USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 594 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 29 GLN : amide:sc=0.000501 X(o=0.65,f=0.5) USER MOD Set 1.2: A 98 SER OG : rot -27:sc= 0.646 USER MOD Set 2.1: A 57 MET CE :methyl 162:sc= -0.0456 (180deg=-0.15) USER MOD Set 2.2: A 93 MET CE :methyl 170:sc= 0 (180deg=-0.119) USER MOD Set 3.1: A 74 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 78 LYS NZ :NH3+ -168:sc= 1.23 (180deg=0.819) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0.658 K(o=0.66,f=-0.14) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 171:sc= -0.274 (180deg=-0.534) USER MOD Single : A 54 LYS NZ :NH3+ -162:sc= 1.07 (180deg=0.753) USER MOD Single : A 65 LYS NZ :NH3+ -164:sc= 1.3 (180deg=1.14) USER MOD Single : A 66 LYS NZ :NH3+ 130:sc= 1.25 (180deg=0.25) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -153:sc= 1.18 (180deg=0.0312!) USER MOD Single : A 72 MET CE :methyl -114:sc= -0.485 (180deg=-0.807) USER MOD Single : A 81 THR OG1 : rot -59:sc= 1.2 USER MOD Single : A 83 LYS NZ :NH3+ 174:sc= 1.97 (180deg=1.74) USER MOD Single : A 84 MET CE :methyl -144:sc= -1.09 (180deg=-2.98!) USER MOD Single : A 85 ASN : amide:sc= -0.425 K(o=-0.43,f=-1.2) USER MOD Single : A 91 THR OG1 : rot -74:sc= 0.951 USER MOD Single : A 94 THR OG1 : rot -81:sc= 1.23 USER MOD Single : A 95 GLN : amide:sc= 0.1 X(o=0.1,f=0) USER MOD Single : A 96 LYS NZ :NH3+ -113:sc= 3.47 (180deg=-1.65) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 383 N LEU A 25 -7.093 -7.998 -26.489 1.00 0.00 N ATOM 384 CA LEU A 25 -5.891 -8.372 -25.680 1.00 0.00 C ATOM 385 C LEU A 25 -6.188 -9.617 -24.782 1.00 0.00 C ATOM 386 O LEU A 25 -7.274 -9.723 -24.205 1.00 0.00 O ATOM 387 CB LEU A 25 -5.253 -7.205 -24.874 1.00 0.00 C ATOM 388 CG LEU A 25 -6.044 -6.603 -23.686 1.00 0.00 C ATOM 389 CD1 LEU A 25 -5.123 -5.715 -22.828 1.00 0.00 C ATOM 390 CD2 LEU A 25 -7.298 -5.808 -24.102 1.00 0.00 C ATOM 0 HA LEU A 25 -5.124 -8.641 -26.406 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.294 -7.554 -24.490 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.041 -6.397 -25.574 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.401 -7.454 -23.106 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.691 -5.298 -21.996 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.299 -6.313 -22.440 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.727 -4.904 -23.439 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.795 -5.420 -23.213 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.006 -4.978 -24.745 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.981 -6.463 -24.642 1.00 0.00 H new ATOM 402 N THR A 26 -5.249 -10.584 -24.645 1.00 0.00 N ATOM 403 CA THR A 26 -5.556 -11.901 -23.993 1.00 0.00 C ATOM 404 C THR A 26 -5.058 -11.910 -22.495 1.00 0.00 C ATOM 405 O THR A 26 -4.773 -10.864 -21.905 1.00 0.00 O ATOM 406 CB THR A 26 -4.925 -13.036 -24.790 1.00 0.00 C ATOM 407 OG1 THR A 26 -3.548 -12.769 -25.041 1.00 0.00 O ATOM 408 CG2 THR A 26 -5.673 -13.150 -26.136 1.00 0.00 C ATOM 0 H THR A 26 -4.286 -10.490 -24.968 1.00 0.00 H new ATOM 0 HA THR A 26 -6.636 -12.047 -23.983 1.00 0.00 H new ATOM 0 HB THR A 26 -4.998 -13.964 -24.223 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.159 -13.509 -25.552 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.239 -13.957 -26.726 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.726 -13.362 -25.950 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.583 -12.212 -26.683 1.00 0.00 H new ATOM 416 N GLU A 27 -4.959 -13.088 -21.857 1.00 0.00 N ATOM 417 CA GLU A 27 -4.718 -13.270 -20.392 1.00 0.00 C ATOM 418 C GLU A 27 -3.442 -12.568 -19.822 1.00 0.00 C ATOM 419 O GLU A 27 -3.559 -11.745 -18.910 1.00 0.00 O ATOM 420 CB GLU A 27 -4.658 -14.770 -20.000 1.00 0.00 C ATOM 421 CG GLU A 27 -6.005 -15.525 -20.114 1.00 0.00 C ATOM 422 CD GLU A 27 -6.478 -15.742 -21.554 1.00 0.00 C ATOM 423 OE1 GLU A 27 -5.628 -15.716 -22.484 1.00 0.00 O ATOM 424 OE2 GLU A 27 -7.710 -15.919 -21.739 1.00 0.00 O ATOM 0 H GLU A 27 -5.045 -13.976 -22.351 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.580 -12.778 -19.942 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.924 -15.268 -20.634 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.299 -14.849 -18.974 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.909 -16.494 -19.624 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.769 -14.968 -19.572 1.00 0.00 H new ATOM 431 N GLU A 28 -2.264 -12.857 -20.407 1.00 0.00 N ATOM 432 CA GLU A 28 -0.987 -12.123 -20.150 1.00 0.00 C ATOM 433 C GLU A 28 -1.091 -10.563 -20.252 1.00 0.00 C ATOM 434 O GLU A 28 -0.758 -9.866 -19.289 1.00 0.00 O ATOM 435 CB GLU A 28 0.116 -12.647 -21.110 1.00 0.00 C ATOM 436 CG GLU A 28 1.513 -11.998 -20.987 1.00 0.00 C ATOM 437 CD GLU A 28 1.634 -10.784 -21.911 1.00 0.00 C ATOM 438 OE1 GLU A 28 1.423 -10.965 -23.141 1.00 0.00 O ATOM 439 OE2 GLU A 28 1.917 -9.667 -21.405 1.00 0.00 O ATOM 0 H GLU A 28 -2.160 -13.615 -21.082 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.731 -12.327 -19.110 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.224 -13.720 -20.949 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.232 -12.512 -22.134 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.687 -11.693 -19.955 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.282 -12.729 -21.238 1.00 0.00 H new ATOM 446 N GLN A 29 -1.605 -10.026 -21.377 1.00 0.00 N ATOM 447 CA GLN A 29 -1.769 -8.557 -21.556 1.00 0.00 C ATOM 448 C GLN A 29 -2.810 -7.917 -20.572 1.00 0.00 C ATOM 449 O GLN A 29 -2.451 -6.972 -19.866 1.00 0.00 O ATOM 450 CB GLN A 29 -2.006 -8.162 -23.023 1.00 0.00 C ATOM 451 CG GLN A 29 -0.829 -8.616 -23.908 1.00 0.00 C ATOM 452 CD GLN A 29 -0.740 -7.790 -25.193 1.00 0.00 C ATOM 453 OE1 GLN A 29 0.074 -6.862 -25.267 1.00 0.00 O ATOM 454 NE2 GLN A 29 -1.580 -8.128 -26.213 1.00 0.00 N ATOM 0 H GLN A 29 -1.914 -10.579 -22.176 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.810 -8.121 -21.276 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.931 -8.613 -23.381 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.128 -7.081 -23.098 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.103 -8.524 -23.350 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.947 -9.670 -24.160 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.233 -8.903 -26.100 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.555 -7.606 -27.089 1.00 0.00 H new ATOM 463 N LYS A 30 -4.055 -8.444 -20.498 1.00 0.00 N ATOM 464 CA LYS A 30 -5.090 -8.032 -19.490 1.00 0.00 C ATOM 465 C LYS A 30 -4.582 -7.885 -18.013 1.00 0.00 C ATOM 466 O LYS A 30 -4.572 -6.784 -17.446 1.00 0.00 O ATOM 467 CB LYS A 30 -6.257 -9.056 -19.410 1.00 0.00 C ATOM 468 CG LYS A 30 -7.142 -9.156 -20.664 1.00 0.00 C ATOM 469 CD LYS A 30 -8.257 -8.103 -20.758 1.00 0.00 C ATOM 470 CE LYS A 30 -9.113 -8.316 -22.015 1.00 0.00 C ATOM 471 NZ LYS A 30 -10.247 -7.377 -22.099 1.00 0.00 N ATOM 0 H LYS A 30 -4.382 -9.171 -21.134 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.395 -7.055 -19.865 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.838 -10.041 -19.203 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.889 -8.794 -18.561 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.507 -9.071 -21.546 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.595 -10.147 -20.692 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.888 -8.157 -19.871 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.819 -7.105 -20.777 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.486 -8.202 -22.900 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.492 -9.338 -22.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.790 -7.565 -22.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.863 -7.502 -21.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.889 -6.401 -22.120 1.00 0.00 H new ATOM 485 N GLN A 31 -4.083 -9.008 -17.471 1.00 0.00 N ATOM 486 CA GLN A 31 -3.367 -9.084 -16.172 1.00 0.00 C ATOM 487 C GLN A 31 -2.204 -8.063 -15.989 1.00 0.00 C ATOM 488 O GLN A 31 -2.231 -7.334 -14.997 1.00 0.00 O ATOM 489 CB GLN A 31 -2.831 -10.522 -15.939 1.00 0.00 C ATOM 490 CG GLN A 31 -2.066 -10.774 -14.621 1.00 0.00 C ATOM 491 CD GLN A 31 -0.551 -10.767 -14.879 1.00 0.00 C ATOM 492 OE1 GLN A 31 -0.063 -11.616 -15.635 1.00 0.00 O ATOM 493 NE2 GLN A 31 0.186 -9.802 -14.258 1.00 0.00 N ATOM 0 H GLN A 31 -4.165 -9.915 -17.930 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.115 -8.814 -15.427 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.675 -11.210 -15.979 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -2.172 -10.778 -16.769 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.322 -10.006 -13.891 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.366 -11.732 -14.195 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.271 -9.127 -13.644 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.194 -9.755 -14.407 1.00 0.00 H new ATOM 502 N GLU A 32 -1.201 -8.000 -16.881 1.00 0.00 N ATOM 503 CA GLU A 32 0.028 -7.186 -16.593 1.00 0.00 C ATOM 504 C GLU A 32 -0.213 -5.646 -16.696 1.00 0.00 C ATOM 505 O GLU A 32 0.130 -4.950 -15.734 1.00 0.00 O ATOM 506 CB GLU A 32 1.227 -7.632 -17.460 1.00 0.00 C ATOM 507 CG GLU A 32 2.603 -7.193 -16.923 1.00 0.00 C ATOM 508 CD GLU A 32 2.841 -7.712 -15.505 1.00 0.00 C ATOM 509 OE1 GLU A 32 2.733 -8.949 -15.292 1.00 0.00 O ATOM 510 OE2 GLU A 32 3.121 -6.871 -14.609 1.00 0.00 O ATOM 0 H GLU A 32 -1.198 -8.479 -17.782 1.00 0.00 H new ATOM 0 HA GLU A 32 0.278 -7.384 -15.551 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.214 -8.719 -17.544 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.100 -7.233 -18.466 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.388 -7.562 -17.583 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.667 -6.105 -16.929 1.00 0.00 H new ATOM 517 N ILE A 33 -0.801 -5.074 -17.772 1.00 0.00 N ATOM 518 CA ILE A 33 -1.069 -3.597 -17.807 1.00 0.00 C ATOM 519 C ILE A 33 -2.212 -3.191 -16.808 1.00 0.00 C ATOM 520 O ILE A 33 -2.010 -2.202 -16.090 1.00 0.00 O ATOM 521 CB ILE A 33 -1.431 -3.203 -19.250 1.00 0.00 C ATOM 522 CG1 ILE A 33 -0.181 -3.143 -20.173 1.00 0.00 C ATOM 523 CG2 ILE A 33 -2.184 -1.857 -19.319 1.00 0.00 C ATOM 524 CD1 ILE A 33 0.379 -4.495 -20.635 1.00 0.00 C ATOM 0 H ILE A 33 -1.094 -5.582 -18.606 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.174 -3.062 -17.489 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.094 -3.990 -19.610 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.434 -2.556 -21.056 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.608 -2.605 -19.648 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.417 -1.623 -20.358 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.109 -1.928 -18.747 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.558 -1.068 -18.901 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.248 -4.330 -21.272 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.673 -5.083 -19.766 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.385 -5.033 -21.196 1.00 0.00 H new ATOM 536 N ARG A 34 -3.380 -3.889 -16.709 1.00 0.00 N ATOM 537 CA ARG A 34 -4.432 -3.493 -15.730 1.00 0.00 C ATOM 538 C ARG A 34 -4.016 -3.706 -14.238 1.00 0.00 C ATOM 539 O ARG A 34 -4.295 -2.809 -13.441 1.00 0.00 O ATOM 540 CB ARG A 34 -5.774 -4.213 -16.012 1.00 0.00 C ATOM 541 CG ARG A 34 -7.036 -3.408 -15.642 1.00 0.00 C ATOM 542 CD ARG A 34 -8.025 -4.121 -14.702 1.00 0.00 C ATOM 543 NE ARG A 34 -7.584 -3.946 -13.278 1.00 0.00 N ATOM 544 CZ ARG A 34 -6.872 -4.864 -12.559 1.00 0.00 C ATOM 545 NH1 ARG A 34 -6.507 -6.073 -13.069 1.00 0.00 N ATOM 546 NH2 ARG A 34 -6.506 -4.564 -11.281 1.00 0.00 N ATOM 0 H ARG A 34 -3.612 -4.704 -17.277 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.562 -2.420 -15.873 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.819 -4.463 -17.072 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.787 -5.154 -15.461 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.726 -2.474 -15.174 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.560 -3.145 -16.561 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.027 -3.713 -14.835 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.077 -5.181 -14.949 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.835 -3.075 -12.811 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.765 -6.323 -14.024 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.975 -6.729 -12.496 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.764 -3.665 -10.874 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.974 -5.239 -10.731 1.00 0.00 H new ATOM 560 N GLU A 35 -3.351 -4.822 -13.843 1.00 0.00 N ATOM 561 CA GLU A 35 -2.876 -5.000 -12.438 1.00 0.00 C ATOM 562 C GLU A 35 -1.661 -4.083 -12.063 1.00 0.00 C ATOM 563 O GLU A 35 -1.642 -3.605 -10.930 1.00 0.00 O ATOM 564 CB GLU A 35 -2.530 -6.473 -12.099 1.00 0.00 C ATOM 565 CG GLU A 35 -2.575 -6.834 -10.597 1.00 0.00 C ATOM 566 CD GLU A 35 -4.002 -6.886 -10.047 1.00 0.00 C ATOM 567 OE1 GLU A 35 -4.976 -6.873 -10.847 1.00 0.00 O ATOM 568 OE2 GLU A 35 -4.150 -6.931 -8.796 1.00 0.00 O ATOM 0 H GLU A 35 -3.132 -5.602 -14.462 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.729 -4.692 -11.833 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.223 -7.124 -12.633 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.532 -6.691 -12.478 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.095 -7.801 -10.445 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.999 -6.100 -10.033 1.00 0.00 H new ATOM 575 N ALA A 36 -0.700 -3.768 -12.966 1.00 0.00 N ATOM 576 CA ALA A 36 0.347 -2.741 -12.687 1.00 0.00 C ATOM 577 C ALA A 36 -0.193 -1.286 -12.480 1.00 0.00 C ATOM 578 O ALA A 36 0.048 -0.698 -11.420 1.00 0.00 O ATOM 579 CB ALA A 36 1.407 -2.680 -13.804 1.00 0.00 C ATOM 0 H ALA A 36 -0.624 -4.202 -13.886 1.00 0.00 H new ATOM 0 HA ALA A 36 0.780 -3.080 -11.746 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.149 -1.920 -13.560 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.897 -3.650 -13.894 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.926 -2.427 -14.749 1.00 0.00 H new ATOM 585 N PHE A 37 -0.954 -0.714 -13.443 1.00 0.00 N ATOM 586 CA PHE A 37 -1.575 0.636 -13.265 1.00 0.00 C ATOM 587 C PHE A 37 -2.527 0.745 -12.020 1.00 0.00 C ATOM 588 O PHE A 37 -2.420 1.724 -11.287 1.00 0.00 O ATOM 589 CB PHE A 37 -2.403 1.009 -14.521 1.00 0.00 C ATOM 590 CG PHE A 37 -2.546 2.502 -14.675 1.00 0.00 C ATOM 591 CD1 PHE A 37 -3.529 3.225 -13.974 1.00 0.00 C ATOM 592 CD2 PHE A 37 -1.700 3.194 -15.558 1.00 0.00 C ATOM 593 CE1 PHE A 37 -3.642 4.613 -14.130 1.00 0.00 C ATOM 594 CE2 PHE A 37 -1.837 4.569 -15.748 1.00 0.00 C ATOM 595 CZ PHE A 37 -2.792 5.283 -15.016 1.00 0.00 C ATOM 0 H PHE A 37 -1.155 -1.153 -14.342 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.739 1.318 -13.107 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.923 0.597 -15.408 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.391 0.554 -14.453 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.203 2.705 -13.309 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.934 2.655 -16.096 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.382 5.163 -13.568 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.207 5.082 -16.459 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.873 6.353 -15.135 1.00 0.00 H new ATOM 605 N ASP A 38 -3.374 -0.265 -11.743 1.00 0.00 N ATOM 606 CA ASP A 38 -4.151 -0.373 -10.470 1.00 0.00 C ATOM 607 C ASP A 38 -3.279 -0.574 -9.169 1.00 0.00 C ATOM 608 O ASP A 38 -3.631 -0.012 -8.128 1.00 0.00 O ATOM 609 CB ASP A 38 -5.029 -1.647 -10.634 1.00 0.00 C ATOM 610 CG ASP A 38 -6.158 -1.895 -9.632 1.00 0.00 C ATOM 611 OD1 ASP A 38 -5.910 -1.974 -8.402 1.00 0.00 O ATOM 612 OD2 ASP A 38 -7.291 -2.155 -10.124 1.00 0.00 O ATOM 0 H ASP A 38 -3.547 -1.035 -12.389 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.694 0.562 -10.328 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.471 -1.618 -11.630 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.366 -2.511 -10.605 1.00 0.00 H new ATOM 617 N LEU A 39 -2.144 -1.320 -9.185 1.00 0.00 N ATOM 618 CA LEU A 39 -1.161 -1.357 -8.067 1.00 0.00 C ATOM 619 C LEU A 39 -0.647 0.053 -7.608 1.00 0.00 C ATOM 620 O LEU A 39 -0.580 0.318 -6.405 1.00 0.00 O ATOM 621 CB LEU A 39 0.076 -2.225 -8.423 1.00 0.00 C ATOM 622 CG LEU A 39 1.105 -2.462 -7.288 1.00 0.00 C ATOM 623 CD1 LEU A 39 0.500 -3.203 -6.080 1.00 0.00 C ATOM 624 CD2 LEU A 39 2.345 -3.200 -7.832 1.00 0.00 C ATOM 0 H LEU A 39 -1.883 -1.913 -9.973 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.719 -1.795 -7.240 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.277 -3.196 -8.771 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.593 -1.755 -9.260 1.00 0.00 H new ATOM 0 HG LEU A 39 1.412 -1.482 -6.922 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.266 -3.341 -5.317 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.321 -2.617 -5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.127 -4.176 -6.400 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.058 -3.359 -7.023 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.044 -4.163 -8.244 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.811 -2.601 -8.614 1.00 0.00 H new ATOM 636 N PHE A 40 -0.290 0.936 -8.563 1.00 0.00 N ATOM 637 CA PHE A 40 0.094 2.344 -8.259 1.00 0.00 C ATOM 638 C PHE A 40 -1.152 3.270 -8.041 1.00 0.00 C ATOM 639 O PHE A 40 -1.206 3.962 -7.019 1.00 0.00 O ATOM 640 CB PHE A 40 1.037 2.924 -9.322 1.00 0.00 C ATOM 641 CG PHE A 40 2.269 2.052 -9.348 1.00 0.00 C ATOM 642 CD1 PHE A 40 3.201 2.103 -8.295 1.00 0.00 C ATOM 643 CD2 PHE A 40 2.456 1.106 -10.370 1.00 0.00 C ATOM 644 CE1 PHE A 40 4.285 1.218 -8.256 1.00 0.00 C ATOM 645 CE2 PHE A 40 3.520 0.198 -10.317 1.00 0.00 C ATOM 646 CZ PHE A 40 4.438 0.257 -9.263 1.00 0.00 C ATOM 0 H PHE A 40 -0.257 0.705 -9.556 1.00 0.00 H new ATOM 0 HA PHE A 40 0.639 2.314 -7.316 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.554 2.937 -10.299 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.300 3.954 -9.082 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.079 2.833 -7.508 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.772 1.079 -11.205 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.002 1.276 -7.451 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.632 -0.548 -11.090 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.264 -0.438 -9.226 1.00 0.00 H new ATOM 656 N ASP A 41 -2.174 3.257 -8.925 1.00 0.00 N ATOM 657 CA ASP A 41 -3.446 3.993 -8.708 1.00 0.00 C ATOM 658 C ASP A 41 -4.497 3.134 -7.918 1.00 0.00 C ATOM 659 O ASP A 41 -5.422 2.547 -8.490 1.00 0.00 O ATOM 660 CB ASP A 41 -4.081 4.470 -10.053 1.00 0.00 C ATOM 661 CG ASP A 41 -5.282 5.411 -9.882 1.00 0.00 C ATOM 662 OD1 ASP A 41 -5.728 5.641 -8.726 1.00 0.00 O ATOM 663 OD2 ASP A 41 -5.777 5.928 -10.924 1.00 0.00 O ATOM 0 H ASP A 41 -2.144 2.741 -9.804 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.186 4.867 -8.110 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.317 4.977 -10.643 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.396 3.596 -10.623 1.00 0.00 H new ATOM 668 N ALA A 42 -4.349 3.084 -6.581 1.00 0.00 N ATOM 669 CA ALA A 42 -5.284 2.331 -5.690 1.00 0.00 C ATOM 670 C ALA A 42 -6.481 3.166 -5.112 1.00 0.00 C ATOM 671 O ALA A 42 -7.593 2.643 -5.007 1.00 0.00 O ATOM 672 CB ALA A 42 -4.533 1.746 -4.479 1.00 0.00 C ATOM 0 H ALA A 42 -3.593 3.553 -6.083 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.695 1.562 -6.345 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.233 1.202 -3.845 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.755 1.066 -4.827 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.078 2.555 -3.907 1.00 0.00 H new ATOM 678 N ASP A 43 -6.275 4.448 -4.749 1.00 0.00 N ATOM 679 CA ASP A 43 -7.359 5.386 -4.328 1.00 0.00 C ATOM 680 C ASP A 43 -8.407 5.777 -5.444 1.00 0.00 C ATOM 681 O ASP A 43 -9.551 6.122 -5.123 1.00 0.00 O ATOM 682 CB ASP A 43 -6.661 6.689 -3.832 1.00 0.00 C ATOM 683 CG ASP A 43 -7.498 7.493 -2.840 1.00 0.00 C ATOM 684 OD1 ASP A 43 -7.373 7.238 -1.612 1.00 0.00 O ATOM 685 OD2 ASP A 43 -8.255 8.394 -3.285 1.00 0.00 O ATOM 0 H ASP A 43 -5.348 4.874 -4.736 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.940 4.868 -3.565 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.712 6.427 -3.365 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.430 7.317 -4.692 1.00 0.00 H new ATOM 690 N GLY A 44 -8.031 5.749 -6.736 1.00 0.00 N ATOM 691 CA GLY A 44 -8.906 6.150 -7.867 1.00 0.00 C ATOM 692 C GLY A 44 -8.627 7.594 -8.317 1.00 0.00 C ATOM 693 O GLY A 44 -9.340 8.517 -7.913 1.00 0.00 O ATOM 0 H GLY A 44 -7.104 5.445 -7.033 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.751 5.471 -8.706 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.951 6.057 -7.570 1.00 0.00 H new ATOM 697 N THR A 45 -7.576 7.773 -9.122 1.00 0.00 N ATOM 698 CA THR A 45 -7.022 9.112 -9.475 1.00 0.00 C ATOM 699 C THR A 45 -7.165 9.416 -11.001 1.00 0.00 C ATOM 700 O THR A 45 -7.871 10.363 -11.363 1.00 0.00 O ATOM 701 CB THR A 45 -5.583 9.348 -8.985 1.00 0.00 C ATOM 702 OG1 THR A 45 -4.609 8.497 -9.578 1.00 0.00 O ATOM 703 CG2 THR A 45 -5.538 9.111 -7.462 1.00 0.00 C ATOM 0 H THR A 45 -7.073 6.999 -9.556 1.00 0.00 H new ATOM 0 HA THR A 45 -7.636 9.827 -8.927 1.00 0.00 H new ATOM 0 HB THR A 45 -5.333 10.370 -9.270 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.724 8.711 -9.216 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.524 9.274 -7.098 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.217 9.804 -6.966 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.841 8.087 -7.244 1.00 0.00 H new ATOM 711 N GLY A 46 -6.482 8.659 -11.881 1.00 0.00 N ATOM 712 CA GLY A 46 -6.374 9.007 -13.330 1.00 0.00 C ATOM 713 C GLY A 46 -4.946 8.787 -13.857 1.00 0.00 C ATOM 714 O GLY A 46 -4.724 7.904 -14.688 1.00 0.00 O ATOM 0 H GLY A 46 -5.994 7.801 -11.624 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.073 8.399 -13.904 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.661 10.048 -13.478 1.00 0.00 H new ATOM 718 N THR A 47 -3.992 9.625 -13.411 1.00 0.00 N ATOM 719 CA THR A 47 -2.571 9.527 -13.851 1.00 0.00 C ATOM 720 C THR A 47 -1.663 8.918 -12.741 1.00 0.00 C ATOM 721 O THR A 47 -1.723 9.270 -11.561 1.00 0.00 O ATOM 722 CB THR A 47 -2.010 10.886 -14.254 1.00 0.00 C ATOM 723 OG1 THR A 47 -2.348 11.885 -13.295 1.00 0.00 O ATOM 724 CG2 THR A 47 -2.609 11.285 -15.618 1.00 0.00 C ATOM 0 H THR A 47 -4.170 10.379 -12.747 1.00 0.00 H new ATOM 0 HA THR A 47 -2.568 8.866 -14.718 1.00 0.00 H new ATOM 0 HB THR A 47 -0.924 10.812 -14.312 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.975 12.747 -13.575 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.216 12.256 -15.918 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.341 10.538 -16.365 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.694 11.343 -15.536 1.00 0.00 H new ATOM 732 N ILE A 48 -0.740 8.075 -13.210 1.00 0.00 N ATOM 733 CA ILE A 48 0.398 7.529 -12.414 1.00 0.00 C ATOM 734 C ILE A 48 1.656 8.379 -12.827 1.00 0.00 C ATOM 735 O ILE A 48 1.775 8.823 -13.984 1.00 0.00 O ATOM 736 CB ILE A 48 0.618 6.045 -12.798 1.00 0.00 C ATOM 737 CG1 ILE A 48 1.775 5.365 -12.044 1.00 0.00 C ATOM 738 CG2 ILE A 48 0.814 5.871 -14.321 1.00 0.00 C ATOM 739 CD1 ILE A 48 2.061 3.925 -12.489 1.00 0.00 C ATOM 0 H ILE A 48 -0.750 7.737 -14.172 1.00 0.00 H new ATOM 0 HA ILE A 48 0.214 7.583 -11.341 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.299 5.542 -12.490 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.679 5.960 -12.177 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.548 5.365 -10.978 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.965 4.816 -14.550 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.070 6.233 -14.845 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.685 6.441 -14.643 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.890 3.522 -11.907 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.174 3.312 -12.330 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.323 3.916 -13.547 1.00 0.00 H new ATOM 751 N ASP A 49 2.614 8.608 -11.905 1.00 0.00 N ATOM 752 CA ASP A 49 3.787 9.493 -12.191 1.00 0.00 C ATOM 753 C ASP A 49 5.048 8.651 -12.591 1.00 0.00 C ATOM 754 O ASP A 49 5.076 7.425 -12.474 1.00 0.00 O ATOM 755 CB ASP A 49 4.150 10.506 -11.051 1.00 0.00 C ATOM 756 CG ASP A 49 5.208 10.036 -10.041 1.00 0.00 C ATOM 757 OD1 ASP A 49 4.943 9.107 -9.239 1.00 0.00 O ATOM 758 OD2 ASP A 49 6.333 10.603 -10.062 1.00 0.00 O ATOM 0 H ASP A 49 2.610 8.205 -10.968 1.00 0.00 H new ATOM 0 HA ASP A 49 3.467 10.105 -13.034 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.502 11.429 -11.512 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.238 10.749 -10.505 1.00 0.00 H new ATOM 763 N VAL A 50 6.125 9.313 -13.046 1.00 0.00 N ATOM 764 CA VAL A 50 7.404 8.621 -13.436 1.00 0.00 C ATOM 765 C VAL A 50 8.120 7.818 -12.319 1.00 0.00 C ATOM 766 O VAL A 50 8.707 6.786 -12.640 1.00 0.00 O ATOM 767 CB VAL A 50 8.404 9.525 -14.133 1.00 0.00 C ATOM 768 CG1 VAL A 50 8.072 9.496 -15.637 1.00 0.00 C ATOM 769 CG2 VAL A 50 8.408 10.941 -13.516 1.00 0.00 C ATOM 0 H VAL A 50 6.153 10.326 -13.159 1.00 0.00 H new ATOM 0 HA VAL A 50 7.033 7.884 -14.148 1.00 0.00 H new ATOM 0 HB VAL A 50 9.426 9.171 -13.995 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.771 10.136 -16.176 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.155 8.475 -16.008 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.055 9.857 -15.792 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.135 11.563 -14.038 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.416 11.383 -13.613 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.676 10.878 -12.461 1.00 0.00 H new ATOM 779 N LYS A 51 8.077 8.226 -11.049 1.00 0.00 N ATOM 780 CA LYS A 51 8.539 7.366 -9.913 1.00 0.00 C ATOM 781 C LYS A 51 7.810 5.968 -9.862 1.00 0.00 C ATOM 782 O LYS A 51 8.437 4.923 -10.080 1.00 0.00 O ATOM 783 CB LYS A 51 8.295 8.036 -8.541 1.00 0.00 C ATOM 784 CG LYS A 51 8.992 9.397 -8.378 1.00 0.00 C ATOM 785 CD LYS A 51 8.730 10.087 -7.026 1.00 0.00 C ATOM 786 CE LYS A 51 7.437 10.928 -6.936 1.00 0.00 C ATOM 787 NZ LYS A 51 6.194 10.118 -6.986 1.00 0.00 N ATOM 0 H LYS A 51 7.731 9.142 -10.763 1.00 0.00 H new ATOM 0 HA LYS A 51 9.604 7.227 -10.098 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.223 8.169 -8.398 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.640 7.366 -7.754 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.066 9.258 -8.499 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.663 10.058 -9.180 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.697 9.322 -6.250 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.578 10.734 -6.800 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.450 11.500 -6.008 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.424 11.648 -7.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.376 10.723 -6.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.082 9.713 -7.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.252 9.350 -6.287 1.00 0.00 H new ATOM 801 N GLU A 52 6.473 5.993 -9.707 1.00 0.00 N ATOM 802 CA GLU A 52 5.587 4.806 -9.852 1.00 0.00 C ATOM 803 C GLU A 52 5.692 4.057 -11.232 1.00 0.00 C ATOM 804 O GLU A 52 5.862 2.839 -11.234 1.00 0.00 O ATOM 805 CB GLU A 52 4.146 5.299 -9.683 1.00 0.00 C ATOM 806 CG GLU A 52 3.863 5.990 -8.337 1.00 0.00 C ATOM 807 CD GLU A 52 2.450 6.571 -8.376 1.00 0.00 C ATOM 808 OE1 GLU A 52 2.163 7.372 -9.307 1.00 0.00 O ATOM 809 OE2 GLU A 52 1.642 6.213 -7.481 1.00 0.00 O ATOM 0 H GLU A 52 5.964 6.846 -9.474 1.00 0.00 H new ATOM 0 HA GLU A 52 5.900 4.082 -9.099 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.916 5.995 -10.490 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.470 4.451 -9.791 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.956 5.277 -7.518 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.592 6.780 -8.156 1.00 0.00 H new ATOM 816 N LEU A 53 5.618 4.754 -12.392 1.00 0.00 N ATOM 817 CA LEU A 53 5.765 4.134 -13.738 1.00 0.00 C ATOM 818 C LEU A 53 7.149 3.469 -14.038 1.00 0.00 C ATOM 819 O LEU A 53 7.189 2.425 -14.686 1.00 0.00 O ATOM 820 CB LEU A 53 5.507 5.184 -14.845 1.00 0.00 C ATOM 821 CG LEU A 53 5.332 4.613 -16.269 1.00 0.00 C ATOM 822 CD1 LEU A 53 4.076 3.725 -16.384 1.00 0.00 C ATOM 823 CD2 LEU A 53 5.340 5.747 -17.312 1.00 0.00 C ATOM 0 H LEU A 53 5.455 5.760 -12.424 1.00 0.00 H new ATOM 0 HA LEU A 53 5.025 3.334 -13.734 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.612 5.749 -14.585 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.338 5.890 -14.854 1.00 0.00 H new ATOM 0 HG LEU A 53 6.183 3.965 -16.478 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.991 3.344 -17.402 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.157 2.889 -15.689 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.191 4.313 -16.142 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.216 5.325 -18.309 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.522 6.437 -17.105 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.288 6.282 -17.260 1.00 0.00 H new ATOM 835 N LYS A 54 8.280 4.029 -13.575 1.00 0.00 N ATOM 836 CA LYS A 54 9.610 3.349 -13.617 1.00 0.00 C ATOM 837 C LYS A 54 9.640 2.028 -12.777 1.00 0.00 C ATOM 838 O LYS A 54 10.120 1.004 -13.275 1.00 0.00 O ATOM 839 CB LYS A 54 10.743 4.294 -13.113 1.00 0.00 C ATOM 840 CG LYS A 54 11.055 5.420 -14.125 1.00 0.00 C ATOM 841 CD LYS A 54 11.772 6.685 -13.596 1.00 0.00 C ATOM 842 CE LYS A 54 11.836 7.792 -14.677 1.00 0.00 C ATOM 843 NZ LYS A 54 12.139 9.158 -14.171 1.00 0.00 N ATOM 0 H LYS A 54 8.311 4.961 -13.161 1.00 0.00 H new ATOM 0 HA LYS A 54 9.780 3.093 -14.663 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.450 4.735 -12.160 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.646 3.711 -12.930 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.667 4.996 -14.921 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.115 5.733 -14.579 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.248 7.062 -12.718 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.782 6.426 -13.278 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.594 7.517 -15.410 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.881 7.820 -15.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.866 9.862 -14.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.605 9.330 -13.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.158 9.238 -13.977 1.00 0.00 H new ATOM 857 N VAL A 55 9.082 2.029 -11.545 1.00 0.00 N ATOM 858 CA VAL A 55 8.829 0.745 -10.781 1.00 0.00 C ATOM 859 C VAL A 55 7.842 -0.223 -11.549 1.00 0.00 C ATOM 860 O VAL A 55 8.038 -1.444 -11.532 1.00 0.00 O ATOM 861 CB VAL A 55 8.336 1.002 -9.360 1.00 0.00 C ATOM 862 CG1 VAL A 55 8.203 -0.320 -8.570 1.00 0.00 C ATOM 863 CG2 VAL A 55 9.338 1.938 -8.648 1.00 0.00 C ATOM 0 H VAL A 55 8.797 2.875 -11.051 1.00 0.00 H new ATOM 0 HA VAL A 55 9.795 0.245 -10.709 1.00 0.00 H new ATOM 0 HB VAL A 55 7.351 1.467 -9.405 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.850 -0.107 -7.561 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.491 -0.974 -9.073 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.174 -0.812 -8.518 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.997 2.130 -7.631 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.320 1.465 -8.619 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.405 2.880 -9.192 1.00 0.00 H new ATOM 873 N ALA A 56 6.819 0.325 -12.233 1.00 0.00 N ATOM 874 CA ALA A 56 5.903 -0.460 -13.112 1.00 0.00 C ATOM 875 C ALA A 56 6.590 -1.163 -14.327 1.00 0.00 C ATOM 876 O ALA A 56 6.302 -2.325 -14.609 1.00 0.00 O ATOM 877 CB ALA A 56 4.751 0.386 -13.692 1.00 0.00 C ATOM 0 H ALA A 56 6.597 1.320 -12.198 1.00 0.00 H new ATOM 0 HA ALA A 56 5.530 -1.220 -12.425 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.120 -0.241 -14.322 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.155 0.797 -12.877 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.162 1.201 -14.287 1.00 0.00 H new ATOM 883 N MET A 57 7.520 -0.467 -15.005 1.00 0.00 N ATOM 884 CA MET A 57 8.361 -1.057 -16.087 1.00 0.00 C ATOM 885 C MET A 57 9.393 -2.127 -15.588 1.00 0.00 C ATOM 886 O MET A 57 9.580 -3.127 -16.288 1.00 0.00 O ATOM 887 CB MET A 57 9.064 0.085 -16.839 1.00 0.00 C ATOM 888 CG MET A 57 8.247 0.617 -18.039 1.00 0.00 C ATOM 889 SD MET A 57 6.542 1.146 -17.658 1.00 0.00 S ATOM 890 CE MET A 57 6.286 2.182 -19.120 1.00 0.00 C ATOM 0 H MET A 57 7.717 0.518 -14.827 1.00 0.00 H new ATOM 0 HA MET A 57 7.697 -1.606 -16.754 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.255 0.904 -16.146 1.00 0.00 H new ATOM 0 HB3 MET A 57 10.033 -0.265 -17.194 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.782 1.461 -18.474 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.205 -0.161 -18.801 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.219 2.352 -19.263 1.00 0.00 H new ATOM 0 HE2 MET A 57 6.790 3.138 -18.981 1.00 0.00 H new ATOM 0 HE3 MET A 57 6.695 1.681 -19.997 1.00 0.00 H new ATOM 900 N ARG A 58 10.027 -1.969 -14.403 1.00 0.00 N ATOM 901 CA ARG A 58 10.832 -3.058 -13.763 1.00 0.00 C ATOM 902 C ARG A 58 10.001 -4.372 -13.495 1.00 0.00 C ATOM 903 O ARG A 58 10.451 -5.445 -13.906 1.00 0.00 O ATOM 904 CB ARG A 58 11.410 -2.624 -12.396 1.00 0.00 C ATOM 905 CG ARG A 58 12.359 -1.418 -12.480 1.00 0.00 C ATOM 906 CD ARG A 58 12.705 -0.856 -11.093 1.00 0.00 C ATOM 907 NE ARG A 58 13.409 0.459 -11.264 1.00 0.00 N ATOM 908 CZ ARG A 58 13.603 1.338 -10.231 1.00 0.00 C ATOM 909 NH1 ARG A 58 13.208 1.023 -8.964 1.00 0.00 N ATOM 910 NH2 ARG A 58 14.203 2.541 -10.475 1.00 0.00 N ATOM 0 H ARG A 58 10.002 -1.103 -13.865 1.00 0.00 H new ATOM 0 HA ARG A 58 11.625 -3.259 -14.483 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.587 -2.381 -11.724 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.944 -3.465 -11.954 1.00 0.00 H new ATOM 0 HG2 ARG A 58 13.276 -1.714 -12.990 1.00 0.00 H new ATOM 0 HG3 ARG A 58 11.898 -0.636 -13.083 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.798 -0.724 -10.503 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.340 -1.556 -10.550 1.00 0.00 H new ATOM 0 HE ARG A 58 13.758 0.709 -12.189 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.763 0.125 -8.777 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.358 1.686 -8.203 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.503 2.779 -11.420 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.351 3.201 -9.712 1.00 0.00 H new ATOM 924 N ALA A 59 8.806 -4.302 -12.859 1.00 0.00 N ATOM 925 CA ALA A 59 7.874 -5.466 -12.775 1.00 0.00 C ATOM 926 C ALA A 59 7.296 -6.026 -14.126 1.00 0.00 C ATOM 927 O ALA A 59 7.213 -7.246 -14.267 1.00 0.00 O ATOM 928 CB ALA A 59 6.653 -5.117 -11.904 1.00 0.00 C ATOM 0 H ALA A 59 8.462 -3.460 -12.398 1.00 0.00 H new ATOM 0 HA ALA A 59 8.515 -6.242 -12.357 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.984 -5.976 -11.854 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.985 -4.856 -10.899 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.124 -4.271 -12.342 1.00 0.00 H new ATOM 934 N LEU A 60 6.909 -5.174 -15.093 1.00 0.00 N ATOM 935 CA LEU A 60 6.269 -5.600 -16.376 1.00 0.00 C ATOM 936 C LEU A 60 7.223 -6.151 -17.473 1.00 0.00 C ATOM 937 O LEU A 60 6.807 -7.021 -18.240 1.00 0.00 O ATOM 938 CB LEU A 60 5.528 -4.364 -16.968 1.00 0.00 C ATOM 939 CG LEU A 60 4.746 -4.540 -18.298 1.00 0.00 C ATOM 940 CD1 LEU A 60 3.472 -3.674 -18.297 1.00 0.00 C ATOM 941 CD2 LEU A 60 5.582 -4.221 -19.553 1.00 0.00 C ATOM 0 H LEU A 60 7.027 -4.164 -15.017 1.00 0.00 H new ATOM 0 HA LEU A 60 5.617 -6.433 -16.114 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.826 -4.005 -16.215 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.265 -3.575 -17.118 1.00 0.00 H new ATOM 0 HG LEU A 60 4.484 -5.597 -18.349 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.938 -3.811 -19.237 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.830 -3.972 -17.468 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.745 -2.625 -18.185 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.971 -4.366 -20.444 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.922 -3.186 -19.510 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.445 -4.885 -19.593 1.00 0.00 H new ATOM 953 N GLY A 61 8.448 -5.610 -17.618 1.00 0.00 N ATOM 954 CA GLY A 61 9.395 -6.043 -18.674 1.00 0.00 C ATOM 955 C GLY A 61 9.780 -7.538 -18.697 1.00 0.00 C ATOM 956 O GLY A 61 9.539 -8.214 -19.696 1.00 0.00 O ATOM 0 H GLY A 61 8.810 -4.870 -17.017 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.963 -5.789 -19.642 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.309 -5.459 -18.570 1.00 0.00 H new ATOM 960 N PHE A 62 10.375 -8.013 -17.589 1.00 0.00 N ATOM 961 CA PHE A 62 10.860 -9.423 -17.373 1.00 0.00 C ATOM 962 C PHE A 62 12.012 -9.811 -18.357 1.00 0.00 C ATOM 963 O PHE A 62 13.181 -9.911 -17.973 1.00 0.00 O ATOM 964 CB PHE A 62 9.767 -10.525 -17.494 1.00 0.00 C ATOM 965 CG PHE A 62 8.637 -10.344 -16.518 1.00 0.00 C ATOM 966 CD1 PHE A 62 8.804 -10.656 -15.158 1.00 0.00 C ATOM 967 CD2 PHE A 62 7.367 -9.939 -16.971 1.00 0.00 C ATOM 968 CE1 PHE A 62 7.723 -10.575 -14.271 1.00 0.00 C ATOM 969 CE2 PHE A 62 6.286 -9.854 -16.085 1.00 0.00 C ATOM 970 CZ PHE A 62 6.462 -10.181 -14.735 1.00 0.00 C ATOM 0 H PHE A 62 10.546 -7.418 -16.778 1.00 0.00 H new ATOM 0 HA PHE A 62 11.209 -9.399 -16.341 1.00 0.00 H new ATOM 0 HB2 PHE A 62 9.367 -10.522 -18.508 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.224 -11.501 -17.334 1.00 0.00 H new ATOM 0 HD1 PHE A 62 9.774 -10.961 -14.794 1.00 0.00 H new ATOM 0 HD2 PHE A 62 7.225 -9.691 -18.013 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.862 -10.817 -13.228 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.318 -9.537 -16.443 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.626 -10.129 -14.053 1.00 0.00 H new ATOM 980 N GLU A 63 11.642 -10.052 -19.599 1.00 0.00 N ATOM 981 CA GLU A 63 12.481 -10.636 -20.663 1.00 0.00 C ATOM 982 C GLU A 63 11.993 -9.987 -22.003 1.00 0.00 C ATOM 983 O GLU A 63 11.237 -10.727 -22.652 1.00 0.00 O ATOM 984 CB GLU A 63 12.406 -12.180 -20.780 1.00 0.00 C ATOM 985 CG GLU A 63 13.018 -12.915 -19.573 1.00 0.00 C ATOM 986 CD GLU A 63 13.059 -14.416 -19.848 1.00 0.00 C ATOM 987 OE1 GLU A 63 13.759 -14.817 -20.818 1.00 0.00 O ATOM 988 OE2 GLU A 63 12.403 -15.179 -19.092 1.00 0.00 O ATOM 0 H GLU A 63 10.699 -9.839 -19.925 1.00 0.00 H new ATOM 0 HA GLU A 63 13.525 -10.427 -20.427 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.363 -12.479 -20.887 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.922 -12.494 -21.687 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.025 -12.543 -19.382 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.429 -12.716 -18.678 1.00 0.00 H new ATOM 995 N PRO A 64 12.298 -8.746 -22.570 1.00 0.00 N ATOM 996 CA PRO A 64 11.468 -8.290 -23.722 1.00 0.00 C ATOM 997 C PRO A 64 12.191 -8.184 -25.110 1.00 0.00 C ATOM 998 O PRO A 64 13.306 -8.678 -25.306 1.00 0.00 O ATOM 999 CB PRO A 64 11.108 -6.866 -23.249 1.00 0.00 C ATOM 1000 CG PRO A 64 12.357 -6.378 -22.504 1.00 0.00 C ATOM 1001 CD PRO A 64 12.829 -7.639 -21.778 1.00 0.00 C ATOM 0 HA PRO A 64 10.661 -8.995 -23.922 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.870 -6.217 -24.092 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.235 -6.874 -22.596 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.115 -5.998 -23.189 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.124 -5.573 -21.807 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.917 -7.679 -21.721 1.00 0.00 H new ATOM 0 HD3 PRO A 64 12.455 -7.670 -20.755 1.00 0.00 H new ATOM 1009 N LYS A 65 11.505 -7.554 -26.083 1.00 0.00 N ATOM 1010 CA LYS A 65 11.954 -7.469 -27.505 1.00 0.00 C ATOM 1011 C LYS A 65 13.312 -6.691 -27.668 1.00 0.00 C ATOM 1012 O LYS A 65 14.352 -7.351 -27.679 1.00 0.00 O ATOM 1013 CB LYS A 65 10.870 -6.880 -28.439 1.00 0.00 C ATOM 1014 CG LYS A 65 11.174 -6.996 -29.947 1.00 0.00 C ATOM 1015 CD LYS A 65 10.185 -6.205 -30.827 1.00 0.00 C ATOM 1016 CE LYS A 65 10.739 -4.887 -31.402 1.00 0.00 C ATOM 1017 NZ LYS A 65 11.231 -3.971 -30.353 1.00 0.00 N ATOM 0 H LYS A 65 10.616 -7.083 -25.913 1.00 0.00 H new ATOM 0 HA LYS A 65 12.128 -8.500 -27.813 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.924 -7.382 -28.235 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.732 -5.827 -28.192 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.186 -6.638 -30.136 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.149 -8.046 -30.237 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.869 -6.841 -31.654 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.295 -5.982 -30.238 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.551 -5.110 -32.094 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.958 -4.389 -31.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.337 -3.015 -30.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.551 -3.947 -29.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.152 -4.305 -30.004 1.00 0.00 H new ATOM 1031 N LYS A 66 13.349 -5.346 -27.754 1.00 0.00 N ATOM 1032 CA LYS A 66 14.613 -4.549 -27.689 1.00 0.00 C ATOM 1033 C LYS A 66 14.298 -3.122 -27.138 1.00 0.00 C ATOM 1034 O LYS A 66 14.462 -2.875 -25.938 1.00 0.00 O ATOM 1035 CB LYS A 66 15.331 -4.365 -29.062 1.00 0.00 C ATOM 1036 CG LYS A 66 16.057 -5.606 -29.614 1.00 0.00 C ATOM 1037 CD LYS A 66 17.302 -6.024 -28.808 1.00 0.00 C ATOM 1038 CE LYS A 66 17.733 -7.478 -29.054 1.00 0.00 C ATOM 1039 NZ LYS A 66 16.840 -8.432 -28.350 1.00 0.00 N ATOM 0 H LYS A 66 12.513 -4.774 -27.870 1.00 0.00 H new ATOM 0 HA LYS A 66 15.280 -5.116 -27.040 1.00 0.00 H new ATOM 0 HB2 LYS A 66 14.592 -4.044 -29.796 1.00 0.00 H new ATOM 0 HB3 LYS A 66 16.056 -3.557 -28.965 1.00 0.00 H new ATOM 0 HG2 LYS A 66 15.357 -6.441 -29.638 1.00 0.00 H new ATOM 0 HG3 LYS A 66 16.355 -5.410 -30.644 1.00 0.00 H new ATOM 0 HD2 LYS A 66 18.129 -5.361 -29.062 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.099 -5.888 -27.746 1.00 0.00 H new ATOM 0 HE2 LYS A 66 17.721 -7.687 -30.124 1.00 0.00 H new ATOM 0 HE3 LYS A 66 18.759 -7.618 -28.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.524 -9.167 -29.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 17.356 -8.875 -27.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.013 -7.923 -27.978 1.00 0.00 H new ATOM 1053 N GLU A 67 13.868 -2.191 -28.003 1.00 0.00 N ATOM 1054 CA GLU A 67 13.646 -0.759 -27.651 1.00 0.00 C ATOM 1055 C GLU A 67 12.226 -0.481 -27.040 1.00 0.00 C ATOM 1056 O GLU A 67 11.411 0.256 -27.607 1.00 0.00 O ATOM 1057 CB GLU A 67 14.009 0.199 -28.827 1.00 0.00 C ATOM 1058 CG GLU A 67 13.132 0.248 -30.109 1.00 0.00 C ATOM 1059 CD GLU A 67 12.799 -1.117 -30.709 1.00 0.00 C ATOM 1060 OE1 GLU A 67 13.704 -1.986 -30.804 1.00 0.00 O ATOM 1061 OE2 GLU A 67 11.607 -1.331 -31.062 1.00 0.00 O ATOM 0 H GLU A 67 13.659 -2.402 -28.979 1.00 0.00 H new ATOM 0 HA GLU A 67 14.345 -0.533 -26.846 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.039 1.210 -28.420 1.00 0.00 H new ATOM 0 HB3 GLU A 67 15.023 -0.048 -29.141 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.201 0.764 -29.876 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.647 0.845 -30.862 1.00 0.00 H new ATOM 1068 N GLU A 68 11.943 -1.046 -25.848 1.00 0.00 N ATOM 1069 CA GLU A 68 10.575 -1.061 -25.257 1.00 0.00 C ATOM 1070 C GLU A 68 10.483 -0.346 -23.886 1.00 0.00 C ATOM 1071 O GLU A 68 9.779 0.660 -23.758 1.00 0.00 O ATOM 1072 CB GLU A 68 10.053 -2.507 -24.995 1.00 0.00 C ATOM 1073 CG GLU A 68 9.206 -3.129 -26.125 1.00 0.00 C ATOM 1074 CD GLU A 68 9.997 -3.291 -27.411 1.00 0.00 C ATOM 1075 OE1 GLU A 68 11.184 -3.698 -27.343 1.00 0.00 O ATOM 1076 OE2 GLU A 68 9.429 -3.030 -28.505 1.00 0.00 O ATOM 0 H GLU A 68 12.645 -1.503 -25.267 1.00 0.00 H new ATOM 0 HA GLU A 68 9.977 -0.541 -26.006 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.910 -3.155 -24.810 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.457 -2.498 -24.082 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.834 -4.102 -25.804 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.335 -2.500 -26.312 1.00 0.00 H new ATOM 1083 N ILE A 69 11.213 -0.822 -22.867 1.00 0.00 N ATOM 1084 CA ILE A 69 11.048 -0.331 -21.462 1.00 0.00 C ATOM 1085 C ILE A 69 11.790 1.040 -21.252 1.00 0.00 C ATOM 1086 O ILE A 69 11.205 1.990 -20.716 1.00 0.00 O ATOM 1087 CB ILE A 69 11.628 -1.401 -20.537 1.00 0.00 C ATOM 1088 CG1 ILE A 69 10.768 -2.695 -20.567 1.00 0.00 C ATOM 1089 CG2 ILE A 69 11.839 -0.854 -19.114 1.00 0.00 C ATOM 1090 CD1 ILE A 69 9.339 -2.545 -20.028 1.00 0.00 C ATOM 0 H ILE A 69 11.925 -1.544 -22.973 1.00 0.00 H new ATOM 0 HA ILE A 69 9.994 -0.160 -21.243 1.00 0.00 H new ATOM 0 HB ILE A 69 12.615 -1.677 -20.909 1.00 0.00 H new ATOM 0 HG12 ILE A 69 10.715 -3.053 -21.595 1.00 0.00 H new ATOM 0 HG13 ILE A 69 11.278 -3.464 -19.988 1.00 0.00 H new ATOM 0 HG21 ILE A 69 12.252 -1.639 -18.480 1.00 0.00 H new ATOM 0 HG22 ILE A 69 12.530 -0.012 -19.147 1.00 0.00 H new ATOM 0 HG23 ILE A 69 10.884 -0.524 -18.706 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.823 -3.503 -20.093 1.00 0.00 H new ATOM 0 HD12 ILE A 69 9.375 -2.222 -18.988 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.803 -1.804 -20.620 1.00 0.00 H new ATOM 1102 N LYS A 70 13.049 1.149 -21.735 1.00 0.00 N ATOM 1103 CA LYS A 70 13.797 2.436 -21.822 1.00 0.00 C ATOM 1104 C LYS A 70 13.136 3.494 -22.781 1.00 0.00 C ATOM 1105 O LYS A 70 13.083 4.673 -22.433 1.00 0.00 O ATOM 1106 CB LYS A 70 15.252 2.196 -22.298 1.00 0.00 C ATOM 1107 CG LYS A 70 16.169 3.431 -22.214 1.00 0.00 C ATOM 1108 CD LYS A 70 17.616 3.136 -22.642 1.00 0.00 C ATOM 1109 CE LYS A 70 18.523 4.374 -22.563 1.00 0.00 C ATOM 1110 NZ LYS A 70 19.909 4.063 -22.990 1.00 0.00 N ATOM 0 H LYS A 70 13.581 0.349 -22.077 1.00 0.00 H new ATOM 0 HA LYS A 70 13.777 2.843 -20.811 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.688 1.395 -21.700 1.00 0.00 H new ATOM 0 HB3 LYS A 70 15.229 1.847 -23.330 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.763 4.221 -22.846 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.168 3.808 -21.191 1.00 0.00 H new ATOM 0 HD2 LYS A 70 18.025 2.350 -22.007 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.618 2.754 -23.663 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.116 5.165 -23.193 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.533 4.754 -21.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 20.493 4.921 -22.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 20.305 3.326 -22.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 19.902 3.724 -23.973 1.00 0.00 H new ATOM 1124 N LYS A 71 12.621 3.062 -23.952 1.00 0.00 N ATOM 1125 CA LYS A 71 11.837 3.917 -24.886 1.00 0.00 C ATOM 1126 C LYS A 71 10.536 4.537 -24.272 1.00 0.00 C ATOM 1127 O LYS A 71 10.376 5.752 -24.382 1.00 0.00 O ATOM 1128 CB LYS A 71 11.486 3.124 -26.170 1.00 0.00 C ATOM 1129 CG LYS A 71 11.178 3.933 -27.452 1.00 0.00 C ATOM 1130 CD LYS A 71 9.759 4.519 -27.544 1.00 0.00 C ATOM 1131 CE LYS A 71 9.300 4.874 -28.970 1.00 0.00 C ATOM 1132 NZ LYS A 71 10.143 5.922 -29.587 1.00 0.00 N ATOM 0 H LYS A 71 12.735 2.104 -24.283 1.00 0.00 H new ATOM 0 HA LYS A 71 12.486 4.761 -25.119 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.317 2.453 -26.388 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.620 2.498 -25.952 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.895 4.751 -27.525 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.342 3.288 -28.315 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.056 3.802 -27.119 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.711 5.417 -26.928 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.325 3.978 -29.591 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.265 5.213 -28.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.586 6.445 -30.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.475 6.578 -28.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.962 5.480 -30.052 1.00 0.00 H new ATOM 1146 N MET A 72 9.648 3.777 -23.583 1.00 0.00 N ATOM 1147 CA MET A 72 8.496 4.380 -22.838 1.00 0.00 C ATOM 1148 C MET A 72 8.942 5.381 -21.707 1.00 0.00 C ATOM 1149 O MET A 72 8.497 6.535 -21.744 1.00 0.00 O ATOM 1150 CB MET A 72 7.556 3.337 -22.180 1.00 0.00 C ATOM 1151 CG MET A 72 6.374 2.838 -23.047 1.00 0.00 C ATOM 1152 SD MET A 72 6.693 1.469 -24.206 1.00 0.00 S ATOM 1153 CE MET A 72 7.094 2.475 -25.659 1.00 0.00 C ATOM 0 H MET A 72 9.699 2.760 -23.523 1.00 0.00 H new ATOM 0 HA MET A 72 7.956 4.913 -23.620 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.154 2.474 -21.887 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.151 3.770 -21.265 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.573 2.529 -22.376 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.999 3.684 -23.623 1.00 0.00 H new ATOM 0 HE1 MET A 72 6.331 2.330 -26.424 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.128 3.527 -25.375 1.00 0.00 H new ATOM 0 HE3 MET A 72 8.065 2.174 -26.053 1.00 0.00 H new ATOM 1163 N ILE A 73 9.809 4.988 -20.731 1.00 0.00 N ATOM 1164 CA ILE A 73 10.195 5.906 -19.600 1.00 0.00 C ATOM 1165 C ILE A 73 10.998 7.171 -20.042 1.00 0.00 C ATOM 1166 O ILE A 73 10.740 8.250 -19.508 1.00 0.00 O ATOM 1167 CB ILE A 73 11.071 5.099 -18.644 1.00 0.00 C ATOM 1168 CG1 ILE A 73 10.287 3.913 -18.025 1.00 0.00 C ATOM 1169 CG2 ILE A 73 11.712 5.977 -17.553 1.00 0.00 C ATOM 1170 CD1 ILE A 73 9.019 4.303 -17.255 1.00 0.00 C ATOM 0 H ILE A 73 10.248 4.068 -20.696 1.00 0.00 H new ATOM 0 HA ILE A 73 9.272 6.270 -19.148 1.00 0.00 H new ATOM 0 HB ILE A 73 11.888 4.688 -19.237 1.00 0.00 H new ATOM 0 HG12 ILE A 73 10.011 3.224 -18.823 1.00 0.00 H new ATOM 0 HG13 ILE A 73 10.951 3.371 -17.351 1.00 0.00 H new ATOM 0 HG21 ILE A 73 12.325 5.356 -16.899 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.336 6.739 -18.019 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.929 6.458 -16.967 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.542 3.406 -16.861 1.00 0.00 H new ATOM 0 HD12 ILE A 73 9.283 4.965 -16.431 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.329 4.816 -17.926 1.00 0.00 H new ATOM 1182 N SER A 74 11.938 7.069 -20.998 1.00 0.00 N ATOM 1183 CA SER A 74 12.599 8.254 -21.597 1.00 0.00 C ATOM 1184 C SER A 74 11.685 9.158 -22.487 1.00 0.00 C ATOM 1185 O SER A 74 11.872 10.376 -22.450 1.00 0.00 O ATOM 1186 CB SER A 74 13.828 7.827 -22.451 1.00 0.00 C ATOM 1187 OG SER A 74 14.658 8.928 -22.820 1.00 0.00 O ATOM 0 H SER A 74 12.261 6.179 -21.377 1.00 0.00 H new ATOM 0 HA SER A 74 12.890 8.853 -20.734 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.420 7.104 -21.890 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.480 7.323 -23.353 1.00 0.00 H new ATOM 0 HG SER A 74 15.414 8.604 -23.353 1.00 0.00 H new ATOM 1193 N GLU A 75 10.768 8.623 -23.320 1.00 0.00 N ATOM 1194 CA GLU A 75 9.948 9.437 -24.259 1.00 0.00 C ATOM 1195 C GLU A 75 8.787 10.231 -23.590 1.00 0.00 C ATOM 1196 O GLU A 75 8.609 11.399 -23.950 1.00 0.00 O ATOM 1197 CB GLU A 75 9.420 8.564 -25.413 1.00 0.00 C ATOM 1198 CG GLU A 75 8.914 9.350 -26.635 1.00 0.00 C ATOM 1199 CD GLU A 75 9.108 8.483 -27.871 1.00 0.00 C ATOM 1200 OE1 GLU A 75 10.294 8.244 -28.231 1.00 0.00 O ATOM 1201 OE2 GLU A 75 8.106 8.007 -28.461 1.00 0.00 O ATOM 0 H GLU A 75 10.572 7.623 -23.365 1.00 0.00 H new ATOM 0 HA GLU A 75 10.624 10.197 -24.650 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.215 7.891 -25.735 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.608 7.941 -25.037 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.862 9.607 -26.512 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.462 10.287 -26.738 1.00 0.00 H new ATOM 1208 N ILE A 76 8.025 9.662 -22.626 1.00 0.00 N ATOM 1209 CA ILE A 76 6.977 10.446 -21.888 1.00 0.00 C ATOM 1210 C ILE A 76 7.551 11.350 -20.731 1.00 0.00 C ATOM 1211 O ILE A 76 6.882 12.311 -20.337 1.00 0.00 O ATOM 1212 CB ILE A 76 5.871 9.515 -21.375 1.00 0.00 C ATOM 1213 CG1 ILE A 76 5.417 8.600 -22.546 1.00 0.00 C ATOM 1214 CG2 ILE A 76 4.684 10.316 -20.779 1.00 0.00 C ATOM 1215 CD1 ILE A 76 4.123 7.831 -22.278 1.00 0.00 C ATOM 0 H ILE A 76 8.104 8.687 -22.338 1.00 0.00 H new ATOM 0 HA ILE A 76 6.550 11.141 -22.611 1.00 0.00 H new ATOM 0 HB ILE A 76 6.259 8.899 -20.564 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.285 9.211 -23.439 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.212 7.886 -22.763 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.919 9.624 -20.426 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.037 10.924 -19.946 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.260 10.964 -21.546 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.878 7.217 -23.145 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.254 7.191 -21.406 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.313 8.536 -22.092 1.00 0.00 H new ATOM 1227 N ASP A 77 8.771 11.089 -20.216 1.00 0.00 N ATOM 1228 CA ASP A 77 9.481 12.022 -19.276 1.00 0.00 C ATOM 1229 C ASP A 77 10.287 13.144 -20.037 1.00 0.00 C ATOM 1230 O ASP A 77 11.521 13.131 -20.076 1.00 0.00 O ATOM 1231 CB ASP A 77 10.432 11.193 -18.349 1.00 0.00 C ATOM 1232 CG ASP A 77 10.698 11.777 -16.957 1.00 0.00 C ATOM 1233 OD1 ASP A 77 10.173 12.877 -16.645 1.00 0.00 O ATOM 1234 OD2 ASP A 77 11.391 11.080 -16.156 1.00 0.00 O ATOM 0 H ASP A 77 9.297 10.241 -20.428 1.00 0.00 H new ATOM 0 HA ASP A 77 8.729 12.533 -18.675 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.008 10.196 -18.227 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.388 11.073 -18.859 1.00 0.00 H new ATOM 1239 N LYS A 78 9.586 14.119 -20.666 1.00 0.00 N ATOM 1240 CA LYS A 78 10.220 15.157 -21.548 1.00 0.00 C ATOM 1241 C LYS A 78 9.486 16.549 -21.646 1.00 0.00 C ATOM 1242 O LYS A 78 9.941 17.395 -22.420 1.00 0.00 O ATOM 1243 CB LYS A 78 10.358 14.681 -23.027 1.00 0.00 C ATOM 1244 CG LYS A 78 11.466 13.642 -23.272 1.00 0.00 C ATOM 1245 CD LYS A 78 11.802 13.477 -24.766 1.00 0.00 C ATOM 1246 CE LYS A 78 13.156 12.801 -25.041 1.00 0.00 C ATOM 1247 NZ LYS A 78 13.141 11.362 -24.701 1.00 0.00 N ATOM 0 H LYS A 78 8.574 14.217 -20.584 1.00 0.00 H new ATOM 0 HA LYS A 78 11.176 15.292 -21.042 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.406 14.258 -23.348 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.549 15.550 -23.657 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.365 13.940 -22.732 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.154 12.680 -22.865 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.014 12.892 -25.241 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.798 14.460 -25.238 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.413 12.921 -26.093 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.934 13.301 -24.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.114 10.994 -24.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.727 11.233 -23.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.571 10.846 -25.401 1.00 0.00 H new ATOM 1261 N GLU A 79 8.391 16.820 -20.909 1.00 0.00 N ATOM 1262 CA GLU A 79 7.640 18.112 -20.994 1.00 0.00 C ATOM 1263 C GLU A 79 7.973 18.949 -19.715 1.00 0.00 C ATOM 1264 O GLU A 79 8.746 19.908 -19.753 1.00 0.00 O ATOM 1265 CB GLU A 79 6.115 17.869 -21.042 1.00 0.00 C ATOM 1266 CG GLU A 79 5.666 17.099 -22.296 1.00 0.00 C ATOM 1267 CD GLU A 79 4.191 16.756 -22.139 1.00 0.00 C ATOM 1268 OE1 GLU A 79 3.874 16.005 -21.176 1.00 0.00 O ATOM 1269 OE2 GLU A 79 3.363 17.250 -22.946 1.00 0.00 O ATOM 0 H GLU A 79 7.995 16.161 -20.238 1.00 0.00 H new ATOM 0 HA GLU A 79 7.934 18.636 -21.904 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.814 17.313 -20.154 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.599 18.828 -21.008 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.823 17.703 -23.190 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.257 16.191 -22.417 1.00 0.00 H new ATOM 1276 N GLY A 80 7.393 18.535 -18.580 1.00 0.00 N ATOM 1277 CA GLY A 80 7.746 19.027 -17.234 1.00 0.00 C ATOM 1278 C GLY A 80 7.544 17.901 -16.197 1.00 0.00 C ATOM 1279 O GLY A 80 6.716 18.042 -15.297 1.00 0.00 O ATOM 0 H GLY A 80 6.651 17.835 -18.568 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.782 19.365 -17.220 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.127 19.886 -16.977 1.00 0.00 H new ATOM 1283 N THR A 81 8.298 16.795 -16.368 1.00 0.00 N ATOM 1284 CA THR A 81 8.135 15.502 -15.635 1.00 0.00 C ATOM 1285 C THR A 81 7.008 14.648 -16.298 1.00 0.00 C ATOM 1286 O THR A 81 5.938 15.129 -16.701 1.00 0.00 O ATOM 1287 CB THR A 81 8.098 15.488 -14.105 1.00 0.00 C ATOM 1288 OG1 THR A 81 6.897 16.030 -13.568 1.00 0.00 O ATOM 1289 CG2 THR A 81 9.320 16.249 -13.547 1.00 0.00 C ATOM 0 H THR A 81 9.065 16.767 -17.040 1.00 0.00 H new ATOM 0 HA THR A 81 9.109 15.030 -15.765 1.00 0.00 H new ATOM 0 HB THR A 81 8.132 14.443 -13.796 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.789 16.954 -13.875 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.290 16.237 -12.457 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.236 15.768 -13.890 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.298 17.280 -13.899 1.00 0.00 H new ATOM 1297 N GLY A 82 7.290 13.342 -16.431 1.00 0.00 N ATOM 1298 CA GLY A 82 6.348 12.384 -17.049 1.00 0.00 C ATOM 1299 C GLY A 82 5.191 11.953 -16.124 1.00 0.00 C ATOM 1300 O GLY A 82 5.343 11.368 -15.052 1.00 0.00 O ATOM 0 H GLY A 82 8.165 12.920 -16.119 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.930 12.832 -17.951 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.900 11.497 -17.360 1.00 0.00 H new ATOM 1304 N LYS A 83 4.013 12.265 -16.628 1.00 0.00 N ATOM 1305 CA LYS A 83 2.713 11.786 -16.087 1.00 0.00 C ATOM 1306 C LYS A 83 1.980 10.973 -17.193 1.00 0.00 C ATOM 1307 O LYS A 83 1.797 11.441 -18.323 1.00 0.00 O ATOM 1308 CB LYS A 83 1.779 12.845 -15.442 1.00 0.00 C ATOM 1309 CG LYS A 83 1.228 13.982 -16.326 1.00 0.00 C ATOM 1310 CD LYS A 83 2.257 15.054 -16.726 1.00 0.00 C ATOM 1311 CE LYS A 83 2.643 14.998 -18.209 1.00 0.00 C ATOM 1312 NZ LYS A 83 3.743 15.939 -18.503 1.00 0.00 N ATOM 0 H LYS A 83 3.908 12.870 -17.442 1.00 0.00 H new ATOM 0 HA LYS A 83 2.971 11.161 -15.232 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.927 12.317 -15.013 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.320 13.303 -14.614 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.809 13.546 -17.233 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.407 14.467 -15.797 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.851 16.040 -16.500 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.154 14.932 -16.119 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.946 13.985 -18.472 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.777 15.241 -18.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.055 15.811 -19.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.410 16.915 -18.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.539 15.754 -17.860 1.00 0.00 H new ATOM 1326 N MET A 84 1.595 9.742 -16.848 1.00 0.00 N ATOM 1327 CA MET A 84 0.938 8.799 -17.788 1.00 0.00 C ATOM 1328 C MET A 84 -0.493 8.437 -17.287 1.00 0.00 C ATOM 1329 O MET A 84 -0.669 8.063 -16.122 1.00 0.00 O ATOM 1330 CB MET A 84 1.777 7.503 -17.892 1.00 0.00 C ATOM 1331 CG MET A 84 1.495 6.642 -19.133 1.00 0.00 C ATOM 1332 SD MET A 84 2.342 5.035 -19.096 1.00 0.00 S ATOM 1333 CE MET A 84 2.778 4.833 -20.845 1.00 0.00 C ATOM 0 H MET A 84 1.725 9.360 -15.911 1.00 0.00 H new ATOM 0 HA MET A 84 0.865 9.277 -18.765 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.833 7.771 -17.887 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.597 6.900 -17.002 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.421 6.477 -19.217 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.804 7.188 -20.024 1.00 0.00 H new ATOM 0 HE1 MET A 84 2.695 3.782 -21.122 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.100 5.425 -21.460 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.802 5.171 -21.006 1.00 0.00 H new ATOM 1343 N ASN A 85 -1.491 8.466 -18.185 1.00 0.00 N ATOM 1344 CA ASN A 85 -2.859 7.932 -17.888 1.00 0.00 C ATOM 1345 C ASN A 85 -2.986 6.485 -18.493 1.00 0.00 C ATOM 1346 O ASN A 85 -2.101 5.963 -19.188 1.00 0.00 O ATOM 1347 CB ASN A 85 -3.908 8.869 -18.575 1.00 0.00 C ATOM 1348 CG ASN A 85 -5.382 8.435 -18.480 1.00 0.00 C ATOM 1349 OD1 ASN A 85 -5.976 8.041 -19.491 1.00 0.00 O ATOM 1350 ND2 ASN A 85 -5.960 8.470 -17.247 1.00 0.00 N ATOM 0 H ASN A 85 -1.391 8.850 -19.125 1.00 0.00 H new ATOM 0 HA ASN A 85 -3.030 7.895 -16.812 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -3.816 9.863 -18.137 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.646 8.959 -19.629 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -6.925 8.162 -17.127 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -5.428 8.804 -16.443 1.00 0.00 H new ATOM 1357 N PHE A 86 -4.083 5.781 -18.168 1.00 0.00 N ATOM 1358 CA PHE A 86 -4.272 4.365 -18.609 1.00 0.00 C ATOM 1359 C PHE A 86 -4.511 4.203 -20.146 1.00 0.00 C ATOM 1360 O PHE A 86 -4.059 3.199 -20.699 1.00 0.00 O ATOM 1361 CB PHE A 86 -5.488 3.744 -17.864 1.00 0.00 C ATOM 1362 CG PHE A 86 -5.589 2.248 -18.042 1.00 0.00 C ATOM 1363 CD1 PHE A 86 -4.595 1.413 -17.514 1.00 0.00 C ATOM 1364 CD2 PHE A 86 -6.672 1.665 -18.726 1.00 0.00 C ATOM 1365 CE1 PHE A 86 -4.685 0.023 -17.639 1.00 0.00 C ATOM 1366 CE2 PHE A 86 -6.758 0.274 -18.871 1.00 0.00 C ATOM 1367 CZ PHE A 86 -5.765 -0.549 -18.321 1.00 0.00 C ATOM 0 H PHE A 86 -4.851 6.152 -17.609 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.340 3.853 -18.368 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.411 3.973 -16.801 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.405 4.210 -18.225 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.749 1.849 -17.004 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.444 2.295 -19.143 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.922 -0.609 -17.209 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.588 -0.164 -19.406 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.833 -1.622 -18.423 1.00 0.00 H new ATOM 1377 N GLY A 87 -5.155 5.163 -20.840 1.00 0.00 N ATOM 1378 CA GLY A 87 -5.188 5.176 -22.330 1.00 0.00 C ATOM 1379 C GLY A 87 -3.788 5.199 -23.018 1.00 0.00 C ATOM 1380 O GLY A 87 -3.568 4.415 -23.944 1.00 0.00 O ATOM 0 H GLY A 87 -5.657 5.936 -20.404 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.732 4.296 -22.675 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.753 6.048 -22.659 1.00 0.00 H new ATOM 1384 N ASP A 88 -2.832 6.017 -22.515 1.00 0.00 N ATOM 1385 CA ASP A 88 -1.402 5.956 -22.931 1.00 0.00 C ATOM 1386 C ASP A 88 -0.769 4.556 -22.609 1.00 0.00 C ATOM 1387 O ASP A 88 -0.299 3.886 -23.529 1.00 0.00 O ATOM 1388 CB ASP A 88 -0.519 6.994 -22.184 1.00 0.00 C ATOM 1389 CG ASP A 88 -1.127 8.393 -22.220 1.00 0.00 C ATOM 1390 OD1 ASP A 88 -1.276 8.953 -23.336 1.00 0.00 O ATOM 1391 OD2 ASP A 88 -1.455 8.911 -21.116 1.00 0.00 O ATOM 0 H ASP A 88 -3.024 6.734 -21.815 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.415 6.159 -24.002 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.390 6.681 -21.148 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.473 7.018 -22.636 1.00 0.00 H new ATOM 1396 N PHE A 89 -0.808 4.099 -21.333 1.00 0.00 N ATOM 1397 CA PHE A 89 -0.207 2.801 -20.897 1.00 0.00 C ATOM 1398 C PHE A 89 -0.762 1.532 -21.620 1.00 0.00 C ATOM 1399 O PHE A 89 0.028 0.733 -22.134 1.00 0.00 O ATOM 1400 CB PHE A 89 -0.389 2.606 -19.364 1.00 0.00 C ATOM 1401 CG PHE A 89 0.499 1.542 -18.744 1.00 0.00 C ATOM 1402 CD1 PHE A 89 1.861 1.394 -19.073 1.00 0.00 C ATOM 1403 CD2 PHE A 89 -0.038 0.711 -17.747 1.00 0.00 C ATOM 1404 CE1 PHE A 89 2.659 0.448 -18.417 1.00 0.00 C ATOM 1405 CE2 PHE A 89 0.756 -0.229 -17.083 1.00 0.00 C ATOM 1406 CZ PHE A 89 2.109 -0.357 -17.414 1.00 0.00 C ATOM 0 H PHE A 89 -1.254 4.614 -20.574 1.00 0.00 H new ATOM 0 HA PHE A 89 0.844 2.885 -21.175 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.194 3.556 -18.866 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.430 2.350 -19.166 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.295 2.018 -19.840 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.083 0.800 -17.489 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.699 0.340 -18.686 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.325 -0.855 -16.316 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.727 -1.075 -16.897 1.00 0.00 H new ATOM 1416 N LEU A 90 -2.095 1.387 -21.711 1.00 0.00 N ATOM 1417 CA LEU A 90 -2.765 0.342 -22.529 1.00 0.00 C ATOM 1418 C LEU A 90 -2.376 0.361 -24.045 1.00 0.00 C ATOM 1419 O LEU A 90 -1.832 -0.635 -24.529 1.00 0.00 O ATOM 1420 CB LEU A 90 -4.304 0.460 -22.404 1.00 0.00 C ATOM 1421 CG LEU A 90 -5.125 -0.701 -23.014 1.00 0.00 C ATOM 1422 CD1 LEU A 90 -4.837 -2.050 -22.327 1.00 0.00 C ATOM 1423 CD2 LEU A 90 -6.632 -0.377 -22.975 1.00 0.00 C ATOM 0 H LEU A 90 -2.750 1.993 -21.217 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.412 -0.606 -22.124 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.558 0.542 -21.347 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.617 1.389 -22.880 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.813 -0.803 -24.053 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.438 -2.831 -22.792 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.780 -2.294 -22.433 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.089 -1.980 -21.269 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.193 -1.205 -23.408 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.945 -0.227 -21.942 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.824 0.530 -23.547 1.00 0.00 H new ATOM 1435 N THR A 91 -2.605 1.475 -24.778 1.00 0.00 N ATOM 1436 CA THR A 91 -2.273 1.563 -26.234 1.00 0.00 C ATOM 1437 C THR A 91 -0.743 1.443 -26.528 1.00 0.00 C ATOM 1438 O THR A 91 -0.360 0.593 -27.339 1.00 0.00 O ATOM 1439 CB THR A 91 -2.864 2.766 -26.960 1.00 0.00 C ATOM 1440 OG1 THR A 91 -2.350 3.999 -26.471 1.00 0.00 O ATOM 1441 CG2 THR A 91 -4.399 2.736 -26.794 1.00 0.00 C ATOM 0 H THR A 91 -3.016 2.326 -24.395 1.00 0.00 H new ATOM 0 HA THR A 91 -2.769 0.685 -26.649 1.00 0.00 H new ATOM 0 HB THR A 91 -2.586 2.700 -28.012 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.743 4.192 -25.594 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.837 3.591 -27.308 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.793 1.814 -27.222 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.651 2.781 -25.735 1.00 0.00 H new ATOM 1449 N VAL A 92 0.119 2.266 -25.893 1.00 0.00 N ATOM 1450 CA VAL A 92 1.592 2.247 -26.144 1.00 0.00 C ATOM 1451 C VAL A 92 2.288 0.909 -25.724 1.00 0.00 C ATOM 1452 O VAL A 92 2.968 0.323 -26.568 1.00 0.00 O ATOM 1453 CB VAL A 92 2.335 3.498 -25.659 1.00 0.00 C ATOM 1454 CG1 VAL A 92 2.797 3.425 -24.188 1.00 0.00 C ATOM 1455 CG2 VAL A 92 3.520 3.767 -26.613 1.00 0.00 C ATOM 0 H VAL A 92 -0.172 2.956 -25.200 1.00 0.00 H new ATOM 0 HA VAL A 92 1.674 2.285 -27.230 1.00 0.00 H new ATOM 0 HB VAL A 92 1.632 4.330 -25.682 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.314 4.347 -23.923 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.930 3.296 -23.540 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.474 2.580 -24.061 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.059 4.654 -26.282 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.193 2.910 -26.608 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.144 3.927 -27.624 1.00 0.00 H new ATOM 1465 N MET A 93 2.117 0.396 -24.485 1.00 0.00 N ATOM 1466 CA MET A 93 2.746 -0.896 -24.072 1.00 0.00 C ATOM 1467 C MET A 93 2.173 -2.165 -24.794 1.00 0.00 C ATOM 1468 O MET A 93 2.981 -2.970 -25.272 1.00 0.00 O ATOM 1469 CB MET A 93 2.672 -1.122 -22.545 1.00 0.00 C ATOM 1470 CG MET A 93 3.582 -2.254 -22.029 1.00 0.00 C ATOM 1471 SD MET A 93 5.352 -2.063 -22.430 1.00 0.00 S ATOM 1472 CE MET A 93 5.705 -0.700 -21.286 1.00 0.00 C ATOM 0 H MET A 93 1.559 0.843 -23.757 1.00 0.00 H new ATOM 0 HA MET A 93 3.784 -0.782 -24.385 1.00 0.00 H new ATOM 0 HB2 MET A 93 2.941 -0.195 -22.038 1.00 0.00 H new ATOM 0 HB3 MET A 93 1.641 -1.347 -22.272 1.00 0.00 H new ATOM 0 HG2 MET A 93 3.475 -2.321 -20.946 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.231 -3.199 -22.443 1.00 0.00 H new ATOM 0 HE1 MET A 93 6.781 -0.536 -21.236 1.00 0.00 H new ATOM 0 HE2 MET A 93 5.216 0.208 -21.640 1.00 0.00 H new ATOM 0 HE3 MET A 93 5.330 -0.951 -20.294 1.00 0.00 H new ATOM 1482 N THR A 94 0.836 -2.354 -24.919 1.00 0.00 N ATOM 1483 CA THR A 94 0.269 -3.525 -25.661 1.00 0.00 C ATOM 1484 C THR A 94 0.590 -3.490 -27.189 1.00 0.00 C ATOM 1485 O THR A 94 1.185 -4.464 -27.653 1.00 0.00 O ATOM 1486 CB THR A 94 -1.211 -3.821 -25.423 1.00 0.00 C ATOM 1487 OG1 THR A 94 -2.089 -2.834 -25.955 1.00 0.00 O ATOM 1488 CG2 THR A 94 -1.469 -3.999 -23.912 1.00 0.00 C ATOM 0 H THR A 94 0.135 -1.727 -24.526 1.00 0.00 H new ATOM 0 HA THR A 94 0.798 -4.365 -25.211 1.00 0.00 H new ATOM 0 HB THR A 94 -1.432 -4.743 -25.961 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.140 -2.074 -25.338 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.525 -4.210 -23.746 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.870 -4.828 -23.536 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.194 -3.085 -23.386 1.00 0.00 H new ATOM 1496 N GLN A 95 0.273 -2.420 -27.965 1.00 0.00 N ATOM 1497 CA GLN A 95 0.640 -2.375 -29.417 1.00 0.00 C ATOM 1498 C GLN A 95 2.182 -2.356 -29.736 1.00 0.00 C ATOM 1499 O GLN A 95 2.568 -2.885 -30.780 1.00 0.00 O ATOM 1500 CB GLN A 95 0.002 -1.135 -30.099 1.00 0.00 C ATOM 1501 CG GLN A 95 0.056 -1.084 -31.641 1.00 0.00 C ATOM 1502 CD GLN A 95 -0.902 -2.100 -32.275 1.00 0.00 C ATOM 1503 OE1 GLN A 95 -2.029 -1.735 -32.635 1.00 0.00 O ATOM 1504 NE2 GLN A 95 -0.452 -3.379 -32.424 1.00 0.00 N ATOM 0 H GLN A 95 -0.222 -1.595 -27.627 1.00 0.00 H new ATOM 0 HA GLN A 95 0.251 -3.314 -29.811 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.043 -1.079 -29.794 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.495 -0.243 -29.712 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.200 -0.081 -31.981 1.00 0.00 H new ATOM 0 HG3 GLN A 95 1.074 -1.284 -31.977 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.486 -3.629 -32.111 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.053 -4.085 -32.849 1.00 0.00 H new ATOM 1513 N LYS A 96 3.064 -1.778 -28.893 1.00 0.00 N ATOM 1514 CA LYS A 96 4.540 -1.949 -29.057 1.00 0.00 C ATOM 1515 C LYS A 96 5.077 -3.409 -28.801 1.00 0.00 C ATOM 1516 O LYS A 96 5.959 -3.844 -29.547 1.00 0.00 O ATOM 1517 CB LYS A 96 5.294 -0.983 -28.112 1.00 0.00 C ATOM 1518 CG LYS A 96 6.796 -0.797 -28.383 1.00 0.00 C ATOM 1519 CD LYS A 96 7.103 -0.198 -29.765 1.00 0.00 C ATOM 1520 CE LYS A 96 8.496 0.434 -29.867 1.00 0.00 C ATOM 1521 NZ LYS A 96 9.555 -0.524 -29.510 1.00 0.00 N ATOM 0 H LYS A 96 2.794 -1.195 -28.100 1.00 0.00 H new ATOM 0 HA LYS A 96 4.730 -1.726 -30.107 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.813 -0.006 -28.167 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.173 -1.341 -27.090 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.218 -0.150 -27.614 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.295 -1.762 -28.296 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.013 -0.980 -30.519 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.353 0.558 -29.998 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.659 0.795 -30.883 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.552 1.301 -29.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.015 -0.221 -28.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.139 -1.468 -29.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.261 -0.562 -30.273 1.00 0.00 H new ATOM 1535 N MET A 97 4.577 -4.158 -27.792 1.00 0.00 N ATOM 1536 CA MET A 97 4.890 -5.612 -27.645 1.00 0.00 C ATOM 1537 C MET A 97 4.156 -6.550 -28.672 1.00 0.00 C ATOM 1538 O MET A 97 4.844 -7.250 -29.420 1.00 0.00 O ATOM 1539 CB MET A 97 4.596 -6.111 -26.211 1.00 0.00 C ATOM 1540 CG MET A 97 5.525 -5.457 -25.169 1.00 0.00 C ATOM 1541 SD MET A 97 5.288 -6.071 -23.471 1.00 0.00 S ATOM 1542 CE MET A 97 6.912 -5.543 -22.849 1.00 0.00 C ATOM 0 H MET A 97 3.959 -3.790 -27.069 1.00 0.00 H new ATOM 0 HA MET A 97 5.956 -5.678 -27.861 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.558 -5.894 -25.958 1.00 0.00 H new ATOM 0 HB3 MET A 97 4.714 -7.194 -26.173 1.00 0.00 H new ATOM 0 HG2 MET A 97 6.560 -5.627 -25.464 1.00 0.00 H new ATOM 0 HG3 MET A 97 5.363 -4.379 -25.180 1.00 0.00 H new ATOM 0 HE1 MET A 97 7.006 -5.817 -21.798 1.00 0.00 H new ATOM 0 HE2 MET A 97 7.698 -6.033 -23.423 1.00 0.00 H new ATOM 0 HE3 MET A 97 7.007 -4.462 -22.952 1.00 0.00 H new ATOM 1552 N SER A 98 2.807 -6.601 -28.699 1.00 0.00 N ATOM 1553 CA SER A 98 2.028 -7.295 -29.761 1.00 0.00 C ATOM 1554 C SER A 98 1.862 -6.450 -31.059 1.00 0.00 C ATOM 1555 O SER A 98 1.059 -5.479 -31.010 1.00 0.00 O ATOM 1556 CB SER A 98 0.639 -7.804 -29.293 1.00 0.00 C ATOM 1557 OG SER A 98 -0.184 -6.740 -28.836 1.00 0.00 O ATOM 1558 OXT SER A 98 2.497 -6.790 -32.088 1.00 0.00 O ATOM 0 H SER A 98 2.222 -6.164 -27.987 1.00 0.00 H new ATOM 0 HA SER A 98 2.640 -8.166 -29.994 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.144 -8.319 -30.116 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.769 -8.533 -28.493 1.00 0.00 H new ATOM 0 HG SER A 98 0.379 -6.011 -28.501 1.00 0.00 H new