USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 499 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 59 ASN : amide:sc= 0.478! C(o=1.7!,f=-6.9!) USER MOD Set 1.2: A 61 SER OG : rot -78:sc= 1.21 USER MOD Set 2.1: A 41 THR OG1 : rot 134:sc= 1.34 USER MOD Set 2.2: A 43 SER OG : rot 180:sc= 0.904 USER MOD Single : A 27 CYS SG : rot -13:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 170:sc= 1.19 (180deg=1.1) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 175:sc= 0.571 (180deg=0.523) USER MOD Single : A 36 SER OG : rot -37:sc= 1.25 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -96:sc= 1.23 USER MOD Single : A 51 SER OG : rot 69:sc= 1.23 USER MOD Single : A 52 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.0081) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 169:sc= 1.04 (180deg=0.786) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -0.0227 X(o=-0.023,f=-0.38) USER MOD Single : A 70 SER OG : rot -21:sc= 0.24 USER MOD Single : A 77 THR OG1 : rot 78:sc= 1.23 USER MOD Single : A 78 MET CE :methyl 159:sc= -0.11 (180deg=-0.614) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 71:sc= 0.0319 USER MOD ----------------------------------------------------------------- ATOM 397 N ALA A 26 -3.426 7.176 -21.486 1.00 0.00 N0 ATOM 398 CA ALA A 26 -3.254 5.735 -21.626 1.00 0.00 C0 ATOM 399 C ALA A 26 -4.394 4.975 -20.959 1.00 0.00 C0 ATOM 400 O ALA A 26 -4.817 3.924 -21.439 1.00 0.00 O0 ATOM 401 CB ALA A 26 -1.917 5.302 -21.043 1.00 0.00 C0 ATOM 0 HA ALA A 26 -3.269 5.497 -22.690 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.803 4.224 -21.155 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.109 5.809 -21.570 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.880 5.563 -19.985 1.00 0.00 H new ATOM 407 N CYS A 27 -4.887 5.515 -19.850 1.00 0.00 N0 ATOM 408 CA CYS A 27 -5.979 4.888 -19.113 1.00 0.00 C0 ATOM 409 C CYS A 27 -7.172 5.828 -18.993 1.00 0.00 C0 ATOM 410 O CYS A 27 -7.853 5.853 -17.968 1.00 0.00 O0 ATOM 411 CB CYS A 27 -5.518 4.477 -17.716 1.00 0.00 C0 ATOM 412 SG CYS A 27 -4.199 3.239 -17.707 1.00 0.00 S0 ATOM 0 H CYS A 27 -4.548 6.386 -19.441 1.00 0.00 H new ATOM 0 HA CYS A 27 -6.284 4.002 -19.670 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.173 5.363 -17.184 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -6.372 4.086 -17.164 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.074 2.729 -18.896 1.00 0.00 H new ATOM 418 N LYS A 28 -7.420 6.599 -20.046 1.00 0.00 N0 ATOM 419 CA LYS A 28 -8.519 7.558 -20.051 1.00 0.00 C0 ATOM 420 C LYS A 28 -9.867 6.850 -20.039 1.00 0.00 C0 ATOM 421 O LYS A 28 -10.889 7.446 -19.698 1.00 0.00 O0 ATOM 422 CB LYS A 28 -8.419 8.480 -21.268 1.00 0.00 C0 ATOM 423 CG LYS A 28 -8.702 7.797 -22.599 1.00 0.00 C0 ATOM 424 CD LYS A 28 -8.497 8.753 -23.765 1.00 0.00 C0 ATOM 425 CE LYS A 28 -8.732 8.060 -25.099 1.00 0.00 C0 ATOM 426 NZ LYS A 28 -10.172 7.757 -25.322 1.00 0.00 N1+ ATOM 0 H LYS A 28 -6.875 6.579 -20.908 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.442 8.159 -19.145 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.119 9.306 -21.141 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.419 8.912 -21.300 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.046 6.934 -22.714 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.726 7.423 -22.608 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.178 9.599 -23.668 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.484 9.154 -23.735 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.365 8.694 -25.907 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.157 7.135 -25.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.313 7.443 -26.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.473 7.004 -24.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.738 8.612 -25.148 1.00 0.00 H new ATOM 440 N GLU A 29 -9.864 5.576 -20.416 1.00 0.00 N0 ATOM 441 CA GLU A 29 -11.087 4.781 -20.440 1.00 0.00 C0 ATOM 442 C GLU A 29 -11.320 4.087 -19.104 1.00 0.00 C0 ATOM 443 O GLU A 29 -12.370 3.485 -18.881 1.00 0.00 O0 ATOM 444 CB GLU A 29 -11.025 3.742 -21.561 1.00 0.00 C0 ATOM 445 CG GLU A 29 -10.886 4.332 -22.958 1.00 0.00 C0 ATOM 446 CD GLU A 29 -12.064 5.177 -23.356 1.00 0.00 C0 ATOM 447 OE1 GLU A 29 -13.173 4.778 -23.095 1.00 0.00 O0 ATOM 448 OE2 GLU A 29 -11.854 6.225 -23.921 1.00 0.00 O1- ATOM 0 H GLU A 29 -9.028 5.071 -20.709 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.921 5.458 -20.624 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.183 3.075 -21.376 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.928 3.132 -21.525 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.980 4.936 -23.003 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.766 3.523 -23.678 1.00 0.00 H new ATOM 455 N ASP A 30 -10.333 4.174 -18.218 1.00 0.00 N0 ATOM 456 CA ASP A 30 -10.424 3.544 -16.906 1.00 0.00 C0 ATOM 457 C ASP A 30 -10.626 4.582 -15.809 1.00 0.00 C0 ATOM 458 O ASP A 30 -11.287 4.317 -14.805 1.00 0.00 O0 ATOM 459 CB ASP A 30 -9.164 2.726 -16.615 1.00 0.00 C0 ATOM 460 CG ASP A 30 -8.984 1.554 -17.571 1.00 0.00 C0 ATOM 461 OD1 ASP A 30 -9.890 0.763 -17.686 1.00 0.00 O0 ATOM 462 OD2 ASP A 30 -7.944 1.461 -18.177 1.00 0.00 O1- ATOM 0 H ASP A 30 -9.460 4.675 -18.385 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.288 2.880 -16.918 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.292 3.377 -16.678 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.209 2.351 -15.593 1.00 0.00 H new ATOM 467 N ILE A 31 -10.054 5.765 -16.009 1.00 0.00 N0 ATOM 468 CA ILE A 31 -10.120 6.825 -15.010 1.00 0.00 C0 ATOM 469 C ILE A 31 -11.243 7.806 -15.320 1.00 0.00 C0 ATOM 470 O ILE A 31 -11.285 8.395 -16.401 1.00 0.00 O0 ATOM 471 CB ILE A 31 -8.783 7.585 -14.927 1.00 0.00 C0 ATOM 472 CG1 ILE A 31 -7.649 6.628 -14.550 1.00 0.00 C0 ATOM 473 CG2 ILE A 31 -8.880 8.723 -13.923 1.00 0.00 C0 ATOM 474 CD1 ILE A 31 -6.269 7.226 -14.708 1.00 0.00 C0 ATOM 0 H ILE A 31 -9.540 6.013 -16.854 1.00 0.00 H new ATOM 0 HA ILE A 31 -10.323 6.352 -14.049 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.563 8.010 -15.906 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -7.782 6.312 -13.515 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.720 5.733 -15.168 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.927 9.250 -13.877 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -9.663 9.416 -14.233 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -9.120 8.321 -12.939 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.518 6.489 -14.422 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.115 7.517 -15.747 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.178 8.104 -14.068 1.00 0.00 H new ATOM 486 N PRO A 32 -12.154 7.976 -14.367 1.00 0.00 N0 ATOM 487 CA PRO A 32 -13.248 8.927 -14.515 1.00 0.00 C0 ATOM 488 C PRO A 32 -12.726 10.322 -14.835 1.00 0.00 C0 ATOM 489 O PRO A 32 -11.666 10.724 -14.356 1.00 0.00 O0 ATOM 490 CB PRO A 32 -13.932 8.881 -13.145 1.00 0.00 C0 ATOM 491 CG PRO A 32 -13.628 7.515 -12.631 1.00 0.00 C0 ATOM 492 CD PRO A 32 -12.218 7.248 -13.087 1.00 0.00 C0 ATOM 0 HA PRO A 32 -13.923 8.684 -15.335 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -13.544 9.652 -12.480 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.006 9.045 -13.230 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -13.709 7.472 -11.545 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -14.322 6.776 -13.032 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -11.483 7.618 -12.372 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.028 6.182 -13.216 1.00 0.00 H new ATOM 500 N SER A 33 -13.478 11.058 -15.647 1.00 0.00 N0 ATOM 501 CA SER A 33 -13.069 12.391 -16.073 1.00 0.00 C0 ATOM 502 C SER A 33 -12.908 13.325 -14.881 1.00 0.00 C0 ATOM 503 O SER A 33 -12.078 14.233 -14.898 1.00 0.00 O0 ATOM 504 CB SER A 33 -14.083 12.963 -17.044 1.00 0.00 C0 ATOM 505 OG SER A 33 -15.308 13.199 -16.408 1.00 0.00 O0 ATOM 0 H SER A 33 -14.375 10.753 -16.024 1.00 0.00 H new ATOM 0 HA SER A 33 -12.103 12.304 -16.570 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.703 13.893 -17.466 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.227 12.272 -17.874 1.00 0.00 H new ATOM 0 HG SER A 33 -15.946 13.569 -17.053 1.00 0.00 H new ATOM 511 N GLU A 34 -13.710 13.098 -13.845 1.00 0.00 N0 ATOM 512 CA GLU A 34 -13.589 13.850 -12.602 1.00 0.00 C0 ATOM 513 C GLU A 34 -12.276 13.538 -11.895 1.00 0.00 C0 ATOM 514 O GLU A 34 -11.655 14.419 -11.302 1.00 0.00 O0 ATOM 515 CB GLU A 34 -14.765 13.540 -11.675 1.00 0.00 C0 ATOM 516 CG GLU A 34 -16.106 14.074 -12.159 1.00 0.00 C0 ATOM 517 CD GLU A 34 -17.246 13.699 -11.254 1.00 0.00 C0 ATOM 518 OE1 GLU A 34 -17.041 12.901 -10.372 1.00 0.00 O0 ATOM 519 OE2 GLU A 34 -18.324 14.210 -11.447 1.00 0.00 O1- ATOM 0 H GLU A 34 -14.452 12.398 -13.843 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.600 14.911 -12.852 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -14.841 12.459 -11.553 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -14.555 13.958 -10.690 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.052 15.160 -12.237 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.303 13.692 -13.161 1.00 0.00 H new ATOM 526 N LYS A 35 -11.859 12.278 -11.963 1.00 0.00 N0 ATOM 527 CA LYS A 35 -10.628 11.843 -11.313 1.00 0.00 C0 ATOM 528 C LYS A 35 -9.402 12.288 -12.099 1.00 0.00 C0 ATOM 529 O LYS A 35 -8.333 12.505 -11.530 1.00 0.00 O0 ATOM 530 CB LYS A 35 -10.621 10.323 -11.143 1.00 0.00 C0 ATOM 531 CG LYS A 35 -11.650 9.796 -10.152 1.00 0.00 C0 ATOM 532 CD LYS A 35 -11.453 10.407 -8.773 1.00 0.00 C0 ATOM 533 CE LYS A 35 -12.560 9.988 -7.817 1.00 0.00 C0 ATOM 534 NZ LYS A 35 -12.470 10.699 -6.513 1.00 0.00 N1+ ATOM 0 H LYS A 35 -12.356 11.540 -12.462 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.588 12.310 -10.329 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.799 9.860 -12.114 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.629 10.011 -10.818 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.654 10.022 -10.512 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.572 8.711 -10.086 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.488 10.099 -8.371 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.432 11.494 -8.854 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.529 10.190 -8.274 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.505 8.913 -7.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.289 10.448 -5.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.595 10.421 -6.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.463 11.726 -6.677 1.00 0.00 H new ATOM 548 N SER A 36 -9.564 12.423 -13.411 1.00 0.00 N0 ATOM 549 CA SER A 36 -8.487 12.899 -14.270 1.00 0.00 C0 ATOM 550 C SER A 36 -8.129 14.346 -13.955 1.00 0.00 C0 ATOM 551 O SER A 36 -7.037 14.810 -14.282 1.00 0.00 O0 ATOM 552 CB SER A 36 -8.888 12.774 -15.727 1.00 0.00 C0 ATOM 553 OG SER A 36 -9.838 13.745 -16.072 1.00 0.00 O0 ATOM 0 H SER A 36 -10.432 12.209 -13.903 1.00 0.00 H new ATOM 0 HA SER A 36 -7.609 12.281 -14.082 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.007 12.880 -16.361 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.295 11.780 -15.912 1.00 0.00 H new ATOM 0 HG SER A 36 -10.456 13.879 -15.323 1.00 0.00 H new ATOM 559 N GLU A 37 -9.055 15.054 -13.318 1.00 0.00 N0 ATOM 560 CA GLU A 37 -8.792 16.407 -12.841 1.00 0.00 C0 ATOM 561 C GLU A 37 -8.140 16.388 -11.465 1.00 0.00 C0 ATOM 562 O GLU A 37 -7.325 17.253 -11.142 1.00 0.00 O0 ATOM 563 CB GLU A 37 -10.090 17.216 -12.790 1.00 0.00 C0 ATOM 564 CG GLU A 37 -10.712 17.493 -14.151 1.00 0.00 C0 ATOM 565 CD GLU A 37 -11.981 18.295 -14.061 1.00 0.00 C0 ATOM 566 OE1 GLU A 37 -12.406 18.580 -12.968 1.00 0.00 O0 ATOM 567 OE2 GLU A 37 -12.525 18.626 -15.089 1.00 0.00 O1- ATOM 0 H GLU A 37 -9.996 14.713 -13.120 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.103 16.879 -13.541 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.814 16.680 -12.176 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.892 18.166 -12.294 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.993 18.028 -14.772 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.921 16.546 -14.649 1.00 0.00 H new ATOM 574 N GLU A 38 -8.501 15.397 -10.658 1.00 0.00 N0 ATOM 575 CA GLU A 38 -7.921 15.240 -9.330 1.00 0.00 C0 ATOM 576 C GLU A 38 -6.446 14.870 -9.413 1.00 0.00 C0 ATOM 577 O GLU A 38 -5.643 15.289 -8.580 1.00 0.00 O0 ATOM 578 CB GLU A 38 -8.681 14.174 -8.538 1.00 0.00 C0 ATOM 579 CG GLU A 38 -10.091 14.579 -8.130 1.00 0.00 C0 ATOM 580 CD GLU A 38 -10.759 13.563 -7.246 1.00 0.00 C0 ATOM 581 OE1 GLU A 38 -10.066 12.776 -6.650 1.00 0.00 O0 ATOM 582 OE2 GLU A 38 -11.965 13.575 -7.169 1.00 0.00 O1- ATOM 0 H GLU A 38 -9.194 14.689 -10.901 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.006 16.197 -8.815 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.736 13.265 -9.137 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.112 13.931 -7.641 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.052 15.536 -7.610 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.695 14.727 -9.026 1.00 0.00 H new ATOM 589 N ILE A 39 -6.096 14.079 -10.422 1.00 0.00 N0 ATOM 590 CA ILE A 39 -4.717 13.643 -10.610 1.00 0.00 C0 ATOM 591 C ILE A 39 -3.784 14.832 -10.803 1.00 0.00 C0 ATOM 592 O ILE A 39 -3.826 15.505 -11.834 1.00 0.00 O0 ATOM 593 CB ILE A 39 -4.602 12.697 -11.820 1.00 0.00 C0 ATOM 594 CG1 ILE A 39 -5.364 11.397 -11.556 1.00 0.00 C0 ATOM 595 CG2 ILE A 39 -3.140 12.409 -12.131 1.00 0.00 C0 ATOM 596 CD1 ILE A 39 -5.523 10.523 -12.780 1.00 0.00 C0 ATOM 0 H ILE A 39 -6.749 13.727 -11.122 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.419 13.108 -9.708 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.048 13.185 -12.687 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.843 10.832 -10.783 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.352 11.639 -11.163 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.076 11.739 -12.988 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.626 13.342 -12.360 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.670 11.939 -11.267 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.073 9.620 -12.514 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.071 11.069 -13.548 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.539 10.249 -13.162 1.00 0.00 H new ATOM 608 N THR A 40 -2.944 15.087 -9.806 1.00 0.00 N0 ATOM 609 CA THR A 40 -1.865 16.057 -9.942 1.00 0.00 C0 ATOM 610 C THR A 40 -0.505 15.395 -9.767 1.00 0.00 C0 ATOM 611 O THR A 40 0.528 15.975 -10.104 1.00 0.00 O0 ATOM 612 CB THR A 40 -2.017 17.203 -8.925 1.00 0.00 C0 ATOM 613 OG1 THR A 40 -1.976 16.673 -7.594 1.00 0.00 O0 ATOM 614 CG2 THR A 40 -3.336 17.931 -9.135 1.00 0.00 C0 ATOM 0 H THR A 40 -2.990 14.634 -8.893 1.00 0.00 H new ATOM 0 HA THR A 40 -1.928 16.470 -10.949 1.00 0.00 H new ATOM 0 HB THR A 40 -1.197 17.907 -9.069 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.071 17.404 -6.948 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.426 18.738 -8.407 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.366 18.346 -10.142 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.162 17.232 -9.006 1.00 0.00 H new ATOM 622 N THR A 41 -0.508 14.176 -9.239 1.00 0.00 N0 ATOM 623 CA THR A 41 0.724 13.425 -9.034 1.00 0.00 C0 ATOM 624 C THR A 41 0.652 12.055 -9.698 1.00 0.00 C0 ATOM 625 O THR A 41 -0.391 11.663 -10.220 1.00 0.00 O0 ATOM 626 CB THR A 41 1.028 13.257 -7.534 1.00 0.00 C0 ATOM 627 OG1 THR A 41 0.031 12.423 -6.931 1.00 0.00 O0 ATOM 628 CG2 THR A 41 1.040 14.609 -6.838 1.00 0.00 C0 ATOM 0 H THR A 41 -1.353 13.686 -8.945 1.00 0.00 H new ATOM 0 HA THR A 41 1.530 13.996 -9.495 1.00 0.00 H new ATOM 0 HB THR A 41 2.010 12.796 -7.428 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.465 11.754 -6.361 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.256 14.471 -5.779 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.806 15.242 -7.286 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.066 15.085 -6.950 1.00 0.00 H new ATOM 636 N GLY A 42 1.765 11.332 -9.672 1.00 0.00 N0 ATOM 637 CA GLY A 42 1.803 9.966 -10.180 1.00 0.00 C0 ATOM 638 C GLY A 42 1.168 8.994 -9.194 1.00 0.00 C0 ATOM 639 O GLY A 42 0.653 7.946 -9.585 1.00 0.00 O0 ATOM 0 H GLY A 42 2.654 11.669 -9.304 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.278 9.915 -11.134 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.836 9.674 -10.369 1.00 0.00 H new ATOM 643 N SER A 43 1.206 9.348 -7.914 1.00 0.00 N0 ATOM 644 CA SER A 43 0.549 8.556 -6.881 1.00 0.00 C0 ATOM 645 C SER A 43 -0.967 8.661 -6.984 1.00 0.00 C0 ATOM 646 O SER A 43 -1.687 7.707 -6.689 1.00 0.00 O0 ATOM 647 CB SER A 43 1.004 9.011 -5.507 1.00 0.00 C0 ATOM 648 OG SER A 43 0.561 10.313 -5.237 1.00 0.00 O0 ATOM 0 H SER A 43 1.685 10.179 -7.567 1.00 0.00 H new ATOM 0 HA SER A 43 0.829 7.513 -7.029 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.621 8.328 -4.749 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.092 8.974 -5.449 1.00 0.00 H new ATOM 0 HG SER A 43 0.865 10.584 -4.346 1.00 0.00 H new ATOM 654 N ALA A 44 -1.446 9.827 -7.406 1.00 0.00 N0 ATOM 655 CA ALA A 44 -2.868 10.023 -7.659 1.00 0.00 C0 ATOM 656 C ALA A 44 -3.342 9.165 -8.825 1.00 0.00 C0 ATOM 657 O ALA A 44 -4.339 8.450 -8.716 1.00 0.00 O0 ATOM 658 CB ALA A 44 -3.160 11.492 -7.930 1.00 0.00 C0 ATOM 0 H ALA A 44 -0.870 10.650 -7.580 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.415 9.714 -6.768 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.226 11.623 -8.117 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.868 12.087 -7.064 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.596 11.820 -8.803 1.00 0.00 H new ATOM 664 N TRP A 45 -2.624 9.241 -9.940 1.00 0.00 N0 ATOM 665 CA TRP A 45 -2.953 8.448 -11.119 1.00 0.00 C0 ATOM 666 C TRP A 45 -2.976 6.960 -10.793 1.00 0.00 C0 ATOM 667 O TRP A 45 -3.914 6.250 -11.154 1.00 0.00 O0 ATOM 668 CB TRP A 45 -1.944 8.713 -12.238 1.00 0.00 C0 ATOM 669 CG TRP A 45 -2.131 7.829 -13.434 1.00 0.00 C0 ATOM 670 CD1 TRP A 45 -2.987 8.035 -14.474 1.00 0.00 C0 ATOM 671 CD2 TRP A 45 -1.443 6.587 -13.721 1.00 0.00 C0 ATOM 672 NE1 TRP A 45 -2.881 7.012 -15.383 1.00 0.00 N0 ATOM 673 CE2 TRP A 45 -1.939 6.117 -14.939 1.00 0.00 C0 ATOM 674 CE3 TRP A 45 -0.460 5.848 -13.050 1.00 0.00 C0 ATOM 675 CZ2 TRP A 45 -1.490 4.937 -15.508 1.00 0.00 C0 ATOM 676 CZ3 TRP A 45 -0.007 4.666 -13.622 1.00 0.00 C0 ATOM 677 CH2 TRP A 45 -0.509 4.222 -14.820 1.00 0.00 C0 ATOM 0 H TRP A 45 -1.809 9.844 -10.052 1.00 0.00 H new ATOM 0 HA TRP A 45 -3.948 8.745 -11.452 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -2.024 9.754 -12.550 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -0.936 8.574 -11.848 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -3.652 8.880 -14.569 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -3.415 6.930 -16.248 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.062 6.191 -12.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -1.884 4.583 -16.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 0.752 4.087 -13.116 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -0.136 3.299 -15.239 1.00 0.00 H new ATOM 688 N PHE A 46 -1.937 6.493 -10.108 1.00 0.00 N0 ATOM 689 CA PHE A 46 -1.780 5.071 -9.828 1.00 0.00 C0 ATOM 690 C PHE A 46 -2.822 4.588 -8.829 1.00 0.00 C0 ATOM 691 O PHE A 46 -3.451 3.548 -9.028 1.00 0.00 O0 ATOM 692 CB PHE A 46 -0.377 4.784 -9.289 1.00 0.00 C0 ATOM 693 CG PHE A 46 -0.032 3.323 -9.244 1.00 0.00 C0 ATOM 694 CD1 PHE A 46 0.613 2.714 -10.311 1.00 0.00 C0 ATOM 695 CD2 PHE A 46 -0.353 2.552 -8.136 1.00 0.00 C0 ATOM 696 CE1 PHE A 46 0.930 1.370 -10.271 1.00 0.00 C0 ATOM 697 CE2 PHE A 46 -0.036 1.209 -8.094 1.00 0.00 C0 ATOM 698 CZ PHE A 46 0.606 0.618 -9.163 1.00 0.00 C0 ATOM 0 H PHE A 46 -1.190 7.080 -9.736 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.923 4.531 -10.764 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.354 5.301 -9.911 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.292 5.199 -8.285 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.870 3.297 -11.183 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.857 3.008 -7.296 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.432 0.909 -11.109 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.290 0.621 -7.225 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.854 -0.433 -9.131 1.00 0.00 H new ATOM 708 N SER A 47 -3.001 5.347 -7.754 1.00 0.00 N0 ATOM 709 CA SER A 47 -3.857 4.925 -6.652 1.00 0.00 C0 ATOM 710 C SER A 47 -5.324 4.928 -7.060 1.00 0.00 C0 ATOM 711 O SER A 47 -6.141 4.214 -6.480 1.00 0.00 O0 ATOM 712 CB SER A 47 -3.653 5.835 -5.455 1.00 0.00 C0 ATOM 713 OG SER A 47 -4.098 7.135 -5.732 1.00 0.00 O0 ATOM 0 H SER A 47 -2.564 6.259 -7.622 1.00 0.00 H new ATOM 0 HA SER A 47 -3.580 3.906 -6.383 1.00 0.00 H new ATOM 0 HB2 SER A 47 -4.192 5.437 -4.595 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.597 5.858 -5.186 1.00 0.00 H new ATOM 0 HG SER A 47 -3.339 7.688 -6.011 1.00 0.00 H new ATOM 719 N PHE A 48 -5.652 5.737 -8.062 1.00 0.00 N0 ATOM 720 CA PHE A 48 -7.003 5.768 -8.611 1.00 0.00 C0 ATOM 721 C PHE A 48 -7.310 4.495 -9.390 1.00 0.00 C0 ATOM 722 O PHE A 48 -8.385 3.911 -9.245 1.00 0.00 O0 ATOM 723 CB PHE A 48 -7.182 6.984 -9.521 1.00 0.00 C0 ATOM 724 CG PHE A 48 -7.321 8.282 -8.778 1.00 0.00 C0 ATOM 725 CD1 PHE A 48 -7.469 8.295 -7.399 1.00 0.00 C0 ATOM 726 CD2 PHE A 48 -7.305 9.491 -9.455 1.00 0.00 C0 ATOM 727 CE1 PHE A 48 -7.597 9.489 -6.714 1.00 0.00 C0 ATOM 728 CE2 PHE A 48 -7.432 10.685 -8.774 1.00 0.00 C0 ATOM 729 CZ PHE A 48 -7.578 10.684 -7.401 1.00 0.00 C0 ATOM 0 H PHE A 48 -5.000 6.380 -8.511 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.699 5.839 -7.775 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.327 7.051 -10.194 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.066 6.835 -10.141 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -7.484 7.362 -6.855 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.192 9.499 -10.529 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.712 9.486 -5.640 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.417 11.620 -9.315 1.00 0.00 H new ATOM 0 HZ PHE A 48 -7.677 11.617 -6.867 1.00 0.00 H new ATOM 739 N LEU A 49 -6.360 4.068 -10.215 1.00 0.00 N0 ATOM 740 CA LEU A 49 -6.486 2.811 -10.942 1.00 0.00 C0 ATOM 741 C LEU A 49 -6.456 1.619 -9.993 1.00 0.00 C0 ATOM 742 O LEU A 49 -7.116 0.608 -10.231 1.00 0.00 O0 ATOM 743 CB LEU A 49 -5.357 2.681 -11.973 1.00 0.00 C0 ATOM 744 CG LEU A 49 -5.437 3.633 -13.173 1.00 0.00 C0 ATOM 745 CD1 LEU A 49 -4.158 3.529 -13.991 1.00 0.00 C0 ATOM 746 CD2 LEU A 49 -6.657 3.288 -14.015 1.00 0.00 C0 ATOM 0 H LEU A 49 -5.494 4.575 -10.397 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.447 2.816 -11.455 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.406 2.845 -11.466 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.347 1.657 -12.346 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.539 4.661 -12.827 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.215 4.206 -14.844 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.305 3.801 -13.369 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.036 2.506 -14.347 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.714 3.965 -14.868 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.575 2.261 -14.371 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.558 3.391 -13.410 1.00 0.00 H new ATOM 758 N GLU A 50 -5.685 1.746 -8.918 1.00 0.00 N0 ATOM 759 CA GLU A 50 -5.712 0.767 -7.838 1.00 0.00 C0 ATOM 760 C GLU A 50 -7.086 0.703 -7.185 1.00 0.00 C0 ATOM 761 O GLU A 50 -7.638 -0.378 -6.981 1.00 0.00 O0 ATOM 762 CB GLU A 50 -4.653 1.105 -6.786 1.00 0.00 C0 ATOM 763 CG GLU A 50 -4.575 0.115 -5.632 1.00 0.00 C0 ATOM 764 CD GLU A 50 -3.512 0.468 -4.629 1.00 0.00 C0 ATOM 765 OE1 GLU A 50 -2.836 1.449 -4.829 1.00 0.00 O0 ATOM 766 OE2 GLU A 50 -3.375 -0.245 -3.663 1.00 0.00 O1- ATOM 0 H GLU A 50 -5.034 2.517 -8.772 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.492 -0.210 -8.269 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.679 1.155 -7.272 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.861 2.097 -6.385 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.542 0.073 -5.130 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.378 -0.881 -6.027 1.00 0.00 H new ATOM 773 N SER A 51 -7.636 1.869 -6.860 1.00 0.00 N0 ATOM 774 CA SER A 51 -8.927 1.946 -6.186 1.00 0.00 C0 ATOM 775 C SER A 51 -10.031 1.334 -7.040 1.00 0.00 C0 ATOM 776 O SER A 51 -10.945 0.692 -6.522 1.00 0.00 O0 ATOM 777 CB SER A 51 -9.263 3.389 -5.867 1.00 0.00 C0 ATOM 778 OG SER A 51 -8.360 3.920 -4.937 1.00 0.00 O0 ATOM 0 H SER A 51 -7.207 2.774 -7.053 1.00 0.00 H new ATOM 0 HA SER A 51 -8.857 1.378 -5.259 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.240 3.982 -6.781 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.277 3.451 -5.472 1.00 0.00 H new ATOM 0 HG SER A 51 -7.479 4.017 -5.355 1.00 0.00 H new ATOM 784 N HIS A 52 -9.940 1.537 -8.349 1.00 0.00 N0 ATOM 785 CA HIS A 52 -10.969 1.068 -9.271 1.00 0.00 C0 ATOM 786 C HIS A 52 -10.644 -0.323 -9.797 1.00 0.00 C0 ATOM 787 O HIS A 52 -11.320 -0.833 -10.691 1.00 0.00 O0 ATOM 788 CB HIS A 52 -11.129 2.040 -10.444 1.00 0.00 C0 ATOM 789 CG HIS A 52 -11.685 3.374 -10.048 1.00 0.00 C0 ATOM 790 ND1 HIS A 52 -12.939 3.522 -9.493 1.00 0.00 N0 ATOM 791 CD2 HIS A 52 -11.158 4.618 -10.128 1.00 0.00 C0 ATOM 792 CE1 HIS A 52 -13.159 4.802 -9.248 1.00 0.00 C0 ATOM 793 NE2 HIS A 52 -12.095 5.487 -9.624 1.00 0.00 N0 ATOM 0 H HIS A 52 -9.164 2.024 -8.797 1.00 0.00 H new ATOM 0 HA HIS A 52 -11.907 1.019 -8.719 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -10.158 2.187 -10.918 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -11.784 1.590 -11.191 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -10.184 4.879 -10.515 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -14.057 5.217 -8.814 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -11.986 6.499 -9.552 1.00 0.00 H new ATOM 801 N ASN A 53 -9.604 -0.933 -9.240 1.00 0.00 N0 ATOM 802 CA ASN A 53 -9.215 -2.287 -9.619 1.00 0.00 C0 ATOM 803 C ASN A 53 -8.938 -2.382 -11.114 1.00 0.00 C0 ATOM 804 O ASN A 53 -9.310 -3.359 -11.763 1.00 0.00 O0 ATOM 805 CB ASN A 53 -10.284 -3.284 -9.210 1.00 0.00 C0 ATOM 806 CG ASN A 53 -10.473 -3.348 -7.720 1.00 0.00 C0 ATOM 807 OD1 ASN A 53 -9.499 -3.349 -6.957 1.00 0.00 O0 ATOM 808 ND2 ASN A 53 -11.707 -3.404 -7.289 1.00 0.00 N0 ATOM 0 H ASN A 53 -9.014 -0.511 -8.523 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.293 -2.531 -9.091 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -11.229 -3.012 -9.681 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.015 -4.273 -9.582 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.896 -3.451 -6.288 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -12.480 -3.401 -7.954 1.00 0.00 H new ATOM 815 N LYS A 54 -8.283 -1.361 -11.655 1.00 0.00 N0 ATOM 816 CA LYS A 54 -7.960 -1.324 -13.077 1.00 0.00 C0 ATOM 817 C LYS A 54 -6.486 -1.625 -13.315 1.00 0.00 C0 ATOM 818 O LYS A 54 -6.117 -2.194 -14.343 1.00 0.00 O0 ATOM 819 CB LYS A 54 -8.323 0.037 -13.673 1.00 0.00 C0 ATOM 820 CG LYS A 54 -9.798 0.398 -13.567 1.00 0.00 C0 ATOM 821 CD LYS A 54 -10.662 -0.565 -14.368 1.00 0.00 C0 ATOM 822 CE LYS A 54 -12.127 -0.154 -14.336 1.00 0.00 C0 ATOM 823 NZ LYS A 54 -12.988 -1.106 -15.086 1.00 0.00 N1+ ATOM 0 H LYS A 54 -7.965 -0.547 -11.130 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.549 -2.095 -13.573 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.736 0.807 -13.172 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.033 0.049 -14.724 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.104 0.381 -12.521 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.953 1.415 -13.928 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.314 -0.596 -15.400 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.556 -1.572 -13.965 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.465 -0.097 -13.301 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.233 0.844 -14.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.978 -0.790 -15.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.682 -1.142 -16.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.907 -2.053 -14.664 1.00 0.00 H new ATOM 837 N LEU A 55 -5.647 -1.239 -12.360 1.00 0.00 N0 ATOM 838 CA LEU A 55 -4.210 -1.461 -12.467 1.00 0.00 C0 ATOM 839 C LEU A 55 -3.663 -2.144 -11.220 1.00 0.00 C0 ATOM 840 O LEU A 55 -3.874 -1.676 -10.101 1.00 0.00 O0 ATOM 841 CB LEU A 55 -3.484 -0.127 -12.687 1.00 0.00 C0 ATOM 842 CG LEU A 55 -1.962 -0.220 -12.858 1.00 0.00 C0 ATOM 843 CD1 LEU A 55 -1.639 -0.981 -14.136 1.00 0.00 C0 ATOM 844 CD2 LEU A 55 -1.369 1.182 -12.891 1.00 0.00 C0 ATOM 0 H LEU A 55 -5.938 -0.770 -11.502 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.035 -2.115 -13.321 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.902 0.352 -13.572 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.697 0.526 -11.841 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.525 -0.759 -12.018 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.558 -1.047 -14.257 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.059 -1.985 -14.078 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.068 -0.457 -14.990 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.288 1.117 -13.012 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.795 1.738 -13.726 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.599 1.696 -11.958 1.00 0.00 H new ATOM 856 N ASP A 56 -2.960 -3.253 -11.420 1.00 0.00 N0 ATOM 857 CA ASP A 56 -2.367 -3.994 -10.313 1.00 0.00 C0 ATOM 858 C ASP A 56 -1.245 -3.199 -9.656 1.00 0.00 C0 ATOM 859 O ASP A 56 -0.550 -2.427 -10.315 1.00 0.00 O0 ATOM 860 CB ASP A 56 -1.827 -5.342 -10.798 1.00 0.00 C0 ATOM 861 CG ASP A 56 -2.932 -6.326 -11.161 1.00 0.00 C0 ATOM 862 OD1 ASP A 56 -4.062 -6.075 -10.814 1.00 0.00 O0 ATOM 863 OD2 ASP A 56 -2.636 -7.319 -11.780 1.00 0.00 O1- ATOM 0 H ASP A 56 -2.787 -3.659 -12.339 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.149 -4.165 -9.574 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.190 -5.181 -11.668 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.200 -5.778 -10.020 1.00 0.00 H new ATOM 868 N LYS A 57 -1.074 -3.394 -8.353 1.00 0.00 N0 ATOM 869 CA LYS A 57 -0.090 -2.639 -7.588 1.00 0.00 C0 ATOM 870 C LYS A 57 1.329 -2.976 -8.032 1.00 0.00 C0 ATOM 871 O LYS A 57 2.262 -2.209 -7.795 1.00 0.00 O0 ATOM 872 CB LYS A 57 -0.250 -2.910 -6.092 1.00 0.00 C0 ATOM 873 CG LYS A 57 0.102 -4.330 -5.668 1.00 0.00 C0 ATOM 874 CD LYS A 57 -0.008 -4.499 -4.160 1.00 0.00 C0 ATOM 875 CE LYS A 57 0.151 -5.957 -3.754 1.00 0.00 C0 ATOM 876 NZ LYS A 57 1.453 -6.522 -4.203 1.00 0.00 N1+ ATOM 0 H LYS A 57 -1.605 -4.070 -7.804 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.264 -1.580 -7.776 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.379 -2.212 -5.540 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.281 -2.704 -5.806 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.564 -5.036 -6.165 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.116 -4.567 -5.990 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.756 -3.897 -3.668 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.975 -4.128 -3.820 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.073 -6.042 -2.670 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.664 -6.543 -4.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.604 -7.447 -3.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.443 -6.638 -5.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.223 -5.876 -3.934 1.00 0.00 H new ATOM 890 N ASP A 58 1.483 -4.127 -8.677 1.00 0.00 N0 ATOM 891 CA ASP A 58 2.795 -4.591 -9.114 1.00 0.00 C0 ATOM 892 C ASP A 58 2.966 -4.416 -10.618 1.00 0.00 C0 ATOM 893 O ASP A 58 3.927 -4.917 -11.205 1.00 0.00 O0 ATOM 894 CB ASP A 58 2.998 -6.059 -8.738 1.00 0.00 C0 ATOM 895 CG ASP A 58 3.048 -6.284 -7.232 1.00 0.00 C0 ATOM 896 OD1 ASP A 58 3.795 -5.600 -6.574 1.00 0.00 O0 ATOM 897 OD2 ASP A 58 2.338 -7.138 -6.755 1.00 0.00 O1- ATOM 0 H ASP A 58 0.715 -4.757 -8.909 1.00 0.00 H new ATOM 0 HA ASP A 58 3.546 -3.986 -8.607 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.188 -6.653 -9.162 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.925 -6.418 -9.185 1.00 0.00 H new ATOM 902 N ASN A 59 2.030 -3.706 -11.237 1.00 0.00 N0 ATOM 903 CA ASN A 59 2.083 -3.453 -12.672 1.00 0.00 C0 ATOM 904 C ASN A 59 2.574 -2.041 -12.965 1.00 0.00 C0 ATOM 905 O ASN A 59 1.818 -1.077 -12.860 1.00 0.00 O0 ATOM 906 CB ASN A 59 0.726 -3.689 -13.307 1.00 0.00 C0 ATOM 907 CG ASN A 59 0.752 -3.531 -14.802 1.00 0.00 C0 ATOM 908 OD1 ASN A 59 1.568 -2.778 -15.345 1.00 0.00 O0 ATOM 909 ND2 ASN A 59 -0.127 -4.226 -15.477 1.00 0.00 N0 ATOM 0 H ASN A 59 1.224 -3.295 -10.767 1.00 0.00 H new ATOM 0 HA ASN A 59 2.796 -4.153 -13.109 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.382 -4.693 -13.057 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.004 -2.990 -12.884 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.158 -4.159 -16.494 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.781 -4.835 -14.986 1.00 0.00 H new ATOM 916 N LEU A 60 3.847 -1.926 -13.333 1.00 0.00 N0 ATOM 917 CA LEU A 60 4.440 -0.632 -13.645 1.00 0.00 C0 ATOM 918 C LEU A 60 4.767 -0.520 -15.129 1.00 0.00 C0 ATOM 919 O LEU A 60 5.702 0.180 -15.517 1.00 0.00 O0 ATOM 920 CB LEU A 60 5.713 -0.418 -12.817 1.00 0.00 C0 ATOM 921 CG LEU A 60 5.520 -0.393 -11.295 1.00 0.00 C0 ATOM 922 CD1 LEU A 60 6.880 -0.362 -10.611 1.00 0.00 C0 ATOM 923 CD2 LEU A 60 4.686 0.819 -10.909 1.00 0.00 C0 ATOM 0 H LEU A 60 4.487 -2.715 -13.422 1.00 0.00 H new ATOM 0 HA LEU A 60 3.712 0.139 -13.394 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.421 -1.210 -13.062 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.169 0.524 -13.123 1.00 0.00 H new ATOM 0 HG LEU A 60 4.993 -1.290 -10.971 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.743 -0.344 -9.530 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.448 -1.249 -10.890 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.424 0.530 -10.923 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.549 0.837 -9.828 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.197 1.728 -11.225 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.713 0.762 -11.397 1.00 0.00 H new ATOM 935 N SER A 61 3.992 -1.215 -15.954 1.00 0.00 N0 ATOM 936 CA SER A 61 4.239 -1.248 -17.391 1.00 0.00 C0 ATOM 937 C SER A 61 3.970 0.109 -18.028 1.00 0.00 C0 ATOM 938 O SER A 61 4.594 0.472 -19.024 1.00 0.00 O0 ATOM 939 CB SER A 61 3.371 -2.306 -18.046 1.00 0.00 C0 ATOM 940 OG SER A 61 2.011 -1.988 -17.918 1.00 0.00 O0 ATOM 0 H SER A 61 3.187 -1.764 -15.652 1.00 0.00 H new ATOM 0 HA SER A 61 5.289 -1.495 -17.546 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.630 -2.393 -19.101 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.566 -3.276 -17.589 1.00 0.00 H new ATOM 0 HG SER A 61 1.707 -2.210 -17.013 1.00 0.00 H new ATOM 946 N TYR A 62 3.038 0.855 -17.446 1.00 0.00 N0 ATOM 947 CA TYR A 62 2.744 2.208 -17.902 1.00 0.00 C0 ATOM 948 C TYR A 62 3.821 3.187 -17.454 1.00 0.00 C0 ATOM 949 O TYR A 62 4.144 4.138 -18.165 1.00 0.00 O0 ATOM 950 CB TYR A 62 1.373 2.659 -17.394 1.00 0.00 C0 ATOM 951 CG TYR A 62 0.213 1.926 -18.032 1.00 0.00 C0 ATOM 952 CD1 TYR A 62 -0.471 0.954 -17.317 1.00 0.00 C0 ATOM 953 CD2 TYR A 62 -0.164 2.225 -19.333 1.00 0.00 C0 ATOM 954 CE1 TYR A 62 -1.530 0.285 -17.901 1.00 0.00 C0 ATOM 955 CE2 TYR A 62 -1.222 1.555 -19.916 1.00 0.00 C0 ATOM 956 CZ TYR A 62 -1.904 0.589 -19.205 1.00 0.00 C0 ATOM 957 OH TYR A 62 -2.957 -0.077 -19.786 1.00 0.00 O0 ATOM 0 H TYR A 62 2.472 0.545 -16.656 1.00 0.00 H new ATOM 0 HA TYR A 62 2.729 2.197 -18.992 1.00 0.00 H new ATOM 0 HB2 TYR A 62 1.331 2.516 -16.314 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.261 3.727 -17.579 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.176 0.720 -16.305 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.369 2.981 -19.890 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.065 -0.471 -17.346 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.516 1.787 -20.929 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.090 0.254 -20.699 1.00 0.00 H new ATOM 967 N ILE A 63 4.374 2.949 -16.269 1.00 0.00 N0 ATOM 968 CA ILE A 63 5.449 3.781 -15.744 1.00 0.00 C0 ATOM 969 C ILE A 63 6.738 3.578 -16.531 1.00 0.00 C0 ATOM 970 O ILE A 63 7.441 4.536 -16.848 1.00 0.00 O0 ATOM 971 CB ILE A 63 5.703 3.478 -14.256 1.00 0.00 C0 ATOM 972 CG1 ILE A 63 4.454 3.792 -13.428 1.00 0.00 C0 ATOM 973 CG2 ILE A 63 6.897 4.272 -13.747 1.00 0.00 C0 ATOM 974 CD1 ILE A 63 4.000 5.231 -13.529 1.00 0.00 C0 ATOM 0 H ILE A 63 4.094 2.185 -15.654 1.00 0.00 H new ATOM 0 HA ILE A 63 5.134 4.819 -15.847 1.00 0.00 H new ATOM 0 HB ILE A 63 5.928 2.417 -14.151 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.642 3.141 -13.752 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.654 3.556 -12.383 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.062 4.046 -12.694 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.784 4.002 -14.320 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.701 5.338 -13.863 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.111 5.376 -12.916 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.795 5.889 -13.177 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.767 5.467 -14.567 1.00 0.00 H new ATOM 986 N GLU A 64 7.043 2.323 -16.843 1.00 0.00 N0 ATOM 987 CA GLU A 64 8.191 1.999 -17.680 1.00 0.00 C0 ATOM 988 C GLU A 64 8.035 2.577 -19.081 1.00 0.00 C0 ATOM 989 O GLU A 64 8.998 3.062 -19.674 1.00 0.00 O0 ATOM 990 CB GLU A 64 8.380 0.482 -17.764 1.00 0.00 C0 ATOM 991 CG GLU A 64 8.829 -0.169 -16.463 1.00 0.00 C0 ATOM 992 CD GLU A 64 8.793 -1.671 -16.517 1.00 0.00 C0 ATOM 993 OE1 GLU A 64 8.400 -2.200 -17.528 1.00 0.00 O0 ATOM 994 OE2 GLU A 64 9.160 -2.289 -15.545 1.00 0.00 O1- ATOM 0 H GLU A 64 6.510 1.513 -16.528 1.00 0.00 H new ATOM 0 HA GLU A 64 9.072 2.446 -17.220 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.440 0.028 -18.078 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.115 0.262 -18.539 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.843 0.157 -16.231 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.189 0.176 -15.651 1.00 0.00 H new ATOM 1001 N HIS A 65 6.813 2.526 -19.603 1.00 0.00 N0 ATOM 1002 CA HIS A 65 6.514 3.103 -20.908 1.00 0.00 C0 ATOM 1003 C HIS A 65 6.876 4.581 -20.952 1.00 0.00 C0 ATOM 1004 O HIS A 65 7.495 5.051 -21.908 1.00 0.00 O0 ATOM 1005 CB HIS A 65 5.032 2.925 -21.251 1.00 0.00 C0 ATOM 1006 CG HIS A 65 4.659 3.450 -22.603 1.00 0.00 C0 ATOM 1007 ND1 HIS A 65 5.098 2.867 -23.774 1.00 0.00 N0 ATOM 1008 CD2 HIS A 65 3.892 4.503 -22.970 1.00 0.00 C0 ATOM 1009 CE1 HIS A 65 4.615 3.541 -24.803 1.00 0.00 C0 ATOM 1010 NE2 HIS A 65 3.881 4.537 -24.343 1.00 0.00 N0 ATOM 0 H HIS A 65 6.014 2.091 -19.142 1.00 0.00 H new ATOM 0 HA HIS A 65 7.117 2.575 -21.647 1.00 0.00 H new ATOM 0 HB2 HIS A 65 4.781 1.865 -21.201 1.00 0.00 H new ATOM 0 HB3 HIS A 65 4.430 3.431 -20.496 1.00 0.00 H new ATOM 0 HD2 HIS A 65 3.384 5.188 -22.307 1.00 0.00 H new ATOM 0 HE1 HIS A 65 4.791 3.315 -25.844 1.00 0.00 H new ATOM 0 HE2 HIS A 65 3.386 5.221 -24.915 1.00 0.00 H new ATOM 1018 N ILE A 66 6.487 5.313 -19.914 1.00 0.00 N0 ATOM 1019 CA ILE A 66 6.842 6.722 -19.792 1.00 0.00 C0 ATOM 1020 C ILE A 66 8.353 6.913 -19.802 1.00 0.00 C0 ATOM 1021 O ILE A 66 8.866 7.846 -20.419 1.00 0.00 O0 ATOM 1022 CB ILE A 66 6.256 7.327 -18.503 1.00 0.00 C0 ATOM 1023 CG1 ILE A 66 4.730 7.407 -18.597 1.00 0.00 C0 ATOM 1024 CG2 ILE A 66 6.850 8.703 -18.244 1.00 0.00 C0 ATOM 1025 CD1 ILE A 66 4.233 8.297 -19.713 1.00 0.00 C0 ATOM 0 H ILE A 66 5.924 4.953 -19.143 1.00 0.00 H new ATOM 0 HA ILE A 66 6.418 7.238 -20.653 1.00 0.00 H new ATOM 0 HB ILE A 66 6.515 6.679 -17.666 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.331 6.403 -18.741 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.336 7.774 -17.649 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.425 9.116 -17.329 1.00 0.00 H new ATOM 0 HG22 ILE A 66 7.931 8.618 -18.136 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.620 9.362 -19.081 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.143 8.303 -19.716 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.601 9.312 -19.560 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.596 7.919 -20.669 1.00 0.00 H new ATOM 1037 N PHE A 67 9.061 6.022 -19.115 1.00 0.00 N0 ATOM 1038 CA PHE A 67 10.513 6.103 -19.026 1.00 0.00 C0 ATOM 1039 C PHE A 67 11.168 5.724 -20.348 1.00 0.00 C0 ATOM 1040 O PHE A 67 12.263 6.190 -20.666 1.00 0.00 O0 ATOM 1041 CB PHE A 67 11.032 5.190 -17.914 1.00 0.00 C0 ATOM 1042 CG PHE A 67 10.669 5.653 -16.532 1.00 0.00 C0 ATOM 1043 CD1 PHE A 67 10.269 6.960 -16.305 1.00 0.00 C0 ATOM 1044 CD2 PHE A 67 10.729 4.781 -15.455 1.00 0.00 C0 ATOM 1045 CE1 PHE A 67 9.935 7.387 -15.034 1.00 0.00 C0 ATOM 1046 CE2 PHE A 67 10.395 5.203 -14.183 1.00 0.00 C0 ATOM 1047 CZ PHE A 67 9.997 6.509 -13.972 1.00 0.00 C0 ATOM 0 H PHE A 67 8.651 5.235 -18.612 1.00 0.00 H new ATOM 0 HA PHE A 67 10.773 7.136 -18.795 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.636 4.186 -18.067 1.00 0.00 H new ATOM 0 HB3 PHE A 67 12.117 5.120 -17.991 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.218 7.653 -17.131 1.00 0.00 H new ATOM 0 HD2 PHE A 67 11.041 3.759 -15.613 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.625 8.409 -14.872 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.445 4.513 -13.354 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.735 6.842 -12.978 1.00 0.00 H new ATOM 1057 N GLU A 68 10.493 4.876 -21.116 1.00 0.00 N0 ATOM 1058 CA GLU A 68 10.917 4.569 -22.477 1.00 0.00 C0 ATOM 1059 C GLU A 68 10.737 5.771 -23.395 1.00 0.00 C0 ATOM 1060 O GLU A 68 11.565 6.025 -24.270 1.00 0.00 O0 ATOM 1061 CB GLU A 68 10.131 3.375 -23.024 1.00 0.00 C0 ATOM 1062 CG GLU A 68 10.487 2.041 -22.383 1.00 0.00 C0 ATOM 1063 CD GLU A 68 9.595 0.918 -22.835 1.00 0.00 C0 ATOM 1064 OE1 GLU A 68 8.551 1.195 -23.373 1.00 0.00 O0 ATOM 1065 OE2 GLU A 68 9.959 -0.218 -22.640 1.00 0.00 O1- ATOM 0 H GLU A 68 9.648 4.388 -20.818 1.00 0.00 H new ATOM 0 HA GLU A 68 11.977 4.317 -22.446 1.00 0.00 H new ATOM 0 HB2 GLU A 68 9.066 3.560 -22.881 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.301 3.305 -24.098 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.522 1.794 -22.620 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.422 2.136 -21.299 1.00 0.00 H new ATOM 1072 N ILE A 69 9.650 6.508 -23.190 1.00 0.00 N0 ATOM 1073 CA ILE A 69 9.408 7.738 -23.936 1.00 0.00 C0 ATOM 1074 C ILE A 69 10.470 8.786 -23.630 1.00 0.00 C0 ATOM 1075 O ILE A 69 10.998 9.430 -24.536 1.00 0.00 O0 ATOM 1076 CB ILE A 69 8.015 8.308 -23.614 1.00 0.00 C0 ATOM 1077 CG1 ILE A 69 6.921 7.391 -24.166 1.00 0.00 C0 ATOM 1078 CG2 ILE A 69 7.872 9.713 -24.179 1.00 0.00 C0 ATOM 1079 CD1 ILE A 69 5.535 7.719 -23.659 1.00 0.00 C0 ATOM 0 H ILE A 69 8.923 6.275 -22.514 1.00 0.00 H new ATOM 0 HA ILE A 69 9.456 7.490 -24.996 1.00 0.00 H new ATOM 0 HB ILE A 69 7.904 8.361 -22.531 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.923 7.453 -25.254 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.159 6.360 -23.905 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.881 10.101 -23.942 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.630 10.361 -23.739 1.00 0.00 H new ATOM 0 HG23 ILE A 69 8.002 9.685 -25.261 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.815 7.026 -24.095 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.514 7.629 -22.573 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.275 8.739 -23.944 1.00 0.00 H new ATOM 1091 N SER A 70 10.778 8.951 -22.348 1.00 0.00 N0 ATOM 1092 CA SER A 70 11.815 9.885 -21.925 1.00 0.00 C0 ATOM 1093 C SER A 70 13.202 9.369 -22.286 1.00 0.00 C0 ATOM 1094 O SER A 70 14.176 10.123 -22.282 1.00 0.00 O0 ATOM 1095 CB SER A 70 11.727 10.120 -20.429 1.00 0.00 C0 ATOM 1096 OG SER A 70 12.108 8.974 -19.718 1.00 0.00 O0 ATOM 0 H SER A 70 10.324 8.450 -21.584 1.00 0.00 H new ATOM 0 HA SER A 70 11.653 10.827 -22.450 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.369 10.956 -20.150 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.708 10.397 -20.160 1.00 0.00 H new ATOM 0 HG SER A 70 12.027 8.188 -20.297 1.00 0.00 H new ATOM 1102 N ARG A 71 13.286 8.081 -22.598 1.00 0.00 N0 ATOM 1103 CA ARG A 71 14.548 7.470 -22.999 1.00 0.00 C0 ATOM 1104 C ARG A 71 15.589 7.578 -21.893 1.00 0.00 C0 ATOM 1105 O ARG A 71 16.699 8.061 -22.118 1.00 0.00 O0 ATOM 1106 CB ARG A 71 15.083 8.129 -24.262 1.00 0.00 C0 ATOM 1107 CG ARG A 71 14.179 8.009 -25.478 1.00 0.00 C0 ATOM 1108 CD ARG A 71 14.802 8.607 -26.687 1.00 0.00 C0 ATOM 1109 NE ARG A 71 13.942 8.492 -27.854 1.00 0.00 N0 ATOM 1110 CZ ARG A 71 14.226 9.003 -29.068 1.00 0.00 C0 ATOM 1111 NH1 ARG A 71 15.350 9.661 -29.257 1.00 0.00 N1+ ATOM 1112 NH2 ARG A 71 13.377 8.845 -30.067 1.00 0.00 N0 ATOM 0 H ARG A 71 12.494 7.439 -22.581 1.00 0.00 H new ATOM 0 HA ARG A 71 14.354 6.415 -23.195 1.00 0.00 H new ATOM 0 HB2 ARG A 71 15.255 9.186 -24.058 1.00 0.00 H new ATOM 0 HB3 ARG A 71 16.051 7.689 -24.502 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.958 6.958 -25.665 1.00 0.00 H new ATOM 0 HG3 ARG A 71 13.229 8.504 -25.276 1.00 0.00 H new ATOM 0 HD2 ARG A 71 15.021 9.658 -26.500 1.00 0.00 H new ATOM 0 HD3 ARG A 71 15.753 8.114 -26.887 1.00 0.00 H new ATOM 0 HE ARG A 71 13.061 7.989 -27.746 1.00 0.00 H new ATOM 0 HH11 ARG A 71 16.005 9.784 -28.485 1.00 0.00 H new ATOM 0 HH12 ARG A 71 15.566 10.048 -30.176 1.00 0.00 H new ATOM 0 HH21 ARG A 71 12.505 8.336 -29.920 1.00 0.00 H new ATOM 0 HH22 ARG A 71 13.593 9.232 -30.986 1.00 0.00 H new ATOM 1126 N ARG A 72 15.225 7.126 -20.698 1.00 0.00 N0 ATOM 1127 CA ARG A 72 16.131 7.162 -19.557 1.00 0.00 C0 ATOM 1128 C ARG A 72 16.281 5.782 -18.929 1.00 0.00 C0 ATOM 1129 O ARG A 72 15.538 5.419 -18.018 1.00 0.00 O0 ATOM 1130 CB ARG A 72 15.629 8.141 -18.506 1.00 0.00 C0 ATOM 1131 CG ARG A 72 15.644 9.600 -18.933 1.00 0.00 C0 ATOM 1132 CD ARG A 72 17.022 10.077 -19.215 1.00 0.00 C0 ATOM 1133 NE ARG A 72 17.910 9.868 -18.083 1.00 0.00 N0 ATOM 1134 CZ ARG A 72 18.039 10.716 -17.045 1.00 0.00 C0 ATOM 1135 NH1 ARG A 72 17.333 11.825 -17.010 1.00 0.00 N1+ ATOM 1136 NH2 ARG A 72 18.877 10.436 -16.062 1.00 0.00 N0 ATOM 0 H ARG A 72 14.307 6.730 -20.495 1.00 0.00 H new ATOM 0 HA ARG A 72 17.104 7.489 -19.922 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.610 7.868 -18.233 1.00 0.00 H new ATOM 0 HB3 ARG A 72 16.239 8.033 -17.609 1.00 0.00 H new ATOM 0 HG2 ARG A 72 15.027 9.725 -19.823 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.200 10.213 -18.149 1.00 0.00 H new ATOM 0 HD2 ARG A 72 17.416 9.554 -20.087 1.00 0.00 H new ATOM 0 HD3 ARG A 72 16.995 11.138 -19.464 1.00 0.00 H new ATOM 0 HE ARG A 72 18.475 9.019 -18.074 1.00 0.00 H new ATOM 0 HH11 ARG A 72 16.688 12.043 -17.769 1.00 0.00 H new ATOM 0 HH12 ARG A 72 17.431 12.467 -16.224 1.00 0.00 H new ATOM 0 HH21 ARG A 72 19.427 9.577 -16.089 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.974 11.079 -15.276 1.00 0.00 H new ATOM 1150 N PRO A 73 17.249 5.016 -19.422 1.00 0.00 N0 ATOM 1151 CA PRO A 73 17.565 3.715 -18.846 1.00 0.00 C0 ATOM 1152 C PRO A 73 17.832 3.824 -17.350 1.00 0.00 C0 ATOM 1153 O PRO A 73 17.625 2.870 -16.601 1.00 0.00 O0 ATOM 1154 CB PRO A 73 18.822 3.293 -19.614 1.00 0.00 C0 ATOM 1155 CG PRO A 73 18.710 4.008 -20.918 1.00 0.00 C0 ATOM 1156 CD PRO A 73 18.122 5.347 -20.561 1.00 0.00 C0 ATOM 0 HA PRO A 73 16.751 2.995 -18.935 1.00 0.00 H new ATOM 0 HB2 PRO A 73 19.729 3.577 -19.080 1.00 0.00 H new ATOM 0 HB3 PRO A 73 18.860 2.213 -19.754 1.00 0.00 H new ATOM 0 HG2 PRO A 73 19.683 4.116 -21.397 1.00 0.00 H new ATOM 0 HG3 PRO A 73 18.070 3.466 -21.615 1.00 0.00 H new ATOM 0 HD2 PRO A 73 18.892 6.068 -20.287 1.00 0.00 H new ATOM 0 HD3 PRO A 73 17.562 5.779 -21.390 1.00 0.00 H new ATOM 1164 N ASP A 74 18.294 4.995 -16.921 1.00 0.00 N0 ATOM 1165 CA ASP A 74 18.502 5.263 -15.504 1.00 0.00 C0 ATOM 1166 C ASP A 74 17.219 5.055 -14.709 1.00 0.00 C0 ATOM 1167 O ASP A 74 17.233 4.459 -13.633 1.00 0.00 O0 ATOM 1168 CB ASP A 74 19.011 6.691 -15.297 1.00 0.00 C0 ATOM 1169 CG ASP A 74 20.433 6.893 -15.803 1.00 0.00 C0 ATOM 1170 OD1 ASP A 74 21.123 5.917 -15.980 1.00 0.00 O0 ATOM 1171 OD2 ASP A 74 20.814 8.020 -16.008 1.00 0.00 O1- ATOM 0 H ASP A 74 18.531 5.773 -17.536 1.00 0.00 H new ATOM 0 HA ASP A 74 19.251 4.559 -15.142 1.00 0.00 H new ATOM 0 HB2 ASP A 74 18.346 7.386 -15.810 1.00 0.00 H new ATOM 0 HB3 ASP A 74 18.970 6.935 -14.236 1.00 0.00 H new ATOM 1176 N LEU A 75 16.109 5.550 -15.248 1.00 0.00 N0 ATOM 1177 CA LEU A 75 14.824 5.473 -14.562 1.00 0.00 C0 ATOM 1178 C LEU A 75 14.200 4.092 -14.718 1.00 0.00 C0 ATOM 1179 O LEU A 75 13.489 3.618 -13.832 1.00 0.00 O0 ATOM 1180 CB LEU A 75 13.867 6.539 -15.107 1.00 0.00 C0 ATOM 1181 CG LEU A 75 14.277 7.995 -14.851 1.00 0.00 C0 ATOM 1182 CD1 LEU A 75 13.287 8.929 -15.534 1.00 0.00 C0 ATOM 1183 CD2 LEU A 75 14.325 8.251 -13.352 1.00 0.00 C0 ATOM 0 H LEU A 75 16.074 6.009 -16.158 1.00 0.00 H new ATOM 0 HA LEU A 75 14.999 5.654 -13.501 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.765 6.393 -16.182 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.883 6.376 -14.668 1.00 0.00 H new ATOM 0 HG LEU A 75 15.268 8.182 -15.265 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.578 9.964 -15.352 1.00 0.00 H new ATOM 0 HD12 LEU A 75 13.285 8.736 -16.607 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.288 8.757 -15.133 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.616 9.285 -13.169 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.341 8.069 -12.920 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.052 7.582 -12.892 1.00 0.00 H new ATOM 1195 N LEU A 76 14.468 3.451 -15.850 1.00 0.00 N0 ATOM 1196 CA LEU A 76 14.081 2.061 -16.054 1.00 0.00 C0 ATOM 1197 C LEU A 76 14.829 1.136 -15.101 1.00 0.00 C0 ATOM 1198 O LEU A 76 14.264 0.168 -14.591 1.00 0.00 O0 ATOM 1199 CB LEU A 76 14.355 1.640 -17.503 1.00 0.00 C0 ATOM 1200 CG LEU A 76 13.459 2.290 -18.565 1.00 0.00 C0 ATOM 1201 CD1 LEU A 76 13.986 1.952 -19.953 1.00 0.00 C0 ATOM 1202 CD2 LEU A 76 12.029 1.801 -18.390 1.00 0.00 C0 ATOM 0 H LEU A 76 14.953 3.873 -16.642 1.00 0.00 H new ATOM 0 HA LEU A 76 13.014 1.978 -15.849 1.00 0.00 H new ATOM 0 HB2 LEU A 76 15.394 1.872 -17.739 1.00 0.00 H new ATOM 0 HB3 LEU A 76 14.246 0.558 -17.575 1.00 0.00 H new ATOM 0 HG LEU A 76 13.470 3.374 -18.448 1.00 0.00 H new ATOM 0 HD11 LEU A 76 13.349 2.414 -20.707 1.00 0.00 H new ATOM 0 HD12 LEU A 76 15.003 2.329 -20.058 1.00 0.00 H new ATOM 0 HD13 LEU A 76 13.984 0.871 -20.090 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.392 2.263 -19.144 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.999 0.717 -18.503 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.671 2.072 -17.397 1.00 0.00 H new ATOM 1214 N THR A 77 16.100 1.440 -14.865 1.00 0.00 N0 ATOM 1215 CA THR A 77 16.898 0.696 -13.898 1.00 0.00 C0 ATOM 1216 C THR A 77 16.365 0.882 -12.483 1.00 0.00 C0 ATOM 1217 O THR A 77 16.306 -0.068 -11.702 1.00 0.00 O0 ATOM 1218 CB THR A 77 18.376 1.126 -13.953 1.00 0.00 C0 ATOM 1219 OG1 THR A 77 18.903 0.866 -15.261 1.00 0.00 O0 ATOM 1220 CG2 THR A 77 19.192 0.362 -12.921 1.00 0.00 C0 ATOM 0 H THR A 77 16.600 2.197 -15.331 1.00 0.00 H new ATOM 0 HA THR A 77 16.826 -0.359 -14.164 1.00 0.00 H new ATOM 0 HB THR A 77 18.438 2.192 -13.734 1.00 0.00 H new ATOM 0 HG1 THR A 77 18.599 1.562 -15.880 1.00 0.00 H new ATOM 0 HG21 THR A 77 20.234 0.678 -12.974 1.00 0.00 H new ATOM 0 HG22 THR A 77 18.801 0.566 -11.924 1.00 0.00 H new ATOM 0 HG23 THR A 77 19.127 -0.707 -13.124 1.00 0.00 H new ATOM 1228 N MET A 78 15.976 2.111 -12.159 1.00 0.00 N0 ATOM 1229 CA MET A 78 15.345 2.400 -10.877 1.00 0.00 C0 ATOM 1230 C MET A 78 14.185 1.450 -10.606 1.00 0.00 C0 ATOM 1231 O MET A 78 14.060 0.907 -9.509 1.00 0.00 O0 ATOM 1232 CB MET A 78 14.865 3.850 -10.842 1.00 0.00 C0 ATOM 1233 CG MET A 78 14.128 4.239 -9.569 1.00 0.00 C0 ATOM 1234 SD MET A 78 13.444 5.907 -9.642 1.00 0.00 S0 ATOM 1235 CE MET A 78 12.197 5.706 -10.911 1.00 0.00 C0 ATOM 0 H MET A 78 16.087 2.923 -12.767 1.00 0.00 H new ATOM 0 HA MET A 78 16.088 2.253 -10.093 1.00 0.00 H new ATOM 0 HB2 MET A 78 15.726 4.508 -10.964 1.00 0.00 H new ATOM 0 HB3 MET A 78 14.208 4.023 -11.695 1.00 0.00 H new ATOM 0 HG2 MET A 78 13.322 3.528 -9.389 1.00 0.00 H new ATOM 0 HG3 MET A 78 14.811 4.168 -8.722 1.00 0.00 H new ATOM 0 HE1 MET A 78 11.454 6.499 -10.820 1.00 0.00 H new ATOM 0 HE2 MET A 78 12.666 5.759 -11.894 1.00 0.00 H new ATOM 0 HE3 MET A 78 11.710 4.738 -10.793 1.00 0.00 H new ATOM 1245 N VAL A 79 13.340 1.255 -11.613 1.00 0.00 N0 ATOM 1246 CA VAL A 79 12.222 0.325 -11.503 1.00 0.00 C0 ATOM 1247 C VAL A 79 12.708 -1.096 -11.250 1.00 0.00 C0 ATOM 1248 O VAL A 79 12.161 -1.809 -10.410 1.00 0.00 O0 ATOM 1249 CB VAL A 79 11.375 0.355 -12.790 1.00 0.00 C0 ATOM 1250 CG1 VAL A 79 10.340 -0.760 -12.771 1.00 0.00 C0 ATOM 1251 CG2 VAL A 79 10.705 1.712 -12.938 1.00 0.00 C0 ATOM 0 H VAL A 79 13.408 1.728 -12.514 1.00 0.00 H new ATOM 0 HA VAL A 79 11.612 0.639 -10.656 1.00 0.00 H new ATOM 0 HB VAL A 79 12.028 0.195 -13.648 1.00 0.00 H new ATOM 0 HG11 VAL A 79 9.750 -0.725 -13.687 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.845 -1.724 -12.701 1.00 0.00 H new ATOM 0 HG13 VAL A 79 9.683 -0.632 -11.911 1.00 0.00 H new ATOM 0 HG21 VAL A 79 10.108 1.726 -13.850 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.059 1.895 -12.079 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.467 2.490 -12.991 1.00 0.00 H new ATOM 1261 N VAL A 80 13.740 -1.501 -11.984 1.00 0.00 N0 ATOM 1262 CA VAL A 80 14.333 -2.821 -11.806 1.00 0.00 C0 ATOM 1263 C VAL A 80 14.894 -2.989 -10.399 1.00 0.00 C0 ATOM 1264 O VAL A 80 14.755 -4.047 -9.787 1.00 0.00 O0 ATOM 1265 CB VAL A 80 15.459 -3.044 -12.834 1.00 0.00 C0 ATOM 1266 CG1 VAL A 80 16.232 -4.313 -12.511 1.00 0.00 C0 ATOM 1267 CG2 VAL A 80 14.874 -3.109 -14.237 1.00 0.00 C0 ATOM 0 H VAL A 80 14.182 -0.934 -12.707 1.00 0.00 H new ATOM 0 HA VAL A 80 13.546 -3.560 -11.958 1.00 0.00 H new ATOM 0 HB VAL A 80 16.154 -2.205 -12.785 1.00 0.00 H new ATOM 0 HG11 VAL A 80 17.023 -4.454 -13.247 1.00 0.00 H new ATOM 0 HG12 VAL A 80 16.672 -4.228 -11.517 1.00 0.00 H new ATOM 0 HG13 VAL A 80 15.556 -5.167 -12.536 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.676 -3.267 -14.959 1.00 0.00 H new ATOM 0 HG22 VAL A 80 14.164 -3.934 -14.297 1.00 0.00 H new ATOM 0 HG23 VAL A 80 14.363 -2.173 -14.462 1.00 0.00 H new ATOM 1277 N ASP A 81 15.528 -1.937 -9.891 1.00 0.00 N0 ATOM 1278 CA ASP A 81 16.054 -1.942 -8.532 1.00 0.00 C0 ATOM 1279 C ASP A 81 14.940 -2.142 -7.512 1.00 0.00 C0 ATOM 1280 O ASP A 81 15.109 -2.862 -6.527 1.00 0.00 O0 ATOM 1281 CB ASP A 81 16.796 -0.637 -8.238 1.00 0.00 C0 ATOM 1282 CG ASP A 81 18.132 -0.539 -8.964 1.00 0.00 C0 ATOM 1283 OD1 ASP A 81 18.619 -1.550 -9.410 1.00 0.00 O0 ATOM 1284 OD2 ASP A 81 18.651 0.547 -9.064 1.00 0.00 O1- ATOM 0 H ASP A 81 15.690 -1.069 -10.402 1.00 0.00 H new ATOM 0 HA ASP A 81 16.752 -2.776 -8.450 1.00 0.00 H new ATOM 0 HB2 ASP A 81 16.168 0.205 -8.528 1.00 0.00 H new ATOM 0 HB3 ASP A 81 16.965 -0.555 -7.164 1.00 0.00 H new ATOM 1289 N TYR A 82 13.803 -1.499 -7.752 1.00 0.00 N0 ATOM 1290 CA TYR A 82 12.621 -1.698 -6.922 1.00 0.00 C0 ATOM 1291 C TYR A 82 12.152 -3.147 -6.970 1.00 0.00 C0 ATOM 1292 O TYR A 82 11.853 -3.746 -5.937 1.00 0.00 O0 ATOM 1293 CB TYR A 82 11.494 -0.761 -7.363 1.00 0.00 C0 ATOM 1294 CG TYR A 82 10.225 -0.907 -6.551 1.00 0.00 C0 ATOM 1295 CD1 TYR A 82 10.122 -0.292 -5.311 1.00 0.00 C0 ATOM 1296 CD2 TYR A 82 9.167 -1.655 -7.045 1.00 0.00 C0 ATOM 1297 CE1 TYR A 82 8.964 -0.426 -4.569 1.00 0.00 C0 ATOM 1298 CE2 TYR A 82 8.010 -1.788 -6.304 1.00 0.00 C0 ATOM 1299 CZ TYR A 82 7.907 -1.177 -5.070 1.00 0.00 C0 ATOM 1300 OH TYR A 82 6.753 -1.309 -4.331 1.00 0.00 O0 ATOM 0 H TYR A 82 13.675 -0.835 -8.515 1.00 0.00 H new ATOM 0 HA TYR A 82 12.891 -1.464 -5.892 1.00 0.00 H new ATOM 0 HB2 TYR A 82 11.843 0.269 -7.293 1.00 0.00 H new ATOM 0 HB3 TYR A 82 11.267 -0.950 -8.412 1.00 0.00 H new ATOM 0 HD1 TYR A 82 10.946 0.291 -4.926 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.248 -2.134 -8.010 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.881 0.051 -3.604 1.00 0.00 H new ATOM 0 HE2 TYR A 82 7.186 -2.370 -6.689 1.00 0.00 H new ATOM 0 HH TYR A 82 6.112 -1.864 -4.822 1.00 0.00 H new ATOM 1310 N ARG A 83 12.089 -3.704 -8.173 1.00 0.00 N0 ATOM 1311 CA ARG A 83 11.709 -5.101 -8.353 1.00 0.00 C0 ATOM 1312 C ARG A 83 12.585 -6.022 -7.513 1.00 0.00 C0 ATOM 1313 O ARG A 83 12.090 -6.946 -6.867 1.00 0.00 O0 ATOM 1314 CB ARG A 83 11.815 -5.500 -9.817 1.00 0.00 C0 ATOM 1315 CG ARG A 83 10.769 -4.878 -10.728 1.00 0.00 C0 ATOM 1316 CD ARG A 83 10.947 -5.304 -12.140 1.00 0.00 C0 ATOM 1317 NE ARG A 83 10.012 -4.635 -13.029 1.00 0.00 N0 ATOM 1318 CZ ARG A 83 8.746 -5.041 -13.254 1.00 0.00 C0 ATOM 1319 NH1 ARG A 83 8.282 -6.112 -12.649 1.00 0.00 N1+ ATOM 1320 NH2 ARG A 83 7.972 -4.362 -14.083 1.00 0.00 N0 ATOM 0 H ARG A 83 12.296 -3.209 -9.041 1.00 0.00 H new ATOM 0 HA ARG A 83 10.675 -5.205 -8.024 1.00 0.00 H new ATOM 0 HB2 ARG A 83 12.804 -5.224 -10.183 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.739 -6.585 -9.889 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.774 -5.161 -10.385 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.831 -3.792 -10.665 1.00 0.00 H new ATOM 0 HD2 ARG A 83 11.967 -5.090 -12.458 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.810 -6.383 -12.214 1.00 0.00 H new ATOM 0 HE ARG A 83 10.336 -3.800 -13.517 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.880 -6.636 -12.009 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.324 -6.419 -12.819 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.332 -3.531 -14.552 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.014 -4.669 -14.253 1.00 0.00 H new ATOM 1334 N THR A 84 13.888 -5.764 -7.526 1.00 0.00 N0 ATOM 1335 CA THR A 84 14.832 -6.548 -6.736 1.00 0.00 C0 ATOM 1336 C THR A 84 14.570 -6.383 -5.244 1.00 0.00 C0 ATOM 1337 O THR A 84 14.591 -7.355 -4.490 1.00 0.00 O0 ATOM 1338 CB THR A 84 16.284 -6.149 -7.054 1.00 0.00 C0 ATOM 1339 OG1 THR A 84 16.562 -6.407 -8.437 1.00 0.00 O0 ATOM 1340 CG2 THR A 84 17.255 -6.941 -6.191 1.00 0.00 C0 ATOM 0 H THR A 84 14.315 -5.018 -8.075 1.00 0.00 H new ATOM 0 HA THR A 84 14.688 -7.595 -7.003 1.00 0.00 H new ATOM 0 HB THR A 84 16.407 -5.087 -6.843 1.00 0.00 H new ATOM 0 HG1 THR A 84 16.077 -5.763 -8.994 1.00 0.00 H new ATOM 0 HG21 THR A 84 18.277 -6.646 -6.429 1.00 0.00 H new ATOM 0 HG22 THR A 84 17.055 -6.739 -5.139 1.00 0.00 H new ATOM 0 HG23 THR A 84 17.130 -8.006 -6.386 1.00 0.00 H new ATOM 1348 N ARG A 85 14.325 -5.146 -4.825 1.00 0.00 N0 ATOM 1349 CA ARG A 85 13.993 -4.860 -3.434 1.00 0.00 C0 ATOM 1350 C ARG A 85 12.785 -5.668 -2.979 1.00 0.00 C0 ATOM 1351 O ARG A 85 12.787 -6.249 -1.894 1.00 0.00 O0 ATOM 1352 CB ARG A 85 13.709 -3.377 -3.246 1.00 0.00 C0 ATOM 1353 CG ARG A 85 13.349 -2.971 -1.825 1.00 0.00 C0 ATOM 1354 CD ARG A 85 13.132 -1.506 -1.711 1.00 0.00 C0 ATOM 1355 NE ARG A 85 12.644 -1.131 -0.393 1.00 0.00 N0 ATOM 1356 CZ ARG A 85 13.431 -0.883 0.672 1.00 0.00 C0 ATOM 1357 NH1 ARG A 85 14.737 -0.974 0.559 1.00 0.00 N1+ ATOM 1358 NH2 ARG A 85 12.888 -0.547 1.830 1.00 0.00 N0 ATOM 0 H ARG A 85 14.350 -4.325 -5.429 1.00 0.00 H new ATOM 0 HA ARG A 85 14.853 -5.143 -2.827 1.00 0.00 H new ATOM 0 HB2 ARG A 85 14.586 -2.811 -3.559 1.00 0.00 H new ATOM 0 HB3 ARG A 85 12.892 -3.091 -3.908 1.00 0.00 H new ATOM 0 HG2 ARG A 85 12.447 -3.498 -1.513 1.00 0.00 H new ATOM 0 HG3 ARG A 85 14.146 -3.275 -1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 85 14.067 -0.984 -1.914 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.416 -1.185 -2.468 1.00 0.00 H new ATOM 0 HE ARG A 85 11.635 -1.050 -0.266 1.00 0.00 H new ATOM 0 HH11 ARG A 85 15.155 -1.232 -0.335 1.00 0.00 H new ATOM 0 HH12 ARG A 85 15.333 -0.786 1.365 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.874 -0.476 1.916 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.483 -0.359 2.637 1.00 0.00 H new ATOM 1372 N VAL A 86 11.753 -5.701 -3.815 1.00 0.00 N0 ATOM 1373 CA VAL A 86 10.548 -6.468 -3.517 1.00 0.00 C0 ATOM 1374 C VAL A 86 10.864 -7.949 -3.360 1.00 0.00 C0 ATOM 1375 O VAL A 86 10.344 -8.613 -2.464 1.00 0.00 O0 ATOM 1376 CB VAL A 86 9.507 -6.282 -4.636 1.00 0.00 C0 ATOM 1377 CG1 VAL A 86 8.354 -7.259 -4.456 1.00 0.00 C0 ATOM 1378 CG2 VAL A 86 9.002 -4.848 -4.640 1.00 0.00 C0 ATOM 0 H VAL A 86 11.726 -5.205 -4.706 1.00 0.00 H new ATOM 0 HA VAL A 86 10.142 -6.097 -2.576 1.00 0.00 H new ATOM 0 HB VAL A 86 9.979 -6.488 -5.597 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.627 -7.115 -5.255 1.00 0.00 H new ATOM 0 HG12 VAL A 86 8.734 -8.280 -4.491 1.00 0.00 H new ATOM 0 HG13 VAL A 86 7.875 -7.083 -3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 86 8.266 -4.724 -5.434 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.540 -4.622 -3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.837 -4.169 -4.810 1.00 0.00 H new ATOM 1388 N LEU A 87 11.718 -8.464 -4.239 1.00 0.00 N0 ATOM 1389 CA LEU A 87 12.140 -9.858 -4.172 1.00 0.00 C0 ATOM 1390 C LEU A 87 12.887 -10.146 -2.877 1.00 0.00 C0 ATOM 1391 O LEU A 87 12.764 -11.230 -2.305 1.00 0.00 O0 ATOM 1392 CB LEU A 87 13.032 -10.200 -5.371 1.00 0.00 C0 ATOM 1393 CG LEU A 87 12.330 -10.235 -6.735 1.00 0.00 C0 ATOM 1394 CD1 LEU A 87 13.368 -10.399 -7.837 1.00 0.00 C0 ATOM 1395 CD2 LEU A 87 11.323 -11.375 -6.758 1.00 0.00 C0 ATOM 0 H LEU A 87 12.132 -7.936 -5.007 1.00 0.00 H new ATOM 0 HA LEU A 87 11.245 -10.480 -4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 87 13.841 -9.471 -5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.490 -11.173 -5.194 1.00 0.00 H new ATOM 0 HG LEU A 87 11.795 -9.300 -6.903 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.869 -10.424 -8.806 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.064 -9.561 -7.809 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.915 -11.330 -7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.824 -11.400 -7.727 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.840 -12.320 -6.591 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.583 -11.223 -5.973 1.00 0.00 H new