USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 705 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 45 LYS NZ :NH3+ -127:sc= 1.2 (180deg=0.0189) USER MOD Set 1.2: B 73 LYS NZ :NH3+ -160:sc= 1.22 (180deg=0.121) USER MOD Set 2.1: B 66 GLN : amide:sc= -0.691 K(o=0.31,f=-0.48) USER MOD Set 2.2: B 70 ASN : amide:sc= 0.998 K(o=0.31,f=-0.48) USER MOD Single : A 35 LYS NZ :NH3+ -153:sc= 1.22 (180deg=-0.108) USER MOD Single : A 38 ASN : amide:sc= -0.125 X(o=-0.12,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.331 K(o=-0.33,f=-2.9!) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 47 THR OG1 : rot 72:sc= 0.67 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -36:sc= -0.744! USER MOD Single : A 56 LYS NZ :NH3+ -149:sc= -0.504 (180deg=-1.94!) USER MOD Single : A 58 THR OG1 : rot -133:sc= 1.24 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0519 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.162 USER MOD Single : A 65 ASN : amide:sc= -0.746 K(o=-0.75,f=-1.9) USER MOD Single : A 66 GLN : amide:sc= 0.879 K(o=0.88,f=-3.3!) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 73 LYS NZ :NH3+ -132:sc= 1.03 (180deg=-0.554) USER MOD Single : B 33 LYS NZ :NH3+ 137:sc= 1.13 (180deg=-1.92!) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : B 40 ASN : amide:sc= -0.0495 X(o=-0.05,f=-0.067) USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 1.28 (180deg=1.28) USER MOD Single : B 46 HIS : no HD1:sc= -0.0796 X(o=-0.08,f=-0.45) USER MOD Single : B 47 THR OG1 : rot 180:sc= 0.0368 USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 CYS SG : rot 54:sc= -2.64! USER MOD Single : B 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 58 THR OG1 : rot -150:sc= -0.575 USER MOD Single : B 59 SER OG : rot 180:sc= 0.187 USER MOD Single : B 61 THR OG1 : rot 180:sc= 0.018 USER MOD Single : B 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 75 ASN : amide:sc= 0.692 K(o=0.69,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 518 N ILE A 34 0.510 12.499 -4.012 1.00 0.64 N ATOM 519 CA ILE A 34 0.612 11.072 -3.768 1.00 0.59 C ATOM 520 C ILE A 34 0.825 10.338 -5.085 1.00 0.52 C ATOM 521 O ILE A 34 0.104 10.561 -6.060 1.00 0.59 O ATOM 522 CB ILE A 34 -0.648 10.512 -3.076 1.00 0.65 C ATOM 523 CG1 ILE A 34 -1.277 11.567 -2.160 1.00 1.10 C ATOM 524 CG2 ILE A 34 -0.306 9.249 -2.294 1.00 1.06 C ATOM 525 CD1 ILE A 34 -2.667 11.202 -1.684 1.00 1.67 C ATOM 0 HA ILE A 34 1.462 10.915 -3.103 1.00 0.59 H new ATOM 0 HB ILE A 34 -1.378 10.254 -3.843 1.00 0.65 H new ATOM 0 HG12 ILE A 34 -0.632 11.715 -1.294 1.00 1.10 H new ATOM 0 HG13 ILE A 34 -1.321 12.518 -2.691 1.00 1.10 H new ATOM 0 HG21 ILE A 34 -1.205 8.865 -1.811 1.00 1.06 H new ATOM 0 HG22 ILE A 34 0.090 8.496 -2.975 1.00 1.06 H new ATOM 0 HG23 ILE A 34 0.442 9.482 -1.536 1.00 1.06 H new ATOM 0 HD11 ILE A 34 -3.051 11.994 -1.040 1.00 1.67 H new ATOM 0 HD12 ILE A 34 -3.326 11.082 -2.544 1.00 1.67 H new ATOM 0 HD13 ILE A 34 -2.626 10.267 -1.125 1.00 1.67 H new ATOM 537 N LYS A 35 1.864 9.529 -5.121 1.00 0.50 N ATOM 538 CA LYS A 35 2.244 8.802 -6.315 1.00 0.49 C ATOM 539 C LYS A 35 2.051 7.308 -6.099 1.00 0.44 C ATOM 540 O LYS A 35 1.869 6.863 -4.968 1.00 0.47 O ATOM 541 CB LYS A 35 3.698 9.119 -6.654 1.00 0.59 C ATOM 542 CG LYS A 35 3.939 10.592 -6.951 1.00 0.92 C ATOM 543 CD LYS A 35 3.650 10.934 -8.406 1.00 1.10 C ATOM 544 CE LYS A 35 2.261 11.526 -8.575 1.00 1.08 C ATOM 545 NZ LYS A 35 2.295 13.011 -8.628 1.00 1.27 N ATOM 0 H LYS A 35 2.471 9.357 -4.320 1.00 0.50 H new ATOM 0 HA LYS A 35 1.612 9.107 -7.149 1.00 0.49 H new ATOM 0 HB2 LYS A 35 4.333 8.815 -5.822 1.00 0.59 H new ATOM 0 HB3 LYS A 35 4.000 8.527 -7.518 1.00 0.59 H new ATOM 0 HG2 LYS A 35 3.308 11.201 -6.303 1.00 0.92 H new ATOM 0 HG3 LYS A 35 4.973 10.845 -6.718 1.00 0.92 H new ATOM 0 HD2 LYS A 35 4.395 11.642 -8.769 1.00 1.10 H new ATOM 0 HD3 LYS A 35 3.740 10.036 -9.017 1.00 1.10 H new ATOM 0 HE2 LYS A 35 1.811 11.140 -9.490 1.00 1.08 H new ATOM 0 HE3 LYS A 35 1.627 11.207 -7.748 1.00 1.08 H new ATOM 0 HZ1 LYS A 35 1.388 13.391 -8.290 1.00 1.27 H new ATOM 0 HZ2 LYS A 35 3.065 13.362 -8.023 1.00 1.27 H new ATOM 0 HZ3 LYS A 35 2.456 13.320 -9.608 1.00 1.27 H new ATOM 559 N ARG A 36 2.036 6.542 -7.179 1.00 0.52 N ATOM 560 CA ARG A 36 1.775 5.111 -7.087 1.00 0.53 C ATOM 561 C ARG A 36 2.875 4.298 -7.753 1.00 0.56 C ATOM 562 O ARG A 36 3.304 4.606 -8.869 1.00 0.76 O ATOM 563 CB ARG A 36 0.426 4.776 -7.730 1.00 0.64 C ATOM 564 CG ARG A 36 -0.569 4.133 -6.779 1.00 1.17 C ATOM 565 CD ARG A 36 -0.834 5.002 -5.558 1.00 1.51 C ATOM 566 NE ARG A 36 -1.510 6.252 -5.894 1.00 2.02 N ATOM 567 CZ ARG A 36 -2.421 6.829 -5.113 1.00 2.75 C ATOM 568 NH1 ARG A 36 -2.826 6.227 -4.002 1.00 2.99 N ATOM 569 NH2 ARG A 36 -2.942 8.001 -5.450 1.00 3.65 N ATOM 0 H ARG A 36 2.200 6.884 -8.126 1.00 0.52 H new ATOM 0 HA ARG A 36 1.751 4.848 -6.029 1.00 0.53 H new ATOM 0 HB2 ARG A 36 -0.010 5.690 -8.132 1.00 0.64 H new ATOM 0 HB3 ARG A 36 0.593 4.105 -8.573 1.00 0.64 H new ATOM 0 HG2 ARG A 36 -1.506 3.950 -7.304 1.00 1.17 H new ATOM 0 HG3 ARG A 36 -0.189 3.163 -6.458 1.00 1.17 H new ATOM 0 HD2 ARG A 36 -1.442 4.445 -4.845 1.00 1.51 H new ATOM 0 HD3 ARG A 36 0.111 5.226 -5.064 1.00 1.51 H new ATOM 0 HE ARG A 36 -1.271 6.708 -6.775 1.00 2.02 H new ATOM 0 HH11 ARG A 36 -2.439 5.319 -3.744 1.00 2.99 H new ATOM 0 HH12 ARG A 36 -3.524 6.672 -3.406 1.00 2.99 H new ATOM 0 HH21 ARG A 36 -2.645 8.463 -6.310 1.00 3.65 H new ATOM 0 HH22 ARG A 36 -3.640 8.441 -4.850 1.00 3.65 H new ATOM 583 N VAL A 37 3.284 3.227 -7.086 1.00 0.49 N ATOM 584 CA VAL A 37 4.287 2.313 -7.619 1.00 0.56 C ATOM 585 C VAL A 37 3.873 0.867 -7.344 1.00 0.53 C ATOM 586 O VAL A 37 3.560 0.507 -6.206 1.00 0.55 O ATOM 587 CB VAL A 37 5.684 2.576 -7.001 1.00 0.69 C ATOM 588 CG1 VAL A 37 6.688 1.527 -7.457 1.00 1.04 C ATOM 589 CG2 VAL A 37 6.182 3.971 -7.353 1.00 1.26 C ATOM 0 H VAL A 37 2.932 2.968 -6.164 1.00 0.49 H new ATOM 0 HA VAL A 37 4.352 2.483 -8.694 1.00 0.56 H new ATOM 0 HB VAL A 37 5.584 2.509 -5.918 1.00 0.69 H new ATOM 0 HG11 VAL A 37 7.660 1.735 -7.009 1.00 1.04 H new ATOM 0 HG12 VAL A 37 6.349 0.539 -7.146 1.00 1.04 H new ATOM 0 HG13 VAL A 37 6.776 1.555 -8.543 1.00 1.04 H new ATOM 0 HG21 VAL A 37 7.164 4.130 -6.907 1.00 1.26 H new ATOM 0 HG22 VAL A 37 6.255 4.069 -8.436 1.00 1.26 H new ATOM 0 HG23 VAL A 37 5.484 4.714 -6.968 1.00 1.26 H new ATOM 599 N ASN A 38 3.885 0.041 -8.381 1.00 0.55 N ATOM 600 CA ASN A 38 3.562 -1.371 -8.240 1.00 0.56 C ATOM 601 C ASN A 38 4.844 -2.182 -8.284 1.00 0.49 C ATOM 602 O ASN A 38 5.597 -2.110 -9.257 1.00 0.57 O ATOM 603 CB ASN A 38 2.613 -1.823 -9.351 1.00 0.74 C ATOM 604 CG ASN A 38 2.261 -3.297 -9.255 1.00 0.81 C ATOM 605 OD1 ASN A 38 2.779 -4.120 -10.007 1.00 1.53 O ATOM 606 ND2 ASN A 38 1.366 -3.638 -8.338 1.00 1.00 N ATOM 0 H ASN A 38 4.116 0.326 -9.333 1.00 0.55 H new ATOM 0 HA ASN A 38 3.062 -1.528 -7.284 1.00 0.56 H new ATOM 0 HB2 ASN A 38 1.699 -1.231 -9.306 1.00 0.74 H new ATOM 0 HB3 ASN A 38 3.073 -1.625 -10.319 1.00 0.74 H new ATOM 0 HD21 ASN A 38 1.085 -4.613 -8.238 1.00 1.00 H new ATOM 0 HD22 ASN A 38 0.959 -2.925 -7.733 1.00 1.00 H new ATOM 613 N VAL A 39 5.173 -2.797 -7.162 1.00 0.41 N ATOM 614 CA VAL A 39 6.456 -3.451 -7.005 1.00 0.44 C ATOM 615 C VAL A 39 6.339 -4.965 -7.091 1.00 0.42 C ATOM 616 O VAL A 39 5.324 -5.549 -6.707 1.00 0.48 O ATOM 617 CB VAL A 39 7.111 -3.087 -5.660 1.00 0.61 C ATOM 618 CG1 VAL A 39 8.624 -3.168 -5.773 1.00 1.24 C ATOM 619 CG2 VAL A 39 6.676 -1.703 -5.200 1.00 0.63 C ATOM 0 H VAL A 39 4.566 -2.856 -6.345 1.00 0.41 H new ATOM 0 HA VAL A 39 7.078 -3.095 -7.826 1.00 0.44 H new ATOM 0 HB VAL A 39 6.781 -3.806 -4.911 1.00 0.61 H new ATOM 0 HG11 VAL A 39 9.075 -2.908 -4.815 1.00 1.24 H new ATOM 0 HG12 VAL A 39 8.915 -4.182 -6.048 1.00 1.24 H new ATOM 0 HG13 VAL A 39 8.970 -2.472 -6.537 1.00 1.24 H new ATOM 0 HG21 VAL A 39 7.152 -1.470 -4.248 1.00 0.63 H new ATOM 0 HG22 VAL A 39 6.971 -0.963 -5.944 1.00 0.63 H new ATOM 0 HG23 VAL A 39 5.593 -1.684 -5.078 1.00 0.63 H new ATOM 629 N ASN A 40 7.444 -5.583 -7.478 1.00 0.46 N ATOM 630 CA ASN A 40 7.569 -7.030 -7.508 1.00 0.51 C ATOM 631 C ASN A 40 8.410 -7.476 -6.316 1.00 0.44 C ATOM 632 O ASN A 40 9.589 -7.128 -6.215 1.00 0.56 O ATOM 633 CB ASN A 40 8.237 -7.469 -8.813 1.00 0.67 C ATOM 634 CG ASN A 40 7.468 -8.552 -9.540 1.00 1.45 C ATOM 635 OD1 ASN A 40 6.347 -8.900 -9.167 1.00 2.02 O ATOM 636 ND2 ASN A 40 8.061 -9.083 -10.599 1.00 2.13 N ATOM 0 H ASN A 40 8.284 -5.091 -7.782 1.00 0.46 H new ATOM 0 HA ASN A 40 6.581 -7.487 -7.452 1.00 0.51 H new ATOM 0 HB2 ASN A 40 8.343 -6.605 -9.469 1.00 0.67 H new ATOM 0 HB3 ASN A 40 9.243 -7.829 -8.596 1.00 0.67 H new ATOM 0 HD21 ASN A 40 7.588 -9.808 -11.138 1.00 2.13 H new ATOM 0 HD22 ASN A 40 8.991 -8.767 -10.875 1.00 2.13 H new ATOM 643 N PHE A 41 7.776 -8.130 -5.360 1.00 0.40 N ATOM 644 CA PHE A 41 8.439 -8.489 -4.115 1.00 0.45 C ATOM 645 C PHE A 41 8.794 -9.965 -4.094 1.00 0.45 C ATOM 646 O PHE A 41 8.103 -10.787 -4.691 1.00 0.56 O ATOM 647 CB PHE A 41 7.529 -8.179 -2.924 1.00 0.62 C ATOM 648 CG PHE A 41 7.695 -6.797 -2.367 1.00 0.54 C ATOM 649 CD1 PHE A 41 7.407 -5.683 -3.138 1.00 1.14 C ATOM 650 CD2 PHE A 41 8.137 -6.611 -1.068 1.00 0.98 C ATOM 651 CE1 PHE A 41 7.547 -4.412 -2.620 1.00 1.16 C ATOM 652 CE2 PHE A 41 8.277 -5.339 -0.545 1.00 1.10 C ATOM 653 CZ PHE A 41 7.986 -4.237 -1.325 1.00 0.75 C ATOM 0 H PHE A 41 6.801 -8.425 -5.420 1.00 0.40 H new ATOM 0 HA PHE A 41 9.355 -7.902 -4.044 1.00 0.45 H new ATOM 0 HB2 PHE A 41 6.491 -8.313 -3.229 1.00 0.62 H new ATOM 0 HB3 PHE A 41 7.725 -8.903 -2.133 1.00 0.62 H new ATOM 0 HD1 PHE A 41 7.069 -5.811 -4.156 1.00 1.14 H new ATOM 0 HD2 PHE A 41 8.375 -7.469 -0.457 1.00 0.98 H new ATOM 0 HE1 PHE A 41 7.312 -3.552 -3.230 1.00 1.16 H new ATOM 0 HE2 PHE A 41 8.614 -5.207 0.473 1.00 1.10 H new ATOM 0 HZ PHE A 41 8.102 -3.242 -0.922 1.00 0.75 H new ATOM 663 N ASP A 42 9.801 -10.308 -3.308 1.00 0.45 N ATOM 664 CA ASP A 42 10.161 -11.704 -3.103 1.00 0.47 C ATOM 665 C ASP A 42 9.331 -12.283 -1.971 1.00 0.40 C ATOM 666 O ASP A 42 8.904 -11.552 -1.072 1.00 0.35 O ATOM 667 CB ASP A 42 11.649 -11.840 -2.765 1.00 0.62 C ATOM 668 CG ASP A 42 12.234 -13.161 -3.224 1.00 0.70 C ATOM 669 OD1 ASP A 42 12.103 -14.166 -2.491 1.00 1.38 O ATOM 670 OD2 ASP A 42 12.821 -13.204 -4.325 1.00 1.35 O ATOM 0 H ASP A 42 10.384 -9.641 -2.802 1.00 0.45 H new ATOM 0 HA ASP A 42 9.963 -12.250 -4.025 1.00 0.47 H new ATOM 0 HB2 ASP A 42 12.199 -11.022 -3.230 1.00 0.62 H new ATOM 0 HB3 ASP A 42 11.783 -11.742 -1.688 1.00 0.62 H new ATOM 675 N GLU A 43 9.141 -13.593 -1.987 1.00 0.46 N ATOM 676 CA GLU A 43 8.411 -14.276 -0.925 1.00 0.48 C ATOM 677 C GLU A 43 9.137 -14.095 0.398 1.00 0.40 C ATOM 678 O GLU A 43 8.525 -13.754 1.410 1.00 0.42 O ATOM 679 CB GLU A 43 8.266 -15.763 -1.244 1.00 0.65 C ATOM 680 CG GLU A 43 6.963 -16.364 -0.752 1.00 1.08 C ATOM 681 CD GLU A 43 7.157 -17.250 0.460 1.00 1.04 C ATOM 682 OE1 GLU A 43 8.296 -17.703 0.699 1.00 1.45 O ATOM 683 OE2 GLU A 43 6.169 -17.496 1.180 1.00 1.28 O ATOM 0 H GLU A 43 9.483 -14.208 -2.725 1.00 0.46 H new ATOM 0 HA GLU A 43 7.415 -13.841 -0.850 1.00 0.48 H new ATOM 0 HB2 GLU A 43 8.337 -15.904 -2.323 1.00 0.65 H new ATOM 0 HB3 GLU A 43 9.099 -16.305 -0.796 1.00 0.65 H new ATOM 0 HG2 GLU A 43 6.267 -15.562 -0.505 1.00 1.08 H new ATOM 0 HG3 GLU A 43 6.508 -16.945 -1.554 1.00 1.08 H new ATOM 690 N GLU A 44 10.459 -14.202 0.339 1.00 0.38 N ATOM 691 CA GLU A 44 11.312 -13.964 1.493 1.00 0.42 C ATOM 692 C GLU A 44 11.081 -12.573 2.056 1.00 0.37 C ATOM 693 O GLU A 44 10.950 -12.387 3.271 1.00 0.43 O ATOM 694 CB GLU A 44 12.774 -14.100 1.082 1.00 0.52 C ATOM 695 CG GLU A 44 13.630 -14.797 2.118 1.00 0.60 C ATOM 696 CD GLU A 44 14.891 -14.030 2.437 1.00 1.56 C ATOM 697 OE1 GLU A 44 14.797 -12.940 3.039 1.00 2.19 O ATOM 698 OE2 GLU A 44 15.986 -14.508 2.068 1.00 2.34 O ATOM 0 H GLU A 44 10.967 -14.456 -0.508 1.00 0.38 H new ATOM 0 HA GLU A 44 11.068 -14.699 2.260 1.00 0.42 H new ATOM 0 HB2 GLU A 44 12.830 -14.653 0.144 1.00 0.52 H new ATOM 0 HB3 GLU A 44 13.184 -13.108 0.892 1.00 0.52 H new ATOM 0 HG2 GLU A 44 13.051 -14.933 3.031 1.00 0.60 H new ATOM 0 HG3 GLU A 44 13.895 -15.791 1.757 1.00 0.60 H new ATOM 705 N LYS A 45 11.054 -11.598 1.161 1.00 0.32 N ATOM 706 CA LYS A 45 10.887 -10.210 1.543 1.00 0.35 C ATOM 707 C LYS A 45 9.515 -9.970 2.153 1.00 0.30 C ATOM 708 O LYS A 45 9.370 -9.163 3.060 1.00 0.35 O ATOM 709 CB LYS A 45 11.082 -9.296 0.333 1.00 0.39 C ATOM 710 CG LYS A 45 12.466 -9.403 -0.289 1.00 0.56 C ATOM 711 CD LYS A 45 13.131 -8.045 -0.426 1.00 0.68 C ATOM 712 CE LYS A 45 14.563 -8.070 0.080 1.00 1.04 C ATOM 713 NZ LYS A 45 15.433 -8.937 -0.754 1.00 1.09 N ATOM 0 H LYS A 45 11.147 -11.748 0.156 1.00 0.32 H new ATOM 0 HA LYS A 45 11.643 -9.978 2.293 1.00 0.35 H new ATOM 0 HB2 LYS A 45 10.333 -9.539 -0.421 1.00 0.39 H new ATOM 0 HB3 LYS A 45 10.907 -8.263 0.635 1.00 0.39 H new ATOM 0 HG2 LYS A 45 13.090 -10.053 0.324 1.00 0.56 H new ATOM 0 HG3 LYS A 45 12.388 -9.870 -1.271 1.00 0.56 H new ATOM 0 HD2 LYS A 45 13.119 -7.737 -1.472 1.00 0.68 H new ATOM 0 HD3 LYS A 45 12.561 -7.302 0.131 1.00 0.68 H new ATOM 0 HE2 LYS A 45 14.962 -7.056 0.088 1.00 1.04 H new ATOM 0 HE3 LYS A 45 14.577 -8.426 1.110 1.00 1.04 H new ATOM 0 HZ1 LYS A 45 15.924 -9.623 -0.146 1.00 1.09 H new ATOM 0 HZ2 LYS A 45 14.851 -9.446 -1.450 1.00 1.09 H new ATOM 0 HZ3 LYS A 45 16.134 -8.351 -1.251 1.00 1.09 H new ATOM 727 N HIS A 46 8.502 -10.648 1.634 1.00 0.28 N ATOM 728 CA HIS A 46 7.143 -10.433 2.108 1.00 0.31 C ATOM 729 C HIS A 46 6.904 -11.095 3.462 1.00 0.32 C ATOM 730 O HIS A 46 6.201 -10.540 4.307 1.00 0.34 O ATOM 731 CB HIS A 46 6.108 -10.913 1.097 1.00 0.38 C ATOM 732 CG HIS A 46 4.861 -10.087 1.135 1.00 0.43 C ATOM 733 ND1 HIS A 46 3.704 -10.499 1.752 1.00 0.58 N ATOM 734 CD2 HIS A 46 4.619 -8.835 0.681 1.00 0.47 C ATOM 735 CE1 HIS A 46 2.804 -9.535 1.679 1.00 0.64 C ATOM 736 NE2 HIS A 46 3.336 -8.514 1.034 1.00 0.58 N ATOM 0 H HIS A 46 8.593 -11.344 0.893 1.00 0.28 H new ATOM 0 HA HIS A 46 7.025 -9.356 2.230 1.00 0.31 H new ATOM 0 HB2 HIS A 46 6.536 -10.877 0.095 1.00 0.38 H new ATOM 0 HB3 HIS A 46 5.859 -11.955 1.300 1.00 0.38 H new ATOM 0 HD2 HIS A 46 5.310 -8.206 0.140 1.00 0.47 H new ATOM 0 HE1 HIS A 46 1.802 -9.576 2.080 1.00 0.64 H new ATOM 0 HE2 HIS A 46 2.868 -7.631 0.832 1.00 0.58 H new ATOM 745 N THR A 47 7.511 -12.253 3.681 1.00 0.33 N ATOM 746 CA THR A 47 7.379 -12.943 4.959 1.00 0.40 C ATOM 747 C THR A 47 8.052 -12.142 6.074 1.00 0.39 C ATOM 748 O THR A 47 7.487 -11.965 7.156 1.00 0.43 O ATOM 749 CB THR A 47 7.979 -14.360 4.890 1.00 0.47 C ATOM 750 OG1 THR A 47 7.416 -15.060 3.776 1.00 0.72 O ATOM 751 CG2 THR A 47 7.713 -15.141 6.173 1.00 0.60 C ATOM 0 H THR A 47 8.096 -12.733 2.997 1.00 0.33 H new ATOM 0 HA THR A 47 6.316 -13.032 5.181 1.00 0.40 H new ATOM 0 HB THR A 47 9.058 -14.268 4.769 1.00 0.47 H new ATOM 0 HG1 THR A 47 7.773 -14.689 2.942 1.00 0.72 H new ATOM 0 HG21 THR A 47 8.150 -16.136 6.090 1.00 0.60 H new ATOM 0 HG22 THR A 47 8.161 -14.617 7.017 1.00 0.60 H new ATOM 0 HG23 THR A 47 6.638 -15.229 6.329 1.00 0.60 H new ATOM 759 N ARG A 48 9.215 -11.573 5.770 1.00 0.35 N ATOM 760 CA ARG A 48 9.914 -10.719 6.722 1.00 0.38 C ATOM 761 C ARG A 48 9.239 -9.359 6.818 1.00 0.34 C ATOM 762 O ARG A 48 9.356 -8.674 7.828 1.00 0.38 O ATOM 763 CB ARG A 48 11.374 -10.542 6.331 1.00 0.42 C ATOM 764 CG ARG A 48 12.344 -11.118 7.344 1.00 0.73 C ATOM 765 CD ARG A 48 13.581 -10.249 7.468 1.00 0.80 C ATOM 766 NE ARG A 48 14.789 -10.948 7.034 1.00 0.90 N ATOM 767 CZ ARG A 48 15.759 -11.338 7.859 1.00 1.43 C ATOM 768 NH1 ARG A 48 15.623 -11.183 9.171 1.00 1.83 N ATOM 769 NH2 ARG A 48 16.854 -11.906 7.369 1.00 1.87 N ATOM 0 H ARG A 48 9.691 -11.688 4.875 1.00 0.35 H new ATOM 0 HA ARG A 48 9.872 -11.207 7.696 1.00 0.38 H new ATOM 0 HB2 ARG A 48 11.544 -11.018 5.365 1.00 0.42 H new ATOM 0 HB3 ARG A 48 11.582 -9.480 6.204 1.00 0.42 H new ATOM 0 HG2 ARG A 48 11.855 -11.201 8.315 1.00 0.73 H new ATOM 0 HG3 ARG A 48 12.632 -12.126 7.045 1.00 0.73 H new ATOM 0 HD2 ARG A 48 13.451 -9.346 6.871 1.00 0.80 H new ATOM 0 HD3 ARG A 48 13.699 -9.932 8.504 1.00 0.80 H new ATOM 0 HE ARG A 48 14.895 -11.149 6.040 1.00 0.90 H new ATOM 0 HH11 ARG A 48 14.774 -10.764 9.550 1.00 1.83 H new ATOM 0 HH12 ARG A 48 16.368 -11.483 9.800 1.00 1.83 H new ATOM 0 HH21 ARG A 48 16.951 -12.043 6.363 1.00 1.87 H new ATOM 0 HH22 ARG A 48 17.598 -12.206 7.999 1.00 1.87 H new ATOM 783 N PHE A 49 8.506 -8.996 5.775 1.00 0.32 N ATOM 784 CA PHE A 49 7.766 -7.744 5.758 1.00 0.32 C ATOM 785 C PHE A 49 6.697 -7.760 6.834 1.00 0.36 C ATOM 786 O PHE A 49 6.693 -6.917 7.724 1.00 0.39 O ATOM 787 CB PHE A 49 7.117 -7.524 4.393 1.00 0.33 C ATOM 788 CG PHE A 49 7.486 -6.222 3.749 1.00 0.39 C ATOM 789 CD1 PHE A 49 8.764 -5.713 3.874 1.00 0.85 C ATOM 790 CD2 PHE A 49 6.552 -5.513 3.014 1.00 0.85 C ATOM 791 CE1 PHE A 49 9.108 -4.519 3.279 1.00 0.94 C ATOM 792 CE2 PHE A 49 6.891 -4.318 2.415 1.00 0.92 C ATOM 793 CZ PHE A 49 8.170 -3.820 2.547 1.00 0.67 C ATOM 0 H PHE A 49 8.408 -9.554 4.927 1.00 0.32 H new ATOM 0 HA PHE A 49 8.462 -6.928 5.952 1.00 0.32 H new ATOM 0 HB2 PHE A 49 7.403 -8.340 3.730 1.00 0.33 H new ATOM 0 HB3 PHE A 49 6.034 -7.569 4.505 1.00 0.33 H new ATOM 0 HD1 PHE A 49 9.502 -6.257 4.445 1.00 0.85 H new ATOM 0 HD2 PHE A 49 5.549 -5.899 2.909 1.00 0.85 H new ATOM 0 HE1 PHE A 49 10.110 -4.131 3.385 1.00 0.94 H new ATOM 0 HE2 PHE A 49 6.155 -3.773 1.843 1.00 0.92 H new ATOM 0 HZ PHE A 49 8.437 -2.884 2.078 1.00 0.67 H new ATOM 803 N LYS A 50 5.847 -8.779 6.788 1.00 0.39 N ATOM 804 CA LYS A 50 4.801 -8.951 7.787 1.00 0.45 C ATOM 805 C LYS A 50 5.412 -9.164 9.170 1.00 0.42 C ATOM 806 O LYS A 50 4.901 -8.670 10.174 1.00 0.42 O ATOM 807 CB LYS A 50 3.905 -10.136 7.420 1.00 0.54 C ATOM 808 CG LYS A 50 2.424 -9.864 7.629 1.00 0.93 C ATOM 809 CD LYS A 50 1.869 -10.660 8.799 1.00 1.47 C ATOM 810 CE LYS A 50 1.084 -11.872 8.325 1.00 1.37 C ATOM 811 NZ LYS A 50 1.649 -13.141 8.854 1.00 2.17 N ATOM 0 H LYS A 50 5.863 -9.500 6.067 1.00 0.39 H new ATOM 0 HA LYS A 50 4.195 -8.045 7.810 1.00 0.45 H new ATOM 0 HB2 LYS A 50 4.074 -10.399 6.376 1.00 0.54 H new ATOM 0 HB3 LYS A 50 4.196 -11.000 8.018 1.00 0.54 H new ATOM 0 HG2 LYS A 50 2.270 -8.800 7.807 1.00 0.93 H new ATOM 0 HG3 LYS A 50 1.875 -10.118 6.722 1.00 0.93 H new ATOM 0 HD2 LYS A 50 2.688 -10.984 9.441 1.00 1.47 H new ATOM 0 HD3 LYS A 50 1.224 -10.021 9.402 1.00 1.47 H new ATOM 0 HE2 LYS A 50 0.045 -11.778 8.641 1.00 1.37 H new ATOM 0 HE3 LYS A 50 1.084 -11.901 7.235 1.00 1.37 H new ATOM 0 HZ1 LYS A 50 1.085 -13.943 8.507 1.00 2.17 H new ATOM 0 HZ2 LYS A 50 2.632 -13.244 8.532 1.00 2.17 H new ATOM 0 HZ3 LYS A 50 1.625 -13.125 9.894 1.00 2.17 H new ATOM 825 N ALA A 51 6.543 -9.858 9.202 1.00 0.43 N ATOM 826 CA ALA A 51 7.250 -10.099 10.449 1.00 0.46 C ATOM 827 C ALA A 51 7.733 -8.791 11.061 1.00 0.44 C ATOM 828 O ALA A 51 7.366 -8.451 12.187 1.00 0.47 O ATOM 829 CB ALA A 51 8.427 -11.040 10.229 1.00 0.53 C ATOM 0 H ALA A 51 6.988 -10.263 8.378 1.00 0.43 H new ATOM 0 HA ALA A 51 6.553 -10.569 11.143 1.00 0.46 H new ATOM 0 HB1 ALA A 51 8.942 -11.206 11.175 1.00 0.53 H new ATOM 0 HB2 ALA A 51 8.064 -11.992 9.841 1.00 0.53 H new ATOM 0 HB3 ALA A 51 9.119 -10.596 9.513 1.00 0.53 H new ATOM 835 N ALA A 52 8.579 -8.078 10.327 1.00 0.46 N ATOM 836 CA ALA A 52 9.179 -6.846 10.823 1.00 0.53 C ATOM 837 C ALA A 52 8.148 -5.738 11.020 1.00 0.53 C ATOM 838 O ALA A 52 8.291 -4.915 11.923 1.00 0.65 O ATOM 839 CB ALA A 52 10.283 -6.385 9.888 1.00 0.58 C ATOM 0 H ALA A 52 8.866 -8.334 9.382 1.00 0.46 H new ATOM 0 HA ALA A 52 9.605 -7.064 11.802 1.00 0.53 H new ATOM 0 HB1 ALA A 52 10.723 -5.464 10.270 1.00 0.58 H new ATOM 0 HB2 ALA A 52 11.052 -7.155 9.825 1.00 0.58 H new ATOM 0 HB3 ALA A 52 9.868 -6.205 8.896 1.00 0.58 H new ATOM 845 N CYS A 53 7.101 -5.720 10.200 1.00 0.48 N ATOM 846 CA CYS A 53 6.064 -4.706 10.339 1.00 0.56 C ATOM 847 C CYS A 53 5.306 -4.906 11.647 1.00 0.49 C ATOM 848 O CYS A 53 4.980 -3.941 12.342 1.00 0.53 O ATOM 849 CB CYS A 53 5.106 -4.723 9.139 1.00 0.68 C ATOM 850 SG CYS A 53 3.783 -5.954 9.231 1.00 1.29 S ATOM 0 H CYS A 53 6.950 -6.387 9.443 1.00 0.48 H new ATOM 0 HA CYS A 53 6.542 -3.727 10.361 1.00 0.56 H new ATOM 0 HB2 CYS A 53 4.656 -3.735 9.039 1.00 0.68 H new ATOM 0 HB3 CYS A 53 5.686 -4.902 8.233 1.00 0.68 H new ATOM 0 HG CYS A 53 4.231 -7.031 9.806 1.00 1.29 H new ATOM 856 N ALA A 54 5.117 -6.168 12.027 1.00 0.45 N ATOM 857 CA ALA A 54 4.481 -6.500 13.295 1.00 0.52 C ATOM 858 C ALA A 54 5.435 -6.237 14.457 1.00 0.53 C ATOM 859 O ALA A 54 5.008 -5.917 15.566 1.00 0.63 O ATOM 860 CB ALA A 54 4.026 -7.953 13.295 1.00 0.63 C ATOM 0 H ALA A 54 5.397 -6.977 11.472 1.00 0.45 H new ATOM 0 HA ALA A 54 3.605 -5.864 13.420 1.00 0.52 H new ATOM 0 HB1 ALA A 54 3.553 -8.186 14.249 1.00 0.63 H new ATOM 0 HB2 ALA A 54 3.311 -8.110 12.487 1.00 0.63 H new ATOM 0 HB3 ALA A 54 4.888 -8.604 13.149 1.00 0.63 H new ATOM 866 N ARG A 55 6.730 -6.344 14.185 1.00 0.53 N ATOM 867 CA ARG A 55 7.753 -6.094 15.192 1.00 0.66 C ATOM 868 C ARG A 55 7.831 -4.609 15.518 1.00 0.65 C ATOM 869 O ARG A 55 7.856 -4.220 16.686 1.00 0.75 O ATOM 870 CB ARG A 55 9.121 -6.592 14.713 1.00 0.77 C ATOM 871 CG ARG A 55 9.190 -8.096 14.528 1.00 1.38 C ATOM 872 CD ARG A 55 10.529 -8.653 14.968 1.00 1.87 C ATOM 873 NE ARG A 55 11.158 -9.474 13.933 1.00 2.37 N ATOM 874 CZ ARG A 55 10.855 -10.753 13.701 1.00 2.79 C ATOM 875 NH1 ARG A 55 9.892 -11.355 14.392 1.00 2.91 N ATOM 876 NH2 ARG A 55 11.515 -11.424 12.766 1.00 3.58 N ATOM 0 H ARG A 55 7.098 -6.604 13.270 1.00 0.53 H new ATOM 0 HA ARG A 55 7.477 -6.641 16.094 1.00 0.66 H new ATOM 0 HB2 ARG A 55 9.364 -6.107 13.768 1.00 0.77 H new ATOM 0 HB3 ARG A 55 9.881 -6.288 15.432 1.00 0.77 H new ATOM 0 HG2 ARG A 55 8.393 -8.570 15.100 1.00 1.38 H new ATOM 0 HG3 ARG A 55 9.020 -8.342 13.480 1.00 1.38 H new ATOM 0 HD2 ARG A 55 11.194 -7.830 15.229 1.00 1.87 H new ATOM 0 HD3 ARG A 55 10.393 -9.251 15.869 1.00 1.87 H new ATOM 0 HE ARG A 55 11.875 -9.041 13.351 1.00 2.37 H new ATOM 0 HH11 ARG A 55 9.378 -10.839 15.106 1.00 2.91 H new ATOM 0 HH12 ARG A 55 9.667 -12.333 14.208 1.00 2.91 H new ATOM 0 HH21 ARG A 55 12.249 -10.962 12.229 1.00 3.58 H new ATOM 0 HH22 ARG A 55 11.288 -12.402 12.584 1.00 3.58 H new ATOM 890 N LYS A 56 7.866 -3.783 14.479 1.00 0.59 N ATOM 891 CA LYS A 56 7.958 -2.339 14.651 1.00 0.64 C ATOM 892 C LYS A 56 6.612 -1.747 15.049 1.00 0.54 C ATOM 893 O LYS A 56 6.545 -0.672 15.651 1.00 0.67 O ATOM 894 CB LYS A 56 8.454 -1.682 13.361 1.00 0.71 C ATOM 895 CG LYS A 56 9.832 -1.053 13.490 1.00 1.15 C ATOM 896 CD LYS A 56 10.522 -0.926 12.139 1.00 1.46 C ATOM 897 CE LYS A 56 11.873 -1.624 12.122 1.00 2.01 C ATOM 898 NZ LYS A 56 12.594 -1.499 13.417 1.00 2.32 N ATOM 0 H LYS A 56 7.832 -4.090 13.507 1.00 0.59 H new ATOM 0 HA LYS A 56 8.670 -2.141 15.452 1.00 0.64 H new ATOM 0 HB2 LYS A 56 8.478 -2.430 12.568 1.00 0.71 H new ATOM 0 HB3 LYS A 56 7.741 -0.916 13.056 1.00 0.71 H new ATOM 0 HG2 LYS A 56 9.741 -0.067 13.946 1.00 1.15 H new ATOM 0 HG3 LYS A 56 10.447 -1.657 14.157 1.00 1.15 H new ATOM 0 HD2 LYS A 56 9.884 -1.352 11.365 1.00 1.46 H new ATOM 0 HD3 LYS A 56 10.656 0.129 11.898 1.00 1.46 H new ATOM 0 HE2 LYS A 56 11.730 -2.679 11.889 1.00 2.01 H new ATOM 0 HE3 LYS A 56 12.486 -1.202 11.326 1.00 2.01 H new ATOM 0 HZ1 LYS A 56 13.619 -1.491 13.244 1.00 2.32 H new ATOM 0 HZ2 LYS A 56 12.315 -0.614 13.886 1.00 2.32 H new ATOM 0 HZ3 LYS A 56 12.352 -2.305 14.028 1.00 2.32 H new ATOM 912 N GLY A 57 5.543 -2.444 14.695 1.00 0.48 N ATOM 913 CA GLY A 57 4.212 -1.969 15.007 1.00 0.47 C ATOM 914 C GLY A 57 3.777 -0.857 14.079 1.00 0.51 C ATOM 915 O GLY A 57 3.438 0.240 14.523 1.00 0.58 O ATOM 0 H GLY A 57 5.574 -3.333 14.196 1.00 0.48 H new ATOM 0 HA2 GLY A 57 3.506 -2.796 14.938 1.00 0.47 H new ATOM 0 HA3 GLY A 57 4.186 -1.613 16.037 1.00 0.47 H new ATOM 919 N THR A 58 3.810 -1.129 12.788 1.00 0.59 N ATOM 920 CA THR A 58 3.434 -0.140 11.796 1.00 0.73 C ATOM 921 C THR A 58 2.791 -0.815 10.585 1.00 0.56 C ATOM 922 O THR A 58 2.935 -2.025 10.391 1.00 0.53 O ATOM 923 CB THR A 58 4.655 0.714 11.366 1.00 1.06 C ATOM 924 OG1 THR A 58 4.220 1.982 10.854 1.00 2.01 O ATOM 925 CG2 THR A 58 5.505 0.004 10.321 1.00 0.61 C ATOM 0 H THR A 58 4.094 -2.029 12.401 1.00 0.59 H new ATOM 0 HA THR A 58 2.702 0.530 12.247 1.00 0.73 H new ATOM 0 HB THR A 58 5.271 0.868 12.252 1.00 1.06 H new ATOM 0 HG1 THR A 58 4.691 2.175 10.016 1.00 2.01 H new ATOM 0 HG21 THR A 58 6.349 0.637 10.048 1.00 0.61 H new ATOM 0 HG22 THR A 58 5.874 -0.937 10.730 1.00 0.61 H new ATOM 0 HG23 THR A 58 4.901 -0.197 9.436 1.00 0.61 H new ATOM 933 N SER A 59 2.026 -0.046 9.825 1.00 0.55 N ATOM 934 CA SER A 59 1.327 -0.560 8.658 1.00 0.50 C ATOM 935 C SER A 59 2.318 -1.036 7.600 1.00 0.44 C ATOM 936 O SER A 59 3.370 -0.427 7.406 1.00 0.43 O ATOM 937 CB SER A 59 0.415 0.525 8.086 1.00 0.61 C ATOM 938 OG SER A 59 -0.036 1.395 9.113 1.00 0.72 O ATOM 0 H SER A 59 1.873 0.947 9.999 1.00 0.55 H new ATOM 0 HA SER A 59 0.721 -1.414 8.959 1.00 0.50 H new ATOM 0 HB2 SER A 59 0.952 1.096 7.329 1.00 0.61 H new ATOM 0 HB3 SER A 59 -0.440 0.065 7.591 1.00 0.61 H new ATOM 0 HG SER A 59 -0.617 2.083 8.727 1.00 0.72 H new ATOM 944 N ILE A 60 1.982 -2.135 6.933 1.00 0.46 N ATOM 945 CA ILE A 60 2.855 -2.716 5.917 1.00 0.50 C ATOM 946 C ILE A 60 3.094 -1.725 4.779 1.00 0.47 C ATOM 947 O ILE A 60 4.177 -1.685 4.191 1.00 0.50 O ATOM 948 CB ILE A 60 2.273 -4.042 5.363 1.00 0.61 C ATOM 949 CG1 ILE A 60 3.306 -4.757 4.487 1.00 0.99 C ATOM 950 CG2 ILE A 60 0.987 -3.800 4.584 1.00 1.01 C ATOM 951 CD1 ILE A 60 3.433 -6.233 4.787 1.00 0.96 C ATOM 0 H ILE A 60 1.109 -2.643 7.078 1.00 0.46 H new ATOM 0 HA ILE A 60 3.810 -2.940 6.392 1.00 0.50 H new ATOM 0 HB ILE A 60 2.033 -4.682 6.212 1.00 0.61 H new ATOM 0 HG12 ILE A 60 3.033 -4.629 3.440 1.00 0.99 H new ATOM 0 HG13 ILE A 60 4.277 -4.282 4.623 1.00 0.99 H new ATOM 0 HG21 ILE A 60 0.605 -4.749 4.209 1.00 1.01 H new ATOM 0 HG22 ILE A 60 0.245 -3.343 5.239 1.00 1.01 H new ATOM 0 HG23 ILE A 60 1.189 -3.134 3.745 1.00 1.01 H new ATOM 0 HD11 ILE A 60 4.182 -6.675 4.130 1.00 0.96 H new ATOM 0 HD12 ILE A 60 3.736 -6.368 5.825 1.00 0.96 H new ATOM 0 HD13 ILE A 60 2.473 -6.722 4.623 1.00 0.96 H new ATOM 963 N THR A 61 2.116 -0.864 4.541 1.00 0.45 N ATOM 964 CA THR A 61 2.226 0.170 3.534 1.00 0.45 C ATOM 965 C THR A 61 3.257 1.222 3.947 1.00 0.42 C ATOM 966 O THR A 61 4.059 1.685 3.129 1.00 0.41 O ATOM 967 CB THR A 61 0.859 0.836 3.313 1.00 0.51 C ATOM 968 OG1 THR A 61 -0.139 0.141 4.079 1.00 0.68 O ATOM 969 CG2 THR A 61 0.476 0.825 1.841 1.00 0.77 C ATOM 0 H THR A 61 1.227 -0.866 5.042 1.00 0.45 H new ATOM 0 HA THR A 61 2.556 -0.291 2.603 1.00 0.45 H new ATOM 0 HB THR A 61 0.922 1.874 3.640 1.00 0.51 H new ATOM 0 HG1 THR A 61 -1.012 0.565 3.941 1.00 0.68 H new ATOM 0 HG21 THR A 61 -0.496 1.303 1.714 1.00 0.77 H new ATOM 0 HG22 THR A 61 1.225 1.369 1.266 1.00 0.77 H new ATOM 0 HG23 THR A 61 0.423 -0.204 1.486 1.00 0.77 H new ATOM 977 N ASP A 62 3.288 1.523 5.243 1.00 0.42 N ATOM 978 CA ASP A 62 4.251 2.469 5.803 1.00 0.42 C ATOM 979 C ASP A 62 5.657 1.884 5.773 1.00 0.36 C ATOM 980 O ASP A 62 6.633 2.606 5.593 1.00 0.35 O ATOM 981 CB ASP A 62 3.864 2.829 7.242 1.00 0.47 C ATOM 982 CG ASP A 62 4.872 3.740 7.917 1.00 0.61 C ATOM 983 OD1 ASP A 62 5.060 4.881 7.441 1.00 0.92 O ATOM 984 OD2 ASP A 62 5.501 3.309 8.910 1.00 1.06 O ATOM 0 H ASP A 62 2.651 1.121 5.931 1.00 0.42 H new ATOM 0 HA ASP A 62 4.238 3.373 5.195 1.00 0.42 H new ATOM 0 HB2 ASP A 62 2.888 3.315 7.239 1.00 0.47 H new ATOM 0 HB3 ASP A 62 3.763 1.914 7.825 1.00 0.47 H new ATOM 989 N VAL A 63 5.745 0.565 5.895 1.00 0.34 N ATOM 990 CA VAL A 63 7.025 -0.131 5.827 1.00 0.32 C ATOM 991 C VAL A 63 7.703 0.124 4.487 1.00 0.31 C ATOM 992 O VAL A 63 8.874 0.501 4.440 1.00 0.35 O ATOM 993 CB VAL A 63 6.848 -1.650 6.031 1.00 0.36 C ATOM 994 CG1 VAL A 63 8.173 -2.373 5.882 1.00 0.68 C ATOM 995 CG2 VAL A 63 6.240 -1.936 7.392 1.00 0.66 C ATOM 0 H VAL A 63 4.942 -0.047 6.042 1.00 0.34 H new ATOM 0 HA VAL A 63 7.652 0.258 6.629 1.00 0.32 H new ATOM 0 HB VAL A 63 6.169 -2.019 5.262 1.00 0.36 H new ATOM 0 HG11 VAL A 63 8.023 -3.442 6.030 1.00 0.68 H new ATOM 0 HG12 VAL A 63 8.573 -2.198 4.883 1.00 0.68 H new ATOM 0 HG13 VAL A 63 8.877 -1.999 6.625 1.00 0.68 H new ATOM 0 HG21 VAL A 63 6.122 -3.012 7.519 1.00 0.66 H new ATOM 0 HG22 VAL A 63 6.895 -1.548 8.172 1.00 0.66 H new ATOM 0 HG23 VAL A 63 5.265 -1.453 7.464 1.00 0.66 H new ATOM 1005 N VAL A 64 6.939 -0.002 3.405 1.00 0.29 N ATOM 1006 CA VAL A 64 7.459 0.271 2.070 1.00 0.29 C ATOM 1007 C VAL A 64 7.861 1.734 1.946 1.00 0.31 C ATOM 1008 O VAL A 64 8.959 2.048 1.495 1.00 0.34 O ATOM 1009 CB VAL A 64 6.440 -0.062 0.963 1.00 0.31 C ATOM 1010 CG1 VAL A 64 7.151 -0.282 -0.365 1.00 0.33 C ATOM 1011 CG2 VAL A 64 5.605 -1.280 1.331 1.00 0.38 C ATOM 0 H VAL A 64 5.961 -0.291 3.427 1.00 0.29 H new ATOM 0 HA VAL A 64 8.329 -0.373 1.937 1.00 0.29 H new ATOM 0 HB VAL A 64 5.764 0.787 0.861 1.00 0.31 H new ATOM 0 HG11 VAL A 64 6.417 -0.516 -1.136 1.00 0.33 H new ATOM 0 HG12 VAL A 64 7.692 0.623 -0.642 1.00 0.33 H new ATOM 0 HG13 VAL A 64 7.853 -1.110 -0.269 1.00 0.33 H new ATOM 0 HG21 VAL A 64 4.895 -1.490 0.531 1.00 0.38 H new ATOM 0 HG22 VAL A 64 6.259 -2.141 1.471 1.00 0.38 H new ATOM 0 HG23 VAL A 64 5.062 -1.083 2.255 1.00 0.38 H new ATOM 1021 N ASN A 65 7.002 2.616 2.437 1.00 0.32 N ATOM 1022 CA ASN A 65 7.286 4.048 2.444 1.00 0.35 C ATOM 1023 C ASN A 65 8.584 4.341 3.199 1.00 0.38 C ATOM 1024 O ASN A 65 9.368 5.202 2.797 1.00 0.40 O ATOM 1025 CB ASN A 65 6.124 4.809 3.089 1.00 0.40 C ATOM 1026 CG ASN A 65 5.896 6.175 2.470 1.00 0.48 C ATOM 1027 OD1 ASN A 65 6.550 7.150 2.830 1.00 0.91 O ATOM 1028 ND2 ASN A 65 4.957 6.259 1.541 1.00 0.48 N ATOM 0 H ASN A 65 6.098 2.366 2.838 1.00 0.32 H new ATOM 0 HA ASN A 65 7.405 4.380 1.412 1.00 0.35 H new ATOM 0 HB2 ASN A 65 5.213 4.217 2.997 1.00 0.40 H new ATOM 0 HB3 ASN A 65 6.321 4.927 4.155 1.00 0.40 H new ATOM 0 HD21 ASN A 65 4.756 7.156 1.098 1.00 0.48 H new ATOM 0 HD22 ASN A 65 4.434 5.427 1.268 1.00 0.48 H new ATOM 1035 N GLN A 66 8.811 3.593 4.272 1.00 0.39 N ATOM 1036 CA GLN A 66 9.997 3.760 5.101 1.00 0.42 C ATOM 1037 C GLN A 66 11.271 3.381 4.352 1.00 0.40 C ATOM 1038 O GLN A 66 12.248 4.122 4.391 1.00 0.44 O ATOM 1039 CB GLN A 66 9.872 2.928 6.375 1.00 0.44 C ATOM 1040 CG GLN A 66 10.806 3.380 7.486 1.00 0.87 C ATOM 1041 CD GLN A 66 11.178 2.255 8.433 1.00 1.45 C ATOM 1042 OE1 GLN A 66 12.294 1.741 8.402 1.00 2.20 O ATOM 1043 NE2 GLN A 66 10.243 1.866 9.284 1.00 1.61 N ATOM 0 H GLN A 66 8.181 2.857 4.590 1.00 0.39 H new ATOM 0 HA GLN A 66 10.068 4.816 5.363 1.00 0.42 H new ATOM 0 HB2 GLN A 66 8.844 2.977 6.733 1.00 0.44 H new ATOM 0 HB3 GLN A 66 10.078 1.884 6.140 1.00 0.44 H new ATOM 0 HG2 GLN A 66 11.713 3.794 7.046 1.00 0.87 H new ATOM 0 HG3 GLN A 66 10.331 4.182 8.051 1.00 0.87 H new ATOM 0 HE21 GLN A 66 9.329 2.318 9.279 1.00 1.61 H new ATOM 0 HE22 GLN A 66 10.436 1.114 9.946 1.00 1.61 H new ATOM 1052 N LEU A 67 11.277 2.230 3.681 1.00 0.36 N ATOM 1053 CA LEU A 67 12.475 1.800 2.961 1.00 0.35 C ATOM 1054 C LEU A 67 12.760 2.719 1.782 1.00 0.31 C ATOM 1055 O LEU A 67 13.917 3.025 1.504 1.00 0.32 O ATOM 1056 CB LEU A 67 12.393 0.348 2.478 1.00 0.38 C ATOM 1057 CG LEU A 67 10.999 -0.204 2.219 1.00 0.63 C ATOM 1058 CD1 LEU A 67 10.782 -0.407 0.729 1.00 1.04 C ATOM 1059 CD2 LEU A 67 10.813 -1.509 2.967 1.00 1.01 C ATOM 0 H LEU A 67 10.485 1.591 3.621 1.00 0.36 H new ATOM 0 HA LEU A 67 13.295 1.859 3.676 1.00 0.35 H new ATOM 0 HB2 LEU A 67 12.970 0.262 1.558 1.00 0.38 H new ATOM 0 HB3 LEU A 67 12.879 -0.286 3.220 1.00 0.38 H new ATOM 0 HG LEU A 67 10.261 0.513 2.579 1.00 0.63 H new ATOM 0 HD11 LEU A 67 9.781 -0.802 0.558 1.00 1.04 H new ATOM 0 HD12 LEU A 67 10.889 0.547 0.212 1.00 1.04 H new ATOM 0 HD13 LEU A 67 11.521 -1.111 0.346 1.00 1.04 H new ATOM 0 HD21 LEU A 67 9.813 -1.898 2.777 1.00 1.01 H new ATOM 0 HD22 LEU A 67 11.554 -2.232 2.627 1.00 1.01 H new ATOM 0 HD23 LEU A 67 10.938 -1.337 4.036 1.00 1.01 H new ATOM 1071 N VAL A 68 11.705 3.222 1.142 1.00 0.29 N ATOM 1072 CA VAL A 68 11.874 4.183 0.058 1.00 0.28 C ATOM 1073 C VAL A 68 12.530 5.446 0.596 1.00 0.30 C ATOM 1074 O VAL A 68 13.555 5.890 0.085 1.00 0.32 O ATOM 1075 CB VAL A 68 10.531 4.559 -0.611 1.00 0.28 C ATOM 1076 CG1 VAL A 68 10.758 5.498 -1.785 1.00 0.81 C ATOM 1077 CG2 VAL A 68 9.786 3.320 -1.068 1.00 0.69 C ATOM 0 H VAL A 68 10.736 2.983 1.353 1.00 0.29 H new ATOM 0 HA VAL A 68 12.503 3.712 -0.697 1.00 0.28 H new ATOM 0 HB VAL A 68 9.921 5.072 0.132 1.00 0.28 H new ATOM 0 HG11 VAL A 68 9.800 5.749 -2.240 1.00 0.81 H new ATOM 0 HG12 VAL A 68 11.243 6.409 -1.434 1.00 0.81 H new ATOM 0 HG13 VAL A 68 11.394 5.010 -2.524 1.00 0.81 H new ATOM 0 HG21 VAL A 68 8.845 3.612 -1.535 1.00 0.69 H new ATOM 0 HG22 VAL A 68 10.395 2.775 -1.789 1.00 0.69 H new ATOM 0 HG23 VAL A 68 9.581 2.681 -0.209 1.00 0.69 H new ATOM 1087 N ASP A 69 11.993 5.937 1.704 1.00 0.33 N ATOM 1088 CA ASP A 69 12.552 7.093 2.401 1.00 0.39 C ATOM 1089 C ASP A 69 13.995 6.831 2.820 1.00 0.36 C ATOM 1090 O ASP A 69 14.870 7.681 2.654 1.00 0.37 O ATOM 1091 CB ASP A 69 11.705 7.409 3.637 1.00 0.50 C ATOM 1092 CG ASP A 69 12.054 8.738 4.276 1.00 0.74 C ATOM 1093 OD1 ASP A 69 11.619 9.788 3.759 1.00 1.11 O ATOM 1094 OD2 ASP A 69 12.795 8.741 5.281 1.00 1.33 O ATOM 0 H ASP A 69 11.160 5.549 2.146 1.00 0.33 H new ATOM 0 HA ASP A 69 12.540 7.944 1.720 1.00 0.39 H new ATOM 0 HB2 ASP A 69 10.652 7.414 3.356 1.00 0.50 H new ATOM 0 HB3 ASP A 69 11.836 6.615 4.372 1.00 0.50 H new ATOM 1099 N ASN A 70 14.222 5.656 3.385 1.00 0.35 N ATOM 1100 CA ASN A 70 15.531 5.276 3.896 1.00 0.37 C ATOM 1101 C ASN A 70 16.574 5.185 2.787 1.00 0.33 C ATOM 1102 O ASN A 70 17.579 5.895 2.821 1.00 0.40 O ATOM 1103 CB ASN A 70 15.439 3.940 4.634 1.00 0.44 C ATOM 1104 CG ASN A 70 16.575 3.746 5.618 1.00 0.89 C ATOM 1105 OD1 ASN A 70 16.833 4.603 6.465 1.00 0.95 O ATOM 1106 ND2 ASN A 70 17.256 2.617 5.518 1.00 1.69 N ATOM 0 H ASN A 70 13.506 4.939 3.503 1.00 0.35 H new ATOM 0 HA ASN A 70 15.851 6.056 4.587 1.00 0.37 H new ATOM 0 HB2 ASN A 70 14.489 3.886 5.165 1.00 0.44 H new ATOM 0 HB3 ASN A 70 15.446 3.126 3.909 1.00 0.44 H new ATOM 0 HD21 ASN A 70 18.028 2.429 6.157 1.00 1.69 H new ATOM 0 HD22 ASN A 70 17.009 1.934 4.802 1.00 1.69 H new ATOM 1113 N TRP A 71 16.337 4.316 1.804 1.00 0.30 N ATOM 1114 CA TRP A 71 17.283 4.127 0.704 1.00 0.36 C ATOM 1115 C TRP A 71 17.499 5.433 -0.055 1.00 0.35 C ATOM 1116 O TRP A 71 18.599 5.708 -0.542 1.00 0.40 O ATOM 1117 CB TRP A 71 16.802 3.029 -0.257 1.00 0.42 C ATOM 1118 CG TRP A 71 17.857 2.604 -1.241 1.00 0.52 C ATOM 1119 CD1 TRP A 71 18.931 1.795 -0.997 1.00 0.63 C ATOM 1120 CD2 TRP A 71 17.935 2.959 -2.630 1.00 0.58 C ATOM 1121 NE1 TRP A 71 19.693 1.671 -2.132 1.00 0.72 N ATOM 1122 CE2 TRP A 71 19.102 2.363 -3.147 1.00 0.68 C ATOM 1123 CE3 TRP A 71 17.146 3.733 -3.486 1.00 0.62 C ATOM 1124 CZ2 TRP A 71 19.491 2.515 -4.473 1.00 0.77 C ATOM 1125 CZ3 TRP A 71 17.532 3.874 -4.806 1.00 0.73 C ATOM 1126 CH2 TRP A 71 18.697 3.271 -5.286 1.00 0.77 C ATOM 0 H TRP A 71 15.501 3.734 1.747 1.00 0.30 H new ATOM 0 HA TRP A 71 18.234 3.813 1.135 1.00 0.36 H new ATOM 0 HB2 TRP A 71 16.483 2.162 0.322 1.00 0.42 H new ATOM 0 HB3 TRP A 71 15.929 3.388 -0.802 1.00 0.42 H new ATOM 0 HD1 TRP A 71 19.148 1.323 -0.050 1.00 0.63 H new ATOM 0 HE1 TRP A 71 20.564 1.144 -2.204 1.00 0.72 H new ATOM 0 HE3 TRP A 71 16.250 4.213 -3.122 1.00 0.62 H new ATOM 0 HZ2 TRP A 71 20.391 2.050 -4.847 1.00 0.77 H new ATOM 0 HZ3 TRP A 71 16.922 4.460 -5.478 1.00 0.73 H new ATOM 0 HH2 TRP A 71 18.975 3.406 -6.321 1.00 0.77 H new ATOM 1137 N LEU A 72 16.451 6.242 -0.140 1.00 0.36 N ATOM 1138 CA LEU A 72 16.528 7.521 -0.831 1.00 0.42 C ATOM 1139 C LEU A 72 17.494 8.466 -0.135 1.00 0.49 C ATOM 1140 O LEU A 72 18.388 9.021 -0.760 1.00 0.61 O ATOM 1141 CB LEU A 72 15.148 8.174 -0.899 1.00 0.45 C ATOM 1142 CG LEU A 72 14.479 8.165 -2.272 1.00 0.42 C ATOM 1143 CD1 LEU A 72 14.788 6.875 -3.019 1.00 1.23 C ATOM 1144 CD2 LEU A 72 12.978 8.348 -2.122 1.00 1.38 C ATOM 0 H LEU A 72 15.537 6.034 0.262 1.00 0.36 H new ATOM 0 HA LEU A 72 16.892 7.327 -1.840 1.00 0.42 H new ATOM 0 HB2 LEU A 72 14.491 7.668 -0.192 1.00 0.45 H new ATOM 0 HB3 LEU A 72 15.239 9.208 -0.566 1.00 0.45 H new ATOM 0 HG LEU A 72 14.878 8.995 -2.855 1.00 0.42 H new ATOM 0 HD11 LEU A 72 14.300 6.893 -3.994 1.00 1.23 H new ATOM 0 HD12 LEU A 72 15.866 6.782 -3.154 1.00 1.23 H new ATOM 0 HD13 LEU A 72 14.420 6.025 -2.445 1.00 1.23 H new ATOM 0 HD21 LEU A 72 12.510 8.340 -3.107 1.00 1.38 H new ATOM 0 HD22 LEU A 72 12.571 7.535 -1.520 1.00 1.38 H new ATOM 0 HD23 LEU A 72 12.775 9.300 -1.631 1.00 1.38 H new ATOM 1156 N LYS A 73 17.287 8.677 1.150 1.00 0.51 N ATOM 1157 CA LYS A 73 18.102 9.622 1.896 1.00 0.64 C ATOM 1158 C LYS A 73 19.505 9.072 2.139 1.00 0.63 C ATOM 1159 O LYS A 73 20.456 9.836 2.302 1.00 0.74 O ATOM 1160 CB LYS A 73 17.427 9.967 3.220 1.00 0.82 C ATOM 1161 CG LYS A 73 16.101 10.692 3.048 1.00 0.97 C ATOM 1162 CD LYS A 73 15.259 10.617 4.306 1.00 1.32 C ATOM 1163 CE LYS A 73 14.588 11.944 4.607 1.00 1.19 C ATOM 1164 NZ LYS A 73 13.128 11.903 4.334 1.00 1.42 N ATOM 0 H LYS A 73 16.565 8.210 1.699 1.00 0.51 H new ATOM 0 HA LYS A 73 18.199 10.530 1.301 1.00 0.64 H new ATOM 0 HB2 LYS A 73 17.261 9.050 3.785 1.00 0.82 H new ATOM 0 HB3 LYS A 73 18.099 10.589 3.811 1.00 0.82 H new ATOM 0 HG2 LYS A 73 16.286 11.736 2.795 1.00 0.97 H new ATOM 0 HG3 LYS A 73 15.551 10.254 2.215 1.00 0.97 H new ATOM 0 HD2 LYS A 73 14.501 9.843 4.192 1.00 1.32 H new ATOM 0 HD3 LYS A 73 15.887 10.326 5.148 1.00 1.32 H new ATOM 0 HE2 LYS A 73 14.754 12.206 5.652 1.00 1.19 H new ATOM 0 HE3 LYS A 73 15.048 12.728 4.005 1.00 1.19 H new ATOM 0 HZ1 LYS A 73 12.856 12.736 3.774 1.00 1.42 H new ATOM 0 HZ2 LYS A 73 12.898 11.039 3.803 1.00 1.42 H new ATOM 0 HZ3 LYS A 73 12.606 11.905 5.234 1.00 1.42 H new ATOM 1178 N GLU A 74 19.625 7.751 2.191 1.00 0.60 N ATOM 1179 CA GLU A 74 20.902 7.114 2.478 1.00 0.77 C ATOM 1180 C GLU A 74 21.800 7.050 1.242 1.00 0.85 C ATOM 1181 O GLU A 74 23.009 7.250 1.341 1.00 1.00 O ATOM 1182 CB GLU A 74 20.679 5.703 3.029 1.00 0.93 C ATOM 1183 CG GLU A 74 20.430 5.676 4.529 1.00 1.00 C ATOM 1184 CD GLU A 74 21.499 6.413 5.306 1.00 1.39 C ATOM 1185 OE1 GLU A 74 22.661 5.953 5.304 1.00 2.41 O ATOM 1186 OE2 GLU A 74 21.187 7.454 5.923 1.00 1.30 O ATOM 0 H GLU A 74 18.854 7.101 2.038 1.00 0.60 H new ATOM 0 HA GLU A 74 21.407 7.724 3.227 1.00 0.77 H new ATOM 0 HB2 GLU A 74 19.829 5.251 2.518 1.00 0.93 H new ATOM 0 HB3 GLU A 74 21.551 5.089 2.801 1.00 0.93 H new ATOM 0 HG2 GLU A 74 19.458 6.122 4.741 1.00 1.00 H new ATOM 0 HG3 GLU A 74 20.387 4.641 4.869 1.00 1.00 H new ATOM 1719 N LYS B 33 6.715 -17.384 -5.007 1.00 1.35 N ATOM 1720 CA LYS B 33 7.964 -16.824 -4.491 1.00 0.80 C ATOM 1721 C LYS B 33 8.128 -15.363 -4.910 1.00 0.59 C ATOM 1722 O LYS B 33 9.096 -14.702 -4.535 1.00 0.58 O ATOM 1723 CB LYS B 33 9.158 -17.647 -4.980 1.00 1.23 C ATOM 1724 CG LYS B 33 9.174 -19.068 -4.439 1.00 2.23 C ATOM 1725 CD LYS B 33 10.230 -19.245 -3.359 1.00 3.13 C ATOM 1726 CE LYS B 33 9.603 -19.605 -2.023 1.00 4.15 C ATOM 1727 NZ LYS B 33 10.130 -18.761 -0.920 1.00 4.99 N ATOM 0 HA LYS B 33 7.925 -16.864 -3.402 1.00 0.80 H new ATOM 0 HB2 LYS B 33 9.145 -17.681 -6.069 1.00 1.23 H new ATOM 0 HB3 LYS B 33 10.080 -17.145 -4.688 1.00 1.23 H new ATOM 0 HG2 LYS B 33 8.193 -19.314 -4.033 1.00 2.23 H new ATOM 0 HG3 LYS B 33 9.366 -19.766 -5.254 1.00 2.23 H new ATOM 0 HD2 LYS B 33 10.929 -20.026 -3.657 1.00 3.13 H new ATOM 0 HD3 LYS B 33 10.805 -18.325 -3.256 1.00 3.13 H new ATOM 0 HE2 LYS B 33 8.521 -19.487 -2.086 1.00 4.15 H new ATOM 0 HE3 LYS B 33 9.797 -20.655 -1.802 1.00 4.15 H new ATOM 0 HZ1 LYS B 33 9.346 -18.465 -0.305 1.00 4.99 H new ATOM 0 HZ2 LYS B 33 10.819 -19.307 -0.364 1.00 4.99 H new ATOM 0 HZ3 LYS B 33 10.595 -17.920 -1.318 1.00 4.99 H new ATOM 1741 N ILE B 34 7.132 -14.848 -5.608 1.00 0.67 N ATOM 1742 CA ILE B 34 7.094 -13.450 -5.988 1.00 0.59 C ATOM 1743 C ILE B 34 5.694 -12.897 -5.726 1.00 0.57 C ATOM 1744 O ILE B 34 4.710 -13.642 -5.775 1.00 0.68 O ATOM 1745 CB ILE B 34 7.482 -13.258 -7.474 1.00 0.78 C ATOM 1746 CG1 ILE B 34 7.792 -11.789 -7.765 1.00 1.38 C ATOM 1747 CG2 ILE B 34 6.386 -13.766 -8.401 1.00 1.45 C ATOM 1748 CD1 ILE B 34 9.141 -11.572 -8.412 1.00 1.92 C ATOM 0 H ILE B 34 6.328 -15.388 -5.927 1.00 0.67 H new ATOM 0 HA ILE B 34 7.823 -12.905 -5.388 1.00 0.59 H new ATOM 0 HB ILE B 34 8.380 -13.846 -7.662 1.00 0.78 H new ATOM 0 HG12 ILE B 34 7.017 -11.385 -8.416 1.00 1.38 H new ATOM 0 HG13 ILE B 34 7.751 -11.226 -6.833 1.00 1.38 H new ATOM 0 HG21 ILE B 34 6.688 -13.617 -9.438 1.00 1.45 H new ATOM 0 HG22 ILE B 34 6.220 -14.828 -8.220 1.00 1.45 H new ATOM 0 HG23 ILE B 34 5.464 -13.217 -8.210 1.00 1.45 H new ATOM 0 HD11 ILE B 34 9.293 -10.507 -8.589 1.00 1.92 H new ATOM 0 HD12 ILE B 34 9.925 -11.945 -7.753 1.00 1.92 H new ATOM 0 HD13 ILE B 34 9.180 -12.107 -9.361 1.00 1.92 H new ATOM 1760 N LYS B 35 5.626 -11.646 -5.301 1.00 0.54 N ATOM 1761 CA LYS B 35 4.360 -11.034 -4.929 1.00 0.58 C ATOM 1762 C LYS B 35 4.251 -9.633 -5.515 1.00 0.59 C ATOM 1763 O LYS B 35 5.259 -8.975 -5.763 1.00 0.67 O ATOM 1764 CB LYS B 35 4.195 -10.969 -3.402 1.00 0.70 C ATOM 1765 CG LYS B 35 5.398 -11.462 -2.603 1.00 0.94 C ATOM 1766 CD LYS B 35 5.334 -12.964 -2.332 1.00 1.25 C ATOM 1767 CE LYS B 35 4.006 -13.381 -1.717 1.00 1.12 C ATOM 1768 NZ LYS B 35 3.390 -14.515 -2.456 1.00 1.30 N ATOM 0 H LYS B 35 6.435 -11.032 -5.205 1.00 0.54 H new ATOM 0 HA LYS B 35 3.564 -11.658 -5.335 1.00 0.58 H new ATOM 0 HB2 LYS B 35 3.987 -9.938 -3.118 1.00 0.70 H new ATOM 0 HB3 LYS B 35 3.323 -11.560 -3.120 1.00 0.70 H new ATOM 0 HG2 LYS B 35 6.313 -11.232 -3.148 1.00 0.94 H new ATOM 0 HG3 LYS B 35 5.448 -10.925 -1.656 1.00 0.94 H new ATOM 0 HD2 LYS B 35 5.487 -13.507 -3.265 1.00 1.25 H new ATOM 0 HD3 LYS B 35 6.147 -13.246 -1.663 1.00 1.25 H new ATOM 0 HE2 LYS B 35 4.160 -13.666 -0.676 1.00 1.12 H new ATOM 0 HE3 LYS B 35 3.322 -12.532 -1.717 1.00 1.12 H new ATOM 0 HZ1 LYS B 35 2.487 -14.771 -2.008 1.00 1.30 H new ATOM 0 HZ2 LYS B 35 3.220 -14.235 -3.443 1.00 1.30 H new ATOM 0 HZ3 LYS B 35 4.032 -15.333 -2.434 1.00 1.30 H new ATOM 1782 N ARG B 36 3.025 -9.177 -5.706 1.00 0.63 N ATOM 1783 CA ARG B 36 2.778 -7.850 -6.247 1.00 0.65 C ATOM 1784 C ARG B 36 2.316 -6.905 -5.148 1.00 0.63 C ATOM 1785 O ARG B 36 1.313 -7.161 -4.478 1.00 0.77 O ATOM 1786 CB ARG B 36 1.725 -7.918 -7.351 1.00 0.72 C ATOM 1787 CG ARG B 36 2.243 -8.509 -8.648 1.00 1.52 C ATOM 1788 CD ARG B 36 1.108 -8.987 -9.544 1.00 1.83 C ATOM 1789 NE ARG B 36 0.006 -8.025 -9.604 1.00 2.61 N ATOM 1790 CZ ARG B 36 -0.013 -6.954 -10.396 1.00 3.31 C ATOM 1791 NH1 ARG B 36 0.985 -6.733 -11.246 1.00 3.37 N ATOM 1792 NH2 ARG B 36 -1.036 -6.113 -10.349 1.00 4.33 N ATOM 0 H ARG B 36 2.181 -9.709 -5.493 1.00 0.63 H new ATOM 0 HA ARG B 36 3.709 -7.470 -6.667 1.00 0.65 H new ATOM 0 HB2 ARG B 36 0.882 -8.514 -7.001 1.00 0.72 H new ATOM 0 HB3 ARG B 36 1.348 -6.914 -7.544 1.00 0.72 H new ATOM 0 HG2 ARG B 36 2.834 -7.762 -9.177 1.00 1.52 H new ATOM 0 HG3 ARG B 36 2.908 -9.344 -8.427 1.00 1.52 H new ATOM 0 HD2 ARG B 36 1.491 -9.161 -10.550 1.00 1.83 H new ATOM 0 HD3 ARG B 36 0.734 -9.942 -9.175 1.00 1.83 H new ATOM 0 HE ARG B 36 -0.800 -8.185 -9.000 1.00 2.61 H new ATOM 0 HH11 ARG B 36 1.768 -7.384 -11.293 1.00 3.37 H new ATOM 0 HH12 ARG B 36 0.967 -5.912 -11.851 1.00 3.37 H new ATOM 0 HH21 ARG B 36 -1.809 -6.286 -9.706 1.00 4.33 H new ATOM 0 HH22 ARG B 36 -1.050 -5.293 -10.955 1.00 4.33 H new ATOM 1806 N VAL B 37 3.050 -5.822 -4.951 1.00 0.53 N ATOM 1807 CA VAL B 37 2.711 -4.853 -3.921 1.00 0.56 C ATOM 1808 C VAL B 37 2.478 -3.478 -4.537 1.00 0.49 C ATOM 1809 O VAL B 37 3.364 -2.915 -5.175 1.00 0.49 O ATOM 1810 CB VAL B 37 3.818 -4.757 -2.843 1.00 0.71 C ATOM 1811 CG1 VAL B 37 3.487 -3.679 -1.822 1.00 0.92 C ATOM 1812 CG2 VAL B 37 4.014 -6.100 -2.156 1.00 1.36 C ATOM 0 H VAL B 37 3.884 -5.592 -5.491 1.00 0.53 H new ATOM 0 HA VAL B 37 1.794 -5.196 -3.441 1.00 0.56 H new ATOM 0 HB VAL B 37 4.750 -4.483 -3.337 1.00 0.71 H new ATOM 0 HG11 VAL B 37 4.279 -3.630 -1.075 1.00 0.92 H new ATOM 0 HG12 VAL B 37 3.402 -2.716 -2.325 1.00 0.92 H new ATOM 0 HG13 VAL B 37 2.542 -3.918 -1.334 1.00 0.92 H new ATOM 0 HG21 VAL B 37 4.796 -6.012 -1.402 1.00 1.36 H new ATOM 0 HG22 VAL B 37 3.082 -6.404 -1.679 1.00 1.36 H new ATOM 0 HG23 VAL B 37 4.304 -6.847 -2.894 1.00 1.36 H new ATOM 1822 N ASN B 38 1.296 -2.928 -4.318 1.00 0.54 N ATOM 1823 CA ASN B 38 0.981 -1.594 -4.809 1.00 0.54 C ATOM 1824 C ASN B 38 1.019 -0.602 -3.659 1.00 0.52 C ATOM 1825 O ASN B 38 0.280 -0.739 -2.684 1.00 0.60 O ATOM 1826 CB ASN B 38 -0.395 -1.566 -5.480 1.00 0.66 C ATOM 1827 CG ASN B 38 -0.815 -0.160 -5.875 1.00 0.92 C ATOM 1828 OD1 ASN B 38 -0.131 0.513 -6.649 1.00 1.67 O ATOM 1829 ND2 ASN B 38 -1.940 0.295 -5.344 1.00 1.37 N ATOM 0 H ASN B 38 0.540 -3.381 -3.805 1.00 0.54 H new ATOM 0 HA ASN B 38 1.727 -1.316 -5.553 1.00 0.54 H new ATOM 0 HB2 ASN B 38 -0.378 -2.200 -6.366 1.00 0.66 H new ATOM 0 HB3 ASN B 38 -1.137 -1.987 -4.801 1.00 0.66 H new ATOM 0 HD21 ASN B 38 -2.268 1.233 -5.572 1.00 1.37 H new ATOM 0 HD22 ASN B 38 -2.478 -0.293 -4.707 1.00 1.37 H new ATOM 1836 N VAL B 39 1.940 0.344 -3.736 1.00 0.48 N ATOM 1837 CA VAL B 39 2.123 1.302 -2.664 1.00 0.49 C ATOM 1838 C VAL B 39 1.959 2.726 -3.168 1.00 0.46 C ATOM 1839 O VAL B 39 2.155 3.007 -4.354 1.00 0.48 O ATOM 1840 CB VAL B 39 3.510 1.171 -2.000 1.00 0.54 C ATOM 1841 CG1 VAL B 39 3.368 1.069 -0.492 1.00 0.77 C ATOM 1842 CG2 VAL B 39 4.273 -0.027 -2.550 1.00 0.54 C ATOM 0 H VAL B 39 2.570 0.467 -4.529 1.00 0.48 H new ATOM 0 HA VAL B 39 1.355 1.081 -1.923 1.00 0.49 H new ATOM 0 HB VAL B 39 4.083 2.068 -2.236 1.00 0.54 H new ATOM 0 HG11 VAL B 39 4.355 0.977 -0.039 1.00 0.77 H new ATOM 0 HG12 VAL B 39 2.876 1.964 -0.112 1.00 0.77 H new ATOM 0 HG13 VAL B 39 2.771 0.192 -0.241 1.00 0.77 H new ATOM 0 HG21 VAL B 39 5.246 -0.093 -2.063 1.00 0.54 H new ATOM 0 HG22 VAL B 39 3.708 -0.939 -2.356 1.00 0.54 H new ATOM 0 HG23 VAL B 39 4.412 0.092 -3.624 1.00 0.54 H new ATOM 1852 N ASN B 40 1.686 3.630 -2.243 1.00 0.52 N ATOM 1853 CA ASN B 40 1.598 5.046 -2.555 1.00 0.57 C ATOM 1854 C ASN B 40 2.708 5.800 -1.841 1.00 0.56 C ATOM 1855 O ASN B 40 3.002 5.533 -0.674 1.00 0.72 O ATOM 1856 CB ASN B 40 0.231 5.619 -2.165 1.00 0.77 C ATOM 1857 CG ASN B 40 -0.235 5.170 -0.792 1.00 1.47 C ATOM 1858 OD1 ASN B 40 0.236 5.659 0.231 1.00 2.28 O ATOM 1859 ND2 ASN B 40 -1.174 4.239 -0.764 1.00 1.99 N ATOM 0 H ASN B 40 1.520 3.406 -1.262 1.00 0.52 H new ATOM 0 HA ASN B 40 1.714 5.166 -3.632 1.00 0.57 H new ATOM 0 HB2 ASN B 40 0.281 6.708 -2.187 1.00 0.77 H new ATOM 0 HB3 ASN B 40 -0.507 5.319 -2.909 1.00 0.77 H new ATOM 0 HD21 ASN B 40 -1.532 3.903 0.130 1.00 1.99 H new ATOM 0 HD22 ASN B 40 -1.540 3.857 -1.636 1.00 1.99 H new ATOM 1866 N PHE B 41 3.364 6.692 -2.564 1.00 0.48 N ATOM 1867 CA PHE B 41 4.472 7.461 -2.014 1.00 0.55 C ATOM 1868 C PHE B 41 4.229 8.945 -2.231 1.00 0.60 C ATOM 1869 O PHE B 41 3.403 9.325 -3.051 1.00 0.76 O ATOM 1870 CB PHE B 41 5.795 7.044 -2.666 1.00 0.66 C ATOM 1871 CG PHE B 41 6.062 5.569 -2.602 1.00 0.67 C ATOM 1872 CD1 PHE B 41 6.174 4.928 -1.380 1.00 1.04 C ATOM 1873 CD2 PHE B 41 6.203 4.821 -3.761 1.00 1.12 C ATOM 1874 CE1 PHE B 41 6.425 3.571 -1.313 1.00 1.08 C ATOM 1875 CE2 PHE B 41 6.454 3.464 -3.699 1.00 1.26 C ATOM 1876 CZ PHE B 41 6.549 2.835 -2.489 1.00 0.93 C ATOM 0 H PHE B 41 3.148 6.903 -3.538 1.00 0.48 H new ATOM 0 HA PHE B 41 4.537 7.261 -0.944 1.00 0.55 H new ATOM 0 HB2 PHE B 41 5.790 7.358 -3.710 1.00 0.66 H new ATOM 0 HB3 PHE B 41 6.613 7.574 -2.178 1.00 0.66 H new ATOM 0 HD1 PHE B 41 6.064 5.496 -0.468 1.00 1.04 H new ATOM 0 HD2 PHE B 41 6.116 5.305 -4.723 1.00 1.12 H new ATOM 0 HE1 PHE B 41 6.524 3.084 -0.354 1.00 1.08 H new ATOM 0 HE2 PHE B 41 6.576 2.898 -4.610 1.00 1.26 H new ATOM 0 HZ PHE B 41 6.720 1.770 -2.445 1.00 0.93 H new ATOM 1886 N ASP B 42 4.925 9.779 -1.484 1.00 0.56 N ATOM 1887 CA ASP B 42 4.753 11.219 -1.602 1.00 0.59 C ATOM 1888 C ASP B 42 5.535 11.751 -2.801 1.00 0.54 C ATOM 1889 O ASP B 42 6.422 11.071 -3.319 1.00 0.51 O ATOM 1890 CB ASP B 42 5.165 11.902 -0.291 1.00 0.68 C ATOM 1891 CG ASP B 42 6.345 12.844 -0.420 1.00 1.22 C ATOM 1892 OD1 ASP B 42 6.139 14.017 -0.803 1.00 1.66 O ATOM 1893 OD2 ASP B 42 7.474 12.430 -0.091 1.00 2.03 O ATOM 0 H ASP B 42 5.614 9.489 -0.790 1.00 0.56 H new ATOM 0 HA ASP B 42 3.702 11.448 -1.778 1.00 0.59 H new ATOM 0 HB2 ASP B 42 4.312 12.458 0.098 1.00 0.68 H new ATOM 0 HB3 ASP B 42 5.407 11.134 0.444 1.00 0.68 H new ATOM 1898 N GLU B 43 5.108 12.897 -3.320 1.00 0.63 N ATOM 1899 CA GLU B 43 5.692 13.470 -4.532 1.00 0.67 C ATOM 1900 C GLU B 43 7.194 13.692 -4.370 1.00 0.56 C ATOM 1901 O GLU B 43 7.972 13.388 -5.273 1.00 0.60 O ATOM 1902 CB GLU B 43 4.999 14.791 -4.882 1.00 0.87 C ATOM 1903 CG GLU B 43 5.551 15.460 -6.129 1.00 1.09 C ATOM 1904 CD GLU B 43 4.677 15.237 -7.344 1.00 1.11 C ATOM 1905 OE1 GLU B 43 4.567 14.082 -7.800 1.00 1.63 O ATOM 1906 OE2 GLU B 43 4.104 16.218 -7.859 1.00 1.73 O ATOM 0 H GLU B 43 4.353 13.453 -2.918 1.00 0.63 H new ATOM 0 HA GLU B 43 5.540 12.761 -5.346 1.00 0.67 H new ATOM 0 HB2 GLU B 43 3.934 14.606 -5.021 1.00 0.87 H new ATOM 0 HB3 GLU B 43 5.096 15.476 -4.040 1.00 0.87 H new ATOM 0 HG2 GLU B 43 5.650 16.530 -5.949 1.00 1.09 H new ATOM 0 HG3 GLU B 43 6.551 15.076 -6.330 1.00 1.09 H new ATOM 1913 N GLU B 44 7.604 14.128 -3.184 1.00 0.52 N ATOM 1914 CA GLU B 44 9.019 14.300 -2.885 1.00 0.54 C ATOM 1915 C GLU B 44 9.724 12.956 -2.945 1.00 0.53 C ATOM 1916 O GLU B 44 10.743 12.807 -3.617 1.00 0.57 O ATOM 1917 CB GLU B 44 9.193 14.916 -1.501 1.00 0.62 C ATOM 1918 CG GLU B 44 10.576 15.492 -1.257 1.00 0.91 C ATOM 1919 CD GLU B 44 11.207 14.951 0.006 1.00 1.74 C ATOM 1920 OE1 GLU B 44 10.566 15.017 1.076 1.00 2.36 O ATOM 1921 OE2 GLU B 44 12.356 14.466 -0.059 1.00 2.52 O ATOM 0 H GLU B 44 6.977 14.368 -2.416 1.00 0.52 H new ATOM 0 HA GLU B 44 9.458 14.969 -3.625 1.00 0.54 H new ATOM 0 HB2 GLU B 44 8.452 15.705 -1.369 1.00 0.62 H new ATOM 0 HB3 GLU B 44 8.988 14.156 -0.747 1.00 0.62 H new ATOM 0 HG2 GLU B 44 11.218 15.264 -2.108 1.00 0.91 H new ATOM 0 HG3 GLU B 44 10.509 16.578 -1.191 1.00 0.91 H new ATOM 1928 N LYS B 45 9.115 11.966 -2.306 1.00 0.52 N ATOM 1929 CA LYS B 45 9.618 10.602 -2.316 1.00 0.56 C ATOM 1930 C LYS B 45 9.734 10.078 -3.743 1.00 0.55 C ATOM 1931 O LYS B 45 10.592 9.257 -4.044 1.00 0.59 O ATOM 1932 CB LYS B 45 8.689 9.691 -1.508 1.00 0.61 C ATOM 1933 CG LYS B 45 9.426 8.780 -0.539 1.00 0.75 C ATOM 1934 CD LYS B 45 9.687 9.471 0.788 1.00 0.96 C ATOM 1935 CE LYS B 45 8.924 8.808 1.920 1.00 1.30 C ATOM 1936 NZ LYS B 45 8.937 9.637 3.154 1.00 1.74 N ATOM 0 H LYS B 45 8.258 12.088 -1.766 1.00 0.52 H new ATOM 0 HA LYS B 45 10.609 10.602 -1.862 1.00 0.56 H new ATOM 0 HB2 LYS B 45 7.984 10.307 -0.950 1.00 0.61 H new ATOM 0 HB3 LYS B 45 8.104 9.080 -2.195 1.00 0.61 H new ATOM 0 HG2 LYS B 45 8.840 7.877 -0.371 1.00 0.75 H new ATOM 0 HG3 LYS B 45 10.373 8.468 -0.980 1.00 0.75 H new ATOM 0 HD2 LYS B 45 10.755 9.450 1.006 1.00 0.96 H new ATOM 0 HD3 LYS B 45 9.396 10.519 0.717 1.00 0.96 H new ATOM 0 HE2 LYS B 45 7.894 8.633 1.610 1.00 1.30 H new ATOM 0 HE3 LYS B 45 9.363 7.833 2.132 1.00 1.30 H new ATOM 0 HZ1 LYS B 45 8.406 9.151 3.904 1.00 1.74 H new ATOM 0 HZ2 LYS B 45 9.919 9.783 3.464 1.00 1.74 H new ATOM 0 HZ3 LYS B 45 8.495 10.558 2.958 1.00 1.74 H new ATOM 1950 N HIS B 46 8.868 10.564 -4.617 1.00 0.52 N ATOM 1951 CA HIS B 46 8.864 10.133 -6.008 1.00 0.55 C ATOM 1952 C HIS B 46 10.006 10.775 -6.792 1.00 0.56 C ATOM 1953 O HIS B 46 10.739 10.086 -7.500 1.00 0.58 O ATOM 1954 CB HIS B 46 7.531 10.467 -6.661 1.00 0.59 C ATOM 1955 CG HIS B 46 7.208 9.615 -7.851 1.00 0.70 C ATOM 1956 ND1 HIS B 46 6.723 10.135 -9.025 1.00 0.94 N ATOM 1957 CD2 HIS B 46 7.263 8.273 -8.033 1.00 0.81 C ATOM 1958 CE1 HIS B 46 6.479 9.157 -9.873 1.00 1.07 C ATOM 1959 NE2 HIS B 46 6.800 8.014 -9.299 1.00 0.99 N ATOM 0 H HIS B 46 8.157 11.259 -4.389 1.00 0.52 H new ATOM 0 HA HIS B 46 9.009 9.053 -6.022 1.00 0.55 H new ATOM 0 HB2 HIS B 46 6.738 10.357 -5.922 1.00 0.59 H new ATOM 0 HB3 HIS B 46 7.539 11.513 -6.967 1.00 0.59 H new ATOM 0 HD2 HIS B 46 7.607 7.543 -7.315 1.00 0.81 H new ATOM 0 HE1 HIS B 46 6.083 9.272 -10.871 1.00 1.07 H new ATOM 0 HE2 HIS B 46 6.718 7.091 -9.725 1.00 0.99 H new ATOM 1968 N THR B 47 10.168 12.085 -6.648 1.00 0.59 N ATOM 1969 CA THR B 47 11.244 12.799 -7.326 1.00 0.64 C ATOM 1970 C THR B 47 12.600 12.373 -6.769 1.00 0.62 C ATOM 1971 O THR B 47 13.530 12.090 -7.525 1.00 0.65 O ATOM 1972 CB THR B 47 11.080 14.324 -7.194 1.00 0.71 C ATOM 1973 OG1 THR B 47 9.688 14.661 -7.104 1.00 0.85 O ATOM 1974 CG2 THR B 47 11.700 15.042 -8.382 1.00 0.79 C ATOM 0 H THR B 47 9.569 12.674 -6.069 1.00 0.59 H new ATOM 0 HA THR B 47 11.193 12.542 -8.384 1.00 0.64 H new ATOM 0 HB THR B 47 11.594 14.644 -6.287 1.00 0.71 H new ATOM 0 HG1 THR B 47 9.591 15.632 -7.019 1.00 0.85 H new ATOM 0 HG21 THR B 47 11.571 16.118 -8.265 1.00 0.79 H new ATOM 0 HG22 THR B 47 12.763 14.808 -8.434 1.00 0.79 H new ATOM 0 HG23 THR B 47 11.211 14.716 -9.300 1.00 0.79 H new ATOM 1982 N ARG B 48 12.658 12.210 -5.452 1.00 0.59 N ATOM 1983 CA ARG B 48 13.853 11.712 -4.781 1.00 0.61 C ATOM 1984 C ARG B 48 14.200 10.321 -5.295 1.00 0.54 C ATOM 1985 O ARG B 48 15.362 10.010 -5.558 1.00 0.56 O ATOM 1986 CB ARG B 48 13.614 11.646 -3.275 1.00 0.66 C ATOM 1987 CG ARG B 48 14.589 12.465 -2.446 1.00 0.93 C ATOM 1988 CD ARG B 48 14.753 11.857 -1.063 1.00 1.46 C ATOM 1989 NE ARG B 48 15.652 12.627 -0.205 1.00 1.67 N ATOM 1990 CZ ARG B 48 16.982 12.567 -0.262 1.00 1.70 C ATOM 1991 NH1 ARG B 48 17.585 11.896 -1.236 1.00 1.82 N ATOM 1992 NH2 ARG B 48 17.707 13.202 0.649 1.00 2.26 N ATOM 0 H ARG B 48 11.883 12.418 -4.823 1.00 0.59 H new ATOM 0 HA ARG B 48 14.679 12.391 -4.990 1.00 0.61 H new ATOM 0 HB2 ARG B 48 12.601 11.989 -3.065 1.00 0.66 H new ATOM 0 HB3 ARG B 48 13.671 10.605 -2.956 1.00 0.66 H new ATOM 0 HG2 ARG B 48 15.556 12.508 -2.948 1.00 0.93 H new ATOM 0 HG3 ARG B 48 14.229 13.490 -2.359 1.00 0.93 H new ATOM 0 HD2 ARG B 48 13.776 11.785 -0.585 1.00 1.46 H new ATOM 0 HD3 ARG B 48 15.135 10.841 -1.161 1.00 1.46 H new ATOM 0 HE ARG B 48 15.233 13.252 0.484 1.00 1.67 H new ATOM 0 HH11 ARG B 48 17.030 11.421 -1.948 1.00 1.82 H new ATOM 0 HH12 ARG B 48 18.604 11.855 -1.272 1.00 1.82 H new ATOM 0 HH21 ARG B 48 17.246 13.733 1.388 1.00 2.26 H new ATOM 0 HH22 ARG B 48 18.725 13.160 0.610 1.00 2.26 H new ATOM 2006 N PHE B 49 13.169 9.500 -5.452 1.00 0.49 N ATOM 2007 CA PHE B 49 13.331 8.147 -5.957 1.00 0.45 C ATOM 2008 C PHE B 49 13.854 8.170 -7.383 1.00 0.47 C ATOM 2009 O PHE B 49 14.810 7.473 -7.708 1.00 0.48 O ATOM 2010 CB PHE B 49 12.000 7.396 -5.902 1.00 0.48 C ATOM 2011 CG PHE B 49 12.122 5.933 -6.206 1.00 0.38 C ATOM 2012 CD1 PHE B 49 13.106 5.164 -5.606 1.00 0.83 C ATOM 2013 CD2 PHE B 49 11.251 5.326 -7.094 1.00 1.06 C ATOM 2014 CE1 PHE B 49 13.219 3.818 -5.887 1.00 0.87 C ATOM 2015 CE2 PHE B 49 11.359 3.981 -7.376 1.00 1.27 C ATOM 2016 CZ PHE B 49 12.344 3.226 -6.772 1.00 0.85 C ATOM 0 H PHE B 49 12.205 9.753 -5.234 1.00 0.49 H new ATOM 0 HA PHE B 49 14.055 7.630 -5.327 1.00 0.45 H new ATOM 0 HB2 PHE B 49 11.565 7.517 -4.910 1.00 0.48 H new ATOM 0 HB3 PHE B 49 11.307 7.849 -6.611 1.00 0.48 H new ATOM 0 HD1 PHE B 49 13.792 5.624 -4.910 1.00 0.83 H new ATOM 0 HD2 PHE B 49 10.479 5.912 -7.571 1.00 1.06 H new ATOM 0 HE1 PHE B 49 13.992 3.230 -5.414 1.00 0.87 H new ATOM 0 HE2 PHE B 49 10.673 3.518 -8.070 1.00 1.27 H new ATOM 0 HZ PHE B 49 12.429 2.172 -6.993 1.00 0.85 H new ATOM 2026 N LYS B 50 13.242 9.000 -8.219 1.00 0.50 N ATOM 2027 CA LYS B 50 13.645 9.130 -9.614 1.00 0.54 C ATOM 2028 C LYS B 50 15.108 9.546 -9.721 1.00 0.53 C ATOM 2029 O LYS B 50 15.864 9.003 -10.533 1.00 0.52 O ATOM 2030 CB LYS B 50 12.756 10.149 -10.324 1.00 0.63 C ATOM 2031 CG LYS B 50 11.460 9.557 -10.852 1.00 0.91 C ATOM 2032 CD LYS B 50 10.591 10.611 -11.519 1.00 1.54 C ATOM 2033 CE LYS B 50 10.424 10.338 -13.006 1.00 2.02 C ATOM 2034 NZ LYS B 50 11.708 10.472 -13.745 1.00 2.55 N ATOM 0 H LYS B 50 12.459 9.597 -7.952 1.00 0.50 H new ATOM 0 HA LYS B 50 13.530 8.159 -10.095 1.00 0.54 H new ATOM 0 HB2 LYS B 50 12.522 10.959 -9.633 1.00 0.63 H new ATOM 0 HB3 LYS B 50 13.310 10.588 -11.153 1.00 0.63 H new ATOM 0 HG2 LYS B 50 11.686 8.766 -11.567 1.00 0.91 H new ATOM 0 HG3 LYS B 50 10.909 9.097 -10.032 1.00 0.91 H new ATOM 0 HD2 LYS B 50 9.612 10.633 -11.040 1.00 1.54 H new ATOM 0 HD3 LYS B 50 11.038 11.595 -11.377 1.00 1.54 H new ATOM 0 HE2 LYS B 50 10.027 9.333 -13.148 1.00 2.02 H new ATOM 0 HE3 LYS B 50 9.692 11.031 -13.422 1.00 2.02 H new ATOM 0 HZ1 LYS B 50 11.550 10.278 -14.754 1.00 2.55 H new ATOM 0 HZ2 LYS B 50 12.074 11.439 -13.632 1.00 2.55 H new ATOM 0 HZ3 LYS B 50 12.399 9.793 -13.366 1.00 2.55 H new ATOM 2048 N ALA B 51 15.516 10.462 -8.851 1.00 0.56 N ATOM 2049 CA ALA B 51 16.900 10.906 -8.791 1.00 0.61 C ATOM 2050 C ALA B 51 17.813 9.763 -8.367 1.00 0.57 C ATOM 2051 O ALA B 51 18.871 9.542 -8.962 1.00 0.58 O ATOM 2052 CB ALA B 51 17.042 12.079 -7.833 1.00 0.71 C ATOM 0 H ALA B 51 14.902 10.914 -8.173 1.00 0.56 H new ATOM 0 HA ALA B 51 17.197 11.233 -9.787 1.00 0.61 H new ATOM 0 HB1 ALA B 51 18.084 12.398 -7.800 1.00 0.71 H new ATOM 0 HB2 ALA B 51 16.420 12.906 -8.175 1.00 0.71 H new ATOM 0 HB3 ALA B 51 16.724 11.775 -6.836 1.00 0.71 H new ATOM 2058 N ALA B 52 17.373 9.008 -7.367 1.00 0.55 N ATOM 2059 CA ALA B 52 18.126 7.860 -6.886 1.00 0.59 C ATOM 2060 C ALA B 52 18.260 6.790 -7.969 1.00 0.51 C ATOM 2061 O ALA B 52 19.326 6.198 -8.134 1.00 0.54 O ATOM 2062 CB ALA B 52 17.465 7.285 -5.646 1.00 0.67 C ATOM 0 H ALA B 52 16.496 9.172 -6.873 1.00 0.55 H new ATOM 0 HA ALA B 52 19.130 8.196 -6.628 1.00 0.59 H new ATOM 0 HB1 ALA B 52 18.037 6.426 -5.294 1.00 0.67 H new ATOM 0 HB2 ALA B 52 17.434 8.045 -4.865 1.00 0.67 H new ATOM 0 HB3 ALA B 52 16.450 6.971 -5.887 1.00 0.67 H new ATOM 2068 N CYS B 53 17.190 6.582 -8.734 1.00 0.48 N ATOM 2069 CA CYS B 53 17.202 5.607 -9.823 1.00 0.53 C ATOM 2070 C CYS B 53 18.249 5.979 -10.864 1.00 0.50 C ATOM 2071 O CYS B 53 19.005 5.129 -11.329 1.00 0.56 O ATOM 2072 CB CYS B 53 15.830 5.520 -10.496 1.00 0.68 C ATOM 2073 SG CYS B 53 14.461 5.170 -9.375 1.00 1.15 S ATOM 0 H CYS B 53 16.304 7.075 -8.620 1.00 0.48 H new ATOM 0 HA CYS B 53 17.448 4.636 -9.393 1.00 0.53 H new ATOM 0 HB2 CYS B 53 15.631 6.462 -11.008 1.00 0.68 H new ATOM 0 HB3 CYS B 53 15.864 4.743 -11.260 1.00 0.68 H new ATOM 0 HG CYS B 53 14.454 6.044 -8.413 1.00 1.15 H new ATOM 2079 N ALA B 54 18.293 7.259 -11.213 1.00 0.51 N ATOM 2080 CA ALA B 54 19.239 7.750 -12.206 1.00 0.59 C ATOM 2081 C ALA B 54 20.674 7.606 -11.720 1.00 0.59 C ATOM 2082 O ALA B 54 21.592 7.384 -12.512 1.00 0.70 O ATOM 2083 CB ALA B 54 18.945 9.204 -12.539 1.00 0.69 C ATOM 0 H ALA B 54 17.683 7.977 -10.822 1.00 0.51 H new ATOM 0 HA ALA B 54 19.124 7.146 -13.106 1.00 0.59 H new ATOM 0 HB1 ALA B 54 19.659 9.559 -13.282 1.00 0.69 H new ATOM 0 HB2 ALA B 54 17.934 9.289 -12.938 1.00 0.69 H new ATOM 0 HB3 ALA B 54 19.031 9.809 -11.636 1.00 0.69 H new ATOM 2089 N ARG B 55 20.863 7.738 -10.415 1.00 0.55 N ATOM 2090 CA ARG B 55 22.187 7.658 -9.816 1.00 0.64 C ATOM 2091 C ARG B 55 22.704 6.220 -9.779 1.00 0.59 C ATOM 2092 O ARG B 55 23.891 5.987 -9.544 1.00 0.76 O ATOM 2093 CB ARG B 55 22.163 8.238 -8.401 1.00 0.72 C ATOM 2094 CG ARG B 55 23.150 9.375 -8.197 1.00 1.03 C ATOM 2095 CD ARG B 55 23.531 9.533 -6.732 1.00 1.37 C ATOM 2096 NE ARG B 55 22.889 10.695 -6.120 1.00 1.97 N ATOM 2097 CZ ARG B 55 23.495 11.528 -5.275 1.00 2.64 C ATOM 2098 NH1 ARG B 55 24.761 11.329 -4.919 1.00 2.89 N ATOM 2099 NH2 ARG B 55 22.825 12.557 -4.778 1.00 3.60 N ATOM 0 H ARG B 55 20.110 7.902 -9.747 1.00 0.55 H new ATOM 0 HA ARG B 55 22.865 8.243 -10.437 1.00 0.64 H new ATOM 0 HB2 ARG B 55 21.157 8.596 -8.180 1.00 0.72 H new ATOM 0 HB3 ARG B 55 22.383 7.444 -7.687 1.00 0.72 H new ATOM 0 HG2 ARG B 55 24.047 9.189 -8.788 1.00 1.03 H new ATOM 0 HG3 ARG B 55 22.714 10.305 -8.562 1.00 1.03 H new ATOM 0 HD2 ARG B 55 23.249 8.633 -6.185 1.00 1.37 H new ATOM 0 HD3 ARG B 55 24.613 9.631 -6.648 1.00 1.37 H new ATOM 0 HE ARG B 55 21.914 10.880 -6.355 1.00 1.97 H new ATOM 0 HH11 ARG B 55 25.277 10.533 -5.294 1.00 2.89 H new ATOM 0 HH12 ARG B 55 25.216 11.973 -4.271 1.00 2.89 H new ATOM 0 HH21 ARG B 55 21.852 12.708 -5.043 1.00 3.60 H new ATOM 0 HH22 ARG B 55 23.283 13.199 -4.131 1.00 3.60 H new ATOM 2113 N LYS B 56 21.808 5.255 -9.952 1.00 0.47 N ATOM 2114 CA LYS B 56 22.187 3.846 -9.889 1.00 0.52 C ATOM 2115 C LYS B 56 21.996 3.161 -11.241 1.00 0.51 C ATOM 2116 O LYS B 56 22.545 2.086 -11.482 1.00 0.60 O ATOM 2117 CB LYS B 56 21.373 3.122 -8.812 1.00 0.61 C ATOM 2118 CG LYS B 56 21.445 3.784 -7.446 1.00 0.74 C ATOM 2119 CD LYS B 56 22.563 3.199 -6.601 1.00 0.91 C ATOM 2120 CE LYS B 56 23.712 4.179 -6.446 1.00 1.62 C ATOM 2121 NZ LYS B 56 24.267 4.176 -5.068 1.00 1.85 N ATOM 0 H LYS B 56 20.818 5.420 -10.136 1.00 0.47 H new ATOM 0 HA LYS B 56 23.244 3.795 -9.629 1.00 0.52 H new ATOM 0 HB2 LYS B 56 20.331 3.073 -9.128 1.00 0.61 H new ATOM 0 HB3 LYS B 56 21.729 2.095 -8.728 1.00 0.61 H new ATOM 0 HG2 LYS B 56 21.603 4.856 -7.568 1.00 0.74 H new ATOM 0 HG3 LYS B 56 20.493 3.659 -6.929 1.00 0.74 H new ATOM 0 HD2 LYS B 56 22.176 2.932 -5.618 1.00 0.91 H new ATOM 0 HD3 LYS B 56 22.926 2.280 -7.061 1.00 0.91 H new ATOM 0 HE2 LYS B 56 24.501 3.927 -7.155 1.00 1.62 H new ATOM 0 HE3 LYS B 56 23.368 5.183 -6.696 1.00 1.62 H new ATOM 0 HZ1 LYS B 56 25.049 4.859 -5.007 1.00 1.85 H new ATOM 0 HZ2 LYS B 56 23.522 4.442 -4.393 1.00 1.85 H new ATOM 0 HZ3 LYS B 56 24.620 3.225 -4.838 1.00 1.85 H new ATOM 2135 N GLY B 57 21.182 3.767 -12.096 1.00 0.46 N ATOM 2136 CA GLY B 57 20.892 3.185 -13.391 1.00 0.51 C ATOM 2137 C GLY B 57 19.990 1.973 -13.275 1.00 0.59 C ATOM 2138 O GLY B 57 20.314 0.898 -13.782 1.00 0.75 O ATOM 0 H GLY B 57 20.716 4.656 -11.914 1.00 0.46 H new ATOM 0 HA2 GLY B 57 20.417 3.932 -14.027 1.00 0.51 H new ATOM 0 HA3 GLY B 57 21.824 2.899 -13.878 1.00 0.51 H new ATOM 2142 N THR B 58 18.914 2.118 -12.521 1.00 0.63 N ATOM 2143 CA THR B 58 18.024 1.003 -12.240 1.00 0.77 C ATOM 2144 C THR B 58 16.611 1.261 -12.750 1.00 0.62 C ATOM 2145 O THR B 58 16.116 2.388 -12.689 1.00 0.57 O ATOM 2146 CB THR B 58 17.960 0.750 -10.726 1.00 1.02 C ATOM 2147 OG1 THR B 58 19.093 1.351 -10.088 1.00 1.92 O ATOM 2148 CG2 THR B 58 17.927 -0.734 -10.414 1.00 0.92 C ATOM 0 H THR B 58 18.634 3.000 -12.091 1.00 0.63 H new ATOM 0 HA THR B 58 18.427 0.132 -12.757 1.00 0.77 H new ATOM 0 HB THR B 58 17.041 1.197 -10.347 1.00 1.02 H new ATOM 0 HG1 THR B 58 19.328 0.838 -9.287 1.00 1.92 H new ATOM 0 HG21 THR B 58 17.882 -0.878 -9.334 1.00 0.92 H new ATOM 0 HG22 THR B 58 17.049 -1.184 -10.877 1.00 0.92 H new ATOM 0 HG23 THR B 58 18.827 -1.208 -10.806 1.00 0.92 H new ATOM 2156 N SER B 59 15.943 0.196 -13.170 1.00 0.66 N ATOM 2157 CA SER B 59 14.549 0.265 -13.569 1.00 0.66 C ATOM 2158 C SER B 59 13.683 0.588 -12.355 1.00 0.62 C ATOM 2159 O SER B 59 13.927 0.052 -11.277 1.00 0.66 O ATOM 2160 CB SER B 59 14.143 -1.071 -14.180 1.00 0.78 C ATOM 2161 OG SER B 59 15.203 -2.013 -14.075 1.00 0.87 O ATOM 0 H SER B 59 16.352 -0.736 -13.243 1.00 0.66 H new ATOM 0 HA SER B 59 14.409 1.053 -14.309 1.00 0.66 H new ATOM 0 HB2 SER B 59 13.257 -1.454 -13.673 1.00 0.78 H new ATOM 0 HB3 SER B 59 13.876 -0.932 -15.228 1.00 0.78 H new ATOM 0 HG SER B 59 14.924 -2.865 -14.471 1.00 0.87 H new ATOM 2167 N ILE B 60 12.791 1.571 -12.506 1.00 0.66 N ATOM 2168 CA ILE B 60 12.006 2.113 -11.385 1.00 0.73 C ATOM 2169 C ILE B 60 11.508 1.029 -10.419 1.00 0.76 C ATOM 2170 O ILE B 60 11.687 1.152 -9.210 1.00 0.85 O ATOM 2171 CB ILE B 60 10.810 2.967 -11.886 1.00 0.85 C ATOM 2172 CG1 ILE B 60 9.882 3.336 -10.722 1.00 0.97 C ATOM 2173 CG2 ILE B 60 10.037 2.242 -12.977 1.00 1.00 C ATOM 2174 CD1 ILE B 60 9.532 4.808 -10.667 1.00 0.91 C ATOM 0 H ILE B 60 12.591 2.014 -13.403 1.00 0.66 H new ATOM 0 HA ILE B 60 12.691 2.753 -10.830 1.00 0.73 H new ATOM 0 HB ILE B 60 11.211 3.887 -12.312 1.00 0.85 H new ATOM 0 HG12 ILE B 60 8.963 2.756 -10.803 1.00 0.97 H new ATOM 0 HG13 ILE B 60 10.358 3.049 -9.784 1.00 0.97 H new ATOM 0 HG21 ILE B 60 9.205 2.864 -13.308 1.00 1.00 H new ATOM 0 HG22 ILE B 60 10.699 2.042 -13.820 1.00 1.00 H new ATOM 0 HG23 ILE B 60 9.652 1.300 -12.586 1.00 1.00 H new ATOM 0 HD11 ILE B 60 8.873 4.994 -9.819 1.00 0.91 H new ATOM 0 HD12 ILE B 60 10.444 5.395 -10.554 1.00 0.91 H new ATOM 0 HD13 ILE B 60 9.027 5.097 -11.589 1.00 0.91 H new ATOM 2186 N THR B 61 10.942 -0.049 -10.942 1.00 0.79 N ATOM 2187 CA THR B 61 10.443 -1.127 -10.096 1.00 0.85 C ATOM 2188 C THR B 61 11.582 -1.859 -9.372 1.00 0.77 C ATOM 2189 O THR B 61 11.465 -2.220 -8.193 1.00 0.75 O ATOM 2190 CB THR B 61 9.643 -2.138 -10.932 1.00 1.01 C ATOM 2191 OG1 THR B 61 8.922 -1.445 -11.960 1.00 1.12 O ATOM 2192 CG2 THR B 61 8.673 -2.921 -10.062 1.00 1.14 C ATOM 0 H THR B 61 10.816 -0.202 -11.943 1.00 0.79 H new ATOM 0 HA THR B 61 9.796 -0.672 -9.346 1.00 0.85 H new ATOM 0 HB THR B 61 10.342 -2.843 -11.382 1.00 1.01 H new ATOM 0 HG1 THR B 61 8.413 -2.090 -12.494 1.00 1.12 H new ATOM 0 HG21 THR B 61 8.120 -3.629 -10.680 1.00 1.14 H new ATOM 0 HG22 THR B 61 9.227 -3.463 -9.296 1.00 1.14 H new ATOM 0 HG23 THR B 61 7.975 -2.233 -9.585 1.00 1.14 H new ATOM 2200 N ASP B 62 12.684 -2.070 -10.078 1.00 0.74 N ATOM 2201 CA ASP B 62 13.829 -2.789 -9.526 1.00 0.73 C ATOM 2202 C ASP B 62 14.487 -2.014 -8.386 1.00 0.62 C ATOM 2203 O ASP B 62 15.002 -2.611 -7.440 1.00 0.61 O ATOM 2204 CB ASP B 62 14.857 -3.083 -10.620 1.00 0.82 C ATOM 2205 CG ASP B 62 15.718 -4.286 -10.292 1.00 1.16 C ATOM 2206 OD1 ASP B 62 15.331 -5.417 -10.650 1.00 1.68 O ATOM 2207 OD2 ASP B 62 16.796 -4.107 -9.688 1.00 1.81 O ATOM 0 H ASP B 62 12.812 -1.753 -11.039 1.00 0.74 H new ATOM 0 HA ASP B 62 13.457 -3.731 -9.122 1.00 0.73 H new ATOM 0 HB2 ASP B 62 14.340 -3.255 -11.564 1.00 0.82 H new ATOM 0 HB3 ASP B 62 15.495 -2.210 -10.760 1.00 0.82 H new ATOM 2212 N VAL B 63 14.454 -0.685 -8.456 1.00 0.60 N ATOM 2213 CA VAL B 63 15.041 0.131 -7.393 1.00 0.57 C ATOM 2214 C VAL B 63 14.175 0.093 -6.144 1.00 0.56 C ATOM 2215 O VAL B 63 14.688 0.167 -5.030 1.00 0.59 O ATOM 2216 CB VAL B 63 15.283 1.603 -7.791 1.00 0.62 C ATOM 2217 CG1 VAL B 63 16.756 1.946 -7.660 1.00 0.81 C ATOM 2218 CG2 VAL B 63 14.801 1.891 -9.195 1.00 1.01 C ATOM 0 H VAL B 63 14.036 -0.157 -9.222 1.00 0.60 H new ATOM 0 HA VAL B 63 16.017 -0.313 -7.198 1.00 0.57 H new ATOM 0 HB VAL B 63 14.706 2.229 -7.110 1.00 0.62 H new ATOM 0 HG11 VAL B 63 16.914 2.987 -7.943 1.00 0.81 H new ATOM 0 HG12 VAL B 63 17.073 1.799 -6.628 1.00 0.81 H new ATOM 0 HG13 VAL B 63 17.340 1.299 -8.315 1.00 0.81 H new ATOM 0 HG21 VAL B 63 14.989 2.937 -9.437 1.00 1.01 H new ATOM 0 HG22 VAL B 63 15.334 1.254 -9.901 1.00 1.01 H new ATOM 0 HG23 VAL B 63 13.732 1.690 -9.261 1.00 1.01 H new ATOM 2228 N VAL B 64 12.879 -0.152 -6.319 1.00 0.55 N ATOM 2229 CA VAL B 64 12.004 -0.340 -5.171 1.00 0.56 C ATOM 2230 C VAL B 64 12.388 -1.629 -4.455 1.00 0.55 C ATOM 2231 O VAL B 64 12.558 -1.649 -3.237 1.00 0.57 O ATOM 2232 CB VAL B 64 10.508 -0.385 -5.547 1.00 0.57 C ATOM 2233 CG1 VAL B 64 9.650 -0.108 -4.322 1.00 0.73 C ATOM 2234 CG2 VAL B 64 10.185 0.608 -6.650 1.00 0.67 C ATOM 0 H VAL B 64 12.420 -0.224 -7.227 1.00 0.55 H new ATOM 0 HA VAL B 64 12.139 0.524 -4.520 1.00 0.56 H new ATOM 0 HB VAL B 64 10.285 -1.385 -5.920 1.00 0.57 H new ATOM 0 HG11 VAL B 64 8.597 -0.142 -4.600 1.00 0.73 H new ATOM 0 HG12 VAL B 64 9.849 -0.862 -3.560 1.00 0.73 H new ATOM 0 HG13 VAL B 64 9.889 0.879 -3.926 1.00 0.73 H new ATOM 0 HG21 VAL B 64 9.124 0.551 -6.891 1.00 0.67 H new ATOM 0 HG22 VAL B 64 10.427 1.616 -6.314 1.00 0.67 H new ATOM 0 HG23 VAL B 64 10.772 0.370 -7.537 1.00 0.67 H new ATOM 2244 N ASN B 65 12.681 -2.657 -5.243 1.00 0.55 N ATOM 2245 CA ASN B 65 13.201 -3.909 -4.699 1.00 0.56 C ATOM 2246 C ASN B 65 14.530 -3.666 -3.977 1.00 0.56 C ATOM 2247 O ASN B 65 14.823 -4.296 -2.961 1.00 0.56 O ATOM 2248 CB ASN B 65 13.395 -4.938 -5.820 1.00 0.58 C ATOM 2249 CG ASN B 65 14.060 -6.217 -5.335 1.00 0.77 C ATOM 2250 OD1 ASN B 65 13.503 -6.953 -4.522 1.00 0.86 O ATOM 2251 ND2 ASN B 65 15.259 -6.489 -5.834 1.00 1.46 N ATOM 0 H ASN B 65 12.569 -2.650 -6.257 1.00 0.55 H new ATOM 0 HA ASN B 65 12.478 -4.300 -3.983 1.00 0.56 H new ATOM 0 HB2 ASN B 65 12.426 -5.180 -6.257 1.00 0.58 H new ATOM 0 HB3 ASN B 65 14.000 -4.497 -6.612 1.00 0.58 H new ATOM 0 HD21 ASN B 65 15.752 -7.334 -5.545 1.00 1.46 H new ATOM 0 HD22 ASN B 65 15.688 -5.853 -6.507 1.00 1.46 H new ATOM 2258 N GLN B 66 15.300 -2.703 -4.480 1.00 0.58 N ATOM 2259 CA GLN B 66 16.588 -2.345 -3.891 1.00 0.60 C ATOM 2260 C GLN B 66 16.426 -1.772 -2.483 1.00 0.58 C ATOM 2261 O GLN B 66 17.173 -2.141 -1.573 1.00 0.61 O ATOM 2262 CB GLN B 66 17.320 -1.338 -4.784 1.00 0.65 C ATOM 2263 CG GLN B 66 18.832 -1.355 -4.625 1.00 0.84 C ATOM 2264 CD GLN B 66 19.388 -2.752 -4.432 1.00 1.25 C ATOM 2265 OE1 GLN B 66 19.854 -3.100 -3.349 1.00 2.01 O ATOM 2266 NE2 GLN B 66 19.344 -3.561 -5.479 1.00 1.70 N ATOM 0 H GLN B 66 15.051 -2.152 -5.302 1.00 0.58 H new ATOM 0 HA GLN B 66 17.179 -3.258 -3.816 1.00 0.60 H new ATOM 0 HB2 GLN B 66 17.072 -1.544 -5.825 1.00 0.65 H new ATOM 0 HB3 GLN B 66 16.953 -0.336 -4.561 1.00 0.65 H new ATOM 0 HG2 GLN B 66 19.290 -0.905 -5.506 1.00 0.84 H new ATOM 0 HG3 GLN B 66 19.110 -0.737 -3.771 1.00 0.84 H new ATOM 0 HE21 GLN B 66 18.949 -3.233 -6.360 1.00 1.70 H new ATOM 0 HE22 GLN B 66 19.705 -4.512 -5.404 1.00 1.70 H new ATOM 2275 N LEU B 67 15.450 -0.883 -2.289 1.00 0.55 N ATOM 2276 CA LEU B 67 15.226 -0.307 -0.964 1.00 0.55 C ATOM 2277 C LEU B 67 14.808 -1.394 0.015 1.00 0.50 C ATOM 2278 O LEU B 67 15.312 -1.454 1.137 1.00 0.50 O ATOM 2279 CB LEU B 67 14.166 0.801 -0.964 1.00 0.57 C ATOM 2280 CG LEU B 67 13.629 1.240 -2.324 1.00 0.64 C ATOM 2281 CD1 LEU B 67 12.113 1.266 -2.298 1.00 0.97 C ATOM 2282 CD2 LEU B 67 14.165 2.612 -2.693 1.00 0.67 C ATOM 0 H LEU B 67 14.815 -0.552 -3.016 1.00 0.55 H new ATOM 0 HA LEU B 67 16.171 0.142 -0.658 1.00 0.55 H new ATOM 0 HB2 LEU B 67 13.324 0.466 -0.359 1.00 0.57 H new ATOM 0 HB3 LEU B 67 14.588 1.675 -0.467 1.00 0.57 H new ATOM 0 HG LEU B 67 13.962 0.524 -3.076 1.00 0.64 H new ATOM 0 HD11 LEU B 67 11.738 1.580 -3.272 1.00 0.97 H new ATOM 0 HD12 LEU B 67 11.736 0.269 -2.068 1.00 0.97 H new ATOM 0 HD13 LEU B 67 11.774 1.967 -1.535 1.00 0.97 H new ATOM 0 HD21 LEU B 67 13.771 2.907 -3.665 1.00 0.67 H new ATOM 0 HD22 LEU B 67 13.856 3.338 -1.941 1.00 0.67 H new ATOM 0 HD23 LEU B 67 15.254 2.577 -2.738 1.00 0.67 H new ATOM 2294 N VAL B 68 13.923 -2.284 -0.428 1.00 0.48 N ATOM 2295 CA VAL B 68 13.477 -3.389 0.415 1.00 0.45 C ATOM 2296 C VAL B 68 14.639 -4.308 0.755 1.00 0.42 C ATOM 2297 O VAL B 68 14.726 -4.819 1.866 1.00 0.40 O ATOM 2298 CB VAL B 68 12.364 -4.237 -0.241 1.00 0.46 C ATOM 2299 CG1 VAL B 68 11.610 -5.019 0.821 1.00 0.99 C ATOM 2300 CG2 VAL B 68 11.406 -3.369 -1.039 1.00 1.07 C ATOM 0 H VAL B 68 13.504 -2.262 -1.358 1.00 0.48 H new ATOM 0 HA VAL B 68 13.072 -2.930 1.317 1.00 0.45 H new ATOM 0 HB VAL B 68 12.834 -4.936 -0.932 1.00 0.46 H new ATOM 0 HG11 VAL B 68 10.828 -5.613 0.349 1.00 0.99 H new ATOM 0 HG12 VAL B 68 12.301 -5.679 1.346 1.00 0.99 H new ATOM 0 HG13 VAL B 68 11.160 -4.326 1.532 1.00 0.99 H new ATOM 0 HG21 VAL B 68 10.635 -3.996 -1.488 1.00 1.07 H new ATOM 0 HG22 VAL B 68 10.940 -2.638 -0.378 1.00 1.07 H new ATOM 0 HG23 VAL B 68 11.954 -2.850 -1.825 1.00 1.07 H new ATOM 2310 N ASP B 69 15.532 -4.507 -0.206 1.00 0.47 N ATOM 2311 CA ASP B 69 16.698 -5.363 -0.004 1.00 0.49 C ATOM 2312 C ASP B 69 17.546 -4.856 1.147 1.00 0.48 C ATOM 2313 O ASP B 69 17.856 -5.599 2.084 1.00 0.49 O ATOM 2314 CB ASP B 69 17.552 -5.426 -1.268 1.00 0.60 C ATOM 2315 CG ASP B 69 18.363 -6.707 -1.340 1.00 0.84 C ATOM 2316 OD1 ASP B 69 17.780 -7.799 -1.182 1.00 1.09 O ATOM 2317 OD2 ASP B 69 19.589 -6.630 -1.569 1.00 1.46 O ATOM 0 H ASP B 69 15.473 -4.088 -1.134 1.00 0.47 H new ATOM 0 HA ASP B 69 16.334 -6.363 0.232 1.00 0.49 H new ATOM 0 HB2 ASP B 69 16.908 -5.354 -2.145 1.00 0.60 H new ATOM 0 HB3 ASP B 69 18.224 -4.569 -1.295 1.00 0.60 H new ATOM 2322 N ASN B 70 17.859 -3.571 1.094 1.00 0.55 N ATOM 2323 CA ASN B 70 18.642 -2.923 2.137 1.00 0.61 C ATOM 2324 C ASN B 70 17.892 -2.949 3.461 1.00 0.56 C ATOM 2325 O ASN B 70 18.443 -3.331 4.492 1.00 0.60 O ATOM 2326 CB ASN B 70 18.951 -1.475 1.746 1.00 0.74 C ATOM 2327 CG ASN B 70 20.081 -1.365 0.742 1.00 1.37 C ATOM 2328 OD1 ASN B 70 21.226 -1.091 1.106 1.00 1.88 O ATOM 2329 ND2 ASN B 70 19.771 -1.565 -0.530 1.00 2.19 N ATOM 0 H ASN B 70 17.581 -2.951 0.334 1.00 0.55 H new ATOM 0 HA ASN B 70 19.578 -3.469 2.252 1.00 0.61 H new ATOM 0 HB2 ASN B 70 18.054 -1.017 1.328 1.00 0.74 H new ATOM 0 HB3 ASN B 70 19.210 -0.909 2.641 1.00 0.74 H new ATOM 0 HD21 ASN B 70 20.492 -1.494 -1.248 1.00 2.19 H new ATOM 0 HD22 ASN B 70 18.811 -1.790 -0.792 1.00 2.19 H new ATOM 2336 N TRP B 71 16.634 -2.539 3.422 1.00 0.54 N ATOM 2337 CA TRP B 71 15.795 -2.487 4.610 1.00 0.54 C ATOM 2338 C TRP B 71 15.680 -3.854 5.276 1.00 0.47 C ATOM 2339 O TRP B 71 15.868 -3.989 6.481 1.00 0.53 O ATOM 2340 CB TRP B 71 14.400 -1.981 4.231 1.00 0.57 C ATOM 2341 CG TRP B 71 13.504 -1.729 5.406 1.00 0.64 C ATOM 2342 CD1 TRP B 71 13.372 -0.562 6.091 1.00 0.81 C ATOM 2343 CD2 TRP B 71 12.605 -2.663 6.022 1.00 0.61 C ATOM 2344 NE1 TRP B 71 12.464 -0.710 7.108 1.00 0.86 N ATOM 2345 CE2 TRP B 71 11.979 -1.989 7.086 1.00 0.75 C ATOM 2346 CE3 TRP B 71 12.274 -4.002 5.782 1.00 0.53 C ATOM 2347 CZ2 TRP B 71 11.044 -2.606 7.911 1.00 0.80 C ATOM 2348 CZ3 TRP B 71 11.343 -4.612 6.599 1.00 0.62 C ATOM 2349 CH2 TRP B 71 10.737 -3.915 7.652 1.00 0.74 C ATOM 0 H TRP B 71 16.166 -2.234 2.569 1.00 0.54 H new ATOM 0 HA TRP B 71 16.260 -1.804 5.321 1.00 0.54 H new ATOM 0 HB2 TRP B 71 14.502 -1.058 3.660 1.00 0.57 H new ATOM 0 HB3 TRP B 71 13.926 -2.711 3.575 1.00 0.57 H new ATOM 0 HD1 TRP B 71 13.905 0.350 5.867 1.00 0.81 H new ATOM 0 HE1 TRP B 71 12.194 0.015 7.773 1.00 0.86 H new ATOM 0 HE3 TRP B 71 12.738 -4.547 4.973 1.00 0.53 H new ATOM 0 HZ2 TRP B 71 10.577 -2.072 8.726 1.00 0.80 H new ATOM 0 HZ3 TRP B 71 11.078 -5.644 6.423 1.00 0.62 H new ATOM 0 HH2 TRP B 71 10.012 -4.421 8.273 1.00 0.74 H new ATOM 2360 N LEU B 72 15.245 -4.835 4.503 1.00 0.42 N ATOM 2361 CA LEU B 72 14.919 -6.146 5.037 1.00 0.44 C ATOM 2362 C LEU B 72 16.116 -6.842 5.666 1.00 0.55 C ATOM 2363 O LEU B 72 15.997 -7.426 6.740 1.00 0.65 O ATOM 2364 CB LEU B 72 14.339 -7.028 3.937 1.00 0.50 C ATOM 2365 CG LEU B 72 13.198 -7.934 4.379 1.00 0.47 C ATOM 2366 CD1 LEU B 72 11.868 -7.364 3.921 1.00 0.58 C ATOM 2367 CD2 LEU B 72 13.397 -9.338 3.838 1.00 0.60 C ATOM 0 H LEU B 72 15.109 -4.746 3.496 1.00 0.42 H new ATOM 0 HA LEU B 72 14.183 -5.990 5.825 1.00 0.44 H new ATOM 0 HB2 LEU B 72 13.984 -6.389 3.128 1.00 0.50 H new ATOM 0 HB3 LEU B 72 15.138 -7.647 3.528 1.00 0.50 H new ATOM 0 HG LEU B 72 13.193 -7.986 5.468 1.00 0.47 H new ATOM 0 HD11 LEU B 72 11.060 -8.021 4.243 1.00 0.58 H new ATOM 0 HD12 LEU B 72 11.727 -6.375 4.356 1.00 0.58 H new ATOM 0 HD13 LEU B 72 11.861 -7.286 2.834 1.00 0.58 H new ATOM 0 HD21 LEU B 72 12.573 -9.973 4.163 1.00 0.60 H new ATOM 0 HD22 LEU B 72 13.424 -9.308 2.749 1.00 0.60 H new ATOM 0 HD23 LEU B 72 14.337 -9.743 4.213 1.00 0.60 H new ATOM 2379 N LYS B 73 17.215 -6.924 4.933 1.00 0.63 N ATOM 2380 CA LYS B 73 18.331 -7.750 5.371 1.00 0.83 C ATOM 2381 C LYS B 73 19.245 -7.022 6.355 1.00 0.97 C ATOM 2382 O LYS B 73 19.994 -7.660 7.094 1.00 1.13 O ATOM 2383 CB LYS B 73 19.126 -8.240 4.164 1.00 0.96 C ATOM 2384 CG LYS B 73 18.253 -8.811 3.056 1.00 0.92 C ATOM 2385 CD LYS B 73 18.926 -8.673 1.705 1.00 1.16 C ATOM 2386 CE LYS B 73 19.236 -10.025 1.088 1.00 1.41 C ATOM 2387 NZ LYS B 73 19.152 -9.980 -0.394 1.00 1.79 N ATOM 0 H LYS B 73 17.359 -6.439 4.047 1.00 0.63 H new ATOM 0 HA LYS B 73 17.913 -8.606 5.901 1.00 0.83 H new ATOM 0 HB2 LYS B 73 19.712 -7.413 3.764 1.00 0.96 H new ATOM 0 HB3 LYS B 73 19.833 -9.003 4.489 1.00 0.96 H new ATOM 0 HG2 LYS B 73 18.046 -9.862 3.257 1.00 0.92 H new ATOM 0 HG3 LYS B 73 17.293 -8.294 3.042 1.00 0.92 H new ATOM 0 HD2 LYS B 73 18.280 -8.107 1.034 1.00 1.16 H new ATOM 0 HD3 LYS B 73 19.849 -8.104 1.815 1.00 1.16 H new ATOM 0 HE2 LYS B 73 20.235 -10.342 1.387 1.00 1.41 H new ATOM 0 HE3 LYS B 73 18.538 -10.769 1.470 1.00 1.41 H new ATOM 0 HZ1 LYS B 73 19.030 -10.944 -0.764 1.00 1.79 H new ATOM 0 HZ2 LYS B 73 18.340 -9.395 -0.678 1.00 1.79 H new ATOM 0 HZ3 LYS B 73 20.026 -9.569 -0.779 1.00 1.79 H new ATOM 2401 N GLU B 74 19.215 -5.695 6.343 1.00 0.99 N ATOM 2402 CA GLU B 74 20.085 -4.919 7.221 1.00 1.22 C ATOM 2403 C GLU B 74 19.392 -4.574 8.538 1.00 1.27 C ATOM 2404 O GLU B 74 20.036 -4.534 9.590 1.00 1.50 O ATOM 2405 CB GLU B 74 20.535 -3.636 6.524 1.00 1.37 C ATOM 2406 CG GLU B 74 22.042 -3.487 6.436 1.00 1.81 C ATOM 2407 CD GLU B 74 22.559 -2.356 7.297 1.00 2.23 C ATOM 2408 OE1 GLU B 74 21.974 -1.256 7.252 1.00 2.51 O ATOM 2409 OE2 GLU B 74 23.562 -2.556 8.017 1.00 2.78 O ATOM 0 H GLU B 74 18.606 -5.138 5.743 1.00 0.99 H new ATOM 0 HA GLU B 74 20.956 -5.535 7.447 1.00 1.22 H new ATOM 0 HB2 GLU B 74 20.117 -3.614 5.518 1.00 1.37 H new ATOM 0 HB3 GLU B 74 20.125 -2.779 7.059 1.00 1.37 H new ATOM 0 HG2 GLU B 74 22.515 -4.420 6.743 1.00 1.81 H new ATOM 0 HG3 GLU B 74 22.327 -3.311 5.399 1.00 1.81 H new ATOM 2416 N ASN B 75 18.112 -4.231 8.463 1.00 1.11 N ATOM 2417 CA ASN B 75 17.373 -3.767 9.638 1.00 1.21 C ATOM 2418 C ASN B 75 16.870 -4.929 10.493 1.00 1.14 C ATOM 2419 O ASN B 75 16.747 -4.804 11.714 1.00 1.29 O ATOM 2420 CB ASN B 75 16.204 -2.863 9.207 1.00 1.28 C ATOM 2421 CG ASN B 75 14.838 -3.372 9.638 1.00 1.61 C ATOM 2422 OD1 ASN B 75 14.343 -3.028 10.708 1.00 1.88 O ATOM 2423 ND2 ASN B 75 14.210 -4.181 8.799 1.00 1.97 N ATOM 0 H ASN B 75 17.562 -4.264 7.604 1.00 1.11 H new ATOM 0 HA ASN B 75 18.061 -3.189 10.255 1.00 1.21 H new ATOM 0 HB2 ASN B 75 16.357 -1.867 9.622 1.00 1.28 H new ATOM 0 HB3 ASN B 75 16.217 -2.762 8.122 1.00 1.28 H new ATOM 0 HD21 ASN B 75 13.284 -4.540 9.033 1.00 1.97 H new ATOM 0 HD22 ASN B 75 14.652 -4.446 7.919 1.00 1.97 H new ATOM 2430 N GLU B 76 16.591 -6.059 9.862 1.00 1.01 N ATOM 2431 CA GLU B 76 16.100 -7.223 10.585 1.00 1.08 C ATOM 2432 C GLU B 76 17.261 -8.088 11.053 1.00 1.38 C ATOM 2433 O GLU B 76 18.337 -8.023 10.434 1.00 1.93 O ATOM 2434 CB GLU B 76 15.144 -8.032 9.711 1.00 1.36 C ATOM 2435 CG GLU B 76 13.713 -8.041 10.222 1.00 1.88 C ATOM 2436 CD GLU B 76 13.449 -9.173 11.194 1.00 2.20 C ATOM 2437 OE1 GLU B 76 13.376 -10.339 10.749 1.00 2.52 O ATOM 2438 OE2 GLU B 76 13.318 -8.907 12.410 1.00 2.67 O ATOM 2439 OXT GLU B 76 17.102 -8.806 12.068 1.00 1.90 O ATOM 0 H GLU B 76 16.695 -6.195 8.857 1.00 1.01 H new ATOM 0 HA GLU B 76 15.553 -6.879 11.463 1.00 1.08 H new ATOM 0 HB2 GLU B 76 15.157 -7.625 8.700 1.00 1.36 H new ATOM 0 HB3 GLU B 76 15.504 -9.059 9.647 1.00 1.36 H new ATOM 0 HG2 GLU B 76 13.499 -7.090 10.710 1.00 1.88 H new ATOM 0 HG3 GLU B 76 13.030 -8.126 9.377 1.00 1.88 H new