USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=20 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 637 GLN :FLIP amide:sc= -0.982 F(o=-1.6,f=-0.98) USER MOD Set 1.2: B 641 GLN :FLIP amide:sc=-0.000229 F(o=-1.7,f=-0.98) USER MOD Set 2.1: A 75 ASN : amide:sc= -3.36 K(o=-4.3,f=-5.2) USER MOD Set 2.2: B 648 THR OG1 : rot -110:sc= -0.993 USER MOD Set 3.1: A 66 ASN :FLIP amide:sc= -0.0364 F(o=0.44,f=0.99) USER MOD Set 3.2: A 67 THR OG1 : rot 77:sc= 1.03 USER MOD Set 4.1: A 25 MET CE :methyl -118:sc= -6.03! (180deg=-11.5!) USER MOD Set 4.2: B 663 MET CE :methyl -111:sc= -2.82 (180deg=-6.53!) USER MOD Single : A 21 LYS NZ :NH3+ -122:sc=-0.000788 (180deg=-1.04) USER MOD Single : A 27 HIS : no HD1:sc= -1.11 X(o=-1.1,f=-1.1) USER MOD Single : A 28 THR OG1 : rot 90:sc= -2.2! USER MOD Single : A 31 GLN : amide:sc= -0.373 X(o=-0.37,f=-0.41) USER MOD Single : A 52 GLN : amide:sc= -0.258 K(o=-0.26,f=-1.5!) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.118 F(o=-0.81,f=-0.12) USER MOD Single : A 64 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00679) USER MOD Single : A 73 GLN : amide:sc= -0.246 K(o=-0.25,f=-0.77) USER MOD Single : B 622 TYR OH : rot 180:sc= 0 USER MOD Single : B 625 THR OG1 : rot 180:sc= 0 USER MOD Single : B 627 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 628 SER OG : rot 76:sc= 0.301 USER MOD Single : B 642 SER OG : rot 180:sc= 0 USER MOD Single : B 645 GLN : amide:sc= 0.00452 X(o=0.0045,f=0) USER MOD Single : B 651 THR OG1 : rot 180:sc= 0.0182 USER MOD Single : B 652 TYR OH : rot 180:sc= 0 USER MOD Single : B 653 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : B 656 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.23) USER MOD Single : B 658 GLN : amide:sc= -2.29 K(o=-2.3,f=-5.6!) USER MOD Single : B 660 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : B 661 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.44) USER MOD Single : B 670 TYR OH : rot 180:sc= 0 USER MOD Single : B 671 HIS : no HD1:sc=-0.00537 X(o=-0.0054,f=-0.0054) USER MOD Single : B 673 MET CE :methyl 161:sc= -0.224 (180deg=-0.831) USER MOD ----------------------------------------------------------------- ATOM 222 N ALA A 17 -6.714 -16.855 6.565 1.00 0.00 N ATOM 223 CA ALA A 17 -5.982 -15.800 7.255 1.00 0.00 C ATOM 224 C ALA A 17 -5.688 -14.634 6.320 1.00 0.00 C ATOM 225 O ALA A 17 -5.517 -13.498 6.763 1.00 0.00 O ATOM 226 CB ALA A 17 -4.689 -16.351 7.840 1.00 0.00 C ATOM 0 HA ALA A 17 -6.607 -15.430 8.068 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.152 -15.553 8.352 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.920 -17.146 8.549 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.068 -16.749 7.038 1.00 0.00 H new ATOM 232 N PHE A 18 -5.628 -14.920 5.024 1.00 0.00 N ATOM 233 CA PHE A 18 -5.352 -13.894 4.025 1.00 0.00 C ATOM 234 C PHE A 18 -6.466 -12.851 3.995 1.00 0.00 C ATOM 235 O PHE A 18 -6.210 -11.657 3.847 1.00 0.00 O ATOM 236 CB PHE A 18 -5.192 -14.527 2.642 1.00 0.00 C ATOM 237 CG PHE A 18 -4.395 -13.687 1.686 1.00 0.00 C ATOM 238 CD1 PHE A 18 -5.013 -12.714 0.917 1.00 0.00 C ATOM 239 CD2 PHE A 18 -3.028 -13.870 1.557 1.00 0.00 C ATOM 240 CE1 PHE A 18 -4.281 -11.941 0.036 1.00 0.00 C ATOM 241 CE2 PHE A 18 -2.291 -13.099 0.678 1.00 0.00 C ATOM 242 CZ PHE A 18 -2.918 -12.132 -0.082 1.00 0.00 C ATOM 0 H PHE A 18 -5.767 -15.855 4.640 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.421 -13.398 4.298 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.709 -15.498 2.750 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.180 -14.708 2.218 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.078 -12.558 1.007 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.532 -14.624 2.150 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.774 -11.188 -0.560 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.226 -13.253 0.586 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.344 -11.526 -0.767 1.00 0.00 H new ATOM 251 N ALA A 19 -7.705 -13.314 4.134 1.00 0.00 N ATOM 252 CA ALA A 19 -8.858 -12.423 4.124 1.00 0.00 C ATOM 253 C ALA A 19 -8.868 -11.523 5.355 1.00 0.00 C ATOM 254 O ALA A 19 -9.230 -10.350 5.274 1.00 0.00 O ATOM 255 CB ALA A 19 -10.146 -13.229 4.047 1.00 0.00 C ATOM 0 H ALA A 19 -7.935 -14.300 4.255 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.786 -11.786 3.242 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.000 -12.551 4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.148 -13.825 3.134 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.214 -13.890 4.911 1.00 0.00 H new ATOM 261 N ALA A 20 -8.468 -12.080 6.493 1.00 0.00 N ATOM 262 CA ALA A 20 -8.429 -11.327 7.740 1.00 0.00 C ATOM 263 C ALA A 20 -7.530 -10.102 7.613 1.00 0.00 C ATOM 264 O ALA A 20 -7.794 -9.060 8.215 1.00 0.00 O ATOM 265 CB ALA A 20 -7.956 -12.217 8.880 1.00 0.00 C ATOM 0 H ALA A 20 -8.166 -13.051 6.577 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.439 -10.982 7.960 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.932 -11.641 9.805 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.641 -13.058 8.994 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.956 -12.591 8.659 1.00 0.00 H new ATOM 271 N LYS A 21 -6.466 -10.233 6.828 1.00 0.00 N ATOM 272 CA LYS A 21 -5.528 -9.136 6.622 1.00 0.00 C ATOM 273 C LYS A 21 -6.105 -8.099 5.664 1.00 0.00 C ATOM 274 O LYS A 21 -5.936 -6.896 5.863 1.00 0.00 O ATOM 275 CB LYS A 21 -4.201 -9.670 6.074 1.00 0.00 C ATOM 276 CG LYS A 21 -3.501 -10.636 7.012 1.00 0.00 C ATOM 277 CD LYS A 21 -2.259 -10.013 7.628 1.00 0.00 C ATOM 278 CE LYS A 21 -2.614 -8.869 8.564 1.00 0.00 C ATOM 279 NZ LYS A 21 -1.943 -9.005 9.887 1.00 0.00 N ATOM 0 H LYS A 21 -6.232 -11.088 6.324 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.351 -8.656 7.585 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.385 -10.169 5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.537 -8.830 5.870 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.188 -10.939 7.803 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.224 -11.538 6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.703 -10.774 8.176 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.604 -9.647 6.837 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.326 -7.923 8.106 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.694 -8.838 8.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.661 -9.031 10.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.389 -9.885 9.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.310 -8.194 10.040 1.00 0.00 H new ATOM 289 N ALA A 22 -6.787 -8.572 4.627 1.00 0.00 N ATOM 290 CA ALA A 22 -7.392 -7.684 3.642 1.00 0.00 C ATOM 291 C ALA A 22 -8.299 -6.658 4.311 1.00 0.00 C ATOM 292 O ALA A 22 -8.243 -5.469 4.000 1.00 0.00 O ATOM 293 CB ALA A 22 -8.173 -8.491 2.614 1.00 0.00 C ATOM 0 H ALA A 22 -6.935 -9.565 4.447 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.592 -7.146 3.134 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.620 -7.816 1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.500 -9.181 2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.960 -9.055 3.115 1.00 0.00 H new ATOM 299 N GLY A 23 -9.136 -7.125 5.233 1.00 0.00 N ATOM 300 CA GLY A 23 -10.043 -6.234 5.931 1.00 0.00 C ATOM 301 C GLY A 23 -9.315 -5.245 6.820 1.00 0.00 C ATOM 302 O GLY A 23 -9.818 -4.153 7.089 1.00 0.00 O ATOM 0 H GLY A 23 -9.202 -8.105 5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.644 -5.689 5.203 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.732 -6.823 6.536 1.00 0.00 H new ATOM 306 N LEU A 24 -8.129 -5.627 7.280 1.00 0.00 N ATOM 307 CA LEU A 24 -7.331 -4.766 8.146 1.00 0.00 C ATOM 308 C LEU A 24 -6.702 -3.627 7.351 1.00 0.00 C ATOM 309 O LEU A 24 -6.498 -2.532 7.874 1.00 0.00 O ATOM 310 CB LEU A 24 -6.239 -5.582 8.842 1.00 0.00 C ATOM 311 CG LEU A 24 -6.484 -5.914 10.314 1.00 0.00 C ATOM 312 CD1 LEU A 24 -6.381 -4.659 11.168 1.00 0.00 C ATOM 313 CD2 LEU A 24 -7.844 -6.572 10.493 1.00 0.00 C ATOM 0 H LEU A 24 -7.699 -6.527 7.068 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.991 -4.337 8.899 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.109 -6.517 8.296 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.300 -5.034 8.765 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.717 -6.616 10.641 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.558 -4.914 12.213 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.385 -4.229 11.064 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.126 -3.934 10.840 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.001 -6.801 11.547 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.625 -5.894 10.149 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.882 -7.493 9.912 1.00 0.00 H new ATOM 324 N MET A 25 -6.399 -3.892 6.085 1.00 0.00 N ATOM 325 CA MET A 25 -5.797 -2.887 5.216 1.00 0.00 C ATOM 326 C MET A 25 -6.747 -1.712 5.004 1.00 0.00 C ATOM 327 O MET A 25 -6.415 -0.570 5.318 1.00 0.00 O ATOM 328 CB MET A 25 -5.423 -3.505 3.868 1.00 0.00 C ATOM 329 CG MET A 25 -4.646 -2.564 2.963 1.00 0.00 C ATOM 330 SD MET A 25 -2.964 -3.133 2.648 1.00 0.00 S ATOM 331 CE MET A 25 -2.304 -3.176 4.312 1.00 0.00 C ATOM 0 H MET A 25 -6.560 -4.794 5.637 1.00 0.00 H new ATOM 0 HA MET A 25 -4.893 -2.518 5.701 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.829 -4.402 4.041 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.333 -3.819 3.357 1.00 0.00 H new ATOM 0 HG2 MET A 25 -5.174 -2.460 2.015 1.00 0.00 H new ATOM 0 HG3 MET A 25 -4.611 -1.574 3.419 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.471 -2.477 4.391 1.00 0.00 H new ATOM 0 HE2 MET A 25 -3.083 -2.894 5.020 1.00 0.00 H new ATOM 0 HE3 MET A 25 -1.955 -4.183 4.539 1.00 0.00 H new ATOM 339 N ARG A 26 -7.929 -2.001 4.470 1.00 0.00 N ATOM 340 CA ARG A 26 -8.926 -0.968 4.215 1.00 0.00 C ATOM 341 C ARG A 26 -9.187 -0.143 5.471 1.00 0.00 C ATOM 342 O ARG A 26 -9.535 1.035 5.391 1.00 0.00 O ATOM 343 CB ARG A 26 -10.231 -1.599 3.726 1.00 0.00 C ATOM 344 CG ARG A 26 -10.080 -2.390 2.436 1.00 0.00 C ATOM 345 CD ARG A 26 -11.431 -2.792 1.868 1.00 0.00 C ATOM 346 NE ARG A 26 -11.302 -3.492 0.592 1.00 0.00 N ATOM 347 CZ ARG A 26 -12.329 -4.030 -0.058 1.00 0.00 C ATOM 348 NH1 ARG A 26 -13.553 -3.947 0.445 1.00 0.00 N ATOM 349 NH2 ARG A 26 -12.131 -4.650 -1.213 1.00 0.00 N ATOM 0 H ARG A 26 -8.220 -2.942 4.205 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.538 -0.306 3.441 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.619 -2.258 4.503 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.971 -0.813 3.576 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.539 -1.792 1.703 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.483 -3.282 2.623 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.948 -3.433 2.582 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.047 -1.903 1.733 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.373 -3.572 0.178 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.708 -3.469 1.333 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.339 -4.361 -0.056 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.191 -4.714 -1.603 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.919 -5.063 -1.712 1.00 0.00 H new ATOM 360 N HIS A 27 -9.016 -0.770 6.631 1.00 0.00 N ATOM 361 CA HIS A 27 -9.232 -0.092 7.905 1.00 0.00 C ATOM 362 C HIS A 27 -8.187 0.996 8.127 1.00 0.00 C ATOM 363 O HIS A 27 -8.497 2.078 8.626 1.00 0.00 O ATOM 364 CB HIS A 27 -9.190 -1.099 9.055 1.00 0.00 C ATOM 365 CG HIS A 27 -9.413 -0.480 10.401 1.00 0.00 C ATOM 366 ND1 HIS A 27 -10.069 0.719 10.579 1.00 0.00 N ATOM 367 CD2 HIS A 27 -9.061 -0.903 11.638 1.00 0.00 C ATOM 368 CE1 HIS A 27 -10.112 1.008 11.867 1.00 0.00 C ATOM 369 NE2 HIS A 27 -9.507 0.040 12.531 1.00 0.00 N ATOM 0 H HIS A 27 -8.729 -1.745 6.715 1.00 0.00 H new ATOM 0 HA HIS A 27 -10.216 0.376 7.877 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.948 -1.864 8.886 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.223 -1.602 9.051 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.529 -1.812 11.878 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.565 1.886 12.303 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.390 -0.001 13.543 1.00 0.00 H new ATOM 376 N THR A 28 -6.945 0.702 7.753 1.00 0.00 N ATOM 377 CA THR A 28 -5.853 1.654 7.914 1.00 0.00 C ATOM 378 C THR A 28 -6.063 2.883 7.037 1.00 0.00 C ATOM 379 O THR A 28 -5.941 4.017 7.502 1.00 0.00 O ATOM 380 CB THR A 28 -4.496 1.015 7.566 1.00 0.00 C ATOM 381 OG1 THR A 28 -4.513 -0.380 7.889 1.00 0.00 O ATOM 382 CG2 THR A 28 -3.366 1.701 8.318 1.00 0.00 C ATOM 0 H THR A 28 -6.671 -0.188 7.337 1.00 0.00 H new ATOM 0 HA THR A 28 -5.847 1.955 8.962 1.00 0.00 H new ATOM 0 HB THR A 28 -4.326 1.137 6.496 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.827 -0.891 7.114 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.417 1.232 8.056 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.336 2.756 8.047 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.533 1.607 9.391 1.00 0.00 H new ATOM 390 N ILE A 29 -6.379 2.652 5.766 1.00 0.00 N ATOM 391 CA ILE A 29 -6.607 3.742 4.826 1.00 0.00 C ATOM 392 C ILE A 29 -7.865 4.525 5.187 1.00 0.00 C ATOM 393 O ILE A 29 -7.861 5.755 5.202 1.00 0.00 O ATOM 394 CB ILE A 29 -6.736 3.221 3.382 1.00 0.00 C ATOM 395 CG1 ILE A 29 -5.391 2.686 2.888 1.00 0.00 C ATOM 396 CG2 ILE A 29 -7.243 4.324 2.465 1.00 0.00 C ATOM 397 CD1 ILE A 29 -5.083 1.287 3.374 1.00 0.00 C ATOM 0 H ILE A 29 -6.483 1.720 5.365 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.741 4.401 4.890 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.457 2.404 3.369 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.384 2.693 1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.599 3.359 3.216 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.329 3.941 1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.220 4.663 2.809 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.543 5.160 2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.115 0.972 2.985 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.057 1.278 4.464 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.855 0.602 3.024 1.00 0.00 H new ATOM 408 N GLY A 30 -8.942 3.802 5.479 1.00 0.00 N ATOM 409 CA GLY A 30 -10.193 4.445 5.838 1.00 0.00 C ATOM 410 C GLY A 30 -10.054 5.351 7.045 1.00 0.00 C ATOM 411 O GLY A 30 -10.549 6.478 7.044 1.00 0.00 O ATOM 0 H GLY A 30 -8.971 2.782 5.473 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.555 5.027 4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.944 3.682 6.045 1.00 0.00 H new ATOM 415 N GLN A 31 -9.380 4.857 8.079 1.00 0.00 N ATOM 416 CA GLN A 31 -9.179 5.629 9.300 1.00 0.00 C ATOM 417 C GLN A 31 -8.158 6.741 9.079 1.00 0.00 C ATOM 418 O GLN A 31 -8.401 7.897 9.421 1.00 0.00 O ATOM 419 CB GLN A 31 -8.718 4.715 10.436 1.00 0.00 C ATOM 420 CG GLN A 31 -9.859 4.167 11.277 1.00 0.00 C ATOM 421 CD GLN A 31 -10.730 5.261 11.864 1.00 0.00 C ATOM 422 OE1 GLN A 31 -10.229 6.242 12.412 1.00 0.00 O ATOM 423 NE2 GLN A 31 -12.043 5.097 11.750 1.00 0.00 N ATOM 0 H GLN A 31 -8.964 3.926 8.096 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.131 6.084 9.573 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.155 3.882 10.015 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.035 5.267 11.081 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.474 3.509 10.663 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.451 3.560 12.085 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.415 4.267 11.288 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.679 5.801 12.125 1.00 0.00 H new ATOM 430 N ALA A 32 -7.014 6.382 8.504 1.00 0.00 N ATOM 431 CA ALA A 32 -5.959 7.349 8.236 1.00 0.00 C ATOM 432 C ALA A 32 -6.453 8.464 7.321 1.00 0.00 C ATOM 433 O ALA A 32 -5.952 9.587 7.370 1.00 0.00 O ATOM 434 CB ALA A 32 -4.751 6.656 7.621 1.00 0.00 C ATOM 0 H ALA A 32 -6.796 5.428 8.215 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.664 7.798 9.184 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.970 7.391 7.426 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.374 5.901 8.311 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.042 6.179 6.685 1.00 0.00 H new ATOM 440 N GLU A 33 -7.439 8.146 6.488 1.00 0.00 N ATOM 441 CA GLU A 33 -8.000 9.122 5.562 1.00 0.00 C ATOM 442 C GLU A 33 -8.904 10.110 6.293 1.00 0.00 C ATOM 443 O GLU A 33 -8.791 11.321 6.111 1.00 0.00 O ATOM 444 CB GLU A 33 -8.787 8.415 4.456 1.00 0.00 C ATOM 445 CG GLU A 33 -9.336 9.359 3.400 1.00 0.00 C ATOM 446 CD GLU A 33 -10.850 9.334 3.324 1.00 0.00 C ATOM 447 OE1 GLU A 33 -11.496 9.271 4.391 1.00 0.00 O ATOM 448 OE2 GLU A 33 -11.389 9.374 2.198 1.00 0.00 O ATOM 0 H GLU A 33 -7.865 7.221 6.436 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.175 9.675 5.114 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.141 7.681 3.974 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.614 7.865 4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.004 10.374 3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.923 9.090 2.428 1.00 0.00 H new ATOM 658 N PHE A 51 -3.389 20.721 -0.423 1.00 0.00 N ATOM 659 CA PHE A 51 -4.044 19.680 0.362 1.00 0.00 C ATOM 660 C PHE A 51 -4.853 18.750 -0.537 1.00 0.00 C ATOM 661 O PHE A 51 -4.950 17.550 -0.280 1.00 0.00 O ATOM 662 CB PHE A 51 -4.953 20.305 1.421 1.00 0.00 C ATOM 663 CG PHE A 51 -5.804 19.301 2.148 1.00 0.00 C ATOM 664 CD1 PHE A 51 -5.310 18.627 3.253 1.00 0.00 C ATOM 665 CD2 PHE A 51 -7.096 19.036 1.728 1.00 0.00 C ATOM 666 CE1 PHE A 51 -6.089 17.703 3.923 1.00 0.00 C ATOM 667 CE2 PHE A 51 -7.882 18.113 2.394 1.00 0.00 C ATOM 668 CZ PHE A 51 -7.378 17.448 3.494 1.00 0.00 C ATOM 0 HA PHE A 51 -3.271 19.094 0.859 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.339 20.841 2.145 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.600 21.041 0.944 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -4.305 18.826 3.595 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.495 19.556 0.870 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.691 17.181 4.781 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.888 17.913 2.054 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.990 16.729 4.019 1.00 0.00 H new ATOM 677 N GLN A 52 -5.436 19.315 -1.591 1.00 0.00 N ATOM 678 CA GLN A 52 -6.239 18.537 -2.527 1.00 0.00 C ATOM 679 C GLN A 52 -5.365 17.578 -3.328 1.00 0.00 C ATOM 680 O GLN A 52 -5.618 16.374 -3.364 1.00 0.00 O ATOM 681 CB GLN A 52 -6.998 19.466 -3.474 1.00 0.00 C ATOM 682 CG GLN A 52 -7.654 18.744 -4.640 1.00 0.00 C ATOM 683 CD GLN A 52 -9.115 19.114 -4.808 1.00 0.00 C ATOM 684 OE1 GLN A 52 -9.558 20.165 -4.345 1.00 0.00 O ATOM 685 NE2 GLN A 52 -9.871 18.250 -5.474 1.00 0.00 N ATOM 0 H GLN A 52 -5.367 20.307 -1.817 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.956 17.951 -1.952 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.764 19.999 -2.910 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.309 20.216 -3.863 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.116 18.980 -5.558 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.571 17.668 -4.489 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.461 17.391 -5.841 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.862 18.445 -5.619 1.00 0.00 H new ATOM 692 N ALA A 53 -4.336 18.119 -3.970 1.00 0.00 N ATOM 693 CA ALA A 53 -3.424 17.312 -4.770 1.00 0.00 C ATOM 694 C ALA A 53 -2.897 16.124 -3.971 1.00 0.00 C ATOM 695 O ALA A 53 -2.885 14.994 -4.457 1.00 0.00 O ATOM 696 CB ALA A 53 -2.269 18.164 -5.275 1.00 0.00 C ATOM 0 H ALA A 53 -4.113 19.114 -3.952 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.977 16.925 -5.626 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.596 17.548 -5.871 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.657 18.976 -5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.725 18.579 -4.427 1.00 0.00 H new ATOM 702 N ALA A 54 -2.463 16.389 -2.743 1.00 0.00 N ATOM 703 CA ALA A 54 -1.937 15.341 -1.877 1.00 0.00 C ATOM 704 C ALA A 54 -3.014 14.314 -1.542 1.00 0.00 C ATOM 705 O ALA A 54 -2.739 13.116 -1.463 1.00 0.00 O ATOM 706 CB ALA A 54 -1.368 15.946 -0.602 1.00 0.00 C ATOM 0 H ALA A 54 -2.465 17.320 -2.326 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.137 14.829 -2.412 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.979 15.152 0.035 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.563 16.636 -0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.154 16.484 -0.072 1.00 0.00 H new ATOM 712 N HIS A 55 -4.239 14.790 -1.344 1.00 0.00 N ATOM 713 CA HIS A 55 -5.357 13.912 -1.017 1.00 0.00 C ATOM 714 C HIS A 55 -5.721 13.030 -2.208 1.00 0.00 C ATOM 715 O HIS A 55 -6.019 11.847 -2.047 1.00 0.00 O ATOM 716 CB HIS A 55 -6.572 14.737 -0.590 1.00 0.00 C ATOM 717 CG HIS A 55 -7.768 13.904 -0.242 1.00 0.00 C ATOM 718 ND1 HIS A 55 -8.579 13.152 -1.022 1.00 0.00 N flip ATOM 719 CD2 HIS A 55 -8.253 13.783 1.043 1.00 0.00 C flip ATOM 720 CE1 HIS A 55 -9.528 12.594 -0.202 1.00 0.00 C flip ATOM 721 NE2 HIS A 55 -9.310 12.989 1.040 1.00 0.00 N flip ATOM 0 H HIS A 55 -4.483 15.779 -1.404 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.053 13.270 -0.190 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.302 15.348 0.271 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.838 15.421 -1.396 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -7.835 14.262 1.916 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.324 11.938 -0.521 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.862 12.726 1.856 1.00 0.00 H new ATOM 728 N ALA A 56 -5.693 13.613 -3.402 1.00 0.00 N ATOM 729 CA ALA A 56 -6.018 12.879 -4.618 1.00 0.00 C ATOM 730 C ALA A 56 -4.909 11.898 -4.981 1.00 0.00 C ATOM 731 O ALA A 56 -5.165 10.845 -5.565 1.00 0.00 O ATOM 732 CB ALA A 56 -6.268 13.846 -5.767 1.00 0.00 C ATOM 0 H ALA A 56 -5.448 14.592 -3.553 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.927 12.306 -4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.510 13.284 -6.669 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.100 14.503 -5.515 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.373 14.444 -5.941 1.00 0.00 H new ATOM 738 N ARG A 57 -3.676 12.251 -4.632 1.00 0.00 N ATOM 739 CA ARG A 57 -2.527 11.403 -4.922 1.00 0.00 C ATOM 740 C ARG A 57 -2.596 10.102 -4.127 1.00 0.00 C ATOM 741 O ARG A 57 -2.185 9.045 -4.606 1.00 0.00 O ATOM 742 CB ARG A 57 -1.226 12.141 -4.602 1.00 0.00 C ATOM 743 CG ARG A 57 -0.725 13.013 -5.741 1.00 0.00 C ATOM 744 CD ARG A 57 0.650 13.589 -5.438 1.00 0.00 C ATOM 745 NE ARG A 57 0.870 14.866 -6.112 1.00 0.00 N ATOM 746 CZ ARG A 57 1.877 15.683 -5.826 1.00 0.00 C ATOM 747 NH1 ARG A 57 2.752 15.359 -4.884 1.00 0.00 N ATOM 748 NH2 ARG A 57 2.010 16.828 -6.484 1.00 0.00 N ATOM 0 H ARG A 57 -3.448 13.119 -4.148 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.546 11.161 -5.985 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.378 12.763 -3.720 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.457 11.411 -4.349 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.681 12.426 -6.658 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.430 13.825 -5.916 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.757 13.724 -4.362 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.417 12.879 -5.748 1.00 0.00 H new ATOM 0 HE ARG A 57 0.215 15.145 -6.842 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.653 14.480 -4.376 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.524 15.989 -4.667 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.339 17.080 -7.209 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.783 17.456 -6.264 1.00 0.00 H new ATOM 759 N PHE A 58 -3.117 10.189 -2.907 1.00 0.00 N ATOM 760 CA PHE A 58 -3.239 9.020 -2.043 1.00 0.00 C ATOM 761 C PHE A 58 -4.292 8.055 -2.579 1.00 0.00 C ATOM 762 O PHE A 58 -4.017 6.875 -2.796 1.00 0.00 O ATOM 763 CB PHE A 58 -3.599 9.447 -0.620 1.00 0.00 C ATOM 764 CG PHE A 58 -3.952 8.297 0.280 1.00 0.00 C ATOM 765 CD1 PHE A 58 -2.959 7.547 0.889 1.00 0.00 C ATOM 766 CD2 PHE A 58 -5.276 7.967 0.518 1.00 0.00 C ATOM 767 CE1 PHE A 58 -3.279 6.488 1.718 1.00 0.00 C ATOM 768 CE2 PHE A 58 -5.603 6.910 1.346 1.00 0.00 C ATOM 769 CZ PHE A 58 -4.604 6.169 1.946 1.00 0.00 C ATOM 0 H PHE A 58 -3.461 11.056 -2.495 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.277 8.508 -2.028 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.758 9.991 -0.189 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.440 10.139 -0.659 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.922 7.793 0.714 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.062 8.542 0.051 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.495 5.911 2.186 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.639 6.664 1.524 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.858 5.342 2.592 1.00 0.00 H new ATOM 778 N VAL A 59 -5.501 8.565 -2.790 1.00 0.00 N ATOM 779 CA VAL A 59 -6.597 7.750 -3.300 1.00 0.00 C ATOM 780 C VAL A 59 -6.219 7.085 -4.619 1.00 0.00 C ATOM 781 O VAL A 59 -6.667 5.978 -4.918 1.00 0.00 O ATOM 782 CB VAL A 59 -7.872 8.590 -3.509 1.00 0.00 C ATOM 783 CG1 VAL A 59 -7.556 9.854 -4.294 1.00 0.00 C ATOM 784 CG2 VAL A 59 -8.941 7.769 -4.213 1.00 0.00 C ATOM 0 H VAL A 59 -5.746 9.540 -2.615 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.795 6.982 -2.552 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.257 8.884 -2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.468 10.434 -4.432 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.826 10.450 -3.746 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.147 9.585 -5.268 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.834 8.378 -4.352 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.569 7.443 -5.184 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.187 6.897 -3.608 1.00 0.00 H new ATOM 794 N ALA A 60 -5.390 7.766 -5.403 1.00 0.00 N ATOM 795 CA ALA A 60 -4.949 7.239 -6.689 1.00 0.00 C ATOM 796 C ALA A 60 -4.061 6.014 -6.505 1.00 0.00 C ATOM 797 O ALA A 60 -4.154 5.049 -7.263 1.00 0.00 O ATOM 798 CB ALA A 60 -4.212 8.315 -7.474 1.00 0.00 C ATOM 0 H ALA A 60 -5.010 8.684 -5.170 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.831 6.934 -7.251 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.888 7.909 -8.432 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.878 9.161 -7.645 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.342 8.647 -6.908 1.00 0.00 H new ATOM 804 N ALA A 61 -3.200 6.059 -5.493 1.00 0.00 N ATOM 805 CA ALA A 61 -2.296 4.951 -5.209 1.00 0.00 C ATOM 806 C ALA A 61 -3.016 3.833 -4.463 1.00 0.00 C ATOM 807 O ALA A 61 -2.805 2.652 -4.741 1.00 0.00 O ATOM 808 CB ALA A 61 -1.099 5.439 -4.406 1.00 0.00 C ATOM 0 H ALA A 61 -3.110 6.851 -4.856 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.943 4.550 -6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.432 4.601 -4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.563 6.198 -4.976 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.443 5.868 -3.465 1.00 0.00 H new ATOM 814 N ALA A 62 -3.866 4.212 -3.514 1.00 0.00 N ATOM 815 CA ALA A 62 -4.618 3.241 -2.728 1.00 0.00 C ATOM 816 C ALA A 62 -5.340 2.247 -3.631 1.00 0.00 C ATOM 817 O ALA A 62 -5.531 1.088 -3.265 1.00 0.00 O ATOM 818 CB ALA A 62 -5.611 3.952 -1.821 1.00 0.00 C ATOM 0 H ALA A 62 -4.051 5.185 -3.271 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.913 2.685 -2.110 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.165 3.215 -1.240 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.074 4.618 -1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.306 4.533 -2.427 1.00 0.00 H new ATOM 824 N ALA A 63 -5.740 2.709 -4.811 1.00 0.00 N ATOM 825 CA ALA A 63 -6.440 1.859 -5.767 1.00 0.00 C ATOM 826 C ALA A 63 -5.599 0.643 -6.140 1.00 0.00 C ATOM 827 O ALA A 63 -6.129 -0.438 -6.396 1.00 0.00 O ATOM 828 CB ALA A 63 -6.805 2.653 -7.011 1.00 0.00 C ATOM 0 H ALA A 63 -5.591 3.667 -5.128 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.356 1.503 -5.296 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.327 2.006 -7.716 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.453 3.485 -6.735 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.898 3.038 -7.476 1.00 0.00 H new ATOM 834 N LYS A 64 -4.283 0.828 -6.172 1.00 0.00 N ATOM 835 CA LYS A 64 -3.366 -0.254 -6.514 1.00 0.00 C ATOM 836 C LYS A 64 -3.402 -1.351 -5.457 1.00 0.00 C ATOM 837 O LYS A 64 -3.602 -2.525 -5.771 1.00 0.00 O ATOM 838 CB LYS A 64 -1.941 0.285 -6.658 1.00 0.00 C ATOM 839 CG LYS A 64 -1.266 -0.122 -7.956 1.00 0.00 C ATOM 840 CD LYS A 64 -1.361 -1.621 -8.188 1.00 0.00 C ATOM 841 CE LYS A 64 -0.226 -2.121 -9.069 1.00 0.00 C ATOM 842 NZ LYS A 64 -0.297 -1.551 -10.442 1.00 0.00 N ATOM 0 H LYS A 64 -3.828 1.717 -5.965 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.684 -0.681 -7.465 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.965 1.373 -6.596 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.341 -0.069 -5.820 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.729 0.406 -8.789 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.218 0.178 -7.932 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.336 -2.141 -7.230 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.317 -1.858 -8.655 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.729 -1.857 -8.615 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.262 -3.209 -9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.463 -1.955 -11.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.218 -1.781 -10.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.186 -0.518 -10.395 1.00 0.00 H new ATOM 852 N VAL A 65 -3.207 -0.964 -4.201 1.00 0.00 N ATOM 853 CA VAL A 65 -3.219 -1.915 -3.095 1.00 0.00 C ATOM 854 C VAL A 65 -4.534 -2.685 -3.048 1.00 0.00 C ATOM 855 O VAL A 65 -4.547 -3.900 -2.854 1.00 0.00 O ATOM 856 CB VAL A 65 -3.000 -1.209 -1.744 1.00 0.00 C ATOM 857 CG1 VAL A 65 -2.843 -2.231 -0.628 1.00 0.00 C ATOM 858 CG2 VAL A 65 -1.790 -0.291 -1.812 1.00 0.00 C ATOM 0 H VAL A 65 -3.039 0.003 -3.923 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.399 -2.612 -3.268 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.877 -0.599 -1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.689 -1.714 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.743 -2.843 -0.566 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.984 -2.869 -0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.651 0.199 -0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.902 -0.876 -2.053 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.948 0.463 -2.583 1.00 0.00 H new ATOM 868 N ASN A 66 -5.639 -1.970 -3.228 1.00 0.00 N ATOM 869 CA ASN A 66 -6.960 -2.586 -3.205 1.00 0.00 C ATOM 870 C ASN A 66 -7.100 -3.614 -4.324 1.00 0.00 C ATOM 871 O ASN A 66 -7.590 -4.722 -4.107 1.00 0.00 O ATOM 872 CB ASN A 66 -8.047 -1.517 -3.340 1.00 0.00 C ATOM 873 CG ASN A 66 -9.321 -2.062 -3.957 1.00 0.00 C ATOM 874 OD1 ASN A 66 -9.393 -2.037 -5.282 1.00 0.00 O flip ATOM 875 ND2 ASN A 66 -10.229 -2.500 -3.249 1.00 0.00 N flip ATOM 0 H ASN A 66 -5.646 -0.963 -3.391 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.079 -3.097 -2.249 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.271 -1.104 -2.356 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.672 -0.697 -3.952 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.130 -2.499 -2.234 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.080 -2.863 -3.678 1.00 0.00 H new ATOM 881 N THR A 67 -6.668 -3.237 -5.523 1.00 0.00 N ATOM 882 CA THR A 67 -6.745 -4.125 -6.677 1.00 0.00 C ATOM 883 C THR A 67 -5.895 -5.373 -6.469 1.00 0.00 C ATOM 884 O THR A 67 -6.378 -6.497 -6.617 1.00 0.00 O ATOM 885 CB THR A 67 -6.285 -3.414 -7.965 1.00 0.00 C ATOM 886 OG1 THR A 67 -7.133 -2.293 -8.234 1.00 0.00 O ATOM 887 CG2 THR A 67 -6.307 -4.370 -9.147 1.00 0.00 C ATOM 0 H THR A 67 -6.261 -2.323 -5.721 1.00 0.00 H new ATOM 0 HA THR A 67 -7.791 -4.414 -6.783 1.00 0.00 H new ATOM 0 HB THR A 67 -5.262 -3.067 -7.818 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.899 -1.555 -7.634 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.979 -3.846 -10.045 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.638 -5.207 -8.950 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.321 -4.743 -9.295 1.00 0.00 H new ATOM 895 N LEU A 68 -4.629 -5.171 -6.122 1.00 0.00 N ATOM 896 CA LEU A 68 -3.712 -6.281 -5.891 1.00 0.00 C ATOM 897 C LEU A 68 -4.174 -7.134 -4.714 1.00 0.00 C ATOM 898 O LEU A 68 -3.992 -8.352 -4.708 1.00 0.00 O ATOM 899 CB LEU A 68 -2.299 -5.755 -5.631 1.00 0.00 C ATOM 900 CG LEU A 68 -1.692 -4.886 -6.734 1.00 0.00 C ATOM 901 CD1 LEU A 68 -0.342 -4.337 -6.298 1.00 0.00 C ATOM 902 CD2 LEU A 68 -1.556 -5.680 -8.024 1.00 0.00 C ATOM 0 H LEU A 68 -4.214 -4.248 -5.994 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.703 -6.904 -6.785 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.312 -5.177 -4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.641 -6.608 -5.464 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.361 -4.045 -6.918 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.075 -3.721 -7.095 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.468 -3.732 -5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.336 -5.164 -6.086 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.123 -5.046 -8.797 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.909 -6.540 -7.855 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.539 -6.023 -8.345 1.00 0.00 H new ATOM 913 N LEU A 69 -4.774 -6.487 -3.722 1.00 0.00 N ATOM 914 CA LEU A 69 -5.266 -7.186 -2.540 1.00 0.00 C ATOM 915 C LEU A 69 -6.351 -8.190 -2.913 1.00 0.00 C ATOM 916 O LEU A 69 -6.396 -9.299 -2.380 1.00 0.00 O ATOM 917 CB LEU A 69 -5.810 -6.185 -1.519 1.00 0.00 C ATOM 918 CG LEU A 69 -6.436 -6.783 -0.260 1.00 0.00 C ATOM 919 CD1 LEU A 69 -5.362 -7.365 0.645 1.00 0.00 C ATOM 920 CD2 LEU A 69 -7.249 -5.733 0.482 1.00 0.00 C ATOM 0 H LEU A 69 -4.932 -5.479 -3.712 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.431 -7.729 -2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.996 -5.526 -1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.558 -5.564 -2.012 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.107 -7.589 -0.559 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.827 -7.786 1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.823 -8.148 0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.666 -6.578 0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.687 -6.177 1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.600 -4.906 0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.043 -5.363 -0.166 1.00 0.00 H new ATOM 931 N ASP A 70 -7.223 -7.796 -3.835 1.00 0.00 N ATOM 932 CA ASP A 70 -8.307 -8.663 -4.283 1.00 0.00 C ATOM 933 C ASP A 70 -7.805 -9.674 -5.309 1.00 0.00 C ATOM 934 O ASP A 70 -8.177 -10.847 -5.274 1.00 0.00 O ATOM 935 CB ASP A 70 -9.441 -7.829 -4.881 1.00 0.00 C ATOM 936 CG ASP A 70 -10.807 -8.298 -4.421 1.00 0.00 C ATOM 937 OD1 ASP A 70 -10.989 -9.521 -4.252 1.00 0.00 O ATOM 938 OD2 ASP A 70 -11.697 -7.440 -4.233 1.00 0.00 O ATOM 0 H ASP A 70 -7.200 -6.882 -4.287 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.685 -9.208 -3.418 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.306 -6.784 -4.602 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.390 -7.878 -5.969 1.00 0.00 H new ATOM 942 N VAL A 71 -6.959 -9.210 -6.224 1.00 0.00 N ATOM 943 CA VAL A 71 -6.406 -10.073 -7.260 1.00 0.00 C ATOM 944 C VAL A 71 -5.736 -11.301 -6.654 1.00 0.00 C ATOM 945 O VAL A 71 -5.922 -12.420 -7.130 1.00 0.00 O ATOM 946 CB VAL A 71 -5.383 -9.320 -8.132 1.00 0.00 C ATOM 947 CG1 VAL A 71 -4.667 -10.282 -9.067 1.00 0.00 C ATOM 948 CG2 VAL A 71 -6.066 -8.209 -8.915 1.00 0.00 C ATOM 0 H VAL A 71 -6.642 -8.241 -6.268 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.241 -10.390 -7.885 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.638 -8.866 -7.478 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.949 -9.732 -9.675 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.143 -11.037 -8.481 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.395 -10.768 -9.717 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.329 -7.688 -9.525 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.833 -8.637 -9.560 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.526 -7.505 -8.222 1.00 0.00 H new ATOM 958 N ALA A 72 -4.955 -11.082 -5.601 1.00 0.00 N ATOM 959 CA ALA A 72 -4.259 -12.172 -4.927 1.00 0.00 C ATOM 960 C ALA A 72 -5.224 -13.293 -4.555 1.00 0.00 C ATOM 961 O ALA A 72 -4.991 -14.457 -4.881 1.00 0.00 O ATOM 962 CB ALA A 72 -3.545 -11.654 -3.688 1.00 0.00 C ATOM 0 H ALA A 72 -4.788 -10.161 -5.196 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.519 -12.580 -5.616 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.029 -12.478 -3.194 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.820 -10.893 -3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.273 -11.219 -3.003 1.00 0.00 H new ATOM 968 N GLN A 73 -6.305 -12.935 -3.870 1.00 0.00 N ATOM 969 CA GLN A 73 -7.303 -13.911 -3.453 1.00 0.00 C ATOM 970 C GLN A 73 -7.903 -14.627 -4.659 1.00 0.00 C ATOM 971 O GLN A 73 -8.110 -15.840 -4.634 1.00 0.00 O ATOM 972 CB GLN A 73 -8.410 -13.230 -2.648 1.00 0.00 C ATOM 973 CG GLN A 73 -7.917 -12.578 -1.366 1.00 0.00 C ATOM 974 CD GLN A 73 -9.047 -12.023 -0.521 1.00 0.00 C ATOM 975 OE1 GLN A 73 -10.204 -12.012 -0.942 1.00 0.00 O ATOM 976 NE2 GLN A 73 -8.716 -11.559 0.678 1.00 0.00 N ATOM 0 H GLN A 73 -6.512 -11.976 -3.592 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.808 -14.650 -2.823 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.887 -12.473 -3.270 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.174 -13.967 -2.400 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.358 -13.310 -0.783 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.226 -11.773 -1.615 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.744 -11.588 0.986 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.434 -11.173 1.292 1.00 0.00 H new ATOM 983 N ALA A 74 -8.178 -13.867 -5.715 1.00 0.00 N ATOM 984 CA ALA A 74 -8.752 -14.429 -6.931 1.00 0.00 C ATOM 985 C ALA A 74 -7.754 -15.336 -7.641 1.00 0.00 C ATOM 986 O ALA A 74 -8.140 -16.259 -8.356 1.00 0.00 O ATOM 987 CB ALA A 74 -9.210 -13.316 -7.861 1.00 0.00 C ATOM 0 H ALA A 74 -8.012 -12.861 -5.752 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.615 -15.032 -6.650 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.637 -13.750 -8.765 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.964 -12.710 -7.359 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.358 -12.690 -8.126 1.00 0.00 H new ATOM 993 N ASN A 75 -6.469 -15.066 -7.439 1.00 0.00 N ATOM 994 CA ASN A 75 -5.413 -15.858 -8.062 1.00 0.00 C ATOM 995 C ASN A 75 -5.156 -17.138 -7.272 1.00 0.00 C ATOM 996 O ASN A 75 -5.097 -18.230 -7.840 1.00 0.00 O ATOM 997 CB ASN A 75 -4.124 -15.040 -8.162 1.00 0.00 C ATOM 998 CG ASN A 75 -4.055 -14.225 -9.440 1.00 0.00 C ATOM 999 OD1 ASN A 75 -3.154 -14.410 -10.258 1.00 0.00 O ATOM 1000 ND2 ASN A 75 -5.010 -13.320 -9.616 1.00 0.00 N ATOM 0 H ASN A 75 -6.133 -14.305 -6.849 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.741 -16.130 -9.065 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -4.053 -14.372 -7.304 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.266 -15.711 -8.115 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.017 -12.743 -10.457 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.737 -13.202 -8.910 1.00 0.00 H new ATOM 1006 N LEU A 76 -5.007 -16.997 -5.960 1.00 0.00 N ATOM 1007 CA LEU A 76 -4.757 -18.142 -5.091 1.00 0.00 C ATOM 1008 C LEU A 76 -6.003 -19.012 -4.965 1.00 0.00 C ATOM 1009 O LEU A 76 -5.910 -20.231 -4.826 1.00 0.00 O ATOM 1010 CB LEU A 76 -4.309 -17.669 -3.707 1.00 0.00 C ATOM 1011 CG LEU A 76 -2.851 -17.224 -3.588 1.00 0.00 C ATOM 1012 CD1 LEU A 76 -2.739 -15.714 -3.734 1.00 0.00 C ATOM 1013 CD2 LEU A 76 -2.261 -17.678 -2.261 1.00 0.00 C ATOM 0 H LEU A 76 -5.055 -16.101 -5.474 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.963 -18.740 -5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.947 -16.838 -3.405 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.480 -18.477 -2.996 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.283 -17.689 -4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.694 -15.417 -3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.121 -15.413 -4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.321 -15.229 -2.951 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.223 -17.352 -2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.832 -17.242 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.305 -18.765 -2.196 1.00 0.00 H new ATOM 1024 N GLY A 77 -7.170 -18.376 -5.016 1.00 0.00 N ATOM 1025 CA GLY A 77 -8.419 -19.108 -4.908 1.00 0.00 C ATOM 1026 C GLY A 77 -8.748 -19.485 -3.478 1.00 0.00 C ATOM 1027 O GLY A 77 -9.799 -19.112 -2.958 1.00 0.00 O ATOM 0 H GLY A 77 -7.273 -17.368 -5.130 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.228 -18.502 -5.316 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.360 -20.012 -5.514 1.00 0.00 H new ATOM 1031 N GLU A 78 -7.848 -20.227 -2.840 1.00 0.00 N ATOM 1032 CA GLU A 78 -8.050 -20.656 -1.461 1.00 0.00 C ATOM 1033 C GLU A 78 -8.393 -19.468 -0.566 1.00 0.00 C ATOM 1034 O GLU A 78 -9.177 -19.591 0.374 1.00 0.00 O ATOM 1035 CB GLU A 78 -6.800 -21.362 -0.933 1.00 0.00 C ATOM 1036 CG GLU A 78 -7.093 -22.681 -0.237 1.00 0.00 C ATOM 1037 CD GLU A 78 -5.995 -23.706 -0.443 1.00 0.00 C ATOM 1038 OE1 GLU A 78 -4.865 -23.304 -0.791 1.00 0.00 O ATOM 1039 OE2 GLU A 78 -6.266 -24.910 -0.257 1.00 0.00 O ATOM 0 H GLU A 78 -6.972 -20.543 -3.256 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.886 -21.355 -1.445 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.117 -21.543 -1.763 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.286 -20.700 -0.236 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.223 -22.503 0.830 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.035 -23.083 -0.610 1.00 0.00 H new ATOM 1044 N ALA A 79 -7.797 -18.318 -0.866 1.00 0.00 N ATOM 1045 CA ALA A 79 -8.039 -17.108 -0.092 1.00 0.00 C ATOM 1046 C ALA A 79 -9.513 -16.720 -0.125 1.00 0.00 C ATOM 1047 O ALA A 79 -10.145 -16.553 0.918 1.00 0.00 O ATOM 1048 CB ALA A 79 -7.178 -15.967 -0.613 1.00 0.00 C ATOM 0 H ALA A 79 -7.143 -18.200 -1.640 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.767 -17.309 0.944 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.369 -15.069 -0.025 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.126 -16.238 -0.530 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.422 -15.775 -1.658 1.00 0.00 H new ATOM 1533 N ALA B 620 2.929 11.608 10.075 1.00 0.00 N ATOM 1534 CA ALA B 620 3.904 10.688 9.503 1.00 0.00 C ATOM 1535 C ALA B 620 3.864 9.337 10.210 1.00 0.00 C ATOM 1536 O ALA B 620 4.124 8.300 9.602 1.00 0.00 O ATOM 1537 CB ALA B 620 5.302 11.285 9.580 1.00 0.00 C ATOM 0 HA ALA B 620 3.646 10.529 8.456 1.00 0.00 H new ATOM 0 HB1 ALA B 620 6.020 10.587 9.149 1.00 0.00 H new ATOM 0 HB2 ALA B 620 5.329 12.222 9.024 1.00 0.00 H new ATOM 0 HB3 ALA B 620 5.560 11.474 10.622 1.00 0.00 H new ATOM 1543 N GLY B 621 3.539 9.358 11.499 1.00 0.00 N ATOM 1544 CA GLY B 621 3.472 8.129 12.268 1.00 0.00 C ATOM 1545 C GLY B 621 2.467 7.145 11.702 1.00 0.00 C ATOM 1546 O GLY B 621 2.723 5.942 11.657 1.00 0.00 O ATOM 0 H GLY B 621 3.321 10.205 12.025 1.00 0.00 H new ATOM 0 HA2 GLY B 621 4.458 7.664 12.291 1.00 0.00 H new ATOM 0 HA3 GLY B 621 3.206 8.363 13.299 1.00 0.00 H new ATOM 1550 N TYR B 622 1.319 7.657 11.272 1.00 0.00 N ATOM 1551 CA TYR B 622 0.270 6.814 10.710 1.00 0.00 C ATOM 1552 C TYR B 622 0.756 6.107 9.449 1.00 0.00 C ATOM 1553 O TYR B 622 0.426 4.946 9.209 1.00 0.00 O ATOM 1554 CB TYR B 622 -0.970 7.652 10.393 1.00 0.00 C ATOM 1555 CG TYR B 622 -1.890 7.845 11.578 1.00 0.00 C ATOM 1556 CD1 TYR B 622 -2.842 6.889 11.906 1.00 0.00 C ATOM 1557 CD2 TYR B 622 -1.805 8.984 12.369 1.00 0.00 C ATOM 1558 CE1 TYR B 622 -3.685 7.062 12.987 1.00 0.00 C ATOM 1559 CE2 TYR B 622 -2.644 9.165 13.452 1.00 0.00 C ATOM 1560 CZ TYR B 622 -3.581 8.201 13.757 1.00 0.00 C ATOM 1561 OH TYR B 622 -4.418 8.378 14.835 1.00 0.00 O ATOM 0 H TYR B 622 1.091 8.651 11.302 1.00 0.00 H new ATOM 0 HA TYR B 622 0.010 6.058 11.451 1.00 0.00 H new ATOM 0 HB2 TYR B 622 -0.654 8.629 10.026 1.00 0.00 H new ATOM 0 HB3 TYR B 622 -1.525 7.173 9.587 1.00 0.00 H new ATOM 0 HD1 TYR B 622 -2.925 5.995 11.306 1.00 0.00 H new ATOM 0 HD2 TYR B 622 -1.071 9.740 12.134 1.00 0.00 H new ATOM 0 HE1 TYR B 622 -4.421 6.309 13.227 1.00 0.00 H new ATOM 0 HE2 TYR B 622 -2.566 10.057 14.056 1.00 0.00 H new ATOM 0 HH TYR B 622 -4.213 9.231 15.271 1.00 0.00 H new ATOM 1570 N ALA B 623 1.544 6.816 8.646 1.00 0.00 N ATOM 1571 CA ALA B 623 2.078 6.256 7.411 1.00 0.00 C ATOM 1572 C ALA B 623 2.762 4.918 7.666 1.00 0.00 C ATOM 1573 O ALA B 623 2.479 3.926 6.995 1.00 0.00 O ATOM 1574 CB ALA B 623 3.049 7.234 6.766 1.00 0.00 C ATOM 0 H ALA B 623 1.826 7.779 8.829 1.00 0.00 H new ATOM 0 HA ALA B 623 1.246 6.084 6.729 1.00 0.00 H new ATOM 0 HB1 ALA B 623 3.441 6.803 5.844 1.00 0.00 H new ATOM 0 HB2 ALA B 623 2.530 8.166 6.540 1.00 0.00 H new ATOM 0 HB3 ALA B 623 3.873 7.434 7.451 1.00 0.00 H new ATOM 1580 N GLY B 624 3.666 4.896 8.641 1.00 0.00 N ATOM 1581 CA GLY B 624 4.378 3.673 8.966 1.00 0.00 C ATOM 1582 C GLY B 624 3.442 2.506 9.210 1.00 0.00 C ATOM 1583 O GLY B 624 3.763 1.363 8.880 1.00 0.00 O ATOM 0 H GLY B 624 3.918 5.703 9.212 1.00 0.00 H new ATOM 0 HA2 GLY B 624 5.059 3.425 8.152 1.00 0.00 H new ATOM 0 HA3 GLY B 624 4.989 3.837 9.854 1.00 0.00 H new ATOM 1587 N THR B 625 2.282 2.791 9.793 1.00 0.00 N ATOM 1588 CA THR B 625 1.299 1.756 10.085 1.00 0.00 C ATOM 1589 C THR B 625 0.922 0.984 8.825 1.00 0.00 C ATOM 1590 O THR B 625 0.847 -0.245 8.837 1.00 0.00 O ATOM 1591 CB THR B 625 0.022 2.352 10.707 1.00 0.00 C ATOM 1592 OG1 THR B 625 0.362 3.172 11.831 1.00 0.00 O ATOM 1593 CG2 THR B 625 -0.932 1.252 11.146 1.00 0.00 C ATOM 0 H THR B 625 2.000 3.731 10.072 1.00 0.00 H new ATOM 0 HA THR B 625 1.761 1.076 10.801 1.00 0.00 H new ATOM 0 HB THR B 625 -0.474 2.960 9.950 1.00 0.00 H new ATOM 0 HG1 THR B 625 -0.455 3.549 12.220 1.00 0.00 H new ATOM 0 HG21 THR B 625 -1.826 1.698 11.582 1.00 0.00 H new ATOM 0 HG22 THR B 625 -1.212 0.647 10.283 1.00 0.00 H new ATOM 0 HG23 THR B 625 -0.443 0.621 11.888 1.00 0.00 H new ATOM 1601 N LEU B 626 0.690 1.711 7.738 1.00 0.00 N ATOM 1602 CA LEU B 626 0.323 1.095 6.469 1.00 0.00 C ATOM 1603 C LEU B 626 1.492 0.304 5.889 1.00 0.00 C ATOM 1604 O LEU B 626 1.329 -0.838 5.461 1.00 0.00 O ATOM 1605 CB LEU B 626 -0.129 2.163 5.472 1.00 0.00 C ATOM 1606 CG LEU B 626 -1.534 2.726 5.683 1.00 0.00 C ATOM 1607 CD1 LEU B 626 -1.523 3.800 6.760 1.00 0.00 C ATOM 1608 CD2 LEU B 626 -2.089 3.282 4.379 1.00 0.00 C ATOM 0 H LEU B 626 0.750 2.729 7.710 1.00 0.00 H new ATOM 0 HA LEU B 626 -0.502 0.407 6.653 1.00 0.00 H new ATOM 0 HB2 LEU B 626 0.581 2.989 5.508 1.00 0.00 H new ATOM 0 HB3 LEU B 626 -0.075 1.741 4.469 1.00 0.00 H new ATOM 0 HG LEU B 626 -2.183 1.915 6.014 1.00 0.00 H new ATOM 0 HD11 LEU B 626 -2.532 4.189 6.896 1.00 0.00 H new ATOM 0 HD12 LEU B 626 -1.170 3.371 7.698 1.00 0.00 H new ATOM 0 HD13 LEU B 626 -0.859 4.610 6.459 1.00 0.00 H new ATOM 0 HD21 LEU B 626 -3.090 3.678 4.549 1.00 0.00 H new ATOM 0 HD22 LEU B 626 -1.440 4.079 4.018 1.00 0.00 H new ATOM 0 HD23 LEU B 626 -2.135 2.487 3.635 1.00 0.00 H new ATOM 1619 N GLN B 627 2.670 0.920 5.881 1.00 0.00 N ATOM 1620 CA GLN B 627 3.866 0.274 5.355 1.00 0.00 C ATOM 1621 C GLN B 627 4.087 -1.083 6.018 1.00 0.00 C ATOM 1622 O GLN B 627 4.525 -2.036 5.372 1.00 0.00 O ATOM 1623 CB GLN B 627 5.091 1.165 5.572 1.00 0.00 C ATOM 1624 CG GLN B 627 6.264 0.815 4.670 1.00 0.00 C ATOM 1625 CD GLN B 627 7.580 0.759 5.421 1.00 0.00 C ATOM 1626 OE1 GLN B 627 7.804 -0.132 6.240 1.00 0.00 O ATOM 1627 NE2 GLN B 627 8.459 1.716 5.146 1.00 0.00 N ATOM 0 H GLN B 627 2.821 1.865 6.233 1.00 0.00 H new ATOM 0 HA GLN B 627 3.724 0.118 4.286 1.00 0.00 H new ATOM 0 HB2 GLN B 627 4.809 2.204 5.401 1.00 0.00 H new ATOM 0 HB3 GLN B 627 5.407 1.087 6.612 1.00 0.00 H new ATOM 0 HG2 GLN B 627 6.079 -0.149 4.197 1.00 0.00 H new ATOM 0 HG3 GLN B 627 6.337 1.553 3.871 1.00 0.00 H new ATOM 0 HE21 GLN B 627 8.232 2.435 4.460 1.00 0.00 H new ATOM 0 HE22 GLN B 627 9.361 1.731 5.621 1.00 0.00 H new ATOM 1634 N SER B 628 3.780 -1.163 7.308 1.00 0.00 N ATOM 1635 CA SER B 628 3.949 -2.402 8.058 1.00 0.00 C ATOM 1636 C SER B 628 2.837 -3.394 7.727 1.00 0.00 C ATOM 1637 O SER B 628 3.101 -4.541 7.365 1.00 0.00 O ATOM 1638 CB SER B 628 3.961 -2.116 9.561 1.00 0.00 C ATOM 1639 OG SER B 628 5.013 -1.231 9.903 1.00 0.00 O ATOM 0 H SER B 628 3.413 -0.385 7.856 1.00 0.00 H new ATOM 0 HA SER B 628 4.904 -2.843 7.771 1.00 0.00 H new ATOM 0 HB2 SER B 628 3.006 -1.684 9.860 1.00 0.00 H new ATOM 0 HB3 SER B 628 4.074 -3.050 10.111 1.00 0.00 H new ATOM 0 HG SER B 628 4.774 -0.319 9.635 1.00 0.00 H new ATOM 1644 N LEU B 629 1.594 -2.942 7.853 1.00 0.00 N ATOM 1645 CA LEU B 629 0.441 -3.789 7.566 1.00 0.00 C ATOM 1646 C LEU B 629 0.536 -4.384 6.165 1.00 0.00 C ATOM 1647 O LEU B 629 0.358 -5.587 5.978 1.00 0.00 O ATOM 1648 CB LEU B 629 -0.853 -2.984 7.704 1.00 0.00 C ATOM 1649 CG LEU B 629 -2.054 -3.737 8.279 1.00 0.00 C ATOM 1650 CD1 LEU B 629 -3.112 -2.760 8.769 1.00 0.00 C ATOM 1651 CD2 LEU B 629 -2.638 -4.681 7.239 1.00 0.00 C ATOM 0 H LEU B 629 1.359 -1.995 8.151 1.00 0.00 H new ATOM 0 HA LEU B 629 0.433 -4.606 8.287 1.00 0.00 H new ATOM 0 HB2 LEU B 629 -0.654 -2.120 8.338 1.00 0.00 H new ATOM 0 HB3 LEU B 629 -1.126 -2.602 6.720 1.00 0.00 H new ATOM 0 HG LEU B 629 -1.715 -4.329 9.129 1.00 0.00 H new ATOM 0 HD11 LEU B 629 -3.959 -3.314 9.175 1.00 0.00 H new ATOM 0 HD12 LEU B 629 -2.688 -2.124 9.546 1.00 0.00 H new ATOM 0 HD13 LEU B 629 -3.448 -2.141 7.937 1.00 0.00 H new ATOM 0 HD21 LEU B 629 -3.491 -5.209 7.665 1.00 0.00 H new ATOM 0 HD22 LEU B 629 -2.962 -4.109 6.370 1.00 0.00 H new ATOM 0 HD23 LEU B 629 -1.880 -5.403 6.936 1.00 0.00 H new ATOM 1662 N GLY B 630 0.821 -3.533 5.184 1.00 0.00 N ATOM 1663 CA GLY B 630 0.938 -3.994 3.813 1.00 0.00 C ATOM 1664 C GLY B 630 1.879 -5.174 3.676 1.00 0.00 C ATOM 1665 O GLY B 630 1.564 -6.155 3.004 1.00 0.00 O ATOM 0 H GLY B 630 0.973 -2.533 5.314 1.00 0.00 H new ATOM 0 HA2 GLY B 630 -0.048 -4.275 3.442 1.00 0.00 H new ATOM 0 HA3 GLY B 630 1.293 -3.176 3.187 1.00 0.00 H new ATOM 1669 N ALA B 631 3.041 -5.078 4.314 1.00 0.00 N ATOM 1670 CA ALA B 631 4.033 -6.146 4.261 1.00 0.00 C ATOM 1671 C ALA B 631 3.422 -7.482 4.670 1.00 0.00 C ATOM 1672 O ALA B 631 3.807 -8.532 4.157 1.00 0.00 O ATOM 1673 CB ALA B 631 5.219 -5.810 5.152 1.00 0.00 C ATOM 0 H ALA B 631 3.319 -4.272 4.874 1.00 0.00 H new ATOM 0 HA ALA B 631 4.381 -6.235 3.232 1.00 0.00 H new ATOM 0 HB1 ALA B 631 5.951 -6.616 5.102 1.00 0.00 H new ATOM 0 HB2 ALA B 631 5.678 -4.882 4.812 1.00 0.00 H new ATOM 0 HB3 ALA B 631 4.879 -5.691 6.181 1.00 0.00 H new ATOM 1679 N GLU B 632 2.471 -7.434 5.597 1.00 0.00 N ATOM 1680 CA GLU B 632 1.809 -8.643 6.074 1.00 0.00 C ATOM 1681 C GLU B 632 1.196 -9.422 4.914 1.00 0.00 C ATOM 1682 O GLU B 632 1.287 -10.649 4.861 1.00 0.00 O ATOM 1683 CB GLU B 632 0.725 -8.289 7.095 1.00 0.00 C ATOM 1684 CG GLU B 632 1.228 -7.428 8.241 1.00 0.00 C ATOM 1685 CD GLU B 632 1.292 -8.184 9.554 1.00 0.00 C ATOM 1686 OE1 GLU B 632 1.839 -9.306 9.567 1.00 0.00 O ATOM 1687 OE2 GLU B 632 0.794 -7.654 10.569 1.00 0.00 O ATOM 0 H GLU B 632 2.142 -6.572 6.032 1.00 0.00 H new ATOM 0 HA GLU B 632 2.559 -9.271 6.554 1.00 0.00 H new ATOM 0 HB2 GLU B 632 -0.085 -7.766 6.586 1.00 0.00 H new ATOM 0 HB3 GLU B 632 0.305 -9.209 7.500 1.00 0.00 H new ATOM 0 HG2 GLU B 632 2.220 -7.047 7.996 1.00 0.00 H new ATOM 0 HG3 GLU B 632 0.574 -6.564 8.355 1.00 0.00 H new ATOM 1692 N ILE B 633 0.572 -8.700 3.989 1.00 0.00 N ATOM 1693 CA ILE B 633 -0.056 -9.324 2.831 1.00 0.00 C ATOM 1694 C ILE B 633 0.991 -9.809 1.833 1.00 0.00 C ATOM 1695 O ILE B 633 0.804 -10.829 1.169 1.00 0.00 O ATOM 1696 CB ILE B 633 -1.014 -8.351 2.119 1.00 0.00 C ATOM 1697 CG1 ILE B 633 -2.126 -7.909 3.073 1.00 0.00 C ATOM 1698 CG2 ILE B 633 -1.604 -9.002 0.877 1.00 0.00 C ATOM 1699 CD1 ILE B 633 -2.126 -6.422 3.353 1.00 0.00 C ATOM 0 H ILE B 633 0.488 -7.684 4.019 1.00 0.00 H new ATOM 0 HA ILE B 633 -0.625 -10.177 3.201 1.00 0.00 H new ATOM 0 HB ILE B 633 -0.451 -7.470 1.811 1.00 0.00 H new ATOM 0 HG12 ILE B 633 -3.090 -8.191 2.650 1.00 0.00 H new ATOM 0 HG13 ILE B 633 -2.021 -8.448 4.015 1.00 0.00 H new ATOM 0 HG21 ILE B 633 -2.279 -8.302 0.385 1.00 0.00 H new ATOM 0 HG22 ILE B 633 -0.801 -9.274 0.192 1.00 0.00 H new ATOM 0 HG23 ILE B 633 -2.156 -9.898 1.163 1.00 0.00 H new ATOM 0 HD11 ILE B 633 -2.940 -6.180 4.036 1.00 0.00 H new ATOM 0 HD12 ILE B 633 -1.176 -6.137 3.805 1.00 0.00 H new ATOM 0 HD13 ILE B 633 -2.262 -5.876 2.419 1.00 0.00 H new ATOM 1710 N ALA B 634 2.093 -9.073 1.734 1.00 0.00 N ATOM 1711 CA ALA B 634 3.171 -9.430 0.821 1.00 0.00 C ATOM 1712 C ALA B 634 3.897 -10.685 1.292 1.00 0.00 C ATOM 1713 O ALA B 634 4.275 -11.536 0.487 1.00 0.00 O ATOM 1714 CB ALA B 634 4.149 -8.273 0.681 1.00 0.00 C ATOM 0 H ALA B 634 2.262 -8.225 2.275 1.00 0.00 H new ATOM 0 HA ALA B 634 2.732 -9.641 -0.154 1.00 0.00 H new ATOM 0 HB1 ALA B 634 4.949 -8.554 -0.004 1.00 0.00 H new ATOM 0 HB2 ALA B 634 3.626 -7.400 0.290 1.00 0.00 H new ATOM 0 HB3 ALA B 634 4.573 -8.035 1.656 1.00 0.00 H new ATOM 1720 N VAL B 635 4.089 -10.795 2.604 1.00 0.00 N ATOM 1721 CA VAL B 635 4.769 -11.946 3.183 1.00 0.00 C ATOM 1722 C VAL B 635 3.844 -13.157 3.248 1.00 0.00 C ATOM 1723 O VAL B 635 4.292 -14.298 3.149 1.00 0.00 O ATOM 1724 CB VAL B 635 5.291 -11.636 4.599 1.00 0.00 C ATOM 1725 CG1 VAL B 635 4.132 -11.401 5.555 1.00 0.00 C ATOM 1726 CG2 VAL B 635 6.182 -12.764 5.096 1.00 0.00 C ATOM 0 H VAL B 635 3.783 -10.100 3.285 1.00 0.00 H new ATOM 0 HA VAL B 635 5.614 -12.173 2.533 1.00 0.00 H new ATOM 0 HB VAL B 635 5.887 -10.724 4.557 1.00 0.00 H new ATOM 0 HG11 VAL B 635 4.520 -11.183 6.550 1.00 0.00 H new ATOM 0 HG12 VAL B 635 3.537 -10.557 5.205 1.00 0.00 H new ATOM 0 HG13 VAL B 635 3.507 -12.293 5.596 1.00 0.00 H new ATOM 0 HG21 VAL B 635 6.542 -12.529 6.098 1.00 0.00 H new ATOM 0 HG22 VAL B 635 5.612 -13.693 5.124 1.00 0.00 H new ATOM 0 HG23 VAL B 635 7.031 -12.880 4.423 1.00 0.00 H new ATOM 1736 N GLU B 636 2.551 -12.897 3.413 1.00 0.00 N ATOM 1737 CA GLU B 636 1.562 -13.967 3.492 1.00 0.00 C ATOM 1738 C GLU B 636 1.530 -14.773 2.196 1.00 0.00 C ATOM 1739 O GLU B 636 1.646 -15.998 2.214 1.00 0.00 O ATOM 1740 CB GLU B 636 0.175 -13.389 3.781 1.00 0.00 C ATOM 1741 CG GLU B 636 -0.262 -13.552 5.227 1.00 0.00 C ATOM 1742 CD GLU B 636 -1.070 -14.815 5.453 1.00 0.00 C ATOM 1743 OE1 GLU B 636 -0.455 -15.889 5.627 1.00 0.00 O ATOM 1744 OE2 GLU B 636 -2.315 -14.731 5.456 1.00 0.00 O ATOM 0 H GLU B 636 2.164 -11.957 3.494 1.00 0.00 H new ATOM 0 HA GLU B 636 1.847 -14.632 4.307 1.00 0.00 H new ATOM 0 HB2 GLU B 636 0.172 -12.329 3.526 1.00 0.00 H new ATOM 0 HB3 GLU B 636 -0.554 -13.875 3.133 1.00 0.00 H new ATOM 0 HG2 GLU B 636 0.619 -13.569 5.869 1.00 0.00 H new ATOM 0 HG3 GLU B 636 -0.856 -12.687 5.523 1.00 0.00 H new ATOM 1749 N GLN B 637 1.372 -14.075 1.077 1.00 0.00 N ATOM 1750 CA GLN B 637 1.322 -14.727 -0.227 1.00 0.00 C ATOM 1751 C GLN B 637 2.608 -15.499 -0.500 1.00 0.00 C ATOM 1752 O GLN B 637 2.603 -16.504 -1.210 1.00 0.00 O ATOM 1753 CB GLN B 637 1.093 -13.691 -1.330 1.00 0.00 C ATOM 1754 CG GLN B 637 2.347 -12.925 -1.716 1.00 0.00 C ATOM 1755 CD GLN B 637 3.097 -13.575 -2.862 1.00 0.00 C ATOM 1756 OE1 GLN B 637 4.390 -13.806 -2.669 1.00 0.00 O flip ATOM 1757 NE2 GLN B 637 2.520 -13.865 -3.911 1.00 0.00 N flip ATOM 0 H GLN B 637 1.276 -13.060 1.046 1.00 0.00 H new ATOM 0 HA GLN B 637 0.491 -15.432 -0.220 1.00 0.00 H new ATOM 0 HB2 GLN B 637 0.699 -14.194 -2.213 1.00 0.00 H new ATOM 0 HB3 GLN B 637 0.332 -12.983 -1.000 1.00 0.00 H new ATOM 0 HG2 GLN B 637 2.075 -11.907 -1.995 1.00 0.00 H new ATOM 0 HG3 GLN B 637 3.005 -12.853 -0.850 1.00 0.00 H new ATOM 0 HE21 GLN B 637 1.524 -13.670 -4.016 1.00 0.00 H new ATOM 0 HE22 GLN B 637 3.038 -14.301 -4.674 1.00 0.00 H new ATOM 1764 N ALA B 638 3.710 -15.023 0.071 1.00 0.00 N ATOM 1765 CA ALA B 638 5.004 -15.669 -0.109 1.00 0.00 C ATOM 1766 C ALA B 638 4.976 -17.105 0.403 1.00 0.00 C ATOM 1767 O ALA B 638 5.712 -17.963 -0.084 1.00 0.00 O ATOM 1768 CB ALA B 638 6.093 -14.876 0.597 1.00 0.00 C ATOM 0 H ALA B 638 3.732 -14.192 0.662 1.00 0.00 H new ATOM 0 HA ALA B 638 5.224 -15.695 -1.176 1.00 0.00 H new ATOM 0 HB1 ALA B 638 7.054 -15.370 0.454 1.00 0.00 H new ATOM 0 HB2 ALA B 638 6.137 -13.869 0.181 1.00 0.00 H new ATOM 0 HB3 ALA B 638 5.869 -14.819 1.662 1.00 0.00 H new ATOM 1774 N ALA B 639 4.122 -17.360 1.390 1.00 0.00 N ATOM 1775 CA ALA B 639 3.998 -18.693 1.967 1.00 0.00 C ATOM 1776 C ALA B 639 3.101 -19.580 1.111 1.00 0.00 C ATOM 1777 O ALA B 639 3.162 -20.807 1.196 1.00 0.00 O ATOM 1778 CB ALA B 639 3.457 -18.603 3.386 1.00 0.00 C ATOM 0 H ALA B 639 3.506 -16.661 1.806 1.00 0.00 H new ATOM 0 HA ALA B 639 4.989 -19.145 1.995 1.00 0.00 H new ATOM 0 HB1 ALA B 639 3.369 -19.605 3.806 1.00 0.00 H new ATOM 0 HB2 ALA B 639 4.138 -18.011 3.998 1.00 0.00 H new ATOM 0 HB3 ALA B 639 2.476 -18.128 3.372 1.00 0.00 H new ATOM 1784 N LEU B 640 2.270 -18.953 0.287 1.00 0.00 N ATOM 1785 CA LEU B 640 1.359 -19.687 -0.585 1.00 0.00 C ATOM 1786 C LEU B 640 1.838 -19.642 -2.033 1.00 0.00 C ATOM 1787 O LEU B 640 1.037 -19.713 -2.964 1.00 0.00 O ATOM 1788 CB LEU B 640 -0.052 -19.108 -0.485 1.00 0.00 C ATOM 1789 CG LEU B 640 -0.582 -18.872 0.930 1.00 0.00 C ATOM 1790 CD1 LEU B 640 -1.864 -18.054 0.890 1.00 0.00 C ATOM 1791 CD2 LEU B 640 -0.815 -20.198 1.639 1.00 0.00 C ATOM 0 H LEU B 640 2.208 -17.938 0.204 1.00 0.00 H new ATOM 0 HA LEU B 640 1.342 -20.727 -0.259 1.00 0.00 H new ATOM 0 HB2 LEU B 640 -0.073 -18.160 -1.022 1.00 0.00 H new ATOM 0 HB3 LEU B 640 -0.737 -19.781 -1.000 1.00 0.00 H new ATOM 0 HG LEU B 640 0.166 -18.310 1.489 1.00 0.00 H new ATOM 0 HD11 LEU B 640 -2.227 -17.896 1.906 1.00 0.00 H new ATOM 0 HD12 LEU B 640 -1.666 -17.090 0.421 1.00 0.00 H new ATOM 0 HD13 LEU B 640 -2.619 -18.589 0.314 1.00 0.00 H new ATOM 0 HD21 LEU B 640 -1.192 -20.012 2.645 1.00 0.00 H new ATOM 0 HD22 LEU B 640 -1.544 -20.786 1.081 1.00 0.00 H new ATOM 0 HD23 LEU B 640 0.124 -20.748 1.700 1.00 0.00 H new ATOM 1802 N GLN B 641 3.150 -19.527 -2.214 1.00 0.00 N ATOM 1803 CA GLN B 641 3.735 -19.475 -3.549 1.00 0.00 C ATOM 1804 C GLN B 641 3.348 -20.706 -4.361 1.00 0.00 C ATOM 1805 O GLN B 641 3.318 -20.665 -5.591 1.00 0.00 O ATOM 1806 CB GLN B 641 5.258 -19.369 -3.456 1.00 0.00 C ATOM 1807 CG GLN B 641 5.749 -17.987 -3.058 1.00 0.00 C ATOM 1808 CD GLN B 641 5.725 -17.003 -4.212 1.00 0.00 C ATOM 1809 OE1 GLN B 641 4.582 -16.357 -4.416 1.00 0.00 O flip ATOM 1810 NE2 GLN B 641 6.722 -16.825 -4.912 1.00 0.00 N flip ATOM 0 H GLN B 641 3.827 -19.468 -1.454 1.00 0.00 H new ATOM 0 HA GLN B 641 3.346 -18.592 -4.055 1.00 0.00 H new ATOM 0 HB2 GLN B 641 5.621 -20.097 -2.730 1.00 0.00 H new ATOM 0 HB3 GLN B 641 5.692 -19.636 -4.420 1.00 0.00 H new ATOM 0 HG2 GLN B 641 5.129 -17.605 -2.247 1.00 0.00 H new ATOM 0 HG3 GLN B 641 6.766 -18.064 -2.673 1.00 0.00 H new ATOM 0 HE21 GLN B 641 7.579 -17.343 -4.719 1.00 0.00 H new ATOM 0 HE22 GLN B 641 6.691 -16.160 -5.684 1.00 0.00 H new ATOM 1817 N SER B 642 3.051 -21.799 -3.665 1.00 0.00 N ATOM 1818 CA SER B 642 2.670 -23.043 -4.323 1.00 0.00 C ATOM 1819 C SER B 642 1.153 -23.145 -4.453 1.00 0.00 C ATOM 1820 O SER B 642 0.606 -24.234 -4.631 1.00 0.00 O ATOM 1821 CB SER B 642 3.208 -24.244 -3.542 1.00 0.00 C ATOM 1822 OG SER B 642 4.220 -24.915 -4.270 1.00 0.00 O ATOM 0 H SER B 642 3.067 -21.848 -2.646 1.00 0.00 H new ATOM 0 HA SER B 642 3.105 -23.045 -5.323 1.00 0.00 H new ATOM 0 HB2 SER B 642 3.606 -23.910 -2.584 1.00 0.00 H new ATOM 0 HB3 SER B 642 2.393 -24.935 -3.325 1.00 0.00 H new ATOM 0 HG SER B 642 4.548 -25.677 -3.748 1.00 0.00 H new ATOM 1827 N ALA B 643 0.480 -22.003 -4.365 1.00 0.00 N ATOM 1828 CA ALA B 643 -0.973 -21.962 -4.475 1.00 0.00 C ATOM 1829 C ALA B 643 -1.411 -21.096 -5.651 1.00 0.00 C ATOM 1830 O ALA B 643 -2.445 -21.349 -6.270 1.00 0.00 O ATOM 1831 CB ALA B 643 -1.586 -21.448 -3.181 1.00 0.00 C ATOM 0 H ALA B 643 0.918 -21.094 -4.218 1.00 0.00 H new ATOM 0 HA ALA B 643 -1.328 -22.977 -4.654 1.00 0.00 H new ATOM 0 HB1 ALA B 643 -2.671 -21.423 -3.278 1.00 0.00 H new ATOM 0 HB2 ALA B 643 -1.310 -22.109 -2.360 1.00 0.00 H new ATOM 0 HB3 ALA B 643 -1.216 -20.443 -2.977 1.00 0.00 H new ATOM 1837 N TRP B 644 -0.619 -20.073 -5.953 1.00 0.00 N ATOM 1838 CA TRP B 644 -0.926 -19.168 -7.054 1.00 0.00 C ATOM 1839 C TRP B 644 -1.189 -19.945 -8.340 1.00 0.00 C ATOM 1840 O TRP B 644 -0.556 -20.969 -8.597 1.00 0.00 O ATOM 1841 CB TRP B 644 0.224 -18.182 -7.266 1.00 0.00 C ATOM 1842 CG TRP B 644 -0.189 -16.935 -7.987 1.00 0.00 C ATOM 1843 CD1 TRP B 644 -0.290 -16.764 -9.339 1.00 0.00 C ATOM 1844 CD2 TRP B 644 -0.554 -15.684 -7.396 1.00 0.00 C ATOM 1845 NE1 TRP B 644 -0.696 -15.482 -9.623 1.00 0.00 N ATOM 1846 CE2 TRP B 644 -0.866 -14.799 -8.447 1.00 0.00 C ATOM 1847 CE3 TRP B 644 -0.650 -15.224 -6.079 1.00 0.00 C ATOM 1848 CZ2 TRP B 644 -1.265 -13.485 -8.220 1.00 0.00 C ATOM 1849 CZ3 TRP B 644 -1.046 -13.918 -5.856 1.00 0.00 C ATOM 1850 CH2 TRP B 644 -1.350 -13.062 -6.923 1.00 0.00 C ATOM 0 H TRP B 644 0.240 -19.850 -5.451 1.00 0.00 H new ATOM 0 HA TRP B 644 -1.828 -18.614 -6.795 1.00 0.00 H new ATOM 0 HB2 TRP B 644 0.644 -17.911 -6.297 1.00 0.00 H new ATOM 0 HB3 TRP B 644 1.016 -18.674 -7.830 1.00 0.00 H new ATOM 0 HD1 TRP B 644 -0.081 -17.525 -10.076 1.00 0.00 H new ATOM 0 HE1 TRP B 644 -0.846 -15.101 -10.557 1.00 0.00 H new ATOM 0 HE3 TRP B 644 -0.419 -15.877 -5.251 1.00 0.00 H new ATOM 0 HZ2 TRP B 644 -1.499 -12.823 -9.040 1.00 0.00 H new ATOM 0 HZ3 TRP B 644 -1.122 -13.552 -4.843 1.00 0.00 H new ATOM 0 HH2 TRP B 644 -1.658 -12.048 -6.716 1.00 0.00 H new ATOM 1860 N GLN B 645 -2.126 -19.452 -9.143 1.00 0.00 N ATOM 1861 CA GLN B 645 -2.472 -20.101 -10.401 1.00 0.00 C ATOM 1862 C GLN B 645 -1.684 -19.499 -11.560 1.00 0.00 C ATOM 1863 O GLN B 645 -0.992 -20.208 -12.288 1.00 0.00 O ATOM 1864 CB GLN B 645 -3.972 -19.976 -10.669 1.00 0.00 C ATOM 1865 CG GLN B 645 -4.838 -20.613 -9.595 1.00 0.00 C ATOM 1866 CD GLN B 645 -4.846 -22.126 -9.672 1.00 0.00 C ATOM 1867 OE1 GLN B 645 -5.601 -22.716 -10.445 1.00 0.00 O ATOM 1868 NE2 GLN B 645 -4.003 -22.765 -8.869 1.00 0.00 N ATOM 0 H GLN B 645 -2.659 -18.605 -8.945 1.00 0.00 H new ATOM 0 HA GLN B 645 -2.212 -21.156 -10.319 1.00 0.00 H new ATOM 0 HB2 GLN B 645 -4.231 -18.920 -10.753 1.00 0.00 H new ATOM 0 HB3 GLN B 645 -4.201 -20.438 -11.629 1.00 0.00 H new ATOM 0 HG2 GLN B 645 -4.478 -20.305 -8.613 1.00 0.00 H new ATOM 0 HG3 GLN B 645 -5.859 -20.243 -9.690 1.00 0.00 H new ATOM 0 HE21 GLN B 645 -3.395 -22.237 -8.244 1.00 0.00 H new ATOM 0 HE22 GLN B 645 -3.964 -23.784 -8.878 1.00 0.00 H new ATOM 1875 N GLY B 646 -1.795 -18.184 -11.725 1.00 0.00 N ATOM 1876 CA GLY B 646 -1.089 -17.509 -12.796 1.00 0.00 C ATOM 1877 C GLY B 646 -1.926 -17.380 -14.053 1.00 0.00 C ATOM 1878 O GLY B 646 -1.648 -16.542 -14.911 1.00 0.00 O ATOM 0 H GLY B 646 -2.362 -17.575 -11.135 1.00 0.00 H new ATOM 0 HA2 GLY B 646 -0.789 -16.516 -12.460 1.00 0.00 H new ATOM 0 HA3 GLY B 646 -0.175 -18.057 -13.026 1.00 0.00 H new ATOM 1882 N ASP B 647 -2.956 -18.212 -14.163 1.00 0.00 N ATOM 1883 CA ASP B 647 -3.838 -18.189 -15.325 1.00 0.00 C ATOM 1884 C ASP B 647 -5.082 -17.352 -15.046 1.00 0.00 C ATOM 1885 O ASP B 647 -6.138 -17.572 -15.639 1.00 0.00 O ATOM 1886 CB ASP B 647 -4.242 -19.611 -15.714 1.00 0.00 C ATOM 1887 CG ASP B 647 -3.097 -20.596 -15.581 1.00 0.00 C ATOM 1888 OD1 ASP B 647 -2.068 -20.405 -16.261 1.00 0.00 O ATOM 1889 OD2 ASP B 647 -3.230 -21.557 -14.794 1.00 0.00 O ATOM 0 H ASP B 647 -3.201 -18.911 -13.462 1.00 0.00 H new ATOM 0 HA ASP B 647 -3.295 -17.735 -16.154 1.00 0.00 H new ATOM 0 HB2 ASP B 647 -5.071 -19.935 -15.085 1.00 0.00 H new ATOM 0 HB3 ASP B 647 -4.603 -19.614 -16.743 1.00 0.00 H new ATOM 1893 N THR B 648 -4.950 -16.389 -14.137 1.00 0.00 N ATOM 1894 CA THR B 648 -6.063 -15.520 -13.777 1.00 0.00 C ATOM 1895 C THR B 648 -5.757 -14.065 -14.116 1.00 0.00 C ATOM 1896 O THR B 648 -6.659 -13.285 -14.415 1.00 0.00 O ATOM 1897 CB THR B 648 -6.396 -15.627 -12.277 1.00 0.00 C ATOM 1898 OG1 THR B 648 -5.190 -15.734 -11.513 1.00 0.00 O ATOM 1899 CG2 THR B 648 -7.284 -16.832 -12.005 1.00 0.00 C ATOM 0 H THR B 648 -4.083 -16.192 -13.637 1.00 0.00 H new ATOM 0 HA THR B 648 -6.924 -15.852 -14.357 1.00 0.00 H new ATOM 0 HB THR B 648 -6.933 -14.726 -11.981 1.00 0.00 H new ATOM 0 HG1 THR B 648 -5.118 -16.637 -11.140 1.00 0.00 H new ATOM 0 HG21 THR B 648 -7.506 -16.887 -10.939 1.00 0.00 H new ATOM 0 HG22 THR B 648 -8.214 -16.732 -12.565 1.00 0.00 H new ATOM 0 HG23 THR B 648 -6.769 -17.741 -12.316 1.00 0.00 H new ATOM 1907 N GLY B 649 -4.477 -13.708 -14.068 1.00 0.00 N ATOM 1908 CA GLY B 649 -4.075 -12.347 -14.373 1.00 0.00 C ATOM 1909 C GLY B 649 -2.653 -12.052 -13.939 1.00 0.00 C ATOM 1910 O GLY B 649 -1.702 -12.353 -14.661 1.00 0.00 O ATOM 0 H GLY B 649 -3.712 -14.337 -13.824 1.00 0.00 H new ATOM 0 HA2 GLY B 649 -4.167 -12.176 -15.446 1.00 0.00 H new ATOM 0 HA3 GLY B 649 -4.754 -11.652 -13.880 1.00 0.00 H new ATOM 1914 N ILE B 650 -2.507 -11.460 -12.758 1.00 0.00 N ATOM 1915 CA ILE B 650 -1.190 -11.124 -12.231 1.00 0.00 C ATOM 1916 C ILE B 650 -0.424 -12.378 -11.825 1.00 0.00 C ATOM 1917 O ILE B 650 -1.001 -13.329 -11.299 1.00 0.00 O ATOM 1918 CB ILE B 650 -1.295 -10.183 -11.016 1.00 0.00 C ATOM 1919 CG1 ILE B 650 -2.002 -8.884 -11.407 1.00 0.00 C ATOM 1920 CG2 ILE B 650 0.088 -9.891 -10.452 1.00 0.00 C ATOM 1921 CD1 ILE B 650 -2.143 -7.905 -10.263 1.00 0.00 C ATOM 0 H ILE B 650 -3.284 -11.203 -12.149 1.00 0.00 H new ATOM 0 HA ILE B 650 -0.650 -10.615 -13.029 1.00 0.00 H new ATOM 0 HB ILE B 650 -1.885 -10.676 -10.244 1.00 0.00 H new ATOM 0 HG12 ILE B 650 -1.448 -8.408 -12.216 1.00 0.00 H new ATOM 0 HG13 ILE B 650 -2.992 -9.122 -11.795 1.00 0.00 H new ATOM 0 HG21 ILE B 650 -0.002 -9.225 -9.594 1.00 0.00 H new ATOM 0 HG22 ILE B 650 0.558 -10.824 -10.140 1.00 0.00 H new ATOM 0 HG23 ILE B 650 0.700 -9.415 -11.218 1.00 0.00 H new ATOM 0 HD11 ILE B 650 -2.653 -7.008 -10.613 1.00 0.00 H new ATOM 0 HD12 ILE B 650 -2.723 -8.363 -9.462 1.00 0.00 H new ATOM 0 HD13 ILE B 650 -1.155 -7.638 -9.889 1.00 0.00 H new ATOM 1932 N THR B 651 0.883 -12.372 -12.072 1.00 0.00 N ATOM 1933 CA THR B 651 1.730 -13.508 -11.733 1.00 0.00 C ATOM 1934 C THR B 651 2.304 -13.365 -10.328 1.00 0.00 C ATOM 1935 O THR B 651 2.277 -12.283 -9.743 1.00 0.00 O ATOM 1936 CB THR B 651 2.888 -13.666 -12.735 1.00 0.00 C ATOM 1937 OG1 THR B 651 2.654 -12.847 -13.887 1.00 0.00 O ATOM 1938 CG2 THR B 651 3.042 -15.117 -13.162 1.00 0.00 C ATOM 0 H THR B 651 1.377 -11.592 -12.506 1.00 0.00 H new ATOM 0 HA THR B 651 1.099 -14.396 -11.777 1.00 0.00 H new ATOM 0 HB THR B 651 3.808 -13.349 -12.244 1.00 0.00 H new ATOM 0 HG1 THR B 651 3.396 -12.952 -14.519 1.00 0.00 H new ATOM 0 HG21 THR B 651 3.866 -15.202 -13.870 1.00 0.00 H new ATOM 0 HG22 THR B 651 3.249 -15.734 -12.287 1.00 0.00 H new ATOM 0 HG23 THR B 651 2.121 -15.457 -13.635 1.00 0.00 H new ATOM 1946 N TYR B 652 2.825 -14.464 -9.792 1.00 0.00 N ATOM 1947 CA TYR B 652 3.405 -14.460 -8.454 1.00 0.00 C ATOM 1948 C TYR B 652 4.562 -13.471 -8.365 1.00 0.00 C ATOM 1949 O TYR B 652 4.704 -12.755 -7.374 1.00 0.00 O ATOM 1950 CB TYR B 652 3.889 -15.863 -8.082 1.00 0.00 C ATOM 1951 CG TYR B 652 4.962 -16.398 -9.003 1.00 0.00 C ATOM 1952 CD1 TYR B 652 4.631 -17.057 -10.180 1.00 0.00 C ATOM 1953 CD2 TYR B 652 6.309 -16.242 -8.697 1.00 0.00 C ATOM 1954 CE1 TYR B 652 5.609 -17.547 -11.025 1.00 0.00 C ATOM 1955 CE2 TYR B 652 7.293 -16.727 -9.536 1.00 0.00 C ATOM 1956 CZ TYR B 652 6.938 -17.380 -10.697 1.00 0.00 C ATOM 1957 OH TYR B 652 7.916 -17.865 -11.536 1.00 0.00 O ATOM 0 H TYR B 652 2.857 -15.368 -10.263 1.00 0.00 H new ATOM 0 HA TYR B 652 2.632 -14.151 -7.751 1.00 0.00 H new ATOM 0 HB2 TYR B 652 4.273 -15.847 -7.062 1.00 0.00 H new ATOM 0 HB3 TYR B 652 3.039 -16.546 -8.093 1.00 0.00 H new ATOM 0 HD1 TYR B 652 3.591 -17.189 -10.440 1.00 0.00 H new ATOM 0 HD2 TYR B 652 6.591 -15.733 -7.787 1.00 0.00 H new ATOM 0 HE1 TYR B 652 5.334 -18.057 -11.936 1.00 0.00 H new ATOM 0 HE2 TYR B 652 8.335 -16.595 -9.284 1.00 0.00 H new ATOM 0 HH TYR B 652 8.799 -17.664 -11.160 1.00 0.00 H new ATOM 1966 N GLN B 653 5.385 -13.437 -9.408 1.00 0.00 N ATOM 1967 CA GLN B 653 6.531 -12.535 -9.448 1.00 0.00 C ATOM 1968 C GLN B 653 6.084 -11.099 -9.700 1.00 0.00 C ATOM 1969 O GLN B 653 6.579 -10.165 -9.070 1.00 0.00 O ATOM 1970 CB GLN B 653 7.514 -12.974 -10.533 1.00 0.00 C ATOM 1971 CG GLN B 653 6.895 -13.057 -11.919 1.00 0.00 C ATOM 1972 CD GLN B 653 7.454 -14.202 -12.741 1.00 0.00 C ATOM 1973 OE1 GLN B 653 6.574 -15.072 -13.220 1.00 0.00 O flip ATOM 1974 NE2 GLN B 653 8.664 -14.303 -12.942 1.00 0.00 N flip ATOM 0 H GLN B 653 5.280 -14.023 -10.236 1.00 0.00 H new ATOM 0 HA GLN B 653 7.029 -12.576 -8.479 1.00 0.00 H new ATOM 0 HB2 GLN B 653 8.350 -12.274 -10.559 1.00 0.00 H new ATOM 0 HB3 GLN B 653 7.923 -13.949 -10.268 1.00 0.00 H new ATOM 0 HG2 GLN B 653 5.816 -13.176 -11.824 1.00 0.00 H new ATOM 0 HG3 GLN B 653 7.067 -12.119 -12.446 1.00 0.00 H new ATOM 0 HE21 GLN B 653 9.305 -13.611 -12.554 1.00 0.00 H new ATOM 0 HE22 GLN B 653 9.026 -15.079 -13.496 1.00 0.00 H new ATOM 1981 N ALA B 654 5.146 -10.930 -10.626 1.00 0.00 N ATOM 1982 CA ALA B 654 4.632 -9.608 -10.962 1.00 0.00 C ATOM 1983 C ALA B 654 3.921 -8.977 -9.769 1.00 0.00 C ATOM 1984 O ALA B 654 4.058 -7.781 -9.515 1.00 0.00 O ATOM 1985 CB ALA B 654 3.691 -9.694 -12.153 1.00 0.00 C ATOM 0 H ALA B 654 4.726 -11.693 -11.157 1.00 0.00 H new ATOM 0 HA ALA B 654 5.478 -8.973 -11.227 1.00 0.00 H new ATOM 0 HB1 ALA B 654 3.315 -8.699 -12.392 1.00 0.00 H new ATOM 0 HB2 ALA B 654 4.228 -10.096 -13.013 1.00 0.00 H new ATOM 0 HB3 ALA B 654 2.855 -10.349 -11.909 1.00 0.00 H new ATOM 1991 N TRP B 655 3.164 -9.789 -9.041 1.00 0.00 N ATOM 1992 CA TRP B 655 2.431 -9.309 -7.874 1.00 0.00 C ATOM 1993 C TRP B 655 3.389 -8.881 -6.768 1.00 0.00 C ATOM 1994 O TRP B 655 3.282 -7.777 -6.235 1.00 0.00 O ATOM 1995 CB TRP B 655 1.486 -10.395 -7.356 1.00 0.00 C ATOM 1996 CG TRP B 655 0.508 -9.895 -6.338 1.00 0.00 C ATOM 1997 CD1 TRP B 655 -0.802 -9.573 -6.549 1.00 0.00 C ATOM 1998 CD2 TRP B 655 0.762 -9.660 -4.948 1.00 0.00 C ATOM 1999 NE1 TRP B 655 -1.378 -9.149 -5.375 1.00 0.00 N ATOM 2000 CE2 TRP B 655 -0.439 -9.195 -4.378 1.00 0.00 C ATOM 2001 CE3 TRP B 655 1.887 -9.797 -4.130 1.00 0.00 C ATOM 2002 CZ2 TRP B 655 -0.545 -8.868 -3.029 1.00 0.00 C ATOM 2003 CZ3 TRP B 655 1.780 -9.472 -2.791 1.00 0.00 C ATOM 2004 CH2 TRP B 655 0.572 -9.013 -2.251 1.00 0.00 C ATOM 0 H TRP B 655 3.041 -10.782 -9.237 1.00 0.00 H new ATOM 0 HA TRP B 655 1.844 -8.442 -8.176 1.00 0.00 H new ATOM 0 HB2 TRP B 655 0.938 -10.821 -8.197 1.00 0.00 H new ATOM 0 HB3 TRP B 655 2.075 -11.201 -6.918 1.00 0.00 H new ATOM 0 HD1 TRP B 655 -1.311 -9.641 -7.499 1.00 0.00 H new ATOM 0 HE1 TRP B 655 -2.347 -8.849 -5.264 1.00 0.00 H new ATOM 0 HE3 TRP B 655 2.823 -10.150 -4.537 1.00 0.00 H new ATOM 0 HZ2 TRP B 655 -1.475 -8.513 -2.611 1.00 0.00 H new ATOM 0 HZ3 TRP B 655 2.643 -9.574 -2.150 1.00 0.00 H new ATOM 0 HH2 TRP B 655 0.521 -8.769 -1.200 1.00 0.00 H new ATOM 2014 N GLN B 656 4.324 -9.763 -6.426 1.00 0.00 N ATOM 2015 CA GLN B 656 5.300 -9.475 -5.383 1.00 0.00 C ATOM 2016 C GLN B 656 6.000 -8.146 -5.644 1.00 0.00 C ATOM 2017 O GLN B 656 6.420 -7.461 -4.712 1.00 0.00 O ATOM 2018 CB GLN B 656 6.332 -10.601 -5.296 1.00 0.00 C ATOM 2019 CG GLN B 656 5.852 -11.808 -4.505 1.00 0.00 C ATOM 2020 CD GLN B 656 6.984 -12.545 -3.820 1.00 0.00 C ATOM 2021 OE1 GLN B 656 7.378 -13.633 -4.241 1.00 0.00 O ATOM 2022 NE2 GLN B 656 7.516 -11.955 -2.755 1.00 0.00 N ATOM 0 H GLN B 656 4.425 -10.682 -6.856 1.00 0.00 H new ATOM 0 HA GLN B 656 4.769 -9.404 -4.434 1.00 0.00 H new ATOM 0 HB2 GLN B 656 6.595 -10.920 -6.305 1.00 0.00 H new ATOM 0 HB3 GLN B 656 7.241 -10.214 -4.836 1.00 0.00 H new ATOM 0 HG2 GLN B 656 5.130 -11.483 -3.756 1.00 0.00 H new ATOM 0 HG3 GLN B 656 5.331 -12.492 -5.174 1.00 0.00 H new ATOM 0 HE21 GLN B 656 7.159 -11.053 -2.440 1.00 0.00 H new ATOM 0 HE22 GLN B 656 8.282 -12.404 -2.252 1.00 0.00 H new ATOM 2029 N ALA B 657 6.125 -7.789 -6.918 1.00 0.00 N ATOM 2030 CA ALA B 657 6.774 -6.542 -7.302 1.00 0.00 C ATOM 2031 C ALA B 657 5.756 -5.416 -7.449 1.00 0.00 C ATOM 2032 O ALA B 657 6.100 -4.239 -7.353 1.00 0.00 O ATOM 2033 CB ALA B 657 7.551 -6.728 -8.597 1.00 0.00 C ATOM 0 H ALA B 657 5.785 -8.346 -7.702 1.00 0.00 H new ATOM 0 HA ALA B 657 7.471 -6.265 -6.511 1.00 0.00 H new ATOM 0 HB1 ALA B 657 8.031 -5.788 -8.872 1.00 0.00 H new ATOM 0 HB2 ALA B 657 8.311 -7.496 -8.458 1.00 0.00 H new ATOM 0 HB3 ALA B 657 6.868 -7.033 -9.390 1.00 0.00 H new ATOM 2039 N GLN B 658 4.501 -5.787 -7.686 1.00 0.00 N ATOM 2040 CA GLN B 658 3.434 -4.807 -7.849 1.00 0.00 C ATOM 2041 C GLN B 658 3.012 -4.232 -6.501 1.00 0.00 C ATOM 2042 O GLN B 658 2.979 -3.015 -6.318 1.00 0.00 O ATOM 2043 CB GLN B 658 2.230 -5.445 -8.544 1.00 0.00 C ATOM 2044 CG GLN B 658 2.266 -5.322 -10.059 1.00 0.00 C ATOM 2045 CD GLN B 658 0.987 -5.805 -10.714 1.00 0.00 C ATOM 2046 OE1 GLN B 658 -0.033 -5.115 -10.695 1.00 0.00 O ATOM 2047 NE2 GLN B 658 1.034 -6.995 -11.300 1.00 0.00 N ATOM 0 H GLN B 658 4.199 -6.758 -7.769 1.00 0.00 H new ATOM 0 HA GLN B 658 3.813 -3.993 -8.467 1.00 0.00 H new ATOM 0 HB2 GLN B 658 2.183 -6.500 -8.275 1.00 0.00 H new ATOM 0 HB3 GLN B 658 1.317 -4.980 -8.172 1.00 0.00 H new ATOM 0 HG2 GLN B 658 2.438 -4.281 -10.331 1.00 0.00 H new ATOM 0 HG3 GLN B 658 3.108 -5.896 -10.447 1.00 0.00 H new ATOM 0 HE21 GLN B 658 1.900 -7.533 -11.292 1.00 0.00 H new ATOM 0 HE22 GLN B 658 0.204 -7.371 -11.758 1.00 0.00 H new ATOM 2054 N TRP B 659 2.690 -5.114 -5.562 1.00 0.00 N ATOM 2055 CA TRP B 659 2.270 -4.694 -4.230 1.00 0.00 C ATOM 2056 C TRP B 659 3.323 -3.798 -3.584 1.00 0.00 C ATOM 2057 O TRP B 659 3.002 -2.749 -3.029 1.00 0.00 O ATOM 2058 CB TRP B 659 2.009 -5.914 -3.346 1.00 0.00 C ATOM 2059 CG TRP B 659 1.555 -5.559 -1.963 1.00 0.00 C ATOM 2060 CD1 TRP B 659 2.340 -5.165 -0.917 1.00 0.00 C ATOM 2061 CD2 TRP B 659 0.209 -5.569 -1.475 1.00 0.00 C ATOM 2062 NE1 TRP B 659 1.563 -4.929 0.191 1.00 0.00 N ATOM 2063 CE2 TRP B 659 0.252 -5.168 -0.125 1.00 0.00 C ATOM 2064 CE3 TRP B 659 -1.030 -5.874 -2.048 1.00 0.00 C ATOM 2065 CZ2 TRP B 659 -0.895 -5.067 0.659 1.00 0.00 C ATOM 2066 CZ3 TRP B 659 -2.166 -5.774 -1.269 1.00 0.00 C ATOM 2067 CH2 TRP B 659 -2.094 -5.372 0.072 1.00 0.00 C ATOM 0 H TRP B 659 2.712 -6.125 -5.698 1.00 0.00 H new ATOM 0 HA TRP B 659 1.347 -4.124 -4.331 1.00 0.00 H new ATOM 0 HB2 TRP B 659 1.253 -6.541 -3.819 1.00 0.00 H new ATOM 0 HB3 TRP B 659 2.921 -6.508 -3.280 1.00 0.00 H new ATOM 0 HD1 TRP B 659 3.414 -5.055 -0.955 1.00 0.00 H new ATOM 0 HE1 TRP B 659 1.907 -4.625 1.102 1.00 0.00 H new ATOM 0 HE3 TRP B 659 -1.097 -6.182 -3.081 1.00 0.00 H new ATOM 0 HZ2 TRP B 659 -0.841 -4.759 1.693 1.00 0.00 H new ATOM 0 HZ3 TRP B 659 -3.127 -6.010 -1.701 1.00 0.00 H new ATOM 0 HH2 TRP B 659 -3.001 -5.301 0.653 1.00 0.00 H new ATOM 2077 N ASN B 660 4.581 -4.221 -3.663 1.00 0.00 N ATOM 2078 CA ASN B 660 5.680 -3.456 -3.085 1.00 0.00 C ATOM 2079 C ASN B 660 5.781 -2.077 -3.729 1.00 0.00 C ATOM 2080 O ASN B 660 5.706 -1.056 -3.046 1.00 0.00 O ATOM 2081 CB ASN B 660 7.000 -4.211 -3.259 1.00 0.00 C ATOM 2082 CG ASN B 660 8.034 -3.813 -2.224 1.00 0.00 C ATOM 2083 OD1 ASN B 660 8.501 -2.674 -2.202 1.00 0.00 O ATOM 2084 ND2 ASN B 660 8.398 -4.752 -1.359 1.00 0.00 N ATOM 0 H ASN B 660 4.864 -5.088 -4.121 1.00 0.00 H new ATOM 0 HA ASN B 660 5.480 -3.326 -2.021 1.00 0.00 H new ATOM 0 HB2 ASN B 660 6.814 -5.283 -3.190 1.00 0.00 H new ATOM 0 HB3 ASN B 660 7.396 -4.020 -4.256 1.00 0.00 H new ATOM 0 HD21 ASN B 660 9.090 -4.542 -0.640 1.00 0.00 H new ATOM 0 HD22 ASN B 660 7.985 -5.683 -1.413 1.00 0.00 H new ATOM 2090 N GLN B 661 5.953 -2.056 -5.046 1.00 0.00 N ATOM 2091 CA GLN B 661 6.064 -0.803 -5.782 1.00 0.00 C ATOM 2092 C GLN B 661 4.871 0.104 -5.497 1.00 0.00 C ATOM 2093 O GLN B 661 5.018 1.320 -5.374 1.00 0.00 O ATOM 2094 CB GLN B 661 6.165 -1.075 -7.284 1.00 0.00 C ATOM 2095 CG GLN B 661 7.516 -1.622 -7.713 1.00 0.00 C ATOM 2096 CD GLN B 661 8.655 -0.666 -7.418 1.00 0.00 C ATOM 2097 OE1 GLN B 661 8.522 0.547 -7.591 1.00 0.00 O ATOM 2098 NE2 GLN B 661 9.783 -1.205 -6.971 1.00 0.00 N ATOM 0 H GLN B 661 6.019 -2.893 -5.626 1.00 0.00 H new ATOM 0 HA GLN B 661 6.970 -0.296 -5.450 1.00 0.00 H new ATOM 0 HB2 GLN B 661 5.388 -1.784 -7.570 1.00 0.00 H new ATOM 0 HB3 GLN B 661 5.968 -0.150 -7.826 1.00 0.00 H new ATOM 0 HG2 GLN B 661 7.699 -2.567 -7.202 1.00 0.00 H new ATOM 0 HG3 GLN B 661 7.494 -1.836 -8.782 1.00 0.00 H new ATOM 0 HE21 GLN B 661 9.850 -2.215 -6.842 1.00 0.00 H new ATOM 0 HE22 GLN B 661 10.583 -0.609 -6.756 1.00 0.00 H new ATOM 2105 N ALA B 662 3.690 -0.496 -5.394 1.00 0.00 N ATOM 2106 CA ALA B 662 2.472 0.256 -5.121 1.00 0.00 C ATOM 2107 C ALA B 662 2.493 0.845 -3.715 1.00 0.00 C ATOM 2108 O ALA B 662 2.321 2.050 -3.534 1.00 0.00 O ATOM 2109 CB ALA B 662 1.250 -0.631 -5.306 1.00 0.00 C ATOM 0 H ALA B 662 3.551 -1.501 -5.496 1.00 0.00 H new ATOM 0 HA ALA B 662 2.418 1.081 -5.831 1.00 0.00 H new ATOM 0 HB1 ALA B 662 0.348 -0.055 -5.099 1.00 0.00 H new ATOM 0 HB2 ALA B 662 1.219 -0.998 -6.332 1.00 0.00 H new ATOM 0 HB3 ALA B 662 1.307 -1.476 -4.620 1.00 0.00 H new ATOM 2115 N MET B 663 2.705 -0.013 -2.723 1.00 0.00 N ATOM 2116 CA MET B 663 2.749 0.424 -1.332 1.00 0.00 C ATOM 2117 C MET B 663 3.721 1.585 -1.157 1.00 0.00 C ATOM 2118 O MET B 663 3.449 2.527 -0.413 1.00 0.00 O ATOM 2119 CB MET B 663 3.155 -0.738 -0.423 1.00 0.00 C ATOM 2120 CG MET B 663 2.017 -1.262 0.438 1.00 0.00 C ATOM 2121 SD MET B 663 2.142 -0.728 2.156 1.00 0.00 S ATOM 2122 CE MET B 663 0.425 -0.800 2.659 1.00 0.00 C ATOM 0 H MET B 663 2.849 -1.014 -2.856 1.00 0.00 H new ATOM 0 HA MET B 663 1.752 0.764 -1.052 1.00 0.00 H new ATOM 0 HB2 MET B 663 3.539 -1.552 -1.037 1.00 0.00 H new ATOM 0 HB3 MET B 663 3.970 -0.415 0.224 1.00 0.00 H new ATOM 0 HG2 MET B 663 1.068 -0.922 0.024 1.00 0.00 H new ATOM 0 HG3 MET B 663 2.010 -2.351 0.400 1.00 0.00 H new ATOM 0 HE1 MET B 663 0.051 0.211 2.824 1.00 0.00 H new ATOM 0 HE2 MET B 663 -0.163 -1.281 1.878 1.00 0.00 H new ATOM 0 HE3 MET B 663 0.340 -1.373 3.582 1.00 0.00 H new ATOM 2130 N GLU B 664 4.855 1.511 -1.847 1.00 0.00 N ATOM 2131 CA GLU B 664 5.868 2.557 -1.765 1.00 0.00 C ATOM 2132 C GLU B 664 5.268 3.921 -2.096 1.00 0.00 C ATOM 2133 O GLU B 664 5.359 4.860 -1.304 1.00 0.00 O ATOM 2134 CB GLU B 664 7.025 2.253 -2.719 1.00 0.00 C ATOM 2135 CG GLU B 664 8.268 3.086 -2.453 1.00 0.00 C ATOM 2136 CD GLU B 664 9.533 2.426 -2.965 1.00 0.00 C ATOM 2137 OE1 GLU B 664 9.632 1.184 -2.874 1.00 0.00 O ATOM 2138 OE2 GLU B 664 10.424 3.150 -3.455 1.00 0.00 O ATOM 0 H GLU B 664 5.095 0.739 -2.468 1.00 0.00 H new ATOM 0 HA GLU B 664 6.246 2.582 -0.743 1.00 0.00 H new ATOM 0 HB2 GLU B 664 7.282 1.197 -2.640 1.00 0.00 H new ATOM 0 HB3 GLU B 664 6.695 2.425 -3.743 1.00 0.00 H new ATOM 0 HG2 GLU B 664 8.155 4.062 -2.926 1.00 0.00 H new ATOM 0 HG3 GLU B 664 8.362 3.260 -1.381 1.00 0.00 H new ATOM 2143 N ASP B 665 4.657 4.023 -3.271 1.00 0.00 N ATOM 2144 CA ASP B 665 4.043 5.272 -3.707 1.00 0.00 C ATOM 2145 C ASP B 665 2.793 5.578 -2.887 1.00 0.00 C ATOM 2146 O ASP B 665 2.427 6.739 -2.703 1.00 0.00 O ATOM 2147 CB ASP B 665 3.687 5.199 -5.193 1.00 0.00 C ATOM 2148 CG ASP B 665 3.350 6.557 -5.775 1.00 0.00 C ATOM 2149 OD1 ASP B 665 3.692 7.577 -5.141 1.00 0.00 O ATOM 2150 OD2 ASP B 665 2.744 6.600 -6.866 1.00 0.00 O ATOM 0 H ASP B 665 4.574 3.256 -3.939 1.00 0.00 H new ATOM 0 HA ASP B 665 4.763 6.075 -3.553 1.00 0.00 H new ATOM 0 HB2 ASP B 665 4.524 4.769 -5.743 1.00 0.00 H new ATOM 0 HB3 ASP B 665 2.838 4.528 -5.328 1.00 0.00 H new ATOM 2154 N LEU B 666 2.140 4.528 -2.399 1.00 0.00 N ATOM 2155 CA LEU B 666 0.930 4.684 -1.599 1.00 0.00 C ATOM 2156 C LEU B 666 1.228 5.424 -0.299 1.00 0.00 C ATOM 2157 O LEU B 666 0.438 6.255 0.150 1.00 0.00 O ATOM 2158 CB LEU B 666 0.319 3.316 -1.292 1.00 0.00 C ATOM 2159 CG LEU B 666 -0.201 3.118 0.132 1.00 0.00 C ATOM 2160 CD1 LEU B 666 -1.421 3.990 0.381 1.00 0.00 C ATOM 2161 CD2 LEU B 666 -0.531 1.653 0.381 1.00 0.00 C ATOM 0 H LEU B 666 2.428 3.560 -2.543 1.00 0.00 H new ATOM 0 HA LEU B 666 0.216 5.273 -2.175 1.00 0.00 H new ATOM 0 HB2 LEU B 666 -0.504 3.144 -1.985 1.00 0.00 H new ATOM 0 HB3 LEU B 666 1.070 2.552 -1.493 1.00 0.00 H new ATOM 0 HG LEU B 666 0.582 3.417 0.829 1.00 0.00 H new ATOM 0 HD11 LEU B 666 -1.777 3.835 1.400 1.00 0.00 H new ATOM 0 HD12 LEU B 666 -1.153 5.038 0.245 1.00 0.00 H new ATOM 0 HD13 LEU B 666 -2.209 3.723 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU B 666 -0.900 1.531 1.400 1.00 0.00 H new ATOM 0 HD22 LEU B 666 -1.297 1.328 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU B 666 0.367 1.050 0.245 1.00 0.00 H new ATOM 2172 N VAL B 667 2.375 5.119 0.300 1.00 0.00 N ATOM 2173 CA VAL B 667 2.779 5.758 1.547 1.00 0.00 C ATOM 2174 C VAL B 667 3.223 7.196 1.309 1.00 0.00 C ATOM 2175 O VAL B 667 2.754 8.120 1.974 1.00 0.00 O ATOM 2176 CB VAL B 667 3.925 4.985 2.227 1.00 0.00 C ATOM 2177 CG1 VAL B 667 4.208 5.555 3.609 1.00 0.00 C ATOM 2178 CG2 VAL B 667 3.592 3.503 2.312 1.00 0.00 C ATOM 0 H VAL B 667 3.040 4.434 -0.058 1.00 0.00 H new ATOM 0 HA VAL B 667 1.908 5.754 2.202 1.00 0.00 H new ATOM 0 HB VAL B 667 4.824 5.098 1.622 1.00 0.00 H new ATOM 0 HG11 VAL B 667 5.020 4.996 4.074 1.00 0.00 H new ATOM 0 HG12 VAL B 667 4.494 6.603 3.519 1.00 0.00 H new ATOM 0 HG13 VAL B 667 3.313 5.475 4.226 1.00 0.00 H new ATOM 0 HG21 VAL B 667 4.413 2.973 2.795 1.00 0.00 H new ATOM 0 HG22 VAL B 667 2.680 3.368 2.894 1.00 0.00 H new ATOM 0 HG23 VAL B 667 3.444 3.105 1.308 1.00 0.00 H new ATOM 2188 N ARG B 668 4.130 7.380 0.354 1.00 0.00 N ATOM 2189 CA ARG B 668 4.638 8.708 0.028 1.00 0.00 C ATOM 2190 C ARG B 668 3.499 9.644 -0.367 1.00 0.00 C ATOM 2191 O ARG B 668 3.558 10.848 -0.118 1.00 0.00 O ATOM 2192 CB ARG B 668 5.659 8.622 -1.108 1.00 0.00 C ATOM 2193 CG ARG B 668 6.849 7.731 -0.791 1.00 0.00 C ATOM 2194 CD ARG B 668 7.448 7.131 -2.053 1.00 0.00 C ATOM 2195 NE ARG B 668 7.971 8.158 -2.951 1.00 0.00 N ATOM 2196 CZ ARG B 668 8.407 7.905 -4.180 1.00 0.00 C ATOM 2197 NH1 ARG B 668 8.383 6.667 -4.655 1.00 0.00 N ATOM 2198 NH2 ARG B 668 8.869 8.892 -4.937 1.00 0.00 N ATOM 0 H ARG B 668 4.528 6.627 -0.207 1.00 0.00 H new ATOM 0 HA ARG B 668 5.125 9.111 0.916 1.00 0.00 H new ATOM 0 HB2 ARG B 668 5.163 8.247 -2.003 1.00 0.00 H new ATOM 0 HB3 ARG B 668 6.018 9.625 -1.339 1.00 0.00 H new ATOM 0 HG2 ARG B 668 7.609 8.310 -0.266 1.00 0.00 H new ATOM 0 HG3 ARG B 668 6.537 6.931 -0.119 1.00 0.00 H new ATOM 0 HD2 ARG B 668 8.249 6.443 -1.783 1.00 0.00 H new ATOM 0 HD3 ARG B 668 6.689 6.547 -2.573 1.00 0.00 H new ATOM 0 HE ARG B 668 8.003 9.121 -2.616 1.00 0.00 H new ATOM 0 HH11 ARG B 668 8.029 5.905 -4.076 1.00 0.00 H new ATOM 0 HH12 ARG B 668 8.719 6.476 -5.599 1.00 0.00 H new ATOM 0 HH21 ARG B 668 8.889 9.845 -4.575 1.00 0.00 H new ATOM 0 HH22 ARG B 668 9.204 8.697 -5.881 1.00 0.00 H new ATOM 2209 N ALA B 669 2.465 9.081 -0.983 1.00 0.00 N ATOM 2210 CA ALA B 669 1.313 9.864 -1.410 1.00 0.00 C ATOM 2211 C ALA B 669 0.699 10.624 -0.238 1.00 0.00 C ATOM 2212 O ALA B 669 0.413 11.817 -0.340 1.00 0.00 O ATOM 2213 CB ALA B 669 0.273 8.963 -2.060 1.00 0.00 C ATOM 0 H ALA B 669 2.402 8.086 -1.197 1.00 0.00 H new ATOM 0 HA ALA B 669 1.654 10.594 -2.144 1.00 0.00 H new ATOM 0 HB1 ALA B 669 -0.582 9.562 -2.374 1.00 0.00 H new ATOM 0 HB2 ALA B 669 0.710 8.471 -2.929 1.00 0.00 H new ATOM 0 HB3 ALA B 669 -0.055 8.210 -1.343 1.00 0.00 H new ATOM 2219 N TYR B 670 0.497 9.924 0.873 1.00 0.00 N ATOM 2220 CA TYR B 670 -0.085 10.531 2.063 1.00 0.00 C ATOM 2221 C TYR B 670 0.921 11.443 2.758 1.00 0.00 C ATOM 2222 O TYR B 670 0.551 12.451 3.362 1.00 0.00 O ATOM 2223 CB TYR B 670 -0.564 9.448 3.032 1.00 0.00 C ATOM 2224 CG TYR B 670 -0.987 9.987 4.380 1.00 0.00 C ATOM 2225 CD1 TYR B 670 -0.062 10.159 5.402 1.00 0.00 C ATOM 2226 CD2 TYR B 670 -2.312 10.321 4.632 1.00 0.00 C ATOM 2227 CE1 TYR B 670 -0.444 10.649 6.636 1.00 0.00 C ATOM 2228 CE2 TYR B 670 -2.702 10.813 5.863 1.00 0.00 C ATOM 2229 CZ TYR B 670 -1.765 10.975 6.861 1.00 0.00 C ATOM 2230 OH TYR B 670 -2.151 11.465 8.088 1.00 0.00 O ATOM 0 H TYR B 670 0.728 8.936 0.974 1.00 0.00 H new ATOM 0 HA TYR B 670 -0.938 11.133 1.752 1.00 0.00 H new ATOM 0 HB2 TYR B 670 -1.403 8.916 2.583 1.00 0.00 H new ATOM 0 HB3 TYR B 670 0.235 8.721 3.175 1.00 0.00 H new ATOM 0 HD1 TYR B 670 0.973 9.905 5.229 1.00 0.00 H new ATOM 0 HD2 TYR B 670 -3.049 10.194 3.853 1.00 0.00 H new ATOM 0 HE1 TYR B 670 0.288 10.776 7.420 1.00 0.00 H new ATOM 0 HE2 TYR B 670 -3.736 11.069 6.042 1.00 0.00 H new ATOM 0 HH TYR B 670 -3.114 11.645 8.080 1.00 0.00 H new ATOM 2239 N HIS B 671 2.197 11.081 2.669 1.00 0.00 N ATOM 2240 CA HIS B 671 3.260 11.867 3.288 1.00 0.00 C ATOM 2241 C HIS B 671 3.437 13.201 2.570 1.00 0.00 C ATOM 2242 O HIS B 671 3.960 14.159 3.140 1.00 0.00 O ATOM 2243 CB HIS B 671 4.575 11.086 3.271 1.00 0.00 C ATOM 2244 CG HIS B 671 5.715 11.823 3.904 1.00 0.00 C ATOM 2245 ND1 HIS B 671 6.814 12.262 3.193 1.00 0.00 N ATOM 2246 CD2 HIS B 671 5.925 12.199 5.186 1.00 0.00 C ATOM 2247 CE1 HIS B 671 7.648 12.874 4.013 1.00 0.00 C ATOM 2248 NE2 HIS B 671 7.132 12.850 5.229 1.00 0.00 N ATOM 0 H HIS B 671 2.520 10.249 2.175 1.00 0.00 H new ATOM 0 HA HIS B 671 2.977 12.066 4.322 1.00 0.00 H new ATOM 0 HB2 HIS B 671 4.432 10.138 3.790 1.00 0.00 H new ATOM 0 HB3 HIS B 671 4.834 10.849 2.239 1.00 0.00 H new ATOM 0 HD2 HIS B 671 5.265 12.020 6.022 1.00 0.00 H new ATOM 0 HE1 HIS B 671 8.592 13.319 3.737 1.00 0.00 H new ATOM 0 HE2 HIS B 671 7.561 13.250 6.063 1.00 0.00 H new ATOM 2255 N ALA B 672 2.999 13.257 1.316 1.00 0.00 N ATOM 2256 CA ALA B 672 3.108 14.475 0.523 1.00 0.00 C ATOM 2257 C ALA B 672 2.504 15.666 1.258 1.00 0.00 C ATOM 2258 O ALA B 672 3.056 16.766 1.235 1.00 0.00 O ATOM 2259 CB ALA B 672 2.431 14.286 -0.828 1.00 0.00 C ATOM 0 H ALA B 672 2.566 12.473 0.828 1.00 0.00 H new ATOM 0 HA ALA B 672 4.166 14.681 0.362 1.00 0.00 H new ATOM 0 HB1 ALA B 672 2.519 15.203 -1.411 1.00 0.00 H new ATOM 0 HB2 ALA B 672 2.911 13.468 -1.364 1.00 0.00 H new ATOM 0 HB3 ALA B 672 1.377 14.052 -0.677 1.00 0.00 H new ATOM 2265 N MET B 673 1.367 15.439 1.908 1.00 0.00 N ATOM 2266 CA MET B 673 0.689 16.495 2.650 1.00 0.00 C ATOM 2267 C MET B 673 1.541 16.968 3.824 1.00 0.00 C ATOM 2268 O MET B 673 1.648 18.167 4.083 1.00 0.00 O ATOM 2269 CB MET B 673 -0.668 16.002 3.157 1.00 0.00 C ATOM 2270 CG MET B 673 -1.393 17.010 4.032 1.00 0.00 C ATOM 2271 SD MET B 673 -3.004 16.419 4.585 1.00 0.00 S ATOM 2272 CE MET B 673 -2.535 14.929 5.462 1.00 0.00 C ATOM 0 H MET B 673 0.897 14.534 1.936 1.00 0.00 H new ATOM 0 HA MET B 673 0.533 17.336 1.974 1.00 0.00 H new ATOM 0 HB2 MET B 673 -1.298 15.756 2.302 1.00 0.00 H new ATOM 0 HB3 MET B 673 -0.523 15.081 3.722 1.00 0.00 H new ATOM 0 HG2 MET B 673 -0.777 17.240 4.901 1.00 0.00 H new ATOM 0 HG3 MET B 673 -1.522 17.940 3.478 1.00 0.00 H new ATOM 0 HE1 MET B 673 -3.340 14.634 6.135 1.00 0.00 H new ATOM 0 HE2 MET B 673 -2.349 14.129 4.746 1.00 0.00 H new ATOM 0 HE3 MET B 673 -1.630 15.117 6.040 1.00 0.00 H new