USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 684 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 48 ASN :FLIP amide:sc= -1.09 F(o=-7.1,f=-6.5) USER MOD Set 1.2: A 79 GLN : amide:sc= -5.39! K(o=-6.5!,f=-9) USER MOD Single : A 30 SER OG : rot -34:sc= 0.923 USER MOD Single : A 32 SER OG : rot -47:sc= 0.888 USER MOD Single : A 33 ASN : amide:sc= -6.18! C(o=-6.2!,f=-7.4!) USER MOD Single : A 50 GLN : amide:sc= 0.251 X(o=0.25,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 161:sc= -0.0587 (180deg=-0.386) USER MOD Single : A 66 SER OG : rot -180:sc= 0.176 USER MOD Single : A 71 SER OG : rot -35:sc= 0.296 USER MOD Single : A 76 SER OG : rot -170:sc= 0.778 USER MOD Single : A 89 MET CE :methyl -174:sc= -2.07 (180deg=-2.11) USER MOD Single : A 91 LYS NZ :NH3+ 170:sc= -0.366 (180deg=-0.445) USER MOD Single : A 95 THR OG1 : rot -69:sc= -0.518 USER MOD Single : A 97 THR OG1 : rot 72:sc= 0.309 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.0468 K(o=-0.047,f=-0.94) USER MOD Single : A 107 TYR OH : rot -147:sc= -2.43! USER MOD Single : A 110 THR OG1 : rot -37:sc= 0.866 USER MOD Single : A 111 HIS : no HE2:sc= -1.86 K(o=-1.9,f=-3.5) USER MOD ----------------------------------------------------------------- ATOM 347 N ALA A 23 -11.912 -0.247 4.707 1.00 0.00 N ATOM 348 CA ALA A 23 -11.649 -1.674 4.539 1.00 0.00 C ATOM 349 C ALA A 23 -10.152 -1.975 4.513 1.00 0.00 C ATOM 350 O ALA A 23 -9.735 -3.024 4.022 1.00 0.00 O ATOM 351 CB ALA A 23 -12.311 -2.182 3.267 1.00 0.00 C ATOM 0 HA ALA A 23 -12.074 -2.193 5.398 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.108 -3.247 3.152 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.387 -2.022 3.328 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.912 -1.642 2.408 1.00 0.00 H new ATOM 357 N PHE A 24 -9.347 -1.061 5.045 1.00 0.00 N ATOM 358 CA PHE A 24 -7.903 -1.248 5.074 1.00 0.00 C ATOM 359 C PHE A 24 -7.535 -2.458 5.923 1.00 0.00 C ATOM 360 O PHE A 24 -6.759 -3.313 5.504 1.00 0.00 O ATOM 361 CB PHE A 24 -7.214 0.003 5.616 1.00 0.00 C ATOM 362 CG PHE A 24 -5.828 0.196 5.074 1.00 0.00 C ATOM 363 CD1 PHE A 24 -4.891 -0.820 5.156 1.00 0.00 C ATOM 364 CD2 PHE A 24 -5.465 1.390 4.478 1.00 0.00 C ATOM 365 CE1 PHE A 24 -3.621 -0.650 4.655 1.00 0.00 C ATOM 366 CE2 PHE A 24 -4.194 1.568 3.977 1.00 0.00 C ATOM 367 CZ PHE A 24 -3.269 0.548 4.064 1.00 0.00 C ATOM 0 H PHE A 24 -9.670 -0.187 5.460 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.561 -1.423 4.054 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.818 0.877 5.372 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.167 -0.058 6.703 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.160 -1.758 5.619 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.185 2.191 4.405 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.901 -1.452 4.724 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.922 2.506 3.516 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.272 0.686 3.671 1.00 0.00 H new ATOM 377 N GLU A 25 -8.089 -2.510 7.127 1.00 0.00 N ATOM 378 CA GLU A 25 -7.830 -3.612 8.047 1.00 0.00 C ATOM 379 C GLU A 25 -8.330 -4.949 7.499 1.00 0.00 C ATOM 380 O GLU A 25 -7.565 -5.912 7.457 1.00 0.00 O ATOM 381 CB GLU A 25 -8.470 -3.339 9.398 1.00 0.00 C ATOM 382 CG GLU A 25 -7.594 -2.531 10.342 1.00 0.00 C ATOM 383 CD GLU A 25 -8.256 -2.285 11.684 1.00 0.00 C ATOM 384 OE1 GLU A 25 -9.092 -1.363 11.774 1.00 0.00 O ATOM 385 OE2 GLU A 25 -7.938 -3.017 12.646 1.00 0.00 O ATOM 0 H GLU A 25 -8.723 -1.799 7.491 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.749 -3.683 8.164 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.409 -2.807 9.244 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.717 -4.290 9.871 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.652 -3.056 10.497 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.353 -1.574 9.879 1.00 0.00 H new ATOM 392 N PRO A 26 -9.622 -5.047 7.094 1.00 0.00 N ATOM 393 CA PRO A 26 -10.181 -6.289 6.547 1.00 0.00 C ATOM 394 C PRO A 26 -9.214 -6.977 5.593 1.00 0.00 C ATOM 395 O PRO A 26 -9.275 -8.189 5.381 1.00 0.00 O ATOM 396 CB PRO A 26 -11.422 -5.804 5.803 1.00 0.00 C ATOM 397 CG PRO A 26 -11.879 -4.617 6.578 1.00 0.00 C ATOM 398 CD PRO A 26 -10.637 -3.972 7.143 1.00 0.00 C ATOM 0 HA PRO A 26 -10.392 -7.030 7.318 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.189 -5.539 4.772 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.191 -6.576 5.768 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.421 -3.921 5.938 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.560 -4.913 7.376 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.332 -3.108 6.553 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -10.798 -3.621 8.162 1.00 0.00 H new ATOM 406 N LEU A 27 -8.323 -6.179 5.021 1.00 0.00 N ATOM 407 CA LEU A 27 -7.311 -6.665 4.101 1.00 0.00 C ATOM 408 C LEU A 27 -6.194 -7.374 4.862 1.00 0.00 C ATOM 409 O LEU A 27 -5.894 -8.541 4.610 1.00 0.00 O ATOM 410 CB LEU A 27 -6.738 -5.484 3.328 1.00 0.00 C ATOM 411 CG LEU A 27 -7.662 -4.890 2.260 1.00 0.00 C ATOM 412 CD1 LEU A 27 -7.045 -3.634 1.662 1.00 0.00 C ATOM 413 CD2 LEU A 27 -7.949 -5.914 1.172 1.00 0.00 C ATOM 0 H LEU A 27 -8.284 -5.173 5.184 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.764 -7.377 3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.478 -4.698 4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.812 -5.800 2.848 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.606 -4.619 2.733 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.714 -3.225 0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.891 -2.895 2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.087 -3.882 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.607 -5.474 0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.014 -6.216 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.433 -6.786 1.612 1.00 0.00 H new ATOM 425 N LEU A 28 -5.586 -6.647 5.797 1.00 0.00 N ATOM 426 CA LEU A 28 -4.500 -7.180 6.612 1.00 0.00 C ATOM 427 C LEU A 28 -4.978 -8.350 7.467 1.00 0.00 C ATOM 428 O LEU A 28 -4.188 -9.208 7.863 1.00 0.00 O ATOM 429 CB LEU A 28 -3.931 -6.074 7.508 1.00 0.00 C ATOM 430 CG LEU A 28 -3.002 -6.545 8.633 1.00 0.00 C ATOM 431 CD1 LEU A 28 -1.743 -7.179 8.063 1.00 0.00 C ATOM 432 CD2 LEU A 28 -2.646 -5.384 9.547 1.00 0.00 C ATOM 0 H LEU A 28 -5.831 -5.680 6.009 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.719 -7.544 5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.385 -5.369 6.882 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.763 -5.528 7.953 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.528 -7.299 9.218 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.099 -7.506 8.879 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.014 -8.038 7.449 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.212 -6.449 7.452 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.986 -5.735 10.340 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.141 -4.609 8.971 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.556 -4.975 9.986 1.00 0.00 H new ATOM 444 N GLU A 29 -6.278 -8.380 7.744 1.00 0.00 N ATOM 445 CA GLU A 29 -6.860 -9.439 8.558 1.00 0.00 C ATOM 446 C GLU A 29 -6.976 -10.738 7.769 1.00 0.00 C ATOM 447 O GLU A 29 -6.624 -11.810 8.264 1.00 0.00 O ATOM 448 CB GLU A 29 -8.238 -9.022 9.074 1.00 0.00 C ATOM 449 CG GLU A 29 -8.198 -7.864 10.058 1.00 0.00 C ATOM 450 CD GLU A 29 -9.569 -7.519 10.605 1.00 0.00 C ATOM 451 OE1 GLU A 29 -10.002 -8.173 11.578 1.00 0.00 O ATOM 452 OE2 GLU A 29 -10.210 -6.594 10.063 1.00 0.00 O ATOM 0 H GLU A 29 -6.947 -7.683 7.417 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.197 -9.608 9.406 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.865 -8.745 8.226 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.711 -9.879 9.554 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.534 -8.117 10.884 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.776 -6.988 9.566 1.00 0.00 H new ATOM 459 N SER A 30 -7.472 -10.637 6.542 1.00 0.00 N ATOM 460 CA SER A 30 -7.639 -11.804 5.685 1.00 0.00 C ATOM 461 C SER A 30 -6.296 -12.452 5.361 1.00 0.00 C ATOM 462 O SER A 30 -6.248 -13.588 4.891 1.00 0.00 O ATOM 463 CB SER A 30 -8.354 -11.415 4.392 1.00 0.00 C ATOM 464 OG SER A 30 -7.576 -10.506 3.633 1.00 0.00 O ATOM 0 H SER A 30 -7.766 -9.757 6.118 1.00 0.00 H new ATOM 0 HA SER A 30 -8.245 -12.530 6.227 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.555 -12.308 3.801 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.318 -10.965 4.627 1.00 0.00 H new ATOM 0 HG SER A 30 -7.076 -9.919 4.238 1.00 0.00 H new ATOM 470 N LEU A 31 -5.207 -11.729 5.615 1.00 0.00 N ATOM 471 CA LEU A 31 -3.867 -12.243 5.347 1.00 0.00 C ATOM 472 C LEU A 31 -3.565 -13.463 6.213 1.00 0.00 C ATOM 473 O LEU A 31 -2.572 -14.160 5.998 1.00 0.00 O ATOM 474 CB LEU A 31 -2.817 -11.156 5.594 1.00 0.00 C ATOM 475 CG LEU A 31 -2.740 -10.069 4.520 1.00 0.00 C ATOM 476 CD1 LEU A 31 -1.752 -8.989 4.928 1.00 0.00 C ATOM 477 CD2 LEU A 31 -2.343 -10.670 3.181 1.00 0.00 C ATOM 0 H LEU A 31 -5.227 -10.787 6.005 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.828 -12.544 4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.026 -10.682 6.553 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.839 -11.630 5.679 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.726 -9.617 4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.709 -8.224 4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.073 -8.538 5.867 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.764 -9.430 5.057 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.293 -9.882 2.429 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.367 -11.148 3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.083 -11.412 2.881 1.00 0.00 H new ATOM 489 N SER A 32 -4.427 -13.714 7.192 1.00 0.00 N ATOM 490 CA SER A 32 -4.257 -14.850 8.090 1.00 0.00 C ATOM 491 C SER A 32 -5.080 -16.044 7.611 1.00 0.00 C ATOM 492 O SER A 32 -5.420 -16.929 8.396 1.00 0.00 O ATOM 493 CB SER A 32 -4.671 -14.463 9.513 1.00 0.00 C ATOM 494 OG SER A 32 -4.429 -15.522 10.424 1.00 0.00 O ATOM 0 H SER A 32 -5.252 -13.145 7.384 1.00 0.00 H new ATOM 0 HA SER A 32 -3.205 -15.134 8.091 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.119 -13.577 9.827 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.729 -14.202 9.528 1.00 0.00 H new ATOM 0 HG SER A 32 -4.770 -16.361 10.049 1.00 0.00 H new ATOM 500 N ASN A 33 -5.391 -16.066 6.317 1.00 0.00 N ATOM 501 CA ASN A 33 -6.181 -17.151 5.742 1.00 0.00 C ATOM 502 C ASN A 33 -5.282 -18.296 5.281 1.00 0.00 C ATOM 503 O ASN A 33 -4.147 -18.077 4.859 1.00 0.00 O ATOM 504 CB ASN A 33 -7.023 -16.631 4.574 1.00 0.00 C ATOM 505 CG ASN A 33 -6.238 -16.535 3.282 1.00 0.00 C ATOM 506 OD1 ASN A 33 -6.424 -17.339 2.372 1.00 0.00 O ATOM 507 ND2 ASN A 33 -5.347 -15.554 3.199 1.00 0.00 N ATOM 0 H ASN A 33 -5.109 -15.348 5.650 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.848 -17.534 6.514 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.878 -17.291 4.426 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.419 -15.648 4.827 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.784 -15.446 2.355 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.225 -14.908 3.979 1.00 0.00 H new ATOM 514 N GLU A 34 -5.800 -19.518 5.364 1.00 0.00 N ATOM 515 CA GLU A 34 -5.044 -20.704 4.969 1.00 0.00 C ATOM 516 C GLU A 34 -4.752 -20.709 3.471 1.00 0.00 C ATOM 517 O GLU A 34 -3.745 -21.264 3.030 1.00 0.00 O ATOM 518 CB GLU A 34 -5.809 -21.973 5.353 1.00 0.00 C ATOM 519 CG GLU A 34 -6.172 -22.045 6.827 1.00 0.00 C ATOM 520 CD GLU A 34 -4.958 -21.972 7.731 1.00 0.00 C ATOM 521 OE1 GLU A 34 -4.306 -23.019 7.932 1.00 0.00 O ATOM 522 OE2 GLU A 34 -4.659 -20.871 8.238 1.00 0.00 O ATOM 0 H GLU A 34 -6.742 -19.714 5.702 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.092 -20.680 5.499 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.722 -22.030 4.760 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.206 -22.843 5.094 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.851 -21.228 7.070 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.709 -22.974 7.020 1.00 0.00 H new ATOM 529 N ASP A 35 -5.634 -20.092 2.691 1.00 0.00 N ATOM 530 CA ASP A 35 -5.464 -20.035 1.242 1.00 0.00 C ATOM 531 C ASP A 35 -4.431 -18.982 0.852 1.00 0.00 C ATOM 532 O ASP A 35 -4.074 -18.120 1.655 1.00 0.00 O ATOM 533 CB ASP A 35 -6.801 -19.736 0.558 1.00 0.00 C ATOM 534 CG ASP A 35 -7.843 -20.804 0.832 1.00 0.00 C ATOM 535 OD1 ASP A 35 -8.479 -20.750 1.905 1.00 0.00 O ATOM 536 OD2 ASP A 35 -8.025 -21.691 -0.027 1.00 0.00 O ATOM 0 H ASP A 35 -6.472 -19.625 3.036 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.105 -21.008 0.908 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.174 -18.771 0.902 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.645 -19.652 -0.517 1.00 0.00 H new ATOM 541 N TRP A 36 -3.946 -19.065 -0.384 1.00 0.00 N ATOM 542 CA TRP A 36 -2.950 -18.121 -0.882 1.00 0.00 C ATOM 543 C TRP A 36 -3.589 -17.124 -1.842 1.00 0.00 C ATOM 544 O TRP A 36 -3.093 -16.012 -2.021 1.00 0.00 O ATOM 545 CB TRP A 36 -1.814 -18.873 -1.579 1.00 0.00 C ATOM 546 CG TRP A 36 -1.339 -20.066 -0.807 1.00 0.00 C ATOM 547 CD1 TRP A 36 -1.198 -20.162 0.547 1.00 0.00 C ATOM 548 CD2 TRP A 36 -0.944 -21.334 -1.341 1.00 0.00 C ATOM 549 NE1 TRP A 36 -0.740 -21.412 0.887 1.00 0.00 N ATOM 550 CE2 TRP A 36 -0.576 -22.149 -0.253 1.00 0.00 C ATOM 551 CE3 TRP A 36 -0.866 -21.862 -2.633 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -0.139 -23.458 -0.418 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -0.430 -23.164 -2.794 1.00 0.00 C ATOM 554 CH2 TRP A 36 -0.072 -23.949 -1.691 1.00 0.00 C ATOM 0 H TRP A 36 -4.227 -19.776 -1.059 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.541 -17.570 -0.035 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.151 -19.196 -2.564 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.977 -18.192 -1.735 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -1.415 -19.371 1.249 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.553 -21.737 1.835 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.141 -21.264 -3.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.138 -24.066 0.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.364 -23.583 -3.787 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.264 -24.963 -1.850 1.00 0.00 H new ATOM 565 N ARG A 37 -4.692 -17.535 -2.454 1.00 0.00 N ATOM 566 CA ARG A 37 -5.414 -16.684 -3.396 1.00 0.00 C ATOM 567 C ARG A 37 -5.908 -15.408 -2.720 1.00 0.00 C ATOM 568 O ARG A 37 -5.872 -14.329 -3.310 1.00 0.00 O ATOM 569 CB ARG A 37 -6.603 -17.439 -3.994 1.00 0.00 C ATOM 570 CG ARG A 37 -6.217 -18.728 -4.700 1.00 0.00 C ATOM 571 CD ARG A 37 -7.420 -19.372 -5.373 1.00 0.00 C ATOM 572 NE ARG A 37 -8.500 -19.638 -4.425 1.00 0.00 N ATOM 573 CZ ARG A 37 -9.492 -20.496 -4.656 1.00 0.00 C ATOM 574 NH1 ARG A 37 -9.535 -21.177 -5.793 1.00 0.00 N ATOM 575 NH2 ARG A 37 -10.442 -20.675 -3.747 1.00 0.00 N ATOM 0 H ARG A 37 -5.109 -18.456 -2.315 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.722 -16.410 -4.192 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.313 -17.669 -3.199 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.117 -16.788 -4.701 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.449 -18.521 -5.445 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.785 -19.424 -3.981 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.785 -18.718 -6.165 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.114 -20.305 -5.846 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.494 -19.138 -3.536 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.807 -21.045 -6.495 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.297 -21.833 -5.966 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.413 -20.155 -2.870 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.201 -21.332 -3.925 1.00 0.00 H new ATOM 589 N ILE A 38 -6.368 -15.538 -1.479 1.00 0.00 N ATOM 590 CA ILE A 38 -6.879 -14.396 -0.727 1.00 0.00 C ATOM 591 C ILE A 38 -5.744 -13.554 -0.151 1.00 0.00 C ATOM 592 O ILE A 38 -5.763 -12.327 -0.244 1.00 0.00 O ATOM 593 CB ILE A 38 -7.799 -14.847 0.426 1.00 0.00 C ATOM 594 CG1 ILE A 38 -8.824 -15.867 -0.080 1.00 0.00 C ATOM 595 CG2 ILE A 38 -8.496 -13.644 1.045 1.00 0.00 C ATOM 596 CD1 ILE A 38 -9.730 -16.412 1.005 1.00 0.00 C ATOM 0 H ILE A 38 -6.397 -16.423 -0.973 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.453 -13.793 -1.430 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.191 -15.325 1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.436 -15.401 -0.852 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.296 -16.696 -0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.142 -13.976 1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.750 -12.952 1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.096 -13.141 0.287 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.428 -17.128 0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.128 -16.908 1.766 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.287 -15.593 1.460 1.00 0.00 H new ATOM 608 N ARG A 39 -4.758 -14.220 0.442 1.00 0.00 N ATOM 609 CA ARG A 39 -3.621 -13.528 1.041 1.00 0.00 C ATOM 610 C ARG A 39 -2.873 -12.693 0.004 1.00 0.00 C ATOM 611 O ARG A 39 -2.462 -11.567 0.281 1.00 0.00 O ATOM 612 CB ARG A 39 -2.665 -14.535 1.686 1.00 0.00 C ATOM 613 CG ARG A 39 -1.558 -13.883 2.495 1.00 0.00 C ATOM 614 CD ARG A 39 -0.609 -14.914 3.083 1.00 0.00 C ATOM 615 NE ARG A 39 -1.290 -15.832 3.991 1.00 0.00 N ATOM 616 CZ ARG A 39 -0.659 -16.713 4.763 1.00 0.00 C ATOM 617 NH1 ARG A 39 0.665 -16.796 4.736 1.00 0.00 N ATOM 618 NH2 ARG A 39 -1.351 -17.512 5.563 1.00 0.00 N ATOM 0 H ARG A 39 -4.723 -15.236 0.521 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.006 -12.856 1.808 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.234 -15.201 2.334 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.219 -15.153 0.906 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.000 -13.195 1.860 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.995 -13.291 3.299 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.145 -15.481 2.276 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.193 -14.405 3.617 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.308 -15.796 4.036 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.202 -16.183 4.122 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.146 -17.472 5.329 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.369 -17.452 5.587 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.866 -18.187 6.154 1.00 0.00 H new ATOM 632 N GLY A 40 -2.700 -13.250 -1.191 1.00 0.00 N ATOM 633 CA GLY A 40 -1.993 -12.543 -2.243 1.00 0.00 C ATOM 634 C GLY A 40 -2.715 -11.292 -2.705 1.00 0.00 C ATOM 635 O GLY A 40 -2.195 -10.184 -2.568 1.00 0.00 O ATOM 0 H GLY A 40 -3.037 -14.178 -1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.999 -12.272 -1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.855 -13.211 -3.093 1.00 0.00 H new ATOM 639 N ALA A 41 -3.914 -11.470 -3.258 1.00 0.00 N ATOM 640 CA ALA A 41 -4.716 -10.352 -3.745 1.00 0.00 C ATOM 641 C ALA A 41 -4.827 -9.254 -2.693 1.00 0.00 C ATOM 642 O ALA A 41 -5.050 -8.088 -3.021 1.00 0.00 O ATOM 643 CB ALA A 41 -6.099 -10.835 -4.155 1.00 0.00 C ATOM 0 H ALA A 41 -4.352 -12.383 -3.380 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.216 -9.932 -4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.687 -9.991 -4.516 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.005 -11.577 -4.947 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.598 -11.283 -3.295 1.00 0.00 H new ATOM 649 N ALA A 42 -4.674 -9.631 -1.428 1.00 0.00 N ATOM 650 CA ALA A 42 -4.747 -8.672 -0.337 1.00 0.00 C ATOM 651 C ALA A 42 -3.629 -7.641 -0.448 1.00 0.00 C ATOM 652 O ALA A 42 -3.886 -6.437 -0.473 1.00 0.00 O ATOM 653 CB ALA A 42 -4.685 -9.385 1.004 1.00 0.00 C ATOM 0 H ALA A 42 -4.499 -10.592 -1.136 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.701 -8.149 -0.406 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.741 -8.652 1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.522 -10.079 1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.748 -9.936 1.080 1.00 0.00 H new ATOM 659 N ALA A 43 -2.388 -8.119 -0.518 1.00 0.00 N ATOM 660 CA ALA A 43 -1.233 -7.236 -0.633 1.00 0.00 C ATOM 661 C ALA A 43 -1.223 -6.535 -1.986 1.00 0.00 C ATOM 662 O ALA A 43 -0.613 -5.478 -2.147 1.00 0.00 O ATOM 663 CB ALA A 43 0.055 -8.018 -0.435 1.00 0.00 C ATOM 0 H ALA A 43 -2.158 -9.113 -0.497 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.304 -6.478 0.147 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.907 -7.344 -0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.055 -8.474 0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.128 -8.797 -1.194 1.00 0.00 H new ATOM 669 N TRP A 44 -1.906 -7.135 -2.954 1.00 0.00 N ATOM 670 CA TRP A 44 -1.985 -6.582 -4.298 1.00 0.00 C ATOM 671 C TRP A 44 -2.546 -5.159 -4.289 1.00 0.00 C ATOM 672 O TRP A 44 -1.990 -4.263 -4.926 1.00 0.00 O ATOM 673 CB TRP A 44 -2.847 -7.488 -5.183 1.00 0.00 C ATOM 674 CG TRP A 44 -2.037 -8.385 -6.065 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.507 -9.597 -5.732 1.00 0.00 C ATOM 676 CD2 TRP A 44 -1.658 -8.139 -7.424 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.813 -10.117 -6.797 1.00 0.00 N ATOM 678 CE2 TRP A 44 -0.893 -9.243 -7.849 1.00 0.00 C ATOM 679 CE3 TRP A 44 -1.888 -7.095 -8.324 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.358 -9.330 -9.132 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -1.358 -7.183 -9.598 1.00 0.00 C ATOM 682 CH2 TRP A 44 -0.600 -8.293 -9.991 1.00 0.00 C ATOM 0 H TRP A 44 -2.416 -8.010 -2.830 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.975 -6.535 -4.704 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.493 -8.097 -4.550 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.497 -6.870 -5.802 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.617 -10.078 -4.771 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.318 -11.009 -6.804 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.470 -6.234 -8.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.227 -10.185 -9.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.531 -6.382 -10.302 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.198 -8.331 -10.993 1.00 0.00 H new ATOM 693 N ILE A 45 -3.642 -4.955 -3.563 1.00 0.00 N ATOM 694 CA ILE A 45 -4.284 -3.643 -3.493 1.00 0.00 C ATOM 695 C ILE A 45 -3.912 -2.877 -2.219 1.00 0.00 C ATOM 696 O ILE A 45 -4.032 -1.653 -2.165 1.00 0.00 O ATOM 697 CB ILE A 45 -5.823 -3.774 -3.569 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.244 -4.414 -4.893 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.492 -2.417 -3.409 1.00 0.00 C ATOM 700 CD1 ILE A 45 -6.134 -5.923 -4.903 1.00 0.00 C ATOM 0 H ILE A 45 -4.105 -5.680 -3.015 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.918 -3.080 -4.351 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.146 -4.417 -2.750 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.274 -4.133 -5.111 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.627 -4.009 -5.695 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.574 -2.536 -3.466 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.224 -1.991 -2.442 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.158 -1.751 -4.204 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.449 -6.304 -5.874 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.100 -6.214 -4.717 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.773 -6.340 -4.125 1.00 0.00 H new ATOM 712 N ILE A 46 -3.456 -3.596 -1.200 1.00 0.00 N ATOM 713 CA ILE A 46 -3.105 -2.977 0.079 1.00 0.00 C ATOM 714 C ILE A 46 -2.076 -1.847 -0.069 1.00 0.00 C ATOM 715 O ILE A 46 -2.182 -0.819 0.602 1.00 0.00 O ATOM 716 CB ILE A 46 -2.588 -4.027 1.094 1.00 0.00 C ATOM 717 CG1 ILE A 46 -2.998 -3.625 2.513 1.00 0.00 C ATOM 718 CG2 ILE A 46 -1.076 -4.194 0.998 1.00 0.00 C ATOM 719 CD1 ILE A 46 -2.567 -4.609 3.580 1.00 0.00 C ATOM 0 H ILE A 46 -3.320 -4.606 -1.231 1.00 0.00 H new ATOM 0 HA ILE A 46 -4.027 -2.537 0.459 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.040 -4.989 0.852 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.572 -2.648 2.740 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.082 -3.516 2.550 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.745 -4.938 1.723 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.809 -4.523 -0.006 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.591 -3.241 1.208 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.895 -4.253 4.557 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.015 -5.582 3.379 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.481 -4.701 3.573 1.00 0.00 H new ATOM 731 N GLY A 47 -1.093 -2.031 -0.948 1.00 0.00 N ATOM 732 CA GLY A 47 -0.066 -1.017 -1.134 1.00 0.00 C ATOM 733 C GLY A 47 -0.540 0.186 -1.927 1.00 0.00 C ATOM 734 O GLY A 47 0.144 1.209 -1.978 1.00 0.00 O ATOM 0 H GLY A 47 -0.989 -2.860 -1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.285 -0.683 -0.157 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.787 -1.465 -1.643 1.00 0.00 H new ATOM 738 N ASN A 48 -1.711 0.071 -2.540 1.00 0.00 N ATOM 739 CA ASN A 48 -2.264 1.156 -3.349 1.00 0.00 C ATOM 740 C ASN A 48 -2.722 2.343 -2.499 1.00 0.00 C ATOM 741 O ASN A 48 -3.026 3.407 -3.038 1.00 0.00 O ATOM 742 CB ASN A 48 -3.432 0.646 -4.193 1.00 0.00 C ATOM 743 CG ASN A 48 -2.972 -0.069 -5.447 1.00 0.00 C ATOM 744 OD1 ASN A 48 -2.611 -1.340 -5.310 1.00 0.00 O flip ATOM 745 ND2 ASN A 48 -2.937 0.517 -6.530 1.00 0.00 N flip ATOM 0 H ASN A 48 -2.298 -0.762 -2.494 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.463 1.507 -4.000 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.040 -0.032 -3.594 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.070 1.485 -4.470 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.223 1.494 -6.591 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.622 0.025 -7.366 1.00 0.00 H new ATOM 752 N PHE A 49 -2.779 2.167 -1.181 1.00 0.00 N ATOM 753 CA PHE A 49 -3.218 3.244 -0.298 1.00 0.00 C ATOM 754 C PHE A 49 -2.038 4.031 0.275 1.00 0.00 C ATOM 755 O PHE A 49 -2.234 5.025 0.974 1.00 0.00 O ATOM 756 CB PHE A 49 -4.079 2.677 0.830 1.00 0.00 C ATOM 757 CG PHE A 49 -5.228 1.837 0.338 1.00 0.00 C ATOM 758 CD1 PHE A 49 -6.041 2.284 -0.692 1.00 0.00 C ATOM 759 CD2 PHE A 49 -5.490 0.598 0.903 1.00 0.00 C ATOM 760 CE1 PHE A 49 -7.094 1.514 -1.149 1.00 0.00 C ATOM 761 CE2 PHE A 49 -6.543 -0.176 0.450 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.345 0.283 -0.577 1.00 0.00 C ATOM 0 H PHE A 49 -2.530 1.300 -0.705 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.812 3.938 -0.892 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.453 2.074 1.488 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.470 3.500 1.428 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.849 3.246 -1.143 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.865 0.234 1.705 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.719 1.875 -1.952 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.738 -1.139 0.899 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.167 -0.321 -0.932 1.00 0.00 H new ATOM 772 N GLN A 50 -0.821 3.585 -0.029 1.00 0.00 N ATOM 773 CA GLN A 50 0.389 4.257 0.449 1.00 0.00 C ATOM 774 C GLN A 50 0.303 4.593 1.936 1.00 0.00 C ATOM 775 O GLN A 50 0.448 5.751 2.328 1.00 0.00 O ATOM 776 CB GLN A 50 0.638 5.538 -0.351 1.00 0.00 C ATOM 777 CG GLN A 50 1.494 5.328 -1.587 1.00 0.00 C ATOM 778 CD GLN A 50 0.671 5.049 -2.830 1.00 0.00 C ATOM 779 OE1 GLN A 50 0.271 5.970 -3.542 1.00 0.00 O ATOM 780 NE2 GLN A 50 0.419 3.774 -3.099 1.00 0.00 N ATOM 0 H GLN A 50 -0.645 2.761 -0.604 1.00 0.00 H new ATOM 0 HA GLN A 50 1.220 3.567 0.305 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.321 5.961 -0.651 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.121 6.271 0.295 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.107 6.214 -1.754 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.176 4.496 -1.414 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.771 3.043 -2.481 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.126 3.525 -3.924 1.00 0.00 H new ATOM 789 N ASP A 51 0.067 3.581 2.760 1.00 0.00 N ATOM 790 CA ASP A 51 -0.029 3.787 4.201 1.00 0.00 C ATOM 791 C ASP A 51 0.905 2.841 4.949 1.00 0.00 C ATOM 792 O ASP A 51 1.206 1.745 4.476 1.00 0.00 O ATOM 793 CB ASP A 51 -1.469 3.588 4.675 1.00 0.00 C ATOM 794 CG ASP A 51 -1.714 4.192 6.044 1.00 0.00 C ATOM 795 OD1 ASP A 51 -2.084 5.383 6.108 1.00 0.00 O ATOM 796 OD2 ASP A 51 -1.533 3.476 7.050 1.00 0.00 O ATOM 0 H ASP A 51 -0.061 2.615 2.459 1.00 0.00 H new ATOM 0 HA ASP A 51 0.274 4.812 4.416 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.152 4.038 3.954 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.695 2.522 4.705 1.00 0.00 H new ATOM 801 N GLU A 52 1.362 3.278 6.119 1.00 0.00 N ATOM 802 CA GLU A 52 2.258 2.477 6.945 1.00 0.00 C ATOM 803 C GLU A 52 1.604 1.154 7.329 1.00 0.00 C ATOM 804 O GLU A 52 2.284 0.181 7.650 1.00 0.00 O ATOM 805 CB GLU A 52 2.642 3.256 8.203 1.00 0.00 C ATOM 806 CG GLU A 52 1.444 3.751 8.997 1.00 0.00 C ATOM 807 CD GLU A 52 1.827 4.755 10.066 1.00 0.00 C ATOM 808 OE1 GLU A 52 1.995 5.946 9.730 1.00 0.00 O ATOM 809 OE2 GLU A 52 1.960 4.349 11.239 1.00 0.00 O ATOM 0 H GLU A 52 1.125 4.187 6.517 1.00 0.00 H new ATOM 0 HA GLU A 52 3.157 2.260 6.368 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.254 2.620 8.842 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.258 4.109 7.919 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.725 4.207 8.316 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.946 2.901 9.464 1.00 0.00 H new ATOM 816 N ARG A 53 0.278 1.132 7.296 1.00 0.00 N ATOM 817 CA ARG A 53 -0.478 -0.067 7.632 1.00 0.00 C ATOM 818 C ARG A 53 -0.220 -1.171 6.608 1.00 0.00 C ATOM 819 O ARG A 53 -0.254 -2.358 6.932 1.00 0.00 O ATOM 820 CB ARG A 53 -1.974 0.258 7.673 1.00 0.00 C ATOM 821 CG ARG A 53 -2.749 -0.430 8.791 1.00 0.00 C ATOM 822 CD ARG A 53 -2.534 -1.937 8.807 1.00 0.00 C ATOM 823 NE ARG A 53 -1.324 -2.309 9.534 1.00 0.00 N ATOM 824 CZ ARG A 53 -1.303 -2.584 10.835 1.00 0.00 C ATOM 825 NH1 ARG A 53 -2.422 -2.533 11.544 1.00 0.00 N ATOM 826 NH2 ARG A 53 -0.162 -2.912 11.425 1.00 0.00 N ATOM 0 H ARG A 53 -0.298 1.934 7.039 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.154 -0.417 8.612 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.094 1.336 7.777 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.418 -0.021 6.718 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.444 -0.012 9.751 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.812 -0.219 8.675 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.396 -2.421 9.266 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.469 -2.305 7.783 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.447 -2.361 9.016 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.301 -2.282 11.092 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.404 -2.744 12.542 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.700 -2.953 10.881 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.146 -3.123 12.423 1.00 0.00 H new ATOM 840 N ALA A 54 0.046 -0.764 5.372 1.00 0.00 N ATOM 841 CA ALA A 54 0.291 -1.706 4.285 1.00 0.00 C ATOM 842 C ALA A 54 1.775 -1.844 3.956 1.00 0.00 C ATOM 843 O ALA A 54 2.135 -2.112 2.810 1.00 0.00 O ATOM 844 CB ALA A 54 -0.468 -1.259 3.048 1.00 0.00 C ATOM 0 H ALA A 54 0.098 0.217 5.096 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.060 -2.684 4.613 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.286 -1.962 2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.535 -1.227 3.268 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.129 -0.266 2.752 1.00 0.00 H new ATOM 850 N VAL A 55 2.637 -1.673 4.953 1.00 0.00 N ATOM 851 CA VAL A 55 4.072 -1.787 4.723 1.00 0.00 C ATOM 852 C VAL A 55 4.570 -3.216 4.961 1.00 0.00 C ATOM 853 O VAL A 55 5.199 -3.812 4.087 1.00 0.00 O ATOM 854 CB VAL A 55 4.876 -0.785 5.587 1.00 0.00 C ATOM 855 CG1 VAL A 55 4.875 -1.180 7.055 1.00 0.00 C ATOM 856 CG2 VAL A 55 6.296 -0.654 5.063 1.00 0.00 C ATOM 0 H VAL A 55 2.372 -1.458 5.914 1.00 0.00 H new ATOM 0 HA VAL A 55 4.240 -1.538 3.675 1.00 0.00 H new ATOM 0 HB VAL A 55 4.386 0.186 5.513 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.449 -0.452 7.628 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.850 -1.205 7.424 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.325 -2.166 7.167 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.848 0.054 5.681 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.788 -1.626 5.097 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.272 -0.296 4.034 1.00 0.00 H new ATOM 866 N GLU A 56 4.286 -3.762 6.142 1.00 0.00 N ATOM 867 CA GLU A 56 4.711 -5.116 6.487 1.00 0.00 C ATOM 868 C GLU A 56 4.116 -6.170 5.542 1.00 0.00 C ATOM 869 O GLU A 56 4.847 -7.016 5.029 1.00 0.00 O ATOM 870 CB GLU A 56 4.343 -5.452 7.933 1.00 0.00 C ATOM 871 CG GLU A 56 5.039 -6.700 8.451 1.00 0.00 C ATOM 872 CD GLU A 56 4.307 -7.333 9.619 1.00 0.00 C ATOM 873 OE1 GLU A 56 4.534 -6.899 10.768 1.00 0.00 O ATOM 874 OE2 GLU A 56 3.508 -8.264 9.384 1.00 0.00 O ATOM 0 H GLU A 56 3.762 -3.286 6.877 1.00 0.00 H new ATOM 0 HA GLU A 56 5.795 -5.141 6.376 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.600 -4.608 8.573 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.264 -5.589 8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.123 -7.427 7.643 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.053 -6.445 8.758 1.00 0.00 H new ATOM 881 N PRO A 57 2.782 -6.142 5.304 1.00 0.00 N ATOM 882 CA PRO A 57 2.116 -7.115 4.428 1.00 0.00 C ATOM 883 C PRO A 57 2.884 -7.382 3.144 1.00 0.00 C ATOM 884 O PRO A 57 2.916 -8.510 2.650 1.00 0.00 O ATOM 885 CB PRO A 57 0.785 -6.441 4.109 1.00 0.00 C ATOM 886 CG PRO A 57 0.490 -5.604 5.304 1.00 0.00 C ATOM 887 CD PRO A 57 1.822 -5.162 5.855 1.00 0.00 C ATOM 0 HA PRO A 57 2.025 -8.089 4.908 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.855 -5.833 3.207 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.000 -7.177 3.937 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.123 -4.744 5.034 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.068 -6.172 6.048 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.065 -4.146 5.543 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.825 -5.170 6.945 1.00 0.00 H new ATOM 895 N LEU A 58 3.501 -6.341 2.607 1.00 0.00 N ATOM 896 CA LEU A 58 4.262 -6.468 1.375 1.00 0.00 C ATOM 897 C LEU A 58 5.551 -7.249 1.605 1.00 0.00 C ATOM 898 O LEU A 58 5.873 -8.163 0.851 1.00 0.00 O ATOM 899 CB LEU A 58 4.586 -5.086 0.801 1.00 0.00 C ATOM 900 CG LEU A 58 3.400 -4.123 0.701 1.00 0.00 C ATOM 901 CD1 LEU A 58 3.820 -2.836 0.012 1.00 0.00 C ATOM 902 CD2 LEU A 58 2.241 -4.769 -0.042 1.00 0.00 C ATOM 0 H LEU A 58 3.490 -5.401 3.004 1.00 0.00 H new ATOM 0 HA LEU A 58 3.650 -7.016 0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.355 -4.625 1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.013 -5.215 -0.194 1.00 0.00 H new ATOM 0 HG LEU A 58 3.067 -3.885 1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.966 -2.162 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.616 -2.360 0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.180 -3.061 -0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.410 -4.066 -0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.560 -5.039 -1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.922 -5.665 0.490 1.00 0.00 H new ATOM 914 N ILE A 59 6.273 -6.888 2.658 1.00 0.00 N ATOM 915 CA ILE A 59 7.540 -7.532 2.988 1.00 0.00 C ATOM 916 C ILE A 59 7.389 -9.034 3.233 1.00 0.00 C ATOM 917 O ILE A 59 8.131 -9.842 2.676 1.00 0.00 O ATOM 918 CB ILE A 59 8.170 -6.895 4.242 1.00 0.00 C ATOM 919 CG1 ILE A 59 8.153 -5.369 4.132 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.591 -7.404 4.438 1.00 0.00 C ATOM 921 CD1 ILE A 59 8.581 -4.663 5.401 1.00 0.00 C ATOM 0 H ILE A 59 6.001 -6.147 3.303 1.00 0.00 H new ATOM 0 HA ILE A 59 8.186 -7.385 2.123 1.00 0.00 H new ATOM 0 HB ILE A 59 7.579 -7.182 5.112 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.811 -5.065 3.318 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.147 -5.044 3.867 1.00 0.00 H new ATOM 0 HG21 ILE A 59 10.022 -6.945 5.328 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.576 -8.487 4.560 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.194 -7.145 3.567 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.544 -3.584 5.248 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.909 -4.937 6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.599 -4.958 5.656 1.00 0.00 H new ATOM 933 N LYS A 60 6.422 -9.397 4.066 1.00 0.00 N ATOM 934 CA LYS A 60 6.196 -10.793 4.428 1.00 0.00 C ATOM 935 C LYS A 60 5.637 -11.633 3.275 1.00 0.00 C ATOM 936 O LYS A 60 5.855 -12.845 3.233 1.00 0.00 O ATOM 937 CB LYS A 60 5.245 -10.862 5.629 1.00 0.00 C ATOM 938 CG LYS A 60 3.947 -10.098 5.423 1.00 0.00 C ATOM 939 CD LYS A 60 2.799 -11.030 5.070 1.00 0.00 C ATOM 940 CE LYS A 60 2.342 -11.833 6.278 1.00 0.00 C ATOM 941 NZ LYS A 60 1.756 -10.961 7.334 1.00 0.00 N ATOM 0 H LYS A 60 5.777 -8.741 4.507 1.00 0.00 H new ATOM 0 HA LYS A 60 7.167 -11.218 4.682 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.013 -11.906 5.838 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.754 -10.466 6.508 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.702 -9.545 6.330 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.078 -9.364 4.628 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.963 -10.448 4.681 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.111 -11.709 4.277 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.603 -12.571 5.965 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.188 -12.383 6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.177 -11.537 7.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.521 -10.504 7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.161 -10.232 6.891 1.00 0.00 H new ATOM 955 N LEU A 61 4.930 -11.004 2.341 1.00 0.00 N ATOM 956 CA LEU A 61 4.330 -11.742 1.228 1.00 0.00 C ATOM 957 C LEU A 61 5.246 -11.859 0.005 1.00 0.00 C ATOM 958 O LEU A 61 5.168 -12.840 -0.733 1.00 0.00 O ATOM 959 CB LEU A 61 3.004 -11.107 0.816 1.00 0.00 C ATOM 960 CG LEU A 61 2.179 -11.949 -0.157 1.00 0.00 C ATOM 961 CD1 LEU A 61 1.620 -13.179 0.545 1.00 0.00 C ATOM 962 CD2 LEU A 61 1.062 -11.121 -0.770 1.00 0.00 C ATOM 0 H LEU A 61 4.758 -9.999 2.329 1.00 0.00 H new ATOM 0 HA LEU A 61 4.163 -12.754 1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.410 -10.921 1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.205 -10.138 0.359 1.00 0.00 H new ATOM 0 HG LEU A 61 2.832 -12.283 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.035 -13.767 -0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.442 -13.784 0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.982 -12.867 1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.487 -11.739 -1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.407 -10.752 0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.490 -10.276 -1.310 1.00 0.00 H new ATOM 974 N LEU A 62 6.106 -10.871 -0.216 1.00 0.00 N ATOM 975 CA LEU A 62 7.002 -10.897 -1.372 1.00 0.00 C ATOM 976 C LEU A 62 8.042 -11.998 -1.222 1.00 0.00 C ATOM 977 O LEU A 62 8.804 -12.283 -2.145 1.00 0.00 O ATOM 978 CB LEU A 62 7.681 -9.540 -1.557 1.00 0.00 C ATOM 979 CG LEU A 62 8.402 -9.001 -0.324 1.00 0.00 C ATOM 980 CD1 LEU A 62 9.761 -9.664 -0.158 1.00 0.00 C ATOM 981 CD2 LEU A 62 8.549 -7.491 -0.419 1.00 0.00 C ATOM 0 H LEU A 62 6.204 -10.050 0.381 1.00 0.00 H new ATOM 0 HA LEU A 62 6.406 -11.108 -2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.400 -9.619 -2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.928 -8.814 -1.865 1.00 0.00 H new ATOM 0 HG LEU A 62 7.803 -9.237 0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.255 -9.264 0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.629 -10.740 -0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.373 -9.464 -1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.065 -7.119 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.126 -7.237 -1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.562 -7.033 -0.483 1.00 0.00 H new ATOM 993 N GLU A 63 8.080 -12.595 -0.040 1.00 0.00 N ATOM 994 CA GLU A 63 9.012 -13.674 0.242 1.00 0.00 C ATOM 995 C GLU A 63 8.252 -14.985 0.432 1.00 0.00 C ATOM 996 O GLU A 63 8.848 -16.033 0.684 1.00 0.00 O ATOM 997 CB GLU A 63 9.830 -13.346 1.492 1.00 0.00 C ATOM 998 CG GLU A 63 8.989 -13.127 2.738 1.00 0.00 C ATOM 999 CD GLU A 63 9.833 -12.901 3.976 1.00 0.00 C ATOM 1000 OE1 GLU A 63 10.184 -13.894 4.647 1.00 0.00 O ATOM 1001 OE2 GLU A 63 10.145 -11.729 4.277 1.00 0.00 O ATOM 0 H GLU A 63 7.473 -12.348 0.742 1.00 0.00 H new ATOM 0 HA GLU A 63 9.693 -13.785 -0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.533 -14.158 1.678 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.421 -12.450 1.303 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.336 -12.267 2.585 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.345 -13.992 2.894 1.00 0.00 H new ATOM 1008 N ASP A 64 6.927 -14.910 0.305 1.00 0.00 N ATOM 1009 CA ASP A 64 6.066 -16.078 0.466 1.00 0.00 C ATOM 1010 C ASP A 64 6.388 -17.132 -0.576 1.00 0.00 C ATOM 1011 O ASP A 64 6.256 -18.333 -0.336 1.00 0.00 O ATOM 1012 CB ASP A 64 4.592 -15.675 0.377 1.00 0.00 C ATOM 1013 CG ASP A 64 3.676 -16.685 1.038 1.00 0.00 C ATOM 1014 OD1 ASP A 64 3.375 -17.718 0.406 1.00 0.00 O ATOM 1015 OD2 ASP A 64 3.262 -16.444 2.191 1.00 0.00 O ATOM 0 H ASP A 64 6.426 -14.048 0.090 1.00 0.00 H new ATOM 0 HA ASP A 64 6.252 -16.503 1.453 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.455 -14.702 0.848 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.311 -15.565 -0.670 1.00 0.00 H new ATOM 1020 N ASP A 65 6.808 -16.657 -1.734 1.00 0.00 N ATOM 1021 CA ASP A 65 7.171 -17.524 -2.846 1.00 0.00 C ATOM 1022 C ASP A 65 5.998 -18.399 -3.286 1.00 0.00 C ATOM 1023 O ASP A 65 6.198 -19.465 -3.870 1.00 0.00 O ATOM 1024 CB ASP A 65 8.370 -18.396 -2.463 1.00 0.00 C ATOM 1025 CG ASP A 65 9.007 -19.062 -3.667 1.00 0.00 C ATOM 1026 OD1 ASP A 65 9.748 -18.374 -4.400 1.00 0.00 O ATOM 1027 OD2 ASP A 65 8.766 -20.269 -3.875 1.00 0.00 O ATOM 0 H ASP A 65 6.908 -15.662 -1.933 1.00 0.00 H new ATOM 0 HA ASP A 65 7.443 -16.889 -3.689 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.114 -17.783 -1.954 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.049 -19.161 -1.756 1.00 0.00 H new ATOM 1032 N SER A 66 4.770 -17.949 -3.020 1.00 0.00 N ATOM 1033 CA SER A 66 3.592 -18.715 -3.417 1.00 0.00 C ATOM 1034 C SER A 66 3.290 -18.483 -4.893 1.00 0.00 C ATOM 1035 O SER A 66 2.604 -19.281 -5.534 1.00 0.00 O ATOM 1036 CB SER A 66 2.376 -18.338 -2.569 1.00 0.00 C ATOM 1037 OG SER A 66 1.617 -19.485 -2.224 1.00 0.00 O ATOM 0 H SER A 66 4.569 -17.072 -2.539 1.00 0.00 H new ATOM 0 HA SER A 66 3.805 -19.772 -3.254 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.705 -17.830 -1.662 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.749 -17.636 -3.119 1.00 0.00 H new ATOM 0 HG SER A 66 0.845 -19.216 -1.684 1.00 0.00 H new ATOM 1043 N GLY A 67 3.811 -17.379 -5.424 1.00 0.00 N ATOM 1044 CA GLY A 67 3.607 -17.048 -6.822 1.00 0.00 C ATOM 1045 C GLY A 67 3.091 -15.639 -7.020 1.00 0.00 C ATOM 1046 O GLY A 67 3.822 -14.674 -6.802 1.00 0.00 O ATOM 0 H GLY A 67 4.374 -16.705 -4.906 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.548 -17.165 -7.360 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.901 -17.754 -7.259 1.00 0.00 H new ATOM 1050 N PHE A 68 1.833 -15.513 -7.437 1.00 0.00 N ATOM 1051 CA PHE A 68 1.242 -14.199 -7.659 1.00 0.00 C ATOM 1052 C PHE A 68 1.327 -13.365 -6.386 1.00 0.00 C ATOM 1053 O PHE A 68 1.312 -12.136 -6.435 1.00 0.00 O ATOM 1054 CB PHE A 68 -0.211 -14.324 -8.139 1.00 0.00 C ATOM 1055 CG PHE A 68 -1.243 -14.268 -7.042 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -1.666 -15.427 -6.407 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -1.798 -13.056 -6.655 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -2.618 -15.378 -5.409 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -2.751 -13.004 -5.658 1.00 0.00 C ATOM 1060 CZ PHE A 68 -3.162 -14.165 -5.035 1.00 0.00 C ATOM 0 H PHE A 68 1.210 -16.298 -7.626 1.00 0.00 H new ATOM 0 HA PHE A 68 1.806 -13.693 -8.443 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.414 -13.525 -8.852 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.322 -15.266 -8.676 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.245 -16.378 -6.697 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.481 -12.144 -7.139 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.937 -16.287 -4.921 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.175 -12.055 -5.365 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.909 -14.125 -4.256 1.00 0.00 H new ATOM 1070 N VAL A 69 1.421 -14.048 -5.248 1.00 0.00 N ATOM 1071 CA VAL A 69 1.524 -13.376 -3.965 1.00 0.00 C ATOM 1072 C VAL A 69 2.871 -12.682 -3.848 1.00 0.00 C ATOM 1073 O VAL A 69 2.982 -11.588 -3.294 1.00 0.00 O ATOM 1074 CB VAL A 69 1.359 -14.367 -2.796 1.00 0.00 C ATOM 1075 CG1 VAL A 69 0.163 -15.279 -3.027 1.00 0.00 C ATOM 1076 CG2 VAL A 69 2.627 -15.176 -2.578 1.00 0.00 C ATOM 0 H VAL A 69 1.428 -15.066 -5.193 1.00 0.00 H new ATOM 0 HA VAL A 69 0.721 -12.641 -3.910 1.00 0.00 H new ATOM 0 HB VAL A 69 1.175 -13.790 -1.890 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.065 -15.970 -2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.743 -14.678 -3.109 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.308 -15.843 -3.948 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.480 -15.866 -1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.859 -15.740 -3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.453 -14.503 -2.349 1.00 0.00 H new ATOM 1086 N ARG A 70 3.892 -13.339 -4.383 1.00 0.00 N ATOM 1087 CA ARG A 70 5.244 -12.813 -4.361 1.00 0.00 C ATOM 1088 C ARG A 70 5.324 -11.511 -5.150 1.00 0.00 C ATOM 1089 O ARG A 70 5.784 -10.490 -4.640 1.00 0.00 O ATOM 1090 CB ARG A 70 6.215 -13.844 -4.939 1.00 0.00 C ATOM 1091 CG ARG A 70 7.427 -14.096 -4.062 1.00 0.00 C ATOM 1092 CD ARG A 70 8.515 -14.839 -4.817 1.00 0.00 C ATOM 1093 NE ARG A 70 7.967 -15.884 -5.680 1.00 0.00 N ATOM 1094 CZ ARG A 70 8.552 -16.299 -6.800 1.00 0.00 C ATOM 1095 NH1 ARG A 70 9.700 -15.765 -7.193 1.00 0.00 N ATOM 1096 NH2 ARG A 70 7.985 -17.248 -7.535 1.00 0.00 N ATOM 0 H ARG A 70 3.804 -14.246 -4.841 1.00 0.00 H new ATOM 0 HA ARG A 70 5.522 -12.606 -3.327 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.685 -14.784 -5.091 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.550 -13.505 -5.919 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.819 -13.146 -3.699 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.130 -14.674 -3.187 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.085 -14.132 -5.420 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.211 -15.284 -4.106 1.00 0.00 H new ATOM 0 HE ARG A 70 7.086 -16.320 -5.408 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.139 -15.032 -6.636 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.144 -16.087 -8.053 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.099 -17.660 -7.241 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.435 -17.565 -8.394 1.00 0.00 H new ATOM 1110 N SER A 71 4.867 -11.559 -6.397 1.00 0.00 N ATOM 1111 CA SER A 71 4.879 -10.389 -7.270 1.00 0.00 C ATOM 1112 C SER A 71 3.917 -9.315 -6.775 1.00 0.00 C ATOM 1113 O SER A 71 4.217 -8.125 -6.848 1.00 0.00 O ATOM 1114 CB SER A 71 4.517 -10.790 -8.700 1.00 0.00 C ATOM 1115 OG SER A 71 5.492 -11.658 -9.252 1.00 0.00 O ATOM 0 H SER A 71 4.482 -12.399 -6.828 1.00 0.00 H new ATOM 0 HA SER A 71 5.887 -9.975 -7.255 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.544 -11.281 -8.707 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.429 -9.897 -9.319 1.00 0.00 H new ATOM 0 HG SER A 71 6.380 -11.404 -8.923 1.00 0.00 H new ATOM 1121 N GLY A 72 2.763 -9.742 -6.278 1.00 0.00 N ATOM 1122 CA GLY A 72 1.771 -8.803 -5.785 1.00 0.00 C ATOM 1123 C GLY A 72 2.341 -7.831 -4.776 1.00 0.00 C ATOM 1124 O GLY A 72 2.333 -6.621 -4.992 1.00 0.00 O ATOM 0 H GLY A 72 2.495 -10.724 -6.207 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.354 -8.247 -6.624 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.949 -9.355 -5.328 1.00 0.00 H new ATOM 1128 N ALA A 73 2.823 -8.361 -3.664 1.00 0.00 N ATOM 1129 CA ALA A 73 3.411 -7.539 -2.620 1.00 0.00 C ATOM 1130 C ALA A 73 4.598 -6.741 -3.153 1.00 0.00 C ATOM 1131 O ALA A 73 4.820 -5.602 -2.749 1.00 0.00 O ATOM 1132 CB ALA A 73 3.841 -8.418 -1.458 1.00 0.00 C ATOM 0 H ALA A 73 2.818 -9.361 -3.461 1.00 0.00 H new ATOM 0 HA ALA A 73 2.661 -6.828 -2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.282 -7.799 -0.677 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.973 -8.943 -1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.577 -9.144 -1.804 1.00 0.00 H new ATOM 1138 N ALA A 74 5.344 -7.340 -4.080 1.00 0.00 N ATOM 1139 CA ALA A 74 6.521 -6.697 -4.657 1.00 0.00 C ATOM 1140 C ALA A 74 6.171 -5.400 -5.383 1.00 0.00 C ATOM 1141 O ALA A 74 6.694 -4.336 -5.051 1.00 0.00 O ATOM 1142 CB ALA A 74 7.231 -7.654 -5.602 1.00 0.00 C ATOM 0 H ALA A 74 5.153 -8.272 -4.448 1.00 0.00 H new ATOM 0 HA ALA A 74 7.188 -6.439 -3.834 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.107 -7.163 -6.026 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.543 -8.543 -5.053 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.553 -7.943 -6.405 1.00 0.00 H new ATOM 1148 N ARG A 75 5.290 -5.494 -6.375 1.00 0.00 N ATOM 1149 CA ARG A 75 4.893 -4.326 -7.156 1.00 0.00 C ATOM 1150 C ARG A 75 4.371 -3.207 -6.262 1.00 0.00 C ATOM 1151 O ARG A 75 4.579 -2.030 -6.552 1.00 0.00 O ATOM 1152 CB ARG A 75 3.837 -4.710 -8.198 1.00 0.00 C ATOM 1153 CG ARG A 75 2.665 -5.492 -7.631 1.00 0.00 C ATOM 1154 CD ARG A 75 1.739 -5.982 -8.733 1.00 0.00 C ATOM 1155 NE ARG A 75 2.473 -6.646 -9.808 1.00 0.00 N ATOM 1156 CZ ARG A 75 2.123 -6.583 -11.089 1.00 0.00 C ATOM 1157 NH1 ARG A 75 1.049 -5.897 -11.455 1.00 0.00 N ATOM 1158 NH2 ARG A 75 2.845 -7.213 -12.006 1.00 0.00 N ATOM 0 H ARG A 75 4.838 -6.364 -6.657 1.00 0.00 H new ATOM 0 HA ARG A 75 5.780 -3.957 -7.671 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.461 -3.803 -8.670 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.312 -5.303 -8.980 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.036 -6.343 -7.060 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.107 -4.862 -6.938 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.008 -6.673 -8.312 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.182 -5.138 -9.141 1.00 0.00 H new ATOM 0 HE ARG A 75 3.301 -7.189 -9.562 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.488 -5.415 -10.753 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.784 -5.851 -12.439 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.669 -7.746 -11.728 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.576 -7.164 -12.989 1.00 0.00 H new ATOM 1172 N SER A 76 3.699 -3.575 -5.175 1.00 0.00 N ATOM 1173 CA SER A 76 3.153 -2.593 -4.245 1.00 0.00 C ATOM 1174 C SER A 76 4.249 -1.672 -3.707 1.00 0.00 C ATOM 1175 O SER A 76 4.007 -0.493 -3.449 1.00 0.00 O ATOM 1176 CB SER A 76 2.443 -3.296 -3.088 1.00 0.00 C ATOM 1177 OG SER A 76 1.389 -4.121 -3.558 1.00 0.00 O ATOM 0 H SER A 76 3.520 -4.545 -4.917 1.00 0.00 H new ATOM 0 HA SER A 76 2.432 -1.982 -4.787 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.160 -3.899 -2.531 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.046 -2.553 -2.396 1.00 0.00 H new ATOM 0 HG SER A 76 0.853 -4.431 -2.799 1.00 0.00 H new ATOM 1183 N LEU A 77 5.450 -2.216 -3.532 1.00 0.00 N ATOM 1184 CA LEU A 77 6.577 -1.429 -3.031 1.00 0.00 C ATOM 1185 C LEU A 77 6.891 -0.267 -3.968 1.00 0.00 C ATOM 1186 O LEU A 77 6.814 0.897 -3.575 1.00 0.00 O ATOM 1187 CB LEU A 77 7.819 -2.309 -2.871 1.00 0.00 C ATOM 1188 CG LEU A 77 7.934 -3.039 -1.535 1.00 0.00 C ATOM 1189 CD1 LEU A 77 7.041 -4.266 -1.512 1.00 0.00 C ATOM 1190 CD2 LEU A 77 9.379 -3.423 -1.269 1.00 0.00 C ATOM 0 H LEU A 77 5.669 -3.193 -3.728 1.00 0.00 H new ATOM 0 HA LEU A 77 6.295 -1.028 -2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.826 -3.048 -3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.704 -1.687 -3.004 1.00 0.00 H new ATOM 0 HG LEU A 77 7.602 -2.366 -0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.140 -4.770 -0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.004 -3.964 -1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.337 -4.947 -2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.447 -3.943 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.734 -4.078 -2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.995 -2.524 -1.238 1.00 0.00 H new ATOM 1202 N GLU A 78 7.243 -0.590 -5.209 1.00 0.00 N ATOM 1203 CA GLU A 78 7.549 0.430 -6.207 1.00 0.00 C ATOM 1204 C GLU A 78 6.308 1.258 -6.506 1.00 0.00 C ATOM 1205 O GLU A 78 6.392 2.370 -7.028 1.00 0.00 O ATOM 1206 CB GLU A 78 8.063 -0.221 -7.493 1.00 0.00 C ATOM 1207 CG GLU A 78 9.278 -1.111 -7.283 1.00 0.00 C ATOM 1208 CD GLU A 78 9.706 -1.820 -8.553 1.00 0.00 C ATOM 1209 OE1 GLU A 78 8.970 -2.719 -9.009 1.00 0.00 O ATOM 1210 OE2 GLU A 78 10.781 -1.477 -9.091 1.00 0.00 O ATOM 0 H GLU A 78 7.323 -1.549 -5.547 1.00 0.00 H new ATOM 0 HA GLU A 78 8.326 1.083 -5.809 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.262 -0.813 -7.936 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.315 0.560 -8.210 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.106 -0.508 -6.911 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.053 -1.852 -6.516 1.00 0.00 H new ATOM 1217 N GLN A 79 5.157 0.697 -6.162 1.00 0.00 N ATOM 1218 CA GLN A 79 3.876 1.355 -6.377 1.00 0.00 C ATOM 1219 C GLN A 79 3.710 2.536 -5.426 1.00 0.00 C ATOM 1220 O GLN A 79 3.037 3.517 -5.745 1.00 0.00 O ATOM 1221 CB GLN A 79 2.752 0.343 -6.169 1.00 0.00 C ATOM 1222 CG GLN A 79 1.395 0.797 -6.668 1.00 0.00 C ATOM 1223 CD GLN A 79 0.340 -0.272 -6.472 1.00 0.00 C ATOM 1224 OE1 GLN A 79 -0.606 -0.380 -7.252 1.00 0.00 O ATOM 1225 NE2 GLN A 79 0.503 -1.072 -5.422 1.00 0.00 N ATOM 0 H GLN A 79 5.085 -0.223 -5.728 1.00 0.00 H new ATOM 0 HA GLN A 79 3.837 1.738 -7.397 1.00 0.00 H new ATOM 0 HB2 GLN A 79 3.018 -0.585 -6.674 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.677 0.117 -5.105 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.098 1.703 -6.140 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.463 1.052 -7.726 1.00 0.00 H new ATOM 0 HE21 GLN A 79 1.303 -0.944 -4.803 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.172 -1.813 -5.236 1.00 0.00 H new ATOM 1234 N ILE A 80 4.334 2.433 -4.257 1.00 0.00 N ATOM 1235 CA ILE A 80 4.265 3.485 -3.250 1.00 0.00 C ATOM 1236 C ILE A 80 5.311 4.568 -3.513 1.00 0.00 C ATOM 1237 O ILE A 80 4.972 5.734 -3.715 1.00 0.00 O ATOM 1238 CB ILE A 80 4.465 2.906 -1.833 1.00 0.00 C ATOM 1239 CG1 ILE A 80 3.264 2.036 -1.446 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.669 4.023 -0.818 1.00 0.00 C ATOM 1241 CD1 ILE A 80 3.443 1.295 -0.138 1.00 0.00 C ATOM 0 H ILE A 80 4.896 1.627 -3.983 1.00 0.00 H new ATOM 0 HA ILE A 80 3.273 3.932 -3.313 1.00 0.00 H new ATOM 0 HB ILE A 80 5.360 2.284 -1.834 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.378 2.666 -1.377 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.080 1.313 -2.240 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.808 3.593 0.174 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.551 4.604 -1.088 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.794 4.673 -0.812 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.553 0.701 0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.309 0.637 -0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.596 2.012 0.668 1.00 0.00 H new ATOM 1253 N GLY A 81 6.582 4.174 -3.508 1.00 0.00 N ATOM 1254 CA GLY A 81 7.657 5.122 -3.749 1.00 0.00 C ATOM 1255 C GLY A 81 7.831 6.109 -2.610 1.00 0.00 C ATOM 1256 O GLY A 81 6.891 6.812 -2.241 1.00 0.00 O ATOM 0 H GLY A 81 6.887 3.215 -3.341 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.589 4.578 -3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.455 5.668 -4.670 1.00 0.00 H new ATOM 1260 N GLY A 82 9.038 6.162 -2.050 1.00 0.00 N ATOM 1261 CA GLY A 82 9.309 7.077 -0.955 1.00 0.00 C ATOM 1262 C GLY A 82 10.133 6.438 0.148 1.00 0.00 C ATOM 1263 O GLY A 82 10.385 5.233 0.123 1.00 0.00 O ATOM 0 H GLY A 82 9.832 5.588 -2.335 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.837 7.951 -1.338 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.365 7.431 -0.540 1.00 0.00 H new ATOM 1267 N GLU A 83 10.549 7.249 1.118 1.00 0.00 N ATOM 1268 CA GLU A 83 11.347 6.766 2.243 1.00 0.00 C ATOM 1269 C GLU A 83 10.634 5.633 2.975 1.00 0.00 C ATOM 1270 O GLU A 83 11.261 4.834 3.671 1.00 0.00 O ATOM 1271 CB GLU A 83 11.649 7.911 3.213 1.00 0.00 C ATOM 1272 CG GLU A 83 10.407 8.574 3.792 1.00 0.00 C ATOM 1273 CD GLU A 83 9.775 9.567 2.836 1.00 0.00 C ATOM 1274 OE1 GLU A 83 10.253 10.721 2.779 1.00 0.00 O ATOM 1275 OE2 GLU A 83 8.805 9.193 2.145 1.00 0.00 O ATOM 0 H GLU A 83 10.346 8.248 1.147 1.00 0.00 H new ATOM 0 HA GLU A 83 12.286 6.379 1.847 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.260 7.529 4.031 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.243 8.664 2.696 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.676 7.807 4.048 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.671 9.085 4.718 1.00 0.00 H new ATOM 1282 N ARG A 84 9.319 5.577 2.814 1.00 0.00 N ATOM 1283 CA ARG A 84 8.504 4.554 3.452 1.00 0.00 C ATOM 1284 C ARG A 84 8.977 3.169 3.039 1.00 0.00 C ATOM 1285 O ARG A 84 9.428 2.376 3.866 1.00 0.00 O ATOM 1286 CB ARG A 84 7.027 4.718 3.069 1.00 0.00 C ATOM 1287 CG ARG A 84 6.532 6.161 3.066 1.00 0.00 C ATOM 1288 CD ARG A 84 6.761 6.837 1.722 1.00 0.00 C ATOM 1289 NE ARG A 84 5.579 6.772 0.868 1.00 0.00 N ATOM 1290 CZ ARG A 84 5.246 7.721 -0.002 1.00 0.00 C ATOM 1291 NH1 ARG A 84 5.997 8.807 -0.122 1.00 0.00 N ATOM 1292 NH2 ARG A 84 4.161 7.587 -0.752 1.00 0.00 N ATOM 0 H ARG A 84 8.791 6.235 2.241 1.00 0.00 H new ATOM 0 HA ARG A 84 8.607 4.668 4.531 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.872 4.292 2.078 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.418 4.139 3.764 1.00 0.00 H new ATOM 0 HG2 ARG A 84 5.469 6.181 3.306 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.045 6.722 3.847 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.035 7.880 1.883 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.601 6.361 1.215 1.00 0.00 H new ATOM 0 HE ARG A 84 4.975 5.953 0.943 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.832 8.916 0.454 1.00 0.00 H new ATOM 0 HH12 ARG A 84 5.740 9.534 -0.790 1.00 0.00 H new ATOM 0 HH21 ARG A 84 3.579 6.754 -0.663 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.908 8.317 -1.418 1.00 0.00 H new ATOM 1306 N VAL A 85 8.868 2.893 1.749 1.00 0.00 N ATOM 1307 CA VAL A 85 9.283 1.615 1.197 1.00 0.00 C ATOM 1308 C VAL A 85 10.799 1.482 1.210 1.00 0.00 C ATOM 1309 O VAL A 85 11.331 0.376 1.152 1.00 0.00 O ATOM 1310 CB VAL A 85 8.772 1.437 -0.240 1.00 0.00 C ATOM 1311 CG1 VAL A 85 9.025 0.021 -0.729 1.00 0.00 C ATOM 1312 CG2 VAL A 85 7.296 1.784 -0.324 1.00 0.00 C ATOM 0 H VAL A 85 8.492 3.544 1.060 1.00 0.00 H new ATOM 0 HA VAL A 85 8.849 0.838 1.826 1.00 0.00 H new ATOM 0 HB VAL A 85 9.321 2.119 -0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.655 -0.083 -1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.095 -0.185 -0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.506 -0.686 -0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.949 1.653 -1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.730 1.128 0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 85 7.148 2.821 -0.021 1.00 0.00 H new ATOM 1322 N ARG A 86 11.492 2.618 1.280 1.00 0.00 N ATOM 1323 CA ARG A 86 12.952 2.616 1.289 1.00 0.00 C ATOM 1324 C ARG A 86 13.484 1.700 2.383 1.00 0.00 C ATOM 1325 O ARG A 86 14.611 1.211 2.304 1.00 0.00 O ATOM 1326 CB ARG A 86 13.502 4.031 1.477 1.00 0.00 C ATOM 1327 CG ARG A 86 13.552 4.841 0.192 1.00 0.00 C ATOM 1328 CD ARG A 86 14.477 6.037 0.332 1.00 0.00 C ATOM 1329 NE ARG A 86 14.477 6.873 -0.863 1.00 0.00 N ATOM 1330 CZ ARG A 86 15.363 7.839 -1.085 1.00 0.00 C ATOM 1331 NH1 ARG A 86 16.321 8.079 -0.200 1.00 0.00 N ATOM 1332 NH2 ARG A 86 15.296 8.557 -2.196 1.00 0.00 N ATOM 0 H ARG A 86 11.069 3.545 1.331 1.00 0.00 H new ATOM 0 HA ARG A 86 13.289 2.240 0.323 1.00 0.00 H new ATOM 0 HB2 ARG A 86 12.885 4.558 2.205 1.00 0.00 H new ATOM 0 HB3 ARG A 86 14.506 3.969 1.896 1.00 0.00 H new ATOM 0 HG2 ARG A 86 13.893 4.208 -0.627 1.00 0.00 H new ATOM 0 HG3 ARG A 86 12.549 5.182 -0.065 1.00 0.00 H new ATOM 0 HD2 ARG A 86 14.170 6.633 1.191 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.491 5.689 0.531 1.00 0.00 H new ATOM 0 HE ARG A 86 13.758 6.707 -1.567 1.00 0.00 H new ATOM 0 HH11 ARG A 86 16.379 7.522 0.653 1.00 0.00 H new ATOM 0 HH12 ARG A 86 17.000 8.821 -0.372 1.00 0.00 H new ATOM 0 HH21 ARG A 86 14.564 8.369 -2.881 1.00 0.00 H new ATOM 0 HH22 ARG A 86 15.976 9.298 -2.366 1.00 0.00 H new ATOM 1346 N ALA A 87 12.668 1.476 3.405 1.00 0.00 N ATOM 1347 CA ALA A 87 13.052 0.605 4.506 1.00 0.00 C ATOM 1348 C ALA A 87 12.818 -0.856 4.135 1.00 0.00 C ATOM 1349 O ALA A 87 13.592 -1.737 4.508 1.00 0.00 O ATOM 1350 CB ALA A 87 12.276 0.968 5.763 1.00 0.00 C ATOM 0 H ALA A 87 11.738 1.885 3.494 1.00 0.00 H new ATOM 0 HA ALA A 87 14.115 0.743 4.705 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.574 0.308 6.578 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.489 2.001 6.037 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.208 0.855 5.577 1.00 0.00 H new ATOM 1356 N ALA A 88 11.743 -1.098 3.392 1.00 0.00 N ATOM 1357 CA ALA A 88 11.395 -2.447 2.963 1.00 0.00 C ATOM 1358 C ALA A 88 12.351 -2.968 1.897 1.00 0.00 C ATOM 1359 O ALA A 88 12.721 -4.143 1.909 1.00 0.00 O ATOM 1360 CB ALA A 88 9.964 -2.484 2.451 1.00 0.00 C ATOM 0 H ALA A 88 11.097 -0.376 3.074 1.00 0.00 H new ATOM 0 HA ALA A 88 11.483 -3.101 3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.717 -3.497 2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.285 -2.177 3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.863 -1.804 1.605 1.00 0.00 H new ATOM 1366 N MET A 89 12.753 -2.097 0.971 1.00 0.00 N ATOM 1367 CA MET A 89 13.661 -2.494 -0.094 1.00 0.00 C ATOM 1368 C MET A 89 15.001 -2.903 0.503 1.00 0.00 C ATOM 1369 O MET A 89 15.632 -3.860 0.055 1.00 0.00 O ATOM 1370 CB MET A 89 13.836 -1.353 -1.101 1.00 0.00 C ATOM 1371 CG MET A 89 14.711 -0.224 -0.591 1.00 0.00 C ATOM 1372 SD MET A 89 14.590 1.274 -1.582 1.00 0.00 S ATOM 1373 CE MET A 89 15.780 2.321 -0.745 1.00 0.00 C ATOM 0 H MET A 89 12.464 -1.119 0.940 1.00 0.00 H new ATOM 0 HA MET A 89 13.240 -3.347 -0.626 1.00 0.00 H new ATOM 0 HB2 MET A 89 14.269 -1.752 -2.018 1.00 0.00 H new ATOM 0 HB3 MET A 89 12.855 -0.954 -1.359 1.00 0.00 H new ATOM 0 HG2 MET A 89 14.433 0.006 0.438 1.00 0.00 H new ATOM 0 HG3 MET A 89 15.749 -0.557 -0.574 1.00 0.00 H new ATOM 0 HE1 MET A 89 15.747 3.323 -1.172 1.00 0.00 H new ATOM 0 HE2 MET A 89 15.538 2.371 0.317 1.00 0.00 H new ATOM 0 HE3 MET A 89 16.780 1.907 -0.870 1.00 0.00 H new ATOM 1383 N GLU A 90 15.426 -2.169 1.528 1.00 0.00 N ATOM 1384 CA GLU A 90 16.674 -2.466 2.211 1.00 0.00 C ATOM 1385 C GLU A 90 16.540 -3.783 2.961 1.00 0.00 C ATOM 1386 O GLU A 90 17.523 -4.483 3.201 1.00 0.00 O ATOM 1387 CB GLU A 90 17.033 -1.338 3.180 1.00 0.00 C ATOM 1388 CG GLU A 90 17.614 -0.112 2.495 1.00 0.00 C ATOM 1389 CD GLU A 90 18.988 -0.373 1.908 1.00 0.00 C ATOM 1390 OE1 GLU A 90 19.060 -0.864 0.762 1.00 0.00 O ATOM 1391 OE2 GLU A 90 19.992 -0.088 2.595 1.00 0.00 O ATOM 0 H GLU A 90 14.922 -1.365 1.901 1.00 0.00 H new ATOM 0 HA GLU A 90 17.473 -2.551 1.475 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.140 -1.047 3.733 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.752 -1.711 3.910 1.00 0.00 H new ATOM 0 HG2 GLU A 90 16.939 0.212 1.703 1.00 0.00 H new ATOM 0 HG3 GLU A 90 17.678 0.706 3.213 1.00 0.00 H new ATOM 1398 N LYS A 91 15.303 -4.108 3.326 1.00 0.00 N ATOM 1399 CA LYS A 91 15.013 -5.343 4.039 1.00 0.00 C ATOM 1400 C LYS A 91 15.146 -6.544 3.104 1.00 0.00 C ATOM 1401 O LYS A 91 15.695 -7.579 3.484 1.00 0.00 O ATOM 1402 CB LYS A 91 13.603 -5.286 4.632 1.00 0.00 C ATOM 1403 CG LYS A 91 13.425 -6.130 5.883 1.00 0.00 C ATOM 1404 CD LYS A 91 13.337 -7.612 5.556 1.00 0.00 C ATOM 1405 CE LYS A 91 13.045 -8.436 6.798 1.00 0.00 C ATOM 1406 NZ LYS A 91 11.761 -8.038 7.440 1.00 0.00 N ATOM 0 H LYS A 91 14.484 -3.529 3.138 1.00 0.00 H new ATOM 0 HA LYS A 91 15.733 -5.456 4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.360 -4.250 4.868 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.889 -5.617 3.878 1.00 0.00 H new ATOM 0 HG2 LYS A 91 14.261 -5.956 6.561 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.521 -5.819 6.406 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.554 -7.777 4.815 1.00 0.00 H new ATOM 0 HD3 LYS A 91 14.274 -7.944 5.109 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.006 -9.492 6.532 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.860 -8.317 7.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.513 -8.728 8.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.864 -7.096 7.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.008 -8.013 6.723 1.00 0.00 H new ATOM 1420 N LEU A 92 14.645 -6.398 1.878 1.00 0.00 N ATOM 1421 CA LEU A 92 14.714 -7.475 0.895 1.00 0.00 C ATOM 1422 C LEU A 92 16.157 -7.763 0.518 1.00 0.00 C ATOM 1423 O LEU A 92 16.535 -8.913 0.312 1.00 0.00 O ATOM 1424 CB LEU A 92 13.922 -7.128 -0.368 1.00 0.00 C ATOM 1425 CG LEU A 92 12.514 -6.573 -0.144 1.00 0.00 C ATOM 1426 CD1 LEU A 92 11.709 -6.658 -1.431 1.00 0.00 C ATOM 1427 CD2 LEU A 92 11.813 -7.323 0.977 1.00 0.00 C ATOM 0 H LEU A 92 14.189 -5.549 1.544 1.00 0.00 H new ATOM 0 HA LEU A 92 14.273 -8.361 1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.492 -6.397 -0.942 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.844 -8.025 -0.982 1.00 0.00 H new ATOM 0 HG LEU A 92 12.595 -5.526 0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.708 -6.261 -1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.204 -6.076 -2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.637 -7.699 -1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.813 -6.913 1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.738 -8.379 0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.384 -7.216 1.899 1.00 0.00 H new ATOM 1439 N ALA A 93 16.952 -6.705 0.411 1.00 0.00 N ATOM 1440 CA ALA A 93 18.358 -6.848 0.065 1.00 0.00 C ATOM 1441 C ALA A 93 19.050 -7.825 1.010 1.00 0.00 C ATOM 1442 O ALA A 93 20.010 -8.497 0.631 1.00 0.00 O ATOM 1443 CB ALA A 93 19.050 -5.495 0.088 1.00 0.00 C ATOM 0 H ALA A 93 16.647 -5.743 0.558 1.00 0.00 H new ATOM 0 HA ALA A 93 18.424 -7.251 -0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 93 20.101 -5.619 -0.173 1.00 0.00 H new ATOM 0 HB2 ALA A 93 18.573 -4.830 -0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 93 18.973 -5.064 1.086 1.00 0.00 H new ATOM 1449 N GLU A 94 18.556 -7.896 2.243 1.00 0.00 N ATOM 1450 CA GLU A 94 19.110 -8.803 3.239 1.00 0.00 C ATOM 1451 C GLU A 94 18.524 -10.198 3.069 1.00 0.00 C ATOM 1452 O GLU A 94 19.132 -11.194 3.463 1.00 0.00 O ATOM 1453 CB GLU A 94 18.832 -8.287 4.651 1.00 0.00 C ATOM 1454 CG GLU A 94 19.935 -7.397 5.192 1.00 0.00 C ATOM 1455 CD GLU A 94 19.722 -7.023 6.646 1.00 0.00 C ATOM 1456 OE1 GLU A 94 20.179 -7.781 7.527 1.00 0.00 O ATOM 1457 OE2 GLU A 94 19.100 -5.971 6.905 1.00 0.00 O ATOM 0 H GLU A 94 17.772 -7.335 2.575 1.00 0.00 H new ATOM 0 HA GLU A 94 20.189 -8.853 3.093 1.00 0.00 H new ATOM 0 HB2 GLU A 94 17.894 -7.731 4.649 1.00 0.00 H new ATOM 0 HB3 GLU A 94 18.698 -9.136 5.321 1.00 0.00 H new ATOM 0 HG2 GLU A 94 20.892 -7.908 5.089 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.991 -6.489 4.592 1.00 0.00 H new ATOM 1464 N THR A 95 17.336 -10.255 2.479 1.00 0.00 N ATOM 1465 CA THR A 95 16.654 -11.519 2.234 1.00 0.00 C ATOM 1466 C THR A 95 16.535 -11.770 0.737 1.00 0.00 C ATOM 1467 O THR A 95 15.576 -12.389 0.274 1.00 0.00 O ATOM 1468 CB THR A 95 15.244 -11.537 2.858 1.00 0.00 C ATOM 1469 OG1 THR A 95 14.527 -10.354 2.485 1.00 0.00 O ATOM 1470 CG2 THR A 95 15.323 -11.629 4.374 1.00 0.00 C ATOM 0 H THR A 95 16.822 -9.434 2.160 1.00 0.00 H new ATOM 0 HA THR A 95 17.250 -12.304 2.700 1.00 0.00 H new ATOM 0 HB THR A 95 14.718 -12.415 2.483 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.925 -9.576 2.929 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.316 -11.640 4.791 1.00 0.00 H new ATOM 0 HG22 THR A 95 15.843 -12.545 4.656 1.00 0.00 H new ATOM 0 HG23 THR A 95 15.867 -10.768 4.763 1.00 0.00 H new ATOM 1478 N GLY A 96 17.522 -11.280 -0.011 1.00 0.00 N ATOM 1479 CA GLY A 96 17.525 -11.436 -1.450 1.00 0.00 C ATOM 1480 C GLY A 96 17.188 -12.840 -1.900 1.00 0.00 C ATOM 1481 O GLY A 96 18.041 -13.728 -1.900 1.00 0.00 O ATOM 0 H GLY A 96 18.325 -10.774 0.362 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.808 -10.740 -1.885 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.507 -11.164 -1.836 1.00 0.00 H new ATOM 1485 N THR A 97 15.935 -13.033 -2.285 1.00 0.00 N ATOM 1486 CA THR A 97 15.463 -14.328 -2.752 1.00 0.00 C ATOM 1487 C THR A 97 14.397 -14.146 -3.824 1.00 0.00 C ATOM 1488 O THR A 97 13.447 -13.383 -3.644 1.00 0.00 O ATOM 1489 CB THR A 97 14.886 -15.172 -1.600 1.00 0.00 C ATOM 1490 OG1 THR A 97 15.850 -15.287 -0.545 1.00 0.00 O ATOM 1491 CG2 THR A 97 14.499 -16.561 -2.087 1.00 0.00 C ATOM 0 H THR A 97 15.222 -12.303 -2.283 1.00 0.00 H new ATOM 0 HA THR A 97 16.321 -14.856 -3.169 1.00 0.00 H new ATOM 0 HB THR A 97 13.993 -14.671 -1.226 1.00 0.00 H new ATOM 0 HG1 THR A 97 15.937 -14.425 -0.086 1.00 0.00 H new ATOM 0 HG21 THR A 97 14.094 -17.138 -1.256 1.00 0.00 H new ATOM 0 HG22 THR A 97 13.746 -16.475 -2.870 1.00 0.00 H new ATOM 0 HG23 THR A 97 15.380 -17.066 -2.484 1.00 0.00 H new ATOM 1499 N GLY A 98 14.554 -14.849 -4.939 1.00 0.00 N ATOM 1500 CA GLY A 98 13.598 -14.732 -6.021 1.00 0.00 C ATOM 1501 C GLY A 98 13.766 -13.431 -6.778 1.00 0.00 C ATOM 1502 O GLY A 98 14.884 -12.943 -6.944 1.00 0.00 O ATOM 0 H GLY A 98 15.324 -15.496 -5.112 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.720 -15.570 -6.707 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.586 -14.792 -5.621 1.00 0.00 H new ATOM 1506 N PHE A 99 12.656 -12.869 -7.239 1.00 0.00 N ATOM 1507 CA PHE A 99 12.689 -11.612 -7.975 1.00 0.00 C ATOM 1508 C PHE A 99 12.423 -10.436 -7.039 1.00 0.00 C ATOM 1509 O PHE A 99 12.692 -9.284 -7.382 1.00 0.00 O ATOM 1510 CB PHE A 99 11.673 -11.646 -9.124 1.00 0.00 C ATOM 1511 CG PHE A 99 10.415 -10.854 -8.881 1.00 0.00 C ATOM 1512 CD1 PHE A 99 9.494 -11.250 -7.920 1.00 0.00 C ATOM 1513 CD2 PHE A 99 10.155 -9.715 -9.625 1.00 0.00 C ATOM 1514 CE1 PHE A 99 8.340 -10.521 -7.708 1.00 0.00 C ATOM 1515 CE2 PHE A 99 9.000 -8.984 -9.418 1.00 0.00 C ATOM 1516 CZ PHE A 99 8.092 -9.388 -8.459 1.00 0.00 C ATOM 0 H PHE A 99 11.723 -13.263 -7.117 1.00 0.00 H new ATOM 0 HA PHE A 99 13.683 -11.480 -8.402 1.00 0.00 H new ATOM 0 HB2 PHE A 99 12.154 -11.269 -10.026 1.00 0.00 H new ATOM 0 HB3 PHE A 99 11.400 -12.683 -9.318 1.00 0.00 H new ATOM 0 HD1 PHE A 99 9.682 -12.137 -7.333 1.00 0.00 H new ATOM 0 HD2 PHE A 99 10.863 -9.394 -10.375 1.00 0.00 H new ATOM 0 HE1 PHE A 99 7.632 -10.836 -6.956 1.00 0.00 H new ATOM 0 HE2 PHE A 99 8.808 -8.098 -10.005 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.189 -8.819 -8.296 1.00 0.00 H new ATOM 1526 N ALA A 100 11.895 -10.740 -5.856 1.00 0.00 N ATOM 1527 CA ALA A 100 11.596 -9.715 -4.863 1.00 0.00 C ATOM 1528 C ALA A 100 12.843 -8.898 -4.549 1.00 0.00 C ATOM 1529 O ALA A 100 12.759 -7.723 -4.193 1.00 0.00 O ATOM 1530 CB ALA A 100 11.040 -10.350 -3.599 1.00 0.00 C ATOM 0 H ALA A 100 11.666 -11.690 -5.563 1.00 0.00 H new ATOM 0 HA ALA A 100 10.841 -9.044 -5.273 1.00 0.00 H new ATOM 0 HB1 ALA A 100 10.822 -9.572 -2.867 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.125 -10.892 -3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.774 -11.041 -3.186 1.00 0.00 H new ATOM 1536 N ARG A 101 14.000 -9.540 -4.677 1.00 0.00 N ATOM 1537 CA ARG A 101 15.275 -8.878 -4.434 1.00 0.00 C ATOM 1538 C ARG A 101 15.522 -7.819 -5.497 1.00 0.00 C ATOM 1539 O ARG A 101 15.712 -6.642 -5.186 1.00 0.00 O ATOM 1540 CB ARG A 101 16.409 -9.902 -4.449 1.00 0.00 C ATOM 1541 CG ARG A 101 17.799 -9.286 -4.365 1.00 0.00 C ATOM 1542 CD ARG A 101 17.979 -8.469 -3.096 1.00 0.00 C ATOM 1543 NE ARG A 101 19.241 -7.735 -3.091 1.00 0.00 N ATOM 1544 CZ ARG A 101 20.405 -8.270 -2.739 1.00 0.00 C ATOM 1545 NH1 ARG A 101 20.474 -9.545 -2.376 1.00 0.00 N ATOM 1546 NH2 ARG A 101 21.505 -7.529 -2.753 1.00 0.00 N ATOM 0 H ARG A 101 14.080 -10.520 -4.948 1.00 0.00 H new ATOM 0 HA ARG A 101 15.242 -8.399 -3.455 1.00 0.00 H new ATOM 0 HB2 ARG A 101 16.276 -10.589 -3.613 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.339 -10.493 -5.362 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.549 -10.076 -4.398 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.968 -8.650 -5.234 1.00 0.00 H new ATOM 0 HD2 ARG A 101 17.151 -7.767 -2.997 1.00 0.00 H new ATOM 0 HD3 ARG A 101 17.941 -9.131 -2.231 1.00 0.00 H new ATOM 0 HE ARG A 101 19.228 -6.755 -3.374 1.00 0.00 H new ATOM 0 HH11 ARG A 101 19.631 -10.119 -2.366 1.00 0.00 H new ATOM 0 HH12 ARG A 101 21.370 -9.951 -2.107 1.00 0.00 H new ATOM 0 HH21 ARG A 101 21.457 -6.550 -3.034 1.00 0.00 H new ATOM 0 HH22 ARG A 101 22.399 -7.939 -2.483 1.00 0.00 H new ATOM 1560 N LYS A 102 15.524 -8.254 -6.755 1.00 0.00 N ATOM 1561 CA LYS A 102 15.726 -7.352 -7.881 1.00 0.00 C ATOM 1562 C LYS A 102 14.806 -6.148 -7.753 1.00 0.00 C ATOM 1563 O LYS A 102 15.159 -5.030 -8.128 1.00 0.00 O ATOM 1564 CB LYS A 102 15.440 -8.089 -9.190 1.00 0.00 C ATOM 1565 CG LYS A 102 15.345 -7.173 -10.400 1.00 0.00 C ATOM 1566 CD LYS A 102 16.696 -6.585 -10.766 1.00 0.00 C ATOM 1567 CE LYS A 102 17.660 -7.651 -11.264 1.00 0.00 C ATOM 1568 NZ LYS A 102 19.003 -7.085 -11.570 1.00 0.00 N ATOM 0 H LYS A 102 15.387 -9.230 -7.018 1.00 0.00 H new ATOM 0 HA LYS A 102 16.760 -7.008 -7.882 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.227 -8.823 -9.362 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.505 -8.641 -9.089 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.949 -7.731 -11.249 1.00 0.00 H new ATOM 0 HG3 LYS A 102 14.641 -6.367 -10.192 1.00 0.00 H new ATOM 0 HD2 LYS A 102 16.565 -5.825 -11.536 1.00 0.00 H new ATOM 0 HD3 LYS A 102 17.123 -6.087 -9.896 1.00 0.00 H new ATOM 0 HE2 LYS A 102 17.758 -8.432 -10.510 1.00 0.00 H new ATOM 0 HE3 LYS A 102 17.251 -8.121 -12.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 19.631 -7.843 -11.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 18.913 -6.357 -12.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 19.404 -6.659 -10.710 1.00 0.00 H new ATOM 1582 N VAL A 103 13.619 -6.398 -7.216 1.00 0.00 N ATOM 1583 CA VAL A 103 12.622 -5.361 -7.017 1.00 0.00 C ATOM 1584 C VAL A 103 13.136 -4.277 -6.076 1.00 0.00 C ATOM 1585 O VAL A 103 13.151 -3.100 -6.426 1.00 0.00 O ATOM 1586 CB VAL A 103 11.326 -5.962 -6.441 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.406 -4.871 -5.907 1.00 0.00 C ATOM 1588 CG2 VAL A 103 10.617 -6.795 -7.495 1.00 0.00 C ATOM 0 H VAL A 103 13.323 -7.324 -6.908 1.00 0.00 H new ATOM 0 HA VAL A 103 12.415 -4.913 -7.989 1.00 0.00 H new ATOM 0 HB VAL A 103 11.593 -6.611 -5.607 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.499 -5.324 -5.507 1.00 0.00 H new ATOM 0 HG12 VAL A 103 10.916 -4.320 -5.117 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.144 -4.188 -6.715 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.703 -7.213 -7.074 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.368 -6.166 -8.349 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.271 -7.605 -7.819 1.00 0.00 H new ATOM 1598 N ALA A 104 13.558 -4.687 -4.885 1.00 0.00 N ATOM 1599 CA ALA A 104 14.060 -3.754 -3.883 1.00 0.00 C ATOM 1600 C ALA A 104 15.216 -2.917 -4.416 1.00 0.00 C ATOM 1601 O ALA A 104 15.125 -1.691 -4.483 1.00 0.00 O ATOM 1602 CB ALA A 104 14.501 -4.514 -2.647 1.00 0.00 C ATOM 0 H ALA A 104 13.562 -5.663 -4.589 1.00 0.00 H new ATOM 0 HA ALA A 104 13.248 -3.073 -3.628 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.875 -3.812 -1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.654 -5.062 -2.235 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.292 -5.215 -2.914 1.00 0.00 H new ATOM 1608 N VAL A 105 16.301 -3.587 -4.784 1.00 0.00 N ATOM 1609 CA VAL A 105 17.487 -2.911 -5.298 1.00 0.00 C ATOM 1610 C VAL A 105 17.146 -1.937 -6.422 1.00 0.00 C ATOM 1611 O VAL A 105 17.536 -0.773 -6.387 1.00 0.00 O ATOM 1612 CB VAL A 105 18.524 -3.925 -5.819 1.00 0.00 C ATOM 1613 CG1 VAL A 105 19.794 -3.219 -6.269 1.00 0.00 C ATOM 1614 CG2 VAL A 105 18.834 -4.961 -4.753 1.00 0.00 C ATOM 0 H VAL A 105 16.385 -4.602 -4.736 1.00 0.00 H new ATOM 0 HA VAL A 105 17.908 -2.352 -4.462 1.00 0.00 H new ATOM 0 HB VAL A 105 18.099 -4.436 -6.683 1.00 0.00 H new ATOM 0 HG11 VAL A 105 20.511 -3.956 -6.632 1.00 0.00 H new ATOM 0 HG12 VAL A 105 19.557 -2.518 -7.069 1.00 0.00 H new ATOM 0 HG13 VAL A 105 20.226 -2.677 -5.428 1.00 0.00 H new ATOM 0 HG21 VAL A 105 19.568 -5.670 -5.137 1.00 0.00 H new ATOM 0 HG22 VAL A 105 19.236 -4.465 -3.870 1.00 0.00 H new ATOM 0 HG23 VAL A 105 17.921 -5.493 -4.486 1.00 0.00 H new ATOM 1624 N ASN A 106 16.441 -2.429 -7.431 1.00 0.00 N ATOM 1625 CA ASN A 106 16.060 -1.609 -8.578 1.00 0.00 C ATOM 1626 C ASN A 106 14.986 -0.572 -8.235 1.00 0.00 C ATOM 1627 O ASN A 106 14.819 0.407 -8.963 1.00 0.00 O ATOM 1628 CB ASN A 106 15.562 -2.501 -9.719 1.00 0.00 C ATOM 1629 CG ASN A 106 15.255 -1.714 -10.980 1.00 0.00 C ATOM 1630 OD1 ASN A 106 15.903 -0.709 -11.272 1.00 0.00 O ATOM 1631 ND2 ASN A 106 14.260 -2.169 -11.734 1.00 0.00 N ATOM 0 H ASN A 106 16.119 -3.396 -7.481 1.00 0.00 H new ATOM 0 HA ASN A 106 16.953 -1.065 -8.886 1.00 0.00 H new ATOM 0 HB2 ASN A 106 16.316 -3.257 -9.941 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.665 -3.030 -9.397 1.00 0.00 H new ATOM 0 HD21 ASN A 106 14.007 -1.681 -12.593 1.00 0.00 H new ATOM 0 HD22 ASN A 106 13.749 -3.006 -11.454 1.00 0.00 H new ATOM 1638 N TYR A 107 14.257 -0.778 -7.138 1.00 0.00 N ATOM 1639 CA TYR A 107 13.182 0.134 -6.767 1.00 0.00 C ATOM 1640 C TYR A 107 13.705 1.529 -6.438 1.00 0.00 C ATOM 1641 O TYR A 107 13.218 2.524 -6.974 1.00 0.00 O ATOM 1642 CB TYR A 107 12.378 -0.439 -5.599 1.00 0.00 C ATOM 1643 CG TYR A 107 11.680 0.606 -4.764 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.781 1.503 -5.327 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.939 0.697 -3.412 1.00 0.00 C ATOM 1646 CE1 TYR A 107 10.159 2.462 -4.554 1.00 0.00 C ATOM 1647 CE2 TYR A 107 11.326 1.653 -2.630 1.00 0.00 C ATOM 1648 CZ TYR A 107 10.436 2.534 -3.205 1.00 0.00 C ATOM 1649 OH TYR A 107 9.826 3.492 -2.430 1.00 0.00 O ATOM 0 H TYR A 107 14.391 -1.561 -6.498 1.00 0.00 H new ATOM 0 HA TYR A 107 12.523 0.236 -7.629 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.634 -1.134 -5.989 1.00 0.00 H new ATOM 0 HB3 TYR A 107 13.047 -1.014 -4.958 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.566 1.449 -6.384 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.635 0.007 -2.958 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.460 3.152 -5.003 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.542 1.711 -1.573 1.00 0.00 H new ATOM 0 HH TYR A 107 10.436 3.772 -1.716 1.00 0.00 H new ATOM 1659 N LEU A 108 14.693 1.591 -5.551 1.00 0.00 N ATOM 1660 CA LEU A 108 15.273 2.863 -5.128 1.00 0.00 C ATOM 1661 C LEU A 108 15.701 3.722 -6.316 1.00 0.00 C ATOM 1662 O LEU A 108 15.949 4.919 -6.165 1.00 0.00 O ATOM 1663 CB LEU A 108 16.458 2.619 -4.196 1.00 0.00 C ATOM 1664 CG LEU A 108 17.415 1.512 -4.628 1.00 0.00 C ATOM 1665 CD1 LEU A 108 18.439 2.047 -5.616 1.00 0.00 C ATOM 1666 CD2 LEU A 108 18.101 0.900 -3.416 1.00 0.00 C ATOM 0 H LEU A 108 15.111 0.772 -5.109 1.00 0.00 H new ATOM 0 HA LEU A 108 14.500 3.412 -4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 108 17.022 3.547 -4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 108 16.075 2.378 -3.205 1.00 0.00 H new ATOM 0 HG LEU A 108 16.840 0.731 -5.125 1.00 0.00 H new ATOM 0 HD11 LEU A 108 19.113 1.243 -5.913 1.00 0.00 H new ATOM 0 HD12 LEU A 108 17.927 2.435 -6.497 1.00 0.00 H new ATOM 0 HD13 LEU A 108 19.013 2.847 -5.148 1.00 0.00 H new ATOM 0 HD21 LEU A 108 18.780 0.112 -3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 108 18.665 1.670 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 108 17.350 0.479 -2.747 1.00 0.00 H new ATOM 1678 N GLU A 109 15.786 3.114 -7.493 1.00 0.00 N ATOM 1679 CA GLU A 109 16.176 3.840 -8.696 1.00 0.00 C ATOM 1680 C GLU A 109 15.050 4.765 -9.155 1.00 0.00 C ATOM 1681 O GLU A 109 15.159 5.423 -10.189 1.00 0.00 O ATOM 1682 CB GLU A 109 16.538 2.863 -9.815 1.00 0.00 C ATOM 1683 CG GLU A 109 17.735 1.984 -9.496 1.00 0.00 C ATOM 1684 CD GLU A 109 19.023 2.775 -9.365 1.00 0.00 C ATOM 1685 OE1 GLU A 109 19.259 3.354 -8.284 1.00 0.00 O ATOM 1686 OE2 GLU A 109 19.796 2.816 -10.347 1.00 0.00 O ATOM 0 H GLU A 109 15.591 2.124 -7.640 1.00 0.00 H new ATOM 0 HA GLU A 109 17.051 4.446 -8.460 1.00 0.00 H new ATOM 0 HB2 GLU A 109 15.677 2.228 -10.023 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.745 3.427 -10.725 1.00 0.00 H new ATOM 0 HG2 GLU A 109 17.548 1.445 -8.567 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.851 1.236 -10.280 1.00 0.00 H new ATOM 1693 N THR A 110 13.970 4.810 -8.376 1.00 0.00 N ATOM 1694 CA THR A 110 12.823 5.650 -8.702 1.00 0.00 C ATOM 1695 C THR A 110 12.226 6.284 -7.447 1.00 0.00 C ATOM 1696 O THR A 110 11.953 7.484 -7.424 1.00 0.00 O ATOM 1697 CB THR A 110 11.723 4.846 -9.421 1.00 0.00 C ATOM 1698 OG1 THR A 110 11.315 3.739 -8.608 1.00 0.00 O ATOM 1699 CG2 THR A 110 12.213 4.338 -10.769 1.00 0.00 C ATOM 0 H THR A 110 13.867 4.273 -7.515 1.00 0.00 H new ATOM 0 HA THR A 110 13.188 6.434 -9.366 1.00 0.00 H new ATOM 0 HB THR A 110 10.873 5.507 -9.589 1.00 0.00 H new ATOM 0 HG1 THR A 110 12.094 3.373 -8.140 1.00 0.00 H new ATOM 0 HG21 THR A 110 11.418 3.774 -11.256 1.00 0.00 H new ATOM 0 HG22 THR A 110 12.494 5.184 -11.396 1.00 0.00 H new ATOM 0 HG23 THR A 110 13.078 3.692 -10.622 1.00 0.00 H new ATOM 1707 N HIS A 111 12.011 5.460 -6.417 1.00 0.00 N ATOM 1708 CA HIS A 111 11.443 5.918 -5.145 1.00 0.00 C ATOM 1709 C HIS A 111 10.260 6.858 -5.366 1.00 0.00 C ATOM 1710 O HIS A 111 9.412 6.547 -6.228 1.00 0.00 O ATOM 1711 CB HIS A 111 12.510 6.585 -4.261 1.00 0.00 C ATOM 1712 CG HIS A 111 13.204 7.757 -4.892 1.00 0.00 C ATOM 1713 ND1 HIS A 111 14.318 7.627 -5.694 1.00 0.00 N ATOM 1714 CD2 HIS A 111 12.933 9.084 -4.842 1.00 0.00 C ATOM 1715 CE1 HIS A 111 14.703 8.821 -6.109 1.00 0.00 C ATOM 1716 NE2 HIS A 111 13.879 9.721 -5.607 1.00 0.00 N ATOM 1717 OXT HIS A 111 10.185 7.892 -4.666 1.00 0.00 O ATOM 0 H HIS A 111 12.224 4.463 -6.440 1.00 0.00 H new ATOM 0 HA HIS A 111 11.076 5.035 -4.621 1.00 0.00 H new ATOM 0 HB2 HIS A 111 12.040 6.914 -3.334 1.00 0.00 H new ATOM 0 HB3 HIS A 111 13.258 5.839 -3.992 1.00 0.00 H new ATOM 0 HD1 HIS A 111 14.774 6.746 -5.930 1.00 0.00 H new ATOM 0 HD2 HIS A 111 12.124 9.553 -4.301 1.00 0.00 H new ATOM 0 HE1 HIS A 111 15.548 9.025 -6.750 1.00 0.00 H new