USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 512 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 Single : A 30 GLN : amide:sc= -0.863 K(o=-0.86,f=-3.6!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -159:sc= -0.0341 (180deg=-0.655) USER MOD Single : A 35 ASN : amide:sc= -0.108 K(o=-0.11,f=-2.1!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.105 X(o=-0.11,f=-0.17) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 153:sc= 0 (180deg=-1.02) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -2.87! C(o=-2.9!,f=-6.1!) USER MOD Single : A 46 MET CE :methyl -136:sc= -1.07 (180deg=-2.34!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 143:sc= 0 (180deg=-0.658) USER MOD Single : A 57 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0501) USER MOD Single : A 59 THR OG1 : rot -172:sc= 0.00766 USER MOD Single : A 62 GLN : amide:sc= -0.0745 X(o=-0.075,f=-0.075) USER MOD Single : A 64 HIS : no HD1:sc= -0.186 X(o=-0.19,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.23) USER MOD Single : A 66 GLN : amide:sc= -0.581 K(o=-0.58,f=0.023) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -24:sc= 0.287 USER MOD Single : A 75 ASN : amide:sc= -2.84 K(o=-2.8,f=-4.2!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.0617 K(o=-0.062,f=-1.3) USER MOD Single : A 83 GLN : amide:sc= -1.6 K(o=-1.6,f=-4.6!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -1.2 X(o=-1.2,f=-1) USER MOD ----------------------------------------------------------------- ATOM 397 N GLU A 28 7.171 7.789 3.356 1.00 0.00 N ATOM 398 CA GLU A 28 6.034 8.648 3.668 1.00 0.00 C ATOM 399 C GLU A 28 5.110 8.785 2.461 1.00 0.00 C ATOM 400 O GLU A 28 5.550 9.137 1.366 1.00 0.00 O ATOM 401 CB GLU A 28 6.517 10.029 4.115 1.00 0.00 C ATOM 402 CG GLU A 28 5.403 10.926 4.628 1.00 0.00 C ATOM 403 CD GLU A 28 4.864 10.476 5.971 1.00 0.00 C ATOM 404 OE1 GLU A 28 5.659 9.969 6.790 1.00 0.00 O ATOM 405 OE2 GLU A 28 3.647 10.630 6.205 1.00 0.00 O ATOM 0 HA GLU A 28 5.475 8.187 4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.264 9.907 4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.011 10.521 3.277 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.774 11.947 4.713 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.591 10.942 3.901 1.00 0.00 H new ATOM 412 N TRP A 29 3.829 8.506 2.670 1.00 0.00 N ATOM 413 CA TRP A 29 2.842 8.598 1.600 1.00 0.00 C ATOM 414 C TRP A 29 1.742 9.590 1.958 1.00 0.00 C ATOM 415 O TRP A 29 0.984 9.375 2.904 1.00 0.00 O ATOM 416 CB TRP A 29 2.234 7.222 1.319 1.00 0.00 C ATOM 417 CG TRP A 29 3.138 6.323 0.532 1.00 0.00 C ATOM 418 CD1 TRP A 29 4.195 5.602 1.009 1.00 0.00 C ATOM 419 CD2 TRP A 29 3.065 6.051 -0.872 1.00 0.00 C ATOM 420 NE1 TRP A 29 4.784 4.898 -0.014 1.00 0.00 N ATOM 421 CE2 TRP A 29 4.109 5.155 -1.178 1.00 0.00 C ATOM 422 CE3 TRP A 29 2.218 6.474 -1.900 1.00 0.00 C ATOM 423 CZ2 TRP A 29 4.327 4.679 -2.468 1.00 0.00 C ATOM 424 CZ3 TRP A 29 2.436 6.001 -3.180 1.00 0.00 C ATOM 425 CH2 TRP A 29 3.483 5.110 -3.455 1.00 0.00 C ATOM 0 H TRP A 29 3.449 8.214 3.570 1.00 0.00 H new ATOM 0 HA TRP A 29 3.348 8.954 0.703 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.989 6.741 2.266 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.298 7.350 0.775 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.520 5.587 2.039 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.593 4.284 0.079 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.407 7.158 -1.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.134 3.994 -2.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.789 6.323 -3.982 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.626 4.757 -4.466 1.00 0.00 H new ATOM 436 N GLN A 30 1.659 10.676 1.196 1.00 0.00 N ATOM 437 CA GLN A 30 0.651 11.702 1.435 1.00 0.00 C ATOM 438 C GLN A 30 -0.225 11.901 0.202 1.00 0.00 C ATOM 439 O GLN A 30 0.212 11.672 -0.926 1.00 0.00 O ATOM 440 CB GLN A 30 1.318 13.023 1.820 1.00 0.00 C ATOM 441 CG GLN A 30 2.352 12.883 2.925 1.00 0.00 C ATOM 442 CD GLN A 30 2.812 14.222 3.467 1.00 0.00 C ATOM 443 OE1 GLN A 30 2.058 14.923 4.143 1.00 0.00 O ATOM 444 NE2 GLN A 30 4.056 14.584 3.174 1.00 0.00 N ATOM 0 H GLN A 30 2.278 10.868 0.408 1.00 0.00 H new ATOM 0 HA GLN A 30 0.019 11.370 2.258 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.796 13.449 0.938 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.551 13.728 2.139 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.931 12.291 3.738 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.213 12.334 2.544 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.646 13.972 2.611 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.421 15.474 3.512 1.00 0.00 H new ATOM 453 N TYR A 31 -1.463 12.328 0.426 1.00 0.00 N ATOM 454 CA TYR A 31 -2.402 12.556 -0.667 1.00 0.00 C ATOM 455 C TYR A 31 -2.878 14.005 -0.683 1.00 0.00 C ATOM 456 O TYR A 31 -3.090 14.612 0.368 1.00 0.00 O ATOM 457 CB TYR A 31 -3.601 11.615 -0.541 1.00 0.00 C ATOM 458 CG TYR A 31 -4.433 11.856 0.698 1.00 0.00 C ATOM 459 CD1 TYR A 31 -3.972 11.479 1.953 1.00 0.00 C ATOM 460 CD2 TYR A 31 -5.681 12.460 0.613 1.00 0.00 C ATOM 461 CE1 TYR A 31 -4.729 11.698 3.088 1.00 0.00 C ATOM 462 CE2 TYR A 31 -6.445 12.684 1.743 1.00 0.00 C ATOM 463 CZ TYR A 31 -5.964 12.301 2.977 1.00 0.00 C ATOM 464 OH TYR A 31 -6.722 12.520 4.105 1.00 0.00 O ATOM 0 H TYR A 31 -1.840 12.523 1.354 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.885 12.352 -1.605 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.234 11.727 -1.421 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.245 10.585 -0.534 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.005 11.006 2.043 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -6.061 12.760 -0.353 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.356 11.399 4.056 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.413 13.156 1.660 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.564 12.954 3.854 1.00 0.00 H new ATOM 474 N ILE A 32 -3.045 14.553 -1.882 1.00 0.00 N ATOM 475 CA ILE A 32 -3.498 15.930 -2.036 1.00 0.00 C ATOM 476 C ILE A 32 -5.007 15.992 -2.242 1.00 0.00 C ATOM 477 O ILE A 32 -5.515 15.619 -3.300 1.00 0.00 O ATOM 478 CB ILE A 32 -2.800 16.623 -3.221 1.00 0.00 C ATOM 479 CG1 ILE A 32 -1.374 17.024 -2.837 1.00 0.00 C ATOM 480 CG2 ILE A 32 -3.596 17.840 -3.666 1.00 0.00 C ATOM 481 CD1 ILE A 32 -0.341 15.968 -3.163 1.00 0.00 C ATOM 0 H ILE A 32 -2.873 14.065 -2.761 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.238 16.453 -1.116 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.749 15.922 -4.054 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.113 17.948 -3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.340 17.236 -1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.090 18.319 -4.504 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.594 17.529 -3.974 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.675 18.545 -2.839 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.646 16.320 -2.864 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.577 15.050 -2.625 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.347 15.772 -4.235 1.00 0.00 H new ATOM 493 N ASP A 33 -5.719 16.467 -1.226 1.00 0.00 N ATOM 494 CA ASP A 33 -7.171 16.582 -1.297 1.00 0.00 C ATOM 495 C ASP A 33 -7.581 17.751 -2.186 1.00 0.00 C ATOM 496 O ASP A 33 -6.754 18.586 -2.553 1.00 0.00 O ATOM 497 CB ASP A 33 -7.759 16.759 0.104 1.00 0.00 C ATOM 498 CG ASP A 33 -9.268 16.903 0.084 1.00 0.00 C ATOM 499 OD1 ASP A 33 -9.938 16.052 -0.537 1.00 0.00 O ATOM 500 OD2 ASP A 33 -9.779 17.868 0.691 1.00 0.00 O ATOM 0 H ASP A 33 -5.314 16.779 -0.343 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.563 15.663 -1.733 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.487 15.902 0.720 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.319 17.640 0.571 1.00 0.00 H new ATOM 505 N LYS A 34 -8.863 17.805 -2.530 1.00 0.00 N ATOM 506 CA LYS A 34 -9.385 18.872 -3.376 1.00 0.00 C ATOM 507 C LYS A 34 -8.561 20.146 -3.215 1.00 0.00 C ATOM 508 O LYS A 34 -7.814 20.530 -4.114 1.00 0.00 O ATOM 509 CB LYS A 34 -10.850 19.153 -3.033 1.00 0.00 C ATOM 510 CG LYS A 34 -11.749 17.935 -3.162 1.00 0.00 C ATOM 511 CD LYS A 34 -13.172 18.245 -2.731 1.00 0.00 C ATOM 512 CE LYS A 34 -13.351 18.068 -1.231 1.00 0.00 C ATOM 513 NZ LYS A 34 -13.138 16.656 -0.809 1.00 0.00 N ATOM 0 H LYS A 34 -9.561 17.122 -2.236 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.318 18.545 -4.414 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.909 19.532 -2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.223 19.941 -3.688 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.748 17.589 -4.196 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.352 17.123 -2.553 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.423 19.268 -3.010 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.864 17.591 -3.261 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.650 18.714 -0.703 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.354 18.385 -0.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.599 16.495 0.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.548 16.016 -1.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.119 16.470 -0.722 1.00 0.00 H new ATOM 527 N ASN A 35 -8.702 20.795 -2.065 1.00 0.00 N ATOM 528 CA ASN A 35 -7.970 22.025 -1.786 1.00 0.00 C ATOM 529 C ASN A 35 -7.158 21.896 -0.501 1.00 0.00 C ATOM 530 O ASN A 35 -6.758 22.897 0.095 1.00 0.00 O ATOM 531 CB ASN A 35 -8.938 23.205 -1.675 1.00 0.00 C ATOM 532 CG ASN A 35 -8.275 24.529 -2.003 1.00 0.00 C ATOM 533 OD1 ASN A 35 -7.183 24.566 -2.570 1.00 0.00 O ATOM 534 ND2 ASN A 35 -8.935 25.625 -1.647 1.00 0.00 N ATOM 0 H ASN A 35 -9.317 20.490 -1.310 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.282 22.204 -2.612 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.779 23.046 -2.350 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.343 23.245 -0.664 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.539 26.545 -1.842 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.838 25.547 -1.179 1.00 0.00 H new ATOM 541 N ILE A 36 -6.918 20.659 -0.081 1.00 0.00 N ATOM 542 CA ILE A 36 -6.153 20.399 1.132 1.00 0.00 C ATOM 543 C ILE A 36 -5.083 19.339 0.890 1.00 0.00 C ATOM 544 O ILE A 36 -5.215 18.498 0.000 1.00 0.00 O ATOM 545 CB ILE A 36 -7.064 19.939 2.285 1.00 0.00 C ATOM 546 CG1 ILE A 36 -8.202 20.940 2.495 1.00 0.00 C ATOM 547 CG2 ILE A 36 -6.257 19.772 3.563 1.00 0.00 C ATOM 548 CD1 ILE A 36 -9.403 20.683 1.611 1.00 0.00 C ATOM 0 H ILE A 36 -7.242 19.821 -0.563 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.675 21.338 1.411 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.497 18.974 2.023 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.515 20.908 3.538 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.830 21.947 2.305 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.915 19.447 4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.478 19.026 3.407 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.799 20.724 3.831 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.170 21.430 1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.104 20.744 0.565 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.801 19.689 1.817 1.00 0.00 H new ATOM 560 N THR A 37 -4.022 19.384 1.690 1.00 0.00 N ATOM 561 CA THR A 37 -2.930 18.428 1.565 1.00 0.00 C ATOM 562 C THR A 37 -2.707 17.673 2.871 1.00 0.00 C ATOM 563 O THR A 37 -2.053 18.176 3.784 1.00 0.00 O ATOM 564 CB THR A 37 -1.618 19.124 1.157 1.00 0.00 C ATOM 565 OG1 THR A 37 -1.850 19.994 0.043 1.00 0.00 O ATOM 566 CG2 THR A 37 -0.552 18.101 0.794 1.00 0.00 C ATOM 0 H THR A 37 -3.896 20.073 2.432 1.00 0.00 H new ATOM 0 HA THR A 37 -3.216 17.722 0.785 1.00 0.00 H new ATOM 0 HB THR A 37 -1.264 19.708 2.006 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.011 20.434 -0.209 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.365 18.617 0.509 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.356 17.459 1.653 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.900 17.493 -0.041 1.00 0.00 H new ATOM 574 N GLN A 38 -3.253 16.464 2.951 1.00 0.00 N ATOM 575 CA GLN A 38 -3.112 15.641 4.146 1.00 0.00 C ATOM 576 C GLN A 38 -2.253 14.413 3.863 1.00 0.00 C ATOM 577 O GLN A 38 -1.819 14.194 2.731 1.00 0.00 O ATOM 578 CB GLN A 38 -4.488 15.209 4.657 1.00 0.00 C ATOM 579 CG GLN A 38 -5.314 16.353 5.222 1.00 0.00 C ATOM 580 CD GLN A 38 -4.666 17.001 6.430 1.00 0.00 C ATOM 581 OE1 GLN A 38 -3.972 18.010 6.309 1.00 0.00 O ATOM 582 NE2 GLN A 38 -4.891 16.422 7.603 1.00 0.00 N ATOM 0 H GLN A 38 -3.797 16.033 2.203 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.618 16.238 4.912 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.039 14.742 3.841 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.358 14.450 5.429 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.463 17.105 4.447 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.300 15.981 5.499 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.473 15.586 7.656 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.482 16.813 8.452 1.00 0.00 H new ATOM 591 N CYS A 39 -2.011 13.616 4.898 1.00 0.00 N ATOM 592 CA CYS A 39 -1.201 12.410 4.761 1.00 0.00 C ATOM 593 C CYS A 39 -1.948 11.191 5.292 1.00 0.00 C ATOM 594 O CYS A 39 -2.867 11.317 6.102 1.00 0.00 O ATOM 595 CB CYS A 39 0.125 12.574 5.504 1.00 0.00 C ATOM 596 SG CYS A 39 -0.051 12.804 7.289 1.00 0.00 S ATOM 0 H CYS A 39 -2.364 13.783 5.840 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.998 12.256 3.701 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.743 11.695 5.321 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.658 13.430 5.089 1.00 0.00 H new ATOM 0 HG CYS A 39 1.125 12.931 7.828 1.00 0.00 H new ATOM 602 N PHE A 40 -1.549 10.011 4.830 1.00 0.00 N ATOM 603 CA PHE A 40 -2.182 8.769 5.256 1.00 0.00 C ATOM 604 C PHE A 40 -1.684 8.351 6.637 1.00 0.00 C ATOM 605 O PHE A 40 -0.710 8.901 7.151 1.00 0.00 O ATOM 606 CB PHE A 40 -1.904 7.656 4.243 1.00 0.00 C ATOM 607 CG PHE A 40 -2.595 7.859 2.925 1.00 0.00 C ATOM 608 CD1 PHE A 40 -3.923 7.500 2.762 1.00 0.00 C ATOM 609 CD2 PHE A 40 -1.916 8.410 1.850 1.00 0.00 C ATOM 610 CE1 PHE A 40 -4.561 7.685 1.549 1.00 0.00 C ATOM 611 CE2 PHE A 40 -2.549 8.598 0.635 1.00 0.00 C ATOM 612 CZ PHE A 40 -3.873 8.236 0.485 1.00 0.00 C ATOM 0 H PHE A 40 -0.790 9.889 4.160 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.257 8.939 5.312 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.829 7.589 4.074 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.220 6.703 4.667 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.466 7.071 3.591 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.881 8.696 1.962 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.596 7.399 1.434 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.008 9.027 -0.196 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.370 8.383 -0.462 1.00 0.00 H new ATOM 622 N ASP A 41 -2.361 7.375 7.232 1.00 0.00 N ATOM 623 CA ASP A 41 -1.989 6.882 8.553 1.00 0.00 C ATOM 624 C ASP A 41 -0.803 5.925 8.462 1.00 0.00 C ATOM 625 O ASP A 41 -0.281 5.668 7.377 1.00 0.00 O ATOM 626 CB ASP A 41 -3.177 6.179 9.212 1.00 0.00 C ATOM 627 CG ASP A 41 -4.379 7.091 9.359 1.00 0.00 C ATOM 628 OD1 ASP A 41 -4.181 8.304 9.579 1.00 0.00 O ATOM 629 OD2 ASP A 41 -5.519 6.591 9.252 1.00 0.00 O ATOM 0 H ASP A 41 -3.170 6.910 6.821 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.698 7.737 9.164 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.455 5.308 8.618 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.880 5.813 10.195 1.00 0.00 H new ATOM 634 N LYS A 42 -0.383 5.402 9.609 1.00 0.00 N ATOM 635 CA LYS A 42 0.741 4.474 9.660 1.00 0.00 C ATOM 636 C LYS A 42 0.361 3.126 9.056 1.00 0.00 C ATOM 637 O LYS A 42 1.203 2.429 8.491 1.00 0.00 O ATOM 638 CB LYS A 42 1.207 4.285 11.105 1.00 0.00 C ATOM 639 CG LYS A 42 0.183 3.592 11.988 1.00 0.00 C ATOM 640 CD LYS A 42 0.729 3.343 13.385 1.00 0.00 C ATOM 641 CE LYS A 42 0.624 4.586 14.254 1.00 0.00 C ATOM 642 NZ LYS A 42 1.653 4.599 15.330 1.00 0.00 N ATOM 0 H LYS A 42 -0.804 5.605 10.516 1.00 0.00 H new ATOM 0 HA LYS A 42 1.557 4.897 9.074 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.129 3.704 11.108 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.443 5.260 11.532 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.717 4.203 12.052 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.107 2.644 11.535 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.180 2.525 13.851 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.771 3.031 13.319 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.737 5.474 13.632 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.369 4.634 14.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.548 5.462 15.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.529 3.765 15.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.601 4.579 14.904 1.00 0.00 H new ATOM 656 N MET A 43 -0.912 2.765 9.179 1.00 0.00 N ATOM 657 CA MET A 43 -1.403 1.501 8.643 1.00 0.00 C ATOM 658 C MET A 43 -1.544 1.572 7.126 1.00 0.00 C ATOM 659 O MET A 43 -1.141 0.654 6.410 1.00 0.00 O ATOM 660 CB MET A 43 -2.749 1.143 9.275 1.00 0.00 C ATOM 661 CG MET A 43 -2.705 1.059 10.792 1.00 0.00 C ATOM 662 SD MET A 43 -3.067 2.636 11.587 1.00 0.00 S ATOM 663 CE MET A 43 -2.704 2.246 13.296 1.00 0.00 C ATOM 0 H MET A 43 -1.622 3.330 9.645 1.00 0.00 H new ATOM 0 HA MET A 43 -0.677 0.725 8.887 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.488 1.888 8.982 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.085 0.186 8.876 1.00 0.00 H new ATOM 0 HG2 MET A 43 -3.423 0.312 11.131 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.718 0.717 11.104 1.00 0.00 H new ATOM 0 HE1 MET A 43 -2.411 3.154 13.822 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.590 1.823 13.769 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.889 1.523 13.339 1.00 0.00 H new ATOM 673 N THR A 44 -2.118 2.669 6.640 1.00 0.00 N ATOM 674 CA THR A 44 -2.313 2.859 5.208 1.00 0.00 C ATOM 675 C THR A 44 -1.007 3.244 4.522 1.00 0.00 C ATOM 676 O THR A 44 -0.733 2.815 3.402 1.00 0.00 O ATOM 677 CB THR A 44 -3.368 3.944 4.924 1.00 0.00 C ATOM 678 OG1 THR A 44 -4.607 3.600 5.555 1.00 0.00 O ATOM 679 CG2 THR A 44 -3.585 4.109 3.427 1.00 0.00 C ATOM 0 H THR A 44 -2.456 3.439 7.217 1.00 0.00 H new ATOM 0 HA THR A 44 -2.664 1.908 4.808 1.00 0.00 H new ATOM 0 HB THR A 44 -3.004 4.888 5.329 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.272 4.296 5.371 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.334 4.881 3.251 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.647 4.399 2.953 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.929 3.166 3.003 1.00 0.00 H new ATOM 687 N ASN A 45 -0.204 4.056 5.202 1.00 0.00 N ATOM 688 CA ASN A 45 1.074 4.499 4.657 1.00 0.00 C ATOM 689 C ASN A 45 1.801 3.348 3.968 1.00 0.00 C ATOM 690 O ASN A 45 2.315 3.499 2.860 1.00 0.00 O ATOM 691 CB ASN A 45 1.952 5.079 5.767 1.00 0.00 C ATOM 692 CG ASN A 45 3.408 5.187 5.357 1.00 0.00 C ATOM 693 OD1 ASN A 45 4.018 4.207 4.928 1.00 0.00 O ATOM 694 ND2 ASN A 45 3.973 6.381 5.487 1.00 0.00 N ATOM 0 H ASN A 45 -0.416 4.420 6.131 1.00 0.00 H new ATOM 0 HA ASN A 45 0.875 5.274 3.917 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.581 6.066 6.041 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.873 4.451 6.654 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.950 6.514 5.227 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.430 7.166 5.847 1.00 0.00 H new ATOM 701 N MET A 46 1.837 2.197 4.632 1.00 0.00 N ATOM 702 CA MET A 46 2.499 1.019 4.083 1.00 0.00 C ATOM 703 C MET A 46 1.681 0.418 2.944 1.00 0.00 C ATOM 704 O MET A 46 2.233 -0.037 1.942 1.00 0.00 O ATOM 705 CB MET A 46 2.717 -0.027 5.178 1.00 0.00 C ATOM 706 CG MET A 46 1.519 -0.936 5.396 1.00 0.00 C ATOM 707 SD MET A 46 1.719 -2.017 6.826 1.00 0.00 S ATOM 708 CE MET A 46 1.123 -0.955 8.139 1.00 0.00 C ATOM 0 H MET A 46 1.416 2.055 5.550 1.00 0.00 H new ATOM 0 HA MET A 46 3.467 1.327 3.688 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.583 -0.636 4.920 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.952 0.481 6.113 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.625 -0.327 5.528 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.362 -1.544 4.505 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.794 -1.024 8.995 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.089 0.076 7.786 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.123 -1.270 8.436 1.00 0.00 H new ATOM 718 N LYS A 47 0.362 0.418 3.105 1.00 0.00 N ATOM 719 CA LYS A 47 -0.533 -0.127 2.091 1.00 0.00 C ATOM 720 C LYS A 47 -0.215 0.453 0.716 1.00 0.00 C ATOM 721 O LYS A 47 -0.423 -0.199 -0.308 1.00 0.00 O ATOM 722 CB LYS A 47 -1.990 0.168 2.455 1.00 0.00 C ATOM 723 CG LYS A 47 -2.500 -0.649 3.630 1.00 0.00 C ATOM 724 CD LYS A 47 -4.018 -0.669 3.678 1.00 0.00 C ATOM 725 CE LYS A 47 -4.527 -1.319 4.955 1.00 0.00 C ATOM 726 NZ LYS A 47 -4.392 -2.802 4.915 1.00 0.00 N ATOM 0 H LYS A 47 -0.111 0.790 3.929 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.385 -1.206 2.054 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.090 1.228 2.689 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.619 -0.027 1.587 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.124 -1.669 3.555 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.111 -0.233 4.560 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.399 0.350 3.611 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.403 -1.211 2.814 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.973 -0.927 5.808 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.573 -1.054 5.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.750 -3.207 5.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.941 -3.179 4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.390 -3.056 4.797 1.00 0.00 H new ATOM 740 N LEU A 48 0.292 1.681 0.700 1.00 0.00 N ATOM 741 CA LEU A 48 0.641 2.348 -0.549 1.00 0.00 C ATOM 742 C LEU A 48 2.044 1.957 -1.003 1.00 0.00 C ATOM 743 O LEU A 48 2.225 1.415 -2.092 1.00 0.00 O ATOM 744 CB LEU A 48 0.552 3.866 -0.382 1.00 0.00 C ATOM 745 CG LEU A 48 -0.844 4.432 -0.118 1.00 0.00 C ATOM 746 CD1 LEU A 48 -0.771 5.926 0.156 1.00 0.00 C ATOM 747 CD2 LEU A 48 -1.766 4.148 -1.295 1.00 0.00 C ATOM 0 H LEU A 48 0.470 2.235 1.538 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.069 2.030 -1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.203 4.159 0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.948 4.334 -1.283 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.253 3.941 0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.774 6.311 0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.146 6.105 1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.341 6.434 -0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.755 4.558 -1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.361 4.611 -2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.844 3.071 -1.445 1.00 0.00 H new ATOM 759 N GLU A 49 3.032 2.233 -0.158 1.00 0.00 N ATOM 760 CA GLU A 49 4.418 1.908 -0.472 1.00 0.00 C ATOM 761 C GLU A 49 4.542 0.467 -0.958 1.00 0.00 C ATOM 762 O GLU A 49 5.178 0.196 -1.977 1.00 0.00 O ATOM 763 CB GLU A 49 5.307 2.122 0.755 1.00 0.00 C ATOM 764 CG GLU A 49 5.412 0.900 1.651 1.00 0.00 C ATOM 765 CD GLU A 49 6.364 1.108 2.813 1.00 0.00 C ATOM 766 OE1 GLU A 49 7.524 1.499 2.566 1.00 0.00 O ATOM 767 OE2 GLU A 49 5.949 0.881 3.969 1.00 0.00 O ATOM 0 H GLU A 49 2.898 2.681 0.749 1.00 0.00 H new ATOM 0 HA GLU A 49 4.748 2.573 -1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.306 2.406 0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.914 2.956 1.337 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.423 0.651 2.036 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.747 0.048 1.059 1.00 0.00 H new ATOM 774 N VAL A 50 3.931 -0.455 -0.221 1.00 0.00 N ATOM 775 CA VAL A 50 3.971 -1.868 -0.575 1.00 0.00 C ATOM 776 C VAL A 50 3.609 -2.078 -2.042 1.00 0.00 C ATOM 777 O VAL A 50 4.291 -2.807 -2.761 1.00 0.00 O ATOM 778 CB VAL A 50 3.012 -2.695 0.302 1.00 0.00 C ATOM 779 CG1 VAL A 50 3.448 -2.650 1.758 1.00 0.00 C ATOM 780 CG2 VAL A 50 1.584 -2.193 0.148 1.00 0.00 C ATOM 0 H VAL A 50 3.402 -0.248 0.626 1.00 0.00 H new ATOM 0 HA VAL A 50 4.992 -2.208 -0.403 1.00 0.00 H new ATOM 0 HB VAL A 50 3.046 -3.733 -0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.759 -3.240 2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.454 -3.061 1.850 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.445 -1.617 2.107 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.920 -2.788 0.774 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.531 -1.148 0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.277 -2.283 -0.894 1.00 0.00 H new ATOM 790 N ALA A 51 2.533 -1.432 -2.478 1.00 0.00 N ATOM 791 CA ALA A 51 2.082 -1.545 -3.859 1.00 0.00 C ATOM 792 C ALA A 51 3.101 -0.944 -4.821 1.00 0.00 C ATOM 793 O ALA A 51 3.301 -1.451 -5.925 1.00 0.00 O ATOM 794 CB ALA A 51 0.730 -0.868 -4.030 1.00 0.00 C ATOM 0 H ALA A 51 1.957 -0.825 -1.895 1.00 0.00 H new ATOM 0 HA ALA A 51 1.979 -2.604 -4.095 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.405 -0.960 -5.066 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.001 -1.345 -3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.816 0.187 -3.769 1.00 0.00 H new ATOM 800 N TRP A 52 3.743 0.138 -4.395 1.00 0.00 N ATOM 801 CA TRP A 52 4.742 0.808 -5.219 1.00 0.00 C ATOM 802 C TRP A 52 6.022 -0.016 -5.301 1.00 0.00 C ATOM 803 O TRP A 52 6.738 0.027 -6.302 1.00 0.00 O ATOM 804 CB TRP A 52 5.050 2.196 -4.656 1.00 0.00 C ATOM 805 CG TRP A 52 5.882 3.039 -5.575 1.00 0.00 C ATOM 806 CD1 TRP A 52 5.469 4.132 -6.283 1.00 0.00 C ATOM 807 CD2 TRP A 52 7.267 2.856 -5.887 1.00 0.00 C ATOM 808 NE1 TRP A 52 6.515 4.639 -7.016 1.00 0.00 N ATOM 809 CE2 TRP A 52 7.629 3.875 -6.790 1.00 0.00 C ATOM 810 CE3 TRP A 52 8.237 1.932 -5.490 1.00 0.00 C ATOM 811 CZ2 TRP A 52 8.919 3.993 -7.301 1.00 0.00 C ATOM 812 CZ3 TRP A 52 9.517 2.050 -5.999 1.00 0.00 C ATOM 813 CH2 TRP A 52 9.849 3.074 -6.895 1.00 0.00 C ATOM 0 H TRP A 52 3.589 0.570 -3.484 1.00 0.00 H new ATOM 0 HA TRP A 52 4.335 0.914 -6.225 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.113 2.713 -4.450 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.570 2.087 -3.704 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.468 4.538 -6.269 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.469 5.453 -7.629 1.00 0.00 H new ATOM 0 HE3 TRP A 52 7.991 1.140 -4.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.177 4.781 -7.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 10.274 1.340 -5.700 1.00 0.00 H new ATOM 0 HH2 TRP A 52 10.859 3.140 -7.273 1.00 0.00 H new ATOM 824 N LYS A 53 6.306 -0.767 -4.242 1.00 0.00 N ATOM 825 CA LYS A 53 7.499 -1.604 -4.195 1.00 0.00 C ATOM 826 C LYS A 53 7.265 -2.929 -4.913 1.00 0.00 C ATOM 827 O LYS A 53 8.173 -3.477 -5.537 1.00 0.00 O ATOM 828 CB LYS A 53 7.907 -1.864 -2.743 1.00 0.00 C ATOM 829 CG LYS A 53 8.472 -0.641 -2.041 1.00 0.00 C ATOM 830 CD LYS A 53 9.960 -0.484 -2.305 1.00 0.00 C ATOM 831 CE LYS A 53 10.223 0.416 -3.503 1.00 0.00 C ATOM 832 NZ LYS A 53 11.599 0.983 -3.480 1.00 0.00 N ATOM 0 H LYS A 53 5.726 -0.813 -3.404 1.00 0.00 H new ATOM 0 HA LYS A 53 8.304 -1.074 -4.704 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.039 -2.222 -2.189 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.650 -2.661 -2.720 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.945 0.251 -2.381 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.299 -0.724 -0.968 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.445 -0.067 -1.422 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.405 -1.464 -2.480 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.080 -0.152 -4.422 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.496 1.228 -3.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.738 1.590 -4.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.728 1.546 -2.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.294 0.209 -3.496 1.00 0.00 H new ATOM 846 N ALA A 54 6.040 -3.437 -4.821 1.00 0.00 N ATOM 847 CA ALA A 54 5.686 -4.696 -5.465 1.00 0.00 C ATOM 848 C ALA A 54 5.491 -4.509 -6.966 1.00 0.00 C ATOM 849 O ALA A 54 5.048 -5.422 -7.664 1.00 0.00 O ATOM 850 CB ALA A 54 4.427 -5.275 -4.836 1.00 0.00 C ATOM 0 H ALA A 54 5.277 -2.996 -4.307 1.00 0.00 H new ATOM 0 HA ALA A 54 6.509 -5.396 -5.316 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.174 -6.215 -5.327 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.600 -5.455 -3.775 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.604 -4.571 -4.955 1.00 0.00 H new ATOM 856 N LYS A 55 5.823 -3.320 -7.457 1.00 0.00 N ATOM 857 CA LYS A 55 5.686 -3.012 -8.876 1.00 0.00 C ATOM 858 C LYS A 55 4.226 -3.090 -9.311 1.00 0.00 C ATOM 859 O LYS A 55 3.921 -3.506 -10.429 1.00 0.00 O ATOM 860 CB LYS A 55 6.530 -3.977 -9.712 1.00 0.00 C ATOM 861 CG LYS A 55 8.024 -3.727 -9.605 1.00 0.00 C ATOM 862 CD LYS A 55 8.748 -4.121 -10.882 1.00 0.00 C ATOM 863 CE LYS A 55 10.250 -3.914 -10.757 1.00 0.00 C ATOM 864 NZ LYS A 55 10.932 -5.118 -10.207 1.00 0.00 N ATOM 0 H LYS A 55 6.189 -2.553 -6.893 1.00 0.00 H new ATOM 0 HA LYS A 55 6.041 -1.994 -9.037 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.318 -4.999 -9.397 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.231 -3.897 -10.757 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.203 -2.673 -9.394 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.429 -4.293 -8.766 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.541 -5.166 -11.111 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.366 -3.531 -11.715 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.666 -3.676 -11.736 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.446 -3.059 -10.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.954 -4.937 -10.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.553 -5.331 -9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.766 -5.929 -10.837 1.00 0.00 H new ATOM 878 N LYS A 56 3.326 -2.686 -8.420 1.00 0.00 N ATOM 879 CA LYS A 56 1.898 -2.706 -8.712 1.00 0.00 C ATOM 880 C LYS A 56 1.491 -1.483 -9.528 1.00 0.00 C ATOM 881 O LYS A 56 2.248 -0.518 -9.639 1.00 0.00 O ATOM 882 CB LYS A 56 1.091 -2.756 -7.412 1.00 0.00 C ATOM 883 CG LYS A 56 1.346 -4.004 -6.585 1.00 0.00 C ATOM 884 CD LYS A 56 0.433 -5.145 -7.002 1.00 0.00 C ATOM 885 CE LYS A 56 0.707 -6.402 -6.192 1.00 0.00 C ATOM 886 NZ LYS A 56 1.947 -7.094 -6.642 1.00 0.00 N ATOM 0 H LYS A 56 3.561 -2.341 -7.489 1.00 0.00 H new ATOM 0 HA LYS A 56 1.686 -3.599 -9.299 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.330 -1.878 -6.812 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.029 -2.700 -7.651 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.386 -4.310 -6.697 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.191 -3.780 -5.530 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.607 -4.846 -6.872 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.574 -5.356 -8.062 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.799 -6.141 -5.138 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.140 -7.082 -6.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.442 -7.490 -5.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.698 -7.862 -7.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.568 -6.414 -7.125 1.00 0.00 H new ATOM 900 N LYS A 57 0.292 -1.530 -10.098 1.00 0.00 N ATOM 901 CA LYS A 57 -0.217 -0.426 -10.902 1.00 0.00 C ATOM 902 C LYS A 57 -1.161 0.452 -10.086 1.00 0.00 C ATOM 903 O LYS A 57 -1.241 1.662 -10.302 1.00 0.00 O ATOM 904 CB LYS A 57 -0.943 -0.960 -12.139 1.00 0.00 C ATOM 905 CG LYS A 57 -0.055 -1.067 -13.367 1.00 0.00 C ATOM 906 CD LYS A 57 -0.087 0.209 -14.191 1.00 0.00 C ATOM 907 CE LYS A 57 0.185 -0.070 -15.661 1.00 0.00 C ATOM 908 NZ LYS A 57 -0.989 -0.690 -16.335 1.00 0.00 N ATOM 0 H LYS A 57 -0.346 -2.322 -10.018 1.00 0.00 H new ATOM 0 HA LYS A 57 0.632 0.180 -11.219 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.355 -1.943 -11.912 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.785 -0.306 -12.366 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.969 -1.277 -13.059 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.382 -1.906 -13.981 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.060 0.688 -14.084 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.656 0.909 -13.809 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.443 0.861 -16.165 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.047 -0.731 -15.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.844 -0.678 -17.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.096 -1.673 -16.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.848 -0.153 -16.100 1.00 0.00 H new ATOM 922 N ASP A 58 -1.871 -0.164 -9.148 1.00 0.00 N ATOM 923 CA ASP A 58 -2.807 0.563 -8.297 1.00 0.00 C ATOM 924 C ASP A 58 -3.157 -0.252 -7.056 1.00 0.00 C ATOM 925 O ASP A 58 -3.250 -1.479 -7.110 1.00 0.00 O ATOM 926 CB ASP A 58 -4.079 0.902 -9.076 1.00 0.00 C ATOM 927 CG ASP A 58 -4.599 -0.276 -9.876 1.00 0.00 C ATOM 928 OD1 ASP A 58 -4.129 -0.473 -11.016 1.00 0.00 O ATOM 929 OD2 ASP A 58 -5.476 -1.001 -9.362 1.00 0.00 O ATOM 0 H ASP A 58 -1.817 -1.165 -8.957 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.328 1.489 -7.978 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.850 1.234 -8.381 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.878 1.735 -9.750 1.00 0.00 H new ATOM 934 N THR A 59 -3.350 0.439 -5.936 1.00 0.00 N ATOM 935 CA THR A 59 -3.688 -0.220 -4.681 1.00 0.00 C ATOM 936 C THR A 59 -4.924 0.407 -4.046 1.00 0.00 C ATOM 937 O THR A 59 -5.024 1.629 -3.932 1.00 0.00 O ATOM 938 CB THR A 59 -2.520 -0.152 -3.679 1.00 0.00 C ATOM 939 OG1 THR A 59 -2.864 -0.852 -2.478 1.00 0.00 O ATOM 940 CG2 THR A 59 -2.173 1.292 -3.349 1.00 0.00 C ATOM 0 H THR A 59 -3.278 1.455 -5.873 1.00 0.00 H new ATOM 0 HA THR A 59 -3.894 -1.264 -4.918 1.00 0.00 H new ATOM 0 HB THR A 59 -1.650 -0.622 -4.137 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.174 -0.696 -1.799 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.346 1.314 -2.640 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.883 1.814 -4.261 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.041 1.783 -2.910 1.00 0.00 H new ATOM 948 N VAL A 60 -5.864 -0.437 -3.632 1.00 0.00 N ATOM 949 CA VAL A 60 -7.094 0.035 -3.007 1.00 0.00 C ATOM 950 C VAL A 60 -6.873 0.352 -1.532 1.00 0.00 C ATOM 951 O VAL A 60 -6.197 -0.391 -0.821 1.00 0.00 O ATOM 952 CB VAL A 60 -8.223 -1.004 -3.134 1.00 0.00 C ATOM 953 CG1 VAL A 60 -9.243 -0.824 -2.020 1.00 0.00 C ATOM 954 CG2 VAL A 60 -8.889 -0.902 -4.498 1.00 0.00 C ATOM 0 H VAL A 60 -5.797 -1.451 -3.718 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.387 0.944 -3.532 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.789 -1.999 -3.039 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.033 -1.567 -2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.753 -0.951 -1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.674 0.175 -2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.685 -1.643 -4.571 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.310 0.096 -4.624 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.150 -1.085 -5.278 1.00 0.00 H new ATOM 964 N VAL A 61 -7.450 1.460 -1.078 1.00 0.00 N ATOM 965 CA VAL A 61 -7.318 1.875 0.314 1.00 0.00 C ATOM 966 C VAL A 61 -8.588 2.562 0.805 1.00 0.00 C ATOM 967 O VAL A 61 -9.338 3.137 0.017 1.00 0.00 O ATOM 968 CB VAL A 61 -6.125 2.831 0.504 1.00 0.00 C ATOM 969 CG1 VAL A 61 -4.825 2.148 0.106 1.00 0.00 C ATOM 970 CG2 VAL A 61 -6.333 4.108 -0.296 1.00 0.00 C ATOM 0 H VAL A 61 -8.013 2.086 -1.653 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.147 0.971 0.899 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.059 3.097 1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.993 2.838 0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.673 1.265 0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.876 1.850 -0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.481 4.772 -0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.425 3.863 -1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.242 4.605 0.042 1.00 0.00 H new ATOM 980 N GLN A 62 -8.821 2.497 2.112 1.00 0.00 N ATOM 981 CA GLN A 62 -10.001 3.113 2.708 1.00 0.00 C ATOM 982 C GLN A 62 -9.755 4.589 3.001 1.00 0.00 C ATOM 983 O GLN A 62 -9.046 4.935 3.947 1.00 0.00 O ATOM 984 CB GLN A 62 -10.387 2.383 3.996 1.00 0.00 C ATOM 985 CG GLN A 62 -10.959 0.994 3.759 1.00 0.00 C ATOM 986 CD GLN A 62 -9.883 -0.067 3.637 1.00 0.00 C ATOM 987 OE1 GLN A 62 -9.226 -0.417 4.617 1.00 0.00 O ATOM 988 NE2 GLN A 62 -9.697 -0.585 2.428 1.00 0.00 N ATOM 0 H GLN A 62 -8.209 2.025 2.778 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.821 3.035 1.994 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.508 2.301 4.635 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.120 2.981 4.538 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.627 0.735 4.580 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.560 1.003 2.850 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.265 -0.265 1.643 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.987 -1.303 2.284 1.00 0.00 H new ATOM 997 N ILE A 63 -10.344 5.456 2.184 1.00 0.00 N ATOM 998 CA ILE A 63 -10.189 6.895 2.356 1.00 0.00 C ATOM 999 C ILE A 63 -11.535 7.566 2.609 1.00 0.00 C ATOM 1000 O ILE A 63 -12.475 7.410 1.829 1.00 0.00 O ATOM 1001 CB ILE A 63 -9.529 7.542 1.124 1.00 0.00 C ATOM 1002 CG1 ILE A 63 -8.069 7.098 1.009 1.00 0.00 C ATOM 1003 CG2 ILE A 63 -9.623 9.058 1.208 1.00 0.00 C ATOM 1004 CD1 ILE A 63 -7.348 7.697 -0.178 1.00 0.00 C ATOM 0 H ILE A 63 -10.933 5.187 1.396 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.544 7.042 3.222 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.060 7.214 0.230 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.541 7.374 1.922 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.033 6.011 0.935 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.152 9.501 0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.671 9.356 1.247 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.113 9.405 2.107 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.319 7.339 -0.197 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.852 7.400 -1.098 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.353 8.784 -0.096 1.00 0.00 H new ATOM 1016 N HIS A 64 -11.620 8.315 3.704 1.00 0.00 N ATOM 1017 CA HIS A 64 -12.851 9.013 4.059 1.00 0.00 C ATOM 1018 C HIS A 64 -13.984 8.023 4.309 1.00 0.00 C ATOM 1019 O HIS A 64 -15.152 8.329 4.074 1.00 0.00 O ATOM 1020 CB HIS A 64 -13.247 9.989 2.950 1.00 0.00 C ATOM 1021 CG HIS A 64 -12.336 11.173 2.841 1.00 0.00 C ATOM 1022 ND1 HIS A 64 -12.725 12.373 2.285 1.00 0.00 N ATOM 1023 CD2 HIS A 64 -11.048 11.337 3.223 1.00 0.00 C ATOM 1024 CE1 HIS A 64 -11.715 13.224 2.328 1.00 0.00 C ATOM 1025 NE2 HIS A 64 -10.685 12.620 2.893 1.00 0.00 N ATOM 0 H HIS A 64 -10.852 8.454 4.360 1.00 0.00 H new ATOM 0 HA HIS A 64 -12.671 9.572 4.977 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.257 9.459 1.997 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.264 10.338 3.131 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.422 10.597 3.699 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.729 14.240 1.963 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.769 13.038 3.057 1.00 0.00 H new ATOM 1034 N ASN A 65 -13.630 6.834 4.788 1.00 0.00 N ATOM 1035 CA ASN A 65 -14.618 5.799 5.069 1.00 0.00 C ATOM 1036 C ASN A 65 -15.195 5.232 3.776 1.00 0.00 C ATOM 1037 O ASN A 65 -16.333 4.764 3.746 1.00 0.00 O ATOM 1038 CB ASN A 65 -15.743 6.361 5.940 1.00 0.00 C ATOM 1039 CG ASN A 65 -15.220 7.197 7.093 1.00 0.00 C ATOM 1040 OD1 ASN A 65 -14.474 6.707 7.941 1.00 0.00 O ATOM 1041 ND2 ASN A 65 -15.610 8.465 7.128 1.00 0.00 N ATOM 0 H ASN A 65 -12.667 6.564 4.989 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.120 4.993 5.607 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.405 6.970 5.325 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.340 5.538 6.333 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -15.290 9.076 7.879 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.229 8.828 6.403 1.00 0.00 H new ATOM 1048 N GLN A 66 -14.403 5.278 2.710 1.00 0.00 N ATOM 1049 CA GLN A 66 -14.836 4.770 1.414 1.00 0.00 C ATOM 1050 C GLN A 66 -13.660 4.183 0.639 1.00 0.00 C ATOM 1051 O GLN A 66 -12.582 4.774 0.586 1.00 0.00 O ATOM 1052 CB GLN A 66 -15.493 5.885 0.599 1.00 0.00 C ATOM 1053 CG GLN A 66 -14.878 7.255 0.834 1.00 0.00 C ATOM 1054 CD GLN A 66 -15.788 8.386 0.399 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -15.367 9.299 -0.312 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -17.045 8.332 0.824 1.00 0.00 N ATOM 0 H GLN A 66 -13.458 5.662 2.718 1.00 0.00 H new ATOM 0 HA GLN A 66 -15.565 3.979 1.587 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -15.420 5.640 -0.461 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -16.554 5.926 0.844 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.646 7.368 1.893 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.935 7.324 0.292 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -17.352 7.557 1.412 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -17.704 9.066 0.563 1.00 0.00 H new ATOM 1065 N ASP A 67 -13.877 3.017 0.040 1.00 0.00 N ATOM 1066 CA ASP A 67 -12.835 2.350 -0.733 1.00 0.00 C ATOM 1067 C ASP A 67 -12.406 3.207 -1.920 1.00 0.00 C ATOM 1068 O ASP A 67 -13.241 3.673 -2.696 1.00 0.00 O ATOM 1069 CB ASP A 67 -13.328 0.988 -1.223 1.00 0.00 C ATOM 1070 CG ASP A 67 -14.800 1.000 -1.586 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -15.148 1.590 -2.631 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -15.603 0.420 -0.827 1.00 0.00 O ATOM 0 H ASP A 67 -14.764 2.514 0.075 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.972 2.203 -0.083 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.745 0.686 -2.093 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.154 0.242 -0.448 1.00 0.00 H new ATOM 1077 N PHE A 68 -11.100 3.411 -2.055 1.00 0.00 N ATOM 1078 CA PHE A 68 -10.561 4.214 -3.146 1.00 0.00 C ATOM 1079 C PHE A 68 -9.449 3.464 -3.875 1.00 0.00 C ATOM 1080 O PHE A 68 -8.800 2.585 -3.306 1.00 0.00 O ATOM 1081 CB PHE A 68 -10.028 5.546 -2.613 1.00 0.00 C ATOM 1082 CG PHE A 68 -11.035 6.659 -2.668 1.00 0.00 C ATOM 1083 CD1 PHE A 68 -12.283 6.512 -2.083 1.00 0.00 C ATOM 1084 CD2 PHE A 68 -10.734 7.853 -3.303 1.00 0.00 C ATOM 1085 CE1 PHE A 68 -13.211 7.534 -2.133 1.00 0.00 C ATOM 1086 CE2 PHE A 68 -11.658 8.879 -3.356 1.00 0.00 C ATOM 1087 CZ PHE A 68 -12.898 8.720 -2.769 1.00 0.00 C ATOM 0 H PHE A 68 -10.395 3.031 -1.423 1.00 0.00 H new ATOM 0 HA PHE A 68 -11.368 4.410 -3.852 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.703 5.412 -1.581 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.149 5.833 -3.190 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -12.533 5.588 -1.583 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.765 7.983 -3.762 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.181 7.406 -1.675 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -11.411 9.804 -3.856 1.00 0.00 H new ATOM 0 HZ PHE A 68 -13.621 9.521 -2.807 1.00 0.00 H new ATOM 1097 N THR A 69 -9.235 3.817 -5.139 1.00 0.00 N ATOM 1098 CA THR A 69 -8.205 3.178 -5.947 1.00 0.00 C ATOM 1099 C THR A 69 -7.019 4.111 -6.165 1.00 0.00 C ATOM 1100 O THR A 69 -7.105 5.073 -6.928 1.00 0.00 O ATOM 1101 CB THR A 69 -8.756 2.739 -7.316 1.00 0.00 C ATOM 1102 OG1 THR A 69 -9.915 1.917 -7.137 1.00 0.00 O ATOM 1103 CG2 THR A 69 -7.703 1.974 -8.104 1.00 0.00 C ATOM 0 H THR A 69 -9.762 4.543 -5.625 1.00 0.00 H new ATOM 0 HA THR A 69 -7.875 2.297 -5.397 1.00 0.00 H new ATOM 0 HB THR A 69 -9.028 3.633 -7.877 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.260 1.643 -8.012 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.116 1.674 -9.067 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.834 2.612 -8.264 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.404 1.087 -7.546 1.00 0.00 H new ATOM 1111 N VAL A 70 -5.911 3.821 -5.489 1.00 0.00 N ATOM 1112 CA VAL A 70 -4.707 4.634 -5.611 1.00 0.00 C ATOM 1113 C VAL A 70 -3.804 4.114 -6.724 1.00 0.00 C ATOM 1114 O VAL A 70 -3.128 3.097 -6.565 1.00 0.00 O ATOM 1115 CB VAL A 70 -3.913 4.661 -4.291 1.00 0.00 C ATOM 1116 CG1 VAL A 70 -2.632 5.464 -4.456 1.00 0.00 C ATOM 1117 CG2 VAL A 70 -4.767 5.229 -3.168 1.00 0.00 C ATOM 0 H VAL A 70 -5.823 3.029 -4.852 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.031 5.646 -5.853 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.642 3.638 -4.029 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.084 5.472 -3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.015 5.009 -5.231 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.878 6.487 -4.742 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.191 5.241 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.070 6.245 -3.420 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.653 4.608 -3.035 1.00 0.00 H new ATOM 1127 N ASP A 71 -3.797 4.819 -7.850 1.00 0.00 N ATOM 1128 CA ASP A 71 -2.975 4.431 -8.990 1.00 0.00 C ATOM 1129 C ASP A 71 -1.536 4.904 -8.809 1.00 0.00 C ATOM 1130 O ASP A 71 -1.269 6.105 -8.749 1.00 0.00 O ATOM 1131 CB ASP A 71 -3.555 5.005 -10.283 1.00 0.00 C ATOM 1132 CG ASP A 71 -3.258 4.133 -11.488 1.00 0.00 C ATOM 1133 OD1 ASP A 71 -3.966 3.121 -11.677 1.00 0.00 O ATOM 1134 OD2 ASP A 71 -2.320 4.464 -12.242 1.00 0.00 O ATOM 0 H ASP A 71 -4.351 5.662 -7.998 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.975 3.343 -9.053 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.634 5.116 -10.176 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.147 6.002 -10.450 1.00 0.00 H new ATOM 1139 N LEU A 72 -0.612 3.954 -8.723 1.00 0.00 N ATOM 1140 CA LEU A 72 0.800 4.273 -8.547 1.00 0.00 C ATOM 1141 C LEU A 72 1.426 4.716 -9.866 1.00 0.00 C ATOM 1142 O LEU A 72 2.271 5.611 -9.894 1.00 0.00 O ATOM 1143 CB LEU A 72 1.553 3.061 -7.995 1.00 0.00 C ATOM 1144 CG LEU A 72 0.969 2.427 -6.732 1.00 0.00 C ATOM 1145 CD1 LEU A 72 1.311 0.946 -6.671 1.00 0.00 C ATOM 1146 CD2 LEU A 72 1.476 3.145 -5.490 1.00 0.00 C ATOM 0 H LEU A 72 -0.815 2.956 -8.772 1.00 0.00 H new ATOM 0 HA LEU A 72 0.875 5.095 -7.835 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.596 2.299 -8.774 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.580 3.361 -7.786 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.116 2.527 -6.767 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.887 0.512 -5.766 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.897 0.441 -7.544 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.394 0.823 -6.660 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.050 2.680 -4.601 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.563 3.077 -5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.179 4.193 -5.529 1.00 0.00 H new ATOM 1158 N SER A 73 1.003 4.086 -10.957 1.00 0.00 N ATOM 1159 CA SER A 73 1.523 4.414 -12.279 1.00 0.00 C ATOM 1160 C SER A 73 1.593 5.925 -12.476 1.00 0.00 C ATOM 1161 O SER A 73 2.527 6.442 -13.089 1.00 0.00 O ATOM 1162 CB SER A 73 0.647 3.786 -13.365 1.00 0.00 C ATOM 1163 OG SER A 73 1.395 3.536 -14.542 1.00 0.00 O ATOM 0 H SER A 73 0.302 3.346 -10.952 1.00 0.00 H new ATOM 0 HA SER A 73 2.532 4.008 -12.356 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.219 2.853 -12.997 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.186 4.450 -13.594 1.00 0.00 H new ATOM 0 HG SER A 73 0.813 3.133 -15.220 1.00 0.00 H new ATOM 1169 N THR A 74 0.595 6.630 -11.952 1.00 0.00 N ATOM 1170 CA THR A 74 0.540 8.082 -12.070 1.00 0.00 C ATOM 1171 C THR A 74 0.521 8.745 -10.697 1.00 0.00 C ATOM 1172 O THR A 74 0.786 9.939 -10.570 1.00 0.00 O ATOM 1173 CB THR A 74 -0.699 8.535 -12.863 1.00 0.00 C ATOM 1174 OG1 THR A 74 -0.659 9.952 -13.068 1.00 0.00 O ATOM 1175 CG2 THR A 74 -1.978 8.159 -12.131 1.00 0.00 C ATOM 0 H THR A 74 -0.186 6.219 -11.442 1.00 0.00 H new ATOM 0 HA THR A 74 1.438 8.389 -12.607 1.00 0.00 H new ATOM 0 HB THR A 74 -0.690 8.029 -13.828 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.102 10.367 -12.377 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.840 8.490 -12.711 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.020 7.077 -12.004 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.993 8.640 -11.153 1.00 0.00 H new ATOM 1183 N ASN A 75 0.205 7.961 -9.671 1.00 0.00 N ATOM 1184 CA ASN A 75 0.152 8.473 -8.306 1.00 0.00 C ATOM 1185 C ASN A 75 -1.097 9.323 -8.093 1.00 0.00 C ATOM 1186 O ASN A 75 -1.012 10.479 -7.676 1.00 0.00 O ATOM 1187 CB ASN A 75 1.403 9.298 -7.999 1.00 0.00 C ATOM 1188 CG ASN A 75 2.642 8.742 -8.673 1.00 0.00 C ATOM 1189 OD1 ASN A 75 2.903 7.540 -8.623 1.00 0.00 O ATOM 1190 ND2 ASN A 75 3.413 9.617 -9.309 1.00 0.00 N ATOM 0 H ASN A 75 -0.018 6.970 -9.759 1.00 0.00 H new ATOM 0 HA ASN A 75 0.111 7.622 -7.626 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.246 10.326 -8.325 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.561 9.326 -6.921 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.260 9.301 -9.782 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.158 10.604 -9.325 1.00 0.00 H new ATOM 1197 N THR A 76 -2.258 8.743 -8.382 1.00 0.00 N ATOM 1198 CA THR A 76 -3.525 9.447 -8.223 1.00 0.00 C ATOM 1199 C THR A 76 -4.613 8.510 -7.712 1.00 0.00 C ATOM 1200 O THR A 76 -4.718 7.366 -8.153 1.00 0.00 O ATOM 1201 CB THR A 76 -3.987 10.078 -9.550 1.00 0.00 C ATOM 1202 OG1 THR A 76 -2.973 10.953 -10.056 1.00 0.00 O ATOM 1203 CG2 THR A 76 -5.283 10.852 -9.358 1.00 0.00 C ATOM 0 H THR A 76 -2.347 7.787 -8.727 1.00 0.00 H new ATOM 0 HA THR A 76 -3.358 10.238 -7.492 1.00 0.00 H new ATOM 0 HB THR A 76 -4.164 9.276 -10.266 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.274 11.349 -10.900 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.590 11.289 -10.308 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.061 10.177 -9.001 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.128 11.646 -8.627 1.00 0.00 H new ATOM 1211 N ALA A 77 -5.423 9.003 -6.781 1.00 0.00 N ATOM 1212 CA ALA A 77 -6.506 8.210 -6.212 1.00 0.00 C ATOM 1213 C ALA A 77 -7.841 8.563 -6.858 1.00 0.00 C ATOM 1214 O ALA A 77 -8.087 9.716 -7.212 1.00 0.00 O ATOM 1215 CB ALA A 77 -6.575 8.415 -4.706 1.00 0.00 C ATOM 0 H ALA A 77 -5.350 9.948 -6.405 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.300 7.159 -6.415 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.388 7.817 -4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.633 8.107 -4.253 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.754 9.468 -4.490 1.00 0.00 H new ATOM 1221 N THR A 78 -8.703 7.562 -7.009 1.00 0.00 N ATOM 1222 CA THR A 78 -10.013 7.766 -7.614 1.00 0.00 C ATOM 1223 C THR A 78 -11.053 6.834 -7.001 1.00 0.00 C ATOM 1224 O THR A 78 -10.746 5.699 -6.637 1.00 0.00 O ATOM 1225 CB THR A 78 -9.971 7.537 -9.136 1.00 0.00 C ATOM 1226 OG1 THR A 78 -8.965 8.368 -9.728 1.00 0.00 O ATOM 1227 CG2 THR A 78 -11.322 7.840 -9.767 1.00 0.00 C ATOM 0 H THR A 78 -8.517 6.602 -6.720 1.00 0.00 H new ATOM 0 HA THR A 78 -10.294 8.801 -7.417 1.00 0.00 H new ATOM 0 HB THR A 78 -9.730 6.489 -9.317 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.943 8.216 -10.696 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.267 7.671 -10.842 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.080 7.187 -9.335 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.588 8.880 -9.576 1.00 0.00 H new ATOM 1235 N ALA A 79 -12.284 7.321 -6.889 1.00 0.00 N ATOM 1236 CA ALA A 79 -13.370 6.531 -6.322 1.00 0.00 C ATOM 1237 C ALA A 79 -14.642 6.670 -7.152 1.00 0.00 C ATOM 1238 O ALA A 79 -14.865 7.676 -7.826 1.00 0.00 O ATOM 1239 CB ALA A 79 -13.629 6.947 -4.882 1.00 0.00 C ATOM 0 H ALA A 79 -12.554 8.259 -7.184 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.070 5.483 -6.338 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.442 6.349 -4.471 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.728 6.789 -4.290 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.903 8.002 -4.852 1.00 0.00 H new ATOM 1245 N PRO A 80 -15.496 5.637 -7.105 1.00 0.00 N ATOM 1246 CA PRO A 80 -16.760 5.621 -7.847 1.00 0.00 C ATOM 1247 C PRO A 80 -17.774 6.613 -7.287 1.00 0.00 C ATOM 1248 O PRO A 80 -18.903 6.699 -7.769 1.00 0.00 O ATOM 1249 CB PRO A 80 -17.260 4.186 -7.666 1.00 0.00 C ATOM 1250 CG PRO A 80 -16.632 3.724 -6.396 1.00 0.00 C ATOM 1251 CD PRO A 80 -15.294 4.406 -6.323 1.00 0.00 C ATOM 0 HA PRO A 80 -16.624 5.911 -8.889 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.348 4.150 -7.606 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -16.966 3.555 -8.505 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -17.250 3.985 -5.537 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.518 2.640 -6.389 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -15.011 4.626 -5.294 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.503 3.786 -6.746 1.00 0.00 H new ATOM 1259 N GLN A 81 -17.364 7.359 -6.266 1.00 0.00 N ATOM 1260 CA GLN A 81 -18.238 8.344 -5.640 1.00 0.00 C ATOM 1261 C GLN A 81 -18.161 9.681 -6.370 1.00 0.00 C ATOM 1262 O GLN A 81 -19.164 10.378 -6.517 1.00 0.00 O ATOM 1263 CB GLN A 81 -17.862 8.529 -4.169 1.00 0.00 C ATOM 1264 CG GLN A 81 -17.851 7.233 -3.376 1.00 0.00 C ATOM 1265 CD GLN A 81 -19.215 6.574 -3.316 1.00 0.00 C ATOM 1266 OE1 GLN A 81 -20.239 7.220 -3.537 1.00 0.00 O ATOM 1267 NE2 GLN A 81 -19.235 5.280 -3.015 1.00 0.00 N ATOM 0 H GLN A 81 -16.432 7.300 -5.855 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.262 7.976 -5.702 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.876 8.990 -4.110 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.566 9.222 -3.707 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -17.138 6.542 -3.826 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -17.504 7.435 -2.362 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -18.361 4.784 -2.839 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -20.124 4.783 -2.960 1.00 0.00 H new ATOM 1276 N GLY A 82 -16.962 10.033 -6.824 1.00 0.00 N ATOM 1277 CA GLY A 82 -16.776 11.287 -7.533 1.00 0.00 C ATOM 1278 C GLY A 82 -15.696 12.149 -6.911 1.00 0.00 C ATOM 1279 O GLY A 82 -15.777 13.377 -6.946 1.00 0.00 O ATOM 0 H GLY A 82 -16.116 9.473 -6.714 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -16.518 11.079 -8.571 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -17.716 11.838 -7.543 1.00 0.00 H new ATOM 1283 N GLN A 83 -14.683 11.506 -6.339 1.00 0.00 N ATOM 1284 CA GLN A 83 -13.584 12.224 -5.704 1.00 0.00 C ATOM 1285 C GLN A 83 -12.239 11.644 -6.129 1.00 0.00 C ATOM 1286 O GLN A 83 -12.066 10.426 -6.191 1.00 0.00 O ATOM 1287 CB GLN A 83 -13.720 12.165 -4.182 1.00 0.00 C ATOM 1288 CG GLN A 83 -14.773 13.112 -3.628 1.00 0.00 C ATOM 1289 CD GLN A 83 -16.145 12.472 -3.540 1.00 0.00 C ATOM 1290 OE1 GLN A 83 -16.911 12.484 -4.504 1.00 0.00 O ATOM 1291 NE2 GLN A 83 -16.462 11.909 -2.381 1.00 0.00 N ATOM 0 H GLN A 83 -14.601 10.490 -6.302 1.00 0.00 H new ATOM 0 HA GLN A 83 -13.629 13.265 -6.025 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.969 11.146 -3.887 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -12.757 12.401 -3.730 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -14.469 13.448 -2.637 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -14.829 13.997 -4.261 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -15.796 11.922 -1.608 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -17.372 11.463 -2.263 1.00 0.00 H new ATOM 1300 N THR A 84 -11.286 12.525 -6.421 1.00 0.00 N ATOM 1301 CA THR A 84 -9.957 12.101 -6.841 1.00 0.00 C ATOM 1302 C THR A 84 -8.874 12.925 -6.154 1.00 0.00 C ATOM 1303 O THR A 84 -9.049 14.119 -5.911 1.00 0.00 O ATOM 1304 CB THR A 84 -9.785 12.220 -8.367 1.00 0.00 C ATOM 1305 OG1 THR A 84 -9.819 13.598 -8.758 1.00 0.00 O ATOM 1306 CG2 THR A 84 -10.879 11.454 -9.096 1.00 0.00 C ATOM 0 H THR A 84 -11.411 13.536 -6.374 1.00 0.00 H new ATOM 0 HA THR A 84 -9.853 11.055 -6.551 1.00 0.00 H new ATOM 0 HB THR A 84 -8.820 11.790 -8.637 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.707 13.665 -9.729 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.737 11.553 -10.172 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.832 10.401 -8.819 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.853 11.859 -8.820 1.00 0.00 H new ATOM 1314 N PHE A 85 -7.754 12.281 -5.843 1.00 0.00 N ATOM 1315 CA PHE A 85 -6.642 12.955 -5.183 1.00 0.00 C ATOM 1316 C PHE A 85 -5.313 12.562 -5.820 1.00 0.00 C ATOM 1317 O PHE A 85 -5.263 11.707 -6.705 1.00 0.00 O ATOM 1318 CB PHE A 85 -6.626 12.615 -3.691 1.00 0.00 C ATOM 1319 CG PHE A 85 -7.981 12.279 -3.138 1.00 0.00 C ATOM 1320 CD1 PHE A 85 -8.918 13.275 -2.912 1.00 0.00 C ATOM 1321 CD2 PHE A 85 -8.318 10.968 -2.842 1.00 0.00 C ATOM 1322 CE1 PHE A 85 -10.166 12.969 -2.404 1.00 0.00 C ATOM 1323 CE2 PHE A 85 -9.564 10.656 -2.334 1.00 0.00 C ATOM 1324 CZ PHE A 85 -10.490 11.658 -2.113 1.00 0.00 C ATOM 0 H PHE A 85 -7.592 11.293 -6.038 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.778 14.030 -5.302 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.956 11.771 -3.526 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.216 13.460 -3.138 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.670 14.302 -3.136 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.598 10.181 -3.010 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.888 13.754 -2.235 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -9.815 9.630 -2.110 1.00 0.00 H new ATOM 0 HZ PHE A 85 -11.464 11.417 -1.714 1.00 0.00 H new ATOM 1334 N THR A 86 -4.235 13.194 -5.364 1.00 0.00 N ATOM 1335 CA THR A 86 -2.905 12.913 -5.890 1.00 0.00 C ATOM 1336 C THR A 86 -1.971 12.422 -4.789 1.00 0.00 C ATOM 1337 O THR A 86 -1.779 13.097 -3.777 1.00 0.00 O ATOM 1338 CB THR A 86 -2.288 14.159 -6.552 1.00 0.00 C ATOM 1339 OG1 THR A 86 -3.147 14.636 -7.594 1.00 0.00 O ATOM 1340 CG2 THR A 86 -0.915 13.844 -7.125 1.00 0.00 C ATOM 0 H THR A 86 -4.258 13.904 -4.632 1.00 0.00 H new ATOM 0 HA THR A 86 -3.021 12.131 -6.641 1.00 0.00 H new ATOM 0 HB THR A 86 -2.178 14.931 -5.790 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.749 15.429 -8.009 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.499 14.739 -7.587 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.255 13.509 -6.325 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.005 13.057 -7.874 1.00 0.00 H new ATOM 1348 N VAL A 87 -1.392 11.244 -4.993 1.00 0.00 N ATOM 1349 CA VAL A 87 -0.476 10.663 -4.018 1.00 0.00 C ATOM 1350 C VAL A 87 0.975 10.948 -4.390 1.00 0.00 C ATOM 1351 O VAL A 87 1.324 11.002 -5.568 1.00 0.00 O ATOM 1352 CB VAL A 87 -0.675 9.140 -3.898 1.00 0.00 C ATOM 1353 CG1 VAL A 87 -1.878 8.826 -3.022 1.00 0.00 C ATOM 1354 CG2 VAL A 87 -0.831 8.514 -5.276 1.00 0.00 C ATOM 0 H VAL A 87 -1.541 10.673 -5.825 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.700 11.127 -3.057 1.00 0.00 H new ATOM 0 HB VAL A 87 0.209 8.711 -3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.003 7.746 -2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.722 9.241 -2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.773 9.266 -3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.971 7.438 -5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.698 8.946 -5.776 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.064 8.709 -5.868 1.00 0.00 H new ATOM 1364 N GLN A 88 1.815 11.128 -3.376 1.00 0.00 N ATOM 1365 CA GLN A 88 3.229 11.408 -3.597 1.00 0.00 C ATOM 1366 C GLN A 88 4.102 10.543 -2.693 1.00 0.00 C ATOM 1367 O GLN A 88 3.742 10.263 -1.549 1.00 0.00 O ATOM 1368 CB GLN A 88 3.523 12.888 -3.346 1.00 0.00 C ATOM 1369 CG GLN A 88 2.975 13.402 -2.025 1.00 0.00 C ATOM 1370 CD GLN A 88 2.833 14.911 -2.000 1.00 0.00 C ATOM 1371 OE1 GLN A 88 3.382 15.612 -2.851 1.00 0.00 O ATOM 1372 NE2 GLN A 88 2.092 15.420 -1.023 1.00 0.00 N ATOM 0 H GLN A 88 1.541 11.085 -2.394 1.00 0.00 H new ATOM 0 HA GLN A 88 3.463 11.170 -4.634 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.602 13.044 -3.368 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.099 13.477 -4.159 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.003 12.946 -1.837 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.635 13.089 -1.216 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.655 14.802 -0.339 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.959 16.429 -0.956 1.00 0.00 H new ATOM 1381 N ARG A 89 5.250 10.123 -3.214 1.00 0.00 N ATOM 1382 CA ARG A 89 6.174 9.289 -2.454 1.00 0.00 C ATOM 1383 C ARG A 89 7.407 10.085 -2.037 1.00 0.00 C ATOM 1384 O ARG A 89 8.080 10.692 -2.871 1.00 0.00 O ATOM 1385 CB ARG A 89 6.595 8.074 -3.282 1.00 0.00 C ATOM 1386 CG ARG A 89 7.127 6.922 -2.445 1.00 0.00 C ATOM 1387 CD ARG A 89 7.217 5.639 -3.256 1.00 0.00 C ATOM 1388 NE ARG A 89 7.635 4.503 -2.438 1.00 0.00 N ATOM 1389 CZ ARG A 89 8.905 4.211 -2.181 1.00 0.00 C ATOM 1390 NH1 ARG A 89 9.876 4.968 -2.675 1.00 0.00 N ATOM 1391 NH2 ARG A 89 9.207 3.160 -1.429 1.00 0.00 N ATOM 0 H ARG A 89 5.563 10.346 -4.159 1.00 0.00 H new ATOM 0 HA ARG A 89 5.661 8.948 -1.555 1.00 0.00 H new ATOM 0 HB2 ARG A 89 5.740 7.726 -3.862 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.361 8.378 -3.995 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.113 7.178 -2.057 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.476 6.765 -1.585 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.247 5.425 -3.705 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.924 5.776 -4.074 1.00 0.00 H new ATOM 0 HE ARG A 89 6.912 3.901 -2.043 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.648 5.776 -3.254 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.850 4.742 -2.476 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.463 2.575 -1.048 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.183 2.937 -1.233 1.00 0.00 H new ATOM 1405 N LEU A 90 7.698 10.079 -0.740 1.00 0.00 N ATOM 1406 CA LEU A 90 8.850 10.800 -0.211 1.00 0.00 C ATOM 1407 C LEU A 90 9.703 9.893 0.670 1.00 0.00 C ATOM 1408 O LEU A 90 9.219 9.331 1.653 1.00 0.00 O ATOM 1409 CB LEU A 90 8.389 12.020 0.589 1.00 0.00 C ATOM 1410 CG LEU A 90 7.231 12.819 -0.012 1.00 0.00 C ATOM 1411 CD1 LEU A 90 5.899 12.173 0.336 1.00 0.00 C ATOM 1412 CD2 LEU A 90 7.270 14.261 0.473 1.00 0.00 C ATOM 0 H LEU A 90 7.152 9.583 -0.036 1.00 0.00 H new ATOM 0 HA LEU A 90 9.457 11.133 -1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.096 11.687 1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.240 12.690 0.714 1.00 0.00 H new ATOM 0 HG LEU A 90 7.339 12.818 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.087 12.755 -0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.872 11.158 -0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.782 12.142 1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.439 14.815 0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.188 14.282 1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.211 14.721 0.172 1.00 0.00 H new