATOM 2098 NE2 GLN B 661 8.799 0.230 -8.257 1.00 0.00 N ATOM 0 H GLN B 661 5.948 -2.961 -5.339 1.00 0.00 H new ATOM 0 HA GLN B 661 6.854 -0.322 -5.065 1.00 0.00 H new ATOM 0 HB2 GLN B 661 5.410 -1.820 -7.278 1.00 0.00 H new ATOM 0 HB3 GLN B 661 5.967 -0.170 -7.474 1.00 0.00 H new ATOM 0 HG2 GLN B 661 7.797 -2.461 -6.689 1.00 0.00 H new ATOM 0 HG3 GLN B 661 7.516 -1.981 -8.351 1.00 0.00 H new ATOM 0 HE21 GLN B 661 8.236 0.095 -9.097 1.00 0.00 H new ATOM 0 HE22 GLN B 661 9.506 0.964 -8.230 1.00 0.00 H new ATOM 2105 N ALA B 662 3.599 -0.697 -5.053 1.00 0.00 N ATOM 2106 CA ALA B 662 2.337 -0.013 -4.804 1.00 0.00 C ATOM 2107 C ALA B 662 2.334 0.651 -3.431 1.00 0.00 C ATOM 2108 O ALA B 662 2.086 1.851 -3.312 1.00 0.00 O ATOM 2109 CB ALA B 662 1.176 -0.989 -4.923 1.00 0.00 C ATOM 0 H ALA B 662 3.524 -1.712 -5.113 1.00 0.00 H new ATOM 0 HA ALA B 662 2.220 0.767 -5.556 1.00 0.00 H new ATOM 0 HB1 ALA B 662 0.239 -0.465 -4.735 1.00 0.00 H new ATOM 0 HB2 ALA B 662 1.159 -1.413 -5.927 1.00 0.00 H new ATOM 0 HB3 ALA B 662 1.297 -1.789 -4.193 1.00 0.00 H new ATOM 2115 N MET B 663 2.609 -0.137 -2.397 1.00 0.00 N ATOM 2116 CA MET B 663 2.638 0.376 -1.032 1.00 0.00 C ATOM 2117 C MET B 663 3.630 1.527 -0.905 1.00 0.00 C ATOM 2118 O MET B 663 3.339 2.542 -0.274 1.00 0.00 O ATOM 2119 CB MET B 663 3.006 -0.740 -0.052 1.00 0.00 C ATOM 2120 CG MET B 663 2.135 -1.978 -0.188 1.00 0.00 C ATOM 2121 SD MET B 663 0.382 -1.624 0.039 1.00 0.00 S ATOM 2122 CE MET B 663 0.376 -1.003 1.718 1.00 0.00 C ATOM 0 H MET B 663 2.815 -1.133 -2.478 1.00 0.00 H new ATOM 0 HA MET B 663 1.643 0.749 -0.790 1.00 0.00 H new ATOM 0 HB2 MET B 663 4.048 -1.020 -0.207 1.00 0.00 H new ATOM 0 HB3 MET B 663 2.926 -0.359 0.966 1.00 0.00 H new ATOM 0 HG2 MET B 663 2.288 -2.418 -1.173 1.00 0.00 H new ATOM 0 HG3 MET B 663 2.449 -2.721 0.545 1.00 0.00 H new ATOM 0 HE1 MET B 663 -0.607 -0.593 1.951 1.00 0.00 H new ATOM 0 HE2 MET B 663 0.602 -1.816 2.408 1.00 0.00 H new ATOM 0 HE3 MET B 663 1.129 -0.221 1.820 1.00 0.00 H new ATOM 2130 N GLU B 664 4.803 1.361 -1.508 1.00 0.00 N ATOM 2131 CA GLU B 664 5.838 2.387 -1.461 1.00 0.00 C ATOM 2132 C GLU B 664 5.284 3.740 -1.898 1.00 0.00 C ATOM 2133 O GLU B 664 5.371 4.726 -1.165 1.00 0.00 O ATOM 2134 CB GLU B 664 7.019 1.995 -2.351 1.00 0.00 C ATOM 2135 CG GLU B 664 8.217 2.919 -2.215 1.00 0.00 C ATOM 2136 CD GLU B 664 9.533 2.166 -2.194 1.00 0.00 C ATOM 2137 OE1 GLU B 664 10.108 1.942 -3.279 1.00 0.00 O ATOM 2138 OE2 GLU B 664 9.989 1.803 -1.089 1.00 0.00 O ATOM 0 H GLU B 664 5.060 0.526 -2.035 1.00 0.00 H new ATOM 0 HA GLU B 664 6.182 2.471 -0.430 1.00 0.00 H new ATOM 0 HB2 GLU B 664 7.326 0.978 -2.106 1.00 0.00 H new ATOM 0 HB3 GLU B 664 6.693 1.988 -3.391 1.00 0.00 H new ATOM 0 HG2 GLU B 664 8.221 3.628 -3.043 1.00 0.00 H new ATOM 0 HG3 GLU B 664 8.121 3.501 -1.298 1.00 0.00 H new ATOM 2143 N ASP B 665 4.715 3.779 -3.098 1.00 0.00 N ATOM 2144 CA ASP B 665 4.146 5.010 -3.635 1.00 0.00 C ATOM 2145 C ASP B 665 2.882 5.401 -2.874 1.00 0.00 C ATOM 2146 O ASP B 665 2.540 6.580 -2.783 1.00 0.00 O ATOM 2147 CB ASP B 665 3.831 4.844 -5.123 1.00 0.00 C ATOM 2148 CG ASP B 665 3.425 6.151 -5.777 1.00 0.00 C ATOM 2149 OD1 ASP B 665 3.760 7.220 -5.225 1.00 0.00 O ATOM 2150 OD2 ASP B 665 2.773 6.104 -6.841 1.00 0.00 O ATOM 0 H ASP B 665 4.635 2.972 -3.717 1.00 0.00 H new ATOM 0 HA ASP B 665 4.881 5.805 -3.514 1.00 0.00 H new ATOM 0 HB2 ASP B 665 4.706 4.441 -5.634 1.00 0.00 H new ATOM 0 HB3 ASP B 665 3.029 4.116 -5.243 1.00 0.00 H new ATOM 2154 N LEU B 666 2.192 4.403 -2.332 1.00 0.00 N ATOM 2155 CA LEU B 666 0.965 4.643 -1.580 1.00 0.00 C ATOM 2156 C LEU B 666 1.255 5.408 -0.293 1.00 0.00 C ATOM 2157 O LEU B 666 0.478 6.268 0.119 1.00 0.00 O ATOM 2158 CB LEU B 666 0.277 3.316 -1.255 1.00 0.00 C ATOM 2159 CG LEU B 666 -0.280 3.179 0.163 1.00 0.00 C ATOM 2160 CD1 LEU B 666 -1.455 4.123 0.369 1.00 0.00 C ATOM 2161 CD2 LEU B 666 -0.695 1.741 0.436 1.00 0.00 C ATOM 0 H LEU B 666 2.461 3.421 -2.399 1.00 0.00 H new ATOM 0 HA LEU B 666 0.301 5.248 -2.197 1.00 0.00 H new ATOM 0 HB2 LEU B 666 -0.541 3.171 -1.961 1.00 0.00 H new ATOM 0 HB3 LEU B 666 0.990 2.509 -1.423 1.00 0.00 H new ATOM 0 HG LEU B 666 0.505 3.450 0.869 1.00 0.00 H new ATOM 0 HD11 LEU B 666 -1.838 4.011 1.383 1.00 0.00 H new ATOM 0 HD12 LEU B 666 -1.127 5.151 0.216 1.00 0.00 H new ATOM 0 HD13 LEU B 666 -2.243 3.884 -0.345 1.00 0.00 H new ATOM 0 HD21 LEU B 666 -1.089 1.662 1.449 1.00 0.00 H new ATOM 0 HD22 LEU B 666 -1.464 1.443 -0.277 1.00 0.00 H new ATOM 0 HD23 LEU B 666 0.170 1.086 0.331 1.00 0.00 H new ATOM 2172 N VAL B 667 2.382 5.089 0.338 1.00 0.00 N ATOM 2173 CA VAL B 667 2.777 5.748 1.576 1.00 0.00 C ATOM 2174 C VAL B 667 3.220 7.184 1.318 1.00 0.00 C ATOM 2175 O VAL B 667 2.746 8.116 1.967 1.00 0.00 O ATOM 2176 CB VAL B 667 3.920 4.988 2.276 1.00 0.00 C ATOM 2177 CG1 VAL B 667 4.238 5.623 3.622 1.00 0.00 C ATOM 2178 CG2 VAL B 667 3.559 3.519 2.442 1.00 0.00 C ATOM 0 H VAL B 667 3.036 4.378 0.011 1.00 0.00 H new ATOM 0 HA VAL B 667 1.901 5.752 2.225 1.00 0.00 H new ATOM 0 HB VAL B 667 4.811 5.051 1.652 1.00 0.00 H new ATOM 0 HG11 VAL B 667 5.048 5.073 4.102 1.00 0.00 H new ATOM 0 HG12 VAL B 667 4.542 6.659 3.473 1.00 0.00 H new ATOM 0 HG13 VAL B 667 3.353 5.593 4.257 1.00 0.00 H new ATOM 0 HG21 VAL B 667 4.377 2.997 2.938 1.00 0.00 H new ATOM 0 HG22 VAL B 667 2.655 3.432 3.045 1.00 0.00 H new ATOM 0 HG23 VAL B 667 3.386 3.074 1.462 1.00 0.00 H new ATOM 2188 N ARG B 668 4.130 7.354 0.365 1.00 0.00 N ATOM 2189 CA ARG B 668 4.638 8.677 0.021 1.00 0.00 C ATOM 2190 C ARG B 668 3.491 9.639 -0.274 1.00 0.00 C ATOM 2191 O ARG B 668 3.577 10.831 0.018 1.00 0.00 O ATOM 2192 CB ARG B 668 5.570 8.590 -1.188 1.00 0.00 C ATOM 2193 CG ARG B 668 6.891 7.899 -0.892 1.00 0.00 C ATOM 2194 CD ARG B 668 7.581 7.444 -2.169 1.00 0.00 C ATOM 2195 NE ARG B 668 8.865 8.112 -2.364 1.00 0.00 N ATOM 2196 CZ ARG B 668 9.959 7.819 -1.669 1.00 0.00 C ATOM 2197 NH1 ARG B 668 9.926 6.874 -0.740 1.00 0.00 N ATOM 2198 NH2 ARG B 668 11.090 8.471 -1.906 1.00 0.00 N ATOM 0 H ARG B 668 4.531 6.593 -0.183 1.00 0.00 H new ATOM 0 HA ARG B 668 5.198 9.058 0.875 1.00 0.00 H new ATOM 0 HB2 ARG B 668 5.062 8.055 -1.990 1.00 0.00 H new ATOM 0 HB3 ARG B 668 5.771 9.597 -1.554 1.00 0.00 H new ATOM 0 HG2 ARG B 668 7.545 8.580 -0.347 1.00 0.00 H new ATOM 0 HG3 ARG B 668 6.716 7.039 -0.246 1.00 0.00 H new ATOM 0 HD2 ARG B 668 7.735 6.366 -2.134 1.00 0.00 H new ATOM 0 HD3 ARG B 668 6.934 7.646 -3.023 1.00 0.00 H new ATOM 0 HE ARG B 668 8.925 8.843 -3.072 1.00 0.00 H new ATOM 0 HH11 ARG B 668 9.059 6.369 -0.557 1.00 0.00 H new ATOM 0 HH12 ARG B 668 10.768 6.652 -0.208 1.00 0.00 H new ATOM 0 HH21 ARG B 668 11.120 9.197 -2.622 1.00 0.00 H new ATOM 0 HH22 ARG B 668 11.930 8.246 -1.372 1.00 0.00 H new ATOM 2209 N ALA B 669 2.419 9.112 -0.857 1.00 0.00 N ATOM 2210 CA ALA B 669 1.254 9.923 -1.190 1.00 0.00 C ATOM 2211 C ALA B 669 0.713 10.640 0.042 1.00 0.00 C ATOM 2212 O ALA B 669 0.133 11.722 -0.061 1.00 0.00 O ATOM 2213 CB ALA B 669 0.171 9.059 -1.819 1.00 0.00 C ATOM 0 H ALA B 669 2.333 8.127 -1.108 1.00 0.00 H new ATOM 0 HA ALA B 669 1.564 10.680 -1.911 1.00 0.00 H new ATOM 0 HB1 ALA B 669 -0.693 9.678 -2.062 1.00 0.00 H new ATOM 0 HB2 ALA B 669 0.556 8.599 -2.729 1.00 0.00 H new ATOM 0 HB3 ALA B 669 -0.127 8.280 -1.117 1.00 0.00 H new ATOM 2219 N TYR B 670 0.905 10.030 1.207 1.00 0.00 N ATOM 2220 CA TYR B 670 0.432 10.610 2.459 1.00 0.00 C ATOM 2221 C TYR B 670 1.454 11.591 3.025 1.00 0.00 C ATOM 2222 O TYR B 670 1.124 12.735 3.341 1.00 0.00 O ATOM 2223 CB TYR B 670 0.150 9.506 3.480 1.00 0.00 C ATOM 2224 CG TYR B 670 -0.547 10.000 4.728 1.00 0.00 C ATOM 2225 CD1 TYR B 670 0.146 10.715 5.697 1.00 0.00 C ATOM 2226 CD2 TYR B 670 -1.898 9.753 4.937 1.00 0.00 C ATOM 2227 CE1 TYR B 670 -0.486 11.167 6.839 1.00 0.00 C ATOM 2228 CE2 TYR B 670 -2.538 10.203 6.077 1.00 0.00 C ATOM 2229 CZ TYR B 670 -1.828 10.909 7.024 1.00 0.00 C ATOM 2230 OH TYR B 670 -2.461 11.360 8.159 1.00 0.00 O ATOM 0 H TYR B 670 1.384 9.135 1.310 1.00 0.00 H new ATOM 0 HA TYR B 670 -0.491 11.153 2.254 1.00 0.00 H new ATOM 0 HB2 TYR B 670 -0.464 8.737 3.011 1.00 0.00 H new ATOM 0 HB3 TYR B 670 1.091 9.034 3.762 1.00 0.00 H new ATOM 0 HD1 TYR B 670 1.197 10.921 5.555 1.00 0.00 H new ATOM 0 HD2 TYR B 670 -2.458 9.200 4.197 1.00 0.00 H new ATOM 0 HE1 TYR B 670 0.068 11.720 7.583 1.00 0.00 H new ATOM 0 HE2 TYR B 670 -3.589 10.002 6.225 1.00 0.00 H new ATOM 0 HH TYR B 670 -3.404 11.096 8.134 1.00 0.00 H new ATOM 2239 N HIS B 671 2.697 11.136 3.149 1.00 0.00 N ATOM 2240 CA HIS B 671 3.769 11.975 3.675 1.00 0.00 C ATOM 2241 C HIS B 671 3.892 13.267 2.874 1.00 0.00 C ATOM 2242 O HIS B 671 4.359 14.283 3.385 1.00 0.00 O ATOM 2243 CB HIS B 671 5.097 11.217 3.649 1.00 0.00 C ATOM 2244 CG HIS B 671 5.309 10.340 4.845 1.00 0.00 C ATOM 2245 ND1 HIS B 671 6.318 10.550 5.762 1.00 0.00 N ATOM 2246 CD2 HIS B 671 4.635 9.248 5.274 1.00 0.00 C ATOM 2247 CE1 HIS B 671 6.256 9.624 6.701 1.00 0.00 C ATOM 2248 NE2 HIS B 671 5.243 8.821 6.429 1.00 0.00 N ATOM 0 H HIS B 671 2.987 10.192 2.893 1.00 0.00 H new ATOM 0 HA HIS B 671 3.524 12.230 4.706 1.00 0.00 H new ATOM 0 HB2 HIS B 671 5.139 10.605 2.748 1.00 0.00 H new ATOM 0 HB3 HIS B 671 5.915 11.935 3.585 1.00 0.00 H new ATOM 0 HD2 HIS B 671 3.778 8.796 4.797 1.00 0.00 H new ATOM 0 HE1 HIS B 671 6.921 9.538 7.548 1.00 0.00 H new ATOM 0 HE2 HIS B 671 4.959 8.015 6.986 1.00 0.00 H new ATOM 2255 N ALA B 672 3.469 13.219 1.615 1.00 0.00 N ATOM 2256 CA ALA B 672 3.531 14.385 0.743 1.00 0.00 C ATOM 2257 C ALA B 672 2.835 15.583 1.380 1.00 0.00 C ATOM 2258 O ALA B 672 3.390 16.682 1.427 1.00 0.00 O ATOM 2259 CB ALA B 672 2.908 14.068 -0.608 1.00 0.00 C ATOM 0 H ALA B 672 3.080 12.385 1.176 1.00 0.00 H new ATOM 0 HA ALA B 672 4.580 14.642 0.595 1.00 0.00 H new ATOM 0 HB1 ALA B 672 2.961 14.948 -1.249 1.00 0.00 H new ATOM 0 HB2 ALA B 672 3.450 13.246 -1.075 1.00 0.00 H new ATOM 0 HB3 ALA B 672 1.865 13.783 -0.470 1.00 0.00 H new ATOM 2265 N MET B 673 1.618 15.365 1.868 1.00 0.00 N ATOM 2266 CA MET B 673 0.848 16.429 2.502 1.00 0.00 C ATOM 2267 C MET B 673 1.456 16.811 3.848 1.00 0.00 C ATOM 2268 O MET B 673 1.386 17.968 4.264 1.00 0.00 O ATOM 2269 CB MET B 673 -0.606 15.990 2.693 1.00 0.00 C ATOM 2270 CG MET B 673 -1.436 16.973 3.503 1.00 0.00 C ATOM 2271 SD MET B 673 -1.753 16.396 5.181 1.00 0.00 S ATOM 2272 CE MET B 673 -2.663 14.888 4.855 1.00 0.00 C ATOM 0 H MET B 673 1.144 14.462 1.837 1.00 0.00 H new ATOM 0 HA MET B 673 0.875 17.302 1.850 1.00 0.00 H new ATOM 0 HB2 MET B 673 -1.068 15.856 1.715 1.00 0.00 H new ATOM 0 HB3 MET B 673 -0.622 15.019 3.188 1.00 0.00 H new ATOM 0 HG2 MET B 673 -0.919 17.932 3.544 1.00 0.00 H new ATOM 0 HG3 MET B 673 -2.386 17.145 2.996 1.00 0.00 H new ATOM 0 HE1 MET B 673 -3.373 14.710 5.662 1.00 0.00 H new ATOM 0 HE2 MET B 673 -3.202 14.985 3.913 1.00 0.00 H new ATOM 0 HE3 MET B 673 -1.968 14.050 4.791 1.00 0.00 H new