USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 563 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 HIS : no HE2:sc= -7.37! C(o=-7.4!,f=-11!) USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 38 SER OG : rot 160:sc= -0.0255 USER MOD Set 2.2: A 72 ASN :FLIP amide:sc= -3.65! C(o=-5.8!,f=-3.7!) USER MOD Set 3.1: A 60 THR OG1 : rot -159:sc= -1.84! USER MOD Set 3.2: A 61 THR OG1 : rot -94:sc= -5.45! USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.515 X(o=-0.51,f=-0.64) USER MOD Single : A 31 GLN :FLIP amide:sc= -1.16 F(o=-2.2!,f=-1.2) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -96:sc= -2.25! USER MOD Single : A 36 SER OG : rot -101:sc= 1.37 USER MOD Single : A 39 THR OG1 : rot 139:sc= 0.0191 USER MOD Single : A 40 THR OG1 : rot 108:sc= -4.05! USER MOD Single : A 42 THR OG1 : rot -160:sc= 0.123 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -1.72 K(o=-1.7,f=-12!) USER MOD Single : A 48 SER OG : rot 120:sc= 0.665 USER MOD Single : A 50 SER OG : rot -38:sc= 0.533 USER MOD Single : A 51 SER OG : rot 2:sc= 0.846 USER MOD Single : A 52 MET CE :methyl 172:sc= -18.6! (180deg=-19.5!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -2.3! USER MOD Single : A 55 HIS : no HD1:sc= -4.16! C(o=-4.2!,f=-8.1!) USER MOD Single : A 58 GLN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.522 X(o=-0.52,f=-0.035) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.937 K(o=-0.94,f=-13!) USER MOD Single : A 82 SER OG : rot -170:sc= -0.692 USER MOD Single : A 87 THR OG1 : rot 133:sc= -2.02! USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 96 TYR OH : rot 30:sc= -0.04 USER MOD Single : A 98 ASN : amide:sc= -6.19! C(o=-6.2!,f=-12!) USER MOD Single : A 100 THR OG1 : rot 111:sc= -1.84! USER MOD Single : A 101 GLN : amide:sc= -0.0715 K(o=-0.071,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 358 N ASP A 24 -4.834 5.745 7.571 1.00 0.00 N ATOM 359 CA ASP A 24 -5.314 4.370 7.889 1.00 0.00 C ATOM 360 C ASP A 24 -6.842 4.357 7.966 1.00 0.00 C ATOM 361 O ASP A 24 -7.421 4.266 9.030 1.00 0.00 O ATOM 362 CB ASP A 24 -4.704 4.041 9.251 1.00 0.00 C ATOM 363 CG ASP A 24 -5.226 5.030 10.295 1.00 0.00 C ATOM 364 OD1 ASP A 24 -5.875 5.986 9.904 1.00 0.00 O ATOM 365 OD2 ASP A 24 -4.969 4.813 11.468 1.00 0.00 O ATOM 0 HA ASP A 24 -5.025 3.642 7.131 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.960 3.022 9.540 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.617 4.093 9.197 1.00 0.00 H new ATOM 370 N CYS A 25 -7.498 4.444 6.842 1.00 0.00 N ATOM 371 CA CYS A 25 -8.988 4.433 6.841 1.00 0.00 C ATOM 372 C CYS A 25 -9.510 4.070 5.445 1.00 0.00 C ATOM 373 O CYS A 25 -8.761 4.011 4.490 1.00 0.00 O ATOM 374 CB CYS A 25 -9.409 5.851 7.269 1.00 0.00 C ATOM 375 SG CYS A 25 -9.574 6.957 5.836 1.00 0.00 S ATOM 0 H CYS A 25 -7.065 4.522 5.922 1.00 0.00 H new ATOM 0 HA CYS A 25 -9.404 3.689 7.520 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -10.357 5.804 7.805 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -8.671 6.258 7.961 1.00 0.00 H new ATOM 380 N TYR A 26 -10.785 3.836 5.319 1.00 0.00 N ATOM 381 CA TYR A 26 -11.349 3.489 3.985 1.00 0.00 C ATOM 382 C TYR A 26 -12.823 3.890 3.918 1.00 0.00 C ATOM 383 O TYR A 26 -13.328 4.576 4.785 1.00 0.00 O ATOM 384 CB TYR A 26 -11.194 1.975 3.860 1.00 0.00 C ATOM 385 CG TYR A 26 -12.006 1.282 4.928 1.00 0.00 C ATOM 386 CD1 TYR A 26 -13.396 1.176 4.796 1.00 0.00 C ATOM 387 CD2 TYR A 26 -11.367 0.738 6.047 1.00 0.00 C ATOM 388 CE1 TYR A 26 -14.144 0.524 5.783 1.00 0.00 C ATOM 389 CE2 TYR A 26 -12.116 0.086 7.033 1.00 0.00 C ATOM 390 CZ TYR A 26 -13.504 -0.022 6.901 1.00 0.00 C ATOM 391 OH TYR A 26 -14.243 -0.665 7.873 1.00 0.00 O ATOM 0 H TYR A 26 -11.462 3.870 6.082 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.840 4.011 3.175 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.522 1.648 2.873 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.144 1.700 3.954 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -13.891 1.597 3.933 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.295 0.821 6.150 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -15.216 0.442 5.682 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -11.622 -0.334 7.897 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.645 -0.986 8.580 1.00 0.00 H new ATOM 401 N HIS A 27 -13.517 3.475 2.894 1.00 0.00 N ATOM 402 CA HIS A 27 -14.956 3.848 2.779 1.00 0.00 C ATOM 403 C HIS A 27 -15.829 2.600 2.597 1.00 0.00 C ATOM 404 O HIS A 27 -16.216 2.260 1.497 1.00 0.00 O ATOM 405 CB HIS A 27 -15.031 4.740 1.539 1.00 0.00 C ATOM 406 CG HIS A 27 -16.467 4.901 1.122 1.00 0.00 C ATOM 407 ND1 HIS A 27 -17.457 5.278 2.014 1.00 0.00 N ATOM 408 CD2 HIS A 27 -17.094 4.738 -0.088 1.00 0.00 C ATOM 409 CE1 HIS A 27 -18.617 5.330 1.334 1.00 0.00 C ATOM 410 NE2 HIS A 27 -18.452 5.010 0.048 1.00 0.00 N ATOM 0 H HIS A 27 -13.153 2.897 2.136 1.00 0.00 H new ATOM 0 HA HIS A 27 -15.320 4.353 3.674 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -14.592 5.715 1.752 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -14.452 4.300 0.726 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -16.607 4.443 -1.006 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -19.566 5.598 1.775 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -19.167 4.973 -0.678 1.00 0.00 H new ATOM 418 N GLY A 28 -16.152 1.923 3.666 1.00 0.00 N ATOM 419 CA GLY A 28 -17.011 0.709 3.544 1.00 0.00 C ATOM 420 C GLY A 28 -16.167 -0.551 3.743 1.00 0.00 C ATOM 421 O GLY A 28 -16.195 -1.171 4.788 1.00 0.00 O ATOM 0 H GLY A 28 -15.860 2.156 4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -17.810 0.743 4.285 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -17.487 0.687 2.564 1.00 0.00 H new ATOM 425 N ASP A 29 -15.423 -0.941 2.745 1.00 0.00 N ATOM 426 CA ASP A 29 -14.584 -2.166 2.875 1.00 0.00 C ATOM 427 C ASP A 29 -13.228 -1.949 2.228 1.00 0.00 C ATOM 428 O ASP A 29 -12.578 -2.881 1.798 1.00 0.00 O ATOM 429 CB ASP A 29 -15.361 -3.260 2.144 1.00 0.00 C ATOM 430 CG ASP A 29 -15.861 -4.294 3.154 1.00 0.00 C ATOM 431 OD1 ASP A 29 -15.761 -4.030 4.341 1.00 0.00 O ATOM 432 OD2 ASP A 29 -16.336 -5.332 2.724 1.00 0.00 O ATOM 0 H ASP A 29 -15.360 -0.465 1.845 1.00 0.00 H new ATOM 0 HA ASP A 29 -14.397 -2.427 3.917 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -16.203 -2.825 1.606 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.723 -3.740 1.402 1.00 0.00 H new ATOM 437 N GLY A 30 -12.802 -0.723 2.124 1.00 0.00 N ATOM 438 CA GLY A 30 -11.497 -0.462 1.468 1.00 0.00 C ATOM 439 C GLY A 30 -11.524 -1.088 0.074 1.00 0.00 C ATOM 440 O GLY A 30 -10.511 -1.199 -0.588 1.00 0.00 O ATOM 0 H GLY A 30 -13.297 0.102 2.462 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.315 0.610 1.399 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.684 -0.886 2.058 1.00 0.00 H new ATOM 444 N GLN A 31 -12.683 -1.505 -0.378 1.00 0.00 N ATOM 445 CA GLN A 31 -12.771 -2.129 -1.730 1.00 0.00 C ATOM 446 C GLN A 31 -12.419 -1.108 -2.814 1.00 0.00 C ATOM 447 O GLN A 31 -11.709 -1.408 -3.754 1.00 0.00 O ATOM 448 CB GLN A 31 -14.226 -2.579 -1.867 1.00 0.00 C ATOM 449 CG GLN A 31 -14.302 -4.102 -1.750 1.00 0.00 C ATOM 450 CD GLN A 31 -14.874 -4.687 -3.042 1.00 0.00 C ATOM 451 OE1 GLN A 31 -14.289 -5.715 -3.593 1.00 0.00 O flip ATOM 452 NE2 GLN A 31 -15.863 -4.204 -3.556 1.00 0.00 N flip ATOM 0 H GLN A 31 -13.565 -1.439 0.130 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.075 -2.960 -1.844 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -14.836 -2.113 -1.093 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -14.629 -2.257 -2.827 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -13.310 -4.512 -1.561 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.929 -4.381 -0.903 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -16.321 -3.400 -3.126 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -16.236 -4.602 -4.418 1.00 0.00 H new ATOM 461 N SER A 32 -12.907 0.096 -2.693 1.00 0.00 N ATOM 462 CA SER A 32 -12.594 1.131 -3.719 1.00 0.00 C ATOM 463 C SER A 32 -11.301 1.862 -3.347 1.00 0.00 C ATOM 464 O SER A 32 -11.059 2.973 -3.775 1.00 0.00 O ATOM 465 CB SER A 32 -13.783 2.090 -3.691 1.00 0.00 C ATOM 466 OG SER A 32 -14.990 1.342 -3.754 1.00 0.00 O ATOM 0 H SER A 32 -13.508 0.408 -1.930 1.00 0.00 H new ATOM 0 HA SER A 32 -12.444 0.702 -4.710 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.760 2.690 -2.781 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.726 2.783 -4.531 1.00 0.00 H new ATOM 0 HG SER A 32 -15.755 1.954 -3.735 1.00 0.00 H new ATOM 472 N TYR A 33 -10.470 1.244 -2.552 1.00 0.00 N ATOM 473 CA TYR A 33 -9.193 1.903 -2.151 1.00 0.00 C ATOM 474 C TYR A 33 -8.275 2.062 -3.366 1.00 0.00 C ATOM 475 O TYR A 33 -7.833 1.095 -3.955 1.00 0.00 O ATOM 476 CB TYR A 33 -8.567 0.959 -1.122 1.00 0.00 C ATOM 477 CG TYR A 33 -7.590 1.726 -0.262 1.00 0.00 C ATOM 478 CD1 TYR A 33 -6.249 1.845 -0.652 1.00 0.00 C ATOM 479 CD2 TYR A 33 -8.027 2.321 0.927 1.00 0.00 C ATOM 480 CE1 TYR A 33 -5.349 2.560 0.148 1.00 0.00 C ATOM 481 CE2 TYR A 33 -7.128 3.036 1.726 1.00 0.00 C ATOM 482 CZ TYR A 33 -5.790 3.155 1.337 1.00 0.00 C ATOM 483 OH TYR A 33 -4.906 3.862 2.126 1.00 0.00 O ATOM 0 H TYR A 33 -10.619 0.313 -2.163 1.00 0.00 H new ATOM 0 HA TYR A 33 -9.353 2.901 -1.743 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -9.344 0.515 -0.500 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -8.057 0.139 -1.628 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -5.910 1.386 -1.569 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.060 2.228 1.228 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.316 2.653 -0.152 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -7.467 3.496 2.643 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.559 3.278 2.833 1.00 0.00 H new ATOM 493 N ARG A 34 -7.985 3.277 -3.747 1.00 0.00 N ATOM 494 CA ARG A 34 -7.095 3.499 -4.924 1.00 0.00 C ATOM 495 C ARG A 34 -5.848 4.280 -4.503 1.00 0.00 C ATOM 496 O ARG A 34 -5.773 5.481 -4.667 1.00 0.00 O ATOM 497 CB ARG A 34 -7.933 4.318 -5.905 1.00 0.00 C ATOM 498 CG ARG A 34 -8.833 3.381 -6.713 1.00 0.00 C ATOM 499 CD ARG A 34 -9.908 4.199 -7.431 1.00 0.00 C ATOM 500 NE ARG A 34 -9.512 4.174 -8.866 1.00 0.00 N ATOM 501 CZ ARG A 34 -10.055 5.011 -9.707 1.00 0.00 C ATOM 502 NH1 ARG A 34 -11.220 5.537 -9.443 1.00 0.00 N ATOM 503 NH2 ARG A 34 -9.433 5.322 -10.811 1.00 0.00 N ATOM 0 H ARG A 34 -8.326 4.125 -3.295 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.751 2.563 -5.364 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.539 5.045 -5.364 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.282 4.881 -6.574 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.239 2.825 -7.438 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.298 2.648 -6.054 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.897 3.765 -7.286 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.949 5.219 -7.050 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.816 3.503 -9.192 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.706 5.294 -8.580 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.645 6.191 -10.100 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.522 4.911 -11.017 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.857 5.976 -11.469 1.00 0.00 H new ATOM 517 N GLY A 35 -4.870 3.607 -3.962 1.00 0.00 N ATOM 518 CA GLY A 35 -3.631 4.313 -3.532 1.00 0.00 C ATOM 519 C GLY A 35 -2.531 3.289 -3.248 1.00 0.00 C ATOM 520 O GLY A 35 -2.590 2.160 -3.693 1.00 0.00 O ATOM 0 H GLY A 35 -4.875 2.600 -3.799 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.306 5.005 -4.309 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.829 4.906 -2.639 1.00 0.00 H new ATOM 524 N SER A 36 -1.526 3.674 -2.511 1.00 0.00 N ATOM 525 CA SER A 36 -0.423 2.721 -2.202 1.00 0.00 C ATOM 526 C SER A 36 -0.257 2.576 -0.688 1.00 0.00 C ATOM 527 O SER A 36 0.828 2.707 -0.156 1.00 0.00 O ATOM 528 CB SER A 36 0.823 3.347 -2.821 1.00 0.00 C ATOM 529 OG SER A 36 0.714 3.304 -4.237 1.00 0.00 O ATOM 0 H SER A 36 -1.421 4.606 -2.110 1.00 0.00 H new ATOM 0 HA SER A 36 -0.616 1.723 -2.595 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.932 4.378 -2.484 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.714 2.809 -2.497 1.00 0.00 H new ATOM 0 HG SER A 36 1.248 2.559 -4.584 1.00 0.00 H new ATOM 535 N PHE A 37 -1.324 2.306 0.010 1.00 0.00 N ATOM 536 CA PHE A 37 -1.227 2.151 1.489 1.00 0.00 C ATOM 537 C PHE A 37 -0.846 0.718 1.846 1.00 0.00 C ATOM 538 O PHE A 37 -1.602 -0.001 2.468 1.00 0.00 O ATOM 539 CB PHE A 37 -2.620 2.489 2.014 1.00 0.00 C ATOM 540 CG PHE A 37 -2.567 2.642 3.515 1.00 0.00 C ATOM 541 CD1 PHE A 37 -1.693 3.569 4.095 1.00 0.00 C ATOM 542 CD2 PHE A 37 -3.390 1.852 4.326 1.00 0.00 C ATOM 543 CE1 PHE A 37 -1.644 3.708 5.487 1.00 0.00 C ATOM 544 CE2 PHE A 37 -3.341 1.991 5.718 1.00 0.00 C ATOM 545 CZ PHE A 37 -2.468 2.918 6.299 1.00 0.00 C ATOM 0 H PHE A 37 -2.259 2.186 -0.379 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.463 2.796 1.924 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.980 3.410 1.556 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.324 1.702 1.742 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.057 4.177 3.469 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.063 1.136 3.878 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.971 4.424 5.935 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.977 1.383 6.344 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.430 3.024 7.373 1.00 0.00 H new ATOM 555 N SER A 38 0.325 0.298 1.457 1.00 0.00 N ATOM 556 CA SER A 38 0.772 -1.088 1.769 1.00 0.00 C ATOM 557 C SER A 38 1.047 -1.272 3.267 1.00 0.00 C ATOM 558 O SER A 38 2.037 -1.866 3.648 1.00 0.00 O ATOM 559 CB SER A 38 2.067 -1.253 0.989 1.00 0.00 C ATOM 560 OG SER A 38 3.079 -0.452 1.586 1.00 0.00 O ATOM 0 H SER A 38 0.996 0.859 0.933 1.00 0.00 H new ATOM 0 HA SER A 38 0.010 -1.821 1.504 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.371 -2.300 0.984 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.919 -0.959 -0.050 1.00 0.00 H new ATOM 0 HG SER A 38 3.961 -0.781 1.312 1.00 0.00 H new ATOM 566 N THR A 39 0.187 -0.795 4.125 1.00 0.00 N ATOM 567 CA THR A 39 0.429 -0.983 5.581 1.00 0.00 C ATOM 568 C THR A 39 -0.433 -2.141 6.084 1.00 0.00 C ATOM 569 O THR A 39 -1.639 -2.138 5.934 1.00 0.00 O ATOM 570 CB THR A 39 0.006 0.334 6.236 1.00 0.00 C ATOM 571 OG1 THR A 39 0.984 1.329 5.969 1.00 0.00 O ATOM 572 CG2 THR A 39 -0.122 0.136 7.748 1.00 0.00 C ATOM 0 H THR A 39 -0.664 -0.288 3.883 1.00 0.00 H new ATOM 0 HA THR A 39 1.468 -1.221 5.810 1.00 0.00 H new ATOM 0 HB THR A 39 -0.955 0.650 5.830 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.539 2.178 5.763 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.423 1.074 8.214 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.872 -0.628 7.953 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.838 -0.180 8.156 1.00 0.00 H new ATOM 580 N THR A 40 0.173 -3.139 6.665 1.00 0.00 N ATOM 581 CA THR A 40 -0.621 -4.300 7.156 1.00 0.00 C ATOM 582 C THR A 40 -1.292 -3.967 8.493 1.00 0.00 C ATOM 583 O THR A 40 -0.869 -3.082 9.209 1.00 0.00 O ATOM 584 CB THR A 40 0.390 -5.437 7.324 1.00 0.00 C ATOM 585 OG1 THR A 40 1.339 -5.079 8.318 1.00 0.00 O ATOM 586 CG2 THR A 40 1.107 -5.692 5.994 1.00 0.00 C ATOM 0 H THR A 40 1.179 -3.201 6.821 1.00 0.00 H new ATOM 0 HA THR A 40 -1.421 -4.569 6.466 1.00 0.00 H new ATOM 0 HB THR A 40 -0.131 -6.345 7.628 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.180 -5.607 9.128 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.826 -6.502 6.118 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.376 -5.968 5.234 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.630 -4.787 5.683 1.00 0.00 H new ATOM 594 N VAL A 41 -2.339 -4.671 8.828 1.00 0.00 N ATOM 595 CA VAL A 41 -3.048 -4.402 10.113 1.00 0.00 C ATOM 596 C VAL A 41 -2.059 -4.429 11.285 1.00 0.00 C ATOM 597 O VAL A 41 -2.268 -3.792 12.298 1.00 0.00 O ATOM 598 CB VAL A 41 -4.076 -5.532 10.235 1.00 0.00 C ATOM 599 CG1 VAL A 41 -4.480 -5.720 11.700 1.00 0.00 C ATOM 600 CG2 VAL A 41 -5.316 -5.175 9.411 1.00 0.00 C ATOM 0 H VAL A 41 -2.736 -5.424 8.265 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.520 -3.420 10.131 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.636 -6.458 9.865 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.211 -6.525 11.775 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.599 -5.973 12.291 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.918 -4.796 12.078 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.051 -5.976 9.494 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.747 -4.247 9.786 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.034 -5.048 8.366 1.00 0.00 H new ATOM 610 N THR A 42 -0.988 -5.162 11.158 1.00 0.00 N ATOM 611 CA THR A 42 0.005 -5.226 12.269 1.00 0.00 C ATOM 612 C THR A 42 0.981 -4.049 12.179 1.00 0.00 C ATOM 613 O THR A 42 1.845 -3.882 13.018 1.00 0.00 O ATOM 614 CB THR A 42 0.743 -6.550 12.069 1.00 0.00 C ATOM 615 OG1 THR A 42 -0.191 -7.621 12.103 1.00 0.00 O ATOM 616 CG2 THR A 42 1.774 -6.734 13.182 1.00 0.00 C ATOM 0 H THR A 42 -0.757 -5.719 10.335 1.00 0.00 H new ATOM 0 HA THR A 42 -0.471 -5.169 13.248 1.00 0.00 H new ATOM 0 HB THR A 42 1.251 -6.541 11.105 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.279 -8.459 12.294 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.300 -7.678 13.039 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.490 -5.912 13.154 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.269 -6.743 14.148 1.00 0.00 H new ATOM 624 N GLY A 43 0.851 -3.234 11.169 1.00 0.00 N ATOM 625 CA GLY A 43 1.773 -2.072 11.025 1.00 0.00 C ATOM 626 C GLY A 43 2.934 -2.449 10.101 1.00 0.00 C ATOM 627 O GLY A 43 3.806 -1.650 9.826 1.00 0.00 O ATOM 0 H GLY A 43 0.146 -3.322 10.437 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.235 -1.216 10.618 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.154 -1.774 12.002 1.00 0.00 H new ATOM 631 N ARG A 44 2.952 -3.662 9.619 1.00 0.00 N ATOM 632 CA ARG A 44 4.057 -4.088 8.714 1.00 0.00 C ATOM 633 C ARG A 44 3.922 -3.413 7.352 1.00 0.00 C ATOM 634 O ARG A 44 3.300 -2.379 7.212 1.00 0.00 O ATOM 635 CB ARG A 44 3.898 -5.600 8.577 1.00 0.00 C ATOM 636 CG ARG A 44 5.251 -6.277 8.815 1.00 0.00 C ATOM 637 CD ARG A 44 5.071 -7.459 9.770 1.00 0.00 C ATOM 638 NE ARG A 44 3.850 -8.160 9.285 1.00 0.00 N ATOM 639 CZ ARG A 44 2.896 -8.464 10.122 1.00 0.00 C ATOM 640 NH1 ARG A 44 3.186 -8.926 11.307 1.00 0.00 N ATOM 641 NH2 ARG A 44 1.649 -8.307 9.772 1.00 0.00 N ATOM 0 H ARG A 44 2.250 -4.376 9.813 1.00 0.00 H new ATOM 0 HA ARG A 44 5.036 -3.813 9.107 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.164 -5.966 9.295 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.524 -5.849 7.584 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.669 -6.621 7.869 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.958 -5.562 9.234 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.939 -8.118 9.751 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.950 -7.121 10.799 1.00 0.00 H new ATOM 0 HE ARG A 44 3.759 -8.403 8.298 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.160 -9.050 11.581 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.438 -9.163 11.959 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.421 -7.947 8.845 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.902 -8.544 10.425 1.00 0.00 H new ATOM 655 N THR A 45 4.505 -4.000 6.351 1.00 0.00 N ATOM 656 CA THR A 45 4.426 -3.411 4.984 1.00 0.00 C ATOM 657 C THR A 45 4.143 -4.512 3.963 1.00 0.00 C ATOM 658 O THR A 45 4.864 -5.485 3.872 1.00 0.00 O ATOM 659 CB THR A 45 5.803 -2.792 4.737 1.00 0.00 C ATOM 660 OG1 THR A 45 5.968 -1.656 5.574 1.00 0.00 O ATOM 661 CG2 THR A 45 5.921 -2.369 3.272 1.00 0.00 C ATOM 0 H THR A 45 5.037 -4.868 6.417 1.00 0.00 H new ATOM 0 HA THR A 45 3.629 -2.673 4.893 1.00 0.00 H new ATOM 0 HB THR A 45 6.576 -3.526 4.964 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.851 -1.260 5.418 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.903 -1.928 3.098 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.796 -3.241 2.630 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.148 -1.636 3.042 1.00 0.00 H new ATOM 669 N CYS A 46 3.092 -4.377 3.204 1.00 0.00 N ATOM 670 CA CYS A 46 2.768 -5.426 2.208 1.00 0.00 C ATOM 671 C CYS A 46 3.864 -5.513 1.145 1.00 0.00 C ATOM 672 O CYS A 46 4.415 -4.517 0.722 1.00 0.00 O ATOM 673 CB CYS A 46 1.436 -5.000 1.596 1.00 0.00 C ATOM 674 SG CYS A 46 0.095 -5.834 2.480 1.00 0.00 S ATOM 0 H CYS A 46 2.447 -3.587 3.232 1.00 0.00 H new ATOM 0 HA CYS A 46 2.701 -6.416 2.659 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.318 -3.919 1.664 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.408 -5.257 0.537 1.00 0.00 H new ATOM 679 N GLN A 47 4.194 -6.704 0.724 1.00 0.00 N ATOM 680 CA GLN A 47 5.265 -6.872 -0.300 1.00 0.00 C ATOM 681 C GLN A 47 4.681 -6.867 -1.718 1.00 0.00 C ATOM 682 O GLN A 47 3.537 -7.218 -1.930 1.00 0.00 O ATOM 683 CB GLN A 47 5.876 -8.238 -0.002 1.00 0.00 C ATOM 684 CG GLN A 47 7.038 -8.499 -0.962 1.00 0.00 C ATOM 685 CD GLN A 47 8.015 -7.322 -0.915 1.00 0.00 C ATOM 686 OE1 GLN A 47 7.758 -6.281 -1.487 1.00 0.00 O ATOM 687 NE2 GLN A 47 9.133 -7.443 -0.253 1.00 0.00 N ATOM 0 H GLN A 47 3.766 -7.572 1.047 1.00 0.00 H new ATOM 0 HA GLN A 47 5.992 -6.061 -0.256 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.228 -8.274 1.029 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.121 -9.017 -0.108 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.550 -9.421 -0.687 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.662 -8.633 -1.976 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.349 -8.316 0.227 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.791 -6.664 -0.216 1.00 0.00 H new ATOM 696 N SER A 48 5.470 -6.501 -2.693 1.00 0.00 N ATOM 697 CA SER A 48 4.974 -6.509 -4.099 1.00 0.00 C ATOM 698 C SER A 48 4.289 -7.844 -4.389 1.00 0.00 C ATOM 699 O SER A 48 4.740 -8.885 -3.953 1.00 0.00 O ATOM 700 CB SER A 48 6.228 -6.353 -4.959 1.00 0.00 C ATOM 701 OG SER A 48 6.657 -4.998 -4.922 1.00 0.00 O ATOM 0 H SER A 48 6.437 -6.197 -2.576 1.00 0.00 H new ATOM 0 HA SER A 48 4.248 -5.720 -4.295 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.019 -7.007 -4.591 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.018 -6.652 -5.986 1.00 0.00 H new ATOM 0 HG SER A 48 7.564 -4.952 -4.555 1.00 0.00 H new ATOM 707 N TRP A 49 3.214 -7.836 -5.128 1.00 0.00 N ATOM 708 CA TRP A 49 2.537 -9.124 -5.436 1.00 0.00 C ATOM 709 C TRP A 49 3.473 -9.964 -6.301 1.00 0.00 C ATOM 710 O TRP A 49 3.651 -11.147 -6.091 1.00 0.00 O ATOM 711 CB TRP A 49 1.279 -8.753 -6.223 1.00 0.00 C ATOM 712 CG TRP A 49 0.363 -7.911 -5.387 1.00 0.00 C ATOM 713 CD1 TRP A 49 0.340 -6.562 -5.371 1.00 0.00 C ATOM 714 CD2 TRP A 49 -0.675 -8.339 -4.463 1.00 0.00 C ATOM 715 NE1 TRP A 49 -0.645 -6.143 -4.500 1.00 0.00 N ATOM 716 CE2 TRP A 49 -1.296 -7.200 -3.916 1.00 0.00 C ATOM 717 CE3 TRP A 49 -1.128 -9.593 -4.056 1.00 0.00 C ATOM 718 CZ2 TRP A 49 -2.334 -7.301 -2.994 1.00 0.00 C ATOM 719 CZ3 TRP A 49 -2.174 -9.711 -3.127 1.00 0.00 C ATOM 720 CH2 TRP A 49 -2.778 -8.564 -2.595 1.00 0.00 C ATOM 0 H TRP A 49 2.780 -7.004 -5.527 1.00 0.00 H new ATOM 0 HA TRP A 49 2.286 -9.695 -4.542 1.00 0.00 H new ATOM 0 HB2 TRP A 49 1.556 -8.211 -7.127 1.00 0.00 H new ATOM 0 HB3 TRP A 49 0.761 -9.658 -6.540 1.00 0.00 H new ATOM 0 HD1 TRP A 49 0.987 -5.916 -5.946 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.863 -5.164 -4.313 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -0.669 -10.483 -4.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -2.792 -6.410 -2.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -2.514 -10.689 -2.821 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -3.582 -8.656 -1.880 1.00 0.00 H new ATOM 731 N SER A 50 4.078 -9.338 -7.271 1.00 0.00 N ATOM 732 CA SER A 50 5.024 -10.052 -8.174 1.00 0.00 C ATOM 733 C SER A 50 6.399 -10.229 -7.510 1.00 0.00 C ATOM 734 O SER A 50 7.396 -10.409 -8.180 1.00 0.00 O ATOM 735 CB SER A 50 5.135 -9.135 -9.387 1.00 0.00 C ATOM 736 OG SER A 50 5.877 -9.789 -10.408 1.00 0.00 O ATOM 0 H SER A 50 3.955 -8.347 -7.480 1.00 0.00 H new ATOM 0 HA SER A 50 4.679 -11.055 -8.426 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.141 -8.877 -9.753 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.624 -8.202 -9.108 1.00 0.00 H new ATOM 0 HG SER A 50 6.612 -10.296 -10.004 1.00 0.00 H new ATOM 742 N SER A 51 6.468 -10.177 -6.207 1.00 0.00 N ATOM 743 CA SER A 51 7.782 -10.339 -5.523 1.00 0.00 C ATOM 744 C SER A 51 8.219 -11.801 -5.570 1.00 0.00 C ATOM 745 O SER A 51 7.490 -12.689 -5.174 1.00 0.00 O ATOM 746 CB SER A 51 7.535 -9.897 -4.081 1.00 0.00 C ATOM 747 OG SER A 51 6.779 -10.895 -3.407 1.00 0.00 O ATOM 0 H SER A 51 5.671 -10.029 -5.587 1.00 0.00 H new ATOM 0 HA SER A 51 8.572 -9.755 -5.996 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.484 -9.736 -3.570 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.000 -8.947 -4.066 1.00 0.00 H new ATOM 0 HG SER A 51 6.622 -11.650 -4.011 1.00 0.00 H new ATOM 753 N MET A 52 9.400 -12.063 -6.057 1.00 0.00 N ATOM 754 CA MET A 52 9.868 -13.473 -6.130 1.00 0.00 C ATOM 755 C MET A 52 10.949 -13.728 -5.077 1.00 0.00 C ATOM 756 O MET A 52 11.663 -14.709 -5.131 1.00 0.00 O ATOM 757 CB MET A 52 10.430 -13.649 -7.548 1.00 0.00 C ATOM 758 CG MET A 52 9.466 -13.049 -8.582 1.00 0.00 C ATOM 759 SD MET A 52 8.421 -14.347 -9.263 1.00 0.00 S ATOM 760 CE MET A 52 7.589 -14.724 -7.711 1.00 0.00 C ATOM 0 H MET A 52 10.057 -11.365 -6.406 1.00 0.00 H new ATOM 0 HA MET A 52 9.063 -14.181 -5.932 1.00 0.00 H new ATOM 0 HB2 MET A 52 11.403 -13.164 -7.624 1.00 0.00 H new ATOM 0 HB3 MET A 52 10.585 -14.708 -7.756 1.00 0.00 H new ATOM 0 HG2 MET A 52 8.850 -12.280 -8.116 1.00 0.00 H new ATOM 0 HG3 MET A 52 10.029 -12.566 -9.381 1.00 0.00 H new ATOM 0 HE1 MET A 52 6.771 -15.420 -7.896 1.00 0.00 H new ATOM 0 HE2 MET A 52 8.299 -15.175 -7.018 1.00 0.00 H new ATOM 0 HE3 MET A 52 7.193 -13.805 -7.278 1.00 0.00 H new ATOM 770 N THR A 53 11.067 -12.857 -4.112 1.00 0.00 N ATOM 771 CA THR A 53 12.095 -13.062 -3.051 1.00 0.00 C ATOM 772 C THR A 53 11.474 -13.777 -1.843 1.00 0.00 C ATOM 773 O THR A 53 11.834 -14.898 -1.545 1.00 0.00 O ATOM 774 CB THR A 53 12.576 -11.660 -2.672 1.00 0.00 C ATOM 775 OG1 THR A 53 11.685 -10.692 -3.210 1.00 0.00 O ATOM 776 CG2 THR A 53 13.980 -11.432 -3.231 1.00 0.00 C ATOM 0 H THR A 53 10.499 -12.016 -4.012 1.00 0.00 H new ATOM 0 HA THR A 53 12.921 -13.685 -3.394 1.00 0.00 H new ATOM 0 HB THR A 53 12.601 -11.566 -1.586 1.00 0.00 H new ATOM 0 HG1 THR A 53 11.992 -9.794 -2.966 1.00 0.00 H new ATOM 0 HG21 THR A 53 14.322 -10.433 -2.960 1.00 0.00 H new ATOM 0 HG22 THR A 53 14.662 -12.174 -2.815 1.00 0.00 H new ATOM 0 HG23 THR A 53 13.959 -11.527 -4.317 1.00 0.00 H new ATOM 784 N PRO A 54 10.554 -13.113 -1.186 1.00 0.00 N ATOM 785 CA PRO A 54 9.888 -13.720 -0.007 1.00 0.00 C ATOM 786 C PRO A 54 8.885 -14.787 -0.461 1.00 0.00 C ATOM 787 O PRO A 54 9.230 -15.936 -0.652 1.00 0.00 O ATOM 788 CB PRO A 54 9.171 -12.542 0.647 1.00 0.00 C ATOM 789 CG PRO A 54 8.946 -11.563 -0.461 1.00 0.00 C ATOM 790 CD PRO A 54 10.054 -11.759 -1.464 1.00 0.00 C ATOM 0 HA PRO A 54 10.580 -14.217 0.672 1.00 0.00 H new ATOM 0 HB2 PRO A 54 8.228 -12.854 1.096 1.00 0.00 H new ATOM 0 HB3 PRO A 54 9.774 -12.105 1.443 1.00 0.00 H new ATOM 0 HG2 PRO A 54 7.974 -11.726 -0.926 1.00 0.00 H new ATOM 0 HG3 PRO A 54 8.950 -10.542 -0.079 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.686 -11.672 -2.486 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.838 -11.012 -1.343 1.00 0.00 H new ATOM 798 N HIS A 55 7.644 -14.415 -0.638 1.00 0.00 N ATOM 799 CA HIS A 55 6.620 -15.411 -1.084 1.00 0.00 C ATOM 800 C HIS A 55 6.547 -15.432 -2.615 1.00 0.00 C ATOM 801 O HIS A 55 6.261 -14.433 -3.244 1.00 0.00 O ATOM 802 CB HIS A 55 5.288 -14.929 -0.488 1.00 0.00 C ATOM 803 CG HIS A 55 5.523 -14.345 0.880 1.00 0.00 C ATOM 804 ND1 HIS A 55 5.958 -13.043 1.056 1.00 0.00 N ATOM 805 CD2 HIS A 55 5.420 -14.880 2.140 1.00 0.00 C ATOM 806 CE1 HIS A 55 6.107 -12.839 2.372 1.00 0.00 C ATOM 807 NE2 HIS A 55 5.790 -13.925 3.083 1.00 0.00 N ATOM 0 H HIS A 55 7.294 -13.468 -0.494 1.00 0.00 H new ATOM 0 HA HIS A 55 6.861 -16.422 -0.756 1.00 0.00 H new ATOM 0 HB2 HIS A 55 4.837 -14.181 -1.140 1.00 0.00 H new ATOM 0 HB3 HIS A 55 4.586 -15.760 -0.423 1.00 0.00 H new ATOM 0 HD2 HIS A 55 5.101 -15.887 2.365 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.443 -11.909 2.806 1.00 0.00 H new ATOM 0 HE2 HIS A 55 5.814 -14.031 4.097 1.00 0.00 H new ATOM 815 N TRP A 56 6.809 -16.560 -3.219 1.00 0.00 N ATOM 816 CA TRP A 56 6.761 -16.637 -4.709 1.00 0.00 C ATOM 817 C TRP A 56 5.401 -17.155 -5.181 1.00 0.00 C ATOM 818 O TRP A 56 4.811 -18.025 -4.572 1.00 0.00 O ATOM 819 CB TRP A 56 7.862 -17.628 -5.091 1.00 0.00 C ATOM 820 CG TRP A 56 8.217 -17.451 -6.533 1.00 0.00 C ATOM 821 CD1 TRP A 56 7.357 -17.541 -7.568 1.00 0.00 C ATOM 822 CD2 TRP A 56 9.506 -17.127 -7.113 1.00 0.00 C ATOM 823 NE1 TRP A 56 8.036 -17.316 -8.743 1.00 0.00 N ATOM 824 CE2 TRP A 56 9.366 -17.055 -8.518 1.00 0.00 C ATOM 825 CE3 TRP A 56 10.765 -16.896 -6.563 1.00 0.00 C ATOM 826 CZ2 TRP A 56 10.444 -16.763 -9.346 1.00 0.00 C ATOM 827 CZ3 TRP A 56 11.852 -16.597 -7.389 1.00 0.00 C ATOM 828 CH2 TRP A 56 11.696 -16.531 -8.780 1.00 0.00 C ATOM 0 H TRP A 56 7.054 -17.430 -2.747 1.00 0.00 H new ATOM 0 HA TRP A 56 6.904 -15.659 -5.169 1.00 0.00 H new ATOM 0 HB2 TRP A 56 8.741 -17.468 -4.467 1.00 0.00 H new ATOM 0 HB3 TRP A 56 7.525 -18.649 -4.912 1.00 0.00 H new ATOM 0 HD1 TRP A 56 6.302 -17.756 -7.487 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.605 -17.340 -9.667 1.00 0.00 H new ATOM 0 HE3 TRP A 56 10.902 -16.948 -5.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 10.312 -16.716 -10.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 12.822 -16.415 -6.951 1.00 0.00 H new ATOM 0 HH2 TRP A 56 12.542 -16.301 -9.411 1.00 0.00 H new ATOM 839 N HIS A 57 4.905 -16.634 -6.270 1.00 0.00 N ATOM 840 CA HIS A 57 3.591 -17.105 -6.792 1.00 0.00 C ATOM 841 C HIS A 57 3.367 -16.581 -8.216 1.00 0.00 C ATOM 842 O HIS A 57 4.077 -15.716 -8.689 1.00 0.00 O ATOM 843 CB HIS A 57 2.547 -16.546 -5.813 1.00 0.00 C ATOM 844 CG HIS A 57 2.160 -15.140 -6.199 1.00 0.00 C ATOM 845 ND1 HIS A 57 3.011 -14.302 -6.903 1.00 0.00 N ATOM 846 CD2 HIS A 57 1.011 -14.418 -5.991 1.00 0.00 C ATOM 847 CE1 HIS A 57 2.366 -13.137 -7.093 1.00 0.00 C ATOM 848 NE2 HIS A 57 1.143 -13.154 -6.557 1.00 0.00 N ATOM 0 H HIS A 57 5.353 -15.902 -6.821 1.00 0.00 H new ATOM 0 HA HIS A 57 3.531 -18.192 -6.855 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.664 -17.185 -5.810 1.00 0.00 H new ATOM 0 HB3 HIS A 57 2.949 -16.554 -4.800 1.00 0.00 H new ATOM 0 HD1 HIS A 57 3.954 -14.528 -7.219 1.00 0.00 H new ATOM 0 HD2 HIS A 57 0.137 -14.777 -5.467 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.786 -12.290 -7.616 1.00 0.00 H new ATOM 856 N GLN A 58 2.385 -17.099 -8.900 1.00 0.00 N ATOM 857 CA GLN A 58 2.116 -16.632 -10.290 1.00 0.00 C ATOM 858 C GLN A 58 0.618 -16.381 -10.476 1.00 0.00 C ATOM 859 O GLN A 58 0.092 -16.474 -11.568 1.00 0.00 O ATOM 860 CB GLN A 58 2.586 -17.776 -11.188 1.00 0.00 C ATOM 861 CG GLN A 58 1.767 -19.032 -10.885 1.00 0.00 C ATOM 862 CD GLN A 58 1.406 -19.732 -12.196 1.00 0.00 C ATOM 863 OE1 GLN A 58 0.287 -20.168 -12.377 1.00 0.00 O ATOM 864 NE2 GLN A 58 2.314 -19.858 -13.124 1.00 0.00 N ATOM 0 H GLN A 58 1.757 -17.826 -8.557 1.00 0.00 H new ATOM 0 HA GLN A 58 2.627 -15.698 -10.522 1.00 0.00 H new ATOM 0 HB2 GLN A 58 2.473 -17.499 -12.236 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.645 -17.971 -11.022 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.337 -19.706 -10.245 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.861 -18.766 -10.341 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.254 -19.492 -12.971 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.084 -20.323 -14.002 1.00 0.00 H new ATOM 873 N ARG A 59 -0.073 -16.065 -9.416 1.00 0.00 N ATOM 874 CA ARG A 59 -1.539 -15.810 -9.525 1.00 0.00 C ATOM 875 C ARG A 59 -1.905 -14.521 -8.784 1.00 0.00 C ATOM 876 O ARG A 59 -2.767 -14.510 -7.928 1.00 0.00 O ATOM 877 CB ARG A 59 -2.199 -17.019 -8.860 1.00 0.00 C ATOM 878 CG ARG A 59 -1.478 -17.335 -7.548 1.00 0.00 C ATOM 879 CD ARG A 59 -2.253 -18.408 -6.782 1.00 0.00 C ATOM 880 NE ARG A 59 -2.485 -17.823 -5.432 1.00 0.00 N ATOM 881 CZ ARG A 59 -3.685 -17.452 -5.080 1.00 0.00 C ATOM 882 NH1 ARG A 59 -4.651 -18.328 -5.033 1.00 0.00 N ATOM 883 NH2 ARG A 59 -3.918 -16.204 -4.775 1.00 0.00 N ATOM 0 H ARG A 59 0.314 -15.972 -8.477 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.864 -15.686 -10.558 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.252 -16.813 -8.668 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.159 -17.881 -9.526 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.465 -17.680 -7.752 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.391 -16.433 -6.943 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.195 -18.644 -7.277 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.685 -19.336 -6.718 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.706 -17.713 -4.783 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.468 -19.303 -5.271 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.589 -18.038 -4.758 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.162 -15.520 -4.812 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.856 -15.913 -4.500 1.00 0.00 H new ATOM 897 N THR A 60 -1.254 -13.436 -9.102 1.00 0.00 N ATOM 898 CA THR A 60 -1.564 -12.152 -8.410 1.00 0.00 C ATOM 899 C THR A 60 -2.755 -11.465 -9.048 1.00 0.00 C ATOM 900 O THR A 60 -3.237 -11.852 -10.094 1.00 0.00 O ATOM 901 CB THR A 60 -0.338 -11.267 -8.616 1.00 0.00 C ATOM 902 OG1 THR A 60 -0.608 -9.968 -8.107 1.00 0.00 O ATOM 903 CG2 THR A 60 -0.024 -11.172 -10.110 1.00 0.00 C ATOM 0 H THR A 60 -0.522 -13.382 -9.810 1.00 0.00 H new ATOM 0 HA THR A 60 -1.796 -12.329 -7.360 1.00 0.00 H new ATOM 0 HB THR A 60 0.516 -11.696 -8.092 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.006 -9.322 -8.516 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.852 -10.540 -10.258 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.177 -12.168 -10.504 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.876 -10.740 -10.634 1.00 0.00 H new ATOM 911 N THR A 61 -3.197 -10.412 -8.438 1.00 0.00 N ATOM 912 CA THR A 61 -4.318 -9.642 -9.012 1.00 0.00 C ATOM 913 C THR A 61 -3.759 -8.718 -10.089 1.00 0.00 C ATOM 914 O THR A 61 -4.489 -8.149 -10.876 1.00 0.00 O ATOM 915 CB THR A 61 -4.902 -8.847 -7.851 1.00 0.00 C ATOM 916 OG1 THR A 61 -3.921 -8.715 -6.830 1.00 0.00 O ATOM 917 CG2 THR A 61 -6.125 -9.582 -7.306 1.00 0.00 C ATOM 0 H THR A 61 -2.826 -10.050 -7.560 1.00 0.00 H new ATOM 0 HA THR A 61 -5.084 -10.267 -9.471 1.00 0.00 H new ATOM 0 HB THR A 61 -5.199 -7.855 -8.192 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.035 -9.432 -6.172 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.548 -9.018 -6.475 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.871 -9.681 -8.094 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.830 -10.572 -6.960 1.00 0.00 H new ATOM 925 N GLU A 62 -2.455 -8.578 -10.144 1.00 0.00 N ATOM 926 CA GLU A 62 -1.860 -7.710 -11.181 1.00 0.00 C ATOM 927 C GLU A 62 -2.244 -8.278 -12.533 1.00 0.00 C ATOM 928 O GLU A 62 -2.322 -7.582 -13.526 1.00 0.00 O ATOM 929 CB GLU A 62 -0.348 -7.786 -10.962 1.00 0.00 C ATOM 930 CG GLU A 62 0.338 -6.677 -11.761 1.00 0.00 C ATOM 931 CD GLU A 62 1.196 -7.298 -12.865 1.00 0.00 C ATOM 932 OE1 GLU A 62 0.993 -8.464 -13.160 1.00 0.00 O ATOM 933 OE2 GLU A 62 2.040 -6.596 -13.398 1.00 0.00 O ATOM 0 H GLU A 62 -1.790 -9.029 -9.515 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.200 -6.675 -11.133 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.117 -7.681 -9.902 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.027 -8.760 -11.275 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.409 -6.013 -12.196 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.959 -6.070 -11.102 1.00 0.00 H new ATOM 940 N TYR A 63 -2.511 -9.551 -12.561 1.00 0.00 N ATOM 941 CA TYR A 63 -2.921 -10.191 -13.826 1.00 0.00 C ATOM 942 C TYR A 63 -4.444 -10.116 -13.956 1.00 0.00 C ATOM 943 O TYR A 63 -5.019 -10.565 -14.928 1.00 0.00 O ATOM 944 CB TYR A 63 -2.455 -11.641 -13.713 1.00 0.00 C ATOM 945 CG TYR A 63 -1.184 -11.826 -14.506 1.00 0.00 C ATOM 946 CD1 TYR A 63 -1.251 -12.163 -15.863 1.00 0.00 C ATOM 947 CD2 TYR A 63 0.059 -11.661 -13.885 1.00 0.00 C ATOM 948 CE1 TYR A 63 -0.073 -12.336 -16.599 1.00 0.00 C ATOM 949 CE2 TYR A 63 1.238 -11.834 -14.622 1.00 0.00 C ATOM 950 CZ TYR A 63 1.171 -12.172 -15.979 1.00 0.00 C ATOM 951 OH TYR A 63 2.333 -12.343 -16.705 1.00 0.00 O ATOM 0 H TYR A 63 -2.461 -10.174 -11.755 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.493 -9.707 -14.704 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.284 -11.899 -12.668 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.229 -12.313 -14.085 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -2.211 -12.289 -16.342 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.110 -11.400 -12.838 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -0.124 -12.596 -17.646 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.198 -11.707 -14.144 1.00 0.00 H new ATOM 0 HH TYR A 63 3.107 -12.191 -16.124 1.00 0.00 H new ATOM 961 N TYR A 64 -5.103 -9.543 -12.979 1.00 0.00 N ATOM 962 CA TYR A 64 -6.584 -9.431 -13.043 1.00 0.00 C ATOM 963 C TYR A 64 -6.975 -7.968 -13.240 1.00 0.00 C ATOM 964 O TYR A 64 -6.430 -7.090 -12.601 1.00 0.00 O ATOM 965 CB TYR A 64 -7.081 -9.943 -11.691 1.00 0.00 C ATOM 966 CG TYR A 64 -7.265 -11.441 -11.752 1.00 0.00 C ATOM 967 CD1 TYR A 64 -6.171 -12.271 -12.025 1.00 0.00 C ATOM 968 CD2 TYR A 64 -8.530 -12.000 -11.534 1.00 0.00 C ATOM 969 CE1 TYR A 64 -6.342 -13.659 -12.079 1.00 0.00 C ATOM 970 CE2 TYR A 64 -8.701 -13.388 -11.588 1.00 0.00 C ATOM 971 CZ TYR A 64 -7.607 -14.218 -11.860 1.00 0.00 C ATOM 972 OH TYR A 64 -7.776 -15.587 -11.912 1.00 0.00 O ATOM 0 H TYR A 64 -4.674 -9.149 -12.141 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.013 -9.998 -13.869 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.367 -9.686 -10.909 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -8.024 -9.461 -11.433 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.195 -11.840 -12.194 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -9.374 -11.360 -11.324 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -5.498 -14.299 -12.290 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -9.677 -13.819 -11.420 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.714 -15.808 -11.736 1.00 0.00 H new ATOM 982 N PRO A 65 -7.903 -7.751 -14.124 1.00 0.00 N ATOM 983 CA PRO A 65 -8.361 -6.374 -14.409 1.00 0.00 C ATOM 984 C PRO A 65 -9.210 -5.847 -13.248 1.00 0.00 C ATOM 985 O PRO A 65 -9.593 -4.694 -13.219 1.00 0.00 O ATOM 986 CB PRO A 65 -9.196 -6.528 -15.677 1.00 0.00 C ATOM 987 CG PRO A 65 -9.656 -7.952 -15.666 1.00 0.00 C ATOM 988 CD PRO A 65 -8.608 -8.750 -14.933 1.00 0.00 C ATOM 0 HA PRO A 65 -7.544 -5.664 -14.533 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -10.041 -5.840 -15.679 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -8.606 -6.311 -16.567 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -10.623 -8.041 -15.172 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.782 -8.324 -16.683 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.058 -9.523 -14.310 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.932 -9.252 -15.625 1.00 0.00 H new ATOM 996 N ASN A 66 -9.505 -6.683 -12.290 1.00 0.00 N ATOM 997 CA ASN A 66 -10.326 -6.230 -11.131 1.00 0.00 C ATOM 998 C ASN A 66 -9.422 -5.908 -9.939 1.00 0.00 C ATOM 999 O ASN A 66 -9.837 -5.286 -8.982 1.00 0.00 O ATOM 1000 CB ASN A 66 -11.243 -7.409 -10.805 1.00 0.00 C ATOM 1001 CG ASN A 66 -12.349 -6.945 -9.856 1.00 0.00 C ATOM 1002 OD1 ASN A 66 -12.654 -7.613 -8.888 1.00 0.00 O ATOM 1003 ND2 ASN A 66 -12.966 -5.820 -10.092 1.00 0.00 N ATOM 0 H ASN A 66 -9.213 -7.660 -12.260 1.00 0.00 H new ATOM 0 HA ASN A 66 -10.892 -5.326 -11.356 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.678 -7.809 -11.721 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.669 -8.214 -10.346 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.704 -5.502 -9.464 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -12.710 -5.259 -10.904 1.00 0.00 H new ATOM 1010 N GLY A 67 -8.187 -6.326 -9.991 1.00 0.00 N ATOM 1011 CA GLY A 67 -7.257 -6.043 -8.866 1.00 0.00 C ATOM 1012 C GLY A 67 -5.933 -5.530 -9.425 1.00 0.00 C ATOM 1013 O GLY A 67 -4.990 -6.276 -9.592 1.00 0.00 O ATOM 0 H GLY A 67 -7.783 -6.852 -10.766 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.693 -5.303 -8.195 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.092 -6.947 -8.279 1.00 0.00 H new ATOM 1017 N GLY A 68 -5.846 -4.259 -9.697 1.00 0.00 N ATOM 1018 CA GLY A 68 -4.578 -3.700 -10.223 1.00 0.00 C ATOM 1019 C GLY A 68 -3.676 -3.423 -9.034 1.00 0.00 C ATOM 1020 O GLY A 68 -3.195 -2.325 -8.841 1.00 0.00 O ATOM 0 H GLY A 68 -6.602 -3.584 -9.576 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.104 -4.402 -10.909 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.766 -2.784 -10.784 1.00 0.00 H new ATOM 1024 N LEU A 69 -3.455 -4.419 -8.225 1.00 0.00 N ATOM 1025 CA LEU A 69 -2.592 -4.231 -7.027 1.00 0.00 C ATOM 1026 C LEU A 69 -1.154 -4.027 -7.480 1.00 0.00 C ATOM 1027 O LEU A 69 -0.263 -4.784 -7.157 1.00 0.00 O ATOM 1028 CB LEU A 69 -2.745 -5.511 -6.198 1.00 0.00 C ATOM 1029 CG LEU A 69 -4.186 -6.031 -6.271 1.00 0.00 C ATOM 1030 CD1 LEU A 69 -4.458 -6.936 -5.068 1.00 0.00 C ATOM 1031 CD2 LEU A 69 -5.164 -4.855 -6.249 1.00 0.00 C ATOM 0 H LEU A 69 -3.836 -5.358 -8.342 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.872 -3.359 -6.435 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.058 -6.273 -6.566 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.476 -5.313 -5.160 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.319 -6.593 -7.195 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.482 -7.308 -5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.765 -7.778 -5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.321 -6.369 -4.147 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.186 -5.231 -6.301 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.032 -4.289 -5.327 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.972 -4.206 -7.103 1.00 0.00 H new ATOM 1043 N THR A 70 -0.944 -3.001 -8.243 1.00 0.00 N ATOM 1044 CA THR A 70 0.423 -2.702 -8.764 1.00 0.00 C ATOM 1045 C THR A 70 1.444 -2.680 -7.624 1.00 0.00 C ATOM 1046 O THR A 70 1.122 -2.371 -6.494 1.00 0.00 O ATOM 1047 CB THR A 70 0.307 -1.317 -9.402 1.00 0.00 C ATOM 1048 OG1 THR A 70 -0.438 -1.413 -10.609 1.00 0.00 O ATOM 1049 CG2 THR A 70 1.704 -0.774 -9.704 1.00 0.00 C ATOM 0 H THR A 70 -1.667 -2.344 -8.536 1.00 0.00 H new ATOM 0 HA THR A 70 0.763 -3.457 -9.473 1.00 0.00 H new ATOM 0 HB THR A 70 -0.202 -0.642 -8.714 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.514 -0.526 -11.018 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.620 0.213 -10.159 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.274 -0.700 -8.778 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.216 -1.448 -10.391 1.00 0.00 H new ATOM 1057 N ARG A 71 2.675 -3.000 -7.916 1.00 0.00 N ATOM 1058 CA ARG A 71 3.721 -2.992 -6.854 1.00 0.00 C ATOM 1059 C ARG A 71 3.181 -3.630 -5.574 1.00 0.00 C ATOM 1060 O ARG A 71 2.229 -4.375 -5.598 1.00 0.00 O ATOM 1061 CB ARG A 71 4.032 -1.514 -6.626 1.00 0.00 C ATOM 1062 CG ARG A 71 4.764 -0.956 -7.845 1.00 0.00 C ATOM 1063 CD ARG A 71 6.040 -0.250 -7.387 1.00 0.00 C ATOM 1064 NE ARG A 71 7.128 -1.244 -7.605 1.00 0.00 N ATOM 1065 CZ ARG A 71 7.172 -2.332 -6.884 1.00 0.00 C ATOM 1066 NH1 ARG A 71 7.401 -2.256 -5.601 1.00 0.00 N ATOM 1067 NH2 ARG A 71 6.986 -3.495 -7.446 1.00 0.00 N ATOM 0 H ARG A 71 3.002 -3.267 -8.845 1.00 0.00 H new ATOM 0 HA ARG A 71 4.607 -3.559 -7.139 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.109 -0.959 -6.456 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.645 -1.394 -5.733 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.009 -1.762 -8.537 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.121 -0.259 -8.382 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.216 0.660 -7.961 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.976 0.042 -6.339 1.00 0.00 H new ATOM 0 HE ARG A 71 7.838 -1.075 -8.317 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.546 -1.347 -5.162 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.435 -3.106 -5.038 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.806 -3.554 -8.448 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.020 -4.345 -6.883 1.00 0.00 H new ATOM 1081 N ASN A 72 3.780 -3.338 -4.455 1.00 0.00 N ATOM 1082 CA ASN A 72 3.301 -3.926 -3.170 1.00 0.00 C ATOM 1083 C ASN A 72 2.114 -3.129 -2.617 1.00 0.00 C ATOM 1084 O ASN A 72 1.887 -3.090 -1.424 1.00 0.00 O ATOM 1085 CB ASN A 72 4.506 -3.816 -2.236 1.00 0.00 C ATOM 1086 CG ASN A 72 4.713 -2.352 -1.844 1.00 0.00 C ATOM 1087 OD1 ASN A 72 3.855 -1.784 -1.046 1.00 0.00 O flip ATOM 1088 ND2 ASN A 72 5.661 -1.722 -2.269 1.00 0.00 N flip ATOM 0 H ASN A 72 4.584 -2.715 -4.372 1.00 0.00 H new ATOM 0 HA ASN A 72 2.952 -4.952 -3.285 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.346 -4.423 -1.345 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.398 -4.202 -2.729 1.00 0.00 H new ATOM 0 HD21 ASN A 72 6.332 -2.169 -2.894 1.00 0.00 H new ATOM 0 HD22 ASN A 72 5.786 -0.746 -2.001 1.00 0.00 H new ATOM 1095 N TYR A 73 1.350 -2.498 -3.465 1.00 0.00 N ATOM 1096 CA TYR A 73 0.188 -1.708 -2.963 1.00 0.00 C ATOM 1097 C TYR A 73 -0.821 -2.627 -2.273 1.00 0.00 C ATOM 1098 O TYR A 73 -1.079 -3.730 -2.714 1.00 0.00 O ATOM 1099 CB TYR A 73 -0.437 -1.075 -4.210 1.00 0.00 C ATOM 1100 CG TYR A 73 0.578 -0.211 -4.926 1.00 0.00 C ATOM 1101 CD1 TYR A 73 1.782 0.139 -4.300 1.00 0.00 C ATOM 1102 CD2 TYR A 73 0.310 0.243 -6.223 1.00 0.00 C ATOM 1103 CE1 TYR A 73 2.713 0.941 -4.970 1.00 0.00 C ATOM 1104 CE2 TYR A 73 1.241 1.045 -6.893 1.00 0.00 C ATOM 1105 CZ TYR A 73 2.443 1.394 -6.267 1.00 0.00 C ATOM 1106 OH TYR A 73 3.360 2.186 -6.927 1.00 0.00 O ATOM 0 H TYR A 73 1.477 -2.494 -4.477 1.00 0.00 H new ATOM 0 HA TYR A 73 0.490 -0.958 -2.232 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.798 -1.855 -4.880 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.301 -0.474 -3.927 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.992 -0.210 -3.300 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.617 -0.026 -6.707 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.640 1.211 -4.486 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.032 1.395 -7.893 1.00 0.00 H new ATOM 0 HH TYR A 73 3.017 2.411 -7.817 1.00 0.00 H new ATOM 1116 N CYS A 74 -1.399 -2.173 -1.199 1.00 0.00 N ATOM 1117 CA CYS A 74 -2.402 -3.006 -0.479 1.00 0.00 C ATOM 1118 C CYS A 74 -3.777 -2.811 -1.118 1.00 0.00 C ATOM 1119 O CYS A 74 -4.190 -1.704 -1.401 1.00 0.00 O ATOM 1120 CB CYS A 74 -2.393 -2.489 0.962 1.00 0.00 C ATOM 1121 SG CYS A 74 -3.851 -3.111 1.839 1.00 0.00 S ATOM 0 H CYS A 74 -1.220 -1.258 -0.786 1.00 0.00 H new ATOM 0 HA CYS A 74 -2.173 -4.071 -0.520 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.485 -2.813 1.470 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -2.390 -1.399 0.968 1.00 0.00 H new ATOM 1126 N ARG A 75 -4.484 -3.877 -1.357 1.00 0.00 N ATOM 1127 CA ARG A 75 -5.825 -3.746 -1.989 1.00 0.00 C ATOM 1128 C ARG A 75 -6.797 -4.769 -1.394 1.00 0.00 C ATOM 1129 O ARG A 75 -6.446 -5.540 -0.523 1.00 0.00 O ATOM 1130 CB ARG A 75 -5.580 -4.032 -3.470 1.00 0.00 C ATOM 1131 CG ARG A 75 -5.717 -2.738 -4.276 1.00 0.00 C ATOM 1132 CD ARG A 75 -4.335 -2.120 -4.497 1.00 0.00 C ATOM 1133 NE ARG A 75 -4.416 -1.471 -5.836 1.00 0.00 N ATOM 1134 CZ ARG A 75 -4.976 -0.300 -5.962 1.00 0.00 C ATOM 1135 NH1 ARG A 75 -4.271 0.783 -5.784 1.00 0.00 N ATOM 1136 NH2 ARG A 75 -6.242 -0.213 -6.267 1.00 0.00 N ATOM 0 H ARG A 75 -4.193 -4.831 -1.143 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.269 -2.764 -1.827 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.585 -4.454 -3.609 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.294 -4.773 -3.830 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -6.192 -2.944 -5.235 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.360 -2.035 -3.747 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.098 -1.394 -3.719 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.554 -2.880 -4.473 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.033 -1.943 -6.655 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.281 0.714 -5.546 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.709 1.699 -5.883 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.792 -1.060 -6.407 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.681 0.702 -6.366 1.00 0.00 H new ATOM 1150 N ASN A 76 -8.017 -4.781 -1.858 1.00 0.00 N ATOM 1151 CA ASN A 76 -9.012 -5.752 -1.318 1.00 0.00 C ATOM 1152 C ASN A 76 -9.686 -6.510 -2.464 1.00 0.00 C ATOM 1153 O ASN A 76 -10.806 -6.215 -2.830 1.00 0.00 O ATOM 1154 CB ASN A 76 -10.036 -4.897 -0.572 1.00 0.00 C ATOM 1155 CG ASN A 76 -11.151 -5.794 -0.032 1.00 0.00 C ATOM 1156 OD1 ASN A 76 -11.114 -6.997 -0.203 1.00 0.00 O ATOM 1157 ND2 ASN A 76 -12.147 -5.258 0.617 1.00 0.00 N ATOM 0 H ASN A 76 -8.368 -4.161 -2.588 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.550 -6.497 -0.669 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -9.553 -4.365 0.248 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.452 -4.143 -1.240 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.895 -5.848 0.981 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.178 -4.249 0.760 1.00 0.00 H new ATOM 1164 N PRO A 77 -8.974 -7.467 -2.992 1.00 0.00 N ATOM 1165 CA PRO A 77 -9.503 -8.284 -4.111 1.00 0.00 C ATOM 1166 C PRO A 77 -10.536 -9.300 -3.603 1.00 0.00 C ATOM 1167 O PRO A 77 -11.021 -10.126 -4.350 1.00 0.00 O ATOM 1168 CB PRO A 77 -8.265 -8.994 -4.650 1.00 0.00 C ATOM 1169 CG PRO A 77 -7.307 -9.042 -3.500 1.00 0.00 C ATOM 1170 CD PRO A 77 -7.620 -7.871 -2.602 1.00 0.00 C ATOM 0 HA PRO A 77 -10.015 -7.689 -4.867 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.508 -9.997 -5.002 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -7.838 -8.454 -5.495 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.408 -9.981 -2.955 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.278 -8.989 -3.855 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.577 -8.154 -1.550 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.906 -7.059 -2.744 1.00 0.00 H new ATOM 1178 N ASP A 78 -10.875 -9.248 -2.342 1.00 0.00 N ATOM 1179 CA ASP A 78 -11.874 -10.215 -1.798 1.00 0.00 C ATOM 1180 C ASP A 78 -13.113 -9.470 -1.292 1.00 0.00 C ATOM 1181 O ASP A 78 -14.060 -10.069 -0.822 1.00 0.00 O ATOM 1182 CB ASP A 78 -11.162 -10.912 -0.638 1.00 0.00 C ATOM 1183 CG ASP A 78 -11.584 -12.382 -0.586 1.00 0.00 C ATOM 1184 OD1 ASP A 78 -12.396 -12.775 -1.408 1.00 0.00 O ATOM 1185 OD2 ASP A 78 -11.089 -13.090 0.276 1.00 0.00 O ATOM 0 H ASP A 78 -10.505 -8.580 -1.666 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.214 -10.923 -2.554 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.082 -10.837 -0.763 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.408 -10.419 0.302 1.00 0.00 H new ATOM 1190 N ALA A 79 -13.114 -8.167 -1.380 1.00 0.00 N ATOM 1191 CA ALA A 79 -14.292 -7.389 -0.898 1.00 0.00 C ATOM 1192 C ALA A 79 -14.575 -7.716 0.571 1.00 0.00 C ATOM 1193 O ALA A 79 -15.673 -7.537 1.058 1.00 0.00 O ATOM 1194 CB ALA A 79 -15.455 -7.840 -1.782 1.00 0.00 C ATOM 0 H ALA A 79 -12.352 -7.608 -1.764 1.00 0.00 H new ATOM 0 HA ALA A 79 -14.129 -6.313 -0.959 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -16.362 -7.311 -1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -15.227 -7.618 -2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -15.607 -8.913 -1.664 1.00 0.00 H new ATOM 1200 N GLU A 80 -13.590 -8.198 1.278 1.00 0.00 N ATOM 1201 CA GLU A 80 -13.795 -8.543 2.715 1.00 0.00 C ATOM 1202 C GLU A 80 -13.853 -7.270 3.566 1.00 0.00 C ATOM 1203 O GLU A 80 -14.016 -6.179 3.057 1.00 0.00 O ATOM 1204 CB GLU A 80 -12.576 -9.384 3.090 1.00 0.00 C ATOM 1205 CG GLU A 80 -12.981 -10.447 4.113 1.00 0.00 C ATOM 1206 CD GLU A 80 -13.071 -11.811 3.426 1.00 0.00 C ATOM 1207 OE1 GLU A 80 -12.029 -12.371 3.127 1.00 0.00 O ATOM 1208 OE2 GLU A 80 -14.179 -12.271 3.209 1.00 0.00 O ATOM 0 H GLU A 80 -12.649 -8.369 0.922 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.731 -9.076 2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -12.162 -9.860 2.201 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.795 -8.746 3.503 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.252 -10.484 4.923 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.941 -10.189 4.560 1.00 0.00 H new ATOM 1215 N ILE A 81 -13.721 -7.402 4.859 1.00 0.00 N ATOM 1216 CA ILE A 81 -13.770 -6.199 5.741 1.00 0.00 C ATOM 1217 C ILE A 81 -12.877 -5.093 5.177 1.00 0.00 C ATOM 1218 O ILE A 81 -13.207 -3.924 5.234 1.00 0.00 O ATOM 1219 CB ILE A 81 -13.233 -6.668 7.093 1.00 0.00 C ATOM 1220 CG1 ILE A 81 -11.872 -7.332 6.902 1.00 0.00 C ATOM 1221 CG2 ILE A 81 -14.194 -7.672 7.713 1.00 0.00 C ATOM 1222 CD1 ILE A 81 -10.776 -6.305 7.167 1.00 0.00 C ATOM 0 H ILE A 81 -13.582 -8.289 5.342 1.00 0.00 H new ATOM 0 HA ILE A 81 -14.779 -5.793 5.819 1.00 0.00 H new ATOM 0 HB ILE A 81 -13.133 -5.806 7.752 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.767 -8.178 7.581 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -11.783 -7.724 5.889 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -13.804 -8.002 8.676 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -15.167 -7.203 7.857 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -14.299 -8.531 7.051 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.800 -6.771 7.033 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.880 -5.474 6.470 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.864 -5.935 8.188 1.00 0.00 H new ATOM 1234 N SER A 82 -11.745 -5.454 4.641 1.00 0.00 N ATOM 1235 CA SER A 82 -10.823 -4.429 4.082 1.00 0.00 C ATOM 1236 C SER A 82 -9.799 -5.094 3.158 1.00 0.00 C ATOM 1237 O SER A 82 -9.865 -6.281 2.909 1.00 0.00 O ATOM 1238 CB SER A 82 -10.132 -3.821 5.301 1.00 0.00 C ATOM 1239 OG SER A 82 -8.832 -4.383 5.433 1.00 0.00 O ATOM 0 H SER A 82 -11.418 -6.417 4.566 1.00 0.00 H new ATOM 0 HA SER A 82 -11.343 -3.676 3.490 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.064 -2.739 5.192 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.718 -4.015 6.200 1.00 0.00 H new ATOM 0 HG SER A 82 -8.447 -4.119 6.295 1.00 0.00 H new ATOM 1245 N PRO A 83 -8.883 -4.299 2.680 1.00 0.00 N ATOM 1246 CA PRO A 83 -7.830 -4.809 1.774 1.00 0.00 C ATOM 1247 C PRO A 83 -6.764 -5.582 2.556 1.00 0.00 C ATOM 1248 O PRO A 83 -6.645 -5.464 3.759 1.00 0.00 O ATOM 1249 CB PRO A 83 -7.243 -3.544 1.159 1.00 0.00 C ATOM 1250 CG PRO A 83 -7.523 -2.458 2.150 1.00 0.00 C ATOM 1251 CD PRO A 83 -8.748 -2.863 2.934 1.00 0.00 C ATOM 0 HA PRO A 83 -8.214 -5.504 1.027 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.172 -3.651 0.985 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.702 -3.325 0.195 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -6.671 -2.317 2.815 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -7.690 -1.509 1.641 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -8.626 -2.657 3.997 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -9.631 -2.316 2.603 1.00 0.00 H new ATOM 1259 N TRP A 84 -5.994 -6.374 1.866 1.00 0.00 N ATOM 1260 CA TRP A 84 -4.926 -7.175 2.532 1.00 0.00 C ATOM 1261 C TRP A 84 -3.880 -7.596 1.493 1.00 0.00 C ATOM 1262 O TRP A 84 -4.103 -7.485 0.305 1.00 0.00 O ATOM 1263 CB TRP A 84 -5.649 -8.399 3.093 1.00 0.00 C ATOM 1264 CG TRP A 84 -6.299 -9.143 1.971 1.00 0.00 C ATOM 1265 CD1 TRP A 84 -7.555 -8.925 1.518 1.00 0.00 C ATOM 1266 CD2 TRP A 84 -5.749 -10.214 1.153 1.00 0.00 C ATOM 1267 NE1 TRP A 84 -7.811 -9.795 0.474 1.00 0.00 N ATOM 1268 CE2 TRP A 84 -6.727 -10.610 0.211 1.00 0.00 C ATOM 1269 CE3 TRP A 84 -4.507 -10.873 1.138 1.00 0.00 C ATOM 1270 CZ2 TRP A 84 -6.482 -11.626 -0.714 1.00 0.00 C ATOM 1271 CZ3 TRP A 84 -4.256 -11.895 0.208 1.00 0.00 C ATOM 1272 CH2 TRP A 84 -5.242 -12.271 -0.716 1.00 0.00 C ATOM 0 H TRP A 84 -6.058 -6.503 0.856 1.00 0.00 H new ATOM 0 HA TRP A 84 -4.404 -6.620 3.312 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -4.943 -9.046 3.614 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -6.398 -8.091 3.823 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -8.245 -8.191 1.908 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -8.692 -9.831 -0.039 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -3.741 -10.592 1.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -7.245 -11.912 -1.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -3.298 -12.394 0.204 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -5.043 -13.058 -1.428 1.00 0.00 H new ATOM 1283 N CYS A 85 -2.741 -8.078 1.919 1.00 0.00 N ATOM 1284 CA CYS A 85 -1.705 -8.494 0.920 1.00 0.00 C ATOM 1285 C CYS A 85 -0.490 -9.120 1.610 1.00 0.00 C ATOM 1286 O CYS A 85 -0.352 -9.076 2.816 1.00 0.00 O ATOM 1287 CB CYS A 85 -1.294 -7.215 0.165 1.00 0.00 C ATOM 1288 SG CYS A 85 -1.472 -5.744 1.216 1.00 0.00 S ATOM 0 H CYS A 85 -2.484 -8.201 2.898 1.00 0.00 H new ATOM 0 HA CYS A 85 -2.103 -9.249 0.242 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.260 -7.303 -0.169 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.909 -7.103 -0.728 1.00 0.00 H new ATOM 1293 N TYR A 86 0.394 -9.705 0.840 1.00 0.00 N ATOM 1294 CA TYR A 86 1.611 -10.341 1.433 1.00 0.00 C ATOM 1295 C TYR A 86 2.505 -9.266 2.053 1.00 0.00 C ATOM 1296 O TYR A 86 2.469 -8.123 1.652 1.00 0.00 O ATOM 1297 CB TYR A 86 2.343 -11.014 0.264 1.00 0.00 C ATOM 1298 CG TYR A 86 1.355 -11.670 -0.675 1.00 0.00 C ATOM 1299 CD1 TYR A 86 0.134 -12.151 -0.187 1.00 0.00 C ATOM 1300 CD2 TYR A 86 1.663 -11.796 -2.037 1.00 0.00 C ATOM 1301 CE1 TYR A 86 -0.778 -12.758 -1.059 1.00 0.00 C ATOM 1302 CE2 TYR A 86 0.750 -12.402 -2.907 1.00 0.00 C ATOM 1303 CZ TYR A 86 -0.470 -12.884 -2.418 1.00 0.00 C ATOM 1304 OH TYR A 86 -1.369 -13.481 -3.278 1.00 0.00 O ATOM 0 H TYR A 86 0.325 -9.770 -0.176 1.00 0.00 H new ATOM 0 HA TYR A 86 1.354 -11.056 2.214 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.932 -10.274 -0.278 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.041 -11.760 0.645 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -0.104 -12.054 0.862 1.00 0.00 H new ATOM 0 HD2 TYR A 86 2.605 -11.425 -2.414 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -1.720 -13.129 -0.682 1.00 0.00 H new ATOM 0 HE2 TYR A 86 0.987 -12.498 -3.956 1.00 0.00 H new ATOM 0 HH TYR A 86 -0.999 -13.486 -4.186 1.00 0.00 H new ATOM 1314 N THR A 87 3.309 -9.619 3.021 1.00 0.00 N ATOM 1315 CA THR A 87 4.202 -8.597 3.651 1.00 0.00 C ATOM 1316 C THR A 87 5.641 -8.771 3.166 1.00 0.00 C ATOM 1317 O THR A 87 6.065 -9.855 2.818 1.00 0.00 O ATOM 1318 CB THR A 87 4.157 -8.849 5.162 1.00 0.00 C ATOM 1319 OG1 THR A 87 5.172 -9.781 5.502 1.00 0.00 O ATOM 1320 CG2 THR A 87 2.797 -9.403 5.584 1.00 0.00 C ATOM 0 H THR A 87 3.388 -10.562 3.402 1.00 0.00 H new ATOM 0 HA THR A 87 3.872 -7.591 3.392 1.00 0.00 H new ATOM 0 HB THR A 87 4.318 -7.904 5.682 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.667 -9.455 6.282 1.00 0.00 H new ATOM 0 HG21 THR A 87 2.792 -9.573 6.661 1.00 0.00 H new ATOM 0 HG22 THR A 87 2.017 -8.687 5.326 1.00 0.00 H new ATOM 0 HG23 THR A 87 2.611 -10.345 5.067 1.00 0.00 H new ATOM 1328 N MET A 88 6.401 -7.710 3.160 1.00 0.00 N ATOM 1329 CA MET A 88 7.825 -7.803 2.721 1.00 0.00 C ATOM 1330 C MET A 88 8.595 -8.815 3.583 1.00 0.00 C ATOM 1331 O MET A 88 9.717 -9.168 3.277 1.00 0.00 O ATOM 1332 CB MET A 88 8.389 -6.396 2.921 1.00 0.00 C ATOM 1333 CG MET A 88 8.400 -6.056 4.412 1.00 0.00 C ATOM 1334 SD MET A 88 10.024 -6.449 5.110 1.00 0.00 S ATOM 1335 CE MET A 88 10.396 -4.804 5.768 1.00 0.00 C ATOM 0 H MET A 88 6.097 -6.778 3.441 1.00 0.00 H new ATOM 0 HA MET A 88 7.913 -8.142 1.689 1.00 0.00 H new ATOM 0 HB2 MET A 88 9.400 -6.337 2.517 1.00 0.00 H new ATOM 0 HB3 MET A 88 7.785 -5.670 2.376 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.177 -4.999 4.556 1.00 0.00 H new ATOM 0 HG3 MET A 88 7.624 -6.619 4.930 1.00 0.00 H new ATOM 0 HE1 MET A 88 11.373 -4.818 6.252 1.00 0.00 H new ATOM 0 HE2 MET A 88 10.405 -4.080 4.953 1.00 0.00 H new ATOM 0 HE3 MET A 88 9.635 -4.523 6.496 1.00 0.00 H new ATOM 1345 N ASP A 89 8.011 -9.290 4.654 1.00 0.00 N ATOM 1346 CA ASP A 89 8.722 -10.274 5.510 1.00 0.00 C ATOM 1347 C ASP A 89 8.217 -11.685 5.205 1.00 0.00 C ATOM 1348 O ASP A 89 7.027 -11.931 5.198 1.00 0.00 O ATOM 1349 CB ASP A 89 8.370 -9.875 6.944 1.00 0.00 C ATOM 1350 CG ASP A 89 9.653 -9.742 7.766 1.00 0.00 C ATOM 1351 OD1 ASP A 89 10.406 -10.700 7.813 1.00 0.00 O ATOM 1352 OD2 ASP A 89 9.860 -8.683 8.336 1.00 0.00 O ATOM 0 H ASP A 89 7.074 -9.037 4.968 1.00 0.00 H new ATOM 0 HA ASP A 89 9.799 -10.275 5.342 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.824 -8.931 6.947 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.715 -10.623 7.391 1.00 0.00 H new ATOM 1357 N PRO A 90 9.143 -12.567 4.963 1.00 0.00 N ATOM 1358 CA PRO A 90 8.793 -13.973 4.654 1.00 0.00 C ATOM 1359 C PRO A 90 8.219 -14.650 5.897 1.00 0.00 C ATOM 1360 O PRO A 90 7.629 -15.710 5.825 1.00 0.00 O ATOM 1361 CB PRO A 90 10.128 -14.593 4.245 1.00 0.00 C ATOM 1362 CG PRO A 90 11.161 -13.737 4.904 1.00 0.00 C ATOM 1363 CD PRO A 90 10.589 -12.344 4.959 1.00 0.00 C ATOM 0 HA PRO A 90 8.036 -14.076 3.876 1.00 0.00 H new ATOM 0 HB2 PRO A 90 10.202 -15.629 4.576 1.00 0.00 H new ATOM 0 HB3 PRO A 90 10.248 -14.596 3.162 1.00 0.00 H new ATOM 0 HG2 PRO A 90 11.387 -14.103 5.905 1.00 0.00 H new ATOM 0 HG3 PRO A 90 12.094 -13.752 4.341 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.915 -11.811 5.852 1.00 0.00 H new ATOM 0 HD3 PRO A 90 10.901 -11.748 4.101 1.00 0.00 H new ATOM 1371 N ASN A 91 8.375 -14.035 7.035 1.00 0.00 N ATOM 1372 CA ASN A 91 7.824 -14.630 8.283 1.00 0.00 C ATOM 1373 C ASN A 91 6.338 -14.297 8.392 1.00 0.00 C ATOM 1374 O ASN A 91 5.622 -14.853 9.201 1.00 0.00 O ATOM 1375 CB ASN A 91 8.606 -13.973 9.420 1.00 0.00 C ATOM 1376 CG ASN A 91 10.065 -14.427 9.365 1.00 0.00 C ATOM 1377 OD1 ASN A 91 10.344 -15.592 9.166 1.00 0.00 O ATOM 1378 ND2 ASN A 91 11.014 -13.548 9.534 1.00 0.00 N ATOM 0 H ASN A 91 8.860 -13.146 7.155 1.00 0.00 H new ATOM 0 HA ASN A 91 7.919 -15.716 8.307 1.00 0.00 H new ATOM 0 HB2 ASN A 91 8.548 -12.888 9.336 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.166 -14.242 10.381 1.00 0.00 H new ATOM 0 HD21 ASN A 91 11.991 -13.839 9.499 1.00 0.00 H new ATOM 0 HD22 ASN A 91 10.779 -12.570 9.701 1.00 0.00 H new ATOM 1385 N VAL A 92 5.866 -13.392 7.577 1.00 0.00 N ATOM 1386 CA VAL A 92 4.428 -13.024 7.628 1.00 0.00 C ATOM 1387 C VAL A 92 3.777 -13.309 6.272 1.00 0.00 C ATOM 1388 O VAL A 92 3.736 -12.458 5.405 1.00 0.00 O ATOM 1389 CB VAL A 92 4.414 -11.527 7.936 1.00 0.00 C ATOM 1390 CG1 VAL A 92 2.966 -11.050 8.056 1.00 0.00 C ATOM 1391 CG2 VAL A 92 5.145 -11.271 9.257 1.00 0.00 C ATOM 0 H VAL A 92 6.417 -12.893 6.879 1.00 0.00 H new ATOM 0 HA VAL A 92 3.873 -13.591 8.375 1.00 0.00 H new ATOM 0 HB VAL A 92 4.913 -10.984 7.134 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.952 -9.982 8.276 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.443 -11.234 7.117 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.470 -11.593 8.860 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.135 -10.204 9.477 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.645 -11.812 10.060 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.176 -11.615 9.175 1.00 0.00 H new ATOM 1401 N ARG A 93 3.280 -14.504 6.085 1.00 0.00 N ATOM 1402 CA ARG A 93 2.636 -14.861 4.786 1.00 0.00 C ATOM 1403 C ARG A 93 1.830 -13.676 4.251 1.00 0.00 C ATOM 1404 O ARG A 93 2.194 -13.055 3.272 1.00 0.00 O ATOM 1405 CB ARG A 93 1.710 -16.033 5.115 1.00 0.00 C ATOM 1406 CG ARG A 93 2.546 -17.248 5.523 1.00 0.00 C ATOM 1407 CD ARG A 93 3.361 -17.735 4.323 1.00 0.00 C ATOM 1408 NE ARG A 93 3.155 -19.209 4.297 1.00 0.00 N ATOM 1409 CZ ARG A 93 2.887 -19.811 3.171 1.00 0.00 C ATOM 1410 NH1 ARG A 93 3.860 -20.195 2.391 1.00 0.00 N ATOM 1411 NH2 ARG A 93 1.647 -20.029 2.825 1.00 0.00 N ATOM 0 H ARG A 93 3.293 -15.251 6.779 1.00 0.00 H new ATOM 0 HA ARG A 93 3.367 -15.119 4.019 1.00 0.00 H new ATOM 0 HB2 ARG A 93 1.031 -15.758 5.922 1.00 0.00 H new ATOM 0 HB3 ARG A 93 1.094 -16.277 4.250 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.212 -16.985 6.345 1.00 0.00 H new ATOM 0 HG3 ARG A 93 1.896 -18.046 5.882 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.019 -17.271 3.398 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.416 -17.485 4.434 1.00 0.00 H new ATOM 0 HE ARG A 93 3.223 -19.749 5.160 1.00 0.00 H new ATOM 0 HH11 ARG A 93 4.828 -20.024 2.662 1.00 0.00 H new ATOM 0 HH12 ARG A 93 3.652 -20.666 1.510 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.887 -19.729 3.435 1.00 0.00 H new ATOM 0 HH22 ARG A 93 1.438 -20.500 1.944 1.00 0.00 H new ATOM 1425 N TRP A 94 0.744 -13.355 4.892 1.00 0.00 N ATOM 1426 CA TRP A 94 -0.082 -12.206 4.432 1.00 0.00 C ATOM 1427 C TRP A 94 -0.779 -11.559 5.629 1.00 0.00 C ATOM 1428 O TRP A 94 -0.691 -12.041 6.741 1.00 0.00 O ATOM 1429 CB TRP A 94 -1.105 -12.809 3.468 1.00 0.00 C ATOM 1430 CG TRP A 94 -2.135 -13.572 4.238 1.00 0.00 C ATOM 1431 CD1 TRP A 94 -1.961 -14.810 4.756 1.00 0.00 C ATOM 1432 CD2 TRP A 94 -3.490 -13.169 4.584 1.00 0.00 C ATOM 1433 NE1 TRP A 94 -3.126 -15.193 5.397 1.00 0.00 N ATOM 1434 CE2 TRP A 94 -4.097 -14.215 5.319 1.00 0.00 C ATOM 1435 CE3 TRP A 94 -4.245 -12.009 4.334 1.00 0.00 C ATOM 1436 CZ2 TRP A 94 -5.407 -14.113 5.789 1.00 0.00 C ATOM 1437 CZ3 TRP A 94 -5.563 -11.904 4.805 1.00 0.00 C ATOM 1438 CH2 TRP A 94 -6.142 -12.954 5.531 1.00 0.00 C ATOM 0 H TRP A 94 0.391 -13.840 5.717 1.00 0.00 H new ATOM 0 HA TRP A 94 0.513 -11.430 3.950 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -1.582 -12.019 2.888 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.605 -13.468 2.758 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -1.061 -15.402 4.681 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -3.252 -16.088 5.869 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -3.808 -11.194 3.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -5.849 -14.924 6.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -6.134 -11.009 4.607 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -7.157 -12.867 5.891 1.00 0.00 H new ATOM 1449 N GLU A 95 -1.466 -10.474 5.417 1.00 0.00 N ATOM 1450 CA GLU A 95 -2.159 -9.809 6.556 1.00 0.00 C ATOM 1451 C GLU A 95 -2.969 -8.611 6.060 1.00 0.00 C ATOM 1452 O GLU A 95 -2.565 -7.907 5.157 1.00 0.00 O ATOM 1453 CB GLU A 95 -1.034 -9.349 7.483 1.00 0.00 C ATOM 1454 CG GLU A 95 -1.407 -9.659 8.934 1.00 0.00 C ATOM 1455 CD GLU A 95 -0.754 -10.975 9.360 1.00 0.00 C ATOM 1456 OE1 GLU A 95 0.465 -11.022 9.402 1.00 0.00 O ATOM 1457 OE2 GLU A 95 -1.483 -11.913 9.635 1.00 0.00 O ATOM 0 H GLU A 95 -1.578 -10.020 4.511 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.860 -10.475 7.060 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.104 -9.853 7.220 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.863 -8.279 7.361 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.078 -8.850 9.586 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.490 -9.729 9.035 1.00 0.00 H new ATOM 1464 N TYR A 96 -4.106 -8.371 6.651 1.00 0.00 N ATOM 1465 CA TYR A 96 -4.935 -7.212 6.218 1.00 0.00 C ATOM 1466 C TYR A 96 -4.143 -5.918 6.403 1.00 0.00 C ATOM 1467 O TYR A 96 -3.022 -5.930 6.871 1.00 0.00 O ATOM 1468 CB TYR A 96 -6.154 -7.227 7.142 1.00 0.00 C ATOM 1469 CG TYR A 96 -7.141 -8.268 6.670 1.00 0.00 C ATOM 1470 CD1 TYR A 96 -7.020 -9.593 7.104 1.00 0.00 C ATOM 1471 CD2 TYR A 96 -8.178 -7.906 5.802 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -7.937 -10.558 6.669 1.00 0.00 C ATOM 1473 CE2 TYR A 96 -9.095 -8.871 5.367 1.00 0.00 C ATOM 1474 CZ TYR A 96 -8.974 -10.197 5.801 1.00 0.00 C ATOM 1475 OH TYR A 96 -9.877 -11.148 5.370 1.00 0.00 O ATOM 0 H TYR A 96 -4.496 -8.926 7.413 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.222 -7.273 5.168 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.844 -7.444 8.164 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.625 -6.244 7.153 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -6.220 -9.871 7.774 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -8.271 -6.883 5.468 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -7.844 -11.581 7.003 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -9.895 -8.593 4.697 1.00 0.00 H new ATOM 0 HH TYR A 96 -9.979 -11.838 6.058 1.00 0.00 H new ATOM 1485 N CYS A 97 -4.709 -4.802 6.040 1.00 0.00 N ATOM 1486 CA CYS A 97 -3.975 -3.514 6.202 1.00 0.00 C ATOM 1487 C CYS A 97 -4.626 -2.657 7.291 1.00 0.00 C ATOM 1488 O CYS A 97 -5.758 -2.879 7.674 1.00 0.00 O ATOM 1489 CB CYS A 97 -4.084 -2.825 4.842 1.00 0.00 C ATOM 1490 SG CYS A 97 -3.129 -3.752 3.614 1.00 0.00 S ATOM 0 H CYS A 97 -5.644 -4.724 5.640 1.00 0.00 H new ATOM 0 HA CYS A 97 -2.939 -3.668 6.503 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -5.128 -2.765 4.536 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -3.713 -1.802 4.910 1.00 0.00 H new ATOM 1495 N ASN A 98 -3.922 -1.670 7.785 1.00 0.00 N ATOM 1496 CA ASN A 98 -4.508 -0.786 8.839 1.00 0.00 C ATOM 1497 C ASN A 98 -5.688 -0.011 8.252 1.00 0.00 C ATOM 1498 O ASN A 98 -5.627 1.190 8.074 1.00 0.00 O ATOM 1499 CB ASN A 98 -3.386 0.181 9.223 1.00 0.00 C ATOM 1500 CG ASN A 98 -2.359 -0.540 10.099 1.00 0.00 C ATOM 1501 OD1 ASN A 98 -2.573 -1.663 10.507 1.00 0.00 O ATOM 1502 ND2 ASN A 98 -1.245 0.065 10.408 1.00 0.00 N ATOM 0 H ASN A 98 -2.969 -1.438 7.505 1.00 0.00 H new ATOM 0 HA ASN A 98 -4.871 -1.348 9.699 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.904 0.569 8.325 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -3.798 1.037 9.758 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -0.554 -0.406 10.992 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.065 1.009 10.065 1.00 0.00 H new ATOM 1509 N LEU A 99 -6.747 -0.690 7.916 1.00 0.00 N ATOM 1510 CA LEU A 99 -7.909 0.007 7.305 1.00 0.00 C ATOM 1511 C LEU A 99 -9.072 0.149 8.292 1.00 0.00 C ATOM 1512 O LEU A 99 -9.371 -0.738 9.066 1.00 0.00 O ATOM 1513 CB LEU A 99 -8.293 -0.887 6.125 1.00 0.00 C ATOM 1514 CG LEU A 99 -7.343 -0.653 4.938 1.00 0.00 C ATOM 1515 CD1 LEU A 99 -7.944 0.400 4.008 1.00 0.00 C ATOM 1516 CD2 LEU A 99 -5.966 -0.178 5.420 1.00 0.00 C ATOM 0 H LEU A 99 -6.858 -1.697 8.038 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.667 1.026 7.004 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -8.255 -1.934 6.427 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.319 -0.679 5.823 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.217 -1.596 4.406 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -7.272 0.568 3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.909 0.052 3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -8.080 1.333 4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.314 -0.020 4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.075 0.757 5.969 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.529 -0.933 6.073 1.00 0.00 H new ATOM 1528 N THR A 100 -9.725 1.276 8.246 1.00 0.00 N ATOM 1529 CA THR A 100 -10.880 1.548 9.142 1.00 0.00 C ATOM 1530 C THR A 100 -11.835 2.514 8.440 1.00 0.00 C ATOM 1531 O THR A 100 -11.448 3.225 7.538 1.00 0.00 O ATOM 1532 CB THR A 100 -10.286 2.217 10.375 1.00 0.00 C ATOM 1533 OG1 THR A 100 -9.190 3.034 9.989 1.00 0.00 O ATOM 1534 CG2 THR A 100 -9.812 1.155 11.365 1.00 0.00 C ATOM 0 H THR A 100 -9.499 2.039 7.607 1.00 0.00 H new ATOM 0 HA THR A 100 -11.432 0.644 9.399 1.00 0.00 H new ATOM 0 HB THR A 100 -11.048 2.833 10.852 1.00 0.00 H new ATOM 0 HG1 THR A 100 -9.427 3.977 10.110 1.00 0.00 H new ATOM 0 HG21 THR A 100 -9.388 1.640 12.244 1.00 0.00 H new ATOM 0 HG22 THR A 100 -10.656 0.534 11.665 1.00 0.00 H new ATOM 0 HG23 THR A 100 -9.052 0.531 10.894 1.00 0.00 H new ATOM 1542 N GLN A 101 -13.071 2.559 8.840 1.00 0.00 N ATOM 1543 CA GLN A 101 -14.023 3.498 8.176 1.00 0.00 C ATOM 1544 C GLN A 101 -13.561 4.946 8.380 1.00 0.00 C ATOM 1545 O GLN A 101 -13.575 5.460 9.481 1.00 0.00 O ATOM 1546 CB GLN A 101 -15.367 3.253 8.860 1.00 0.00 C ATOM 1547 CG GLN A 101 -16.231 2.354 7.972 1.00 0.00 C ATOM 1548 CD GLN A 101 -17.682 2.406 8.452 1.00 0.00 C ATOM 1549 OE1 GLN A 101 -18.036 3.237 9.265 1.00 0.00 O ATOM 1550 NE2 GLN A 101 -18.545 1.548 7.979 1.00 0.00 N ATOM 0 H GLN A 101 -13.465 1.993 9.591 1.00 0.00 H new ATOM 0 HA GLN A 101 -14.085 3.335 7.100 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -15.213 2.784 9.832 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -15.874 4.201 9.040 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -16.168 2.681 6.934 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -15.862 1.329 8.006 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -18.249 0.850 7.297 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -19.515 1.576 8.292 1.00 0.00 H new ATOM 1559 N CYS A 102 -13.143 5.605 7.329 1.00 0.00 N ATOM 1560 CA CYS A 102 -12.673 7.016 7.475 1.00 0.00 C ATOM 1561 C CYS A 102 -13.691 7.838 8.272 1.00 0.00 C ATOM 1562 O CYS A 102 -14.880 7.749 8.038 1.00 0.00 O ATOM 1563 CB CYS A 102 -12.556 7.564 6.051 1.00 0.00 C ATOM 1564 SG CYS A 102 -11.411 6.547 5.084 1.00 0.00 S ATOM 0 H CYS A 102 -13.107 5.230 6.381 1.00 0.00 H new ATOM 0 HA CYS A 102 -11.724 7.068 8.009 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -13.537 7.574 5.575 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -12.205 8.595 6.078 1.00 0.00 H new