USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=18 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+ -165:sc= 2.26 (180deg=0.613) USER MOD Set 1.2: B 65 ASN : amide:sc= 1.04 K(o=3.3,f=-5.4) USER MOD Single : A 35 LYS NZ :NH3+ -110:sc= 0.904 (180deg=-1.95!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 40 ASN : amide:sc= -0.866 K(o=-0.87,f=-3.5!) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 47 THR OG1 : rot 45:sc= 0.569 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -32:sc= 0.0206 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.711 USER MOD Single : A 59 SER OG : rot 180:sc= 0.03 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0293 USER MOD Single : A 65 ASN : amide:sc= 0.168 X(o=0.17,f=-0.022) USER MOD Single : A 66 GLN : amide:sc= 0.915 K(o=0.92,f=-0.0058) USER MOD Single : A 70 ASN : amide:sc= 1.22 K(o=1.2,f=-0.0024) USER MOD Single : A 73 LYS NZ :NH3+ -119:sc= 1.13 (180deg=-0.633) USER MOD Single : B 33 LYS NZ :NH3+ 159:sc= -0.149 (180deg=-0.617) USER MOD Single : B 35 LYS NZ :NH3+ -150:sc= 1.33 (180deg=1.2) USER MOD Single : B 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 40 ASN : amide:sc= -0.0137 K(o=-0.014,f=-0.84) USER MOD Single : B 45 LYS NZ :NH3+ -100:sc= 1.27 (180deg=0.75) USER MOD Single : B 46 HIS : no HD1:sc=-0.00218 X(o=-0.0022,f=-0.0022) USER MOD Single : B 47 THR OG1 : rot 180:sc= 0 USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 CYS SG : rot -27:sc= -0.232 USER MOD Single : B 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 58 THR OG1 : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 93:sc= 0.151 USER MOD Single : B 61 THR OG1 : rot 180:sc= 0.138 USER MOD Single : B 66 GLN :FLIP amide:sc= -0.354 F(o=-2.6!,f=-0.35) USER MOD Single : B 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 73 LYS NZ :NH3+ -170:sc= 1.14 (180deg=1.02) USER MOD Single : B 75 ASN : amide:sc= 0.69 K(o=0.69,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 518 N ILE A 34 0.832 12.870 -4.874 1.00 0.64 N ATOM 519 CA ILE A 34 1.062 11.501 -4.443 1.00 0.59 C ATOM 520 C ILE A 34 1.291 10.618 -5.664 1.00 0.52 C ATOM 521 O ILE A 34 0.599 10.748 -6.674 1.00 0.59 O ATOM 522 CB ILE A 34 -0.129 10.959 -3.613 1.00 0.65 C ATOM 523 CG1 ILE A 34 -0.080 11.512 -2.187 1.00 1.10 C ATOM 524 CG2 ILE A 34 -0.129 9.434 -3.584 1.00 1.06 C ATOM 525 CD1 ILE A 34 -1.191 11.002 -1.294 1.00 1.67 C ATOM 0 HA ILE A 34 1.945 11.487 -3.804 1.00 0.59 H new ATOM 0 HB ILE A 34 -1.051 11.291 -4.091 1.00 0.65 H new ATOM 0 HG12 ILE A 34 0.880 11.253 -1.740 1.00 1.10 H new ATOM 0 HG13 ILE A 34 -0.130 12.600 -2.228 1.00 1.10 H new ATOM 0 HG21 ILE A 34 -0.975 9.081 -2.995 1.00 1.06 H new ATOM 0 HG22 ILE A 34 -0.210 9.051 -4.601 1.00 1.06 H new ATOM 0 HG23 ILE A 34 0.799 9.079 -3.135 1.00 1.06 H new ATOM 0 HD11 ILE A 34 -1.089 11.438 -0.300 1.00 1.67 H new ATOM 0 HD12 ILE A 34 -2.156 11.284 -1.716 1.00 1.67 H new ATOM 0 HD13 ILE A 34 -1.130 9.916 -1.221 1.00 1.67 H new ATOM 537 N LYS A 35 2.327 9.807 -5.603 1.00 0.50 N ATOM 538 CA LYS A 35 2.713 8.954 -6.712 1.00 0.49 C ATOM 539 C LYS A 35 2.474 7.493 -6.351 1.00 0.44 C ATOM 540 O LYS A 35 2.618 7.107 -5.192 1.00 0.47 O ATOM 541 CB LYS A 35 4.186 9.193 -7.062 1.00 0.59 C ATOM 542 CG LYS A 35 4.695 10.570 -6.652 1.00 0.92 C ATOM 543 CD LYS A 35 4.850 11.499 -7.848 1.00 1.10 C ATOM 544 CE LYS A 35 3.511 11.820 -8.498 1.00 1.08 C ATOM 545 NZ LYS A 35 3.571 13.072 -9.297 1.00 1.27 N ATOM 0 H LYS A 35 2.927 9.719 -4.783 1.00 0.50 H new ATOM 0 HA LYS A 35 2.106 9.197 -7.584 1.00 0.49 H new ATOM 0 HB2 LYS A 35 4.795 8.430 -6.576 1.00 0.59 H new ATOM 0 HB3 LYS A 35 4.320 9.071 -8.137 1.00 0.59 H new ATOM 0 HG2 LYS A 35 4.004 11.014 -5.935 1.00 0.92 H new ATOM 0 HG3 LYS A 35 5.655 10.466 -6.147 1.00 0.92 H new ATOM 0 HD2 LYS A 35 5.329 12.424 -7.529 1.00 1.10 H new ATOM 0 HD3 LYS A 35 5.508 11.037 -8.583 1.00 1.10 H new ATOM 0 HE2 LYS A 35 3.212 10.992 -9.141 1.00 1.08 H new ATOM 0 HE3 LYS A 35 2.747 11.917 -7.727 1.00 1.08 H new ATOM 0 HZ1 LYS A 35 3.018 13.814 -8.822 1.00 1.27 H new ATOM 0 HZ2 LYS A 35 4.560 13.381 -9.385 1.00 1.27 H new ATOM 0 HZ3 LYS A 35 3.177 12.899 -10.244 1.00 1.27 H new ATOM 559 N ARG A 36 2.033 6.712 -7.324 1.00 0.52 N ATOM 560 CA ARG A 36 1.673 5.320 -7.085 1.00 0.53 C ATOM 561 C ARG A 36 2.745 4.375 -7.608 1.00 0.56 C ATOM 562 O ARG A 36 3.141 4.452 -8.773 1.00 0.76 O ATOM 563 CB ARG A 36 0.340 5.008 -7.763 1.00 0.64 C ATOM 564 CG ARG A 36 -0.571 4.119 -6.937 1.00 1.17 C ATOM 565 CD ARG A 36 -2.036 4.416 -7.219 1.00 1.51 C ATOM 566 NE ARG A 36 -2.370 4.250 -8.632 1.00 2.02 N ATOM 567 CZ ARG A 36 -3.500 4.680 -9.190 1.00 2.75 C ATOM 568 NH1 ARG A 36 -4.392 5.352 -8.467 1.00 2.99 N ATOM 569 NH2 ARG A 36 -3.723 4.462 -10.478 1.00 3.65 N ATOM 0 H ARG A 36 1.915 7.018 -8.290 1.00 0.52 H new ATOM 0 HA ARG A 36 1.584 5.173 -6.009 1.00 0.53 H new ATOM 0 HB2 ARG A 36 -0.177 5.944 -7.977 1.00 0.64 H new ATOM 0 HB3 ARG A 36 0.534 4.525 -8.721 1.00 0.64 H new ATOM 0 HG2 ARG A 36 -0.360 3.073 -7.159 1.00 1.17 H new ATOM 0 HG3 ARG A 36 -0.365 4.268 -5.877 1.00 1.17 H new ATOM 0 HD2 ARG A 36 -2.661 3.754 -6.619 1.00 1.51 H new ATOM 0 HD3 ARG A 36 -2.264 5.436 -6.911 1.00 1.51 H new ATOM 0 HE ARG A 36 -1.694 3.774 -9.229 1.00 2.02 H new ATOM 0 HH11 ARG A 36 -4.212 5.540 -7.481 1.00 2.99 H new ATOM 0 HH12 ARG A 36 -5.256 5.679 -8.899 1.00 2.99 H new ATOM 0 HH21 ARG A 36 -3.030 3.966 -11.039 1.00 3.65 H new ATOM 0 HH22 ARG A 36 -4.588 4.790 -10.909 1.00 3.65 H new ATOM 583 N VAL A 37 3.200 3.474 -6.747 1.00 0.49 N ATOM 584 CA VAL A 37 4.216 2.497 -7.122 1.00 0.56 C ATOM 585 C VAL A 37 3.815 1.093 -6.664 1.00 0.53 C ATOM 586 O VAL A 37 3.529 0.866 -5.486 1.00 0.55 O ATOM 587 CB VAL A 37 5.600 2.857 -6.523 1.00 0.69 C ATOM 588 CG1 VAL A 37 6.614 1.753 -6.772 1.00 1.04 C ATOM 589 CG2 VAL A 37 6.109 4.174 -7.091 1.00 1.26 C ATOM 0 H VAL A 37 2.881 3.399 -5.781 1.00 0.49 H new ATOM 0 HA VAL A 37 4.292 2.515 -8.209 1.00 0.56 H new ATOM 0 HB VAL A 37 5.473 2.966 -5.446 1.00 0.69 H new ATOM 0 HG11 VAL A 37 7.574 2.036 -6.340 1.00 1.04 H new ATOM 0 HG12 VAL A 37 6.267 0.829 -6.310 1.00 1.04 H new ATOM 0 HG13 VAL A 37 6.730 1.601 -7.845 1.00 1.04 H new ATOM 0 HG21 VAL A 37 7.081 4.406 -6.656 1.00 1.26 H new ATOM 0 HG22 VAL A 37 6.206 4.090 -8.173 1.00 1.26 H new ATOM 0 HG23 VAL A 37 5.405 4.970 -6.851 1.00 1.26 H new ATOM 599 N ASN A 38 3.820 0.155 -7.601 1.00 0.55 N ATOM 600 CA ASN A 38 3.517 -1.241 -7.312 1.00 0.56 C ATOM 601 C ASN A 38 4.794 -2.070 -7.414 1.00 0.49 C ATOM 602 O ASN A 38 5.537 -1.947 -8.388 1.00 0.57 O ATOM 603 CB ASN A 38 2.445 -1.758 -8.286 1.00 0.74 C ATOM 604 CG ASN A 38 2.577 -3.239 -8.606 1.00 0.81 C ATOM 605 OD1 ASN A 38 3.318 -3.630 -9.511 1.00 1.53 O ATOM 606 ND2 ASN A 38 1.838 -4.072 -7.886 1.00 1.00 N ATOM 0 H ASN A 38 4.034 0.339 -8.581 1.00 0.55 H new ATOM 0 HA ASN A 38 3.125 -1.329 -6.299 1.00 0.56 H new ATOM 0 HB2 ASN A 38 1.459 -1.573 -7.859 1.00 0.74 H new ATOM 0 HB3 ASN A 38 2.503 -1.188 -9.213 1.00 0.74 H new ATOM 0 HD21 ASN A 38 1.871 -5.074 -8.073 1.00 1.00 H new ATOM 0 HD22 ASN A 38 1.237 -3.711 -7.145 1.00 1.00 H new ATOM 613 N VAL A 39 5.109 -2.814 -6.363 1.00 0.41 N ATOM 614 CA VAL A 39 6.364 -3.561 -6.310 1.00 0.44 C ATOM 615 C VAL A 39 6.118 -5.061 -6.187 1.00 0.42 C ATOM 616 O VAL A 39 5.115 -5.487 -5.610 1.00 0.48 O ATOM 617 CB VAL A 39 7.258 -3.115 -5.130 1.00 0.61 C ATOM 618 CG1 VAL A 39 8.721 -3.078 -5.548 1.00 1.24 C ATOM 619 CG2 VAL A 39 6.818 -1.763 -4.582 1.00 0.63 C ATOM 0 H VAL A 39 4.518 -2.918 -5.538 1.00 0.41 H new ATOM 0 HA VAL A 39 6.877 -3.347 -7.248 1.00 0.44 H new ATOM 0 HB VAL A 39 7.147 -3.849 -4.332 1.00 0.61 H new ATOM 0 HG11 VAL A 39 9.333 -2.762 -4.703 1.00 1.24 H new ATOM 0 HG12 VAL A 39 9.033 -4.072 -5.870 1.00 1.24 H new ATOM 0 HG13 VAL A 39 8.847 -2.374 -6.371 1.00 1.24 H new ATOM 0 HG21 VAL A 39 7.466 -1.478 -3.754 1.00 0.63 H new ATOM 0 HG22 VAL A 39 6.884 -1.012 -5.370 1.00 0.63 H new ATOM 0 HG23 VAL A 39 5.788 -1.831 -4.230 1.00 0.63 H new ATOM 629 N ASN A 40 7.081 -5.848 -6.661 1.00 0.46 N ATOM 630 CA ASN A 40 7.022 -7.298 -6.548 1.00 0.51 C ATOM 631 C ASN A 40 8.151 -7.794 -5.649 1.00 0.44 C ATOM 632 O ASN A 40 9.322 -7.496 -5.884 1.00 0.56 O ATOM 633 CB ASN A 40 7.112 -7.950 -7.935 1.00 0.67 C ATOM 634 CG ASN A 40 7.278 -9.461 -7.872 1.00 1.45 C ATOM 635 OD1 ASN A 40 6.313 -10.200 -7.679 1.00 2.02 O ATOM 636 ND2 ASN A 40 8.503 -9.932 -8.051 1.00 2.13 N ATOM 0 H ASN A 40 7.917 -5.499 -7.130 1.00 0.46 H new ATOM 0 HA ASN A 40 6.068 -7.578 -6.102 1.00 0.51 H new ATOM 0 HB2 ASN A 40 6.211 -7.712 -8.501 1.00 0.67 H new ATOM 0 HB3 ASN A 40 7.953 -7.520 -8.479 1.00 0.67 H new ATOM 0 HD21 ASN A 40 8.671 -10.938 -8.031 1.00 2.13 H new ATOM 0 HD22 ASN A 40 9.279 -9.289 -8.208 1.00 2.13 H new ATOM 643 N PHE A 41 7.791 -8.519 -4.606 1.00 0.40 N ATOM 644 CA PHE A 41 8.762 -9.030 -3.653 1.00 0.45 C ATOM 645 C PHE A 41 8.929 -10.531 -3.810 1.00 0.45 C ATOM 646 O PHE A 41 8.044 -11.213 -4.311 1.00 0.56 O ATOM 647 CB PHE A 41 8.329 -8.719 -2.217 1.00 0.62 C ATOM 648 CG PHE A 41 8.106 -7.263 -1.948 1.00 0.54 C ATOM 649 CD1 PHE A 41 9.026 -6.313 -2.362 1.00 0.98 C ATOM 650 CD2 PHE A 41 6.969 -6.845 -1.280 1.00 1.14 C ATOM 651 CE1 PHE A 41 8.813 -4.974 -2.113 1.00 1.10 C ATOM 652 CE2 PHE A 41 6.752 -5.508 -1.029 1.00 1.16 C ATOM 653 CZ PHE A 41 7.673 -4.570 -1.447 1.00 0.75 C ATOM 0 H PHE A 41 6.825 -8.769 -4.395 1.00 0.40 H new ATOM 0 HA PHE A 41 9.714 -8.539 -3.855 1.00 0.45 H new ATOM 0 HB2 PHE A 41 7.409 -9.263 -2.000 1.00 0.62 H new ATOM 0 HB3 PHE A 41 9.089 -9.092 -1.531 1.00 0.62 H new ATOM 0 HD1 PHE A 41 9.918 -6.625 -2.885 1.00 0.98 H new ATOM 0 HD2 PHE A 41 6.244 -7.575 -0.952 1.00 1.14 H new ATOM 0 HE1 PHE A 41 9.537 -4.242 -2.439 1.00 1.10 H new ATOM 0 HE2 PHE A 41 5.861 -5.194 -0.505 1.00 1.16 H new ATOM 0 HZ PHE A 41 7.503 -3.521 -1.254 1.00 0.75 H new ATOM 663 N ASP A 42 10.033 -11.042 -3.301 1.00 0.45 N ATOM 664 CA ASP A 42 10.268 -12.475 -3.271 1.00 0.47 C ATOM 665 C ASP A 42 9.468 -13.087 -2.124 1.00 0.40 C ATOM 666 O ASP A 42 9.054 -12.373 -1.204 1.00 0.35 O ATOM 667 CB ASP A 42 11.765 -12.750 -3.081 1.00 0.62 C ATOM 668 CG ASP A 42 12.141 -14.204 -3.298 1.00 0.70 C ATOM 669 OD1 ASP A 42 12.034 -14.998 -2.340 1.00 1.38 O ATOM 670 OD2 ASP A 42 12.519 -14.565 -4.432 1.00 1.35 O ATOM 0 H ASP A 42 10.786 -10.483 -2.900 1.00 0.45 H new ATOM 0 HA ASP A 42 9.949 -12.923 -4.212 1.00 0.47 H new ATOM 0 HB2 ASP A 42 12.332 -12.128 -3.774 1.00 0.62 H new ATOM 0 HB3 ASP A 42 12.057 -12.453 -2.074 1.00 0.62 H new ATOM 675 N GLU A 43 9.320 -14.404 -2.132 1.00 0.46 N ATOM 676 CA GLU A 43 8.657 -15.103 -1.040 1.00 0.48 C ATOM 677 C GLU A 43 9.416 -14.871 0.267 1.00 0.40 C ATOM 678 O GLU A 43 8.813 -14.690 1.328 1.00 0.42 O ATOM 679 CB GLU A 43 8.563 -16.598 -1.337 1.00 0.65 C ATOM 680 CG GLU A 43 7.331 -17.253 -0.738 1.00 1.08 C ATOM 681 CD GLU A 43 6.162 -17.294 -1.702 1.00 1.04 C ATOM 682 OE1 GLU A 43 6.085 -18.240 -2.515 1.00 1.45 O ATOM 683 OE2 GLU A 43 5.294 -16.394 -1.630 1.00 1.28 O ATOM 0 H GLU A 43 9.650 -15.010 -2.883 1.00 0.46 H new ATOM 0 HA GLU A 43 7.646 -14.709 -0.938 1.00 0.48 H new ATOM 0 HB2 GLU A 43 8.557 -16.747 -2.417 1.00 0.65 H new ATOM 0 HB3 GLU A 43 9.454 -17.095 -0.952 1.00 0.65 H new ATOM 0 HG2 GLU A 43 7.578 -18.269 -0.430 1.00 1.08 H new ATOM 0 HG3 GLU A 43 7.037 -16.710 0.160 1.00 1.08 H new ATOM 690 N GLU A 44 10.737 -14.763 0.153 1.00 0.38 N ATOM 691 CA GLU A 44 11.594 -14.455 1.293 1.00 0.42 C ATOM 692 C GLU A 44 11.310 -13.061 1.820 1.00 0.37 C ATOM 693 O GLU A 44 11.151 -12.857 3.022 1.00 0.43 O ATOM 694 CB GLU A 44 13.058 -14.524 0.886 1.00 0.52 C ATOM 695 CG GLU A 44 13.948 -15.175 1.928 1.00 0.60 C ATOM 696 CD GLU A 44 14.185 -16.639 1.639 1.00 1.56 C ATOM 697 OE1 GLU A 44 14.812 -16.952 0.604 1.00 2.19 O ATOM 698 OE2 GLU A 44 13.762 -17.484 2.458 1.00 2.34 O ATOM 0 H GLU A 44 11.240 -14.886 -0.726 1.00 0.38 H new ATOM 0 HA GLU A 44 11.386 -15.190 2.071 1.00 0.42 H new ATOM 0 HB2 GLU A 44 13.141 -15.079 -0.048 1.00 0.52 H new ATOM 0 HB3 GLU A 44 13.420 -13.515 0.690 1.00 0.52 H new ATOM 0 HG2 GLU A 44 14.905 -14.654 1.964 1.00 0.60 H new ATOM 0 HG3 GLU A 44 13.490 -15.070 2.912 1.00 0.60 H new ATOM 705 N LYS A 45 11.288 -12.097 0.909 1.00 0.32 N ATOM 706 CA LYS A 45 11.075 -10.707 1.268 1.00 0.35 C ATOM 707 C LYS A 45 9.726 -10.521 1.941 1.00 0.30 C ATOM 708 O LYS A 45 9.553 -9.621 2.755 1.00 0.35 O ATOM 709 CB LYS A 45 11.141 -9.810 0.033 1.00 0.39 C ATOM 710 CG LYS A 45 12.547 -9.535 -0.459 1.00 0.56 C ATOM 711 CD LYS A 45 12.609 -8.230 -1.234 1.00 0.68 C ATOM 712 CE LYS A 45 13.852 -7.428 -0.891 1.00 1.04 C ATOM 713 NZ LYS A 45 14.829 -7.425 -2.009 1.00 1.09 N ATOM 0 H LYS A 45 11.416 -12.257 -0.090 1.00 0.32 H new ATOM 0 HA LYS A 45 11.867 -10.426 1.963 1.00 0.35 H new ATOM 0 HB2 LYS A 45 10.571 -10.275 -0.771 1.00 0.39 H new ATOM 0 HB3 LYS A 45 10.655 -8.861 0.260 1.00 0.39 H new ATOM 0 HG2 LYS A 45 13.230 -9.491 0.389 1.00 0.56 H new ATOM 0 HG3 LYS A 45 12.880 -10.355 -1.095 1.00 0.56 H new ATOM 0 HD2 LYS A 45 12.597 -8.441 -2.303 1.00 0.68 H new ATOM 0 HD3 LYS A 45 11.722 -7.636 -1.016 1.00 0.68 H new ATOM 0 HE2 LYS A 45 13.569 -6.403 -0.652 1.00 1.04 H new ATOM 0 HE3 LYS A 45 14.320 -7.846 0.000 1.00 1.04 H new ATOM 0 HZ1 LYS A 45 15.753 -7.096 -1.662 1.00 1.09 H new ATOM 0 HZ2 LYS A 45 14.925 -8.388 -2.389 1.00 1.09 H new ATOM 0 HZ3 LYS A 45 14.495 -6.789 -2.761 1.00 1.09 H new ATOM 727 N HIS A 46 8.763 -11.352 1.576 1.00 0.28 N ATOM 728 CA HIS A 46 7.424 -11.220 2.123 1.00 0.31 C ATOM 729 C HIS A 46 7.331 -11.821 3.515 1.00 0.32 C ATOM 730 O HIS A 46 6.716 -11.229 4.401 1.00 0.34 O ATOM 731 CB HIS A 46 6.375 -11.843 1.213 1.00 0.38 C ATOM 732 CG HIS A 46 5.067 -11.121 1.282 1.00 0.43 C ATOM 733 ND1 HIS A 46 3.946 -11.646 1.885 1.00 0.58 N ATOM 734 CD2 HIS A 46 4.714 -9.890 0.838 1.00 0.47 C ATOM 735 CE1 HIS A 46 2.960 -10.773 1.807 1.00 0.64 C ATOM 736 NE2 HIS A 46 3.399 -9.700 1.176 1.00 0.58 N ATOM 0 H HIS A 46 8.882 -12.116 0.911 1.00 0.28 H new ATOM 0 HA HIS A 46 7.219 -10.152 2.192 1.00 0.31 H new ATOM 0 HB2 HIS A 46 6.738 -11.836 0.185 1.00 0.38 H new ATOM 0 HB3 HIS A 46 6.227 -12.886 1.492 1.00 0.38 H new ATOM 0 HD2 HIS A 46 5.349 -9.190 0.316 1.00 0.47 H new ATOM 0 HE1 HIS A 46 1.962 -10.913 2.194 1.00 0.64 H new ATOM 0 HE2 HIS A 46 2.849 -8.865 0.973 1.00 0.58 H new ATOM 745 N THR A 47 7.993 -12.950 3.733 1.00 0.33 N ATOM 746 CA THR A 47 8.014 -13.550 5.056 1.00 0.40 C ATOM 747 C THR A 47 8.797 -12.656 6.009 1.00 0.39 C ATOM 748 O THR A 47 8.362 -12.392 7.130 1.00 0.43 O ATOM 749 CB THR A 47 8.627 -14.960 5.038 1.00 0.47 C ATOM 750 OG1 THR A 47 9.503 -15.107 3.912 1.00 0.72 O ATOM 751 CG2 THR A 47 7.533 -16.012 4.978 1.00 0.60 C ATOM 0 H THR A 47 8.515 -13.461 3.021 1.00 0.33 H new ATOM 0 HA THR A 47 6.983 -13.645 5.397 1.00 0.40 H new ATOM 0 HB THR A 47 9.200 -15.098 5.955 1.00 0.47 H new ATOM 0 HG1 THR A 47 10.078 -14.316 3.839 1.00 0.72 H new ATOM 0 HG21 THR A 47 7.983 -17.005 4.966 1.00 0.60 H new ATOM 0 HG22 THR A 47 6.888 -15.917 5.852 1.00 0.60 H new ATOM 0 HG23 THR A 47 6.942 -15.871 4.073 1.00 0.60 H new ATOM 759 N ARG A 48 9.870 -12.072 5.487 1.00 0.35 N ATOM 760 CA ARG A 48 10.645 -11.086 6.225 1.00 0.38 C ATOM 761 C ARG A 48 9.789 -9.862 6.518 1.00 0.34 C ATOM 762 O ARG A 48 9.744 -9.387 7.647 1.00 0.38 O ATOM 763 CB ARG A 48 11.882 -10.673 5.432 1.00 0.42 C ATOM 764 CG ARG A 48 12.995 -10.108 6.297 1.00 0.73 C ATOM 765 CD ARG A 48 13.725 -11.207 7.042 1.00 0.80 C ATOM 766 NE ARG A 48 14.599 -11.983 6.162 1.00 0.90 N ATOM 767 CZ ARG A 48 14.814 -13.291 6.294 1.00 1.43 C ATOM 768 NH1 ARG A 48 14.252 -13.967 7.290 1.00 1.83 N ATOM 769 NH2 ARG A 48 15.605 -13.914 5.438 1.00 1.87 N ATOM 0 H ARG A 48 10.223 -12.267 4.550 1.00 0.35 H new ATOM 0 HA ARG A 48 10.966 -11.534 7.166 1.00 0.38 H new ATOM 0 HB2 ARG A 48 12.260 -11.538 4.887 1.00 0.42 H new ATOM 0 HB3 ARG A 48 11.596 -9.928 4.689 1.00 0.42 H new ATOM 0 HG2 ARG A 48 13.700 -9.558 5.673 1.00 0.73 H new ATOM 0 HG3 ARG A 48 12.579 -9.397 7.010 1.00 0.73 H new ATOM 0 HD2 ARG A 48 14.317 -10.768 7.845 1.00 0.80 H new ATOM 0 HD3 ARG A 48 12.998 -11.872 7.509 1.00 0.80 H new ATOM 0 HE ARG A 48 15.072 -11.493 5.402 1.00 0.90 H new ATOM 0 HH11 ARG A 48 13.652 -13.485 7.959 1.00 1.83 H new ATOM 0 HH12 ARG A 48 14.421 -14.968 7.386 1.00 1.83 H new ATOM 0 HH21 ARG A 48 16.048 -13.393 4.681 1.00 1.87 H new ATOM 0 HH22 ARG A 48 15.773 -14.915 5.535 1.00 1.87 H new ATOM 783 N PHE A 49 9.095 -9.383 5.493 1.00 0.32 N ATOM 784 CA PHE A 49 8.207 -8.233 5.621 1.00 0.32 C ATOM 785 C PHE A 49 7.204 -8.454 6.743 1.00 0.36 C ATOM 786 O PHE A 49 7.099 -7.651 7.663 1.00 0.39 O ATOM 787 CB PHE A 49 7.452 -7.999 4.309 1.00 0.33 C ATOM 788 CG PHE A 49 7.652 -6.637 3.708 1.00 0.39 C ATOM 789 CD1 PHE A 49 8.859 -5.978 3.866 1.00 0.85 C ATOM 790 CD2 PHE A 49 6.640 -6.016 3.001 1.00 0.85 C ATOM 791 CE1 PHE A 49 9.052 -4.722 3.327 1.00 0.94 C ATOM 792 CE2 PHE A 49 6.828 -4.760 2.458 1.00 0.92 C ATOM 793 CZ PHE A 49 8.011 -4.129 2.572 1.00 0.67 C ATOM 0 H PHE A 49 9.131 -9.778 4.553 1.00 0.32 H new ATOM 0 HA PHE A 49 8.815 -7.359 5.852 1.00 0.32 H new ATOM 0 HB2 PHE A 49 7.766 -8.751 3.585 1.00 0.33 H new ATOM 0 HB3 PHE A 49 6.387 -8.151 4.485 1.00 0.33 H new ATOM 0 HD1 PHE A 49 9.658 -6.452 4.417 1.00 0.85 H new ATOM 0 HD2 PHE A 49 5.692 -6.518 2.872 1.00 0.85 H new ATOM 0 HE1 PHE A 49 9.984 -4.199 3.479 1.00 0.94 H new ATOM 0 HE2 PHE A 49 6.015 -4.278 1.935 1.00 0.92 H new ATOM 0 HZ PHE A 49 8.166 -3.175 2.090 1.00 0.67 H new ATOM 803 N LYS A 50 6.471 -9.555 6.653 1.00 0.39 N ATOM 804 CA LYS A 50 5.440 -9.886 7.628 1.00 0.45 C ATOM 805 C LYS A 50 6.011 -9.993 9.043 1.00 0.42 C ATOM 806 O LYS A 50 5.463 -9.419 9.985 1.00 0.42 O ATOM 807 CB LYS A 50 4.751 -11.196 7.242 1.00 0.54 C ATOM 808 CG LYS A 50 3.951 -11.112 5.949 1.00 0.93 C ATOM 809 CD LYS A 50 2.544 -10.587 6.192 1.00 1.47 C ATOM 810 CE LYS A 50 1.654 -11.643 6.828 1.00 1.37 C ATOM 811 NZ LYS A 50 0.862 -11.096 7.960 1.00 2.17 N ATOM 0 H LYS A 50 6.573 -10.242 5.906 1.00 0.39 H new ATOM 0 HA LYS A 50 4.710 -9.076 7.624 1.00 0.45 H new ATOM 0 HB2 LYS A 50 5.505 -11.976 7.142 1.00 0.54 H new ATOM 0 HB3 LYS A 50 4.086 -11.498 8.051 1.00 0.54 H new ATOM 0 HG2 LYS A 50 4.466 -10.460 5.244 1.00 0.93 H new ATOM 0 HG3 LYS A 50 3.897 -12.099 5.489 1.00 0.93 H new ATOM 0 HD2 LYS A 50 2.589 -9.711 6.839 1.00 1.47 H new ATOM 0 HD3 LYS A 50 2.108 -10.264 5.247 1.00 1.47 H new ATOM 0 HE2 LYS A 50 0.978 -12.048 6.075 1.00 1.37 H new ATOM 0 HE3 LYS A 50 2.269 -12.470 7.182 1.00 1.37 H new ATOM 0 HZ1 LYS A 50 0.269 -11.849 8.365 1.00 2.17 H new ATOM 0 HZ2 LYS A 50 1.506 -10.732 8.691 1.00 2.17 H new ATOM 0 HZ3 LYS A 50 0.255 -10.324 7.618 1.00 2.17 H new ATOM 825 N ALA A 51 7.089 -10.750 9.192 1.00 0.43 N ATOM 826 CA ALA A 51 7.689 -10.979 10.502 1.00 0.46 C ATOM 827 C ALA A 51 8.326 -9.711 11.069 1.00 0.44 C ATOM 828 O ALA A 51 8.107 -9.364 12.228 1.00 0.47 O ATOM 829 CB ALA A 51 8.719 -12.094 10.416 1.00 0.53 C ATOM 0 H ALA A 51 7.568 -11.217 8.422 1.00 0.43 H new ATOM 0 HA ALA A 51 6.891 -11.275 11.183 1.00 0.46 H new ATOM 0 HB1 ALA A 51 9.161 -12.257 11.399 1.00 0.53 H new ATOM 0 HB2 ALA A 51 8.235 -13.011 10.079 1.00 0.53 H new ATOM 0 HB3 ALA A 51 9.500 -11.814 9.709 1.00 0.53 H new ATOM 835 N ALA A 52 9.163 -9.058 10.270 1.00 0.46 N ATOM 836 CA ALA A 52 9.900 -7.886 10.730 1.00 0.53 C ATOM 837 C ALA A 52 8.969 -6.708 11.015 1.00 0.53 C ATOM 838 O ALA A 52 9.159 -5.986 11.996 1.00 0.65 O ATOM 839 CB ALA A 52 10.967 -7.497 9.721 1.00 0.58 C ATOM 0 H ALA A 52 9.348 -9.320 9.302 1.00 0.46 H new ATOM 0 HA ALA A 52 10.388 -8.150 11.668 1.00 0.53 H new ATOM 0 HB1 ALA A 52 11.506 -6.621 10.081 1.00 0.58 H new ATOM 0 HB2 ALA A 52 11.664 -8.325 9.592 1.00 0.58 H new ATOM 0 HB3 ALA A 52 10.497 -7.266 8.765 1.00 0.58 H new ATOM 845 N CYS A 53 7.937 -6.537 10.193 1.00 0.48 N ATOM 846 CA CYS A 53 6.983 -5.460 10.412 1.00 0.56 C ATOM 847 C CYS A 53 6.169 -5.724 11.673 1.00 0.49 C ATOM 848 O CYS A 53 5.890 -4.804 12.440 1.00 0.53 O ATOM 849 CB CYS A 53 6.056 -5.283 9.205 1.00 0.68 C ATOM 850 SG CYS A 53 4.744 -6.518 9.062 1.00 1.29 S ATOM 0 H CYS A 53 7.743 -7.123 9.381 1.00 0.48 H new ATOM 0 HA CYS A 53 7.544 -4.534 10.541 1.00 0.56 H new ATOM 0 HB2 CYS A 53 5.600 -4.295 9.258 1.00 0.68 H new ATOM 0 HB3 CYS A 53 6.658 -5.308 8.297 1.00 0.68 H new ATOM 0 HG CYS A 53 5.163 -7.653 9.537 1.00 1.29 H new ATOM 856 N ALA A 54 5.848 -6.996 11.915 1.00 0.45 N ATOM 857 CA ALA A 54 5.125 -7.385 13.114 1.00 0.52 C ATOM 858 C ALA A 54 5.944 -7.070 14.358 1.00 0.53 C ATOM 859 O ALA A 54 5.407 -6.598 15.360 1.00 0.63 O ATOM 860 CB ALA A 54 4.778 -8.866 13.072 1.00 0.63 C ATOM 0 H ALA A 54 6.080 -7.770 11.293 1.00 0.45 H new ATOM 0 HA ALA A 54 4.198 -6.813 13.155 1.00 0.52 H new ATOM 0 HB1 ALA A 54 4.237 -9.139 13.978 1.00 0.63 H new ATOM 0 HB2 ALA A 54 4.154 -9.069 12.202 1.00 0.63 H new ATOM 0 HB3 ALA A 54 5.694 -9.453 13.006 1.00 0.63 H new ATOM 866 N ARG A 55 7.253 -7.285 14.258 1.00 0.53 N ATOM 867 CA ARG A 55 8.181 -7.000 15.348 1.00 0.66 C ATOM 868 C ARG A 55 8.090 -5.540 15.778 1.00 0.65 C ATOM 869 O ARG A 55 8.019 -5.232 16.970 1.00 0.75 O ATOM 870 CB ARG A 55 9.617 -7.305 14.915 1.00 0.77 C ATOM 871 CG ARG A 55 9.959 -8.783 14.891 1.00 1.38 C ATOM 872 CD ARG A 55 11.410 -8.998 14.493 1.00 1.87 C ATOM 873 NE ARG A 55 11.641 -10.328 13.934 1.00 2.37 N ATOM 874 CZ ARG A 55 12.421 -10.569 12.882 1.00 2.79 C ATOM 875 NH1 ARG A 55 13.008 -9.572 12.236 1.00 2.91 N ATOM 876 NH2 ARG A 55 12.609 -11.812 12.472 1.00 3.58 N ATOM 0 H ARG A 55 7.699 -7.661 13.421 1.00 0.53 H new ATOM 0 HA ARG A 55 7.907 -7.635 16.191 1.00 0.66 H new ATOM 0 HB2 ARG A 55 9.781 -6.890 13.921 1.00 0.77 H new ATOM 0 HB3 ARG A 55 10.304 -6.795 15.590 1.00 0.77 H new ATOM 0 HG2 ARG A 55 9.779 -9.218 15.874 1.00 1.38 H new ATOM 0 HG3 ARG A 55 9.305 -9.300 14.189 1.00 1.38 H new ATOM 0 HD2 ARG A 55 11.699 -8.244 13.761 1.00 1.87 H new ATOM 0 HD3 ARG A 55 12.048 -8.857 15.365 1.00 1.87 H new ATOM 0 HE ARG A 55 11.176 -11.121 14.377 1.00 2.37 H new ATOM 0 HH11 ARG A 55 12.864 -8.610 12.544 1.00 2.91 H new ATOM 0 HH12 ARG A 55 13.604 -9.766 11.431 1.00 2.91 H new ATOM 0 HH21 ARG A 55 12.157 -12.584 12.961 1.00 3.58 H new ATOM 0 HH22 ARG A 55 13.206 -11.998 11.666 1.00 3.58 H new ATOM 890 N LYS A 56 8.126 -4.642 14.804 1.00 0.59 N ATOM 891 CA LYS A 56 8.120 -3.213 15.086 1.00 0.64 C ATOM 892 C LYS A 56 6.703 -2.644 15.084 1.00 0.54 C ATOM 893 O LYS A 56 6.522 -1.426 15.091 1.00 0.67 O ATOM 894 CB LYS A 56 8.986 -2.469 14.067 1.00 0.71 C ATOM 895 CG LYS A 56 10.038 -1.572 14.700 1.00 1.15 C ATOM 896 CD LYS A 56 10.569 -0.549 13.709 1.00 1.46 C ATOM 897 CE LYS A 56 9.987 0.832 13.967 1.00 2.01 C ATOM 898 NZ LYS A 56 11.023 1.800 14.416 1.00 2.32 N ATOM 0 H LYS A 56 8.160 -4.877 13.812 1.00 0.59 H new ATOM 0 HA LYS A 56 8.535 -3.071 16.084 1.00 0.64 H new ATOM 0 HB2 LYS A 56 9.481 -3.197 13.424 1.00 0.71 H new ATOM 0 HB3 LYS A 56 8.342 -1.864 13.428 1.00 0.71 H new ATOM 0 HG2 LYS A 56 9.609 -1.058 15.560 1.00 1.15 H new ATOM 0 HG3 LYS A 56 10.862 -2.182 15.071 1.00 1.15 H new ATOM 0 HD2 LYS A 56 11.656 -0.505 13.777 1.00 1.46 H new ATOM 0 HD3 LYS A 56 10.326 -0.864 12.694 1.00 1.46 H new ATOM 0 HE2 LYS A 56 9.516 1.202 13.057 1.00 2.01 H new ATOM 0 HE3 LYS A 56 9.206 0.760 14.724 1.00 2.01 H new ATOM 0 HZ1 LYS A 56 10.583 2.728 14.580 1.00 2.32 H new ATOM 0 HZ2 LYS A 56 11.456 1.461 15.299 1.00 2.32 H new ATOM 0 HZ3 LYS A 56 11.756 1.889 13.683 1.00 2.32 H new ATOM 912 N GLY A 57 5.704 -3.523 15.077 1.00 0.48 N ATOM 913 CA GLY A 57 4.313 -3.088 15.075 1.00 0.47 C ATOM 914 C GLY A 57 4.000 -2.148 13.922 1.00 0.51 C ATOM 915 O GLY A 57 3.404 -1.086 14.114 1.00 0.58 O ATOM 0 H GLY A 57 5.832 -4.535 15.073 1.00 0.48 H new ATOM 0 HA2 GLY A 57 3.663 -3.961 15.015 1.00 0.47 H new ATOM 0 HA3 GLY A 57 4.090 -2.588 16.018 1.00 0.47 H new ATOM 919 N THR A 58 4.490 -2.497 12.746 1.00 0.59 N ATOM 920 CA THR A 58 4.374 -1.647 11.576 1.00 0.73 C ATOM 921 C THR A 58 3.381 -2.217 10.561 1.00 0.56 C ATOM 922 O THR A 58 3.394 -3.414 10.267 1.00 0.53 O ATOM 923 CB THR A 58 5.752 -1.482 10.910 1.00 1.06 C ATOM 924 OG1 THR A 58 6.744 -1.237 11.916 1.00 2.01 O ATOM 925 CG2 THR A 58 5.752 -0.342 9.906 1.00 0.61 C ATOM 0 H THR A 58 4.979 -3.376 12.576 1.00 0.59 H new ATOM 0 HA THR A 58 4.002 -0.677 11.906 1.00 0.73 H new ATOM 0 HB THR A 58 5.982 -2.403 10.375 1.00 1.06 H new ATOM 0 HG1 THR A 58 7.621 -1.134 11.492 1.00 2.01 H new ATOM 0 HG21 THR A 58 6.741 -0.254 9.455 1.00 0.61 H new ATOM 0 HG22 THR A 58 5.015 -0.542 9.128 1.00 0.61 H new ATOM 0 HG23 THR A 58 5.501 0.589 10.413 1.00 0.61 H new ATOM 933 N SER A 59 2.556 -1.343 10.003 1.00 0.55 N ATOM 934 CA SER A 59 1.608 -1.732 8.972 1.00 0.50 C ATOM 935 C SER A 59 2.339 -1.960 7.655 1.00 0.44 C ATOM 936 O SER A 59 3.317 -1.274 7.366 1.00 0.43 O ATOM 937 CB SER A 59 0.541 -0.650 8.823 1.00 0.61 C ATOM 938 OG SER A 59 0.339 0.030 10.054 1.00 0.72 O ATOM 0 H SER A 59 2.525 -0.354 10.250 1.00 0.55 H new ATOM 0 HA SER A 59 1.120 -2.664 9.257 1.00 0.50 H new ATOM 0 HB2 SER A 59 0.843 0.061 8.054 1.00 0.61 H new ATOM 0 HB3 SER A 59 -0.395 -1.099 8.492 1.00 0.61 H new ATOM 0 HG SER A 59 -0.347 0.720 9.938 1.00 0.72 H new ATOM 944 N ILE A 60 1.937 -2.998 6.928 1.00 0.46 N ATOM 945 CA ILE A 60 2.634 -3.415 5.710 1.00 0.50 C ATOM 946 C ILE A 60 2.871 -2.244 4.751 1.00 0.47 C ATOM 947 O ILE A 60 3.978 -2.075 4.243 1.00 0.50 O ATOM 948 CB ILE A 60 1.879 -4.556 4.980 1.00 0.61 C ATOM 949 CG1 ILE A 60 2.502 -4.836 3.609 1.00 0.99 C ATOM 950 CG2 ILE A 60 0.401 -4.228 4.831 1.00 1.01 C ATOM 951 CD1 ILE A 60 2.975 -6.263 3.442 1.00 0.96 C ATOM 0 H ILE A 60 1.126 -3.571 7.161 1.00 0.46 H new ATOM 0 HA ILE A 60 3.606 -3.792 6.028 1.00 0.50 H new ATOM 0 HB ILE A 60 1.970 -5.454 5.590 1.00 0.61 H new ATOM 0 HG12 ILE A 60 1.770 -4.611 2.833 1.00 0.99 H new ATOM 0 HG13 ILE A 60 3.345 -4.162 3.457 1.00 0.99 H new ATOM 0 HG21 ILE A 60 -0.103 -5.046 4.316 1.00 1.01 H new ATOM 0 HG22 ILE A 60 -0.043 -4.092 5.817 1.00 1.01 H new ATOM 0 HG23 ILE A 60 0.288 -3.311 4.253 1.00 1.01 H new ATOM 0 HD11 ILE A 60 3.405 -6.390 2.448 1.00 0.96 H new ATOM 0 HD12 ILE A 60 3.730 -6.486 4.195 1.00 0.96 H new ATOM 0 HD13 ILE A 60 2.131 -6.942 3.562 1.00 0.96 H new ATOM 963 N THR A 61 1.860 -1.403 4.557 1.00 0.45 N ATOM 964 CA THR A 61 1.993 -0.245 3.681 1.00 0.45 C ATOM 965 C THR A 61 3.006 0.755 4.239 1.00 0.42 C ATOM 966 O THR A 61 3.816 1.327 3.499 1.00 0.41 O ATOM 967 CB THR A 61 0.640 0.462 3.480 1.00 0.51 C ATOM 968 OG1 THR A 61 -0.427 -0.490 3.591 1.00 0.68 O ATOM 969 CG2 THR A 61 0.580 1.145 2.120 1.00 0.77 C ATOM 0 H THR A 61 0.943 -1.501 4.993 1.00 0.45 H new ATOM 0 HA THR A 61 2.347 -0.613 2.718 1.00 0.45 H new ATOM 0 HB THR A 61 0.532 1.223 4.253 1.00 0.51 H new ATOM 0 HG1 THR A 61 -1.286 -0.035 3.464 1.00 0.68 H new ATOM 0 HG21 THR A 61 -0.385 1.637 2.002 1.00 0.77 H new ATOM 0 HG22 THR A 61 1.376 1.886 2.050 1.00 0.77 H new ATOM 0 HG23 THR A 61 0.706 0.401 1.333 1.00 0.77 H new ATOM 977 N ASP A 62 2.980 0.917 5.554 1.00 0.42 N ATOM 978 CA ASP A 62 3.894 1.816 6.242 1.00 0.42 C ATOM 979 C ASP A 62 5.331 1.337 6.098 1.00 0.36 C ATOM 980 O ASP A 62 6.245 2.138 5.912 1.00 0.35 O ATOM 981 CB ASP A 62 3.519 1.918 7.721 1.00 0.47 C ATOM 982 CG ASP A 62 3.978 3.217 8.348 1.00 0.61 C ATOM 983 OD1 ASP A 62 3.724 4.289 7.763 1.00 0.92 O ATOM 984 OD2 ASP A 62 4.607 3.171 9.422 1.00 1.06 O ATOM 0 H ASP A 62 2.328 0.432 6.171 1.00 0.42 H new ATOM 0 HA ASP A 62 3.813 2.803 5.787 1.00 0.42 H new ATOM 0 HB2 ASP A 62 2.438 1.831 7.825 1.00 0.47 H new ATOM 0 HB3 ASP A 62 3.960 1.081 8.263 1.00 0.47 H new ATOM 989 N VAL A 63 5.513 0.019 6.144 1.00 0.34 N ATOM 990 CA VAL A 63 6.832 -0.587 6.001 1.00 0.32 C ATOM 991 C VAL A 63 7.486 -0.164 4.696 1.00 0.31 C ATOM 992 O VAL A 63 8.620 0.315 4.686 1.00 0.35 O ATOM 993 CB VAL A 63 6.762 -2.126 6.028 1.00 0.36 C ATOM 994 CG1 VAL A 63 8.152 -2.730 5.952 1.00 0.68 C ATOM 995 CG2 VAL A 63 6.036 -2.613 7.265 1.00 0.66 C ATOM 0 H VAL A 63 4.757 -0.652 6.280 1.00 0.34 H new ATOM 0 HA VAL A 63 7.424 -0.239 6.848 1.00 0.32 H new ATOM 0 HB VAL A 63 6.199 -2.452 5.153 1.00 0.36 H new ATOM 0 HG11 VAL A 63 8.078 -3.817 5.973 1.00 0.68 H new ATOM 0 HG12 VAL A 63 8.635 -2.417 5.026 1.00 0.68 H new ATOM 0 HG13 VAL A 63 8.743 -2.390 6.802 1.00 0.68 H new ATOM 0 HG21 VAL A 63 6.000 -3.702 7.260 1.00 0.66 H new ATOM 0 HG22 VAL A 63 6.564 -2.271 8.155 1.00 0.66 H new ATOM 0 HG23 VAL A 63 5.021 -2.216 7.271 1.00 0.66 H new ATOM 1005 N VAL A 64 6.769 -0.357 3.594 1.00 0.29 N ATOM 1006 CA VAL A 64 7.296 -0.025 2.276 1.00 0.29 C ATOM 1007 C VAL A 64 7.654 1.452 2.189 1.00 0.31 C ATOM 1008 O VAL A 64 8.735 1.805 1.727 1.00 0.34 O ATOM 1009 CB VAL A 64 6.316 -0.375 1.138 1.00 0.31 C ATOM 1010 CG1 VAL A 64 7.079 -0.777 -0.115 1.00 0.33 C ATOM 1011 CG2 VAL A 64 5.363 -1.482 1.555 1.00 0.38 C ATOM 0 H VAL A 64 5.824 -0.741 3.587 1.00 0.29 H new ATOM 0 HA VAL A 64 8.192 -0.632 2.148 1.00 0.29 H new ATOM 0 HB VAL A 64 5.724 0.514 0.919 1.00 0.31 H new ATOM 0 HG11 VAL A 64 6.373 -1.021 -0.909 1.00 0.33 H new ATOM 0 HG12 VAL A 64 7.714 0.049 -0.435 1.00 0.33 H new ATOM 0 HG13 VAL A 64 7.698 -1.648 0.100 1.00 0.33 H new ATOM 0 HG21 VAL A 64 4.684 -1.707 0.732 1.00 0.38 H new ATOM 0 HG22 VAL A 64 5.933 -2.376 1.810 1.00 0.38 H new ATOM 0 HG23 VAL A 64 4.787 -1.159 2.422 1.00 0.38 H new ATOM 1021 N ASN A 65 6.779 2.312 2.696 1.00 0.32 N ATOM 1022 CA ASN A 65 7.053 3.748 2.689 1.00 0.35 C ATOM 1023 C ASN A 65 8.280 4.071 3.540 1.00 0.38 C ATOM 1024 O ASN A 65 9.055 4.971 3.214 1.00 0.40 O ATOM 1025 CB ASN A 65 5.846 4.536 3.197 1.00 0.40 C ATOM 1026 CG ASN A 65 5.537 5.736 2.321 1.00 0.48 C ATOM 1027 OD1 ASN A 65 6.381 6.611 2.121 1.00 0.91 O ATOM 1028 ND2 ASN A 65 4.323 5.794 1.800 1.00 0.48 N ATOM 0 H ASN A 65 5.886 2.048 3.112 1.00 0.32 H new ATOM 0 HA ASN A 65 7.254 4.042 1.659 1.00 0.35 H new ATOM 0 HB2 ASN A 65 4.976 3.881 3.234 1.00 0.40 H new ATOM 0 HB3 ASN A 65 6.036 4.871 4.217 1.00 0.40 H new ATOM 0 HD21 ASN A 65 4.058 6.583 1.210 1.00 0.48 H new ATOM 0 HD22 ASN A 65 3.651 5.050 1.988 1.00 0.48 H new ATOM 1035 N GLN A 66 8.465 3.309 4.614 1.00 0.39 N ATOM 1036 CA GLN A 66 9.597 3.500 5.513 1.00 0.42 C ATOM 1037 C GLN A 66 10.923 3.231 4.806 1.00 0.40 C ATOM 1038 O GLN A 66 11.857 4.023 4.912 1.00 0.44 O ATOM 1039 CB GLN A 66 9.469 2.584 6.730 1.00 0.44 C ATOM 1040 CG GLN A 66 9.461 3.329 8.056 1.00 0.87 C ATOM 1041 CD GLN A 66 8.192 3.087 8.844 1.00 1.45 C ATOM 1042 OE1 GLN A 66 8.157 2.261 9.761 1.00 2.20 O ATOM 1043 NE2 GLN A 66 7.142 3.813 8.500 1.00 1.61 N ATOM 0 H GLN A 66 7.841 2.549 4.883 1.00 0.39 H new ATOM 0 HA GLN A 66 9.587 4.540 5.838 1.00 0.42 H new ATOM 0 HB2 GLN A 66 8.550 2.005 6.643 1.00 0.44 H new ATOM 0 HB3 GLN A 66 10.295 1.873 6.727 1.00 0.44 H new ATOM 0 HG2 GLN A 66 10.320 3.017 8.650 1.00 0.87 H new ATOM 0 HG3 GLN A 66 9.573 4.397 7.871 1.00 0.87 H new ATOM 0 HE21 GLN A 66 7.215 4.485 7.736 1.00 1.61 H new ATOM 0 HE22 GLN A 66 6.259 3.702 8.999 1.00 1.61 H new ATOM 1052 N LEU A 67 11.028 2.088 4.130 1.00 0.36 N ATOM 1053 CA LEU A 67 12.278 1.717 3.472 1.00 0.35 C ATOM 1054 C LEU A 67 12.579 2.643 2.303 1.00 0.31 C ATOM 1055 O LEU A 67 13.739 2.973 2.049 1.00 0.32 O ATOM 1056 CB LEU A 67 12.257 0.266 2.991 1.00 0.38 C ATOM 1057 CG LEU A 67 10.888 -0.295 2.633 1.00 0.63 C ATOM 1058 CD1 LEU A 67 10.745 -0.425 1.126 1.00 1.04 C ATOM 1059 CD2 LEU A 67 10.686 -1.639 3.309 1.00 1.01 C ATOM 0 H LEU A 67 10.273 1.411 4.024 1.00 0.36 H new ATOM 0 HA LEU A 67 13.068 1.819 4.216 1.00 0.35 H new ATOM 0 HB2 LEU A 67 12.902 0.184 2.116 1.00 0.38 H new ATOM 0 HB3 LEU A 67 12.693 -0.361 3.769 1.00 0.38 H new ATOM 0 HG LEU A 67 10.121 0.393 2.988 1.00 0.63 H new ATOM 0 HD11 LEU A 67 9.761 -0.828 0.887 1.00 1.04 H new ATOM 0 HD12 LEU A 67 10.858 0.556 0.664 1.00 1.04 H new ATOM 0 HD13 LEU A 67 11.514 -1.097 0.744 1.00 1.04 H new ATOM 0 HD21 LEU A 67 9.704 -2.034 3.048 1.00 1.01 H new ATOM 0 HD22 LEU A 67 11.457 -2.334 2.975 1.00 1.01 H new ATOM 0 HD23 LEU A 67 10.752 -1.516 4.390 1.00 1.01 H new ATOM 1071 N VAL A 68 11.528 3.109 1.635 1.00 0.29 N ATOM 1072 CA VAL A 68 11.688 4.061 0.545 1.00 0.28 C ATOM 1073 C VAL A 68 12.320 5.338 1.074 1.00 0.30 C ATOM 1074 O VAL A 68 13.316 5.822 0.539 1.00 0.32 O ATOM 1075 CB VAL A 68 10.338 4.396 -0.125 1.00 0.28 C ATOM 1076 CG1 VAL A 68 10.503 5.495 -1.168 1.00 0.81 C ATOM 1077 CG2 VAL A 68 9.737 3.151 -0.753 1.00 0.69 C ATOM 0 H VAL A 68 10.562 2.844 1.829 1.00 0.29 H new ATOM 0 HA VAL A 68 12.332 3.604 -0.206 1.00 0.28 H new ATOM 0 HB VAL A 68 9.658 4.762 0.644 1.00 0.28 H new ATOM 0 HG11 VAL A 68 9.537 5.711 -1.624 1.00 0.81 H new ATOM 0 HG12 VAL A 68 10.888 6.396 -0.690 1.00 0.81 H new ATOM 0 HG13 VAL A 68 11.202 5.165 -1.937 1.00 0.81 H new ATOM 0 HG21 VAL A 68 8.786 3.403 -1.221 1.00 0.69 H new ATOM 0 HG22 VAL A 68 10.420 2.758 -1.506 1.00 0.69 H new ATOM 0 HG23 VAL A 68 9.574 2.397 0.017 1.00 0.69 H new ATOM 1087 N ASP A 69 11.801 5.801 2.201 1.00 0.33 N ATOM 1088 CA ASP A 69 12.353 6.957 2.889 1.00 0.39 C ATOM 1089 C ASP A 69 13.794 6.691 3.317 1.00 0.36 C ATOM 1090 O ASP A 69 14.675 7.526 3.115 1.00 0.37 O ATOM 1091 CB ASP A 69 11.505 7.291 4.114 1.00 0.50 C ATOM 1092 CG ASP A 69 12.117 8.389 4.957 1.00 0.74 C ATOM 1093 OD1 ASP A 69 11.970 9.568 4.587 1.00 1.11 O ATOM 1094 OD2 ASP A 69 12.729 8.080 5.998 1.00 1.33 O ATOM 0 H ASP A 69 10.990 5.388 2.662 1.00 0.33 H new ATOM 0 HA ASP A 69 12.343 7.803 2.202 1.00 0.39 H new ATOM 0 HB2 ASP A 69 10.510 7.596 3.791 1.00 0.50 H new ATOM 0 HB3 ASP A 69 11.382 6.395 4.723 1.00 0.50 H new ATOM 1099 N ASN A 70 13.999 5.528 3.928 1.00 0.35 N ATOM 1100 CA ASN A 70 15.307 5.126 4.443 1.00 0.37 C ATOM 1101 C ASN A 70 16.398 5.250 3.383 1.00 0.33 C ATOM 1102 O ASN A 70 17.323 6.048 3.524 1.00 0.40 O ATOM 1103 CB ASN A 70 15.257 3.672 4.928 1.00 0.44 C ATOM 1104 CG ASN A 70 15.043 3.541 6.424 1.00 0.89 C ATOM 1105 OD1 ASN A 70 16.001 3.489 7.199 1.00 0.95 O ATOM 1106 ND2 ASN A 70 13.788 3.477 6.838 1.00 1.69 N ATOM 0 H ASN A 70 13.265 4.837 4.081 1.00 0.35 H new ATOM 0 HA ASN A 70 15.547 5.795 5.269 1.00 0.37 H new ATOM 0 HB2 ASN A 70 14.454 3.151 4.407 1.00 0.44 H new ATOM 0 HB3 ASN A 70 16.188 3.175 4.657 1.00 0.44 H new ATOM 0 HD21 ASN A 70 13.583 3.381 7.833 1.00 1.69 H new ATOM 0 HD22 ASN A 70 13.025 3.524 6.163 1.00 1.69 H new ATOM 1113 N TRP A 71 16.293 4.431 2.344 1.00 0.30 N ATOM 1114 CA TRP A 71 17.309 4.368 1.301 1.00 0.36 C ATOM 1115 C TRP A 71 17.435 5.695 0.561 1.00 0.35 C ATOM 1116 O TRP A 71 18.544 6.127 0.242 1.00 0.40 O ATOM 1117 CB TRP A 71 16.982 3.238 0.319 1.00 0.42 C ATOM 1118 CG TRP A 71 18.108 2.887 -0.602 1.00 0.52 C ATOM 1119 CD1 TRP A 71 19.198 2.124 -0.304 1.00 0.63 C ATOM 1120 CD2 TRP A 71 18.250 3.271 -1.977 1.00 0.58 C ATOM 1121 NE1 TRP A 71 20.014 2.019 -1.404 1.00 0.72 N ATOM 1122 CE2 TRP A 71 19.450 2.710 -2.444 1.00 0.68 C ATOM 1123 CE3 TRP A 71 17.478 4.033 -2.857 1.00 0.62 C ATOM 1124 CZ2 TRP A 71 19.901 2.886 -3.751 1.00 0.77 C ATOM 1125 CZ3 TRP A 71 17.925 4.207 -4.152 1.00 0.73 C ATOM 1126 CH2 TRP A 71 19.123 3.635 -4.591 1.00 0.77 C ATOM 0 H TRP A 71 15.507 3.796 2.201 1.00 0.30 H new ATOM 0 HA TRP A 71 18.268 4.164 1.777 1.00 0.36 H new ATOM 0 HB2 TRP A 71 16.698 2.350 0.884 1.00 0.42 H new ATOM 0 HB3 TRP A 71 16.116 3.527 -0.276 1.00 0.42 H new ATOM 0 HD1 TRP A 71 19.391 1.669 0.656 1.00 0.63 H new ATOM 0 HE1 TRP A 71 20.897 1.509 -1.441 1.00 0.72 H new ATOM 0 HE3 TRP A 71 16.549 4.478 -2.531 1.00 0.62 H new ATOM 0 HZ2 TRP A 71 20.829 2.448 -4.088 1.00 0.77 H new ATOM 0 HZ3 TRP A 71 17.337 4.797 -4.840 1.00 0.73 H new ATOM 0 HH2 TRP A 71 19.440 3.787 -5.612 1.00 0.77 H new ATOM 1137 N LEU A 72 16.308 6.339 0.293 1.00 0.36 N ATOM 1138 CA LEU A 72 16.313 7.607 -0.425 1.00 0.42 C ATOM 1139 C LEU A 72 17.096 8.668 0.334 1.00 0.49 C ATOM 1140 O LEU A 72 18.006 9.282 -0.215 1.00 0.61 O ATOM 1141 CB LEU A 72 14.884 8.094 -0.664 1.00 0.45 C ATOM 1142 CG LEU A 72 14.453 8.172 -2.131 1.00 0.42 C ATOM 1143 CD1 LEU A 72 15.031 7.017 -2.936 1.00 1.23 C ATOM 1144 CD2 LEU A 72 12.936 8.182 -2.229 1.00 1.38 C ATOM 0 H LEU A 72 15.381 6.007 0.560 1.00 0.36 H new ATOM 0 HA LEU A 72 16.800 7.439 -1.386 1.00 0.42 H new ATOM 0 HB2 LEU A 72 14.199 7.430 -0.137 1.00 0.45 H new ATOM 0 HB3 LEU A 72 14.776 9.083 -0.218 1.00 0.45 H new ATOM 0 HG LEU A 72 14.842 9.099 -2.552 1.00 0.42 H new ATOM 0 HD11 LEU A 72 14.708 7.099 -3.974 1.00 1.23 H new ATOM 0 HD12 LEU A 72 16.120 7.051 -2.891 1.00 1.23 H new ATOM 0 HD13 LEU A 72 14.680 6.072 -2.520 1.00 1.23 H new ATOM 0 HD21 LEU A 72 12.639 8.238 -3.276 1.00 1.38 H new ATOM 0 HD22 LEU A 72 12.537 7.269 -1.787 1.00 1.38 H new ATOM 0 HD23 LEU A 72 12.543 9.046 -1.694 1.00 1.38 H new ATOM 1156 N LYS A 73 16.769 8.849 1.603 1.00 0.51 N ATOM 1157 CA LYS A 73 17.442 9.844 2.431 1.00 0.64 C ATOM 1158 C LYS A 73 18.908 9.485 2.657 1.00 0.63 C ATOM 1159 O LYS A 73 19.728 10.353 2.930 1.00 0.74 O ATOM 1160 CB LYS A 73 16.728 9.988 3.773 1.00 0.82 C ATOM 1161 CG LYS A 73 15.397 10.721 3.679 1.00 0.97 C ATOM 1162 CD LYS A 73 15.313 11.862 4.678 1.00 1.32 C ATOM 1163 CE LYS A 73 13.875 12.145 5.083 1.00 1.19 C ATOM 1164 NZ LYS A 73 13.393 11.195 6.118 1.00 1.42 N ATOM 0 H LYS A 73 16.042 8.321 2.085 1.00 0.51 H new ATOM 0 HA LYS A 73 17.405 10.795 1.900 1.00 0.64 H new ATOM 0 HB2 LYS A 73 16.559 8.997 4.193 1.00 0.82 H new ATOM 0 HB3 LYS A 73 17.379 10.521 4.466 1.00 0.82 H new ATOM 0 HG2 LYS A 73 15.267 11.111 2.669 1.00 0.97 H new ATOM 0 HG3 LYS A 73 14.582 10.020 3.858 1.00 0.97 H new ATOM 0 HD2 LYS A 73 15.899 11.616 5.563 1.00 1.32 H new ATOM 0 HD3 LYS A 73 15.753 12.760 4.244 1.00 1.32 H new ATOM 0 HE2 LYS A 73 13.799 13.164 5.462 1.00 1.19 H new ATOM 0 HE3 LYS A 73 13.232 12.082 4.205 1.00 1.19 H new ATOM 0 HZ1 LYS A 73 12.581 10.661 5.748 1.00 1.42 H new ATOM 0 HZ2 LYS A 73 14.157 10.535 6.366 1.00 1.42 H new ATOM 0 HZ3 LYS A 73 13.103 11.723 6.966 1.00 1.42 H new ATOM 1178 N GLU A 74 19.223 8.199 2.575 1.00 0.60 N ATOM 1179 CA GLU A 74 20.589 7.736 2.792 1.00 0.77 C ATOM 1180 C GLU A 74 21.475 8.042 1.584 1.00 0.85 C ATOM 1181 O GLU A 74 22.603 8.511 1.735 1.00 1.00 O ATOM 1182 CB GLU A 74 20.602 6.232 3.073 1.00 0.93 C ATOM 1183 CG GLU A 74 20.169 5.874 4.482 1.00 1.00 C ATOM 1184 CD GLU A 74 21.331 5.506 5.372 1.00 1.39 C ATOM 1185 OE1 GLU A 74 21.955 4.450 5.136 1.00 2.41 O ATOM 1186 OE2 GLU A 74 21.637 6.279 6.307 1.00 1.30 O ATOM 0 H GLU A 74 18.554 7.459 2.361 1.00 0.60 H new ATOM 0 HA GLU A 74 20.988 8.268 3.656 1.00 0.77 H new ATOM 0 HB2 GLU A 74 19.944 5.732 2.362 1.00 0.93 H new ATOM 0 HB3 GLU A 74 21.608 5.848 2.902 1.00 0.93 H new ATOM 0 HG2 GLU A 74 19.635 6.718 4.919 1.00 1.00 H new ATOM 0 HG3 GLU A 74 19.469 5.040 4.442 1.00 1.00 H new ATOM 1719 N LYS B 33 6.843 -17.764 -5.240 1.00 1.35 N ATOM 1720 CA LYS B 33 8.049 -16.999 -4.916 1.00 0.80 C ATOM 1721 C LYS B 33 7.945 -15.541 -5.356 1.00 0.59 C ATOM 1722 O LYS B 33 8.947 -14.824 -5.385 1.00 0.58 O ATOM 1723 CB LYS B 33 9.276 -17.656 -5.550 1.00 1.23 C ATOM 1724 CG LYS B 33 10.531 -17.575 -4.695 1.00 2.23 C ATOM 1725 CD LYS B 33 11.719 -18.225 -5.388 1.00 3.13 C ATOM 1726 CE LYS B 33 12.902 -18.385 -4.447 1.00 4.15 C ATOM 1727 NZ LYS B 33 12.555 -19.184 -3.241 1.00 4.99 N ATOM 0 HA LYS B 33 8.154 -17.003 -3.831 1.00 0.80 H new ATOM 0 HB2 LYS B 33 9.052 -18.704 -5.750 1.00 1.23 H new ATOM 0 HB3 LYS B 33 9.473 -17.183 -6.512 1.00 1.23 H new ATOM 0 HG2 LYS B 33 10.760 -16.531 -4.480 1.00 2.23 H new ATOM 0 HG3 LYS B 33 10.353 -18.066 -3.738 1.00 2.23 H new ATOM 0 HD2 LYS B 33 11.426 -19.202 -5.773 1.00 3.13 H new ATOM 0 HD3 LYS B 33 12.015 -17.621 -6.245 1.00 3.13 H new ATOM 0 HE2 LYS B 33 13.723 -18.868 -4.977 1.00 4.15 H new ATOM 0 HE3 LYS B 33 13.256 -17.401 -4.140 1.00 4.15 H new ATOM 0 HZ1 LYS B 33 13.424 -19.569 -2.818 1.00 4.99 H new ATOM 0 HZ2 LYS B 33 12.072 -18.576 -2.549 1.00 4.99 H new ATOM 0 HZ3 LYS B 33 11.926 -19.967 -3.512 1.00 4.99 H new ATOM 1741 N ILE B 34 6.737 -15.087 -5.643 1.00 0.67 N ATOM 1742 CA ILE B 34 6.527 -13.701 -6.032 1.00 0.59 C ATOM 1743 C ILE B 34 5.342 -13.101 -5.293 1.00 0.57 C ATOM 1744 O ILE B 34 4.280 -13.708 -5.197 1.00 0.68 O ATOM 1745 CB ILE B 34 6.315 -13.546 -7.553 1.00 0.78 C ATOM 1746 CG1 ILE B 34 5.383 -14.637 -8.091 1.00 1.38 C ATOM 1747 CG2 ILE B 34 7.655 -13.581 -8.276 1.00 1.45 C ATOM 1748 CD1 ILE B 34 4.143 -14.091 -8.765 1.00 1.92 C ATOM 0 H ILE B 34 5.890 -15.654 -5.615 1.00 0.67 H new ATOM 0 HA ILE B 34 7.435 -13.163 -5.760 1.00 0.59 H new ATOM 0 HB ILE B 34 5.843 -12.581 -7.737 1.00 0.78 H new ATOM 0 HG12 ILE B 34 5.932 -15.255 -8.802 1.00 1.38 H new ATOM 0 HG13 ILE B 34 5.084 -15.287 -7.269 1.00 1.38 H new ATOM 0 HG21 ILE B 34 7.493 -13.471 -9.348 1.00 1.45 H new ATOM 0 HG22 ILE B 34 8.283 -12.765 -7.918 1.00 1.45 H new ATOM 0 HG23 ILE B 34 8.150 -14.532 -8.080 1.00 1.45 H new ATOM 0 HD11 ILE B 34 3.529 -14.918 -9.122 1.00 1.92 H new ATOM 0 HD12 ILE B 34 3.572 -13.497 -8.051 1.00 1.92 H new ATOM 0 HD13 ILE B 34 4.433 -13.464 -9.608 1.00 1.92 H new ATOM 1760 N LYS B 35 5.556 -11.930 -4.728 1.00 0.54 N ATOM 1761 CA LYS B 35 4.539 -11.232 -3.961 1.00 0.58 C ATOM 1762 C LYS B 35 4.465 -9.788 -4.431 1.00 0.59 C ATOM 1763 O LYS B 35 5.349 -9.337 -5.145 1.00 0.67 O ATOM 1764 CB LYS B 35 4.880 -11.297 -2.470 1.00 0.70 C ATOM 1765 CG LYS B 35 5.172 -12.709 -1.978 1.00 0.94 C ATOM 1766 CD LYS B 35 3.966 -13.326 -1.290 1.00 1.25 C ATOM 1767 CE LYS B 35 2.985 -13.901 -2.295 1.00 1.12 C ATOM 1768 NZ LYS B 35 2.883 -15.379 -2.192 1.00 1.30 N ATOM 0 H LYS B 35 6.444 -11.432 -4.787 1.00 0.54 H new ATOM 0 HA LYS B 35 3.569 -11.706 -4.113 1.00 0.58 H new ATOM 0 HB2 LYS B 35 5.747 -10.666 -2.275 1.00 0.70 H new ATOM 0 HB3 LYS B 35 4.050 -10.885 -1.897 1.00 0.70 H new ATOM 0 HG2 LYS B 35 5.469 -13.334 -2.820 1.00 0.94 H new ATOM 0 HG3 LYS B 35 6.014 -12.686 -1.286 1.00 0.94 H new ATOM 0 HD2 LYS B 35 4.296 -14.113 -0.611 1.00 1.25 H new ATOM 0 HD3 LYS B 35 3.466 -12.571 -0.683 1.00 1.25 H new ATOM 0 HE2 LYS B 35 2.002 -13.458 -2.136 1.00 1.12 H new ATOM 0 HE3 LYS B 35 3.298 -13.629 -3.303 1.00 1.12 H new ATOM 0 HZ1 LYS B 35 2.653 -15.777 -3.125 1.00 1.30 H new ATOM 0 HZ2 LYS B 35 3.790 -15.768 -1.864 1.00 1.30 H new ATOM 0 HZ3 LYS B 35 2.134 -15.629 -1.515 1.00 1.30 H new ATOM 1782 N ARG B 36 3.413 -9.074 -4.080 1.00 0.63 N ATOM 1783 CA ARG B 36 3.266 -7.704 -4.556 1.00 0.65 C ATOM 1784 C ARG B 36 2.640 -6.803 -3.501 1.00 0.63 C ATOM 1785 O ARG B 36 1.898 -7.260 -2.629 1.00 0.77 O ATOM 1786 CB ARG B 36 2.430 -7.669 -5.838 1.00 0.72 C ATOM 1787 CG ARG B 36 1.108 -8.410 -5.732 1.00 1.52 C ATOM 1788 CD ARG B 36 0.291 -8.259 -7.003 1.00 1.83 C ATOM 1789 NE ARG B 36 -0.851 -7.362 -6.821 1.00 2.61 N ATOM 1790 CZ ARG B 36 -1.275 -6.498 -7.744 1.00 3.31 C ATOM 1791 NH1 ARG B 36 -0.614 -6.360 -8.889 1.00 3.37 N ATOM 1792 NH2 ARG B 36 -2.345 -5.751 -7.506 1.00 4.33 N ATOM 0 H ARG B 36 2.659 -9.407 -3.479 1.00 0.63 H new ATOM 0 HA ARG B 36 4.266 -7.325 -4.769 1.00 0.65 H new ATOM 0 HB2 ARG B 36 2.233 -6.630 -6.103 1.00 0.72 H new ATOM 0 HB3 ARG B 36 3.013 -8.100 -6.652 1.00 0.72 H new ATOM 0 HG2 ARG B 36 1.295 -9.467 -5.540 1.00 1.52 H new ATOM 0 HG3 ARG B 36 0.540 -8.027 -4.884 1.00 1.52 H new ATOM 0 HD2 ARG B 36 0.929 -7.876 -7.800 1.00 1.83 H new ATOM 0 HD3 ARG B 36 -0.065 -9.238 -7.323 1.00 1.83 H new ATOM 0 HE ARG B 36 -1.353 -7.400 -5.934 1.00 2.61 H new ATOM 0 HH11 ARG B 36 0.222 -6.917 -9.065 1.00 3.37 H new ATOM 0 HH12 ARG B 36 -0.943 -5.698 -9.591 1.00 3.37 H new ATOM 0 HH21 ARG B 36 -2.841 -5.838 -6.619 1.00 4.33 H new ATOM 0 HH22 ARG B 36 -2.672 -5.089 -8.210 1.00 4.33 H new ATOM 1806 N VAL B 37 2.928 -5.514 -3.611 1.00 0.53 N ATOM 1807 CA VAL B 37 2.385 -4.519 -2.700 1.00 0.56 C ATOM 1808 C VAL B 37 2.105 -3.217 -3.449 1.00 0.49 C ATOM 1809 O VAL B 37 2.731 -2.930 -4.475 1.00 0.49 O ATOM 1810 CB VAL B 37 3.346 -4.256 -1.515 1.00 0.71 C ATOM 1811 CG1 VAL B 37 4.388 -3.203 -1.869 1.00 0.92 C ATOM 1812 CG2 VAL B 37 2.574 -3.846 -0.270 1.00 1.36 C ATOM 0 H VAL B 37 3.541 -5.131 -4.330 1.00 0.53 H new ATOM 0 HA VAL B 37 1.451 -4.908 -2.295 1.00 0.56 H new ATOM 0 HB VAL B 37 3.869 -5.188 -1.304 1.00 0.71 H new ATOM 0 HG11 VAL B 37 5.047 -3.042 -1.016 1.00 0.92 H new ATOM 0 HG12 VAL B 37 4.975 -3.544 -2.721 1.00 0.92 H new ATOM 0 HG13 VAL B 37 3.889 -2.268 -2.123 1.00 0.92 H new ATOM 0 HG21 VAL B 37 3.272 -3.667 0.548 1.00 1.36 H new ATOM 0 HG22 VAL B 37 2.012 -2.934 -0.474 1.00 1.36 H new ATOM 0 HG23 VAL B 37 1.884 -4.642 0.009 1.00 1.36 H new ATOM 1822 N ASN B 38 1.160 -2.443 -2.938 1.00 0.54 N ATOM 1823 CA ASN B 38 0.802 -1.164 -3.535 1.00 0.54 C ATOM 1824 C ASN B 38 1.089 -0.036 -2.559 1.00 0.52 C ATOM 1825 O ASN B 38 0.598 -0.045 -1.430 1.00 0.60 O ATOM 1826 CB ASN B 38 -0.678 -1.152 -3.915 1.00 0.66 C ATOM 1827 CG ASN B 38 -1.057 0.073 -4.724 1.00 0.92 C ATOM 1828 OD1 ASN B 38 -1.524 1.072 -4.179 1.00 1.67 O ATOM 1829 ND2 ASN B 38 -0.863 -0.001 -6.030 1.00 1.37 N ATOM 0 H ASN B 38 0.623 -2.680 -2.104 1.00 0.54 H new ATOM 0 HA ASN B 38 1.400 -1.021 -4.435 1.00 0.54 H new ATOM 0 HB2 ASN B 38 -0.910 -2.049 -4.489 1.00 0.66 H new ATOM 0 HB3 ASN B 38 -1.283 -1.187 -3.009 1.00 0.66 H new ATOM 0 HD21 ASN B 38 -1.103 0.790 -6.627 1.00 1.37 H new ATOM 0 HD22 ASN B 38 -0.473 -0.849 -6.440 1.00 1.37 H new ATOM 1836 N VAL B 39 1.923 0.907 -2.969 1.00 0.48 N ATOM 1837 CA VAL B 39 2.300 2.013 -2.099 1.00 0.49 C ATOM 1838 C VAL B 39 2.126 3.352 -2.800 1.00 0.46 C ATOM 1839 O VAL B 39 2.234 3.448 -4.026 1.00 0.48 O ATOM 1840 CB VAL B 39 3.764 1.905 -1.611 1.00 0.54 C ATOM 1841 CG1 VAL B 39 3.818 1.847 -0.092 1.00 0.77 C ATOM 1842 CG2 VAL B 39 4.470 0.701 -2.223 1.00 0.54 C ATOM 0 H VAL B 39 2.351 0.930 -3.895 1.00 0.48 H new ATOM 0 HA VAL B 39 1.635 1.954 -1.237 1.00 0.49 H new ATOM 0 HB VAL B 39 4.292 2.799 -1.943 1.00 0.54 H new ATOM 0 HG11 VAL B 39 4.856 1.771 0.233 1.00 0.77 H new ATOM 0 HG12 VAL B 39 3.373 2.752 0.323 1.00 0.77 H new ATOM 0 HG13 VAL B 39 3.264 0.977 0.259 1.00 0.77 H new ATOM 0 HG21 VAL B 39 5.496 0.657 -1.858 1.00 0.54 H new ATOM 0 HG22 VAL B 39 3.945 -0.211 -1.941 1.00 0.54 H new ATOM 0 HG23 VAL B 39 4.475 0.795 -3.309 1.00 0.54 H new ATOM 1852 N ASN B 40 1.902 4.389 -2.005 1.00 0.52 N ATOM 1853 CA ASN B 40 1.767 5.746 -2.512 1.00 0.57 C ATOM 1854 C ASN B 40 2.779 6.656 -1.823 1.00 0.56 C ATOM 1855 O ASN B 40 2.854 6.694 -0.593 1.00 0.72 O ATOM 1856 CB ASN B 40 0.346 6.274 -2.278 1.00 0.77 C ATOM 1857 CG ASN B 40 -0.645 5.779 -3.317 1.00 1.47 C ATOM 1858 OD1 ASN B 40 -0.724 6.313 -4.424 1.00 2.28 O ATOM 1859 ND2 ASN B 40 -1.412 4.754 -2.971 1.00 1.99 N ATOM 0 H ASN B 40 1.809 4.313 -0.992 1.00 0.52 H new ATOM 0 HA ASN B 40 1.959 5.737 -3.585 1.00 0.57 H new ATOM 0 HB2 ASN B 40 0.009 5.970 -1.287 1.00 0.77 H new ATOM 0 HB3 ASN B 40 0.362 7.364 -2.288 1.00 0.77 H new ATOM 0 HD21 ASN B 40 -2.095 4.383 -3.631 1.00 1.99 H new ATOM 0 HD22 ASN B 40 -1.319 4.337 -2.045 1.00 1.99 H new ATOM 1866 N PHE B 41 3.595 7.328 -2.619 1.00 0.48 N ATOM 1867 CA PHE B 41 4.656 8.184 -2.096 1.00 0.55 C ATOM 1868 C PHE B 41 4.415 9.634 -2.484 1.00 0.60 C ATOM 1869 O PHE B 41 3.584 9.922 -3.335 1.00 0.76 O ATOM 1870 CB PHE B 41 6.022 7.729 -2.623 1.00 0.66 C ATOM 1871 CG PHE B 41 6.268 6.258 -2.464 1.00 0.67 C ATOM 1872 CD1 PHE B 41 6.262 5.674 -1.209 1.00 1.04 C ATOM 1873 CD2 PHE B 41 6.502 5.458 -3.570 1.00 1.12 C ATOM 1874 CE1 PHE B 41 6.483 4.320 -1.058 1.00 1.08 C ATOM 1875 CE2 PHE B 41 6.727 4.102 -3.426 1.00 1.26 C ATOM 1876 CZ PHE B 41 6.715 3.535 -2.169 1.00 0.93 C ATOM 0 H PHE B 41 3.545 7.299 -3.637 1.00 0.48 H new ATOM 0 HA PHE B 41 4.649 8.104 -1.009 1.00 0.55 H new ATOM 0 HB2 PHE B 41 6.100 7.990 -3.678 1.00 0.66 H new ATOM 0 HB3 PHE B 41 6.805 8.278 -2.100 1.00 0.66 H new ATOM 0 HD1 PHE B 41 6.082 6.285 -0.337 1.00 1.04 H new ATOM 0 HD2 PHE B 41 6.509 5.899 -4.556 1.00 1.12 H new ATOM 0 HE1 PHE B 41 6.474 3.876 -0.073 1.00 1.08 H new ATOM 0 HE2 PHE B 41 6.912 3.488 -4.295 1.00 1.26 H new ATOM 0 HZ PHE B 41 6.887 2.475 -2.054 1.00 0.93 H new ATOM 1886 N ASP B 42 5.139 10.543 -1.855 1.00 0.56 N ATOM 1887 CA ASP B 42 5.001 11.963 -2.158 1.00 0.59 C ATOM 1888 C ASP B 42 5.885 12.357 -3.345 1.00 0.54 C ATOM 1889 O ASP B 42 6.659 11.539 -3.851 1.00 0.51 O ATOM 1890 CB ASP B 42 5.330 12.807 -0.919 1.00 0.68 C ATOM 1891 CG ASP B 42 6.717 13.415 -0.951 1.00 1.22 C ATOM 1892 OD1 ASP B 42 7.706 12.660 -0.880 1.00 2.03 O ATOM 1893 OD2 ASP B 42 6.821 14.654 -1.038 1.00 1.66 O ATOM 0 H ASP B 42 5.827 10.328 -1.133 1.00 0.56 H new ATOM 0 HA ASP B 42 3.966 12.157 -2.438 1.00 0.59 H new ATOM 0 HB2 ASP B 42 4.594 13.606 -0.828 1.00 0.68 H new ATOM 0 HB3 ASP B 42 5.236 12.184 -0.030 1.00 0.68 H new ATOM 1898 N GLU B 43 5.715 13.585 -3.825 1.00 0.63 N ATOM 1899 CA GLU B 43 6.442 14.070 -4.992 1.00 0.67 C ATOM 1900 C GLU B 43 7.948 14.114 -4.744 1.00 0.56 C ATOM 1901 O GLU B 43 8.734 13.727 -5.607 1.00 0.60 O ATOM 1902 CB GLU B 43 5.937 15.458 -5.379 1.00 0.87 C ATOM 1903 CG GLU B 43 4.447 15.492 -5.669 1.00 1.09 C ATOM 1904 CD GLU B 43 4.123 15.192 -7.117 1.00 1.11 C ATOM 1905 OE1 GLU B 43 5.041 15.222 -7.960 1.00 1.63 O ATOM 1906 OE2 GLU B 43 2.944 14.911 -7.417 1.00 1.73 O ATOM 0 H GLU B 43 5.074 14.267 -3.419 1.00 0.63 H new ATOM 0 HA GLU B 43 6.261 13.372 -5.810 1.00 0.67 H new ATOM 0 HB2 GLU B 43 6.160 16.157 -4.573 1.00 0.87 H new ATOM 0 HB3 GLU B 43 6.480 15.803 -6.259 1.00 0.87 H new ATOM 0 HG2 GLU B 43 3.941 14.768 -5.031 1.00 1.09 H new ATOM 0 HG3 GLU B 43 4.054 16.475 -5.410 1.00 1.09 H new ATOM 1913 N GLU B 44 8.344 14.534 -3.544 1.00 0.52 N ATOM 1914 CA GLU B 44 9.757 14.592 -3.181 1.00 0.54 C ATOM 1915 C GLU B 44 10.382 13.206 -3.236 1.00 0.53 C ATOM 1916 O GLU B 44 11.474 13.022 -3.781 1.00 0.57 O ATOM 1917 CB GLU B 44 9.927 15.173 -1.781 1.00 0.62 C ATOM 1918 CG GLU B 44 10.236 16.660 -1.776 1.00 0.91 C ATOM 1919 CD GLU B 44 11.714 16.946 -1.924 1.00 1.74 C ATOM 1920 OE1 GLU B 44 12.343 16.396 -2.853 1.00 2.52 O ATOM 1921 OE2 GLU B 44 12.256 17.724 -1.117 1.00 2.36 O ATOM 0 H GLU B 44 7.707 14.839 -2.808 1.00 0.52 H new ATOM 0 HA GLU B 44 10.262 15.238 -3.899 1.00 0.54 H new ATOM 0 HB2 GLU B 44 9.015 14.997 -1.210 1.00 0.62 H new ATOM 0 HB3 GLU B 44 10.730 14.641 -1.271 1.00 0.62 H new ATOM 0 HG2 GLU B 44 9.693 17.143 -2.588 1.00 0.91 H new ATOM 0 HG3 GLU B 44 9.876 17.099 -0.846 1.00 0.91 H new ATOM 1928 N LYS B 45 9.640 12.228 -2.731 1.00 0.52 N ATOM 1929 CA LYS B 45 10.065 10.839 -2.755 1.00 0.56 C ATOM 1930 C LYS B 45 10.292 10.375 -4.186 1.00 0.55 C ATOM 1931 O LYS B 45 11.146 9.536 -4.452 1.00 0.59 O ATOM 1932 CB LYS B 45 9.004 9.955 -2.090 1.00 0.61 C ATOM 1933 CG LYS B 45 9.464 9.324 -0.785 1.00 0.75 C ATOM 1934 CD LYS B 45 8.637 9.817 0.392 1.00 0.96 C ATOM 1935 CE LYS B 45 9.466 10.681 1.330 1.00 1.30 C ATOM 1936 NZ LYS B 45 9.700 12.041 0.774 1.00 1.74 N ATOM 0 H LYS B 45 8.730 12.377 -2.295 1.00 0.52 H new ATOM 0 HA LYS B 45 11.002 10.756 -2.205 1.00 0.56 H new ATOM 0 HB2 LYS B 45 8.113 10.553 -1.900 1.00 0.61 H new ATOM 0 HB3 LYS B 45 8.716 9.165 -2.783 1.00 0.61 H new ATOM 0 HG2 LYS B 45 9.387 8.239 -0.857 1.00 0.75 H new ATOM 0 HG3 LYS B 45 10.515 9.558 -0.617 1.00 0.75 H new ATOM 0 HD2 LYS B 45 7.785 10.389 0.025 1.00 0.96 H new ATOM 0 HD3 LYS B 45 8.236 8.964 0.940 1.00 0.96 H new ATOM 0 HE2 LYS B 45 8.957 10.765 2.290 1.00 1.30 H new ATOM 0 HE3 LYS B 45 10.424 10.196 1.518 1.00 1.30 H new ATOM 0 HZ1 LYS B 45 10.652 12.087 0.357 1.00 1.74 H new ATOM 0 HZ2 LYS B 45 8.991 12.243 0.040 1.00 1.74 H new ATOM 0 HZ3 LYS B 45 9.621 12.745 1.535 1.00 1.74 H new ATOM 1950 N HIS B 46 9.542 10.952 -5.109 1.00 0.52 N ATOM 1951 CA HIS B 46 9.655 10.585 -6.511 1.00 0.55 C ATOM 1952 C HIS B 46 10.806 11.321 -7.188 1.00 0.56 C ATOM 1953 O HIS B 46 11.500 10.754 -8.029 1.00 0.58 O ATOM 1954 CB HIS B 46 8.350 10.857 -7.252 1.00 0.59 C ATOM 1955 CG HIS B 46 8.163 9.974 -8.443 1.00 0.70 C ATOM 1956 ND1 HIS B 46 8.264 10.424 -9.741 1.00 0.94 N ATOM 1957 CD2 HIS B 46 7.897 8.649 -8.529 1.00 0.81 C ATOM 1958 CE1 HIS B 46 8.065 9.417 -10.570 1.00 1.07 C ATOM 1959 NE2 HIS B 46 7.843 8.330 -9.858 1.00 0.99 N ATOM 0 H HIS B 46 8.849 11.675 -4.914 1.00 0.52 H new ATOM 0 HA HIS B 46 9.864 9.516 -6.552 1.00 0.55 H new ATOM 0 HB2 HIS B 46 7.513 10.717 -6.567 1.00 0.59 H new ATOM 0 HB3 HIS B 46 8.330 11.899 -7.572 1.00 0.59 H new ATOM 0 HD2 HIS B 46 7.754 7.970 -7.701 1.00 0.81 H new ATOM 0 HE1 HIS B 46 8.081 9.474 -11.648 1.00 1.07 H new ATOM 0 HE2 HIS B 46 7.660 7.401 -10.237 1.00 0.99 H new ATOM 1968 N THR B 47 11.046 12.560 -6.777 1.00 0.59 N ATOM 1969 CA THR B 47 12.162 13.328 -7.314 1.00 0.64 C ATOM 1970 C THR B 47 13.485 12.727 -6.842 1.00 0.62 C ATOM 1971 O THR B 47 14.419 12.536 -7.630 1.00 0.65 O ATOM 1972 CB THR B 47 12.079 14.808 -6.891 1.00 0.71 C ATOM 1973 OG1 THR B 47 10.713 15.256 -6.944 1.00 0.85 O ATOM 1974 CG2 THR B 47 12.936 15.686 -7.792 1.00 0.79 C ATOM 0 H THR B 47 10.488 13.051 -6.079 1.00 0.59 H new ATOM 0 HA THR B 47 12.109 13.283 -8.402 1.00 0.64 H new ATOM 0 HB THR B 47 12.455 14.889 -5.871 1.00 0.71 H new ATOM 0 HG1 THR B 47 10.666 16.196 -6.673 1.00 0.85 H new ATOM 0 HG21 THR B 47 12.858 16.724 -7.470 1.00 0.79 H new ATOM 0 HG22 THR B 47 13.976 15.365 -7.731 1.00 0.79 H new ATOM 0 HG23 THR B 47 12.589 15.599 -8.822 1.00 0.79 H new ATOM 1982 N ARG B 48 13.508 12.314 -5.581 1.00 0.59 N ATOM 1983 CA ARG B 48 14.658 11.616 -5.020 1.00 0.61 C ATOM 1984 C ARG B 48 14.815 10.260 -5.702 1.00 0.54 C ATOM 1985 O ARG B 48 15.926 9.818 -5.997 1.00 0.56 O ATOM 1986 CB ARG B 48 14.475 11.424 -3.511 1.00 0.66 C ATOM 1987 CG ARG B 48 14.920 12.602 -2.646 1.00 0.93 C ATOM 1988 CD ARG B 48 15.134 13.876 -3.451 1.00 1.46 C ATOM 1989 NE ARG B 48 14.668 15.064 -2.735 1.00 1.67 N ATOM 1990 CZ ARG B 48 15.465 15.895 -2.067 1.00 1.70 C ATOM 1991 NH1 ARG B 48 16.779 15.702 -2.047 1.00 1.82 N ATOM 1992 NH2 ARG B 48 14.946 16.931 -1.419 1.00 2.26 N ATOM 0 H ARG B 48 12.739 12.451 -4.925 1.00 0.59 H new ATOM 0 HA ARG B 48 15.555 12.212 -5.190 1.00 0.61 H new ATOM 0 HB2 ARG B 48 13.422 11.225 -3.311 1.00 0.66 H new ATOM 0 HB3 ARG B 48 15.031 10.538 -3.204 1.00 0.66 H new ATOM 0 HG2 ARG B 48 14.170 12.785 -1.876 1.00 0.93 H new ATOM 0 HG3 ARG B 48 15.846 12.341 -2.133 1.00 0.93 H new ATOM 0 HD2 ARG B 48 16.194 13.985 -3.682 1.00 1.46 H new ATOM 0 HD3 ARG B 48 14.607 13.796 -4.402 1.00 1.46 H new ATOM 0 HE ARG B 48 13.669 15.268 -2.749 1.00 1.67 H new ATOM 0 HH11 ARG B 48 17.186 14.911 -2.547 1.00 1.82 H new ATOM 0 HH12 ARG B 48 17.381 16.345 -1.532 1.00 1.82 H new ATOM 0 HH21 ARG B 48 13.938 17.089 -1.434 1.00 2.26 H new ATOM 0 HH22 ARG B 48 15.555 17.569 -0.906 1.00 2.26 H new ATOM 2006 N PHE B 49 13.680 9.634 -5.998 1.00 0.49 N ATOM 2007 CA PHE B 49 13.652 8.346 -6.679 1.00 0.45 C ATOM 2008 C PHE B 49 14.227 8.457 -8.086 1.00 0.47 C ATOM 2009 O PHE B 49 15.023 7.621 -8.503 1.00 0.48 O ATOM 2010 CB PHE B 49 12.218 7.819 -6.754 1.00 0.48 C ATOM 2011 CG PHE B 49 12.099 6.359 -6.449 1.00 0.38 C ATOM 2012 CD1 PHE B 49 13.071 5.716 -5.703 1.00 0.83 C ATOM 2013 CD2 PHE B 49 11.012 5.633 -6.896 1.00 1.06 C ATOM 2014 CE1 PHE B 49 12.960 4.373 -5.412 1.00 0.87 C ATOM 2015 CE2 PHE B 49 10.896 4.293 -6.612 1.00 1.27 C ATOM 2016 CZ PHE B 49 11.887 3.651 -5.905 1.00 0.85 C ATOM 0 H PHE B 49 12.757 10.005 -5.773 1.00 0.49 H new ATOM 0 HA PHE B 49 14.266 7.651 -6.106 1.00 0.45 H new ATOM 0 HB2 PHE B 49 11.597 8.379 -6.055 1.00 0.48 H new ATOM 0 HB3 PHE B 49 11.823 8.006 -7.752 1.00 0.48 H new ATOM 0 HD1 PHE B 49 13.925 6.272 -5.345 1.00 0.83 H new ATOM 0 HD2 PHE B 49 10.244 6.124 -7.475 1.00 1.06 H new ATOM 0 HE1 PHE B 49 13.707 3.887 -4.802 1.00 0.87 H new ATOM 0 HE2 PHE B 49 10.027 3.744 -6.944 1.00 1.27 H new ATOM 0 HZ PHE B 49 11.828 2.586 -5.735 1.00 0.85 H new ATOM 2026 N LYS B 50 13.806 9.483 -8.816 1.00 0.50 N ATOM 2027 CA LYS B 50 14.273 9.700 -10.182 1.00 0.54 C ATOM 2028 C LYS B 50 15.787 9.896 -10.206 1.00 0.53 C ATOM 2029 O LYS B 50 16.476 9.396 -11.100 1.00 0.52 O ATOM 2030 CB LYS B 50 13.574 10.917 -10.792 1.00 0.63 C ATOM 2031 CG LYS B 50 12.919 10.641 -12.136 1.00 0.91 C ATOM 2032 CD LYS B 50 13.792 11.112 -13.287 1.00 1.54 C ATOM 2033 CE LYS B 50 13.741 12.624 -13.447 1.00 2.02 C ATOM 2034 NZ LYS B 50 14.960 13.158 -14.113 1.00 2.55 N ATOM 0 H LYS B 50 13.140 10.181 -8.484 1.00 0.50 H new ATOM 0 HA LYS B 50 14.029 8.819 -10.775 1.00 0.54 H new ATOM 0 HB2 LYS B 50 12.816 11.275 -10.096 1.00 0.63 H new ATOM 0 HB3 LYS B 50 14.302 11.720 -10.911 1.00 0.63 H new ATOM 0 HG2 LYS B 50 12.728 9.573 -12.236 1.00 0.91 H new ATOM 0 HG3 LYS B 50 11.953 11.143 -12.181 1.00 0.91 H new ATOM 0 HD2 LYS B 50 14.822 10.798 -13.115 1.00 1.54 H new ATOM 0 HD3 LYS B 50 13.464 10.637 -14.211 1.00 1.54 H new ATOM 0 HE2 LYS B 50 12.861 12.897 -14.030 1.00 2.02 H new ATOM 0 HE3 LYS B 50 13.631 13.088 -12.467 1.00 2.02 H new ATOM 0 HZ1 LYS B 50 14.883 14.191 -14.201 1.00 2.55 H new ATOM 0 HZ2 LYS B 50 15.798 12.921 -13.545 1.00 2.55 H new ATOM 0 HZ3 LYS B 50 15.052 12.736 -15.059 1.00 2.55 H new ATOM 2048 N ALA B 51 16.302 10.574 -9.189 1.00 0.56 N ATOM 2049 CA ALA B 51 17.735 10.786 -9.060 1.00 0.61 C ATOM 2050 C ALA B 51 18.447 9.468 -8.771 1.00 0.57 C ATOM 2051 O ALA B 51 19.454 9.144 -9.400 1.00 0.58 O ATOM 2052 CB ALA B 51 18.022 11.803 -7.965 1.00 0.71 C ATOM 0 H ALA B 51 15.746 10.987 -8.440 1.00 0.56 H new ATOM 0 HA ALA B 51 18.115 11.179 -10.003 1.00 0.61 H new ATOM 0 HB1 ALA B 51 19.098 11.952 -7.880 1.00 0.71 H new ATOM 0 HB2 ALA B 51 17.543 12.750 -8.214 1.00 0.71 H new ATOM 0 HB3 ALA B 51 17.630 11.437 -7.016 1.00 0.71 H new ATOM 2058 N ALA B 52 17.886 8.695 -7.847 1.00 0.55 N ATOM 2059 CA ALA B 52 18.444 7.401 -7.475 1.00 0.59 C ATOM 2060 C ALA B 52 18.397 6.413 -8.642 1.00 0.51 C ATOM 2061 O ALA B 52 19.364 5.693 -8.891 1.00 0.54 O ATOM 2062 CB ALA B 52 17.702 6.836 -6.274 1.00 0.67 C ATOM 0 H ALA B 52 17.038 8.946 -7.339 1.00 0.55 H new ATOM 0 HA ALA B 52 19.491 7.551 -7.210 1.00 0.59 H new ATOM 0 HB1 ALA B 52 18.128 5.869 -6.005 1.00 0.67 H new ATOM 0 HB2 ALA B 52 17.798 7.521 -5.432 1.00 0.67 H new ATOM 0 HB3 ALA B 52 16.648 6.712 -6.523 1.00 0.67 H new ATOM 2068 N CYS B 53 17.282 6.404 -9.363 1.00 0.48 N ATOM 2069 CA CYS B 53 17.111 5.531 -10.521 1.00 0.53 C ATOM 2070 C CYS B 53 18.199 5.798 -11.556 1.00 0.50 C ATOM 2071 O CYS B 53 18.869 4.872 -12.016 1.00 0.56 O ATOM 2072 CB CYS B 53 15.731 5.762 -11.147 1.00 0.68 C ATOM 2073 SG CYS B 53 15.023 4.311 -11.965 1.00 1.15 S ATOM 0 H CYS B 53 16.476 6.996 -9.165 1.00 0.48 H new ATOM 0 HA CYS B 53 17.189 4.495 -10.191 1.00 0.53 H new ATOM 0 HB2 CYS B 53 15.045 6.095 -10.369 1.00 0.68 H new ATOM 0 HB3 CYS B 53 15.807 6.571 -11.873 1.00 0.68 H new ATOM 0 HG CYS B 53 15.981 3.534 -12.376 1.00 1.15 H new ATOM 2079 N ALA B 54 18.402 7.073 -11.873 1.00 0.51 N ATOM 2080 CA ALA B 54 19.414 7.475 -12.840 1.00 0.59 C ATOM 2081 C ALA B 54 20.821 7.250 -12.295 1.00 0.59 C ATOM 2082 O ALA B 54 21.766 7.034 -13.053 1.00 0.70 O ATOM 2083 CB ALA B 54 19.215 8.932 -13.225 1.00 0.69 C ATOM 0 H ALA B 54 17.875 7.848 -11.471 1.00 0.51 H new ATOM 0 HA ALA B 54 19.302 6.855 -13.730 1.00 0.59 H new ATOM 0 HB1 ALA B 54 19.976 9.224 -13.948 1.00 0.69 H new ATOM 0 HB2 ALA B 54 18.227 9.060 -13.666 1.00 0.69 H new ATOM 0 HB3 ALA B 54 19.299 9.558 -12.337 1.00 0.69 H new ATOM 2089 N ARG B 55 20.956 7.303 -10.976 1.00 0.55 N ATOM 2090 CA ARG B 55 22.247 7.096 -10.334 1.00 0.64 C ATOM 2091 C ARG B 55 22.658 5.635 -10.427 1.00 0.59 C ATOM 2092 O ARG B 55 23.799 5.316 -10.757 1.00 0.76 O ATOM 2093 CB ARG B 55 22.190 7.527 -8.869 1.00 0.72 C ATOM 2094 CG ARG B 55 23.465 8.189 -8.378 1.00 1.03 C ATOM 2095 CD ARG B 55 23.195 9.583 -7.833 1.00 1.37 C ATOM 2096 NE ARG B 55 22.405 9.553 -6.604 1.00 1.97 N ATOM 2097 CZ ARG B 55 21.501 10.475 -6.276 1.00 2.64 C ATOM 2098 NH1 ARG B 55 21.271 11.508 -7.078 1.00 2.89 N ATOM 2099 NH2 ARG B 55 20.813 10.365 -5.149 1.00 3.60 N ATOM 0 H ARG B 55 20.188 7.487 -10.331 1.00 0.55 H new ATOM 0 HA ARG B 55 22.988 7.705 -10.852 1.00 0.64 H new ATOM 0 HB2 ARG B 55 21.357 8.218 -8.735 1.00 0.72 H new ATOM 0 HB3 ARG B 55 21.983 6.654 -8.250 1.00 0.72 H new ATOM 0 HG2 ARG B 55 23.919 7.575 -7.600 1.00 1.03 H new ATOM 0 HG3 ARG B 55 24.183 8.250 -9.196 1.00 1.03 H new ATOM 0 HD2 ARG B 55 24.143 10.086 -7.641 1.00 1.37 H new ATOM 0 HD3 ARG B 55 22.669 10.170 -8.586 1.00 1.37 H new ATOM 0 HE ARG B 55 22.555 8.778 -5.957 1.00 1.97 H new ATOM 0 HH11 ARG B 55 21.788 11.600 -7.952 1.00 2.89 H new ATOM 0 HH12 ARG B 55 20.577 12.210 -6.820 1.00 2.89 H new ATOM 0 HH21 ARG B 55 20.974 9.572 -4.528 1.00 3.60 H new ATOM 0 HH22 ARG B 55 20.122 11.073 -4.902 1.00 3.60 H new ATOM 2113 N LYS B 56 21.720 4.751 -10.125 1.00 0.47 N ATOM 2114 CA LYS B 56 21.986 3.320 -10.144 1.00 0.52 C ATOM 2115 C LYS B 56 22.019 2.789 -11.573 1.00 0.51 C ATOM 2116 O LYS B 56 22.741 1.837 -11.874 1.00 0.60 O ATOM 2117 CB LYS B 56 20.920 2.576 -9.336 1.00 0.61 C ATOM 2118 CG LYS B 56 20.908 2.941 -7.861 1.00 0.74 C ATOM 2119 CD LYS B 56 21.511 1.839 -7.011 1.00 0.91 C ATOM 2120 CE LYS B 56 22.525 2.393 -6.024 1.00 1.62 C ATOM 2121 NZ LYS B 56 23.773 1.594 -6.007 1.00 1.85 N ATOM 0 H LYS B 56 20.766 4.999 -9.863 1.00 0.47 H new ATOM 0 HA LYS B 56 22.963 3.150 -9.692 1.00 0.52 H new ATOM 0 HB2 LYS B 56 19.939 2.788 -9.762 1.00 0.61 H new ATOM 0 HB3 LYS B 56 21.085 1.503 -9.435 1.00 0.61 H new ATOM 0 HG2 LYS B 56 21.465 3.865 -7.709 1.00 0.74 H new ATOM 0 HG3 LYS B 56 19.884 3.130 -7.540 1.00 0.74 H new ATOM 0 HD2 LYS B 56 20.720 1.321 -6.470 1.00 0.91 H new ATOM 0 HD3 LYS B 56 21.992 1.103 -7.655 1.00 0.91 H new ATOM 0 HE2 LYS B 56 22.758 3.425 -6.284 1.00 1.62 H new ATOM 0 HE3 LYS B 56 22.089 2.407 -5.025 1.00 1.62 H new ATOM 0 HZ1 LYS B 56 24.439 2.004 -5.321 1.00 1.85 H new ATOM 0 HZ2 LYS B 56 23.554 0.615 -5.734 1.00 1.85 H new ATOM 0 HZ3 LYS B 56 24.203 1.602 -6.954 1.00 1.85 H new ATOM 2135 N GLY B 57 21.184 3.359 -12.433 1.00 0.46 N ATOM 2136 CA GLY B 57 21.079 2.871 -13.793 1.00 0.51 C ATOM 2137 C GLY B 57 20.271 1.594 -13.856 1.00 0.59 C ATOM 2138 O GLY B 57 20.754 0.560 -14.321 1.00 0.75 O ATOM 0 H GLY B 57 20.579 4.150 -12.212 1.00 0.46 H new ATOM 0 HA2 GLY B 57 20.612 3.631 -14.420 1.00 0.51 H new ATOM 0 HA3 GLY B 57 22.076 2.694 -14.196 1.00 0.51 H new ATOM 2142 N THR B 58 19.081 1.634 -13.283 1.00 0.63 N ATOM 2143 CA THR B 58 18.252 0.453 -13.169 1.00 0.77 C ATOM 2144 C THR B 58 16.776 0.821 -13.287 1.00 0.62 C ATOM 2145 O THR B 58 16.418 1.999 -13.214 1.00 0.57 O ATOM 2146 CB THR B 58 18.529 -0.268 -11.829 1.00 1.02 C ATOM 2147 OG1 THR B 58 18.035 -1.615 -11.868 1.00 1.92 O ATOM 2148 CG2 THR B 58 17.902 0.474 -10.655 1.00 0.92 C ATOM 0 H THR B 58 18.667 2.479 -12.888 1.00 0.63 H new ATOM 0 HA THR B 58 18.500 -0.226 -13.985 1.00 0.77 H new ATOM 0 HB THR B 58 19.610 -0.285 -11.687 1.00 1.02 H new ATOM 0 HG1 THR B 58 18.220 -2.056 -11.013 1.00 1.92 H new ATOM 0 HG21 THR B 58 18.117 -0.061 -9.730 1.00 0.92 H new ATOM 0 HG22 THR B 58 18.317 1.480 -10.597 1.00 0.92 H new ATOM 0 HG23 THR B 58 16.823 0.534 -10.797 1.00 0.92 H new ATOM 2156 N SER B 59 15.933 -0.187 -13.476 1.00 0.66 N ATOM 2157 CA SER B 59 14.497 0.013 -13.608 1.00 0.66 C ATOM 2158 C SER B 59 13.899 0.536 -12.307 1.00 0.62 C ATOM 2159 O SER B 59 14.371 0.193 -11.222 1.00 0.66 O ATOM 2160 CB SER B 59 13.845 -1.307 -14.014 1.00 0.78 C ATOM 2161 OG SER B 59 14.814 -2.192 -14.557 1.00 0.87 O ATOM 0 H SER B 59 16.225 -1.162 -13.542 1.00 0.66 H new ATOM 0 HA SER B 59 14.307 0.761 -14.378 1.00 0.66 H new ATOM 0 HB2 SER B 59 13.369 -1.766 -13.148 1.00 0.78 H new ATOM 0 HB3 SER B 59 13.061 -1.122 -14.748 1.00 0.78 H new ATOM 0 HG SER B 59 15.166 -2.767 -13.846 1.00 0.87 H new ATOM 2167 N ILE B 60 12.909 1.421 -12.427 1.00 0.66 N ATOM 2168 CA ILE B 60 12.311 2.077 -11.267 1.00 0.73 C ATOM 2169 C ILE B 60 11.850 1.055 -10.226 1.00 0.76 C ATOM 2170 O ILE B 60 12.089 1.229 -9.032 1.00 0.85 O ATOM 2171 CB ILE B 60 11.132 3.000 -11.672 1.00 0.85 C ATOM 2172 CG1 ILE B 60 10.447 3.582 -10.432 1.00 0.97 C ATOM 2173 CG2 ILE B 60 10.123 2.257 -12.538 1.00 1.00 C ATOM 2174 CD1 ILE B 60 10.303 5.087 -10.473 1.00 0.91 C ATOM 0 H ILE B 60 12.504 1.700 -13.321 1.00 0.66 H new ATOM 0 HA ILE B 60 13.087 2.699 -10.821 1.00 0.73 H new ATOM 0 HB ILE B 60 11.541 3.822 -12.259 1.00 0.85 H new ATOM 0 HG12 ILE B 60 9.459 3.133 -10.328 1.00 0.97 H new ATOM 0 HG13 ILE B 60 11.018 3.304 -9.547 1.00 0.97 H new ATOM 0 HG21 ILE B 60 9.308 2.930 -12.806 1.00 1.00 H new ATOM 0 HG22 ILE B 60 10.613 1.902 -13.444 1.00 1.00 H new ATOM 0 HG23 ILE B 60 9.724 1.407 -11.984 1.00 1.00 H new ATOM 0 HD11 ILE B 60 9.810 5.430 -9.564 1.00 0.91 H new ATOM 0 HD12 ILE B 60 11.289 5.545 -10.546 1.00 0.91 H new ATOM 0 HD13 ILE B 60 9.706 5.372 -11.339 1.00 0.91 H new ATOM 2186 N THR B 61 11.251 -0.035 -10.687 1.00 0.79 N ATOM 2187 CA THR B 61 10.769 -1.079 -9.797 1.00 0.85 C ATOM 2188 C THR B 61 11.906 -1.763 -9.038 1.00 0.77 C ATOM 2189 O THR B 61 11.737 -2.187 -7.891 1.00 0.75 O ATOM 2190 CB THR B 61 9.974 -2.128 -10.584 1.00 1.01 C ATOM 2191 OG1 THR B 61 9.695 -1.626 -11.898 1.00 1.12 O ATOM 2192 CG2 THR B 61 8.676 -2.466 -9.871 1.00 1.14 C ATOM 0 H THR B 61 11.088 -0.218 -11.677 1.00 0.79 H new ATOM 0 HA THR B 61 10.121 -0.598 -9.065 1.00 0.85 H new ATOM 0 HB THR B 61 10.569 -3.038 -10.658 1.00 1.01 H new ATOM 0 HG1 THR B 61 9.188 -2.296 -12.403 1.00 1.12 H new ATOM 0 HG21 THR B 61 8.128 -3.212 -10.447 1.00 1.14 H new ATOM 0 HG22 THR B 61 8.898 -2.863 -8.880 1.00 1.14 H new ATOM 0 HG23 THR B 61 8.069 -1.566 -9.773 1.00 1.14 H new ATOM 2200 N ASP B 62 13.080 -1.806 -9.652 1.00 0.74 N ATOM 2201 CA ASP B 62 14.247 -2.405 -9.014 1.00 0.73 C ATOM 2202 C ASP B 62 14.841 -1.454 -7.982 1.00 0.62 C ATOM 2203 O ASP B 62 15.437 -1.890 -6.998 1.00 0.61 O ATOM 2204 CB ASP B 62 15.301 -2.785 -10.053 1.00 0.82 C ATOM 2205 CG ASP B 62 15.866 -4.173 -9.820 1.00 1.16 C ATOM 2206 OD1 ASP B 62 16.725 -4.330 -8.931 1.00 1.68 O ATOM 2207 OD2 ASP B 62 15.452 -5.117 -10.526 1.00 1.81 O ATOM 0 H ASP B 62 13.251 -1.436 -10.587 1.00 0.74 H new ATOM 0 HA ASP B 62 13.924 -3.313 -8.505 1.00 0.73 H new ATOM 0 HB2 ASP B 62 14.860 -2.737 -11.049 1.00 0.82 H new ATOM 0 HB3 ASP B 62 16.111 -2.057 -10.028 1.00 0.82 H new ATOM 2212 N VAL B 63 14.564 -0.162 -8.138 1.00 0.60 N ATOM 2213 CA VAL B 63 14.986 0.820 -7.147 1.00 0.57 C ATOM 2214 C VAL B 63 14.110 0.712 -5.908 1.00 0.56 C ATOM 2215 O VAL B 63 14.599 0.789 -4.785 1.00 0.59 O ATOM 2216 CB VAL B 63 14.936 2.271 -7.675 1.00 0.62 C ATOM 2217 CG1 VAL B 63 15.891 3.153 -6.889 1.00 0.81 C ATOM 2218 CG2 VAL B 63 15.266 2.332 -9.153 1.00 1.01 C ATOM 0 H VAL B 63 14.055 0.225 -8.933 1.00 0.60 H new ATOM 0 HA VAL B 63 16.025 0.595 -6.907 1.00 0.57 H new ATOM 0 HB VAL B 63 13.919 2.639 -7.541 1.00 0.62 H new ATOM 0 HG11 VAL B 63 15.844 4.172 -7.273 1.00 0.81 H new ATOM 0 HG12 VAL B 63 15.608 3.148 -5.836 1.00 0.81 H new ATOM 0 HG13 VAL B 63 16.907 2.772 -6.993 1.00 0.81 H new ATOM 0 HG21 VAL B 63 15.222 3.367 -9.493 1.00 1.01 H new ATOM 0 HG22 VAL B 63 16.269 1.938 -9.318 1.00 1.01 H new ATOM 0 HG23 VAL B 63 14.545 1.735 -9.712 1.00 1.01 H new ATOM 2228 N VAL B 64 12.824 0.435 -6.121 1.00 0.55 N ATOM 2229 CA VAL B 64 11.908 0.219 -5.005 1.00 0.56 C ATOM 2230 C VAL B 64 12.331 -1.009 -4.224 1.00 0.55 C ATOM 2231 O VAL B 64 12.417 -0.981 -2.997 1.00 0.57 O ATOM 2232 CB VAL B 64 10.434 0.051 -5.440 1.00 0.57 C ATOM 2233 CG1 VAL B 64 9.508 0.601 -4.365 1.00 0.73 C ATOM 2234 CG2 VAL B 64 10.165 0.726 -6.773 1.00 0.67 C ATOM 0 H VAL B 64 12.398 0.356 -7.044 1.00 0.55 H new ATOM 0 HA VAL B 64 11.963 1.116 -4.388 1.00 0.56 H new ATOM 0 HB VAL B 64 10.239 -1.014 -5.568 1.00 0.57 H new ATOM 0 HG11 VAL B 64 8.472 0.478 -4.680 1.00 0.73 H new ATOM 0 HG12 VAL B 64 9.670 0.060 -3.433 1.00 0.73 H new ATOM 0 HG13 VAL B 64 9.718 1.659 -4.211 1.00 0.73 H new ATOM 0 HG21 VAL B 64 9.119 0.587 -7.047 1.00 0.67 H new ATOM 0 HG22 VAL B 64 10.380 1.791 -6.691 1.00 0.67 H new ATOM 0 HG23 VAL B 64 10.802 0.285 -7.539 1.00 0.67 H new ATOM 2244 N ASN B 65 12.694 -2.056 -4.951 1.00 0.55 N ATOM 2245 CA ASN B 65 13.181 -3.282 -4.340 1.00 0.56 C ATOM 2246 C ASN B 65 14.517 -3.048 -3.644 1.00 0.56 C ATOM 2247 O ASN B 65 14.833 -3.710 -2.658 1.00 0.56 O ATOM 2248 CB ASN B 65 13.323 -4.383 -5.388 1.00 0.58 C ATOM 2249 CG ASN B 65 12.981 -5.750 -4.835 1.00 0.77 C ATOM 2250 OD1 ASN B 65 13.196 -6.029 -3.657 1.00 0.86 O ATOM 2251 ND2 ASN B 65 12.453 -6.615 -5.683 1.00 1.46 N ATOM 0 H ASN B 65 12.660 -2.079 -5.970 1.00 0.55 H new ATOM 0 HA ASN B 65 12.453 -3.598 -3.593 1.00 0.56 H new ATOM 0 HB2 ASN B 65 12.672 -4.162 -6.234 1.00 0.58 H new ATOM 0 HB3 ASN B 65 14.345 -4.392 -5.766 1.00 0.58 H new ATOM 0 HD21 ASN B 65 12.208 -7.554 -5.368 1.00 1.46 H new ATOM 0 HD22 ASN B 65 12.290 -6.344 -6.653 1.00 1.46 H new ATOM 2258 N GLN B 66 15.268 -2.064 -4.126 1.00 0.58 N ATOM 2259 CA GLN B 66 16.542 -1.701 -3.515 1.00 0.60 C ATOM 2260 C GLN B 66 16.317 -1.068 -2.146 1.00 0.58 C ATOM 2261 O GLN B 66 17.059 -1.336 -1.198 1.00 0.61 O ATOM 2262 CB GLN B 66 17.314 -0.738 -4.419 1.00 0.65 C ATOM 2263 CG GLN B 66 18.817 -0.965 -4.407 1.00 0.84 C ATOM 2264 CD GLN B 66 19.358 -1.415 -5.753 1.00 1.25 C ATOM 2265 OE1 GLN B 66 18.472 -1.816 -6.652 1.00 2.01 O flip ATOM 2266 NE2 GLN B 66 20.568 -1.405 -5.979 1.00 1.70 N flip ATOM 0 H GLN B 66 15.016 -1.502 -4.939 1.00 0.58 H new ATOM 0 HA GLN B 66 17.131 -2.609 -3.387 1.00 0.60 H new ATOM 0 HB2 GLN B 66 16.948 -0.839 -5.441 1.00 0.65 H new ATOM 0 HB3 GLN B 66 17.107 0.285 -4.106 1.00 0.65 H new ATOM 0 HG2 GLN B 66 19.316 -0.043 -4.111 1.00 0.84 H new ATOM 0 HG3 GLN B 66 19.060 -1.715 -3.654 1.00 0.84 H new ATOM 0 HE21 GLN B 66 21.219 -1.089 -5.260 1.00 1.70 H new ATOM 0 HE22 GLN B 66 20.920 -1.713 -6.885 1.00 1.70 H new ATOM 2275 N LEU B 67 15.242 -0.298 -2.024 1.00 0.55 N ATOM 2276 CA LEU B 67 14.869 0.280 -0.737 1.00 0.55 C ATOM 2277 C LEU B 67 14.483 -0.829 0.233 1.00 0.50 C ATOM 2278 O LEU B 67 14.947 -0.867 1.377 1.00 0.50 O ATOM 2279 CB LEU B 67 13.702 1.261 -0.882 1.00 0.57 C ATOM 2280 CG LEU B 67 13.771 2.205 -2.083 1.00 0.64 C ATOM 2281 CD1 LEU B 67 12.394 2.385 -2.685 1.00 0.97 C ATOM 2282 CD2 LEU B 67 14.335 3.552 -1.678 1.00 0.67 C ATOM 0 H LEU B 67 14.617 -0.060 -2.794 1.00 0.55 H new ATOM 0 HA LEU B 67 15.729 0.828 -0.352 1.00 0.55 H new ATOM 0 HB2 LEU B 67 12.777 0.688 -0.947 1.00 0.57 H new ATOM 0 HB3 LEU B 67 13.642 1.862 0.025 1.00 0.57 H new ATOM 0 HG LEU B 67 14.433 1.762 -2.827 1.00 0.64 H new ATOM 0 HD11 LEU B 67 12.456 3.059 -3.539 1.00 0.97 H new ATOM 0 HD12 LEU B 67 12.011 1.418 -3.012 1.00 0.97 H new ATOM 0 HD13 LEU B 67 11.722 2.807 -1.937 1.00 0.97 H new ATOM 0 HD21 LEU B 67 14.375 4.207 -2.549 1.00 0.67 H new ATOM 0 HD22 LEU B 67 13.697 4.000 -0.916 1.00 0.67 H new ATOM 0 HD23 LEU B 67 15.340 3.420 -1.277 1.00 0.67 H new ATOM 2294 N VAL B 68 13.683 -1.773 -0.258 1.00 0.48 N ATOM 2295 CA VAL B 68 13.281 -2.922 0.540 1.00 0.45 C ATOM 2296 C VAL B 68 14.490 -3.769 0.899 1.00 0.42 C ATOM 2297 O VAL B 68 14.573 -4.309 1.995 1.00 0.40 O ATOM 2298 CB VAL B 68 12.253 -3.819 -0.184 1.00 0.46 C ATOM 2299 CG1 VAL B 68 11.466 -4.638 0.822 1.00 0.99 C ATOM 2300 CG2 VAL B 68 11.316 -2.994 -1.050 1.00 1.07 C ATOM 0 H VAL B 68 13.302 -1.762 -1.204 1.00 0.48 H new ATOM 0 HA VAL B 68 12.813 -2.520 1.439 1.00 0.45 H new ATOM 0 HB VAL B 68 12.800 -4.499 -0.838 1.00 0.46 H new ATOM 0 HG11 VAL B 68 10.746 -5.265 0.297 1.00 0.99 H new ATOM 0 HG12 VAL B 68 12.149 -5.269 1.391 1.00 0.99 H new ATOM 0 HG13 VAL B 68 10.937 -3.969 1.502 1.00 0.99 H new ATOM 0 HG21 VAL B 68 10.604 -3.654 -1.547 1.00 1.07 H new ATOM 0 HG22 VAL B 68 10.776 -2.282 -0.426 1.00 1.07 H new ATOM 0 HG23 VAL B 68 11.894 -2.454 -1.800 1.00 1.07 H new ATOM 2310 N ASP B 69 15.424 -3.874 -0.037 1.00 0.47 N ATOM 2311 CA ASP B 69 16.652 -4.637 0.169 1.00 0.49 C ATOM 2312 C ASP B 69 17.385 -4.138 1.403 1.00 0.48 C ATOM 2313 O ASP B 69 17.724 -4.914 2.302 1.00 0.49 O ATOM 2314 CB ASP B 69 17.565 -4.501 -1.055 1.00 0.60 C ATOM 2315 CG ASP B 69 17.766 -5.806 -1.787 1.00 0.84 C ATOM 2316 OD1 ASP B 69 17.308 -6.853 -1.282 1.00 1.09 O ATOM 2317 OD2 ASP B 69 18.370 -5.795 -2.881 1.00 1.46 O ATOM 0 H ASP B 69 15.355 -3.436 -0.956 1.00 0.47 H new ATOM 0 HA ASP B 69 16.388 -5.685 0.311 1.00 0.49 H new ATOM 0 HB2 ASP B 69 17.139 -3.768 -1.740 1.00 0.60 H new ATOM 0 HB3 ASP B 69 18.534 -4.115 -0.738 1.00 0.60 H new ATOM 2322 N ASN B 70 17.563 -2.823 1.456 1.00 0.55 N ATOM 2323 CA ASN B 70 18.205 -2.168 2.587 1.00 0.61 C ATOM 2324 C ASN B 70 17.496 -2.536 3.881 1.00 0.56 C ATOM 2325 O ASN B 70 18.073 -3.186 4.747 1.00 0.60 O ATOM 2326 CB ASN B 70 18.183 -0.646 2.396 1.00 0.74 C ATOM 2327 CG ASN B 70 19.248 0.074 3.205 1.00 1.37 C ATOM 2328 OD1 ASN B 70 20.336 0.356 2.707 1.00 1.88 O ATOM 2329 ND2 ASN B 70 18.935 0.393 4.452 1.00 2.19 N ATOM 0 H ASN B 70 17.267 -2.184 0.718 1.00 0.55 H new ATOM 0 HA ASN B 70 19.240 -2.505 2.643 1.00 0.61 H new ATOM 0 HB2 ASN B 70 18.322 -0.417 1.339 1.00 0.74 H new ATOM 0 HB3 ASN B 70 17.202 -0.265 2.679 1.00 0.74 H new ATOM 0 HD21 ASN B 70 19.608 0.891 5.035 1.00 2.19 H new ATOM 0 HD22 ASN B 70 18.021 0.141 4.829 1.00 2.19 H new ATOM 2336 N TRP B 71 16.223 -2.174 3.960 1.00 0.54 N ATOM 2337 CA TRP B 71 15.395 -2.456 5.130 1.00 0.54 C ATOM 2338 C TRP B 71 15.416 -3.933 5.499 1.00 0.47 C ATOM 2339 O TRP B 71 15.734 -4.298 6.628 1.00 0.53 O ATOM 2340 CB TRP B 71 13.953 -2.034 4.846 1.00 0.57 C ATOM 2341 CG TRP B 71 13.045 -2.126 6.035 1.00 0.64 C ATOM 2342 CD1 TRP B 71 12.834 -1.155 6.963 1.00 0.81 C ATOM 2343 CD2 TRP B 71 12.218 -3.235 6.412 1.00 0.61 C ATOM 2344 NE1 TRP B 71 11.932 -1.586 7.903 1.00 0.86 N ATOM 2345 CE2 TRP B 71 11.539 -2.858 7.589 1.00 0.75 C ATOM 2346 CE3 TRP B 71 11.982 -4.510 5.877 1.00 0.53 C ATOM 2347 CZ2 TRP B 71 10.646 -3.705 8.236 1.00 0.80 C ATOM 2348 CZ3 TRP B 71 11.092 -5.347 6.522 1.00 0.62 C ATOM 2349 CH2 TRP B 71 10.431 -4.939 7.689 1.00 0.74 C ATOM 0 H TRP B 71 15.733 -1.677 3.216 1.00 0.54 H new ATOM 0 HA TRP B 71 15.803 -1.892 5.968 1.00 0.54 H new ATOM 0 HB2 TRP B 71 13.951 -1.008 4.479 1.00 0.57 H new ATOM 0 HB3 TRP B 71 13.553 -2.659 4.047 1.00 0.57 H new ATOM 0 HD1 TRP B 71 13.308 -0.185 6.961 1.00 0.81 H new ATOM 0 HE1 TRP B 71 11.607 -1.046 8.705 1.00 0.86 H new ATOM 0 HE3 TRP B 71 12.487 -4.831 4.978 1.00 0.53 H new ATOM 0 HZ2 TRP B 71 10.140 -3.398 9.139 1.00 0.80 H new ATOM 0 HZ3 TRP B 71 10.902 -6.332 6.121 1.00 0.62 H new ATOM 0 HH2 TRP B 71 9.737 -5.615 8.166 1.00 0.74 H new ATOM 2360 N LEU B 72 14.944 -4.754 4.575 1.00 0.42 N ATOM 2361 CA LEU B 72 14.729 -6.173 4.810 1.00 0.44 C ATOM 2362 C LEU B 72 15.912 -6.843 5.485 1.00 0.55 C ATOM 2363 O LEU B 72 15.736 -7.653 6.395 1.00 0.65 O ATOM 2364 CB LEU B 72 14.444 -6.878 3.487 1.00 0.50 C ATOM 2365 CG LEU B 72 13.454 -8.031 3.574 1.00 0.47 C ATOM 2366 CD1 LEU B 72 12.123 -7.632 2.964 1.00 0.58 C ATOM 2367 CD2 LEU B 72 14.019 -9.264 2.885 1.00 0.60 C ATOM 0 H LEU B 72 14.697 -4.452 3.633 1.00 0.42 H new ATOM 0 HA LEU B 72 13.876 -6.256 5.483 1.00 0.44 H new ATOM 0 HB2 LEU B 72 14.063 -6.145 2.776 1.00 0.50 H new ATOM 0 HB3 LEU B 72 15.384 -7.255 3.083 1.00 0.50 H new ATOM 0 HG LEU B 72 13.287 -8.273 4.624 1.00 0.47 H new ATOM 0 HD11 LEU B 72 11.426 -8.467 3.034 1.00 0.58 H new ATOM 0 HD12 LEU B 72 11.718 -6.775 3.503 1.00 0.58 H new ATOM 0 HD13 LEU B 72 12.268 -7.367 1.917 1.00 0.58 H new ATOM 0 HD21 LEU B 72 13.301 -10.081 2.955 1.00 0.60 H new ATOM 0 HD22 LEU B 72 14.211 -9.039 1.836 1.00 0.60 H new ATOM 0 HD23 LEU B 72 14.950 -9.557 3.370 1.00 0.60 H new ATOM 2379 N LYS B 73 17.094 -6.628 4.940 1.00 0.63 N ATOM 2380 CA LYS B 73 18.254 -7.379 5.380 1.00 0.83 C ATOM 2381 C LYS B 73 19.077 -6.630 6.425 1.00 0.97 C ATOM 2382 O LYS B 73 19.915 -7.226 7.097 1.00 1.13 O ATOM 2383 CB LYS B 73 19.094 -7.759 4.165 1.00 0.96 C ATOM 2384 CG LYS B 73 18.305 -8.586 3.157 1.00 0.92 C ATOM 2385 CD LYS B 73 18.478 -8.068 1.740 1.00 1.16 C ATOM 2386 CE LYS B 73 18.742 -9.199 0.766 1.00 1.41 C ATOM 2387 NZ LYS B 73 19.085 -8.695 -0.588 1.00 1.79 N ATOM 0 H LYS B 73 17.276 -5.949 4.201 1.00 0.63 H new ATOM 0 HA LYS B 73 17.908 -8.286 5.876 1.00 0.83 H new ATOM 0 HB2 LYS B 73 19.461 -6.854 3.682 1.00 0.96 H new ATOM 0 HB3 LYS B 73 19.968 -8.323 4.491 1.00 0.96 H new ATOM 0 HG2 LYS B 73 18.631 -9.625 3.206 1.00 0.92 H new ATOM 0 HG3 LYS B 73 17.248 -8.570 3.423 1.00 0.92 H new ATOM 0 HD2 LYS B 73 17.582 -7.527 1.437 1.00 1.16 H new ATOM 0 HD3 LYS B 73 19.305 -7.358 1.709 1.00 1.16 H new ATOM 0 HE2 LYS B 73 19.558 -9.818 1.140 1.00 1.41 H new ATOM 0 HE3 LYS B 73 17.861 -9.837 0.703 1.00 1.41 H new ATOM 0 HZ1 LYS B 73 19.092 -9.487 -1.262 1.00 1.79 H new ATOM 0 HZ2 LYS B 73 18.378 -7.993 -0.886 1.00 1.79 H new ATOM 0 HZ3 LYS B 73 20.025 -8.252 -0.565 1.00 1.79 H new ATOM 2401 N GLU B 74 18.823 -5.338 6.594 1.00 0.99 N ATOM 2402 CA GLU B 74 19.542 -4.556 7.595 1.00 1.22 C ATOM 2403 C GLU B 74 18.755 -4.477 8.903 1.00 1.27 C ATOM 2404 O GLU B 74 19.336 -4.341 9.977 1.00 1.50 O ATOM 2405 CB GLU B 74 19.835 -3.144 7.076 1.00 1.37 C ATOM 2406 CG GLU B 74 21.315 -2.803 7.019 1.00 1.81 C ATOM 2407 CD GLU B 74 22.155 -3.928 6.452 1.00 2.23 C ATOM 2408 OE1 GLU B 74 22.182 -4.090 5.214 1.00 2.51 O ATOM 2409 OE2 GLU B 74 22.789 -4.664 7.241 1.00 2.78 O ATOM 0 H GLU B 74 18.132 -4.813 6.058 1.00 0.99 H new ATOM 0 HA GLU B 74 20.487 -5.062 7.790 1.00 1.22 H new ATOM 0 HB2 GLU B 74 19.409 -3.039 6.078 1.00 1.37 H new ATOM 0 HB3 GLU B 74 19.330 -2.420 7.716 1.00 1.37 H new ATOM 0 HG2 GLU B 74 21.454 -1.910 6.410 1.00 1.81 H new ATOM 0 HG3 GLU B 74 21.667 -2.563 8.022 1.00 1.81 H new ATOM 2416 N ASN B 75 17.430 -4.508 8.799 1.00 1.11 N ATOM 2417 CA ASN B 75 16.564 -4.366 9.975 1.00 1.21 C ATOM 2418 C ASN B 75 16.452 -5.676 10.751 1.00 1.14 C ATOM 2419 O ASN B 75 15.983 -5.692 11.890 1.00 1.29 O ATOM 2420 CB ASN B 75 15.169 -3.865 9.563 1.00 1.28 C ATOM 2421 CG ASN B 75 14.132 -4.973 9.496 1.00 1.61 C ATOM 2422 OD1 ASN B 75 13.362 -5.181 10.437 1.00 1.88 O ATOM 2423 ND2 ASN B 75 14.099 -5.688 8.384 1.00 1.97 N ATOM 0 H ASN B 75 16.930 -4.629 7.918 1.00 1.11 H new ATOM 0 HA ASN B 75 17.022 -3.628 10.633 1.00 1.21 H new ATOM 0 HB2 ASN B 75 14.837 -3.108 10.274 1.00 1.28 H new ATOM 0 HB3 ASN B 75 15.237 -3.380 8.589 1.00 1.28 H new ATOM 0 HD21 ASN B 75 13.420 -6.442 8.283 1.00 1.97 H new ATOM 0 HD22 ASN B 75 14.753 -5.485 7.628 1.00 1.97 H new ATOM 2430 N GLU B 76 16.923 -6.762 10.152 1.00 1.01 N ATOM 2431 CA GLU B 76 16.899 -8.063 10.811 1.00 1.08 C ATOM 2432 C GLU B 76 17.877 -8.090 11.981 1.00 1.38 C ATOM 2433 O GLU B 76 19.088 -7.901 11.749 1.00 1.93 O ATOM 2434 CB GLU B 76 17.239 -9.175 9.819 1.00 1.36 C ATOM 2435 CG GLU B 76 16.017 -9.893 9.270 1.00 1.88 C ATOM 2436 CD GLU B 76 15.445 -10.916 10.235 1.00 2.20 C ATOM 2437 OE1 GLU B 76 16.227 -11.549 10.975 1.00 2.67 O ATOM 2438 OE2 GLU B 76 14.207 -11.086 10.255 1.00 2.52 O ATOM 2439 OXT GLU B 76 17.428 -8.277 13.132 1.00 1.90 O ATOM 0 H GLU B 76 17.325 -6.769 9.215 1.00 1.01 H new ATOM 0 HA GLU B 76 15.892 -8.231 11.193 1.00 1.08 H new ATOM 0 HB2 GLU B 76 17.804 -8.750 8.989 1.00 1.36 H new ATOM 0 HB3 GLU B 76 17.888 -9.901 10.308 1.00 1.36 H new ATOM 0 HG2 GLU B 76 15.248 -9.158 9.031 1.00 1.88 H new ATOM 0 HG3 GLU B 76 16.284 -10.391 8.338 1.00 1.88 H new