USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=18 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: B 652 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 653 GLN : amide:sc= 0 X(o=0,f=0.37) USER MOD Set 2.1: A 75 ASN : amide:sc= -1.06 X(o=-1.7,f=-1.9) USER MOD Set 2.2: B 648 THR OG1 : rot -150:sc= -0.644 USER MOD Set 3.1: B 637 GLN :FLIP amide:sc= -2.02! C(o=-6.8!,f=-2.7!) USER MOD Set 3.2: B 641 GLN : amide:sc= -1.68 K(o=-2.7,f=-4.8!) USER MOD Set 3.3: B 656 GLN :FLIP amide:sc= 1 F(o=-6.8,f=-2.7) USER MOD Set 4.1: B 622 TYR OH : rot -149:sc= 1.59 USER MOD Set 4.2: B 670 TYR OH : rot 0:sc= 0.681 USER MOD Set 5.1: A 66 ASN : amide:sc= -0.485 X(o=0.79,f=1.2) USER MOD Set 5.2: A 67 THR OG1 : rot 71:sc= 1.28 USER MOD Set 6.1: A 64 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.105) USER MOD Set 6.2: B 658 GLN : amide:sc= -0.735 K(o=-0.73,f=-1.5) USER MOD Set 7.1: A 25 MET CE :methyl -169:sc= -3.79 (180deg=-3.86!) USER MOD Set 7.2: B 663 MET CE :methyl -179:sc= -3.18 (180deg=-2.1) USER MOD Single : A 21 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.192) USER MOD Single : A 27 HIS : no HD1:sc= -1.09 X(o=-1.1,f=-1.3) USER MOD Single : A 28 THR OG1 : rot -140:sc= -0.162 USER MOD Single : A 31 GLN : amide:sc= -0.0286 K(o=-0.029,f=-1.3) USER MOD Single : A 52 GLN : amide:sc= -0.162 K(o=-0.16,f=-1.4!) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.134 F(o=-0.84,f=-0.13) USER MOD Single : A 73 GLN : amide:sc= -0.0646 K(o=-0.065,f=-1) USER MOD Single : B 625 THR OG1 : rot 79:sc= 0.959 USER MOD Single : B 627 GLN : amide:sc= -0.669 K(o=-0.67,f=-1.2) USER MOD Single : B 628 SER OG : rot 180:sc= 0 USER MOD Single : B 642 SER OG : rot 180:sc= 0 USER MOD Single : B 645 GLN : amide:sc= 0.018 X(o=0.018,f=0) USER MOD Single : B 651 THR OG1 : rot 180:sc= 0 USER MOD Single : B 660 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 661 GLN : amide:sc= -0.0374 K(o=-0.037,f=-0.78) USER MOD Single : B 671 HIS : no HD1:sc= -0.0087 X(o=-0.0087,f=0) USER MOD Single : B 673 MET CE :methyl 153:sc= -0.28 (180deg=-1.17!) USER MOD ----------------------------------------------------------------- ATOM 222 N ALA A 17 -6.258 -15.965 6.777 1.00 0.00 N ATOM 223 CA ALA A 17 -5.777 -14.709 7.338 1.00 0.00 C ATOM 224 C ALA A 17 -5.603 -13.653 6.251 1.00 0.00 C ATOM 225 O ALA A 17 -5.671 -12.454 6.520 1.00 0.00 O ATOM 226 CB ALA A 17 -4.467 -14.929 8.078 1.00 0.00 C ATOM 0 HA ALA A 17 -6.523 -14.346 8.044 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.119 -13.982 8.492 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.621 -15.644 8.886 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.720 -15.319 7.387 1.00 0.00 H new ATOM 232 N PHE A 18 -5.374 -14.107 5.024 1.00 0.00 N ATOM 233 CA PHE A 18 -5.188 -13.200 3.897 1.00 0.00 C ATOM 234 C PHE A 18 -6.359 -12.230 3.779 1.00 0.00 C ATOM 235 O PHE A 18 -6.169 -11.038 3.536 1.00 0.00 O ATOM 236 CB PHE A 18 -5.037 -13.993 2.596 1.00 0.00 C ATOM 237 CG PHE A 18 -4.396 -13.210 1.487 1.00 0.00 C ATOM 238 CD1 PHE A 18 -5.158 -12.376 0.683 1.00 0.00 C ATOM 239 CD2 PHE A 18 -3.036 -13.305 1.248 1.00 0.00 C ATOM 240 CE1 PHE A 18 -4.572 -11.653 -0.340 1.00 0.00 C ATOM 241 CE2 PHE A 18 -2.444 -12.585 0.227 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.213 -11.758 -0.567 1.00 0.00 C ATOM 0 H PHE A 18 -5.313 -15.097 4.784 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.279 -12.625 4.073 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.442 -14.885 2.791 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.021 -14.331 2.270 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.220 -12.290 0.857 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.430 -13.950 1.867 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.176 -11.007 -0.961 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.382 -12.669 0.051 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.753 -11.194 -1.365 1.00 0.00 H new ATOM 251 N ALA A 19 -7.570 -12.749 3.953 1.00 0.00 N ATOM 252 CA ALA A 19 -8.772 -11.929 3.868 1.00 0.00 C ATOM 253 C ALA A 19 -8.879 -10.987 5.063 1.00 0.00 C ATOM 254 O ALA A 19 -9.396 -9.877 4.946 1.00 0.00 O ATOM 255 CB ALA A 19 -10.008 -12.812 3.777 1.00 0.00 C ATOM 0 H ALA A 19 -7.745 -13.734 4.154 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.705 -11.322 2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.898 -12.186 3.714 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.942 -13.440 2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.070 -13.443 4.663 1.00 0.00 H new ATOM 261 N ALA A 20 -8.390 -11.439 6.213 1.00 0.00 N ATOM 262 CA ALA A 20 -8.430 -10.637 7.429 1.00 0.00 C ATOM 263 C ALA A 20 -7.723 -9.300 7.229 1.00 0.00 C ATOM 264 O ALA A 20 -8.281 -8.241 7.515 1.00 0.00 O ATOM 265 CB ALA A 20 -7.802 -11.399 8.586 1.00 0.00 C ATOM 0 H ALA A 20 -7.961 -12.357 6.328 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.475 -10.435 7.666 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.839 -10.787 9.487 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.352 -12.325 8.753 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.764 -11.631 8.348 1.00 0.00 H new ATOM 271 N LYS A 21 -6.491 -9.357 6.735 1.00 0.00 N ATOM 272 CA LYS A 21 -5.706 -8.151 6.495 1.00 0.00 C ATOM 273 C LYS A 21 -6.382 -7.259 5.459 1.00 0.00 C ATOM 274 O LYS A 21 -6.377 -6.035 5.582 1.00 0.00 O ATOM 275 CB LYS A 21 -4.297 -8.520 6.024 1.00 0.00 C ATOM 276 CG LYS A 21 -3.277 -8.582 7.148 1.00 0.00 C ATOM 277 CD LYS A 21 -2.604 -9.942 7.216 1.00 0.00 C ATOM 278 CE LYS A 21 -2.287 -10.336 8.651 1.00 0.00 C ATOM 279 NZ LYS A 21 -2.173 -11.813 8.808 1.00 0.00 N ATOM 0 H LYS A 21 -6.014 -10.225 6.493 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.637 -7.600 7.433 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.332 -9.487 5.523 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.967 -7.790 5.285 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.523 -7.809 6.999 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.768 -8.370 8.098 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.253 -10.693 6.766 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.684 -9.924 6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.354 -9.865 8.959 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.068 -9.960 9.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.429 -12.080 9.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.816 -12.284 8.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.195 -12.108 8.614 1.00 0.00 H new ATOM 289 N ALA A 22 -6.965 -7.882 4.439 1.00 0.00 N ATOM 290 CA ALA A 22 -7.648 -7.144 3.384 1.00 0.00 C ATOM 291 C ALA A 22 -8.701 -6.205 3.964 1.00 0.00 C ATOM 292 O ALA A 22 -8.806 -5.049 3.558 1.00 0.00 O ATOM 293 CB ALA A 22 -8.286 -8.108 2.395 1.00 0.00 C ATOM 0 H ALA A 22 -6.978 -8.895 4.322 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.908 -6.539 2.860 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.793 -7.544 1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.514 -8.735 1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.009 -8.737 2.915 1.00 0.00 H new ATOM 299 N GLY A 23 -9.479 -6.710 4.916 1.00 0.00 N ATOM 300 CA GLY A 23 -10.513 -5.903 5.535 1.00 0.00 C ATOM 301 C GLY A 23 -9.947 -4.844 6.459 1.00 0.00 C ATOM 302 O GLY A 23 -10.560 -3.795 6.665 1.00 0.00 O ATOM 0 H GLY A 23 -9.411 -7.664 5.270 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.108 -5.423 4.758 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.186 -6.550 6.098 1.00 0.00 H new ATOM 306 N LEU A 24 -8.774 -5.117 7.020 1.00 0.00 N ATOM 307 CA LEU A 24 -8.124 -4.179 7.930 1.00 0.00 C ATOM 308 C LEU A 24 -7.444 -3.053 7.157 1.00 0.00 C ATOM 309 O LEU A 24 -7.381 -1.917 7.625 1.00 0.00 O ATOM 310 CB LEU A 24 -7.099 -4.909 8.799 1.00 0.00 C ATOM 311 CG LEU A 24 -7.117 -4.566 10.289 1.00 0.00 C ATOM 312 CD1 LEU A 24 -6.922 -5.821 11.127 1.00 0.00 C ATOM 313 CD2 LEU A 24 -6.045 -3.536 10.612 1.00 0.00 C ATOM 0 H LEU A 24 -8.253 -5.980 6.861 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.890 -3.743 8.572 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.260 -5.982 8.692 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.104 -4.695 8.409 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.089 -4.138 10.532 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.937 -5.558 12.185 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.725 -6.527 10.917 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.963 -6.278 10.881 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.072 -3.304 11.677 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.065 -3.937 10.353 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.228 -2.628 10.038 1.00 0.00 H new ATOM 324 N MET A 25 -6.939 -3.377 5.971 1.00 0.00 N ATOM 325 CA MET A 25 -6.267 -2.392 5.131 1.00 0.00 C ATOM 326 C MET A 25 -7.185 -1.209 4.840 1.00 0.00 C ATOM 327 O MET A 25 -6.850 -0.063 5.140 1.00 0.00 O ATOM 328 CB MET A 25 -5.811 -3.034 3.820 1.00 0.00 C ATOM 329 CG MET A 25 -5.103 -2.068 2.885 1.00 0.00 C ATOM 330 SD MET A 25 -3.748 -2.843 1.981 1.00 0.00 S ATOM 331 CE MET A 25 -2.381 -2.544 3.098 1.00 0.00 C ATOM 0 H MET A 25 -6.982 -4.314 5.570 1.00 0.00 H new ATOM 0 HA MET A 25 -5.393 -2.027 5.671 1.00 0.00 H new ATOM 0 HB2 MET A 25 -5.142 -3.865 4.045 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.678 -3.452 3.309 1.00 0.00 H new ATOM 0 HG2 MET A 25 -5.823 -1.662 2.175 1.00 0.00 H new ATOM 0 HG3 MET A 25 -4.716 -1.228 3.462 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.443 -2.787 2.598 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.374 -1.494 3.392 1.00 0.00 H new ATOM 0 HE3 MET A 25 -2.492 -3.168 3.984 1.00 0.00 H new ATOM 339 N ARG A 26 -8.344 -1.496 4.254 1.00 0.00 N ATOM 340 CA ARG A 26 -9.309 -0.454 3.921 1.00 0.00 C ATOM 341 C ARG A 26 -9.604 0.421 5.135 1.00 0.00 C ATOM 342 O ARG A 26 -9.912 1.606 4.998 1.00 0.00 O ATOM 343 CB ARG A 26 -10.605 -1.079 3.400 1.00 0.00 C ATOM 344 CG ARG A 26 -11.119 -0.437 2.123 1.00 0.00 C ATOM 345 CD ARG A 26 -11.547 -1.485 1.107 1.00 0.00 C ATOM 346 NE ARG A 26 -12.734 -1.073 0.362 1.00 0.00 N ATOM 347 CZ ARG A 26 -13.952 -1.027 0.889 1.00 0.00 C ATOM 348 NH1 ARG A 26 -14.144 -1.366 2.156 1.00 0.00 N ATOM 349 NH2 ARG A 26 -14.983 -0.642 0.147 1.00 0.00 N ATOM 0 H ARG A 26 -8.637 -2.440 4.001 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.877 0.173 3.141 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.440 -2.142 3.222 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.372 -1.000 4.171 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.963 0.213 2.355 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.341 0.193 1.692 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.729 -1.671 0.411 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.749 -2.425 1.620 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.621 -0.806 -0.616 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.355 -1.663 2.730 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.081 -1.329 2.557 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.840 -0.381 -0.829 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.918 -0.607 0.552 1.00 0.00 H new ATOM 360 N HIS A 27 -9.509 -0.169 6.321 1.00 0.00 N ATOM 361 CA HIS A 27 -9.767 0.556 7.560 1.00 0.00 C ATOM 362 C HIS A 27 -8.591 1.461 7.914 1.00 0.00 C ATOM 363 O HIS A 27 -8.773 2.559 8.441 1.00 0.00 O ATOM 364 CB HIS A 27 -10.035 -0.422 8.704 1.00 0.00 C ATOM 365 CG HIS A 27 -10.134 0.237 10.045 1.00 0.00 C ATOM 366 ND1 HIS A 27 -10.663 1.497 10.227 1.00 0.00 N ATOM 367 CD2 HIS A 27 -9.769 -0.198 11.274 1.00 0.00 C ATOM 368 CE1 HIS A 27 -10.618 1.810 11.510 1.00 0.00 C ATOM 369 NE2 HIS A 27 -10.080 0.798 12.167 1.00 0.00 N ATOM 0 H HIS A 27 -9.255 -1.148 6.451 1.00 0.00 H new ATOM 0 HA HIS A 27 -10.650 1.177 7.410 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.962 -0.958 8.503 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.237 -1.164 8.731 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.317 -1.151 11.508 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.962 2.736 11.947 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.921 0.762 13.174 1.00 0.00 H new ATOM 376 N THR A 28 -7.381 0.992 7.622 1.00 0.00 N ATOM 377 CA THR A 28 -6.175 1.757 7.911 1.00 0.00 C ATOM 378 C THR A 28 -6.125 3.039 7.087 1.00 0.00 C ATOM 379 O THR A 28 -5.877 4.120 7.621 1.00 0.00 O ATOM 380 CB THR A 28 -4.905 0.931 7.630 1.00 0.00 C ATOM 381 OG1 THR A 28 -5.163 -0.458 7.864 1.00 0.00 O ATOM 382 CG2 THR A 28 -3.753 1.392 8.511 1.00 0.00 C ATOM 0 H THR A 28 -7.211 0.086 7.186 1.00 0.00 H new ATOM 0 HA THR A 28 -6.209 2.010 8.971 1.00 0.00 H new ATOM 0 HB THR A 28 -4.626 1.079 6.587 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.387 -0.865 8.303 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.868 0.794 8.295 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.540 2.442 8.311 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.025 1.270 9.559 1.00 0.00 H new ATOM 390 N ILE A 29 -6.363 2.910 5.787 1.00 0.00 N ATOM 391 CA ILE A 29 -6.348 4.060 4.891 1.00 0.00 C ATOM 392 C ILE A 29 -7.498 5.012 5.198 1.00 0.00 C ATOM 393 O ILE A 29 -7.305 6.222 5.303 1.00 0.00 O ATOM 394 CB ILE A 29 -6.437 3.625 3.416 1.00 0.00 C ATOM 395 CG1 ILE A 29 -5.149 2.915 2.993 1.00 0.00 C ATOM 396 CG2 ILE A 29 -6.702 4.828 2.524 1.00 0.00 C ATOM 397 CD1 ILE A 29 -5.084 1.468 3.428 1.00 0.00 C ATOM 0 H ILE A 29 -6.568 2.021 5.330 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.401 4.574 5.054 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.267 2.927 3.308 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.057 2.964 1.908 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.296 3.450 3.410 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.762 4.504 1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.643 5.295 2.814 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.891 5.548 2.633 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.144 1.029 3.093 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.144 1.412 4.515 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.917 0.918 2.990 1.00 0.00 H new ATOM 408 N GLY A 30 -8.697 4.456 5.343 1.00 0.00 N ATOM 409 CA GLY A 30 -9.862 5.270 5.639 1.00 0.00 C ATOM 410 C GLY A 30 -9.660 6.149 6.857 1.00 0.00 C ATOM 411 O GLY A 30 -9.987 7.335 6.835 1.00 0.00 O ATOM 0 H GLY A 30 -8.883 3.456 5.261 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.093 5.896 4.777 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.723 4.621 5.801 1.00 0.00 H new ATOM 415 N GLN A 31 -9.122 5.565 7.923 1.00 0.00 N ATOM 416 CA GLN A 31 -8.880 6.304 9.158 1.00 0.00 C ATOM 417 C GLN A 31 -7.701 7.258 8.997 1.00 0.00 C ATOM 418 O GLN A 31 -7.761 8.411 9.425 1.00 0.00 O ATOM 419 CB GLN A 31 -8.616 5.336 10.312 1.00 0.00 C ATOM 420 CG GLN A 31 -9.836 5.079 11.181 1.00 0.00 C ATOM 421 CD GLN A 31 -10.185 6.263 12.061 1.00 0.00 C ATOM 422 OE1 GLN A 31 -9.458 7.256 12.104 1.00 0.00 O ATOM 423 NE2 GLN A 31 -11.304 6.166 12.769 1.00 0.00 N ATOM 0 H GLN A 31 -8.846 4.584 7.957 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.771 6.891 9.383 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.263 4.388 9.906 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.815 5.735 10.934 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.688 4.841 10.544 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.653 4.206 11.808 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.877 5.325 12.704 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.590 6.933 13.378 1.00 0.00 H new ATOM 430 N ALA A 32 -6.630 6.770 8.381 1.00 0.00 N ATOM 431 CA ALA A 32 -5.438 7.580 8.164 1.00 0.00 C ATOM 432 C ALA A 32 -5.761 8.826 7.346 1.00 0.00 C ATOM 433 O ALA A 32 -5.226 9.903 7.602 1.00 0.00 O ATOM 434 CB ALA A 32 -4.360 6.758 7.472 1.00 0.00 C ATOM 0 H ALA A 32 -6.563 5.817 8.023 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.067 7.902 9.137 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.475 7.376 7.316 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.100 5.902 8.094 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.732 6.407 6.509 1.00 0.00 H new ATOM 440 N GLU A 33 -6.641 8.670 6.362 1.00 0.00 N ATOM 441 CA GLU A 33 -7.034 9.784 5.506 1.00 0.00 C ATOM 442 C GLU A 33 -8.020 10.701 6.226 1.00 0.00 C ATOM 443 O GLU A 33 -7.826 11.915 6.279 1.00 0.00 O ATOM 444 CB GLU A 33 -7.658 9.264 4.210 1.00 0.00 C ATOM 445 CG GLU A 33 -7.094 9.915 2.959 1.00 0.00 C ATOM 446 CD GLU A 33 -5.591 9.747 2.841 1.00 0.00 C ATOM 447 OE1 GLU A 33 -5.040 8.846 3.508 1.00 0.00 O ATOM 448 OE2 GLU A 33 -4.966 10.517 2.081 1.00 0.00 O ATOM 0 H GLU A 33 -7.095 7.785 6.138 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.139 10.358 5.265 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.504 8.187 4.149 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.735 9.431 4.242 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.574 9.483 2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.338 10.977 2.965 1.00 0.00 H new ATOM 658 N PHE A 51 -4.348 20.086 -0.814 1.00 0.00 N ATOM 659 CA PHE A 51 -5.039 19.006 -0.120 1.00 0.00 C ATOM 660 C PHE A 51 -5.717 18.068 -1.114 1.00 0.00 C ATOM 661 O PHE A 51 -5.797 16.861 -0.887 1.00 0.00 O ATOM 662 CB PHE A 51 -6.076 19.577 0.850 1.00 0.00 C ATOM 663 CG PHE A 51 -6.679 18.544 1.759 1.00 0.00 C ATOM 664 CD1 PHE A 51 -7.636 17.660 1.286 1.00 0.00 C ATOM 665 CD2 PHE A 51 -6.288 18.455 3.085 1.00 0.00 C ATOM 666 CE1 PHE A 51 -8.193 16.709 2.122 1.00 0.00 C ATOM 667 CE2 PHE A 51 -6.840 17.506 3.924 1.00 0.00 C ATOM 668 CZ PHE A 51 -7.794 16.632 3.441 1.00 0.00 C ATOM 0 HA PHE A 51 -4.300 18.437 0.443 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.607 20.353 1.455 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.871 20.056 0.279 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -7.950 17.714 0.254 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.542 19.136 3.468 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.940 16.027 1.743 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.526 17.448 4.956 1.00 0.00 H new ATOM 0 HZ PHE A 51 -8.227 15.889 4.095 1.00 0.00 H new ATOM 677 N GLN A 52 -6.205 18.632 -2.214 1.00 0.00 N ATOM 678 CA GLN A 52 -6.878 17.846 -3.241 1.00 0.00 C ATOM 679 C GLN A 52 -5.881 16.980 -4.004 1.00 0.00 C ATOM 680 O GLN A 52 -6.050 15.765 -4.106 1.00 0.00 O ATOM 681 CB GLN A 52 -7.618 18.767 -4.213 1.00 0.00 C ATOM 682 CG GLN A 52 -8.130 18.054 -5.455 1.00 0.00 C ATOM 683 CD GLN A 52 -9.594 18.339 -5.730 1.00 0.00 C ATOM 684 OE1 GLN A 52 -10.140 19.342 -5.267 1.00 0.00 O ATOM 685 NE2 GLN A 52 -10.237 17.459 -6.487 1.00 0.00 N ATOM 0 H GLN A 52 -6.147 19.630 -2.417 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.598 17.192 -2.749 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.460 19.227 -3.695 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.950 19.574 -4.516 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.536 18.361 -6.316 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.989 16.980 -5.337 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.745 16.642 -6.849 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.223 17.599 -6.707 1.00 0.00 H new ATOM 692 N ALA A 53 -4.840 17.613 -4.538 1.00 0.00 N ATOM 693 CA ALA A 53 -3.815 16.900 -5.289 1.00 0.00 C ATOM 694 C ALA A 53 -3.263 15.726 -4.486 1.00 0.00 C ATOM 695 O ALA A 53 -3.202 14.600 -4.978 1.00 0.00 O ATOM 696 CB ALA A 53 -2.693 17.847 -5.682 1.00 0.00 C ATOM 0 H ALA A 53 -4.685 18.618 -4.464 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.274 16.503 -6.195 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.935 17.300 -6.242 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.094 18.649 -6.302 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.244 18.272 -4.784 1.00 0.00 H new ATOM 702 N ALA A 54 -2.861 15.999 -3.249 1.00 0.00 N ATOM 703 CA ALA A 54 -2.315 14.966 -2.379 1.00 0.00 C ATOM 704 C ALA A 54 -3.345 13.874 -2.109 1.00 0.00 C ATOM 705 O ALA A 54 -3.000 12.697 -1.992 1.00 0.00 O ATOM 706 CB ALA A 54 -1.837 15.577 -1.069 1.00 0.00 C ATOM 0 H ALA A 54 -2.903 16.927 -2.827 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.465 14.511 -2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.432 14.794 -0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.062 16.316 -1.273 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.675 16.060 -0.566 1.00 0.00 H new ATOM 712 N HIS A 55 -4.609 14.270 -2.011 1.00 0.00 N ATOM 713 CA HIS A 55 -5.690 13.325 -1.756 1.00 0.00 C ATOM 714 C HIS A 55 -5.937 12.441 -2.974 1.00 0.00 C ATOM 715 O HIS A 55 -6.233 11.253 -2.842 1.00 0.00 O ATOM 716 CB HIS A 55 -6.971 14.070 -1.383 1.00 0.00 C ATOM 717 CG HIS A 55 -8.146 13.168 -1.158 1.00 0.00 C ATOM 718 ND1 HIS A 55 -8.885 12.443 -2.030 1.00 0.00 N flip ATOM 719 CD2 HIS A 55 -8.687 12.933 0.088 1.00 0.00 C flip ATOM 720 CE1 HIS A 55 -9.847 11.788 -1.302 1.00 0.00 C flip ATOM 721 NE2 HIS A 55 -9.705 12.101 -0.026 1.00 0.00 N flip ATOM 0 H HIS A 55 -4.911 15.240 -2.104 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.394 12.689 -0.922 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.792 14.652 -0.479 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.214 14.778 -2.176 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.333 13.363 1.013 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.598 11.125 -1.706 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.284 11.758 0.741 1.00 0.00 H new ATOM 728 N ALA A 56 -5.816 13.028 -4.159 1.00 0.00 N ATOM 729 CA ALA A 56 -6.026 12.294 -5.402 1.00 0.00 C ATOM 730 C ALA A 56 -4.876 11.329 -5.670 1.00 0.00 C ATOM 731 O ALA A 56 -5.067 10.273 -6.272 1.00 0.00 O ATOM 732 CB ALA A 56 -6.189 13.260 -6.565 1.00 0.00 C ATOM 0 H ALA A 56 -5.573 14.011 -4.286 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.940 11.709 -5.300 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.345 12.698 -7.486 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.048 13.906 -6.384 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.291 13.870 -6.660 1.00 0.00 H new ATOM 738 N ARG A 57 -3.682 11.700 -5.218 1.00 0.00 N ATOM 739 CA ARG A 57 -2.501 10.867 -5.413 1.00 0.00 C ATOM 740 C ARG A 57 -2.626 9.557 -4.641 1.00 0.00 C ATOM 741 O ARG A 57 -2.194 8.504 -5.110 1.00 0.00 O ATOM 742 CB ARG A 57 -1.244 11.616 -4.964 1.00 0.00 C ATOM 743 CG ARG A 57 -0.818 12.719 -5.920 1.00 0.00 C ATOM 744 CD ARG A 57 0.172 13.670 -5.268 1.00 0.00 C ATOM 745 NE ARG A 57 1.526 13.489 -5.785 1.00 0.00 N ATOM 746 CZ ARG A 57 1.926 13.936 -6.971 1.00 0.00 C ATOM 747 NH1 ARG A 57 1.081 14.586 -7.757 1.00 0.00 N ATOM 748 NH2 ARG A 57 3.175 13.732 -7.370 1.00 0.00 N ATOM 0 H ARG A 57 -3.507 12.570 -4.715 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.421 10.637 -6.475 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.421 12.049 -3.979 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.426 10.904 -4.857 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.368 12.277 -6.809 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.696 13.275 -6.249 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.147 14.698 -5.439 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.171 13.511 -4.190 1.00 0.00 H new ATOM 0 HE ARG A 57 2.202 12.992 -5.204 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.121 14.745 -7.453 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.391 14.928 -8.667 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.828 13.232 -6.767 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.482 14.075 -8.280 1.00 0.00 H new ATOM 759 N PHE A 58 -3.221 9.629 -3.455 1.00 0.00 N ATOM 760 CA PHE A 58 -3.403 8.449 -2.618 1.00 0.00 C ATOM 761 C PHE A 58 -4.389 7.476 -3.256 1.00 0.00 C ATOM 762 O PHE A 58 -4.079 6.302 -3.457 1.00 0.00 O ATOM 763 CB PHE A 58 -3.897 8.855 -1.228 1.00 0.00 C ATOM 764 CG PHE A 58 -3.703 7.788 -0.187 1.00 0.00 C ATOM 765 CD1 PHE A 58 -4.385 6.586 -0.273 1.00 0.00 C ATOM 766 CD2 PHE A 58 -2.839 7.989 0.877 1.00 0.00 C ATOM 767 CE1 PHE A 58 -4.209 5.603 0.682 1.00 0.00 C ATOM 768 CE2 PHE A 58 -2.657 7.010 1.834 1.00 0.00 C ATOM 769 CZ PHE A 58 -3.344 5.816 1.738 1.00 0.00 C ATOM 0 H PHE A 58 -3.585 10.492 -3.052 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.438 7.950 -2.522 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.372 9.757 -0.914 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.956 9.106 -1.287 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.063 6.415 -1.096 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.301 8.922 0.959 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.747 4.670 0.603 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.978 7.178 2.657 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.205 5.050 2.487 1.00 0.00 H new ATOM 778 N VAL A 59 -5.581 7.973 -3.571 1.00 0.00 N ATOM 779 CA VAL A 59 -6.615 7.149 -4.187 1.00 0.00 C ATOM 780 C VAL A 59 -6.120 6.531 -5.491 1.00 0.00 C ATOM 781 O VAL A 59 -6.495 5.413 -5.841 1.00 0.00 O ATOM 782 CB VAL A 59 -7.889 7.965 -4.469 1.00 0.00 C ATOM 783 CG1 VAL A 59 -7.547 9.252 -5.206 1.00 0.00 C ATOM 784 CG2 VAL A 59 -8.888 7.136 -5.263 1.00 0.00 C ATOM 0 H VAL A 59 -5.855 8.942 -3.410 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.851 6.355 -3.479 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.348 8.231 -3.516 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.460 9.816 -5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.871 9.852 -4.596 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.065 9.012 -6.153 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.783 7.729 -5.453 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.441 6.838 -6.212 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.157 6.246 -4.693 1.00 0.00 H new ATOM 794 N ALA A 60 -5.276 7.268 -6.205 1.00 0.00 N ATOM 795 CA ALA A 60 -4.728 6.792 -7.470 1.00 0.00 C ATOM 796 C ALA A 60 -3.941 5.501 -7.275 1.00 0.00 C ATOM 797 O ALA A 60 -4.013 4.589 -8.098 1.00 0.00 O ATOM 798 CB ALA A 60 -3.846 7.860 -8.098 1.00 0.00 C ATOM 0 H ALA A 60 -4.957 8.197 -5.930 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.560 6.582 -8.142 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.444 7.491 -9.042 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.436 8.758 -8.281 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.025 8.098 -7.422 1.00 0.00 H new ATOM 804 N ALA A 61 -3.188 5.431 -6.181 1.00 0.00 N ATOM 805 CA ALA A 61 -2.389 4.250 -5.878 1.00 0.00 C ATOM 806 C ALA A 61 -3.249 3.143 -5.280 1.00 0.00 C ATOM 807 O ALA A 61 -2.995 1.959 -5.497 1.00 0.00 O ATOM 808 CB ALA A 61 -1.253 4.610 -4.932 1.00 0.00 C ATOM 0 H ALA A 61 -3.115 6.178 -5.491 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.966 3.879 -6.811 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.665 3.719 -4.714 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.615 5.361 -5.398 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.664 5.009 -4.005 1.00 0.00 H new ATOM 814 N ALA A 62 -4.267 3.536 -4.521 1.00 0.00 N ATOM 815 CA ALA A 62 -5.166 2.577 -3.892 1.00 0.00 C ATOM 816 C ALA A 62 -5.704 1.577 -4.910 1.00 0.00 C ATOM 817 O ALA A 62 -5.891 0.401 -4.600 1.00 0.00 O ATOM 818 CB ALA A 62 -6.314 3.302 -3.204 1.00 0.00 C ATOM 0 H ALA A 62 -4.489 4.512 -4.327 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.599 2.023 -3.143 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.978 2.573 -2.738 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.917 3.971 -2.440 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.871 3.882 -3.940 1.00 0.00 H new ATOM 824 N ALA A 63 -5.949 2.053 -6.126 1.00 0.00 N ATOM 825 CA ALA A 63 -6.463 1.200 -7.191 1.00 0.00 C ATOM 826 C ALA A 63 -5.548 0.004 -7.426 1.00 0.00 C ATOM 827 O ALA A 63 -6.002 -1.071 -7.822 1.00 0.00 O ATOM 828 CB ALA A 63 -6.631 2.000 -8.473 1.00 0.00 C ATOM 0 H ALA A 63 -5.800 3.025 -6.398 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.438 0.822 -6.882 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.015 1.350 -9.259 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.332 2.817 -8.303 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.666 2.406 -8.777 1.00 0.00 H new ATOM 834 N LYS A 64 -4.257 0.196 -7.182 1.00 0.00 N ATOM 835 CA LYS A 64 -3.276 -0.867 -7.366 1.00 0.00 C ATOM 836 C LYS A 64 -3.413 -1.929 -6.279 1.00 0.00 C ATOM 837 O LYS A 64 -3.349 -3.126 -6.555 1.00 0.00 O ATOM 838 CB LYS A 64 -1.859 -0.290 -7.354 1.00 0.00 C ATOM 839 CG LYS A 64 -1.043 -0.656 -8.581 1.00 0.00 C ATOM 840 CD LYS A 64 -0.975 -2.161 -8.777 1.00 0.00 C ATOM 841 CE LYS A 64 0.086 -2.543 -9.798 1.00 0.00 C ATOM 842 NZ LYS A 64 -0.087 -1.807 -11.081 1.00 0.00 N ATOM 0 H LYS A 64 -3.865 1.079 -6.856 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.463 -1.335 -8.332 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.918 0.796 -7.278 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.339 -0.644 -6.464 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.484 -0.193 -9.464 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.034 -0.255 -8.481 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.755 -2.643 -7.825 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.947 -2.531 -9.105 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.075 -2.333 -9.390 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.040 -3.616 -9.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.492 -2.256 -11.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.088 -1.832 -11.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.214 -0.819 -10.958 1.00 0.00 H new ATOM 852 N VAL A 65 -3.603 -1.481 -5.042 1.00 0.00 N ATOM 853 CA VAL A 65 -3.751 -2.392 -3.913 1.00 0.00 C ATOM 854 C VAL A 65 -5.016 -3.234 -4.049 1.00 0.00 C ATOM 855 O VAL A 65 -4.985 -4.450 -3.868 1.00 0.00 O ATOM 856 CB VAL A 65 -3.799 -1.628 -2.577 1.00 0.00 C ATOM 857 CG1 VAL A 65 -3.686 -2.593 -1.406 1.00 0.00 C ATOM 858 CG2 VAL A 65 -2.696 -0.581 -2.523 1.00 0.00 C ATOM 0 H VAL A 65 -3.658 -0.493 -4.796 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.879 -3.046 -3.918 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.759 -1.117 -2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.722 -2.035 -0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.513 -3.302 -1.438 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.742 -3.134 -1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.744 -0.050 -1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.726 -1.069 -2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.827 0.127 -3.341 1.00 0.00 H new ATOM 868 N ASN A 66 -6.125 -2.578 -4.371 1.00 0.00 N ATOM 869 CA ASN A 66 -7.400 -3.266 -4.531 1.00 0.00 C ATOM 870 C ASN A 66 -7.328 -4.289 -5.662 1.00 0.00 C ATOM 871 O ASN A 66 -7.686 -5.453 -5.483 1.00 0.00 O ATOM 872 CB ASN A 66 -8.516 -2.257 -4.813 1.00 0.00 C ATOM 873 CG ASN A 66 -9.664 -2.866 -5.595 1.00 0.00 C ATOM 874 OD1 ASN A 66 -10.609 -3.401 -5.016 1.00 0.00 O ATOM 875 ND2 ASN A 66 -9.584 -2.790 -6.919 1.00 0.00 N ATOM 0 H ASN A 66 -6.167 -1.571 -4.526 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.620 -3.792 -3.602 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.892 -1.863 -3.869 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.107 -1.414 -5.370 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.325 -3.185 -7.498 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.782 -2.337 -7.356 1.00 0.00 H new ATOM 881 N THR A 67 -6.862 -3.846 -6.824 1.00 0.00 N ATOM 882 CA THR A 67 -6.743 -4.721 -7.984 1.00 0.00 C ATOM 883 C THR A 67 -5.908 -5.954 -7.657 1.00 0.00 C ATOM 884 O THR A 67 -6.203 -7.057 -8.120 1.00 0.00 O ATOM 885 CB THR A 67 -6.109 -3.988 -9.179 1.00 0.00 C ATOM 886 OG1 THR A 67 -6.922 -2.871 -9.557 1.00 0.00 O ATOM 887 CG2 THR A 67 -5.945 -4.926 -10.366 1.00 0.00 C ATOM 0 H THR A 67 -6.560 -2.886 -6.988 1.00 0.00 H new ATOM 0 HA THR A 67 -7.753 -5.029 -8.253 1.00 0.00 H new ATOM 0 HB THR A 67 -5.123 -3.634 -8.877 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.856 -2.172 -8.873 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.495 -4.385 -11.198 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.301 -5.760 -10.085 1.00 0.00 H new ATOM 0 HG23 THR A 67 -6.921 -5.307 -10.666 1.00 0.00 H new ATOM 895 N LEU A 68 -4.865 -5.762 -6.857 1.00 0.00 N ATOM 896 CA LEU A 68 -3.986 -6.860 -6.468 1.00 0.00 C ATOM 897 C LEU A 68 -4.645 -7.733 -5.404 1.00 0.00 C ATOM 898 O LEU A 68 -4.492 -8.955 -5.407 1.00 0.00 O ATOM 899 CB LEU A 68 -2.657 -6.313 -5.945 1.00 0.00 C ATOM 900 CG LEU A 68 -1.782 -5.583 -6.966 1.00 0.00 C ATOM 901 CD1 LEU A 68 -0.770 -4.693 -6.262 1.00 0.00 C ATOM 902 CD2 LEU A 68 -1.078 -6.581 -7.875 1.00 0.00 C ATOM 0 H LEU A 68 -4.607 -4.856 -6.465 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.798 -7.473 -7.349 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.867 -5.630 -5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.083 -7.143 -5.532 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.423 -4.952 -7.581 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.157 -4.182 -7.004 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.295 -3.955 -5.655 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.132 -5.303 -5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.460 -6.044 -8.595 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.449 -7.238 -7.275 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.821 -7.176 -8.407 1.00 0.00 H new ATOM 913 N LEU A 69 -5.378 -7.098 -4.496 1.00 0.00 N ATOM 914 CA LEU A 69 -6.062 -7.817 -3.427 1.00 0.00 C ATOM 915 C LEU A 69 -6.979 -8.896 -3.996 1.00 0.00 C ATOM 916 O LEU A 69 -7.143 -9.961 -3.401 1.00 0.00 O ATOM 917 CB LEU A 69 -6.873 -6.844 -2.569 1.00 0.00 C ATOM 918 CG LEU A 69 -6.238 -6.434 -1.240 1.00 0.00 C ATOM 919 CD1 LEU A 69 -7.132 -5.447 -0.504 1.00 0.00 C ATOM 920 CD2 LEU A 69 -5.968 -7.657 -0.377 1.00 0.00 C ATOM 0 H LEU A 69 -5.514 -6.087 -4.479 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.307 -8.298 -2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.059 -5.943 -3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.843 -7.295 -2.362 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.286 -5.946 -1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.664 -5.166 0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.274 -4.557 -1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.099 -5.909 -0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.516 -7.345 0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.906 -8.174 -0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.288 -8.329 -0.901 1.00 0.00 H new ATOM 931 N ASP A 70 -7.570 -8.614 -5.151 1.00 0.00 N ATOM 932 CA ASP A 70 -8.468 -9.560 -5.803 1.00 0.00 C ATOM 933 C ASP A 70 -7.678 -10.631 -6.551 1.00 0.00 C ATOM 934 O ASP A 70 -7.997 -11.817 -6.479 1.00 0.00 O ATOM 935 CB ASP A 70 -9.401 -8.829 -6.768 1.00 0.00 C ATOM 936 CG ASP A 70 -10.779 -9.460 -6.830 1.00 0.00 C ATOM 937 OD1 ASP A 70 -10.922 -10.508 -7.492 1.00 0.00 O ATOM 938 OD2 ASP A 70 -11.714 -8.903 -6.216 1.00 0.00 O ATOM 0 H ASP A 70 -7.443 -7.737 -5.656 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.066 -10.046 -5.032 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.495 -7.788 -6.460 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.960 -8.828 -7.765 1.00 0.00 H new ATOM 942 N VAL A 71 -6.645 -10.202 -7.271 1.00 0.00 N ATOM 943 CA VAL A 71 -5.811 -11.123 -8.033 1.00 0.00 C ATOM 944 C VAL A 71 -5.109 -12.117 -7.114 1.00 0.00 C ATOM 945 O VAL A 71 -4.951 -13.289 -7.455 1.00 0.00 O ATOM 946 CB VAL A 71 -4.752 -10.368 -8.857 1.00 0.00 C ATOM 947 CG1 VAL A 71 -3.918 -11.343 -9.676 1.00 0.00 C ATOM 948 CG2 VAL A 71 -5.414 -9.334 -9.756 1.00 0.00 C ATOM 0 H VAL A 71 -6.367 -9.223 -7.342 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.472 -11.663 -8.711 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.086 -9.845 -8.170 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.175 -10.792 -10.252 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.414 -12.041 -9.008 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.567 -11.895 -10.356 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.651 -8.810 -10.331 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.103 -9.832 -10.438 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -5.963 -8.618 -9.144 1.00 0.00 H new ATOM 958 N ALA A 72 -4.691 -11.641 -5.945 1.00 0.00 N ATOM 959 CA ALA A 72 -4.008 -12.488 -4.976 1.00 0.00 C ATOM 960 C ALA A 72 -4.935 -13.580 -4.452 1.00 0.00 C ATOM 961 O ALA A 72 -4.576 -14.758 -4.441 1.00 0.00 O ATOM 962 CB ALA A 72 -3.475 -11.649 -3.823 1.00 0.00 C ATOM 0 H ALA A 72 -4.814 -10.673 -5.647 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.169 -12.969 -5.479 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.967 -12.295 -3.107 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.772 -10.909 -4.206 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.303 -11.141 -3.329 1.00 0.00 H new ATOM 968 N GLN A 73 -6.127 -13.181 -4.020 1.00 0.00 N ATOM 969 CA GLN A 73 -7.103 -14.127 -3.494 1.00 0.00 C ATOM 970 C GLN A 73 -7.638 -15.029 -4.600 1.00 0.00 C ATOM 971 O GLN A 73 -7.936 -16.200 -4.370 1.00 0.00 O ATOM 972 CB GLN A 73 -8.260 -13.380 -2.825 1.00 0.00 C ATOM 973 CG GLN A 73 -7.820 -12.472 -1.689 1.00 0.00 C ATOM 974 CD GLN A 73 -8.876 -11.449 -1.316 1.00 0.00 C ATOM 975 OE1 GLN A 73 -9.592 -10.938 -2.178 1.00 0.00 O ATOM 976 NE2 GLN A 73 -8.979 -11.147 -0.027 1.00 0.00 N ATOM 0 H GLN A 73 -6.440 -12.210 -4.024 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.604 -14.750 -2.752 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.779 -12.784 -3.575 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.977 -14.106 -2.442 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.583 -13.079 -0.815 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.904 -11.955 -1.976 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.364 -11.595 0.653 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.673 -10.467 0.284 1.00 0.00 H new ATOM 983 N ALA A 74 -7.758 -14.475 -5.803 1.00 0.00 N ATOM 984 CA ALA A 74 -8.255 -15.230 -6.946 1.00 0.00 C ATOM 985 C ALA A 74 -7.236 -16.268 -7.404 1.00 0.00 C ATOM 986 O ALA A 74 -7.563 -17.443 -7.566 1.00 0.00 O ATOM 987 CB ALA A 74 -8.603 -14.289 -8.090 1.00 0.00 C ATOM 0 H ALA A 74 -7.518 -13.506 -6.010 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.157 -15.757 -6.636 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.973 -14.867 -8.937 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.373 -13.589 -7.764 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.713 -13.736 -8.389 1.00 0.00 H new ATOM 993 N ASN A 75 -6.000 -15.826 -7.611 1.00 0.00 N ATOM 994 CA ASN A 75 -4.933 -16.717 -8.053 1.00 0.00 C ATOM 995 C ASN A 75 -4.708 -17.837 -7.041 1.00 0.00 C ATOM 996 O ASN A 75 -4.363 -18.961 -7.410 1.00 0.00 O ATOM 997 CB ASN A 75 -3.636 -15.931 -8.258 1.00 0.00 C ATOM 998 CG ASN A 75 -3.555 -15.300 -9.635 1.00 0.00 C ATOM 999 OD1 ASN A 75 -2.592 -15.516 -10.372 1.00 0.00 O ATOM 1000 ND2 ASN A 75 -4.566 -14.516 -9.987 1.00 0.00 N ATOM 0 H ASN A 75 -5.712 -14.856 -7.480 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.233 -17.162 -9.002 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.562 -15.152 -7.499 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.784 -16.596 -8.115 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.566 -14.063 -10.901 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.343 -14.366 -9.343 1.00 0.00 H new ATOM 1006 N LEU A 76 -4.904 -17.523 -5.765 1.00 0.00 N ATOM 1007 CA LEU A 76 -4.722 -18.503 -4.700 1.00 0.00 C ATOM 1008 C LEU A 76 -5.966 -19.371 -4.541 1.00 0.00 C ATOM 1009 O LEU A 76 -5.876 -20.541 -4.170 1.00 0.00 O ATOM 1010 CB LEU A 76 -4.406 -17.797 -3.380 1.00 0.00 C ATOM 1011 CG LEU A 76 -3.053 -17.088 -3.303 1.00 0.00 C ATOM 1012 CD1 LEU A 76 -2.937 -16.298 -2.010 1.00 0.00 C ATOM 1013 CD2 LEU A 76 -1.917 -18.094 -3.421 1.00 0.00 C ATOM 0 H LEU A 76 -5.189 -16.598 -5.443 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.885 -19.147 -4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.189 -17.064 -3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.454 -18.533 -2.577 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.982 -16.390 -4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.968 -15.801 -1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.730 -15.551 -1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.030 -16.975 -1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.962 -17.572 -3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.985 -18.816 -2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.990 -18.615 -4.376 1.00 0.00 H new ATOM 1024 N GLY A 77 -7.127 -18.790 -4.827 1.00 0.00 N ATOM 1025 CA GLY A 77 -8.372 -19.526 -4.711 1.00 0.00 C ATOM 1026 C GLY A 77 -8.831 -19.669 -3.273 1.00 0.00 C ATOM 1027 O GLY A 77 -9.888 -19.160 -2.899 1.00 0.00 O ATOM 0 H GLY A 77 -7.227 -17.823 -5.137 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.145 -19.018 -5.287 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.247 -20.516 -5.149 1.00 0.00 H new ATOM 1031 N GLU A 78 -8.035 -20.364 -2.467 1.00 0.00 N ATOM 1032 CA GLU A 78 -8.367 -20.574 -1.063 1.00 0.00 C ATOM 1033 C GLU A 78 -8.563 -19.241 -0.345 1.00 0.00 C ATOM 1034 O GLU A 78 -9.507 -19.073 0.428 1.00 0.00 O ATOM 1035 CB GLU A 78 -7.267 -21.380 -0.370 1.00 0.00 C ATOM 1036 CG GLU A 78 -7.612 -22.850 -0.190 1.00 0.00 C ATOM 1037 CD GLU A 78 -6.450 -23.659 0.353 1.00 0.00 C ATOM 1038 OE1 GLU A 78 -5.622 -24.124 -0.458 1.00 0.00 O ATOM 1039 OE2 GLU A 78 -6.369 -23.828 1.587 1.00 0.00 O ATOM 0 H GLU A 78 -7.157 -20.791 -2.762 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.301 -21.134 -1.018 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.348 -21.299 -0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.066 -20.940 0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.461 -22.940 0.488 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.924 -23.266 -1.148 1.00 0.00 H new ATOM 1044 N ALA A 79 -7.664 -18.298 -0.605 1.00 0.00 N ATOM 1045 CA ALA A 79 -7.738 -16.980 0.015 1.00 0.00 C ATOM 1046 C ALA A 79 -9.103 -16.340 -0.219 1.00 0.00 C ATOM 1047 O ALA A 79 -9.664 -15.709 0.675 1.00 0.00 O ATOM 1048 CB ALA A 79 -6.633 -16.082 -0.519 1.00 0.00 C ATOM 0 H ALA A 79 -6.876 -18.422 -1.241 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.602 -17.103 1.090 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.701 -15.102 -0.047 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.663 -16.526 -0.295 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.742 -15.974 -1.598 1.00 0.00 H new ATOM 1533 N ALA B 620 3.005 11.242 10.426 1.00 0.00 N ATOM 1534 CA ALA B 620 3.862 10.282 9.740 1.00 0.00 C ATOM 1535 C ALA B 620 4.150 9.075 10.625 1.00 0.00 C ATOM 1536 O ALA B 620 4.345 7.964 10.131 1.00 0.00 O ATOM 1537 CB ALA B 620 5.161 10.948 9.312 1.00 0.00 C ATOM 0 HA ALA B 620 3.337 9.931 8.852 1.00 0.00 H new ATOM 0 HB1 ALA B 620 5.792 10.221 8.801 1.00 0.00 H new ATOM 0 HB2 ALA B 620 4.941 11.775 8.637 1.00 0.00 H new ATOM 0 HB3 ALA B 620 5.683 11.327 10.191 1.00 0.00 H new ATOM 1543 N GLY B 621 4.177 9.299 11.935 1.00 0.00 N ATOM 1544 CA GLY B 621 4.444 8.219 12.867 1.00 0.00 C ATOM 1545 C GLY B 621 3.466 7.070 12.719 1.00 0.00 C ATOM 1546 O GLY B 621 3.869 5.926 12.502 1.00 0.00 O ATOM 0 H GLY B 621 4.019 10.209 12.368 1.00 0.00 H new ATOM 0 HA2 GLY B 621 5.458 7.851 12.711 1.00 0.00 H new ATOM 0 HA3 GLY B 621 4.397 8.603 13.886 1.00 0.00 H new ATOM 1550 N TYR B 622 2.178 7.373 12.835 1.00 0.00 N ATOM 1551 CA TYR B 622 1.140 6.355 12.717 1.00 0.00 C ATOM 1552 C TYR B 622 0.976 5.912 11.267 1.00 0.00 C ATOM 1553 O TYR B 622 0.649 4.758 10.993 1.00 0.00 O ATOM 1554 CB TYR B 622 -0.189 6.889 13.253 1.00 0.00 C ATOM 1555 CG TYR B 622 -0.994 7.654 12.226 1.00 0.00 C ATOM 1556 CD1 TYR B 622 -1.894 7.000 11.394 1.00 0.00 C ATOM 1557 CD2 TYR B 622 -0.851 9.029 12.085 1.00 0.00 C ATOM 1558 CE1 TYR B 622 -2.631 7.694 10.453 1.00 0.00 C ATOM 1559 CE2 TYR B 622 -1.584 9.731 11.148 1.00 0.00 C ATOM 1560 CZ TYR B 622 -2.473 9.059 10.334 1.00 0.00 C ATOM 1561 OH TYR B 622 -3.204 9.755 9.398 1.00 0.00 O ATOM 0 H TYR B 622 1.827 8.315 13.011 1.00 0.00 H new ATOM 0 HA TYR B 622 1.442 5.492 13.310 1.00 0.00 H new ATOM 0 HB2 TYR B 622 -0.785 6.053 13.620 1.00 0.00 H new ATOM 0 HB3 TYR B 622 0.008 7.539 14.106 1.00 0.00 H new ATOM 0 HD1 TYR B 622 -2.020 5.931 11.484 1.00 0.00 H new ATOM 0 HD2 TYR B 622 -0.155 9.558 12.719 1.00 0.00 H new ATOM 0 HE1 TYR B 622 -3.327 7.170 9.814 1.00 0.00 H new ATOM 0 HE2 TYR B 622 -1.462 10.800 11.053 1.00 0.00 H new ATOM 0 HH TYR B 622 -2.686 10.526 9.086 1.00 0.00 H new ATOM 1570 N ALA B 623 1.204 6.838 10.342 1.00 0.00 N ATOM 1571 CA ALA B 623 1.084 6.543 8.919 1.00 0.00 C ATOM 1572 C ALA B 623 1.861 5.283 8.552 1.00 0.00 C ATOM 1573 O ALA B 623 1.470 4.541 7.653 1.00 0.00 O ATOM 1574 CB ALA B 623 1.571 7.724 8.092 1.00 0.00 C ATOM 0 H ALA B 623 1.473 7.799 10.552 1.00 0.00 H new ATOM 0 HA ALA B 623 0.031 6.367 8.698 1.00 0.00 H new ATOM 0 HB1 ALA B 623 1.476 7.490 7.032 1.00 0.00 H new ATOM 0 HB2 ALA B 623 0.971 8.603 8.325 1.00 0.00 H new ATOM 0 HB3 ALA B 623 2.616 7.926 8.326 1.00 0.00 H new ATOM 1580 N GLY B 624 2.964 5.047 9.256 1.00 0.00 N ATOM 1581 CA GLY B 624 3.779 3.876 8.990 1.00 0.00 C ATOM 1582 C GLY B 624 2.969 2.595 8.993 1.00 0.00 C ATOM 1583 O GLY B 624 3.347 1.611 8.355 1.00 0.00 O ATOM 0 H GLY B 624 3.308 5.646 10.006 1.00 0.00 H new ATOM 0 HA2 GLY B 624 4.269 3.990 8.023 1.00 0.00 H new ATOM 0 HA3 GLY B 624 4.566 3.807 9.741 1.00 0.00 H new ATOM 1587 N THR B 625 1.854 2.602 9.715 1.00 0.00 N ATOM 1588 CA THR B 625 0.991 1.432 9.802 1.00 0.00 C ATOM 1589 C THR B 625 0.562 0.961 8.418 1.00 0.00 C ATOM 1590 O THR B 625 0.433 -0.239 8.170 1.00 0.00 O ATOM 1591 CB THR B 625 -0.265 1.720 10.646 1.00 0.00 C ATOM 1592 OG1 THR B 625 0.114 2.204 11.939 1.00 0.00 O ATOM 1593 CG2 THR B 625 -1.116 0.468 10.797 1.00 0.00 C ATOM 0 H THR B 625 1.527 3.407 10.249 1.00 0.00 H new ATOM 0 HA THR B 625 1.572 0.647 10.286 1.00 0.00 H new ATOM 0 HB THR B 625 -0.854 2.480 10.132 1.00 0.00 H new ATOM 0 HG1 THR B 625 0.352 3.153 11.876 1.00 0.00 H new ATOM 0 HG21 THR B 625 -1.997 0.697 11.397 1.00 0.00 H new ATOM 0 HG22 THR B 625 -1.428 0.119 9.813 1.00 0.00 H new ATOM 0 HG23 THR B 625 -0.534 -0.310 11.290 1.00 0.00 H new ATOM 1601 N LEU B 626 0.341 1.912 7.517 1.00 0.00 N ATOM 1602 CA LEU B 626 -0.073 1.595 6.154 1.00 0.00 C ATOM 1603 C LEU B 626 0.969 0.724 5.458 1.00 0.00 C ATOM 1604 O LEU B 626 0.633 -0.290 4.846 1.00 0.00 O ATOM 1605 CB LEU B 626 -0.296 2.879 5.356 1.00 0.00 C ATOM 1606 CG LEU B 626 -1.608 3.618 5.627 1.00 0.00 C ATOM 1607 CD1 LEU B 626 -2.796 2.695 5.406 1.00 0.00 C ATOM 1608 CD2 LEU B 626 -1.621 4.179 7.041 1.00 0.00 C ATOM 0 H LEU B 626 0.442 2.909 7.706 1.00 0.00 H new ATOM 0 HA LEU B 626 -1.009 1.040 6.205 1.00 0.00 H new ATOM 0 HB2 LEU B 626 0.530 3.559 5.562 1.00 0.00 H new ATOM 0 HB3 LEU B 626 -0.252 2.636 4.294 1.00 0.00 H new ATOM 0 HG LEU B 626 -1.686 4.450 4.927 1.00 0.00 H new ATOM 0 HD11 LEU B 626 -3.720 3.238 5.603 1.00 0.00 H new ATOM 0 HD12 LEU B 626 -2.796 2.342 4.375 1.00 0.00 H new ATOM 0 HD13 LEU B 626 -2.725 1.842 6.081 1.00 0.00 H new ATOM 0 HD21 LEU B 626 -2.561 4.701 7.217 1.00 0.00 H new ATOM 0 HD22 LEU B 626 -1.520 3.363 7.757 1.00 0.00 H new ATOM 0 HD23 LEU B 626 -0.791 4.875 7.164 1.00 0.00 H new ATOM 1619 N GLN B 627 2.231 1.127 5.556 1.00 0.00 N ATOM 1620 CA GLN B 627 3.321 0.383 4.936 1.00 0.00 C ATOM 1621 C GLN B 627 3.475 -0.993 5.577 1.00 0.00 C ATOM 1622 O GLN B 627 3.763 -1.977 4.897 1.00 0.00 O ATOM 1623 CB GLN B 627 4.631 1.163 5.054 1.00 0.00 C ATOM 1624 CG GLN B 627 5.631 0.843 3.953 1.00 0.00 C ATOM 1625 CD GLN B 627 6.684 1.921 3.790 1.00 0.00 C ATOM 1626 OE1 GLN B 627 6.705 2.637 2.789 1.00 0.00 O ATOM 1627 NE2 GLN B 627 7.564 2.043 4.777 1.00 0.00 N ATOM 0 H GLN B 627 2.524 1.965 6.059 1.00 0.00 H new ATOM 0 HA GLN B 627 3.081 0.248 3.881 1.00 0.00 H new ATOM 0 HB2 GLN B 627 4.412 2.231 5.035 1.00 0.00 H new ATOM 0 HB3 GLN B 627 5.086 0.948 6.021 1.00 0.00 H new ATOM 0 HG2 GLN B 627 6.119 -0.106 4.175 1.00 0.00 H new ATOM 0 HG3 GLN B 627 5.099 0.715 3.010 1.00 0.00 H new ATOM 0 HE21 GLN B 627 7.509 1.427 5.588 1.00 0.00 H new ATOM 0 HE22 GLN B 627 8.295 2.752 4.724 1.00 0.00 H new ATOM 1634 N SER B 628 3.280 -1.052 6.892 1.00 0.00 N ATOM 1635 CA SER B 628 3.401 -2.306 7.626 1.00 0.00 C ATOM 1636 C SER B 628 2.238 -3.239 7.303 1.00 0.00 C ATOM 1637 O SER B 628 2.390 -4.462 7.299 1.00 0.00 O ATOM 1638 CB SER B 628 3.453 -2.038 9.131 1.00 0.00 C ATOM 1639 OG SER B 628 4.791 -1.900 9.579 1.00 0.00 O ATOM 0 H SER B 628 3.038 -0.247 7.469 1.00 0.00 H new ATOM 0 HA SER B 628 4.328 -2.790 7.319 1.00 0.00 H new ATOM 0 HB2 SER B 628 2.894 -1.131 9.362 1.00 0.00 H new ATOM 0 HB3 SER B 628 2.970 -2.855 9.666 1.00 0.00 H new ATOM 0 HG SER B 628 4.797 -1.728 10.544 1.00 0.00 H new ATOM 1644 N LEU B 629 1.077 -2.655 7.033 1.00 0.00 N ATOM 1645 CA LEU B 629 -0.115 -3.432 6.709 1.00 0.00 C ATOM 1646 C LEU B 629 0.072 -4.195 5.402 1.00 0.00 C ATOM 1647 O LEU B 629 -0.173 -5.398 5.334 1.00 0.00 O ATOM 1648 CB LEU B 629 -1.335 -2.514 6.608 1.00 0.00 C ATOM 1649 CG LEU B 629 -2.607 -3.011 7.296 1.00 0.00 C ATOM 1650 CD1 LEU B 629 -2.925 -4.435 6.867 1.00 0.00 C ATOM 1651 CD2 LEU B 629 -2.461 -2.927 8.809 1.00 0.00 C ATOM 0 H LEU B 629 0.935 -1.645 7.032 1.00 0.00 H new ATOM 0 HA LEU B 629 -0.277 -4.154 7.510 1.00 0.00 H new ATOM 0 HB2 LEU B 629 -1.072 -1.545 7.032 1.00 0.00 H new ATOM 0 HB3 LEU B 629 -1.556 -2.351 5.553 1.00 0.00 H new ATOM 0 HG LEU B 629 -3.435 -2.370 6.994 1.00 0.00 H new ATOM 0 HD11 LEU B 629 -3.833 -4.771 7.367 1.00 0.00 H new ATOM 0 HD12 LEU B 629 -3.072 -4.465 5.787 1.00 0.00 H new ATOM 0 HD13 LEU B 629 -2.097 -5.090 7.139 1.00 0.00 H new ATOM 0 HD21 LEU B 629 -3.375 -3.284 9.283 1.00 0.00 H new ATOM 0 HD22 LEU B 629 -1.621 -3.544 9.128 1.00 0.00 H new ATOM 0 HD23 LEU B 629 -2.282 -1.892 9.100 1.00 0.00 H new ATOM 1662 N GLY B 630 0.510 -3.486 4.366 1.00 0.00 N ATOM 1663 CA GLY B 630 0.725 -4.113 3.075 1.00 0.00 C ATOM 1664 C GLY B 630 1.595 -5.350 3.169 1.00 0.00 C ATOM 1665 O GLY B 630 1.269 -6.393 2.602 1.00 0.00 O ATOM 0 H GLY B 630 0.720 -2.488 4.398 1.00 0.00 H new ATOM 0 HA2 GLY B 630 -0.238 -4.382 2.640 1.00 0.00 H new ATOM 0 HA3 GLY B 630 1.191 -3.396 2.399 1.00 0.00 H new ATOM 1669 N ALA B 631 2.709 -5.235 3.887 1.00 0.00 N ATOM 1670 CA ALA B 631 3.630 -6.352 4.053 1.00 0.00 C ATOM 1671 C ALA B 631 2.903 -7.589 4.571 1.00 0.00 C ATOM 1672 O ALA B 631 3.197 -8.710 4.158 1.00 0.00 O ATOM 1673 CB ALA B 631 4.760 -5.969 4.995 1.00 0.00 C ATOM 0 H ALA B 631 2.994 -4.379 4.363 1.00 0.00 H new ATOM 0 HA ALA B 631 4.052 -6.592 3.077 1.00 0.00 H new ATOM 0 HB1 ALA B 631 5.440 -6.813 5.110 1.00 0.00 H new ATOM 0 HB2 ALA B 631 5.304 -5.118 4.584 1.00 0.00 H new ATOM 0 HB3 ALA B 631 4.348 -5.701 5.968 1.00 0.00 H new ATOM 1679 N GLU B 632 1.957 -7.377 5.480 1.00 0.00 N ATOM 1680 CA GLU B 632 1.190 -8.476 6.055 1.00 0.00 C ATOM 1681 C GLU B 632 0.515 -9.299 4.962 1.00 0.00 C ATOM 1682 O GLU B 632 0.526 -10.530 5.002 1.00 0.00 O ATOM 1683 CB GLU B 632 0.139 -7.939 7.028 1.00 0.00 C ATOM 1684 CG GLU B 632 0.699 -6.974 8.058 1.00 0.00 C ATOM 1685 CD GLU B 632 0.555 -7.487 9.478 1.00 0.00 C ATOM 1686 OE1 GLU B 632 -0.594 -7.701 9.918 1.00 0.00 O ATOM 1687 OE2 GLU B 632 1.591 -7.676 10.149 1.00 0.00 O ATOM 0 H GLU B 632 1.703 -6.455 5.834 1.00 0.00 H new ATOM 0 HA GLU B 632 1.880 -9.122 6.598 1.00 0.00 H new ATOM 0 HB2 GLU B 632 -0.645 -7.437 6.461 1.00 0.00 H new ATOM 0 HB3 GLU B 632 -0.328 -8.778 7.545 1.00 0.00 H new ATOM 0 HG2 GLU B 632 1.753 -6.794 7.846 1.00 0.00 H new ATOM 0 HG3 GLU B 632 0.187 -6.016 7.968 1.00 0.00 H new ATOM 1692 N ILE B 633 -0.071 -8.611 3.988 1.00 0.00 N ATOM 1693 CA ILE B 633 -0.750 -9.278 2.884 1.00 0.00 C ATOM 1694 C ILE B 633 0.252 -9.906 1.922 1.00 0.00 C ATOM 1695 O ILE B 633 -0.018 -10.945 1.319 1.00 0.00 O ATOM 1696 CB ILE B 633 -1.651 -8.302 2.106 1.00 0.00 C ATOM 1697 CG1 ILE B 633 -2.695 -7.683 3.038 1.00 0.00 C ATOM 1698 CG2 ILE B 633 -2.327 -9.016 0.944 1.00 0.00 C ATOM 1699 CD1 ILE B 633 -3.299 -6.403 2.504 1.00 0.00 C ATOM 0 H ILE B 633 -0.089 -7.592 3.941 1.00 0.00 H new ATOM 0 HA ILE B 633 -1.370 -10.061 3.321 1.00 0.00 H new ATOM 0 HB ILE B 633 -1.031 -7.501 1.704 1.00 0.00 H new ATOM 0 HG12 ILE B 633 -3.492 -8.407 3.210 1.00 0.00 H new ATOM 0 HG13 ILE B 633 -2.233 -7.482 4.005 1.00 0.00 H new ATOM 0 HG21 ILE B 633 -2.961 -8.313 0.404 1.00 0.00 H new ATOM 0 HG22 ILE B 633 -1.568 -9.413 0.270 1.00 0.00 H new ATOM 0 HG23 ILE B 633 -2.937 -9.835 1.325 1.00 0.00 H new ATOM 0 HD11 ILE B 633 -4.030 -6.021 3.216 1.00 0.00 H new ATOM 0 HD12 ILE B 633 -2.512 -5.662 2.359 1.00 0.00 H new ATOM 0 HD13 ILE B 633 -3.790 -6.602 1.552 1.00 0.00 H new ATOM 1710 N ALA B 634 1.410 -9.269 1.782 1.00 0.00 N ATOM 1711 CA ALA B 634 2.454 -9.767 0.895 1.00 0.00 C ATOM 1712 C ALA B 634 3.035 -11.078 1.413 1.00 0.00 C ATOM 1713 O ALA B 634 3.174 -12.046 0.665 1.00 0.00 O ATOM 1714 CB ALA B 634 3.552 -8.726 0.737 1.00 0.00 C ATOM 0 H ALA B 634 1.649 -8.407 2.272 1.00 0.00 H new ATOM 0 HA ALA B 634 2.007 -9.959 -0.081 1.00 0.00 H new ATOM 0 HB1 ALA B 634 4.325 -9.111 0.072 1.00 0.00 H new ATOM 0 HB2 ALA B 634 3.131 -7.814 0.314 1.00 0.00 H new ATOM 0 HB3 ALA B 634 3.988 -8.506 1.712 1.00 0.00 H new ATOM 1720 N VAL B 635 3.374 -11.102 2.698 1.00 0.00 N ATOM 1721 CA VAL B 635 3.941 -12.295 3.317 1.00 0.00 C ATOM 1722 C VAL B 635 3.020 -13.497 3.138 1.00 0.00 C ATOM 1723 O VAL B 635 3.451 -14.558 2.688 1.00 0.00 O ATOM 1724 CB VAL B 635 4.199 -12.079 4.820 1.00 0.00 C ATOM 1725 CG1 VAL B 635 4.747 -13.347 5.456 1.00 0.00 C ATOM 1726 CG2 VAL B 635 5.148 -10.910 5.035 1.00 0.00 C ATOM 0 H VAL B 635 3.266 -10.309 3.331 1.00 0.00 H new ATOM 0 HA VAL B 635 4.890 -12.490 2.818 1.00 0.00 H new ATOM 0 HB VAL B 635 3.251 -11.841 5.303 1.00 0.00 H new ATOM 0 HG11 VAL B 635 4.923 -13.175 6.518 1.00 0.00 H new ATOM 0 HG12 VAL B 635 4.027 -14.156 5.334 1.00 0.00 H new ATOM 0 HG13 VAL B 635 5.685 -13.621 4.973 1.00 0.00 H new ATOM 0 HG21 VAL B 635 5.319 -10.772 6.103 1.00 0.00 H new ATOM 0 HG22 VAL B 635 6.097 -11.116 4.539 1.00 0.00 H new ATOM 0 HG23 VAL B 635 4.709 -10.004 4.618 1.00 0.00 H new ATOM 1736 N GLU B 636 1.751 -13.322 3.493 1.00 0.00 N ATOM 1737 CA GLU B 636 0.770 -14.393 3.370 1.00 0.00 C ATOM 1738 C GLU B 636 0.753 -14.957 1.953 1.00 0.00 C ATOM 1739 O GLU B 636 0.594 -16.161 1.755 1.00 0.00 O ATOM 1740 CB GLU B 636 -0.623 -13.884 3.746 1.00 0.00 C ATOM 1741 CG GLU B 636 -0.713 -13.343 5.163 1.00 0.00 C ATOM 1742 CD GLU B 636 -0.909 -14.438 6.194 1.00 0.00 C ATOM 1743 OE1 GLU B 636 -1.480 -15.491 5.841 1.00 0.00 O ATOM 1744 OE2 GLU B 636 -0.492 -14.240 7.355 1.00 0.00 O ATOM 0 H GLU B 636 1.379 -12.449 3.868 1.00 0.00 H new ATOM 0 HA GLU B 636 1.054 -15.191 4.055 1.00 0.00 H new ATOM 0 HB2 GLU B 636 -0.914 -13.099 3.048 1.00 0.00 H new ATOM 0 HB3 GLU B 636 -1.341 -14.696 3.630 1.00 0.00 H new ATOM 0 HG2 GLU B 636 0.197 -12.789 5.395 1.00 0.00 H new ATOM 0 HG3 GLU B 636 -1.541 -12.637 5.226 1.00 0.00 H new ATOM 1749 N GLN B 637 0.917 -14.076 0.970 1.00 0.00 N ATOM 1750 CA GLN B 637 0.919 -14.485 -0.428 1.00 0.00 C ATOM 1751 C GLN B 637 2.215 -15.206 -0.783 1.00 0.00 C ATOM 1752 O GLN B 637 2.230 -16.098 -1.631 1.00 0.00 O ATOM 1753 CB GLN B 637 0.731 -13.269 -1.338 1.00 0.00 C ATOM 1754 CG GLN B 637 1.550 -13.336 -2.618 1.00 0.00 C ATOM 1755 CD GLN B 637 2.971 -12.845 -2.428 1.00 0.00 C ATOM 1756 OE1 GLN B 637 3.939 -13.666 -2.818 1.00 0.00 O flip ATOM 1757 NE2 GLN B 637 3.198 -11.739 -1.936 1.00 0.00 N flip ATOM 0 H GLN B 637 1.050 -13.075 1.117 1.00 0.00 H new ATOM 0 HA GLN B 637 0.089 -15.175 -0.579 1.00 0.00 H new ATOM 0 HB2 GLN B 637 -0.324 -13.178 -1.596 1.00 0.00 H new ATOM 0 HB3 GLN B 637 1.004 -12.368 -0.788 1.00 0.00 H new ATOM 0 HG2 GLN B 637 1.570 -14.364 -2.978 1.00 0.00 H new ATOM 0 HG3 GLN B 637 1.063 -12.738 -3.388 1.00 0.00 H new ATOM 0 HE21 GLN B 637 2.424 -11.140 -1.650 1.00 0.00 H new ATOM 0 HE22 GLN B 637 4.160 -11.422 -1.815 1.00 0.00 H new ATOM 1764 N ALA B 638 3.304 -14.812 -0.129 1.00 0.00 N ATOM 1765 CA ALA B 638 4.605 -15.421 -0.374 1.00 0.00 C ATOM 1766 C ALA B 638 4.685 -16.811 0.246 1.00 0.00 C ATOM 1767 O ALA B 638 5.468 -17.653 -0.195 1.00 0.00 O ATOM 1768 CB ALA B 638 5.714 -14.533 0.169 1.00 0.00 C ATOM 0 H ALA B 638 3.310 -14.073 0.575 1.00 0.00 H new ATOM 0 HA ALA B 638 4.734 -15.525 -1.451 1.00 0.00 H new ATOM 0 HB1 ALA B 638 6.680 -15.000 -0.021 1.00 0.00 H new ATOM 0 HB2 ALA B 638 5.677 -13.562 -0.325 1.00 0.00 H new ATOM 0 HB3 ALA B 638 5.580 -14.399 1.243 1.00 0.00 H new ATOM 1774 N ALA B 639 3.874 -17.045 1.272 1.00 0.00 N ATOM 1775 CA ALA B 639 3.853 -18.334 1.952 1.00 0.00 C ATOM 1776 C ALA B 639 3.028 -19.352 1.173 1.00 0.00 C ATOM 1777 O ALA B 639 3.228 -20.561 1.304 1.00 0.00 O ATOM 1778 CB ALA B 639 3.307 -18.178 3.363 1.00 0.00 C ATOM 0 H ALA B 639 3.222 -16.358 1.651 1.00 0.00 H new ATOM 0 HA ALA B 639 4.877 -18.703 2.010 1.00 0.00 H new ATOM 0 HB1 ALA B 639 3.297 -19.149 3.859 1.00 0.00 H new ATOM 0 HB2 ALA B 639 3.940 -17.490 3.924 1.00 0.00 H new ATOM 0 HB3 ALA B 639 2.292 -17.783 3.319 1.00 0.00 H new ATOM 1784 N LEU B 640 2.098 -18.858 0.363 1.00 0.00 N ATOM 1785 CA LEU B 640 1.241 -19.725 -0.437 1.00 0.00 C ATOM 1786 C LEU B 640 1.631 -19.667 -1.911 1.00 0.00 C ATOM 1787 O LEU B 640 0.802 -19.896 -2.792 1.00 0.00 O ATOM 1788 CB LEU B 640 -0.225 -19.322 -0.271 1.00 0.00 C ATOM 1789 CG LEU B 640 -0.679 -19.018 1.158 1.00 0.00 C ATOM 1790 CD1 LEU B 640 -1.998 -18.262 1.150 1.00 0.00 C ATOM 1791 CD2 LEU B 640 -0.805 -20.304 1.962 1.00 0.00 C ATOM 0 H LEU B 640 1.918 -17.861 0.243 1.00 0.00 H new ATOM 0 HA LEU B 640 1.373 -20.748 -0.084 1.00 0.00 H new ATOM 0 HB2 LEU B 640 -0.411 -18.441 -0.885 1.00 0.00 H new ATOM 0 HB3 LEU B 640 -0.849 -20.124 -0.666 1.00 0.00 H new ATOM 0 HG LEU B 640 0.074 -18.388 1.632 1.00 0.00 H new ATOM 0 HD11 LEU B 640 -2.305 -18.055 2.175 1.00 0.00 H new ATOM 0 HD12 LEU B 640 -1.876 -17.323 0.611 1.00 0.00 H new ATOM 0 HD13 LEU B 640 -2.761 -18.866 0.658 1.00 0.00 H new ATOM 0 HD21 LEU B 640 -1.129 -20.069 2.976 1.00 0.00 H new ATOM 0 HD22 LEU B 640 -1.538 -20.958 1.490 1.00 0.00 H new ATOM 0 HD23 LEU B 640 0.161 -20.807 1.997 1.00 0.00 H new ATOM 1802 N GLN B 641 2.898 -19.362 -2.170 1.00 0.00 N ATOM 1803 CA GLN B 641 3.397 -19.277 -3.537 1.00 0.00 C ATOM 1804 C GLN B 641 3.058 -20.540 -4.322 1.00 0.00 C ATOM 1805 O GLN B 641 2.583 -20.470 -5.455 1.00 0.00 O ATOM 1806 CB GLN B 641 4.911 -19.055 -3.537 1.00 0.00 C ATOM 1807 CG GLN B 641 5.321 -17.661 -3.089 1.00 0.00 C ATOM 1808 CD GLN B 641 5.293 -16.652 -4.221 1.00 0.00 C ATOM 1809 OE1 GLN B 641 6.330 -16.314 -4.792 1.00 0.00 O ATOM 1810 NE2 GLN B 641 4.103 -16.166 -4.552 1.00 0.00 N ATOM 0 H GLN B 641 3.597 -19.170 -1.452 1.00 0.00 H new ATOM 0 HA GLN B 641 2.911 -18.430 -4.021 1.00 0.00 H new ATOM 0 HB2 GLN B 641 5.378 -19.790 -2.882 1.00 0.00 H new ATOM 0 HB3 GLN B 641 5.296 -19.233 -4.541 1.00 0.00 H new ATOM 0 HG2 GLN B 641 4.654 -17.328 -2.294 1.00 0.00 H new ATOM 0 HG3 GLN B 641 6.325 -17.700 -2.667 1.00 0.00 H new ATOM 0 HE21 GLN B 641 3.269 -16.474 -4.052 1.00 0.00 H new ATOM 0 HE22 GLN B 641 4.022 -15.484 -5.307 1.00 0.00 H new ATOM 1817 N SER B 642 3.305 -21.694 -3.711 1.00 0.00 N ATOM 1818 CA SER B 642 3.030 -22.974 -4.354 1.00 0.00 C ATOM 1819 C SER B 642 1.573 -23.055 -4.800 1.00 0.00 C ATOM 1820 O SER B 642 1.239 -23.774 -5.741 1.00 0.00 O ATOM 1821 CB SER B 642 3.348 -24.127 -3.400 1.00 0.00 C ATOM 1822 OG SER B 642 4.736 -24.186 -3.117 1.00 0.00 O ATOM 0 H SER B 642 3.695 -21.769 -2.772 1.00 0.00 H new ATOM 0 HA SER B 642 3.667 -23.055 -5.235 1.00 0.00 H new ATOM 0 HB2 SER B 642 2.789 -24.001 -2.473 1.00 0.00 H new ATOM 0 HB3 SER B 642 3.023 -25.069 -3.842 1.00 0.00 H new ATOM 0 HG SER B 642 4.914 -24.930 -2.504 1.00 0.00 H new ATOM 1827 N ALA B 643 0.709 -22.313 -4.115 1.00 0.00 N ATOM 1828 CA ALA B 643 -0.711 -22.298 -4.440 1.00 0.00 C ATOM 1829 C ALA B 643 -0.992 -21.393 -5.635 1.00 0.00 C ATOM 1830 O ALA B 643 -1.925 -21.634 -6.402 1.00 0.00 O ATOM 1831 CB ALA B 643 -1.525 -21.850 -3.235 1.00 0.00 C ATOM 0 H ALA B 643 0.968 -21.714 -3.331 1.00 0.00 H new ATOM 0 HA ALA B 643 -1.006 -23.313 -4.708 1.00 0.00 H new ATOM 0 HB1 ALA B 643 -2.584 -21.844 -3.493 1.00 0.00 H new ATOM 0 HB2 ALA B 643 -1.358 -22.538 -2.407 1.00 0.00 H new ATOM 0 HB3 ALA B 643 -1.217 -20.847 -2.941 1.00 0.00 H new ATOM 1837 N TRP B 644 -0.180 -20.354 -5.787 1.00 0.00 N ATOM 1838 CA TRP B 644 -0.342 -19.413 -6.890 1.00 0.00 C ATOM 1839 C TRP B 644 -0.361 -20.142 -8.229 1.00 0.00 C ATOM 1840 O TRP B 644 0.284 -21.176 -8.392 1.00 0.00 O ATOM 1841 CB TRP B 644 0.785 -18.378 -6.875 1.00 0.00 C ATOM 1842 CG TRP B 644 0.493 -17.170 -7.713 1.00 0.00 C ATOM 1843 CD1 TRP B 644 0.665 -17.049 -9.062 1.00 0.00 C ATOM 1844 CD2 TRP B 644 -0.018 -15.914 -7.257 1.00 0.00 C ATOM 1845 NE1 TRP B 644 0.291 -15.791 -9.472 1.00 0.00 N ATOM 1846 CE2 TRP B 644 -0.133 -15.077 -8.384 1.00 0.00 C ATOM 1847 CE3 TRP B 644 -0.393 -15.414 -6.006 1.00 0.00 C ATOM 1848 CZ2 TRP B 644 -0.605 -13.770 -8.294 1.00 0.00 C ATOM 1849 CZ3 TRP B 644 -0.861 -14.118 -5.919 1.00 0.00 C ATOM 1850 CH2 TRP B 644 -0.965 -13.307 -7.058 1.00 0.00 C ATOM 0 H TRP B 644 0.597 -20.141 -5.161 1.00 0.00 H new ATOM 0 HA TRP B 644 -1.296 -18.902 -6.762 1.00 0.00 H new ATOM 0 HB2 TRP B 644 0.966 -18.063 -5.847 1.00 0.00 H new ATOM 0 HB3 TRP B 644 1.703 -18.846 -7.232 1.00 0.00 H new ATOM 0 HD1 TRP B 644 1.040 -17.827 -9.711 1.00 0.00 H new ATOM 0 HE1 TRP B 644 0.324 -15.446 -10.431 1.00 0.00 H new ATOM 0 HE3 TRP B 644 -0.318 -16.031 -5.123 1.00 0.00 H new ATOM 0 HZ2 TRP B 644 -0.684 -13.143 -9.170 1.00 0.00 H new ATOM 0 HZ3 TRP B 644 -1.152 -13.722 -4.957 1.00 0.00 H new ATOM 0 HH2 TRP B 644 -1.336 -12.298 -6.958 1.00 0.00 H new ATOM 1860 N GLN B 645 -1.105 -19.595 -9.185 1.00 0.00 N ATOM 1861 CA GLN B 645 -1.208 -20.195 -10.510 1.00 0.00 C ATOM 1862 C GLN B 645 -0.257 -19.515 -11.491 1.00 0.00 C ATOM 1863 O GLN B 645 0.629 -20.156 -12.056 1.00 0.00 O ATOM 1864 CB GLN B 645 -2.644 -20.099 -11.026 1.00 0.00 C ATOM 1865 CG GLN B 645 -3.666 -20.745 -10.105 1.00 0.00 C ATOM 1866 CD GLN B 645 -3.660 -22.259 -10.195 1.00 0.00 C ATOM 1867 OE1 GLN B 645 -4.265 -22.840 -11.097 1.00 0.00 O ATOM 1868 NE2 GLN B 645 -2.973 -22.905 -9.261 1.00 0.00 N ATOM 0 H GLN B 645 -1.645 -18.738 -9.067 1.00 0.00 H new ATOM 0 HA GLN B 645 -0.928 -21.245 -10.428 1.00 0.00 H new ATOM 0 HB2 GLN B 645 -2.903 -19.049 -11.162 1.00 0.00 H new ATOM 0 HB3 GLN B 645 -2.701 -20.571 -12.007 1.00 0.00 H new ATOM 0 HG2 GLN B 645 -3.463 -20.445 -9.077 1.00 0.00 H new ATOM 0 HG3 GLN B 645 -4.660 -20.374 -10.355 1.00 0.00 H new ATOM 0 HE21 GLN B 645 -2.487 -22.382 -8.532 1.00 0.00 H new ATOM 0 HE22 GLN B 645 -2.931 -23.924 -9.272 1.00 0.00 H new ATOM 1875 N GLY B 646 -0.446 -18.214 -11.687 1.00 0.00 N ATOM 1876 CA GLY B 646 0.402 -17.470 -12.599 1.00 0.00 C ATOM 1877 C GLY B 646 -0.174 -17.398 -13.998 1.00 0.00 C ATOM 1878 O GLY B 646 0.187 -16.520 -14.782 1.00 0.00 O ATOM 0 H GLY B 646 -1.172 -17.662 -11.230 1.00 0.00 H new ATOM 0 HA2 GLY B 646 0.544 -16.460 -12.216 1.00 0.00 H new ATOM 0 HA3 GLY B 646 1.386 -17.937 -12.638 1.00 0.00 H new ATOM 1882 N ASP B 647 -1.072 -18.325 -14.315 1.00 0.00 N ATOM 1883 CA ASP B 647 -1.699 -18.365 -15.631 1.00 0.00 C ATOM 1884 C ASP B 647 -2.969 -17.519 -15.653 1.00 0.00 C ATOM 1885 O ASP B 647 -3.389 -17.035 -16.705 1.00 0.00 O ATOM 1886 CB ASP B 647 -2.026 -19.807 -16.021 1.00 0.00 C ATOM 1887 CG ASP B 647 -0.816 -20.717 -15.942 1.00 0.00 C ATOM 1888 OD1 ASP B 647 0.097 -20.562 -16.778 1.00 0.00 O ATOM 1889 OD2 ASP B 647 -0.782 -21.583 -15.043 1.00 0.00 O ATOM 0 H ASP B 647 -1.382 -19.059 -13.678 1.00 0.00 H new ATOM 0 HA ASP B 647 -0.995 -17.952 -16.354 1.00 0.00 H new ATOM 0 HB2 ASP B 647 -2.808 -20.189 -15.365 1.00 0.00 H new ATOM 0 HB3 ASP B 647 -2.424 -19.824 -17.035 1.00 0.00 H new ATOM 1893 N THR B 648 -3.578 -17.343 -14.484 1.00 0.00 N ATOM 1894 CA THR B 648 -4.800 -16.558 -14.369 1.00 0.00 C ATOM 1895 C THR B 648 -4.538 -15.086 -14.665 1.00 0.00 C ATOM 1896 O THR B 648 -5.420 -14.372 -15.139 1.00 0.00 O ATOM 1897 CB THR B 648 -5.420 -16.685 -12.964 1.00 0.00 C ATOM 1898 OG1 THR B 648 -4.385 -16.735 -11.976 1.00 0.00 O ATOM 1899 CG2 THR B 648 -6.285 -17.932 -12.864 1.00 0.00 C ATOM 0 H THR B 648 -3.244 -17.734 -13.603 1.00 0.00 H new ATOM 0 HA THR B 648 -5.500 -16.955 -15.104 1.00 0.00 H new ATOM 0 HB THR B 648 -6.049 -15.812 -12.788 1.00 0.00 H new ATOM 0 HG1 THR B 648 -4.689 -17.265 -11.210 1.00 0.00 H new ATOM 0 HG21 THR B 648 -6.711 -18.000 -11.863 1.00 0.00 H new ATOM 0 HG22 THR B 648 -7.089 -17.877 -13.598 1.00 0.00 H new ATOM 0 HG23 THR B 648 -5.675 -18.814 -13.059 1.00 0.00 H new ATOM 1907 N GLY B 649 -3.318 -14.639 -14.384 1.00 0.00 N ATOM 1908 CA GLY B 649 -2.961 -13.253 -14.628 1.00 0.00 C ATOM 1909 C GLY B 649 -1.630 -12.879 -14.007 1.00 0.00 C ATOM 1910 O GLY B 649 -0.586 -13.395 -14.405 1.00 0.00 O ATOM 0 H GLY B 649 -2.570 -15.211 -13.992 1.00 0.00 H new ATOM 0 HA2 GLY B 649 -2.920 -13.076 -15.703 1.00 0.00 H new ATOM 0 HA3 GLY B 649 -3.740 -12.604 -14.228 1.00 0.00 H new ATOM 1914 N ILE B 650 -1.666 -11.979 -13.029 1.00 0.00 N ATOM 1915 CA ILE B 650 -0.453 -11.537 -12.355 1.00 0.00 C ATOM 1916 C ILE B 650 0.338 -12.722 -11.814 1.00 0.00 C ATOM 1917 O ILE B 650 -0.236 -13.707 -11.347 1.00 0.00 O ATOM 1918 CB ILE B 650 -0.773 -10.576 -11.195 1.00 0.00 C ATOM 1919 CG1 ILE B 650 -1.534 -9.353 -11.712 1.00 0.00 C ATOM 1920 CG2 ILE B 650 0.506 -10.151 -10.490 1.00 0.00 C ATOM 1921 CD1 ILE B 650 -1.897 -8.363 -10.627 1.00 0.00 C ATOM 0 H ILE B 650 -2.522 -11.543 -12.687 1.00 0.00 H new ATOM 0 HA ILE B 650 0.147 -11.011 -13.098 1.00 0.00 H new ATOM 0 HB ILE B 650 -1.405 -11.097 -10.476 1.00 0.00 H new ATOM 0 HG12 ILE B 650 -0.927 -8.849 -12.464 1.00 0.00 H new ATOM 0 HG13 ILE B 650 -2.445 -9.686 -12.209 1.00 0.00 H new ATOM 0 HG21 ILE B 650 0.263 -9.472 -9.673 1.00 0.00 H new ATOM 0 HG22 ILE B 650 1.012 -11.031 -10.092 1.00 0.00 H new ATOM 0 HG23 ILE B 650 1.161 -9.645 -11.199 1.00 0.00 H new ATOM 0 HD11 ILE B 650 -2.434 -7.522 -11.066 1.00 0.00 H new ATOM 0 HD12 ILE B 650 -2.530 -8.851 -9.886 1.00 0.00 H new ATOM 0 HD13 ILE B 650 -0.988 -8.001 -10.146 1.00 0.00 H new ATOM 1932 N THR B 651 1.662 -12.621 -11.876 1.00 0.00 N ATOM 1933 CA THR B 651 2.535 -13.684 -11.393 1.00 0.00 C ATOM 1934 C THR B 651 3.086 -13.356 -10.010 1.00 0.00 C ATOM 1935 O THR B 651 2.845 -12.274 -9.475 1.00 0.00 O ATOM 1936 CB THR B 651 3.710 -13.930 -12.357 1.00 0.00 C ATOM 1937 OG1 THR B 651 3.413 -13.373 -13.642 1.00 0.00 O ATOM 1938 CG2 THR B 651 3.993 -15.419 -12.497 1.00 0.00 C ATOM 0 H THR B 651 2.154 -11.813 -12.257 1.00 0.00 H new ATOM 0 HA THR B 651 1.929 -14.588 -11.335 1.00 0.00 H new ATOM 0 HB THR B 651 4.596 -13.445 -11.947 1.00 0.00 H new ATOM 0 HG1 THR B 651 4.166 -13.532 -14.249 1.00 0.00 H new ATOM 0 HG21 THR B 651 4.827 -15.568 -13.183 1.00 0.00 H new ATOM 0 HG22 THR B 651 4.247 -15.834 -11.522 1.00 0.00 H new ATOM 0 HG23 THR B 651 3.108 -15.922 -12.887 1.00 0.00 H new ATOM 1946 N TYR B 652 3.829 -14.296 -9.437 1.00 0.00 N ATOM 1947 CA TYR B 652 4.415 -14.107 -8.115 1.00 0.00 C ATOM 1948 C TYR B 652 5.454 -12.990 -8.134 1.00 0.00 C ATOM 1949 O TYR B 652 5.546 -12.198 -7.196 1.00 0.00 O ATOM 1950 CB TYR B 652 5.057 -15.407 -7.627 1.00 0.00 C ATOM 1951 CG TYR B 652 6.197 -15.884 -8.499 1.00 0.00 C ATOM 1952 CD1 TYR B 652 5.962 -16.703 -9.596 1.00 0.00 C ATOM 1953 CD2 TYR B 652 7.508 -15.515 -8.225 1.00 0.00 C ATOM 1954 CE1 TYR B 652 7.000 -17.142 -10.395 1.00 0.00 C ATOM 1955 CE2 TYR B 652 8.552 -15.948 -9.019 1.00 0.00 C ATOM 1956 CZ TYR B 652 8.293 -16.761 -10.103 1.00 0.00 C ATOM 1957 OH TYR B 652 9.331 -17.195 -10.896 1.00 0.00 O ATOM 0 H TYR B 652 4.040 -15.197 -9.867 1.00 0.00 H new ATOM 0 HA TYR B 652 3.616 -13.824 -7.429 1.00 0.00 H new ATOM 0 HB2 TYR B 652 5.424 -15.262 -6.611 1.00 0.00 H new ATOM 0 HB3 TYR B 652 4.295 -16.185 -7.583 1.00 0.00 H new ATOM 0 HD1 TYR B 652 4.950 -17.002 -9.828 1.00 0.00 H new ATOM 0 HD2 TYR B 652 7.714 -14.879 -7.377 1.00 0.00 H new ATOM 0 HE1 TYR B 652 6.800 -17.780 -11.243 1.00 0.00 H new ATOM 0 HE2 TYR B 652 9.566 -15.652 -8.792 1.00 0.00 H new ATOM 0 HH TYR B 652 10.176 -16.836 -10.554 1.00 0.00 H new ATOM 1966 N GLN B 653 6.233 -12.933 -9.209 1.00 0.00 N ATOM 1967 CA GLN B 653 7.266 -11.914 -9.351 1.00 0.00 C ATOM 1968 C GLN B 653 6.648 -10.554 -9.662 1.00 0.00 C ATOM 1969 O GLN B 653 7.090 -9.528 -9.143 1.00 0.00 O ATOM 1970 CB GLN B 653 8.250 -12.305 -10.455 1.00 0.00 C ATOM 1971 CG GLN B 653 7.599 -12.476 -11.818 1.00 0.00 C ATOM 1972 CD GLN B 653 8.435 -13.315 -12.763 1.00 0.00 C ATOM 1973 OE1 GLN B 653 8.623 -14.512 -12.547 1.00 0.00 O ATOM 1974 NE2 GLN B 653 8.943 -12.690 -13.819 1.00 0.00 N ATOM 0 H GLN B 653 6.168 -13.581 -9.994 1.00 0.00 H new ATOM 0 HA GLN B 653 7.803 -11.842 -8.405 1.00 0.00 H new ATOM 0 HB2 GLN B 653 9.026 -11.543 -10.525 1.00 0.00 H new ATOM 0 HB3 GLN B 653 8.743 -13.237 -10.178 1.00 0.00 H new ATOM 0 HG2 GLN B 653 6.621 -12.941 -11.693 1.00 0.00 H new ATOM 0 HG3 GLN B 653 7.431 -11.495 -12.262 1.00 0.00 H new ATOM 0 HE21 GLN B 653 8.762 -11.696 -13.959 1.00 0.00 H new ATOM 0 HE22 GLN B 653 9.514 -13.204 -14.490 1.00 0.00 H new ATOM 1981 N ALA B 654 5.627 -10.553 -10.512 1.00 0.00 N ATOM 1982 CA ALA B 654 4.949 -9.320 -10.890 1.00 0.00 C ATOM 1983 C ALA B 654 4.141 -8.758 -9.726 1.00 0.00 C ATOM 1984 O ALA B 654 4.126 -7.548 -9.495 1.00 0.00 O ATOM 1985 CB ALA B 654 4.048 -9.561 -12.092 1.00 0.00 C ATOM 0 H ALA B 654 5.251 -11.393 -10.952 1.00 0.00 H new ATOM 0 HA ALA B 654 5.708 -8.585 -11.159 1.00 0.00 H new ATOM 0 HB1 ALA B 654 3.548 -8.632 -12.364 1.00 0.00 H new ATOM 0 HB2 ALA B 654 4.648 -9.909 -12.933 1.00 0.00 H new ATOM 0 HB3 ALA B 654 3.302 -10.315 -11.842 1.00 0.00 H new ATOM 1991 N TRP B 655 3.471 -9.643 -8.995 1.00 0.00 N ATOM 1992 CA TRP B 655 2.661 -9.233 -7.854 1.00 0.00 C ATOM 1993 C TRP B 655 3.535 -8.679 -6.735 1.00 0.00 C ATOM 1994 O TRP B 655 3.318 -7.565 -6.261 1.00 0.00 O ATOM 1995 CB TRP B 655 1.837 -10.415 -7.338 1.00 0.00 C ATOM 1996 CG TRP B 655 0.739 -10.010 -6.401 1.00 0.00 C ATOM 1997 CD1 TRP B 655 -0.578 -9.829 -6.712 1.00 0.00 C ATOM 1998 CD2 TRP B 655 0.865 -9.733 -5.002 1.00 0.00 C ATOM 1999 NE1 TRP B 655 -1.279 -9.456 -5.590 1.00 0.00 N ATOM 2000 CE2 TRP B 655 -0.417 -9.392 -4.528 1.00 0.00 C ATOM 2001 CE3 TRP B 655 1.935 -9.743 -4.103 1.00 0.00 C ATOM 2002 CZ2 TRP B 655 -0.654 -9.063 -3.196 1.00 0.00 C ATOM 2003 CZ3 TRP B 655 1.698 -9.416 -2.782 1.00 0.00 C ATOM 2004 CH2 TRP B 655 0.412 -9.081 -2.339 1.00 0.00 C ATOM 0 H TRP B 655 3.473 -10.647 -9.172 1.00 0.00 H new ATOM 0 HA TRP B 655 1.986 -8.444 -8.184 1.00 0.00 H new ATOM 0 HB2 TRP B 655 1.404 -10.945 -8.187 1.00 0.00 H new ATOM 0 HB3 TRP B 655 2.499 -11.116 -6.829 1.00 0.00 H new ATOM 0 HD1 TRP B 655 -1.006 -9.960 -7.695 1.00 0.00 H new ATOM 0 HE1 TRP B 655 -2.279 -9.259 -5.554 1.00 0.00 H new ATOM 0 HE3 TRP B 655 2.930 -10.002 -4.435 1.00 0.00 H new ATOM 0 HZ2 TRP B 655 -1.644 -8.803 -2.852 1.00 0.00 H new ATOM 0 HZ3 TRP B 655 2.518 -9.419 -2.079 1.00 0.00 H new ATOM 0 HH2 TRP B 655 0.259 -8.832 -1.299 1.00 0.00 H new ATOM 2014 N GLN B 656 4.523 -9.465 -6.318 1.00 0.00 N ATOM 2015 CA GLN B 656 5.429 -9.051 -5.254 1.00 0.00 C ATOM 2016 C GLN B 656 6.049 -7.692 -5.563 1.00 0.00 C ATOM 2017 O GLN B 656 6.396 -6.937 -4.656 1.00 0.00 O ATOM 2018 CB GLN B 656 6.531 -10.095 -5.060 1.00 0.00 C ATOM 2019 CG GLN B 656 6.049 -11.373 -4.392 1.00 0.00 C ATOM 2020 CD GLN B 656 6.665 -11.586 -3.024 1.00 0.00 C ATOM 2021 OE1 GLN B 656 5.912 -11.266 -1.978 1.00 0.00 O flip ATOM 2022 NE2 GLN B 656 7.807 -12.032 -2.908 1.00 0.00 N flip ATOM 0 H GLN B 656 4.716 -10.391 -6.701 1.00 0.00 H new ATOM 0 HA GLN B 656 4.852 -8.965 -4.333 1.00 0.00 H new ATOM 0 HB2 GLN B 656 6.960 -10.342 -6.031 1.00 0.00 H new ATOM 0 HB3 GLN B 656 7.330 -9.660 -4.459 1.00 0.00 H new ATOM 0 HG2 GLN B 656 4.964 -11.341 -4.296 1.00 0.00 H new ATOM 0 HG3 GLN B 656 6.288 -12.224 -5.030 1.00 0.00 H new ATOM 0 HE21 GLN B 656 8.350 -12.265 -3.739 1.00 0.00 H new ATOM 0 HE22 GLN B 656 8.209 -12.169 -1.981 1.00 0.00 H new ATOM 2029 N ALA B 657 6.184 -7.389 -6.850 1.00 0.00 N ATOM 2030 CA ALA B 657 6.760 -6.121 -7.279 1.00 0.00 C ATOM 2031 C ALA B 657 5.706 -5.018 -7.301 1.00 0.00 C ATOM 2032 O ALA B 657 5.880 -3.968 -6.685 1.00 0.00 O ATOM 2033 CB ALA B 657 7.400 -6.269 -8.651 1.00 0.00 C ATOM 0 H ALA B 657 5.902 -8.004 -7.613 1.00 0.00 H new ATOM 0 HA ALA B 657 7.529 -5.838 -6.560 1.00 0.00 H new ATOM 0 HB1 ALA B 657 7.826 -5.314 -8.959 1.00 0.00 H new ATOM 0 HB2 ALA B 657 8.188 -7.020 -8.606 1.00 0.00 H new ATOM 0 HB3 ALA B 657 6.645 -6.579 -9.373 1.00 0.00 H new ATOM 2039 N GLN B 658 4.612 -5.266 -8.016 1.00 0.00 N ATOM 2040 CA GLN B 658 3.531 -4.294 -8.119 1.00 0.00 C ATOM 2041 C GLN B 658 3.015 -3.905 -6.737 1.00 0.00 C ATOM 2042 O GLN B 658 2.900 -2.722 -6.418 1.00 0.00 O ATOM 2043 CB GLN B 658 2.388 -4.859 -8.963 1.00 0.00 C ATOM 2044 CG GLN B 658 2.540 -4.591 -10.452 1.00 0.00 C ATOM 2045 CD GLN B 658 1.535 -5.358 -11.289 1.00 0.00 C ATOM 2046 OE1 GLN B 658 0.831 -4.781 -12.118 1.00 0.00 O ATOM 2047 NE2 GLN B 658 1.465 -6.667 -11.077 1.00 0.00 N ATOM 0 H GLN B 658 4.452 -6.131 -8.532 1.00 0.00 H new ATOM 0 HA GLN B 658 3.924 -3.401 -8.604 1.00 0.00 H new ATOM 0 HB2 GLN B 658 2.325 -5.935 -8.801 1.00 0.00 H new ATOM 0 HB3 GLN B 658 1.447 -4.429 -8.619 1.00 0.00 H new ATOM 0 HG2 GLN B 658 2.423 -3.524 -10.639 1.00 0.00 H new ATOM 0 HG3 GLN B 658 3.549 -4.861 -10.765 1.00 0.00 H new ATOM 0 HE21 GLN B 658 2.068 -7.104 -10.380 1.00 0.00 H new ATOM 0 HE22 GLN B 658 0.808 -7.236 -11.612 1.00 0.00 H new ATOM 2054 N TRP B 659 2.705 -4.907 -5.923 1.00 0.00 N ATOM 2055 CA TRP B 659 2.200 -4.669 -4.576 1.00 0.00 C ATOM 2056 C TRP B 659 3.117 -3.720 -3.811 1.00 0.00 C ATOM 2057 O TRP B 659 2.677 -2.682 -3.319 1.00 0.00 O ATOM 2058 CB TRP B 659 2.069 -5.992 -3.818 1.00 0.00 C ATOM 2059 CG TRP B 659 1.537 -5.828 -2.427 1.00 0.00 C ATOM 2060 CD1 TRP B 659 2.267 -5.724 -1.277 1.00 0.00 C ATOM 2061 CD2 TRP B 659 0.161 -5.750 -2.039 1.00 0.00 C ATOM 2062 NE1 TRP B 659 1.429 -5.587 -0.198 1.00 0.00 N ATOM 2063 CE2 TRP B 659 0.131 -5.599 -0.637 1.00 0.00 C ATOM 2064 CE3 TRP B 659 -1.048 -5.792 -2.737 1.00 0.00 C ATOM 2065 CZ2 TRP B 659 -1.061 -5.491 0.074 1.00 0.00 C ATOM 2066 CZ3 TRP B 659 -2.230 -5.684 -2.030 1.00 0.00 C ATOM 2067 CH2 TRP B 659 -2.230 -5.535 -0.637 1.00 0.00 C ATOM 0 H TRP B 659 2.794 -5.892 -6.172 1.00 0.00 H new ATOM 0 HA TRP B 659 1.217 -4.206 -4.659 1.00 0.00 H new ATOM 0 HB2 TRP B 659 1.410 -6.658 -4.375 1.00 0.00 H new ATOM 0 HB3 TRP B 659 3.045 -6.474 -3.772 1.00 0.00 H new ATOM 0 HD1 TRP B 659 3.345 -5.746 -1.224 1.00 0.00 H new ATOM 0 HE1 TRP B 659 1.725 -5.492 0.773 1.00 0.00 H new ATOM 0 HE3 TRP B 659 -1.059 -5.907 -3.811 1.00 0.00 H new ATOM 0 HZ2 TRP B 659 -1.063 -5.377 1.148 1.00 0.00 H new ATOM 0 HZ3 TRP B 659 -3.170 -5.715 -2.560 1.00 0.00 H new ATOM 0 HH2 TRP B 659 -3.171 -5.453 -0.114 1.00 0.00 H new ATOM 2077 N ASN B 660 4.392 -4.082 -3.718 1.00 0.00 N ATOM 2078 CA ASN B 660 5.370 -3.262 -3.012 1.00 0.00 C ATOM 2079 C ASN B 660 5.329 -1.820 -3.508 1.00 0.00 C ATOM 2080 O ASN B 660 5.302 -0.881 -2.714 1.00 0.00 O ATOM 2081 CB ASN B 660 6.776 -3.836 -3.196 1.00 0.00 C ATOM 2082 CG ASN B 660 7.145 -4.824 -2.106 1.00 0.00 C ATOM 2083 OD1 ASN B 660 6.424 -5.791 -1.859 1.00 0.00 O ATOM 2084 ND2 ASN B 660 8.272 -4.583 -1.447 1.00 0.00 N ATOM 0 H ASN B 660 4.772 -4.938 -4.123 1.00 0.00 H new ATOM 0 HA ASN B 660 5.117 -3.271 -1.952 1.00 0.00 H new ATOM 0 HB2 ASN B 660 6.840 -4.329 -4.166 1.00 0.00 H new ATOM 0 HB3 ASN B 660 7.500 -3.021 -3.204 1.00 0.00 H new ATOM 0 HD21 ASN B 660 8.572 -5.212 -0.702 1.00 0.00 H new ATOM 0 HD22 ASN B 660 8.838 -3.769 -1.686 1.00 0.00 H new ATOM 2090 N GLN B 661 5.323 -1.653 -4.827 1.00 0.00 N ATOM 2091 CA GLN B 661 5.285 -0.325 -5.429 1.00 0.00 C ATOM 2092 C GLN B 661 4.001 0.406 -5.052 1.00 0.00 C ATOM 2093 O GLN B 661 3.989 1.629 -4.915 1.00 0.00 O ATOM 2094 CB GLN B 661 5.399 -0.429 -6.951 1.00 0.00 C ATOM 2095 CG GLN B 661 6.767 -0.885 -7.428 1.00 0.00 C ATOM 2096 CD GLN B 661 7.839 0.167 -7.221 1.00 0.00 C ATOM 2097 OE1 GLN B 661 7.577 1.366 -7.324 1.00 0.00 O ATOM 2098 NE2 GLN B 661 9.056 -0.276 -6.924 1.00 0.00 N ATOM 0 H GLN B 661 5.344 -2.420 -5.499 1.00 0.00 H new ATOM 0 HA GLN B 661 6.132 0.245 -5.047 1.00 0.00 H new ATOM 0 HB2 GLN B 661 4.645 -1.126 -7.317 1.00 0.00 H new ATOM 0 HB3 GLN B 661 5.175 0.543 -7.391 1.00 0.00 H new ATOM 0 HG2 GLN B 661 7.048 -1.794 -6.896 1.00 0.00 H new ATOM 0 HG3 GLN B 661 6.712 -1.139 -8.487 1.00 0.00 H new ATOM 0 HE21 GLN B 661 9.230 -1.278 -6.848 1.00 0.00 H new ATOM 0 HE22 GLN B 661 9.817 0.386 -6.772 1.00 0.00 H new ATOM 2105 N ALA B 662 2.920 -0.351 -4.886 1.00 0.00 N ATOM 2106 CA ALA B 662 1.632 0.226 -4.524 1.00 0.00 C ATOM 2107 C ALA B 662 1.660 0.784 -3.105 1.00 0.00 C ATOM 2108 O ALA B 662 1.341 1.951 -2.880 1.00 0.00 O ATOM 2109 CB ALA B 662 0.531 -0.814 -4.662 1.00 0.00 C ATOM 0 H ALA B 662 2.912 -1.365 -4.997 1.00 0.00 H new ATOM 0 HA ALA B 662 1.426 1.050 -5.207 1.00 0.00 H new ATOM 0 HB1 ALA B 662 -0.426 -0.369 -4.388 1.00 0.00 H new ATOM 0 HB2 ALA B 662 0.487 -1.163 -5.694 1.00 0.00 H new ATOM 0 HB3 ALA B 662 0.741 -1.656 -4.003 1.00 0.00 H new ATOM 2115 N MET B 663 2.042 -0.058 -2.150 1.00 0.00 N ATOM 2116 CA MET B 663 2.112 0.352 -0.753 1.00 0.00 C ATOM 2117 C MET B 663 3.062 1.533 -0.579 1.00 0.00 C ATOM 2118 O MET B 663 2.697 2.554 0.003 1.00 0.00 O ATOM 2119 CB MET B 663 2.567 -0.817 0.122 1.00 0.00 C ATOM 2120 CG MET B 663 1.797 -2.103 -0.131 1.00 0.00 C ATOM 2121 SD MET B 663 0.012 -1.872 -0.032 1.00 0.00 S ATOM 2122 CE MET B 663 -0.119 -0.867 1.445 1.00 0.00 C ATOM 0 H MET B 663 2.308 -1.028 -2.319 1.00 0.00 H new ATOM 0 HA MET B 663 1.115 0.662 -0.442 1.00 0.00 H new ATOM 0 HB2 MET B 663 3.628 -0.998 -0.052 1.00 0.00 H new ATOM 0 HB3 MET B 663 2.459 -0.539 1.170 1.00 0.00 H new ATOM 0 HG2 MET B 663 2.056 -2.489 -1.117 1.00 0.00 H new ATOM 0 HG3 MET B 663 2.103 -2.855 0.596 1.00 0.00 H new ATOM 0 HE1 MET B 663 -1.169 -0.655 1.649 1.00 0.00 H new ATOM 0 HE2 MET B 663 0.314 -1.403 2.290 1.00 0.00 H new ATOM 0 HE3 MET B 663 0.418 0.070 1.296 1.00 0.00 H new ATOM 2130 N GLU B 664 4.281 1.385 -1.088 1.00 0.00 N ATOM 2131 CA GLU B 664 5.283 2.441 -0.988 1.00 0.00 C ATOM 2132 C GLU B 664 4.728 3.768 -1.498 1.00 0.00 C ATOM 2133 O GLU B 664 5.095 4.835 -1.007 1.00 0.00 O ATOM 2134 CB GLU B 664 6.536 2.061 -1.778 1.00 0.00 C ATOM 2135 CG GLU B 664 7.624 3.122 -1.741 1.00 0.00 C ATOM 2136 CD GLU B 664 9.014 2.539 -1.911 1.00 0.00 C ATOM 2137 OE1 GLU B 664 9.121 1.384 -2.375 1.00 0.00 O ATOM 2138 OE2 GLU B 664 9.994 3.237 -1.578 1.00 0.00 O ATOM 0 H GLU B 664 4.599 0.546 -1.573 1.00 0.00 H new ATOM 0 HA GLU B 664 5.547 2.558 0.063 1.00 0.00 H new ATOM 0 HB2 GLU B 664 6.936 1.128 -1.381 1.00 0.00 H new ATOM 0 HB3 GLU B 664 6.258 1.873 -2.815 1.00 0.00 H new ATOM 0 HG2 GLU B 664 7.441 3.852 -2.530 1.00 0.00 H new ATOM 0 HG3 GLU B 664 7.572 3.657 -0.793 1.00 0.00 H new ATOM 2143 N ASP B 665 3.844 3.691 -2.486 1.00 0.00 N ATOM 2144 CA ASP B 665 3.238 4.886 -3.064 1.00 0.00 C ATOM 2145 C ASP B 665 2.232 5.505 -2.100 1.00 0.00 C ATOM 2146 O ASP B 665 2.287 6.701 -1.812 1.00 0.00 O ATOM 2147 CB ASP B 665 2.553 4.546 -4.388 1.00 0.00 C ATOM 2148 CG ASP B 665 2.485 5.734 -5.326 1.00 0.00 C ATOM 2149 OD1 ASP B 665 2.950 6.826 -4.937 1.00 0.00 O ATOM 2150 OD2 ASP B 665 1.967 5.573 -6.452 1.00 0.00 O ATOM 0 H ASP B 665 3.531 2.815 -2.904 1.00 0.00 H new ATOM 0 HA ASP B 665 4.029 5.612 -3.250 1.00 0.00 H new ATOM 0 HB2 ASP B 665 3.092 3.733 -4.874 1.00 0.00 H new ATOM 0 HB3 ASP B 665 1.544 4.185 -4.189 1.00 0.00 H new ATOM 2154 N LEU B 666 1.313 4.683 -1.604 1.00 0.00 N ATOM 2155 CA LEU B 666 0.292 5.150 -0.672 1.00 0.00 C ATOM 2156 C LEU B 666 0.928 5.831 0.535 1.00 0.00 C ATOM 2157 O LEU B 666 0.513 6.919 0.938 1.00 0.00 O ATOM 2158 CB LEU B 666 -0.580 3.980 -0.211 1.00 0.00 C ATOM 2159 CG LEU B 666 -1.149 3.092 -1.318 1.00 0.00 C ATOM 2160 CD1 LEU B 666 -1.214 1.644 -0.857 1.00 0.00 C ATOM 2161 CD2 LEU B 666 -2.526 3.582 -1.741 1.00 0.00 C ATOM 0 H LEU B 666 1.254 3.690 -1.832 1.00 0.00 H new ATOM 0 HA LEU B 666 -0.332 5.878 -1.190 1.00 0.00 H new ATOM 0 HB2 LEU B 666 0.009 3.356 0.461 1.00 0.00 H new ATOM 0 HB3 LEU B 666 -1.411 4.379 0.371 1.00 0.00 H new ATOM 0 HG LEU B 666 -0.486 3.149 -2.181 1.00 0.00 H new ATOM 0 HD11 LEU B 666 -1.621 1.025 -1.657 1.00 0.00 H new ATOM 0 HD12 LEU B 666 -0.212 1.297 -0.605 1.00 0.00 H new ATOM 0 HD13 LEU B 666 -1.855 1.570 0.021 1.00 0.00 H new ATOM 0 HD21 LEU B 666 -2.915 2.938 -2.530 1.00 0.00 H new ATOM 0 HD22 LEU B 666 -3.200 3.556 -0.885 1.00 0.00 H new ATOM 0 HD23 LEU B 666 -2.450 4.604 -2.112 1.00 0.00 H new ATOM 2172 N VAL B 667 1.938 5.186 1.108 1.00 0.00 N ATOM 2173 CA VAL B 667 2.634 5.730 2.269 1.00 0.00 C ATOM 2174 C VAL B 667 3.081 7.166 2.018 1.00 0.00 C ATOM 2175 O VAL B 667 2.811 8.060 2.819 1.00 0.00 O ATOM 2176 CB VAL B 667 3.865 4.879 2.636 1.00 0.00 C ATOM 2177 CG1 VAL B 667 4.603 5.490 3.817 1.00 0.00 C ATOM 2178 CG2 VAL B 667 3.449 3.447 2.938 1.00 0.00 C ATOM 0 H VAL B 667 2.293 4.285 0.788 1.00 0.00 H new ATOM 0 HA VAL B 667 1.927 5.711 3.099 1.00 0.00 H new ATOM 0 HB VAL B 667 4.544 4.864 1.784 1.00 0.00 H new ATOM 0 HG11 VAL B 667 5.469 4.876 4.062 1.00 0.00 H new ATOM 0 HG12 VAL B 667 4.933 6.496 3.559 1.00 0.00 H new ATOM 0 HG13 VAL B 667 3.936 5.537 4.678 1.00 0.00 H new ATOM 0 HG21 VAL B 667 4.330 2.859 3.195 1.00 0.00 H new ATOM 0 HG22 VAL B 667 2.751 3.440 3.775 1.00 0.00 H new ATOM 0 HG23 VAL B 667 2.968 3.015 2.060 1.00 0.00 H new ATOM 2188 N ARG B 668 3.764 7.380 0.898 1.00 0.00 N ATOM 2189 CA ARG B 668 4.250 8.708 0.541 1.00 0.00 C ATOM 2190 C ARG B 668 3.092 9.622 0.152 1.00 0.00 C ATOM 2191 O ARG B 668 3.154 10.836 0.347 1.00 0.00 O ATOM 2192 CB ARG B 668 5.251 8.616 -0.611 1.00 0.00 C ATOM 2193 CG ARG B 668 6.572 7.973 -0.222 1.00 0.00 C ATOM 2194 CD ARG B 668 7.600 8.092 -1.335 1.00 0.00 C ATOM 2195 NE ARG B 668 8.662 9.039 -1.001 1.00 0.00 N ATOM 2196 CZ ARG B 668 9.705 9.280 -1.786 1.00 0.00 C ATOM 2197 NH1 ARG B 668 9.826 8.648 -2.946 1.00 0.00 N ATOM 2198 NH2 ARG B 668 10.630 10.155 -1.412 1.00 0.00 N ATOM 0 H ARG B 668 3.993 6.651 0.222 1.00 0.00 H new ATOM 0 HA ARG B 668 4.749 9.132 1.412 1.00 0.00 H new ATOM 0 HB2 ARG B 668 4.804 8.044 -1.424 1.00 0.00 H new ATOM 0 HB3 ARG B 668 5.444 9.618 -0.994 1.00 0.00 H new ATOM 0 HG2 ARG B 668 6.956 8.447 0.681 1.00 0.00 H new ATOM 0 HG3 ARG B 668 6.410 6.921 0.014 1.00 0.00 H new ATOM 0 HD2 ARG B 668 8.036 7.113 -1.532 1.00 0.00 H new ATOM 0 HD3 ARG B 668 7.106 8.411 -2.253 1.00 0.00 H new ATOM 0 HE ARG B 668 8.598 9.542 -0.116 1.00 0.00 H new ATOM 0 HH11 ARG B 668 9.117 7.975 -3.237 1.00 0.00 H new ATOM 0 HH12 ARG B 668 10.628 8.835 -3.547 1.00 0.00 H new ATOM 0 HH21 ARG B 668 10.540 10.643 -0.521 1.00 0.00 H new ATOM 0 HH22 ARG B 668 11.431 10.340 -2.016 1.00 0.00 H new ATOM 2209 N ALA B 669 2.038 9.032 -0.401 1.00 0.00 N ATOM 2210 CA ALA B 669 0.866 9.792 -0.817 1.00 0.00 C ATOM 2211 C ALA B 669 0.300 10.606 0.342 1.00 0.00 C ATOM 2212 O ALA B 669 0.055 11.805 0.210 1.00 0.00 O ATOM 2213 CB ALA B 669 -0.198 8.860 -1.378 1.00 0.00 C ATOM 0 H ALA B 669 1.972 8.029 -0.572 1.00 0.00 H new ATOM 0 HA ALA B 669 1.174 10.486 -1.599 1.00 0.00 H new ATOM 0 HB1 ALA B 669 -1.067 9.442 -1.684 1.00 0.00 H new ATOM 0 HB2 ALA B 669 0.203 8.326 -2.240 1.00 0.00 H new ATOM 0 HB3 ALA B 669 -0.494 8.143 -0.612 1.00 0.00 H new ATOM 2219 N TYR B 670 0.095 9.946 1.477 1.00 0.00 N ATOM 2220 CA TYR B 670 -0.446 10.608 2.658 1.00 0.00 C ATOM 2221 C TYR B 670 0.486 11.718 3.135 1.00 0.00 C ATOM 2222 O TYR B 670 0.053 12.844 3.383 1.00 0.00 O ATOM 2223 CB TYR B 670 -0.665 9.593 3.782 1.00 0.00 C ATOM 2224 CG TYR B 670 -1.021 10.226 5.108 1.00 0.00 C ATOM 2225 CD1 TYR B 670 -2.212 10.923 5.270 1.00 0.00 C ATOM 2226 CD2 TYR B 670 -0.167 10.125 6.200 1.00 0.00 C ATOM 2227 CE1 TYR B 670 -2.541 11.503 6.481 1.00 0.00 C ATOM 2228 CE2 TYR B 670 -0.489 10.700 7.414 1.00 0.00 C ATOM 2229 CZ TYR B 670 -1.676 11.389 7.549 1.00 0.00 C ATOM 2230 OH TYR B 670 -2.001 11.964 8.757 1.00 0.00 O ATOM 0 H TYR B 670 0.295 8.954 1.604 1.00 0.00 H new ATOM 0 HA TYR B 670 -1.403 11.053 2.387 1.00 0.00 H new ATOM 0 HB2 TYR B 670 -1.461 8.907 3.491 1.00 0.00 H new ATOM 0 HB3 TYR B 670 0.240 8.998 3.904 1.00 0.00 H new ATOM 0 HD1 TYR B 670 -2.892 11.013 4.436 1.00 0.00 H new ATOM 0 HD2 TYR B 670 0.764 9.588 6.098 1.00 0.00 H new ATOM 0 HE1 TYR B 670 -3.470 12.042 6.590 1.00 0.00 H new ATOM 0 HE2 TYR B 670 0.185 10.610 8.253 1.00 0.00 H new ATOM 0 HH TYR B 670 -2.871 12.409 8.684 1.00 0.00 H new ATOM 2239 N HIS B 671 1.769 11.391 3.262 1.00 0.00 N ATOM 2240 CA HIS B 671 2.764 12.360 3.708 1.00 0.00 C ATOM 2241 C HIS B 671 2.890 13.507 2.709 1.00 0.00 C ATOM 2242 O HIS B 671 3.343 14.598 3.057 1.00 0.00 O ATOM 2243 CB HIS B 671 4.121 11.679 3.894 1.00 0.00 C ATOM 2244 CG HIS B 671 5.137 12.548 4.568 1.00 0.00 C ATOM 2245 ND1 HIS B 671 6.487 12.480 4.291 1.00 0.00 N ATOM 2246 CD2 HIS B 671 4.997 13.509 5.510 1.00 0.00 C ATOM 2247 CE1 HIS B 671 7.132 13.360 5.035 1.00 0.00 C ATOM 2248 NE2 HIS B 671 6.250 13.998 5.783 1.00 0.00 N ATOM 0 H HIS B 671 2.143 10.463 3.062 1.00 0.00 H new ATOM 0 HA HIS B 671 2.436 12.768 4.664 1.00 0.00 H new ATOM 0 HB2 HIS B 671 3.985 10.770 4.480 1.00 0.00 H new ATOM 0 HB3 HIS B 671 4.503 11.375 2.919 1.00 0.00 H new ATOM 0 HD2 HIS B 671 4.071 13.831 5.963 1.00 0.00 H new ATOM 0 HE1 HIS B 671 8.199 13.529 5.032 1.00 0.00 H new ATOM 0 HE2 HIS B 671 6.465 14.735 6.455 1.00 0.00 H new ATOM 2255 N ALA B 672 2.487 13.254 1.469 1.00 0.00 N ATOM 2256 CA ALA B 672 2.554 14.266 0.423 1.00 0.00 C ATOM 2257 C ALA B 672 1.865 15.554 0.859 1.00 0.00 C ATOM 2258 O ALA B 672 2.335 16.652 0.562 1.00 0.00 O ATOM 2259 CB ALA B 672 1.929 13.739 -0.861 1.00 0.00 C ATOM 0 H ALA B 672 2.110 12.356 1.164 1.00 0.00 H new ATOM 0 HA ALA B 672 3.604 14.492 0.238 1.00 0.00 H new ATOM 0 HB1 ALA B 672 1.986 14.505 -1.634 1.00 0.00 H new ATOM 0 HB2 ALA B 672 2.468 12.851 -1.190 1.00 0.00 H new ATOM 0 HB3 ALA B 672 0.885 13.483 -0.679 1.00 0.00 H new ATOM 2265 N MET B 673 0.747 15.412 1.564 1.00 0.00 N ATOM 2266 CA MET B 673 -0.006 16.566 2.042 1.00 0.00 C ATOM 2267 C MET B 673 0.807 17.364 3.056 1.00 0.00 C ATOM 2268 O MET B 673 0.855 18.593 2.997 1.00 0.00 O ATOM 2269 CB MET B 673 -1.326 16.115 2.671 1.00 0.00 C ATOM 2270 CG MET B 673 -2.127 17.253 3.283 1.00 0.00 C ATOM 2271 SD MET B 673 -3.557 16.671 4.216 1.00 0.00 S ATOM 2272 CE MET B 673 -2.762 15.639 5.445 1.00 0.00 C ATOM 0 H MET B 673 0.343 14.510 1.817 1.00 0.00 H new ATOM 0 HA MET B 673 -0.219 17.209 1.188 1.00 0.00 H new ATOM 0 HB2 MET B 673 -1.932 15.623 1.910 1.00 0.00 H new ATOM 0 HB3 MET B 673 -1.117 15.373 3.442 1.00 0.00 H new ATOM 0 HG2 MET B 673 -1.481 17.835 3.941 1.00 0.00 H new ATOM 0 HG3 MET B 673 -2.462 17.923 2.491 1.00 0.00 H new ATOM 0 HE1 MET B 673 -3.381 15.598 6.341 1.00 0.00 H new ATOM 0 HE2 MET B 673 -2.632 14.633 5.046 1.00 0.00 H new ATOM 0 HE3 MET B 673 -1.788 16.058 5.697 1.00 0.00 H new