USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 872 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 79 ASN : amide:sc= -1.55 K(o=-1,f=-1.7) USER MOD Set 1.2: A 123 TYR OH : rot 16:sc= 0.535 USER MOD Set 2.1: A 116 ASN : amide:sc= 1.85 K(o=2.7,f=1.6) USER MOD Set 2.2: A 117 GLN : amide:sc= 0.835 K(o=2.7,f=1.6) USER MOD Set 3.1: A 115 TYR OH : rot 49:sc= 2.22 USER MOD Set 3.2: A 145 ASN : amide:sc= 0.884 K(o=3.1,f=1.1) USER MOD Set 4.1: A 40 THR OG1 : rot -80:sc= 0.992 USER MOD Set 4.2: A 76 LYS NZ :NH3+ 169:sc= -0.101 (180deg=-1.33) USER MOD Single : A 39 HIS : no HD1:sc= -0.191 X(o=-0.19,f=-0.047) USER MOD Single : A 41 SER OG : rot -78:sc= 0.244 USER MOD Single : A 44 LYS NZ :NH3+ 162:sc= 3.67 (180deg=2.76) USER MOD Single : A 52 THR OG1 : rot 180:sc=-0.00325 USER MOD Single : A 53 TYR OH : rot 50:sc= 0 USER MOD Single : A 56 THR OG1 : rot 42:sc= 0.688 USER MOD Single : A 60 SER OG : rot -31:sc= 0.0141 USER MOD Single : A 66 LYS NZ :NH3+ 165:sc= 0.798 (180deg=0.391) USER MOD Single : A 68 THR OG1 : rot 55:sc= 0.152 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 14:sc= 0.934 USER MOD Single : A 77 GLN : amide:sc= -1.39 K(o=-1.4,f=-0.12) USER MOD Single : A 81 LYS NZ :NH3+ -155:sc= 0.274 (180deg=-2.33!) USER MOD Single : A 84 HIS : no HE2:sc= 0.464 K(o=0.46,f=-2.9!) USER MOD Single : A 86 LYS NZ :NH3+ -170:sc= -0.0344 (180deg=-0.225) USER MOD Single : A 87 SER OG : rot 180:sc= -0.173 USER MOD Single : A 91 ASN : amide:sc= 1.8 K(o=1.8,f=-7.6!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HE2:sc= -0.74 K(o=-0.74,f=-3.1) USER MOD Single : A 110 SER OG : rot 32:sc= 1.15 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 141:sc= 1.1 (180deg=0.363) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 34:sc= 0.516 USER MOD Single : A 131 LYS NZ :NH3+ -159:sc= 0.459 (180deg=0.154!) USER MOD Single : A 133 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.21) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 142 LYS NZ :NH3+ -172:sc= 1.24 (180deg=1.06) USER MOD Single : A 143 THR OG1 : rot 166:sc= 1.24 USER MOD Single : A 149 HIS : no HE2:sc= -0.677 K(o=-0.68,f=-5.7!) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 GLN : amide:sc= -0.794 K(o=-0.79,f=-4.1) USER MOD ----------------------------------------------------------------- ATOM 560 N GLY A 37 -7.597 -14.152 -4.628 1.00 2.50 N ATOM 561 CA GLY A 37 -8.215 -12.889 -4.240 1.00 1.96 C ATOM 562 C GLY A 37 -9.650 -12.809 -4.762 1.00 1.75 C ATOM 563 O GLY A 37 -9.966 -11.937 -5.573 1.00 2.11 O ATOM 0 HA2 GLY A 37 -8.212 -12.795 -3.154 1.00 1.96 H new ATOM 0 HA3 GLY A 37 -7.632 -12.057 -4.634 1.00 1.96 H new ATOM 567 N GLU A 38 -10.510 -13.729 -4.310 1.00 1.89 N ATOM 568 CA GLU A 38 -11.774 -14.044 -4.960 1.00 1.92 C ATOM 569 C GLU A 38 -12.589 -12.812 -5.335 1.00 1.58 C ATOM 570 O GLU A 38 -12.772 -12.543 -6.519 1.00 1.46 O ATOM 571 CB GLU A 38 -12.609 -15.017 -4.123 1.00 2.26 C ATOM 572 CG GLU A 38 -11.793 -16.256 -3.735 1.00 3.02 C ATOM 573 CD GLU A 38 -12.698 -17.426 -3.389 1.00 3.82 C ATOM 574 OE1 GLU A 38 -12.391 -18.544 -3.857 1.00 5.15 O ATOM 575 OE2 GLU A 38 -13.698 -17.179 -2.681 1.00 3.79 O ATOM 0 H GLU A 38 -10.339 -14.280 -3.469 1.00 1.89 H new ATOM 0 HA GLU A 38 -11.508 -14.533 -5.897 1.00 1.92 H new ATOM 0 HB2 GLU A 38 -12.963 -14.515 -3.223 1.00 2.26 H new ATOM 0 HB3 GLU A 38 -13.491 -15.321 -4.686 1.00 2.26 H new ATOM 0 HG2 GLU A 38 -11.135 -16.533 -4.559 1.00 3.02 H new ATOM 0 HG3 GLU A 38 -11.155 -16.022 -2.882 1.00 3.02 H new ATOM 582 N HIS A 39 -13.115 -12.067 -4.352 1.00 1.59 N ATOM 583 CA HIS A 39 -14.029 -10.987 -4.657 1.00 1.58 C ATOM 584 C HIS A 39 -13.325 -9.916 -5.492 1.00 1.29 C ATOM 585 O HIS A 39 -13.905 -9.410 -6.450 1.00 1.48 O ATOM 586 CB HIS A 39 -14.663 -10.464 -3.370 1.00 1.86 C ATOM 587 CG HIS A 39 -15.335 -11.561 -2.584 1.00 2.81 C ATOM 588 ND1 HIS A 39 -16.200 -12.510 -3.084 1.00 3.40 N ATOM 589 CD2 HIS A 39 -15.106 -11.865 -1.274 1.00 4.16 C ATOM 590 CE1 HIS A 39 -16.497 -13.353 -2.080 1.00 4.34 C ATOM 591 NE2 HIS A 39 -15.864 -12.990 -0.953 1.00 4.86 N ATOM 0 H HIS A 39 -12.920 -12.198 -3.359 1.00 1.59 H new ATOM 0 HA HIS A 39 -14.852 -11.348 -5.274 1.00 1.58 H new ATOM 0 HB2 HIS A 39 -13.897 -9.994 -2.754 1.00 1.86 H new ATOM 0 HB3 HIS A 39 -15.394 -9.693 -3.613 1.00 1.86 H new ATOM 0 HD2 HIS A 39 -14.452 -11.328 -0.603 1.00 4.16 H new ATOM 0 HE1 HIS A 39 -17.155 -14.205 -2.168 1.00 4.34 H new ATOM 0 HE2 HIS A 39 -15.925 -13.447 -0.043 1.00 4.86 H new ATOM 599 N THR A 40 -12.067 -9.596 -5.169 1.00 1.07 N ATOM 600 CA THR A 40 -11.370 -8.528 -5.867 1.00 1.07 C ATOM 601 C THR A 40 -11.115 -8.845 -7.335 1.00 0.99 C ATOM 602 O THR A 40 -11.141 -7.917 -8.138 1.00 1.26 O ATOM 603 CB THR A 40 -10.106 -8.063 -5.131 1.00 1.39 C ATOM 604 OG1 THR A 40 -9.562 -6.924 -5.781 1.00 2.71 O ATOM 605 CG2 THR A 40 -9.025 -9.135 -5.015 1.00 1.94 C ATOM 0 H THR A 40 -11.524 -10.057 -4.439 1.00 1.07 H new ATOM 0 HA THR A 40 -12.051 -7.677 -5.862 1.00 1.07 H new ATOM 0 HB THR A 40 -10.422 -7.824 -4.115 1.00 1.39 H new ATOM 0 HG1 THR A 40 -9.047 -7.209 -6.565 1.00 2.71 H new ATOM 0 HG21 THR A 40 -8.165 -8.728 -4.483 1.00 1.94 H new ATOM 0 HG22 THR A 40 -9.419 -9.991 -4.468 1.00 1.94 H new ATOM 0 HG23 THR A 40 -8.718 -9.452 -6.012 1.00 1.94 H new ATOM 613 N SER A 41 -10.824 -10.097 -7.686 1.00 0.86 N ATOM 614 CA SER A 41 -10.751 -10.473 -9.096 1.00 0.84 C ATOM 615 C SER A 41 -12.168 -10.466 -9.679 1.00 0.95 C ATOM 616 O SER A 41 -12.483 -9.666 -10.566 1.00 1.12 O ATOM 617 CB SER A 41 -10.050 -11.826 -9.261 1.00 1.00 C ATOM 618 OG SER A 41 -10.668 -12.806 -8.451 1.00 2.21 O ATOM 0 H SER A 41 -10.638 -10.854 -7.028 1.00 0.86 H new ATOM 0 HA SER A 41 -10.150 -9.752 -9.650 1.00 0.84 H new ATOM 0 HB2 SER A 41 -10.084 -12.135 -10.306 1.00 1.00 H new ATOM 0 HB3 SER A 41 -8.998 -11.733 -8.991 1.00 1.00 H new ATOM 0 HG SER A 41 -10.378 -12.693 -7.522 1.00 2.21 H new ATOM 624 N PHE A 42 -13.019 -11.334 -9.116 1.00 1.19 N ATOM 625 CA PHE A 42 -14.439 -11.508 -9.432 1.00 1.54 C ATOM 626 C PHE A 42 -15.118 -10.197 -9.816 1.00 1.68 C ATOM 627 O PHE A 42 -15.878 -10.170 -10.783 1.00 1.87 O ATOM 628 CB PHE A 42 -15.155 -12.128 -8.222 1.00 1.91 C ATOM 629 CG PHE A 42 -16.653 -11.909 -8.151 1.00 2.15 C ATOM 630 CD1 PHE A 42 -17.153 -10.738 -7.549 1.00 2.91 C ATOM 631 CD2 PHE A 42 -17.532 -12.784 -8.812 1.00 2.86 C ATOM 632 CE1 PHE A 42 -18.495 -10.372 -7.730 1.00 3.06 C ATOM 633 CE2 PHE A 42 -18.900 -12.473 -8.889 1.00 3.00 C ATOM 634 CZ PHE A 42 -19.379 -11.255 -8.375 1.00 2.55 C ATOM 0 H PHE A 42 -12.713 -11.972 -8.382 1.00 1.19 H new ATOM 0 HA PHE A 42 -14.506 -12.169 -10.296 1.00 1.54 H new ATOM 0 HB2 PHE A 42 -14.965 -13.201 -8.223 1.00 1.91 H new ATOM 0 HB3 PHE A 42 -14.706 -11.726 -7.314 1.00 1.91 H new ATOM 0 HD1 PHE A 42 -16.502 -10.121 -6.947 1.00 2.91 H new ATOM 0 HD2 PHE A 42 -17.157 -13.693 -9.259 1.00 2.86 H new ATOM 0 HE1 PHE A 42 -18.848 -9.415 -7.375 1.00 3.06 H new ATOM 0 HE2 PHE A 42 -19.586 -13.172 -9.345 1.00 3.00 H new ATOM 0 HZ PHE A 42 -20.423 -10.998 -8.475 1.00 2.55 H new ATOM 644 N ASP A 43 -14.874 -9.137 -9.029 1.00 1.75 N ATOM 645 CA ASP A 43 -15.475 -7.823 -9.186 1.00 2.07 C ATOM 646 C ASP A 43 -15.622 -7.471 -10.661 1.00 2.19 C ATOM 647 O ASP A 43 -16.728 -7.114 -11.079 1.00 2.88 O ATOM 648 CB ASP A 43 -14.639 -6.758 -8.459 1.00 2.02 C ATOM 649 CG ASP A 43 -15.178 -5.355 -8.695 1.00 2.04 C ATOM 650 OD1 ASP A 43 -16.325 -5.104 -8.279 1.00 2.91 O ATOM 651 OD2 ASP A 43 -14.481 -4.537 -9.332 1.00 2.18 O ATOM 0 H ASP A 43 -14.228 -9.184 -8.241 1.00 1.75 H new ATOM 0 HA ASP A 43 -16.469 -7.846 -8.739 1.00 2.07 H new ATOM 0 HB2 ASP A 43 -14.632 -6.969 -7.390 1.00 2.02 H new ATOM 0 HB3 ASP A 43 -13.605 -6.812 -8.801 1.00 2.02 H new ATOM 656 N LYS A 44 -14.491 -7.564 -11.384 1.00 1.69 N ATOM 657 CA LYS A 44 -14.271 -7.306 -12.809 1.00 1.76 C ATOM 658 C LYS A 44 -12.810 -6.886 -13.030 1.00 1.74 C ATOM 659 O LYS A 44 -12.548 -5.905 -13.725 1.00 2.10 O ATOM 660 CB LYS A 44 -15.258 -6.272 -13.392 1.00 2.15 C ATOM 661 CG LYS A 44 -15.259 -4.961 -12.588 1.00 2.72 C ATOM 662 CD LYS A 44 -16.562 -4.171 -12.752 1.00 2.97 C ATOM 663 CE LYS A 44 -16.946 -3.432 -11.463 1.00 4.53 C ATOM 664 NZ LYS A 44 -15.791 -2.794 -10.809 1.00 5.17 N ATOM 0 H LYS A 44 -13.623 -7.852 -10.933 1.00 1.69 H new ATOM 0 HA LYS A 44 -14.466 -8.230 -13.353 1.00 1.76 H new ATOM 0 HB2 LYS A 44 -14.993 -6.062 -14.428 1.00 2.15 H new ATOM 0 HB3 LYS A 44 -16.263 -6.694 -13.399 1.00 2.15 H new ATOM 0 HG2 LYS A 44 -15.105 -5.186 -11.533 1.00 2.72 H new ATOM 0 HG3 LYS A 44 -14.420 -4.342 -12.908 1.00 2.72 H new ATOM 0 HD2 LYS A 44 -16.452 -3.452 -13.564 1.00 2.97 H new ATOM 0 HD3 LYS A 44 -17.366 -4.850 -13.035 1.00 2.97 H new ATOM 0 HE2 LYS A 44 -17.693 -2.673 -11.693 1.00 4.53 H new ATOM 0 HE3 LYS A 44 -17.408 -4.135 -10.770 1.00 4.53 H new ATOM 0 HZ1 LYS A 44 -16.126 -2.073 -10.139 1.00 5.17 H new ATOM 0 HZ2 LYS A 44 -15.241 -3.513 -10.297 1.00 5.17 H new ATOM 0 HZ3 LYS A 44 -15.189 -2.345 -11.528 1.00 5.17 H new ATOM 678 N LEU A 45 -11.854 -7.605 -12.429 1.00 1.52 N ATOM 679 CA LEU A 45 -10.426 -7.348 -12.554 1.00 1.59 C ATOM 680 C LEU A 45 -9.727 -8.678 -12.890 1.00 1.57 C ATOM 681 O LEU A 45 -10.242 -9.737 -12.534 1.00 2.17 O ATOM 682 CB LEU A 45 -9.891 -6.681 -11.275 1.00 1.70 C ATOM 683 CG LEU A 45 -10.426 -5.243 -11.097 1.00 1.68 C ATOM 684 CD1 LEU A 45 -11.622 -5.183 -10.146 1.00 2.33 C ATOM 685 CD2 LEU A 45 -9.348 -4.299 -10.561 1.00 2.18 C ATOM 0 H LEU A 45 -12.065 -8.401 -11.828 1.00 1.52 H new ATOM 0 HA LEU A 45 -10.219 -6.646 -13.362 1.00 1.59 H new ATOM 0 HB2 LEU A 45 -10.173 -7.281 -10.410 1.00 1.70 H new ATOM 0 HB3 LEU A 45 -8.802 -6.660 -11.307 1.00 1.70 H new ATOM 0 HG LEU A 45 -10.738 -4.924 -12.092 1.00 1.68 H new ATOM 0 HD11 LEU A 45 -11.962 -4.151 -10.054 1.00 2.33 H new ATOM 0 HD12 LEU A 45 -12.431 -5.798 -10.540 1.00 2.33 H new ATOM 0 HD13 LEU A 45 -11.326 -5.557 -9.166 1.00 2.33 H new ATOM 0 HD21 LEU A 45 -9.764 -3.298 -10.450 1.00 2.18 H new ATOM 0 HD22 LEU A 45 -9.000 -4.657 -9.592 1.00 2.18 H new ATOM 0 HD23 LEU A 45 -8.511 -4.269 -11.259 1.00 2.18 H new ATOM 697 N PRO A 46 -8.614 -8.641 -13.642 1.00 1.26 N ATOM 698 CA PRO A 46 -8.028 -9.808 -14.298 1.00 1.38 C ATOM 699 C PRO A 46 -7.227 -10.696 -13.338 1.00 1.46 C ATOM 700 O PRO A 46 -7.276 -10.514 -12.127 1.00 1.73 O ATOM 701 CB PRO A 46 -7.129 -9.211 -15.393 1.00 1.70 C ATOM 702 CG PRO A 46 -6.687 -7.879 -14.798 1.00 1.87 C ATOM 703 CD PRO A 46 -7.952 -7.423 -14.079 1.00 1.54 C ATOM 0 HA PRO A 46 -8.798 -10.471 -14.693 1.00 1.38 H new ATOM 0 HB2 PRO A 46 -6.278 -9.856 -15.611 1.00 1.70 H new ATOM 0 HB3 PRO A 46 -7.672 -9.073 -16.328 1.00 1.70 H new ATOM 0 HG2 PRO A 46 -5.847 -7.996 -14.113 1.00 1.87 H new ATOM 0 HG3 PRO A 46 -6.376 -7.171 -15.566 1.00 1.87 H new ATOM 0 HD2 PRO A 46 -7.711 -6.782 -13.231 1.00 1.54 H new ATOM 0 HD3 PRO A 46 -8.594 -6.845 -14.744 1.00 1.54 H new ATOM 711 N GLU A 47 -6.463 -11.639 -13.906 1.00 1.87 N ATOM 712 CA GLU A 47 -5.437 -12.441 -13.241 1.00 2.35 C ATOM 713 C GLU A 47 -4.085 -11.705 -13.182 1.00 2.00 C ATOM 714 O GLU A 47 -3.279 -11.946 -12.289 1.00 2.86 O ATOM 715 CB GLU A 47 -5.282 -13.767 -14.003 1.00 3.17 C ATOM 716 CG GLU A 47 -5.172 -13.593 -15.530 1.00 3.39 C ATOM 717 CD GLU A 47 -4.544 -14.817 -16.182 1.00 4.38 C ATOM 718 OE1 GLU A 47 -5.307 -15.596 -16.791 1.00 5.19 O ATOM 719 OE2 GLU A 47 -3.306 -14.939 -16.062 1.00 4.88 O ATOM 0 H GLU A 47 -6.552 -11.872 -14.895 1.00 1.87 H new ATOM 0 HA GLU A 47 -5.749 -12.625 -12.213 1.00 2.35 H new ATOM 0 HB2 GLU A 47 -4.393 -14.283 -13.640 1.00 3.17 H new ATOM 0 HB3 GLU A 47 -6.136 -14.407 -13.779 1.00 3.17 H new ATOM 0 HG2 GLU A 47 -6.163 -13.422 -15.951 1.00 3.39 H new ATOM 0 HG3 GLU A 47 -4.573 -12.711 -15.755 1.00 3.39 H new ATOM 726 N GLY A 48 -3.848 -10.819 -14.157 1.00 1.40 N ATOM 727 CA GLY A 48 -2.595 -10.150 -14.492 1.00 1.62 C ATOM 728 C GLY A 48 -1.589 -9.916 -13.358 1.00 1.01 C ATOM 729 O GLY A 48 -1.856 -9.179 -12.410 1.00 2.09 O ATOM 0 H GLY A 48 -4.598 -10.530 -14.785 1.00 1.40 H new ATOM 0 HA2 GLY A 48 -2.098 -10.735 -15.266 1.00 1.62 H new ATOM 0 HA3 GLY A 48 -2.838 -9.182 -14.931 1.00 1.62 H new ATOM 733 N GLY A 49 -0.368 -10.435 -13.515 1.00 1.10 N ATOM 734 CA GLY A 49 0.676 -10.322 -12.503 1.00 1.12 C ATOM 735 C GLY A 49 1.335 -8.936 -12.391 1.00 1.11 C ATOM 736 O GLY A 49 2.505 -8.849 -12.023 1.00 1.96 O ATOM 0 H GLY A 49 -0.079 -10.945 -14.350 1.00 1.10 H new ATOM 0 HA2 GLY A 49 0.250 -10.583 -11.534 1.00 1.12 H new ATOM 0 HA3 GLY A 49 1.450 -11.058 -12.719 1.00 1.12 H new ATOM 740 N ARG A 50 0.643 -7.861 -12.781 1.00 0.89 N ATOM 741 CA ARG A 50 1.019 -6.467 -12.578 1.00 0.99 C ATOM 742 C ARG A 50 -0.254 -5.642 -12.691 1.00 1.04 C ATOM 743 O ARG A 50 -1.208 -6.096 -13.322 1.00 1.79 O ATOM 744 CB ARG A 50 2.126 -6.028 -13.546 1.00 1.40 C ATOM 745 CG ARG A 50 1.824 -6.297 -15.029 1.00 3.14 C ATOM 746 CD ARG A 50 3.015 -6.961 -15.737 1.00 3.70 C ATOM 747 NE ARG A 50 3.122 -8.395 -15.399 1.00 4.22 N ATOM 748 CZ ARG A 50 3.987 -8.977 -14.547 1.00 4.36 C ATOM 749 NH1 ARG A 50 4.914 -8.255 -13.906 1.00 4.24 N ATOM 750 NH2 ARG A 50 3.917 -10.296 -14.336 1.00 5.25 N ATOM 0 H ARG A 50 -0.245 -7.951 -13.275 1.00 0.89 H new ATOM 0 HA ARG A 50 1.456 -6.318 -11.591 1.00 0.99 H new ATOM 0 HB2 ARG A 50 2.304 -4.961 -13.413 1.00 1.40 H new ATOM 0 HB3 ARG A 50 3.049 -6.541 -13.278 1.00 1.40 H new ATOM 0 HG2 ARG A 50 0.947 -6.939 -15.112 1.00 3.14 H new ATOM 0 HG3 ARG A 50 1.581 -5.359 -15.527 1.00 3.14 H new ATOM 0 HD2 ARG A 50 2.906 -6.849 -16.816 1.00 3.70 H new ATOM 0 HD3 ARG A 50 3.936 -6.451 -15.455 1.00 3.70 H new ATOM 0 HE ARG A 50 2.463 -9.018 -15.866 1.00 4.22 H new ATOM 0 HH11 ARG A 50 4.973 -7.248 -14.060 1.00 4.24 H new ATOM 0 HH12 ARG A 50 5.562 -8.711 -13.264 1.00 4.24 H new ATOM 0 HH21 ARG A 50 3.212 -10.853 -14.819 1.00 5.25 H new ATOM 0 HH22 ARG A 50 4.569 -10.745 -13.692 1.00 5.25 H new ATOM 764 N ALA A 51 -0.284 -4.448 -12.091 1.00 1.10 N ATOM 765 CA ALA A 51 -1.441 -3.584 -12.152 1.00 1.04 C ATOM 766 C ALA A 51 -1.017 -2.133 -11.966 1.00 0.65 C ATOM 767 O ALA A 51 0.034 -1.867 -11.388 1.00 0.95 O ATOM 768 CB ALA A 51 -2.413 -3.980 -11.050 1.00 1.56 C ATOM 0 H ALA A 51 0.495 -4.065 -11.555 1.00 1.10 H new ATOM 0 HA ALA A 51 -1.923 -3.688 -13.124 1.00 1.04 H new ATOM 0 HB1 ALA A 51 -3.290 -3.333 -11.088 1.00 1.56 H new ATOM 0 HB2 ALA A 51 -2.720 -5.016 -11.191 1.00 1.56 H new ATOM 0 HB3 ALA A 51 -1.926 -3.875 -10.080 1.00 1.56 H new ATOM 774 N THR A 52 -1.849 -1.203 -12.431 1.00 0.72 N ATOM 775 CA THR A 52 -1.591 0.225 -12.332 1.00 0.79 C ATOM 776 C THR A 52 -1.951 0.723 -10.922 1.00 1.08 C ATOM 777 O THR A 52 -3.123 0.758 -10.557 1.00 1.92 O ATOM 778 CB THR A 52 -2.330 0.957 -13.470 1.00 1.12 C ATOM 779 OG1 THR A 52 -2.065 2.341 -13.370 1.00 1.62 O ATOM 780 CG2 THR A 52 -3.847 0.691 -13.551 1.00 1.20 C ATOM 0 H THR A 52 -2.731 -1.427 -12.892 1.00 0.72 H new ATOM 0 HA THR A 52 -0.531 0.443 -12.464 1.00 0.79 H new ATOM 0 HB THR A 52 -1.940 0.547 -14.402 1.00 1.12 H new ATOM 0 HG1 THR A 52 -2.529 2.816 -14.091 1.00 1.62 H new ATOM 0 HG21 THR A 52 -4.271 1.252 -14.384 1.00 1.20 H new ATOM 0 HG22 THR A 52 -4.022 -0.374 -13.704 1.00 1.20 H new ATOM 0 HG23 THR A 52 -4.322 1.006 -12.622 1.00 1.20 H new ATOM 788 N TYR A 53 -0.932 1.033 -10.109 1.00 1.02 N ATOM 789 CA TYR A 53 -1.035 1.469 -8.714 1.00 1.51 C ATOM 790 C TYR A 53 -0.088 2.662 -8.512 1.00 1.43 C ATOM 791 O TYR A 53 0.841 2.607 -7.713 1.00 1.91 O ATOM 792 CB TYR A 53 -0.684 0.307 -7.755 1.00 1.95 C ATOM 793 CG TYR A 53 -1.787 -0.696 -7.469 1.00 1.78 C ATOM 794 CD1 TYR A 53 -2.427 -1.378 -8.515 1.00 2.77 C ATOM 795 CD2 TYR A 53 -2.147 -0.998 -6.141 1.00 2.34 C ATOM 796 CE1 TYR A 53 -3.614 -2.082 -8.275 1.00 3.13 C ATOM 797 CE2 TYR A 53 -3.274 -1.797 -5.890 1.00 2.56 C ATOM 798 CZ TYR A 53 -4.070 -2.239 -6.958 1.00 2.59 C ATOM 799 OH TYR A 53 -5.271 -2.827 -6.710 1.00 3.35 O ATOM 0 H TYR A 53 0.036 0.983 -10.426 1.00 1.02 H new ATOM 0 HA TYR A 53 -2.057 1.774 -8.489 1.00 1.51 H new ATOM 0 HB2 TYR A 53 0.167 -0.232 -8.171 1.00 1.95 H new ATOM 0 HB3 TYR A 53 -0.358 0.735 -6.807 1.00 1.95 H new ATOM 0 HD1 TYR A 53 -2.003 -1.360 -9.508 1.00 2.77 H new ATOM 0 HD2 TYR A 53 -1.559 -0.617 -5.319 1.00 2.34 H new ATOM 0 HE1 TYR A 53 -4.174 -2.501 -9.098 1.00 3.13 H new ATOM 0 HE2 TYR A 53 -3.528 -2.071 -4.877 1.00 2.56 H new ATOM 0 HH TYR A 53 -5.328 -3.674 -7.200 1.00 3.35 H new ATOM 809 N ARG A 54 -0.289 3.744 -9.268 1.00 1.10 N ATOM 810 CA ARG A 54 0.596 4.906 -9.238 1.00 0.95 C ATOM 811 C ARG A 54 0.267 5.774 -8.024 1.00 0.77 C ATOM 812 O ARG A 54 -0.444 6.769 -8.176 1.00 0.96 O ATOM 813 CB ARG A 54 0.400 5.710 -10.533 1.00 1.26 C ATOM 814 CG ARG A 54 0.923 4.996 -11.786 1.00 1.44 C ATOM 815 CD ARG A 54 2.450 5.105 -11.891 1.00 1.84 C ATOM 816 NE ARG A 54 2.936 4.538 -13.159 1.00 2.83 N ATOM 817 CZ ARG A 54 4.156 4.753 -13.679 1.00 3.78 C ATOM 818 NH1 ARG A 54 5.056 5.467 -12.993 1.00 4.01 N ATOM 819 NH2 ARG A 54 4.471 4.254 -14.880 1.00 5.01 N ATOM 0 H ARG A 54 -1.070 3.837 -9.917 1.00 1.10 H new ATOM 0 HA ARG A 54 1.634 4.582 -9.163 1.00 0.95 H new ATOM 0 HB2 ARG A 54 -0.662 5.921 -10.662 1.00 1.26 H new ATOM 0 HB3 ARG A 54 0.906 6.670 -10.434 1.00 1.26 H new ATOM 0 HG2 ARG A 54 0.632 3.946 -11.757 1.00 1.44 H new ATOM 0 HG3 ARG A 54 0.463 5.430 -12.674 1.00 1.44 H new ATOM 0 HD2 ARG A 54 2.749 6.151 -11.819 1.00 1.84 H new ATOM 0 HD3 ARG A 54 2.913 4.582 -11.054 1.00 1.84 H new ATOM 0 HE ARG A 54 2.299 3.937 -13.682 1.00 2.83 H new ATOM 0 HH11 ARG A 54 4.815 5.847 -12.077 1.00 4.01 H new ATOM 0 HH12 ARG A 54 5.983 5.632 -13.386 1.00 4.01 H new ATOM 0 HH21 ARG A 54 3.784 3.710 -15.402 1.00 5.01 H new ATOM 0 HH22 ARG A 54 5.398 4.418 -15.273 1.00 5.01 H new ATOM 833 N GLY A 55 0.742 5.395 -6.830 1.00 0.93 N ATOM 834 CA GLY A 55 0.313 6.034 -5.589 1.00 0.92 C ATOM 835 C GLY A 55 1.400 6.806 -4.850 1.00 0.73 C ATOM 836 O GLY A 55 2.595 6.603 -5.061 1.00 0.83 O ATOM 0 H GLY A 55 1.424 4.648 -6.702 1.00 0.93 H new ATOM 0 HA2 GLY A 55 -0.506 6.717 -5.814 1.00 0.92 H new ATOM 0 HA3 GLY A 55 -0.084 5.268 -4.923 1.00 0.92 H new ATOM 840 N THR A 56 0.964 7.690 -3.953 1.00 0.61 N ATOM 841 CA THR A 56 1.799 8.539 -3.119 1.00 0.69 C ATOM 842 C THR A 56 1.438 8.270 -1.658 1.00 0.62 C ATOM 843 O THR A 56 0.397 8.740 -1.202 1.00 0.91 O ATOM 844 CB THR A 56 1.532 10.007 -3.487 1.00 0.96 C ATOM 845 OG1 THR A 56 0.142 10.259 -3.451 1.00 2.02 O ATOM 846 CG2 THR A 56 2.052 10.335 -4.889 1.00 2.01 C ATOM 0 H THR A 56 -0.031 7.837 -3.784 1.00 0.61 H new ATOM 0 HA THR A 56 2.858 8.329 -3.272 1.00 0.69 H new ATOM 0 HB THR A 56 2.055 10.633 -2.763 1.00 0.96 H new ATOM 0 HG1 THR A 56 -0.249 9.822 -2.666 1.00 2.02 H new ATOM 0 HG21 THR A 56 1.847 11.381 -5.118 1.00 2.01 H new ATOM 0 HG22 THR A 56 3.127 10.159 -4.929 1.00 2.01 H new ATOM 0 HG23 THR A 56 1.553 9.699 -5.620 1.00 2.01 H new ATOM 854 N ALA A 57 2.278 7.520 -0.941 1.00 0.83 N ATOM 855 CA ALA A 57 2.128 7.255 0.481 1.00 0.82 C ATOM 856 C ALA A 57 2.764 8.407 1.252 1.00 0.90 C ATOM 857 O ALA A 57 3.946 8.355 1.592 1.00 1.15 O ATOM 858 CB ALA A 57 2.746 5.893 0.814 1.00 0.87 C ATOM 0 H ALA A 57 3.099 7.072 -1.348 1.00 0.83 H new ATOM 0 HA ALA A 57 1.079 7.200 0.771 1.00 0.82 H new ATOM 0 HB1 ALA A 57 2.634 5.693 1.880 1.00 0.87 H new ATOM 0 HB2 ALA A 57 2.239 5.114 0.244 1.00 0.87 H new ATOM 0 HB3 ALA A 57 3.805 5.901 0.556 1.00 0.87 H new ATOM 864 N PHE A 58 1.982 9.463 1.477 1.00 0.79 N ATOM 865 CA PHE A 58 2.462 10.731 2.003 1.00 0.86 C ATOM 866 C PHE A 58 2.292 10.763 3.526 1.00 0.77 C ATOM 867 O PHE A 58 1.269 10.335 4.062 1.00 0.71 O ATOM 868 CB PHE A 58 1.810 11.906 1.267 1.00 1.00 C ATOM 869 CG PHE A 58 0.395 12.221 1.709 1.00 0.95 C ATOM 870 CD1 PHE A 58 0.191 13.154 2.743 1.00 2.02 C ATOM 871 CD2 PHE A 58 -0.697 11.512 1.177 1.00 2.12 C ATOM 872 CE1 PHE A 58 -1.091 13.334 3.284 1.00 2.27 C ATOM 873 CE2 PHE A 58 -1.986 11.713 1.703 1.00 2.02 C ATOM 874 CZ PHE A 58 -2.181 12.613 2.765 1.00 1.26 C ATOM 0 H PHE A 58 0.979 9.456 1.294 1.00 0.79 H new ATOM 0 HA PHE A 58 3.531 10.835 1.816 1.00 0.86 H new ATOM 0 HB2 PHE A 58 2.427 12.793 1.409 1.00 1.00 H new ATOM 0 HB3 PHE A 58 1.803 11.690 0.199 1.00 1.00 H new ATOM 0 HD1 PHE A 58 1.022 13.732 3.120 1.00 2.02 H new ATOM 0 HD2 PHE A 58 -0.546 10.815 0.366 1.00 2.12 H new ATOM 0 HE1 PHE A 58 -1.241 14.026 4.099 1.00 2.27 H new ATOM 0 HE2 PHE A 58 -2.827 11.175 1.290 1.00 2.02 H new ATOM 0 HZ PHE A 58 -3.168 12.751 3.182 1.00 1.26 H new ATOM 884 N GLY A 59 3.327 11.220 4.232 1.00 0.84 N ATOM 885 CA GLY A 59 3.352 11.231 5.685 1.00 0.85 C ATOM 886 C GLY A 59 2.553 12.410 6.227 1.00 0.93 C ATOM 887 O GLY A 59 2.403 13.418 5.544 1.00 1.05 O ATOM 0 H GLY A 59 4.174 11.594 3.804 1.00 0.84 H new ATOM 0 HA2 GLY A 59 2.939 10.298 6.068 1.00 0.85 H new ATOM 0 HA3 GLY A 59 4.382 11.291 6.036 1.00 0.85 H new ATOM 891 N SER A 60 2.133 12.358 7.493 1.00 0.98 N ATOM 892 CA SER A 60 1.669 13.562 8.178 1.00 1.16 C ATOM 893 C SER A 60 2.767 14.642 8.257 1.00 1.26 C ATOM 894 O SER A 60 2.442 15.811 8.445 1.00 1.48 O ATOM 895 CB SER A 60 1.139 13.211 9.571 1.00 1.18 C ATOM 896 OG SER A 60 0.472 14.324 10.135 1.00 1.69 O ATOM 0 H SER A 60 2.105 11.508 8.056 1.00 0.98 H new ATOM 0 HA SER A 60 0.853 13.983 7.591 1.00 1.16 H new ATOM 0 HB2 SER A 60 0.456 12.364 9.505 1.00 1.18 H new ATOM 0 HB3 SER A 60 1.964 12.907 10.216 1.00 1.18 H new ATOM 0 HG SER A 60 0.880 15.152 9.805 1.00 1.69 H new ATOM 902 N ASP A 61 4.044 14.249 8.142 1.00 1.23 N ATOM 903 CA ASP A 61 5.212 15.134 8.032 1.00 1.44 C ATOM 904 C ASP A 61 5.511 15.473 6.559 1.00 1.29 C ATOM 905 O ASP A 61 6.505 16.125 6.253 1.00 1.36 O ATOM 906 CB ASP A 61 6.407 14.394 8.677 1.00 1.69 C ATOM 907 CG ASP A 61 7.713 15.196 8.745 1.00 2.12 C ATOM 908 OD1 ASP A 61 8.774 14.634 8.367 1.00 3.21 O ATOM 909 OD2 ASP A 61 7.647 16.337 9.246 1.00 2.17 O ATOM 0 H ASP A 61 4.302 13.262 8.122 1.00 1.23 H new ATOM 0 HA ASP A 61 5.023 16.079 8.541 1.00 1.44 H new ATOM 0 HB2 ASP A 61 6.128 14.099 9.688 1.00 1.69 H new ATOM 0 HB3 ASP A 61 6.591 13.477 8.117 1.00 1.69 H new ATOM 914 N ASP A 62 4.732 14.908 5.624 1.00 1.17 N ATOM 915 CA ASP A 62 5.037 14.764 4.200 1.00 1.08 C ATOM 916 C ASP A 62 6.383 14.098 3.905 1.00 1.26 C ATOM 917 O ASP A 62 6.785 13.958 2.750 1.00 1.86 O ATOM 918 CB ASP A 62 4.777 16.057 3.410 1.00 1.34 C ATOM 919 CG ASP A 62 3.365 16.087 2.838 1.00 1.98 C ATOM 920 OD1 ASP A 62 3.044 15.147 2.077 1.00 2.38 O ATOM 921 OD2 ASP A 62 2.634 17.047 3.163 1.00 3.42 O ATOM 0 H ASP A 62 3.820 14.518 5.860 1.00 1.17 H new ATOM 0 HA ASP A 62 4.317 14.041 3.818 1.00 1.08 H new ATOM 0 HB2 ASP A 62 4.925 16.919 4.061 1.00 1.34 H new ATOM 0 HB3 ASP A 62 5.501 16.141 2.600 1.00 1.34 H new ATOM 926 N ALA A 63 7.028 13.534 4.926 1.00 1.10 N ATOM 927 CA ALA A 63 8.163 12.645 4.782 1.00 1.10 C ATOM 928 C ALA A 63 7.645 11.262 4.418 1.00 0.92 C ATOM 929 O ALA A 63 7.842 10.293 5.147 1.00 0.89 O ATOM 930 CB ALA A 63 8.917 12.630 6.099 1.00 1.22 C ATOM 0 H ALA A 63 6.763 13.692 5.898 1.00 1.10 H new ATOM 0 HA ALA A 63 8.841 12.975 3.995 1.00 1.10 H new ATOM 0 HB1 ALA A 63 9.778 11.967 6.018 1.00 1.22 H new ATOM 0 HB2 ALA A 63 9.257 13.638 6.335 1.00 1.22 H new ATOM 0 HB3 ALA A 63 8.258 12.274 6.891 1.00 1.22 H new ATOM 936 N GLY A 64 6.961 11.198 3.282 1.00 0.94 N ATOM 937 CA GLY A 64 6.361 10.001 2.745 1.00 0.93 C ATOM 938 C GLY A 64 7.045 9.632 1.429 1.00 0.94 C ATOM 939 O GLY A 64 7.981 10.303 0.996 1.00 1.22 O ATOM 0 H GLY A 64 6.808 12.016 2.692 1.00 0.94 H new ATOM 0 HA2 GLY A 64 6.457 9.182 3.458 1.00 0.93 H new ATOM 0 HA3 GLY A 64 5.295 10.158 2.581 1.00 0.93 H new ATOM 943 N GLY A 65 6.617 8.530 0.821 1.00 0.94 N ATOM 944 CA GLY A 65 7.242 7.948 -0.357 1.00 0.99 C ATOM 945 C GLY A 65 6.198 7.433 -1.340 1.00 0.91 C ATOM 946 O GLY A 65 4.996 7.515 -1.109 1.00 1.10 O ATOM 0 H GLY A 65 5.804 8.005 1.144 1.00 0.94 H new ATOM 0 HA2 GLY A 65 7.868 8.695 -0.846 1.00 0.99 H new ATOM 0 HA3 GLY A 65 7.897 7.130 -0.057 1.00 0.99 H new ATOM 950 N LYS A 66 6.665 6.940 -2.484 1.00 0.92 N ATOM 951 CA LYS A 66 5.800 6.559 -3.588 1.00 0.95 C ATOM 952 C LYS A 66 5.326 5.125 -3.388 1.00 0.88 C ATOM 953 O LYS A 66 6.158 4.219 -3.307 1.00 1.31 O ATOM 954 CB LYS A 66 6.579 6.663 -4.903 1.00 1.23 C ATOM 955 CG LYS A 66 7.195 8.052 -5.119 1.00 1.45 C ATOM 956 CD LYS A 66 8.631 7.958 -5.669 1.00 1.87 C ATOM 957 CE LYS A 66 9.666 7.419 -4.661 1.00 2.26 C ATOM 958 NZ LYS A 66 10.002 5.985 -4.816 1.00 3.77 N ATOM 0 H LYS A 66 7.658 6.795 -2.668 1.00 0.92 H new ATOM 0 HA LYS A 66 4.937 7.224 -3.623 1.00 0.95 H new ATOM 0 HB2 LYS A 66 7.371 5.914 -4.912 1.00 1.23 H new ATOM 0 HB3 LYS A 66 5.913 6.432 -5.734 1.00 1.23 H new ATOM 0 HG2 LYS A 66 6.576 8.621 -5.813 1.00 1.45 H new ATOM 0 HG3 LYS A 66 7.201 8.598 -4.176 1.00 1.45 H new ATOM 0 HD2 LYS A 66 8.629 7.314 -6.548 1.00 1.87 H new ATOM 0 HD3 LYS A 66 8.946 8.948 -6.000 1.00 1.87 H new ATOM 0 HE2 LYS A 66 10.581 8.003 -4.755 1.00 2.26 H new ATOM 0 HE3 LYS A 66 9.287 7.581 -3.652 1.00 2.26 H new ATOM 0 HZ1 LYS A 66 10.869 5.772 -4.283 1.00 3.77 H new ATOM 0 HZ2 LYS A 66 9.220 5.404 -4.452 1.00 3.77 H new ATOM 0 HZ3 LYS A 66 10.153 5.771 -5.822 1.00 3.77 H new ATOM 972 N LEU A 67 4.014 4.892 -3.438 1.00 0.71 N ATOM 973 CA LEU A 67 3.504 3.536 -3.511 1.00 0.72 C ATOM 974 C LEU A 67 3.765 3.121 -4.953 1.00 0.69 C ATOM 975 O LEU A 67 2.975 3.389 -5.856 1.00 1.06 O ATOM 976 CB LEU A 67 2.010 3.464 -3.169 1.00 0.75 C ATOM 977 CG LEU A 67 1.519 2.004 -3.213 1.00 0.78 C ATOM 978 CD1 LEU A 67 1.594 1.358 -1.828 1.00 0.92 C ATOM 979 CD2 LEU A 67 0.088 1.911 -3.737 1.00 0.93 C ATOM 0 H LEU A 67 3.299 5.619 -3.429 1.00 0.71 H new ATOM 0 HA LEU A 67 3.987 2.877 -2.790 1.00 0.72 H new ATOM 0 HB2 LEU A 67 1.837 3.883 -2.178 1.00 0.75 H new ATOM 0 HB3 LEU A 67 1.439 4.068 -3.875 1.00 0.75 H new ATOM 0 HG LEU A 67 2.178 1.467 -3.896 1.00 0.78 H new ATOM 0 HD11 LEU A 67 1.242 0.328 -1.887 1.00 0.92 H new ATOM 0 HD12 LEU A 67 2.626 1.369 -1.477 1.00 0.92 H new ATOM 0 HD13 LEU A 67 0.968 1.916 -1.132 1.00 0.92 H new ATOM 0 HD21 LEU A 67 -0.226 0.867 -3.755 1.00 0.93 H new ATOM 0 HD22 LEU A 67 -0.576 2.479 -3.085 1.00 0.93 H new ATOM 0 HD23 LEU A 67 0.043 2.321 -4.746 1.00 0.93 H new ATOM 991 N THR A 68 4.941 2.532 -5.157 1.00 0.55 N ATOM 992 CA THR A 68 5.443 2.218 -6.476 1.00 0.70 C ATOM 993 C THR A 68 4.740 0.944 -6.948 1.00 0.89 C ATOM 994 O THR A 68 4.594 0.001 -6.175 1.00 1.22 O ATOM 995 CB THR A 68 6.973 2.115 -6.386 1.00 1.02 C ATOM 996 OG1 THR A 68 7.497 3.269 -5.735 1.00 2.33 O ATOM 997 CG2 THR A 68 7.586 2.027 -7.786 1.00 1.38 C ATOM 0 H THR A 68 5.570 2.261 -4.401 1.00 0.55 H new ATOM 0 HA THR A 68 5.230 2.985 -7.220 1.00 0.70 H new ATOM 0 HB THR A 68 7.223 1.217 -5.820 1.00 1.02 H new ATOM 0 HG1 THR A 68 7.060 3.381 -4.865 1.00 2.33 H new ATOM 0 HG21 THR A 68 8.671 1.955 -7.704 1.00 1.38 H new ATOM 0 HG22 THR A 68 7.201 1.145 -8.297 1.00 1.38 H new ATOM 0 HG23 THR A 68 7.324 2.919 -8.355 1.00 1.38 H new ATOM 1005 N TYR A 69 4.243 0.928 -8.189 1.00 0.79 N ATOM 1006 CA TYR A 69 3.136 0.044 -8.522 1.00 0.77 C ATOM 1007 C TYR A 69 3.612 -1.399 -8.657 1.00 0.74 C ATOM 1008 O TYR A 69 4.433 -1.715 -9.515 1.00 0.78 O ATOM 1009 CB TYR A 69 2.419 0.504 -9.804 1.00 0.73 C ATOM 1010 CG TYR A 69 3.205 0.430 -11.104 1.00 0.66 C ATOM 1011 CD1 TYR A 69 3.057 -0.692 -11.943 1.00 1.83 C ATOM 1012 CD2 TYR A 69 4.080 1.466 -11.479 1.00 1.81 C ATOM 1013 CE1 TYR A 69 3.777 -0.783 -13.143 1.00 2.03 C ATOM 1014 CE2 TYR A 69 4.831 1.358 -12.664 1.00 1.74 C ATOM 1015 CZ TYR A 69 4.685 0.230 -13.490 1.00 0.95 C ATOM 1016 OH TYR A 69 5.414 0.117 -14.636 1.00 1.25 O ATOM 0 H TYR A 69 4.584 1.504 -8.959 1.00 0.79 H new ATOM 0 HA TYR A 69 2.418 0.091 -7.703 1.00 0.77 H new ATOM 0 HB2 TYR A 69 1.516 -0.096 -9.920 1.00 0.73 H new ATOM 0 HB3 TYR A 69 2.099 1.536 -9.661 1.00 0.73 H new ATOM 0 HD1 TYR A 69 2.384 -1.488 -11.660 1.00 1.83 H new ATOM 0 HD2 TYR A 69 4.175 2.344 -10.857 1.00 1.81 H new ATOM 0 HE1 TYR A 69 3.633 -1.630 -13.798 1.00 2.03 H new ATOM 0 HE2 TYR A 69 5.520 2.143 -12.939 1.00 1.74 H new ATOM 0 HH TYR A 69 5.995 0.901 -14.733 1.00 1.25 H new ATOM 1026 N THR A 70 3.113 -2.281 -7.791 1.00 0.72 N ATOM 1027 CA THR A 70 3.342 -3.712 -7.869 1.00 0.73 C ATOM 1028 C THR A 70 2.203 -4.424 -7.139 1.00 0.71 C ATOM 1029 O THR A 70 2.021 -4.253 -5.933 1.00 0.83 O ATOM 1030 CB THR A 70 4.703 -4.053 -7.245 1.00 0.93 C ATOM 1031 OG1 THR A 70 5.765 -3.616 -8.070 1.00 1.24 O ATOM 1032 CG2 THR A 70 4.903 -5.560 -7.043 1.00 0.95 C ATOM 0 H THR A 70 2.527 -2.009 -7.002 1.00 0.72 H new ATOM 0 HA THR A 70 3.360 -4.042 -8.908 1.00 0.73 H new ATOM 0 HB THR A 70 4.708 -3.545 -6.280 1.00 0.93 H new ATOM 0 HG1 THR A 70 5.421 -2.993 -8.744 1.00 1.24 H new ATOM 0 HG21 THR A 70 5.882 -5.741 -6.599 1.00 0.95 H new ATOM 0 HG22 THR A 70 4.128 -5.944 -6.380 1.00 0.95 H new ATOM 0 HG23 THR A 70 4.842 -6.067 -8.006 1.00 0.95 H new ATOM 1040 N ILE A 71 1.447 -5.240 -7.874 1.00 0.80 N ATOM 1041 CA ILE A 71 0.564 -6.255 -7.331 1.00 0.87 C ATOM 1042 C ILE A 71 0.714 -7.445 -8.280 1.00 1.13 C ATOM 1043 O ILE A 71 1.189 -7.252 -9.397 1.00 1.80 O ATOM 1044 CB ILE A 71 -0.898 -5.746 -7.228 1.00 0.96 C ATOM 1045 CG1 ILE A 71 -1.803 -6.234 -8.370 1.00 1.37 C ATOM 1046 CG2 ILE A 71 -1.001 -4.214 -7.151 1.00 1.14 C ATOM 1047 CD1 ILE A 71 -3.231 -5.719 -8.233 1.00 1.21 C ATOM 0 H ILE A 71 1.437 -5.206 -8.893 1.00 0.80 H new ATOM 0 HA ILE A 71 0.823 -6.530 -6.309 1.00 0.87 H new ATOM 0 HB ILE A 71 -1.251 -6.178 -6.292 1.00 0.96 H new ATOM 0 HG12 ILE A 71 -1.390 -5.906 -9.324 1.00 1.37 H new ATOM 0 HG13 ILE A 71 -1.811 -7.324 -8.384 1.00 1.37 H new ATOM 0 HG21 ILE A 71 -2.049 -3.923 -7.081 1.00 1.14 H new ATOM 0 HG22 ILE A 71 -0.465 -3.857 -6.271 1.00 1.14 H new ATOM 0 HG23 ILE A 71 -0.562 -3.774 -8.046 1.00 1.14 H new ATOM 0 HD11 ILE A 71 -3.833 -6.090 -9.063 1.00 1.21 H new ATOM 0 HD12 ILE A 71 -3.655 -6.069 -7.292 1.00 1.21 H new ATOM 0 HD13 ILE A 71 -3.228 -4.629 -8.246 1.00 1.21 H new ATOM 1059 N ASP A 72 0.266 -8.632 -7.876 1.00 0.73 N ATOM 1060 CA ASP A 72 -0.129 -9.674 -8.814 1.00 0.70 C ATOM 1061 C ASP A 72 -1.624 -9.855 -8.617 1.00 0.70 C ATOM 1062 O ASP A 72 -2.026 -10.053 -7.473 1.00 0.91 O ATOM 1063 CB ASP A 72 0.630 -10.970 -8.520 1.00 0.81 C ATOM 1064 CG ASP A 72 0.143 -12.110 -9.405 1.00 2.36 C ATOM 1065 OD1 ASP A 72 -1.062 -12.433 -9.302 1.00 3.50 O ATOM 1066 OD2 ASP A 72 0.975 -12.610 -10.190 1.00 3.41 O ATOM 0 H ASP A 72 0.168 -8.895 -6.895 1.00 0.73 H new ATOM 0 HA ASP A 72 0.103 -9.406 -9.845 1.00 0.70 H new ATOM 0 HB2 ASP A 72 1.697 -10.813 -8.680 1.00 0.81 H new ATOM 0 HB3 ASP A 72 0.501 -11.240 -7.472 1.00 0.81 H new ATOM 1071 N PHE A 73 -2.453 -9.705 -9.654 1.00 0.75 N ATOM 1072 CA PHE A 73 -3.897 -9.687 -9.463 1.00 0.81 C ATOM 1073 C PHE A 73 -4.460 -10.986 -8.887 1.00 1.01 C ATOM 1074 O PHE A 73 -5.554 -10.946 -8.327 1.00 1.25 O ATOM 1075 CB PHE A 73 -4.650 -9.327 -10.748 1.00 0.82 C ATOM 1076 CG PHE A 73 -5.087 -7.887 -10.854 1.00 1.16 C ATOM 1077 CD1 PHE A 73 -6.052 -7.399 -9.956 1.00 2.95 C ATOM 1078 CD2 PHE A 73 -4.569 -7.047 -11.854 1.00 1.32 C ATOM 1079 CE1 PHE A 73 -6.378 -6.036 -9.957 1.00 3.62 C ATOM 1080 CE2 PHE A 73 -5.022 -5.720 -11.952 1.00 1.50 C ATOM 1081 CZ PHE A 73 -5.871 -5.194 -10.963 1.00 2.50 C ATOM 0 H PHE A 73 -2.149 -9.596 -10.622 1.00 0.75 H new ATOM 0 HA PHE A 73 -4.061 -8.904 -8.723 1.00 0.81 H new ATOM 0 HB2 PHE A 73 -4.013 -9.560 -11.601 1.00 0.82 H new ATOM 0 HB3 PHE A 73 -5.531 -9.964 -10.824 1.00 0.82 H new ATOM 0 HD1 PHE A 73 -6.541 -8.072 -9.267 1.00 2.95 H new ATOM 0 HD2 PHE A 73 -3.826 -7.419 -12.544 1.00 1.32 H new ATOM 0 HE1 PHE A 73 -7.018 -5.633 -9.186 1.00 3.62 H new ATOM 0 HE2 PHE A 73 -4.718 -5.105 -12.786 1.00 1.50 H new ATOM 0 HZ PHE A 73 -6.133 -4.146 -10.976 1.00 2.50 H new ATOM 1091 N ALA A 74 -3.772 -12.123 -9.025 1.00 1.05 N ATOM 1092 CA ALA A 74 -4.353 -13.408 -8.664 1.00 1.20 C ATOM 1093 C ALA A 74 -4.763 -13.425 -7.186 1.00 1.19 C ATOM 1094 O ALA A 74 -5.867 -13.850 -6.849 1.00 1.39 O ATOM 1095 CB ALA A 74 -3.365 -14.520 -9.019 1.00 1.32 C ATOM 0 H ALA A 74 -2.818 -12.174 -9.382 1.00 1.05 H new ATOM 0 HA ALA A 74 -5.267 -13.578 -9.232 1.00 1.20 H new ATOM 0 HB1 ALA A 74 -3.793 -15.486 -8.751 1.00 1.32 H new ATOM 0 HB2 ALA A 74 -3.161 -14.497 -10.090 1.00 1.32 H new ATOM 0 HB3 ALA A 74 -2.436 -14.370 -8.469 1.00 1.32 H new ATOM 1101 N ALA A 75 -3.884 -12.913 -6.317 1.00 1.12 N ATOM 1102 CA ALA A 75 -4.162 -12.699 -4.890 1.00 1.16 C ATOM 1103 C ALA A 75 -4.126 -11.217 -4.493 1.00 0.98 C ATOM 1104 O ALA A 75 -4.548 -10.855 -3.394 1.00 1.20 O ATOM 1105 CB ALA A 75 -3.231 -13.541 -4.017 1.00 1.34 C ATOM 0 H ALA A 75 -2.943 -12.630 -6.589 1.00 1.12 H new ATOM 0 HA ALA A 75 -5.184 -13.034 -4.714 1.00 1.16 H new ATOM 0 HB1 ALA A 75 -3.458 -13.363 -2.966 1.00 1.34 H new ATOM 0 HB2 ALA A 75 -3.374 -14.597 -4.246 1.00 1.34 H new ATOM 0 HB3 ALA A 75 -2.196 -13.264 -4.216 1.00 1.34 H new ATOM 1111 N LYS A 76 -3.668 -10.347 -5.401 1.00 0.74 N ATOM 1112 CA LYS A 76 -3.838 -8.909 -5.334 1.00 0.68 C ATOM 1113 C LYS A 76 -3.102 -8.348 -4.120 1.00 0.82 C ATOM 1114 O LYS A 76 -3.600 -7.555 -3.329 1.00 1.26 O ATOM 1115 CB LYS A 76 -5.335 -8.649 -5.459 1.00 0.86 C ATOM 1116 CG LYS A 76 -5.780 -7.268 -5.941 1.00 1.33 C ATOM 1117 CD LYS A 76 -5.570 -6.153 -4.907 1.00 2.21 C ATOM 1118 CE LYS A 76 -6.623 -5.044 -4.980 1.00 3.09 C ATOM 1119 NZ LYS A 76 -7.892 -5.453 -4.348 1.00 4.12 N ATOM 0 H LYS A 76 -3.152 -10.646 -6.228 1.00 0.74 H new ATOM 0 HA LYS A 76 -3.371 -8.355 -6.148 1.00 0.68 H new ATOM 0 HB2 LYS A 76 -5.748 -9.391 -6.142 1.00 0.86 H new ATOM 0 HB3 LYS A 76 -5.788 -8.826 -4.484 1.00 0.86 H new ATOM 0 HG2 LYS A 76 -5.232 -7.016 -6.849 1.00 1.33 H new ATOM 0 HG3 LYS A 76 -6.836 -7.309 -6.207 1.00 1.33 H new ATOM 0 HD2 LYS A 76 -5.582 -6.588 -3.908 1.00 2.21 H new ATOM 0 HD3 LYS A 76 -4.582 -5.715 -5.052 1.00 2.21 H new ATOM 0 HE2 LYS A 76 -6.243 -4.149 -4.487 1.00 3.09 H new ATOM 0 HE3 LYS A 76 -6.804 -4.782 -6.022 1.00 3.09 H new ATOM 0 HZ1 LYS A 76 -8.513 -4.625 -4.249 1.00 4.12 H new ATOM 0 HZ2 LYS A 76 -8.360 -6.168 -4.940 1.00 4.12 H new ATOM 0 HZ3 LYS A 76 -7.698 -5.854 -3.408 1.00 4.12 H new ATOM 1133 N GLN A 77 -1.840 -8.743 -4.020 1.00 0.67 N ATOM 1134 CA GLN A 77 -0.975 -8.453 -2.893 1.00 0.76 C ATOM 1135 C GLN A 77 -0.344 -7.068 -3.046 1.00 0.88 C ATOM 1136 O GLN A 77 0.877 -6.906 -3.020 1.00 1.63 O ATOM 1137 CB GLN A 77 0.039 -9.589 -2.693 1.00 1.09 C ATOM 1138 CG GLN A 77 0.684 -10.107 -3.991 1.00 1.07 C ATOM 1139 CD GLN A 77 0.053 -11.428 -4.443 1.00 1.04 C ATOM 1140 OE1 GLN A 77 0.400 -12.474 -3.909 1.00 1.67 O ATOM 1141 NE2 GLN A 77 -0.873 -11.439 -5.406 1.00 1.05 N ATOM 0 H GLN A 77 -1.379 -9.291 -4.746 1.00 0.67 H new ATOM 0 HA GLN A 77 -1.560 -8.411 -1.975 1.00 0.76 H new ATOM 0 HB2 GLN A 77 0.827 -9.242 -2.025 1.00 1.09 H new ATOM 0 HB3 GLN A 77 -0.460 -10.420 -2.194 1.00 1.09 H new ATOM 0 HG2 GLN A 77 0.571 -9.361 -4.778 1.00 1.07 H new ATOM 0 HG3 GLN A 77 1.754 -10.248 -3.836 1.00 1.07 H new ATOM 0 HE21 GLN A 77 -1.159 -10.566 -5.848 1.00 1.05 H new ATOM 0 HE22 GLN A 77 -1.294 -12.321 -5.699 1.00 1.05 H new ATOM 1150 N GLY A 78 -1.202 -6.069 -3.249 1.00 0.96 N ATOM 1151 CA GLY A 78 -0.808 -4.778 -3.783 1.00 1.27 C ATOM 1152 C GLY A 78 0.014 -3.979 -2.786 1.00 1.01 C ATOM 1153 O GLY A 78 -0.506 -3.580 -1.746 1.00 1.13 O ATOM 0 H GLY A 78 -2.199 -6.140 -3.043 1.00 0.96 H new ATOM 0 HA2 GLY A 78 -0.230 -4.924 -4.696 1.00 1.27 H new ATOM 0 HA3 GLY A 78 -1.698 -4.211 -4.056 1.00 1.27 H new ATOM 1157 N ASN A 79 1.295 -3.752 -3.091 1.00 0.85 N ATOM 1158 CA ASN A 79 2.232 -3.146 -2.156 1.00 0.82 C ATOM 1159 C ASN A 79 3.311 -2.412 -2.937 1.00 0.90 C ATOM 1160 O ASN A 79 3.673 -2.832 -4.034 1.00 1.39 O ATOM 1161 CB ASN A 79 2.829 -4.219 -1.234 1.00 0.88 C ATOM 1162 CG ASN A 79 1.808 -4.650 -0.185 1.00 1.25 C ATOM 1163 OD1 ASN A 79 1.601 -3.956 0.803 1.00 2.92 O ATOM 1164 ND2 ASN A 79 1.120 -5.764 -0.419 1.00 1.38 N ATOM 0 H ASN A 79 1.706 -3.985 -3.995 1.00 0.85 H new ATOM 0 HA ASN A 79 1.714 -2.425 -1.523 1.00 0.82 H new ATOM 0 HB2 ASN A 79 3.140 -5.082 -1.824 1.00 0.88 H new ATOM 0 HB3 ASN A 79 3.721 -3.830 -0.743 1.00 0.88 H new ATOM 0 HD21 ASN A 79 0.395 -6.063 0.234 1.00 1.38 H new ATOM 0 HD22 ASN A 79 1.317 -6.320 -1.251 1.00 1.38 H new ATOM 1171 N GLY A 80 3.793 -1.295 -2.391 1.00 0.74 N ATOM 1172 CA GLY A 80 4.697 -0.402 -3.091 1.00 0.78 C ATOM 1173 C GLY A 80 5.541 0.378 -2.099 1.00 0.84 C ATOM 1174 O GLY A 80 5.017 1.123 -1.279 1.00 1.20 O ATOM 0 H GLY A 80 3.562 -0.989 -1.446 1.00 0.74 H new ATOM 0 HA2 GLY A 80 5.343 -0.975 -3.756 1.00 0.78 H new ATOM 0 HA3 GLY A 80 4.128 0.287 -3.715 1.00 0.78 H new ATOM 1178 N LYS A 81 6.853 0.199 -2.165 1.00 0.77 N ATOM 1179 CA LYS A 81 7.732 0.552 -1.064 1.00 0.78 C ATOM 1180 C LYS A 81 7.981 2.059 -0.986 1.00 0.85 C ATOM 1181 O LYS A 81 8.208 2.726 -1.997 1.00 1.08 O ATOM 1182 CB LYS A 81 9.036 -0.237 -1.171 1.00 0.96 C ATOM 1183 CG LYS A 81 9.888 0.078 -2.404 1.00 1.44 C ATOM 1184 CD LYS A 81 11.200 -0.698 -2.258 1.00 2.16 C ATOM 1185 CE LYS A 81 12.204 -0.305 -3.346 1.00 3.03 C ATOM 1186 NZ LYS A 81 13.595 -0.586 -2.938 1.00 4.12 N ATOM 0 H LYS A 81 7.333 -0.191 -2.976 1.00 0.77 H new ATOM 0 HA LYS A 81 7.238 0.281 -0.131 1.00 0.78 H new ATOM 0 HB2 LYS A 81 9.632 -0.046 -0.279 1.00 0.96 H new ATOM 0 HB3 LYS A 81 8.799 -1.301 -1.175 1.00 0.96 H new ATOM 0 HG2 LYS A 81 9.368 -0.214 -3.316 1.00 1.44 H new ATOM 0 HG3 LYS A 81 10.080 1.149 -2.476 1.00 1.44 H new ATOM 0 HD2 LYS A 81 11.631 -0.505 -1.276 1.00 2.16 H new ATOM 0 HD3 LYS A 81 11.000 -1.768 -2.314 1.00 2.16 H new ATOM 0 HE2 LYS A 81 11.977 -0.849 -4.263 1.00 3.03 H new ATOM 0 HE3 LYS A 81 12.099 0.756 -3.571 1.00 3.03 H new ATOM 0 HZ1 LYS A 81 14.242 0.041 -3.457 1.00 4.12 H new ATOM 0 HZ2 LYS A 81 13.697 -0.420 -1.916 1.00 4.12 H new ATOM 0 HZ3 LYS A 81 13.826 -1.577 -3.153 1.00 4.12 H new ATOM 1200 N ILE A 82 7.975 2.595 0.233 1.00 0.88 N ATOM 1201 CA ILE A 82 8.038 4.019 0.519 1.00 0.98 C ATOM 1202 C ILE A 82 9.520 4.418 0.536 1.00 0.95 C ATOM 1203 O ILE A 82 10.043 4.934 1.521 1.00 1.44 O ATOM 1204 CB ILE A 82 7.320 4.259 1.867 1.00 1.09 C ATOM 1205 CG1 ILE A 82 5.930 3.589 1.905 1.00 1.52 C ATOM 1206 CG2 ILE A 82 7.164 5.743 2.214 1.00 1.60 C ATOM 1207 CD1 ILE A 82 5.138 3.934 3.172 1.00 1.91 C ATOM 0 H ILE A 82 7.924 2.025 1.077 1.00 0.88 H new ATOM 0 HA ILE A 82 7.539 4.634 -0.229 1.00 0.98 H new ATOM 0 HB ILE A 82 7.968 3.802 2.615 1.00 1.09 H new ATOM 0 HG12 ILE A 82 5.359 3.898 1.030 1.00 1.52 H new ATOM 0 HG13 ILE A 82 6.051 2.508 1.841 1.00 1.52 H new ATOM 0 HG21 ILE A 82 6.652 5.841 3.172 1.00 1.60 H new ATOM 0 HG22 ILE A 82 8.148 6.207 2.279 1.00 1.60 H new ATOM 0 HG23 ILE A 82 6.580 6.239 1.438 1.00 1.60 H new ATOM 0 HD11 ILE A 82 4.169 3.435 3.143 1.00 1.91 H new ATOM 0 HD12 ILE A 82 5.692 3.600 4.049 1.00 1.91 H new ATOM 0 HD13 ILE A 82 4.989 5.012 3.225 1.00 1.91 H new ATOM 1219 N GLU A 83 10.199 4.180 -0.588 1.00 0.83 N ATOM 1220 CA GLU A 83 11.622 4.425 -0.741 1.00 0.87 C ATOM 1221 C GLU A 83 11.802 5.770 -1.440 1.00 1.04 C ATOM 1222 O GLU A 83 11.579 5.878 -2.651 1.00 1.56 O ATOM 1223 CB GLU A 83 12.248 3.255 -1.502 1.00 1.09 C ATOM 1224 CG GLU A 83 13.777 3.327 -1.505 1.00 1.07 C ATOM 1225 CD GLU A 83 14.342 1.995 -1.963 1.00 1.59 C ATOM 1226 OE1 GLU A 83 14.551 1.813 -3.184 1.00 1.96 O ATOM 1227 OE2 GLU A 83 14.385 1.062 -1.133 1.00 2.64 O ATOM 0 H GLU A 83 9.761 3.805 -1.429 1.00 0.83 H new ATOM 0 HA GLU A 83 12.134 4.484 0.220 1.00 0.87 H new ATOM 0 HB2 GLU A 83 11.930 2.316 -1.049 1.00 1.09 H new ATOM 0 HB3 GLU A 83 11.883 3.253 -2.529 1.00 1.09 H new ATOM 0 HG2 GLU A 83 14.113 4.125 -2.167 1.00 1.07 H new ATOM 0 HG3 GLU A 83 14.143 3.566 -0.507 1.00 1.07 H new ATOM 1234 N HIS A 84 12.105 6.807 -0.657 1.00 0.90 N ATOM 1235 CA HIS A 84 12.256 8.179 -1.135 1.00 0.88 C ATOM 1236 C HIS A 84 13.129 9.070 -0.226 1.00 0.78 C ATOM 1237 O HIS A 84 13.380 10.221 -0.581 1.00 1.13 O ATOM 1238 CB HIS A 84 10.845 8.784 -1.289 1.00 1.75 C ATOM 1239 CG HIS A 84 10.726 9.940 -2.254 1.00 1.59 C ATOM 1240 ND1 HIS A 84 11.718 10.827 -2.602 1.00 2.49 N ATOM 1241 CD2 HIS A 84 9.595 10.309 -2.930 1.00 1.91 C ATOM 1242 CE1 HIS A 84 11.202 11.688 -3.495 1.00 3.34 C ATOM 1243 NE2 HIS A 84 9.912 11.403 -3.738 1.00 3.06 N ATOM 0 H HIS A 84 12.255 6.713 0.347 1.00 0.90 H new ATOM 0 HA HIS A 84 12.784 8.144 -2.088 1.00 0.88 H new ATOM 0 HB2 HIS A 84 10.165 7.995 -1.611 1.00 1.75 H new ATOM 0 HB3 HIS A 84 10.504 9.117 -0.309 1.00 1.75 H new ATOM 0 HD1 HIS A 84 12.674 10.830 -2.246 1.00 2.49 H new ATOM 0 HD2 HIS A 84 8.627 9.837 -2.852 1.00 1.91 H new ATOM 0 HE1 HIS A 84 11.749 12.498 -3.954 1.00 3.34 H new ATOM 1251 N LEU A 85 13.500 8.625 0.979 1.00 0.76 N ATOM 1252 CA LEU A 85 13.487 9.503 2.142 1.00 0.80 C ATOM 1253 C LEU A 85 14.860 9.847 2.699 1.00 1.06 C ATOM 1254 O LEU A 85 15.806 9.064 2.612 1.00 1.40 O ATOM 1255 CB LEU A 85 12.588 8.907 3.237 1.00 0.81 C ATOM 1256 CG LEU A 85 11.120 9.149 2.873 1.00 0.82 C ATOM 1257 CD1 LEU A 85 10.169 8.141 3.524 1.00 1.56 C ATOM 1258 CD2 LEU A 85 10.691 10.572 3.244 1.00 1.50 C ATOM 0 H LEU A 85 13.809 7.672 1.169 1.00 0.76 H new ATOM 0 HA LEU A 85 13.081 10.453 1.793 1.00 0.80 H new ATOM 0 HB2 LEU A 85 12.778 7.839 3.338 1.00 0.81 H new ATOM 0 HB3 LEU A 85 12.816 9.364 4.200 1.00 0.81 H new ATOM 0 HG LEU A 85 11.052 9.015 1.793 1.00 0.82 H new ATOM 0 HD11 LEU A 85 9.144 8.364 3.228 1.00 1.56 H new ATOM 0 HD12 LEU A 85 10.429 7.133 3.199 1.00 1.56 H new ATOM 0 HD13 LEU A 85 10.256 8.206 4.609 1.00 1.56 H new ATOM 0 HD21 LEU A 85 9.645 10.718 2.975 1.00 1.50 H new ATOM 0 HD22 LEU A 85 10.814 10.721 4.317 1.00 1.50 H new ATOM 0 HD23 LEU A 85 11.308 11.290 2.704 1.00 1.50 H new ATOM 1270 N LYS A 86 14.878 11.033 3.324 1.00 1.16 N ATOM 1271 CA LYS A 86 15.975 11.799 3.889 1.00 1.53 C ATOM 1272 C LYS A 86 16.992 10.979 4.685 1.00 1.35 C ATOM 1273 O LYS A 86 18.131 11.414 4.850 1.00 1.69 O ATOM 1274 CB LYS A 86 15.393 12.962 4.724 1.00 2.02 C ATOM 1275 CG LYS A 86 14.530 12.522 5.926 1.00 2.08 C ATOM 1276 CD LYS A 86 13.006 12.524 5.702 1.00 2.56 C ATOM 1277 CE LYS A 86 12.292 13.880 5.927 1.00 3.25 C ATOM 1278 NZ LYS A 86 11.702 14.057 7.284 1.00 3.94 N ATOM 0 H LYS A 86 14.000 11.535 3.457 1.00 1.16 H new ATOM 0 HA LYS A 86 16.557 12.186 3.053 1.00 1.53 H new ATOM 0 HB2 LYS A 86 16.216 13.576 5.090 1.00 2.02 H new ATOM 0 HB3 LYS A 86 14.789 13.593 4.072 1.00 2.02 H new ATOM 0 HG2 LYS A 86 14.833 11.516 6.216 1.00 2.08 H new ATOM 0 HG3 LYS A 86 14.754 13.177 6.768 1.00 2.08 H new ATOM 0 HD2 LYS A 86 12.808 12.196 4.682 1.00 2.56 H new ATOM 0 HD3 LYS A 86 12.559 11.785 6.367 1.00 2.56 H new ATOM 0 HE2 LYS A 86 13.005 14.685 5.748 1.00 3.25 H new ATOM 0 HE3 LYS A 86 11.500 13.985 5.185 1.00 3.25 H new ATOM 0 HZ1 LYS A 86 11.104 14.908 7.294 1.00 3.94 H new ATOM 0 HZ2 LYS A 86 11.125 13.226 7.523 1.00 3.94 H new ATOM 0 HZ3 LYS A 86 12.465 14.161 7.983 1.00 3.94 H new ATOM 1292 N SER A 87 16.592 9.831 5.237 1.00 1.00 N ATOM 1293 CA SER A 87 17.518 8.972 5.971 1.00 1.01 C ATOM 1294 C SER A 87 17.131 7.505 5.764 1.00 1.03 C ATOM 1295 O SER A 87 15.941 7.222 5.622 1.00 1.06 O ATOM 1296 CB SER A 87 17.535 9.396 7.447 1.00 1.45 C ATOM 1297 OG SER A 87 17.745 10.794 7.543 1.00 1.61 O ATOM 0 H SER A 87 15.636 9.478 5.189 1.00 1.00 H new ATOM 0 HA SER A 87 18.535 9.081 5.595 1.00 1.01 H new ATOM 0 HB2 SER A 87 16.592 9.127 7.923 1.00 1.45 H new ATOM 0 HB3 SER A 87 18.323 8.863 7.979 1.00 1.45 H new ATOM 0 HG SER A 87 17.753 11.060 8.486 1.00 1.61 H new ATOM 1303 N PRO A 88 18.102 6.572 5.720 1.00 1.16 N ATOM 1304 CA PRO A 88 17.875 5.185 5.327 1.00 1.23 C ATOM 1305 C PRO A 88 16.698 4.576 6.082 1.00 1.22 C ATOM 1306 O PRO A 88 15.759 4.087 5.461 1.00 1.43 O ATOM 1307 CB PRO A 88 19.195 4.442 5.571 1.00 1.57 C ATOM 1308 CG PRO A 88 20.002 5.381 6.469 1.00 1.61 C ATOM 1309 CD PRO A 88 19.502 6.765 6.060 1.00 1.35 C ATOM 0 HA PRO A 88 17.597 5.109 4.276 1.00 1.23 H new ATOM 0 HB2 PRO A 88 19.025 3.479 6.054 1.00 1.57 H new ATOM 0 HB3 PRO A 88 19.717 4.242 4.635 1.00 1.57 H new ATOM 0 HG2 PRO A 88 19.821 5.183 7.525 1.00 1.61 H new ATOM 0 HG3 PRO A 88 21.074 5.274 6.304 1.00 1.61 H new ATOM 0 HD2 PRO A 88 19.616 7.482 6.873 1.00 1.35 H new ATOM 0 HD3 PRO A 88 20.065 7.153 5.211 1.00 1.35 H new ATOM 1317 N GLU A 89 16.724 4.683 7.412 1.00 1.27 N ATOM 1318 CA GLU A 89 15.667 4.259 8.318 1.00 1.42 C ATOM 1319 C GLU A 89 14.254 4.579 7.805 1.00 1.24 C ATOM 1320 O GLU A 89 13.346 3.759 7.922 1.00 1.49 O ATOM 1321 CB GLU A 89 15.880 4.949 9.666 1.00 1.70 C ATOM 1322 CG GLU A 89 17.208 4.617 10.358 1.00 2.02 C ATOM 1323 CD GLU A 89 17.330 5.413 11.651 1.00 3.06 C ATOM 1324 OE1 GLU A 89 16.391 5.309 12.472 1.00 4.08 O ATOM 1325 OE2 GLU A 89 18.330 6.150 11.767 1.00 3.74 O ATOM 0 H GLU A 89 17.521 5.087 7.904 1.00 1.27 H new ATOM 0 HA GLU A 89 15.728 3.174 8.403 1.00 1.42 H new ATOM 0 HB2 GLU A 89 15.823 6.028 9.519 1.00 1.70 H new ATOM 0 HB3 GLU A 89 15.062 4.675 10.332 1.00 1.70 H new ATOM 0 HG2 GLU A 89 17.260 3.549 10.571 1.00 2.02 H new ATOM 0 HG3 GLU A 89 18.042 4.851 9.696 1.00 2.02 H new ATOM 1332 N LEU A 90 14.057 5.784 7.256 1.00 1.15 N ATOM 1333 CA LEU A 90 12.739 6.248 6.840 1.00 1.08 C ATOM 1334 C LEU A 90 12.256 5.538 5.575 1.00 0.93 C ATOM 1335 O LEU A 90 11.060 5.568 5.288 1.00 1.02 O ATOM 1336 CB LEU A 90 12.744 7.771 6.617 1.00 1.05 C ATOM 1337 CG LEU A 90 12.526 8.638 7.865 1.00 1.31 C ATOM 1338 CD1 LEU A 90 11.093 8.499 8.397 1.00 1.50 C ATOM 1339 CD2 LEU A 90 13.567 8.373 8.955 1.00 2.14 C ATOM 0 H LEU A 90 14.805 6.457 7.091 1.00 1.15 H new ATOM 0 HA LEU A 90 12.046 6.006 7.645 1.00 1.08 H new ATOM 0 HB2 LEU A 90 13.698 8.049 6.169 1.00 1.05 H new ATOM 0 HB3 LEU A 90 11.968 8.014 5.891 1.00 1.05 H new ATOM 0 HG LEU A 90 12.665 9.674 7.557 1.00 1.31 H new ATOM 0 HD11 LEU A 90 10.971 9.125 9.281 1.00 1.50 H new ATOM 0 HD12 LEU A 90 10.387 8.814 7.628 1.00 1.50 H new ATOM 0 HD13 LEU A 90 10.902 7.459 8.660 1.00 1.50 H new ATOM 0 HD21 LEU A 90 13.365 9.013 9.814 1.00 2.14 H new ATOM 0 HD22 LEU A 90 13.516 7.328 9.261 1.00 2.14 H new ATOM 0 HD23 LEU A 90 14.563 8.589 8.568 1.00 2.14 H new ATOM 1351 N ASN A 91 13.155 4.929 4.796 1.00 0.83 N ATOM 1352 CA ASN A 91 12.814 4.277 3.543 1.00 0.79 C ATOM 1353 C ASN A 91 12.105 2.963 3.843 1.00 0.74 C ATOM 1354 O ASN A 91 12.697 1.884 3.780 1.00 0.89 O ATOM 1355 CB ASN A 91 14.062 4.113 2.672 1.00 0.96 C ATOM 1356 CG ASN A 91 14.542 5.482 2.204 1.00 1.13 C ATOM 1357 OD1 ASN A 91 14.188 5.920 1.114 1.00 1.84 O ATOM 1358 ND2 ASN A 91 15.280 6.212 3.039 1.00 1.19 N ATOM 0 H ASN A 91 14.147 4.878 5.026 1.00 0.83 H new ATOM 0 HA ASN A 91 12.125 4.892 2.965 1.00 0.79 H new ATOM 0 HB2 ASN A 91 14.849 3.614 3.237 1.00 0.96 H new ATOM 0 HB3 ASN A 91 13.838 3.482 1.812 1.00 0.96 H new ATOM 0 HD21 ASN A 91 15.563 7.156 2.777 1.00 1.19 H new ATOM 0 HD22 ASN A 91 15.562 5.826 3.940 1.00 1.19 H new ATOM 1365 N VAL A 92 10.833 3.095 4.215 1.00 0.90 N ATOM 1366 CA VAL A 92 9.950 2.011 4.590 1.00 0.79 C ATOM 1367 C VAL A 92 9.703 1.090 3.404 1.00 0.77 C ATOM 1368 O VAL A 92 9.492 1.561 2.284 1.00 0.92 O ATOM 1369 CB VAL A 92 8.637 2.597 5.143 1.00 0.73 C ATOM 1370 CG1 VAL A 92 7.419 1.679 4.967 1.00 0.87 C ATOM 1371 CG2 VAL A 92 8.790 2.905 6.626 1.00 1.08 C ATOM 0 H VAL A 92 10.376 4.006 4.263 1.00 0.90 H new ATOM 0 HA VAL A 92 10.415 1.409 5.371 1.00 0.79 H new ATOM 0 HB VAL A 92 8.451 3.500 4.561 1.00 0.73 H new ATOM 0 HG11 VAL A 92 6.535 2.164 5.382 1.00 0.87 H new ATOM 0 HG12 VAL A 92 7.261 1.483 3.906 1.00 0.87 H new ATOM 0 HG13 VAL A 92 7.595 0.738 5.488 1.00 0.87 H new ATOM 0 HG21 VAL A 92 7.858 3.319 7.010 1.00 1.08 H new ATOM 0 HG22 VAL A 92 9.029 1.988 7.165 1.00 1.08 H new ATOM 0 HG23 VAL A 92 9.593 3.628 6.766 1.00 1.08 H new ATOM 1381 N ASP A 93 9.650 -0.215 3.679 1.00 0.76 N ATOM 1382 CA ASP A 93 9.180 -1.203 2.721 1.00 0.71 C ATOM 1383 C ASP A 93 7.918 -1.878 3.265 1.00 0.62 C ATOM 1384 O ASP A 93 7.634 -1.818 4.465 1.00 0.76 O ATOM 1385 CB ASP A 93 10.300 -2.187 2.348 1.00 0.74 C ATOM 1386 CG ASP A 93 10.155 -2.672 0.911 1.00 0.94 C ATOM 1387 OD1 ASP A 93 11.174 -2.663 0.188 1.00 1.67 O ATOM 1388 OD2 ASP A 93 9.006 -2.996 0.544 1.00 1.95 O ATOM 0 H ASP A 93 9.933 -0.611 4.575 1.00 0.76 H new ATOM 0 HA ASP A 93 8.904 -0.716 1.786 1.00 0.71 H new ATOM 0 HB2 ASP A 93 11.269 -1.704 2.475 1.00 0.74 H new ATOM 0 HB3 ASP A 93 10.278 -3.040 3.026 1.00 0.74 H new ATOM 1393 N LEU A 94 7.149 -2.461 2.350 1.00 0.61 N ATOM 1394 CA LEU A 94 5.823 -3.035 2.523 1.00 0.69 C ATOM 1395 C LEU A 94 5.846 -4.517 2.146 1.00 0.69 C ATOM 1396 O LEU A 94 6.435 -4.896 1.136 1.00 0.83 O ATOM 1397 CB LEU A 94 4.835 -2.264 1.632 1.00 1.05 C ATOM 1398 CG LEU A 94 4.196 -1.090 2.385 1.00 0.90 C ATOM 1399 CD1 LEU A 94 3.673 -0.024 1.424 1.00 1.23 C ATOM 1400 CD2 LEU A 94 3.021 -1.615 3.208 1.00 1.99 C ATOM 0 H LEU A 94 7.468 -2.550 1.385 1.00 0.61 H new ATOM 0 HA LEU A 94 5.510 -2.954 3.564 1.00 0.69 H new ATOM 0 HB2 LEU A 94 5.354 -1.892 0.749 1.00 1.05 H new ATOM 0 HB3 LEU A 94 4.055 -2.940 1.282 1.00 1.05 H new ATOM 0 HG LEU A 94 4.957 -0.640 3.022 1.00 0.90 H new ATOM 0 HD11 LEU A 94 3.227 0.792 1.993 1.00 1.23 H new ATOM 0 HD12 LEU A 94 4.497 0.360 0.823 1.00 1.23 H new ATOM 0 HD13 LEU A 94 2.921 -0.463 0.769 1.00 1.23 H new ATOM 0 HD21 LEU A 94 2.558 -0.790 3.749 1.00 1.99 H new ATOM 0 HD22 LEU A 94 2.287 -2.071 2.544 1.00 1.99 H new ATOM 0 HD23 LEU A 94 3.379 -2.359 3.919 1.00 1.99 H new ATOM 1412 N ALA A 95 5.193 -5.368 2.943 1.00 0.73 N ATOM 1413 CA ALA A 95 5.214 -6.807 2.725 1.00 0.80 C ATOM 1414 C ALA A 95 4.228 -7.162 1.614 1.00 0.88 C ATOM 1415 O ALA A 95 3.177 -6.537 1.511 1.00 0.95 O ATOM 1416 CB ALA A 95 4.845 -7.523 4.026 1.00 0.99 C ATOM 0 H ALA A 95 4.641 -5.076 3.750 1.00 0.73 H new ATOM 0 HA ALA A 95 6.212 -7.126 2.423 1.00 0.80 H new ATOM 0 HB1 ALA A 95 4.860 -8.601 3.865 1.00 0.99 H new ATOM 0 HB2 ALA A 95 5.565 -7.262 4.802 1.00 0.99 H new ATOM 0 HB3 ALA A 95 3.847 -7.217 4.339 1.00 0.99 H new ATOM 1422 N ALA A 96 4.533 -8.182 0.806 1.00 0.99 N ATOM 1423 CA ALA A 96 3.679 -8.583 -0.305 1.00 1.17 C ATOM 1424 C ALA A 96 2.491 -9.372 0.250 1.00 1.25 C ATOM 1425 O ALA A 96 2.487 -10.599 0.259 1.00 1.98 O ATOM 1426 CB ALA A 96 4.485 -9.403 -1.312 1.00 1.40 C ATOM 0 H ALA A 96 5.376 -8.748 0.907 1.00 0.99 H new ATOM 0 HA ALA A 96 3.299 -7.707 -0.831 1.00 1.17 H new ATOM 0 HB1 ALA A 96 3.840 -9.699 -2.139 1.00 1.40 H new ATOM 0 HB2 ALA A 96 5.311 -8.802 -1.693 1.00 1.40 H new ATOM 0 HB3 ALA A 96 4.880 -10.294 -0.823 1.00 1.40 H new ATOM 1432 N ALA A 97 1.516 -8.622 0.756 1.00 0.95 N ATOM 1433 CA ALA A 97 0.402 -9.092 1.565 1.00 0.93 C ATOM 1434 C ALA A 97 -0.914 -8.991 0.802 1.00 0.97 C ATOM 1435 O ALA A 97 -1.194 -7.945 0.214 1.00 1.36 O ATOM 1436 CB ALA A 97 0.304 -8.206 2.799 1.00 1.15 C ATOM 0 H ALA A 97 1.483 -7.614 0.602 1.00 0.95 H new ATOM 0 HA ALA A 97 0.576 -10.135 1.829 1.00 0.93 H new ATOM 0 HB1 ALA A 97 -0.526 -8.540 3.422 1.00 1.15 H new ATOM 0 HB2 ALA A 97 1.232 -8.269 3.367 1.00 1.15 H new ATOM 0 HB3 ALA A 97 0.135 -7.173 2.493 1.00 1.15 H new ATOM 1442 N ASP A 98 -1.709 -10.060 0.855 1.00 0.96 N ATOM 1443 CA ASP A 98 -2.893 -10.310 0.046 1.00 1.05 C ATOM 1444 C ASP A 98 -4.112 -9.525 0.537 1.00 1.12 C ATOM 1445 O ASP A 98 -4.091 -8.868 1.580 1.00 1.45 O ATOM 1446 CB ASP A 98 -3.232 -11.815 0.098 1.00 1.21 C ATOM 1447 CG ASP A 98 -2.017 -12.731 0.029 1.00 2.47 C ATOM 1448 OD1 ASP A 98 -1.223 -12.659 0.997 1.00 3.32 O ATOM 1449 OD2 ASP A 98 -1.907 -13.475 -0.966 1.00 3.48 O ATOM 0 H ASP A 98 -1.527 -10.822 1.509 1.00 0.96 H new ATOM 0 HA ASP A 98 -2.667 -9.986 -0.970 1.00 1.05 H new ATOM 0 HB2 ASP A 98 -3.777 -12.022 1.019 1.00 1.21 H new ATOM 0 HB3 ASP A 98 -3.901 -12.054 -0.729 1.00 1.21 H new ATOM 1454 N ILE A 99 -5.203 -9.656 -0.222 1.00 0.96 N ATOM 1455 CA ILE A 99 -6.563 -9.356 0.191 1.00 0.87 C ATOM 1456 C ILE A 99 -7.312 -10.684 0.222 1.00 1.06 C ATOM 1457 O ILE A 99 -7.503 -11.322 -0.812 1.00 1.58 O ATOM 1458 CB ILE A 99 -7.192 -8.318 -0.754 1.00 0.74 C ATOM 1459 CG1 ILE A 99 -8.722 -8.241 -0.679 1.00 0.85 C ATOM 1460 CG2 ILE A 99 -6.755 -8.507 -2.206 1.00 1.02 C ATOM 1461 CD1 ILE A 99 -9.243 -6.930 -1.259 1.00 1.06 C ATOM 0 H ILE A 99 -5.152 -9.990 -1.184 1.00 0.96 H new ATOM 0 HA ILE A 99 -6.604 -8.902 1.181 1.00 0.87 H new ATOM 0 HB ILE A 99 -6.807 -7.366 -0.389 1.00 0.74 H new ATOM 0 HG12 ILE A 99 -9.157 -9.079 -1.223 1.00 0.85 H new ATOM 0 HG13 ILE A 99 -9.042 -8.334 0.359 1.00 0.85 H new ATOM 0 HG21 ILE A 99 -7.228 -7.749 -2.830 1.00 1.02 H new ATOM 0 HG22 ILE A 99 -5.672 -8.410 -2.275 1.00 1.02 H new ATOM 0 HG23 ILE A 99 -7.053 -9.497 -2.550 1.00 1.02 H new ATOM 0 HD11 ILE A 99 -10.331 -6.908 -1.190 1.00 1.06 H new ATOM 0 HD12 ILE A 99 -8.827 -6.093 -0.698 1.00 1.06 H new ATOM 0 HD13 ILE A 99 -8.944 -6.850 -2.304 1.00 1.06 H new ATOM 1473 N LYS A 100 -7.710 -11.111 1.421 1.00 1.27 N ATOM 1474 CA LYS A 100 -8.588 -12.255 1.610 1.00 1.47 C ATOM 1475 C LYS A 100 -9.932 -11.988 0.918 1.00 1.38 C ATOM 1476 O LYS A 100 -10.201 -10.862 0.498 1.00 2.24 O ATOM 1477 CB LYS A 100 -8.779 -12.457 3.124 1.00 2.35 C ATOM 1478 CG LYS A 100 -7.508 -13.040 3.759 1.00 3.55 C ATOM 1479 CD LYS A 100 -7.616 -13.154 5.287 1.00 4.55 C ATOM 1480 CE LYS A 100 -8.669 -14.186 5.733 1.00 5.45 C ATOM 1481 NZ LYS A 100 -8.667 -14.380 7.199 1.00 6.87 N ATOM 0 H LYS A 100 -7.427 -10.665 2.293 1.00 1.27 H new ATOM 0 HA LYS A 100 -8.158 -13.156 1.172 1.00 1.47 H new ATOM 0 HB2 LYS A 100 -9.023 -11.505 3.595 1.00 2.35 H new ATOM 0 HB3 LYS A 100 -9.621 -13.126 3.303 1.00 2.35 H new ATOM 0 HG2 LYS A 100 -7.314 -14.026 3.337 1.00 3.55 H new ATOM 0 HG3 LYS A 100 -6.656 -12.410 3.504 1.00 3.55 H new ATOM 0 HD2 LYS A 100 -6.645 -13.432 5.696 1.00 4.55 H new ATOM 0 HD3 LYS A 100 -7.870 -12.179 5.703 1.00 4.55 H new ATOM 0 HE2 LYS A 100 -9.657 -13.858 5.412 1.00 5.45 H new ATOM 0 HE3 LYS A 100 -8.474 -15.139 5.241 1.00 5.45 H new ATOM 0 HZ1 LYS A 100 -9.390 -15.082 7.457 1.00 6.87 H new ATOM 0 HZ2 LYS A 100 -7.732 -14.718 7.503 1.00 6.87 H new ATOM 0 HZ3 LYS A 100 -8.878 -13.477 7.669 1.00 6.87 H new ATOM 1495 N PRO A 101 -10.820 -12.988 0.823 1.00 1.97 N ATOM 1496 CA PRO A 101 -12.215 -12.741 0.505 1.00 2.67 C ATOM 1497 C PRO A 101 -12.875 -11.906 1.617 1.00 1.97 C ATOM 1498 O PRO A 101 -13.598 -12.440 2.454 1.00 2.74 O ATOM 1499 CB PRO A 101 -12.845 -14.132 0.343 1.00 4.21 C ATOM 1500 CG PRO A 101 -11.965 -15.017 1.225 1.00 4.34 C ATOM 1501 CD PRO A 101 -10.579 -14.413 1.006 1.00 3.10 C ATOM 0 HA PRO A 101 -12.348 -12.159 -0.407 1.00 2.67 H new ATOM 0 HB2 PRO A 101 -13.885 -14.144 0.670 1.00 4.21 H new ATOM 0 HB3 PRO A 101 -12.834 -14.461 -0.696 1.00 4.21 H new ATOM 0 HG2 PRO A 101 -12.266 -14.976 2.272 1.00 4.34 H new ATOM 0 HG3 PRO A 101 -12.006 -16.063 0.922 1.00 4.34 H new ATOM 0 HD2 PRO A 101 -9.927 -14.598 1.860 1.00 3.10 H new ATOM 0 HD3 PRO A 101 -10.091 -14.847 0.133 1.00 3.10 H new ATOM 1509 N ASP A 102 -12.630 -10.588 1.614 1.00 1.54 N ATOM 1510 CA ASP A 102 -13.242 -9.616 2.516 1.00 1.60 C ATOM 1511 C ASP A 102 -14.757 -9.802 2.512 1.00 1.64 C ATOM 1512 O ASP A 102 -15.406 -9.901 3.551 1.00 2.68 O ATOM 1513 CB ASP A 102 -12.947 -8.181 2.035 1.00 2.11 C ATOM 1514 CG ASP A 102 -11.490 -7.754 2.090 1.00 3.64 C ATOM 1515 OD1 ASP A 102 -11.183 -6.798 1.341 1.00 4.60 O ATOM 1516 OD2 ASP A 102 -10.730 -8.354 2.877 1.00 4.71 O ATOM 0 H ASP A 102 -11.976 -10.160 0.958 1.00 1.54 H new ATOM 0 HA ASP A 102 -12.833 -9.769 3.514 1.00 1.60 H new ATOM 0 HB2 ASP A 102 -13.297 -8.083 1.007 1.00 2.11 H new ATOM 0 HB3 ASP A 102 -13.533 -7.488 2.639 1.00 2.11 H new ATOM 1521 N GLY A 103 -15.297 -9.799 1.294 1.00 1.82 N ATOM 1522 CA GLY A 103 -16.710 -9.814 0.983 1.00 2.35 C ATOM 1523 C GLY A 103 -17.039 -8.572 0.162 1.00 2.00 C ATOM 1524 O GLY A 103 -16.278 -7.607 0.147 1.00 2.93 O ATOM 0 H GLY A 103 -14.718 -9.785 0.454 1.00 1.82 H new ATOM 0 HA2 GLY A 103 -16.965 -10.715 0.425 1.00 2.35 H new ATOM 0 HA3 GLY A 103 -17.299 -9.829 1.900 1.00 2.35 H new ATOM 1528 N LYS A 104 -18.192 -8.597 -0.508 1.00 2.10 N ATOM 1529 CA LYS A 104 -18.865 -7.391 -0.985 1.00 2.08 C ATOM 1530 C LYS A 104 -18.023 -6.714 -2.071 1.00 1.98 C ATOM 1531 O LYS A 104 -17.656 -5.546 -1.959 1.00 2.48 O ATOM 1532 CB LYS A 104 -19.146 -6.461 0.212 1.00 2.28 C ATOM 1533 CG LYS A 104 -20.149 -5.339 -0.094 1.00 2.90 C ATOM 1534 CD LYS A 104 -20.060 -4.295 1.029 1.00 3.10 C ATOM 1535 CE LYS A 104 -21.033 -3.121 0.852 1.00 4.40 C ATOM 1536 NZ LYS A 104 -22.444 -3.522 1.023 1.00 5.79 N ATOM 0 H LYS A 104 -18.687 -9.460 -0.735 1.00 2.10 H new ATOM 0 HA LYS A 104 -19.822 -7.645 -1.440 1.00 2.08 H new ATOM 0 HB2 LYS A 104 -19.525 -7.057 1.042 1.00 2.28 H new ATOM 0 HB3 LYS A 104 -18.207 -6.016 0.542 1.00 2.28 H new ATOM 0 HG2 LYS A 104 -19.924 -4.881 -1.057 1.00 2.90 H new ATOM 0 HG3 LYS A 104 -21.160 -5.741 -0.160 1.00 2.90 H new ATOM 0 HD2 LYS A 104 -20.260 -4.782 1.984 1.00 3.10 H new ATOM 0 HD3 LYS A 104 -19.042 -3.909 1.075 1.00 3.10 H new ATOM 0 HE2 LYS A 104 -20.791 -2.341 1.574 1.00 4.40 H new ATOM 0 HE3 LYS A 104 -20.899 -2.690 -0.140 1.00 4.40 H new ATOM 0 HZ1 LYS A 104 -23.059 -2.693 0.893 1.00 5.79 H new ATOM 0 HZ2 LYS A 104 -22.687 -4.247 0.318 1.00 5.79 H new ATOM 0 HZ3 LYS A 104 -22.582 -3.909 1.978 1.00 5.79 H new ATOM 1550 N ARG A 105 -17.705 -7.469 -3.124 1.00 2.24 N ATOM 1551 CA ARG A 105 -16.800 -7.075 -4.195 1.00 2.27 C ATOM 1552 C ARG A 105 -15.346 -6.969 -3.723 1.00 2.18 C ATOM 1553 O ARG A 105 -14.492 -7.539 -4.392 1.00 3.19 O ATOM 1554 CB ARG A 105 -17.294 -5.863 -5.010 1.00 2.49 C ATOM 1555 CG ARG A 105 -18.535 -6.277 -5.820 1.00 3.34 C ATOM 1556 CD ARG A 105 -19.135 -5.131 -6.647 1.00 3.72 C ATOM 1557 NE ARG A 105 -20.080 -5.644 -7.662 1.00 4.98 N ATOM 1558 CZ ARG A 105 -19.743 -6.204 -8.841 1.00 6.12 C ATOM 1559 NH1 ARG A 105 -18.469 -6.246 -9.228 1.00 6.44 N ATOM 1560 NH2 ARG A 105 -20.685 -6.730 -9.630 1.00 7.39 N ATOM 0 H ARG A 105 -18.087 -8.406 -3.255 1.00 2.24 H new ATOM 0 HA ARG A 105 -16.810 -7.893 -4.915 1.00 2.27 H new ATOM 0 HB2 ARG A 105 -17.538 -5.035 -4.344 1.00 2.49 H new ATOM 0 HB3 ARG A 105 -16.507 -5.513 -5.679 1.00 2.49 H new ATOM 0 HG2 ARG A 105 -18.267 -7.095 -6.488 1.00 3.34 H new ATOM 0 HG3 ARG A 105 -19.294 -6.659 -5.137 1.00 3.34 H new ATOM 0 HD2 ARG A 105 -19.650 -4.433 -5.987 1.00 3.72 H new ATOM 0 HD3 ARG A 105 -18.336 -4.576 -7.138 1.00 3.72 H new ATOM 0 HE ARG A 105 -21.075 -5.567 -7.451 1.00 4.98 H new ATOM 0 HH11 ARG A 105 -17.741 -5.853 -8.631 1.00 6.44 H new ATOM 0 HH12 ARG A 105 -18.221 -6.671 -10.121 1.00 6.44 H new ATOM 0 HH21 ARG A 105 -21.663 -6.709 -9.341 1.00 7.39 H new ATOM 0 HH22 ARG A 105 -20.426 -7.153 -10.521 1.00 7.39 H new ATOM 1574 N HIS A 106 -15.055 -6.296 -2.604 1.00 1.75 N ATOM 1575 CA HIS A 106 -13.757 -6.259 -1.920 1.00 1.91 C ATOM 1576 C HIS A 106 -13.753 -5.100 -0.923 1.00 1.86 C ATOM 1577 O HIS A 106 -14.568 -4.190 -1.062 1.00 3.18 O ATOM 1578 CB HIS A 106 -12.584 -6.104 -2.905 1.00 2.24 C ATOM 1579 CG HIS A 106 -12.781 -5.025 -3.947 1.00 3.27 C ATOM 1580 ND1 HIS A 106 -13.247 -5.234 -5.225 1.00 4.77 N ATOM 1581 CD2 HIS A 106 -12.680 -3.672 -3.761 1.00 4.08 C ATOM 1582 CE1 HIS A 106 -13.409 -4.033 -5.802 1.00 6.02 C ATOM 1583 NE2 HIS A 106 -13.078 -3.051 -4.949 1.00 5.60 N ATOM 0 H HIS A 106 -15.757 -5.732 -2.125 1.00 1.75 H new ATOM 0 HA HIS A 106 -13.620 -7.209 -1.403 1.00 1.91 H new ATOM 0 HB2 HIS A 106 -11.678 -5.885 -2.340 1.00 2.24 H new ATOM 0 HB3 HIS A 106 -12.422 -7.056 -3.411 1.00 2.24 H new ATOM 0 HD1 HIS A 106 -13.435 -6.139 -5.656 1.00 4.77 H new ATOM 0 HD2 HIS A 106 -12.352 -3.175 -2.860 1.00 4.08 H new ATOM 0 HE1 HIS A 106 -13.757 -3.878 -6.812 1.00 6.02 H new ATOM 1591 N ALA A 107 -12.817 -5.097 0.038 1.00 1.20 N ATOM 1592 CA ALA A 107 -12.535 -3.938 0.871 1.00 1.51 C ATOM 1593 C ALA A 107 -11.068 -3.523 0.726 1.00 1.16 C ATOM 1594 O ALA A 107 -10.794 -2.468 0.151 1.00 1.33 O ATOM 1595 CB ALA A 107 -12.930 -4.214 2.326 1.00 2.58 C ATOM 0 H ALA A 107 -12.236 -5.907 0.253 1.00 1.20 H new ATOM 0 HA ALA A 107 -13.139 -3.096 0.534 1.00 1.51 H new ATOM 0 HB1 ALA A 107 -12.712 -3.337 2.935 1.00 2.58 H new ATOM 0 HB2 ALA A 107 -13.996 -4.436 2.378 1.00 2.58 H new ATOM 0 HB3 ALA A 107 -12.363 -5.066 2.702 1.00 2.58 H new ATOM 1601 N VAL A 108 -10.121 -4.313 1.246 1.00 0.96 N ATOM 1602 CA VAL A 108 -8.732 -3.881 1.406 1.00 0.88 C ATOM 1603 C VAL A 108 -7.743 -5.041 1.346 1.00 0.93 C ATOM 1604 O VAL A 108 -8.010 -6.131 1.842 1.00 0.97 O ATOM 1605 CB VAL A 108 -8.525 -3.114 2.728 1.00 0.99 C ATOM 1606 CG1 VAL A 108 -9.051 -1.683 2.637 1.00 1.15 C ATOM 1607 CG2 VAL A 108 -9.137 -3.825 3.943 1.00 1.12 C ATOM 0 H VAL A 108 -10.297 -5.265 1.566 1.00 0.96 H new ATOM 0 HA VAL A 108 -8.534 -3.218 0.564 1.00 0.88 H new ATOM 0 HB VAL A 108 -7.446 -3.085 2.882 1.00 0.99 H new ATOM 0 HG11 VAL A 108 -8.888 -1.174 3.587 1.00 1.15 H new ATOM 0 HG12 VAL A 108 -8.524 -1.151 1.845 1.00 1.15 H new ATOM 0 HG13 VAL A 108 -10.118 -1.701 2.414 1.00 1.15 H new ATOM 0 HG21 VAL A 108 -8.956 -3.233 4.840 1.00 1.12 H new ATOM 0 HG22 VAL A 108 -10.211 -3.940 3.795 1.00 1.12 H new ATOM 0 HG23 VAL A 108 -8.679 -4.808 4.058 1.00 1.12 H new ATOM 1617 N ILE A 109 -6.558 -4.772 0.793 1.00 1.19 N ATOM 1618 CA ILE A 109 -5.368 -5.530 1.094 1.00 1.27 C ATOM 1619 C ILE A 109 -4.833 -4.924 2.390 1.00 1.40 C ATOM 1620 O ILE A 109 -4.980 -3.715 2.593 1.00 1.70 O ATOM 1621 CB ILE A 109 -4.386 -5.505 -0.100 1.00 1.53 C ATOM 1622 CG1 ILE A 109 -3.331 -4.417 -0.021 1.00 1.85 C ATOM 1623 CG2 ILE A 109 -5.046 -5.263 -1.460 1.00 3.10 C ATOM 1624 CD1 ILE A 109 -2.255 -4.714 1.005 1.00 2.49 C ATOM 0 H ILE A 109 -6.409 -4.017 0.123 1.00 1.19 H new ATOM 0 HA ILE A 109 -5.550 -6.594 1.244 1.00 1.27 H new ATOM 0 HB ILE A 109 -3.955 -6.503 -0.026 1.00 1.53 H new ATOM 0 HG12 ILE A 109 -2.869 -4.294 -1.000 1.00 1.85 H new ATOM 0 HG13 ILE A 109 -3.810 -3.470 0.226 1.00 1.85 H new ATOM 0 HG21 ILE A 109 -4.284 -5.261 -2.239 1.00 3.10 H new ATOM 0 HG22 ILE A 109 -5.768 -6.055 -1.660 1.00 3.10 H new ATOM 0 HG23 ILE A 109 -5.557 -4.300 -1.450 1.00 3.10 H new ATOM 0 HD11 ILE A 109 -1.529 -3.901 1.016 1.00 2.49 H new ATOM 0 HD12 ILE A 109 -2.709 -4.809 1.991 1.00 2.49 H new ATOM 0 HD13 ILE A 109 -1.752 -5.646 0.746 1.00 2.49 H new ATOM 1636 N SER A 110 -4.233 -5.726 3.272 1.00 1.27 N ATOM 1637 CA SER A 110 -3.632 -5.203 4.494 1.00 1.41 C ATOM 1638 C SER A 110 -2.257 -5.828 4.699 1.00 1.21 C ATOM 1639 O SER A 110 -2.154 -7.004 5.040 1.00 1.32 O ATOM 1640 CB SER A 110 -4.564 -5.418 5.691 1.00 1.55 C ATOM 1641 OG SER A 110 -4.071 -4.736 6.830 1.00 2.28 O ATOM 0 H SER A 110 -4.152 -6.737 3.161 1.00 1.27 H new ATOM 0 HA SER A 110 -3.492 -4.126 4.402 1.00 1.41 H new ATOM 0 HB2 SER A 110 -5.565 -5.060 5.450 1.00 1.55 H new ATOM 0 HB3 SER A 110 -4.650 -6.483 5.906 1.00 1.55 H new ATOM 0 HG SER A 110 -3.602 -3.923 6.547 1.00 2.28 H new ATOM 1647 N GLY A 111 -1.210 -5.035 4.462 1.00 1.08 N ATOM 1648 CA GLY A 111 0.175 -5.444 4.631 1.00 0.92 C ATOM 1649 C GLY A 111 0.818 -4.852 5.881 1.00 0.75 C ATOM 1650 O GLY A 111 0.461 -3.763 6.336 1.00 1.03 O ATOM 0 H GLY A 111 -1.309 -4.072 4.141 1.00 1.08 H new ATOM 0 HA2 GLY A 111 0.224 -6.532 4.683 1.00 0.92 H new ATOM 0 HA3 GLY A 111 0.748 -5.141 3.755 1.00 0.92 H new ATOM 1654 N SER A 112 1.807 -5.575 6.408 1.00 0.61 N ATOM 1655 CA SER A 112 2.748 -5.074 7.388 1.00 0.57 C ATOM 1656 C SER A 112 3.789 -4.245 6.638 1.00 0.45 C ATOM 1657 O SER A 112 4.070 -4.523 5.469 1.00 0.55 O ATOM 1658 CB SER A 112 3.413 -6.258 8.100 1.00 0.83 C ATOM 1659 OG SER A 112 2.430 -7.216 8.447 1.00 1.46 O ATOM 0 H SER A 112 1.973 -6.549 6.153 1.00 0.61 H new ATOM 0 HA SER A 112 2.251 -4.460 8.139 1.00 0.57 H new ATOM 0 HB2 SER A 112 4.163 -6.710 7.452 1.00 0.83 H new ATOM 0 HB3 SER A 112 3.931 -5.913 8.995 1.00 0.83 H new ATOM 0 HG SER A 112 2.857 -7.973 8.900 1.00 1.46 H new ATOM 1665 N VAL A 113 4.353 -3.237 7.302 1.00 0.46 N ATOM 1666 CA VAL A 113 5.419 -2.420 6.753 1.00 0.44 C ATOM 1667 C VAL A 113 6.559 -2.447 7.767 1.00 0.56 C ATOM 1668 O VAL A 113 6.305 -2.666 8.954 1.00 0.77 O ATOM 1669 CB VAL A 113 4.912 -0.995 6.424 1.00 0.52 C ATOM 1670 CG1 VAL A 113 3.381 -0.838 6.472 1.00 0.66 C ATOM 1671 CG2 VAL A 113 5.482 0.063 7.369 1.00 0.64 C ATOM 0 H VAL A 113 4.075 -2.967 8.246 1.00 0.46 H new ATOM 0 HA VAL A 113 5.780 -2.810 5.801 1.00 0.44 H new ATOM 0 HB VAL A 113 5.260 -0.845 5.402 1.00 0.52 H new ATOM 0 HG11 VAL A 113 3.113 0.190 6.229 1.00 0.66 H new ATOM 0 HG12 VAL A 113 2.923 -1.513 5.749 1.00 0.66 H new ATOM 0 HG13 VAL A 113 3.022 -1.080 7.472 1.00 0.66 H new ATOM 0 HG21 VAL A 113 5.094 1.044 7.094 1.00 0.64 H new ATOM 0 HG22 VAL A 113 5.189 -0.168 8.393 1.00 0.64 H new ATOM 0 HG23 VAL A 113 6.569 0.069 7.295 1.00 0.64 H new ATOM 1681 N LEU A 114 7.795 -2.195 7.324 1.00 0.71 N ATOM 1682 CA LEU A 114 8.915 -2.030 8.238 1.00 1.07 C ATOM 1683 C LEU A 114 9.647 -0.717 7.982 1.00 1.06 C ATOM 1684 O LEU A 114 9.789 -0.287 6.838 1.00 1.11 O ATOM 1685 CB LEU A 114 9.823 -3.272 8.252 1.00 1.44 C ATOM 1686 CG LEU A 114 10.952 -3.318 7.209 1.00 1.01 C ATOM 1687 CD1 LEU A 114 11.797 -4.574 7.446 1.00 1.36 C ATOM 1688 CD2 LEU A 114 10.444 -3.341 5.768 1.00 2.14 C ATOM 0 H LEU A 114 8.039 -2.102 6.338 1.00 0.71 H new ATOM 0 HA LEU A 114 8.527 -1.953 9.254 1.00 1.07 H new ATOM 0 HB2 LEU A 114 10.272 -3.353 9.242 1.00 1.44 H new ATOM 0 HB3 LEU A 114 9.196 -4.153 8.113 1.00 1.44 H new ATOM 0 HG LEU A 114 11.536 -2.406 7.334 1.00 1.01 H new ATOM 0 HD11 LEU A 114 12.601 -4.616 6.711 1.00 1.36 H new ATOM 0 HD12 LEU A 114 12.223 -4.542 8.449 1.00 1.36 H new ATOM 0 HD13 LEU A 114 11.169 -5.459 7.347 1.00 1.36 H new ATOM 0 HD21 LEU A 114 11.292 -3.373 5.084 1.00 2.14 H new ATOM 0 HD22 LEU A 114 9.821 -4.222 5.616 1.00 2.14 H new ATOM 0 HD23 LEU A 114 9.856 -2.444 5.575 1.00 2.14 H new ATOM 1700 N TYR A 115 10.137 -0.108 9.063 1.00 1.13 N ATOM 1701 CA TYR A 115 10.940 1.104 9.106 1.00 1.28 C ATOM 1702 C TYR A 115 12.351 0.700 8.700 1.00 1.18 C ATOM 1703 O TYR A 115 13.270 0.658 9.518 1.00 1.24 O ATOM 1704 CB TYR A 115 10.854 1.671 10.531 1.00 1.50 C ATOM 1705 CG TYR A 115 11.779 2.819 10.890 1.00 1.99 C ATOM 1706 CD1 TYR A 115 12.805 2.620 11.834 1.00 3.58 C ATOM 1707 CD2 TYR A 115 11.509 4.116 10.424 1.00 2.28 C ATOM 1708 CE1 TYR A 115 13.489 3.716 12.384 1.00 4.53 C ATOM 1709 CE2 TYR A 115 12.236 5.204 10.934 1.00 3.14 C ATOM 1710 CZ TYR A 115 13.175 5.015 11.961 1.00 4.03 C ATOM 1711 OH TYR A 115 13.897 6.074 12.424 1.00 5.12 O ATOM 0 H TYR A 115 9.968 -0.481 9.997 1.00 1.13 H new ATOM 0 HA TYR A 115 10.598 1.887 8.429 1.00 1.28 H new ATOM 0 HB2 TYR A 115 9.829 2.001 10.699 1.00 1.50 H new ATOM 0 HB3 TYR A 115 11.045 0.856 11.229 1.00 1.50 H new ATOM 0 HD1 TYR A 115 13.068 1.617 12.137 1.00 3.58 H new ATOM 0 HD2 TYR A 115 10.746 4.276 9.677 1.00 2.28 H new ATOM 0 HE1 TYR A 115 14.254 3.559 13.130 1.00 4.53 H new ATOM 0 HE2 TYR A 115 12.072 6.193 10.533 1.00 3.14 H new ATOM 0 HH TYR A 115 14.854 5.886 12.326 1.00 5.12 H new ATOM 1721 N ASN A 116 12.457 0.324 7.421 1.00 1.15 N ATOM 1722 CA ASN A 116 13.638 -0.126 6.704 1.00 1.19 C ATOM 1723 C ASN A 116 14.260 -1.391 7.309 1.00 0.94 C ATOM 1724 O ASN A 116 14.302 -2.423 6.646 1.00 1.08 O ATOM 1725 CB ASN A 116 14.628 1.026 6.534 1.00 1.49 C ATOM 1726 CG ASN A 116 15.671 0.680 5.483 1.00 2.09 C ATOM 1727 OD1 ASN A 116 16.794 0.306 5.814 1.00 2.62 O ATOM 1728 ND2 ASN A 116 15.301 0.790 4.211 1.00 3.01 N ATOM 0 H ASN A 116 11.638 0.330 6.812 1.00 1.15 H new ATOM 0 HA ASN A 116 13.329 -0.433 5.705 1.00 1.19 H new ATOM 0 HB2 ASN A 116 14.095 1.931 6.242 1.00 1.49 H new ATOM 0 HB3 ASN A 116 15.117 1.236 7.485 1.00 1.49 H new ATOM 0 HD21 ASN A 116 15.959 0.560 3.467 1.00 3.01 H new ATOM 0 HD22 ASN A 116 14.359 1.104 3.979 1.00 3.01 H new ATOM 1735 N GLN A 117 14.709 -1.329 8.566 1.00 0.83 N ATOM 1736 CA GLN A 117 15.137 -2.480 9.346 1.00 0.79 C ATOM 1737 C GLN A 117 14.026 -2.979 10.285 1.00 0.87 C ATOM 1738 O GLN A 117 13.860 -4.186 10.441 1.00 1.31 O ATOM 1739 CB GLN A 117 16.391 -2.141 10.165 1.00 0.94 C ATOM 1740 CG GLN A 117 17.496 -1.450 9.347 1.00 1.21 C ATOM 1741 CD GLN A 117 17.497 0.068 9.532 1.00 1.41 C ATOM 1742 OE1 GLN A 117 17.501 0.555 10.656 1.00 2.39 O ATOM 1743 NE2 GLN A 117 17.514 0.839 8.450 1.00 1.70 N ATOM 0 H GLN A 117 14.784 -0.450 9.078 1.00 0.83 H new ATOM 0 HA GLN A 117 15.369 -3.278 8.641 1.00 0.79 H new ATOM 0 HB2 GLN A 117 16.108 -1.494 10.996 1.00 0.94 H new ATOM 0 HB3 GLN A 117 16.791 -3.058 10.597 1.00 0.94 H new ATOM 0 HG2 GLN A 117 18.466 -1.850 9.642 1.00 1.21 H new ATOM 0 HG3 GLN A 117 17.363 -1.684 8.291 1.00 1.21 H new ATOM 0 HE21 GLN A 117 17.510 0.416 7.522 1.00 1.70 H new ATOM 0 HE22 GLN A 117 17.531 1.854 8.547 1.00 1.70 H new ATOM 1752 N ALA A 118 13.315 -2.072 10.971 1.00 0.89 N ATOM 1753 CA ALA A 118 12.524 -2.429 12.154 1.00 1.00 C ATOM 1754 C ALA A 118 11.024 -2.471 11.865 1.00 0.91 C ATOM 1755 O ALA A 118 10.455 -1.482 11.414 1.00 1.20 O ATOM 1756 CB ALA A 118 12.799 -1.421 13.271 1.00 1.27 C ATOM 0 H ALA A 118 13.273 -1.083 10.724 1.00 0.89 H new ATOM 0 HA ALA A 118 12.825 -3.432 12.458 1.00 1.00 H new ATOM 0 HB1 ALA A 118 12.212 -1.684 14.151 1.00 1.27 H new ATOM 0 HB2 ALA A 118 13.859 -1.438 13.523 1.00 1.27 H new ATOM 0 HB3 ALA A 118 12.522 -0.422 12.936 1.00 1.27 H new ATOM 1762 N GLU A 119 10.339 -3.573 12.176 1.00 0.89 N ATOM 1763 CA GLU A 119 8.892 -3.616 12.036 1.00 1.03 C ATOM 1764 C GLU A 119 8.236 -2.906 13.226 1.00 1.12 C ATOM 1765 O GLU A 119 8.230 -3.457 14.322 1.00 1.81 O ATOM 1766 CB GLU A 119 8.397 -5.069 11.937 1.00 1.54 C ATOM 1767 CG GLU A 119 6.932 -5.119 11.466 1.00 1.81 C ATOM 1768 CD GLU A 119 6.257 -6.428 11.849 1.00 2.77 C ATOM 1769 OE1 GLU A 119 5.426 -6.378 12.787 1.00 3.99 O ATOM 1770 OE2 GLU A 119 6.587 -7.450 11.218 1.00 3.12 O ATOM 0 H GLU A 119 10.761 -4.435 12.522 1.00 0.89 H new ATOM 0 HA GLU A 119 8.613 -3.102 11.116 1.00 1.03 H new ATOM 0 HB2 GLU A 119 9.026 -5.625 11.242 1.00 1.54 H new ATOM 0 HB3 GLU A 119 8.488 -5.555 12.908 1.00 1.54 H new ATOM 0 HG2 GLU A 119 6.382 -4.286 11.903 1.00 1.81 H new ATOM 0 HG3 GLU A 119 6.894 -4.994 10.384 1.00 1.81 H new ATOM 1777 N LYS A 120 7.621 -1.739 12.997 1.00 0.66 N ATOM 1778 CA LYS A 120 6.305 -1.417 13.538 1.00 0.65 C ATOM 1779 C LYS A 120 5.565 -0.452 12.611 1.00 0.66 C ATOM 1780 O LYS A 120 5.497 0.756 12.840 1.00 0.96 O ATOM 1781 CB LYS A 120 6.321 -0.952 15.005 1.00 1.13 C ATOM 1782 CG LYS A 120 6.158 -2.075 16.049 1.00 1.75 C ATOM 1783 CD LYS A 120 4.997 -3.049 15.799 1.00 2.08 C ATOM 1784 CE LYS A 120 5.449 -4.384 15.173 1.00 2.69 C ATOM 1785 NZ LYS A 120 4.337 -5.297 14.848 1.00 3.46 N ATOM 0 H LYS A 120 8.027 -0.994 12.430 1.00 0.66 H new ATOM 0 HA LYS A 120 5.743 -2.351 13.569 1.00 0.65 H new ATOM 0 HB2 LYS A 120 7.261 -0.434 15.195 1.00 1.13 H new ATOM 0 HB3 LYS A 120 5.521 -0.225 15.148 1.00 1.13 H new ATOM 0 HG2 LYS A 120 7.086 -2.646 16.090 1.00 1.75 H new ATOM 0 HG3 LYS A 120 6.021 -1.618 17.029 1.00 1.75 H new ATOM 0 HD2 LYS A 120 4.491 -3.251 16.743 1.00 2.08 H new ATOM 0 HD3 LYS A 120 4.268 -2.575 15.141 1.00 2.08 H new ATOM 0 HE2 LYS A 120 6.013 -4.175 14.264 1.00 2.69 H new ATOM 0 HE3 LYS A 120 6.129 -4.886 15.862 1.00 2.69 H new ATOM 0 HZ1 LYS A 120 4.532 -5.775 13.945 1.00 3.46 H new ATOM 0 HZ2 LYS A 120 4.240 -6.007 15.601 1.00 3.46 H new ATOM 0 HZ3 LYS A 120 3.454 -4.754 14.768 1.00 3.46 H new ATOM 1799 N GLY A 121 4.941 -1.022 11.581 1.00 0.53 N ATOM 1800 CA GLY A 121 3.847 -0.364 10.903 1.00 0.53 C ATOM 1801 C GLY A 121 2.963 -1.384 10.200 1.00 0.45 C ATOM 1802 O GLY A 121 3.392 -2.502 9.912 1.00 0.53 O ATOM 0 H GLY A 121 5.181 -1.939 11.204 1.00 0.53 H new ATOM 0 HA2 GLY A 121 3.256 0.204 11.621 1.00 0.53 H new ATOM 0 HA3 GLY A 121 4.238 0.349 10.177 1.00 0.53 H new ATOM 1806 N SER A 122 1.725 -0.986 9.930 1.00 0.56 N ATOM 1807 CA SER A 122 0.716 -1.775 9.251 1.00 0.54 C ATOM 1808 C SER A 122 -0.131 -0.830 8.410 1.00 0.50 C ATOM 1809 O SER A 122 -0.365 0.302 8.846 1.00 0.80 O ATOM 1810 CB SER A 122 -0.138 -2.472 10.310 1.00 0.64 C ATOM 1811 OG SER A 122 -0.576 -1.538 11.282 1.00 0.75 O ATOM 0 H SER A 122 1.386 -0.060 10.193 1.00 0.56 H new ATOM 0 HA SER A 122 1.162 -2.530 8.603 1.00 0.54 H new ATOM 0 HB2 SER A 122 -0.998 -2.947 9.838 1.00 0.64 H new ATOM 0 HB3 SER A 122 0.439 -3.263 10.790 1.00 0.64 H new ATOM 0 HG SER A 122 -1.123 -1.997 11.953 1.00 0.75 H new ATOM 1817 N TYR A 123 -0.602 -1.278 7.242 1.00 0.53 N ATOM 1818 CA TYR A 123 -1.454 -0.456 6.399 1.00 0.61 C ATOM 1819 C TYR A 123 -2.652 -1.213 5.846 1.00 0.56 C ATOM 1820 O TYR A 123 -2.751 -2.432 5.982 1.00 0.61 O ATOM 1821 CB TYR A 123 -0.621 0.275 5.332 1.00 1.04 C ATOM 1822 CG TYR A 123 -0.536 -0.267 3.920 1.00 0.71 C ATOM 1823 CD1 TYR A 123 -0.465 -1.644 3.658 1.00 2.02 C ATOM 1824 CD2 TYR A 123 -0.401 0.647 2.859 1.00 2.12 C ATOM 1825 CE1 TYR A 123 -0.388 -2.106 2.333 1.00 2.48 C ATOM 1826 CE2 TYR A 123 -0.240 0.186 1.546 1.00 2.08 C ATOM 1827 CZ TYR A 123 -0.263 -1.188 1.274 1.00 1.56 C ATOM 1828 OH TYR A 123 -0.164 -1.586 -0.024 1.00 2.11 O ATOM 0 H TYR A 123 -0.404 -2.205 6.865 1.00 0.53 H new ATOM 0 HA TYR A 123 -1.901 0.316 7.025 1.00 0.61 H new ATOM 0 HB2 TYR A 123 -1.007 1.292 5.264 1.00 1.04 H new ATOM 0 HB3 TYR A 123 0.398 0.345 5.712 1.00 1.04 H new ATOM 0 HD1 TYR A 123 -0.470 -2.349 4.476 1.00 2.02 H new ATOM 0 HD2 TYR A 123 -0.422 1.708 3.058 1.00 2.12 H new ATOM 0 HE1 TYR A 123 -0.425 -3.166 2.128 1.00 2.48 H new ATOM 0 HE2 TYR A 123 -0.098 0.892 0.741 1.00 2.08 H new ATOM 0 HH TYR A 123 -0.451 -2.520 -0.103 1.00 2.11 H new ATOM 1838 N SER A 124 -3.563 -0.460 5.234 1.00 0.61 N ATOM 1839 CA SER A 124 -4.779 -0.950 4.624 1.00 0.72 C ATOM 1840 C SER A 124 -4.917 -0.181 3.318 1.00 0.68 C ATOM 1841 O SER A 124 -4.954 1.051 3.363 1.00 0.73 O ATOM 1842 CB SER A 124 -5.957 -0.667 5.563 1.00 0.90 C ATOM 1843 OG SER A 124 -5.943 0.689 5.971 1.00 1.92 O ATOM 0 H SER A 124 -3.462 0.552 5.151 1.00 0.61 H new ATOM 0 HA SER A 124 -4.760 -2.024 4.440 1.00 0.72 H new ATOM 0 HB2 SER A 124 -6.896 -0.893 5.058 1.00 0.90 H new ATOM 0 HB3 SER A 124 -5.900 -1.317 6.436 1.00 0.90 H new ATOM 0 HG SER A 124 -5.609 1.248 5.238 1.00 1.92 H new ATOM 1849 N LEU A 125 -4.947 -0.888 2.186 1.00 0.72 N ATOM 1850 CA LEU A 125 -4.967 -0.294 0.858 1.00 0.73 C ATOM 1851 C LEU A 125 -6.056 -0.985 0.043 1.00 0.80 C ATOM 1852 O LEU A 125 -6.027 -2.200 -0.120 1.00 1.02 O ATOM 1853 CB LEU A 125 -3.547 -0.412 0.286 1.00 0.70 C ATOM 1854 CG LEU A 125 -3.324 -0.013 -1.175 1.00 0.74 C ATOM 1855 CD1 LEU A 125 -3.661 -1.128 -2.164 1.00 0.82 C ATOM 1856 CD2 LEU A 125 -4.046 1.282 -1.538 1.00 0.80 C ATOM 0 H LEU A 125 -4.958 -1.908 2.172 1.00 0.72 H new ATOM 0 HA LEU A 125 -5.221 0.766 0.851 1.00 0.73 H new ATOM 0 HB2 LEU A 125 -2.887 0.198 0.903 1.00 0.70 H new ATOM 0 HB3 LEU A 125 -3.225 -1.447 0.402 1.00 0.70 H new ATOM 0 HG LEU A 125 -2.253 0.168 -1.264 1.00 0.74 H new ATOM 0 HD11 LEU A 125 -3.481 -0.779 -3.181 1.00 0.82 H new ATOM 0 HD12 LEU A 125 -3.033 -1.996 -1.962 1.00 0.82 H new ATOM 0 HD13 LEU A 125 -4.710 -1.405 -2.056 1.00 0.82 H new ATOM 0 HD21 LEU A 125 -3.857 1.523 -2.584 1.00 0.80 H new ATOM 0 HD22 LEU A 125 -5.118 1.157 -1.382 1.00 0.80 H new ATOM 0 HD23 LEU A 125 -3.680 2.092 -0.907 1.00 0.80 H new ATOM 1868 N GLY A 126 -7.045 -0.226 -0.429 1.00 0.66 N ATOM 1869 CA GLY A 126 -8.185 -0.719 -1.197 1.00 0.66 C ATOM 1870 C GLY A 126 -8.091 -0.206 -2.632 1.00 0.74 C ATOM 1871 O GLY A 126 -7.151 0.501 -2.984 1.00 1.13 O ATOM 0 H GLY A 126 -7.074 0.783 -0.281 1.00 0.66 H new ATOM 0 HA2 GLY A 126 -8.199 -1.809 -1.189 1.00 0.66 H new ATOM 0 HA3 GLY A 126 -9.117 -0.385 -0.740 1.00 0.66 H new ATOM 1875 N ILE A 127 -9.036 -0.606 -3.484 1.00 0.85 N ATOM 1876 CA ILE A 127 -9.059 -0.272 -4.902 1.00 0.84 C ATOM 1877 C ILE A 127 -10.424 0.332 -5.223 1.00 0.88 C ATOM 1878 O ILE A 127 -11.450 -0.223 -4.835 1.00 1.03 O ATOM 1879 CB ILE A 127 -8.705 -1.532 -5.720 1.00 0.98 C ATOM 1880 CG1 ILE A 127 -8.646 -1.293 -7.242 1.00 1.27 C ATOM 1881 CG2 ILE A 127 -9.603 -2.728 -5.383 1.00 1.29 C ATOM 1882 CD1 ILE A 127 -9.957 -1.602 -7.974 1.00 2.52 C ATOM 0 H ILE A 127 -9.825 -1.185 -3.196 1.00 0.85 H new ATOM 0 HA ILE A 127 -8.313 0.476 -5.170 1.00 0.84 H new ATOM 0 HB ILE A 127 -7.690 -1.782 -5.410 1.00 0.98 H new ATOM 0 HG12 ILE A 127 -8.376 -0.253 -7.426 1.00 1.27 H new ATOM 0 HG13 ILE A 127 -7.852 -1.908 -7.665 1.00 1.27 H new ATOM 0 HG21 ILE A 127 -9.309 -3.586 -5.988 1.00 1.29 H new ATOM 0 HG22 ILE A 127 -9.498 -2.976 -4.327 1.00 1.29 H new ATOM 0 HG23 ILE A 127 -10.642 -2.474 -5.594 1.00 1.29 H new ATOM 0 HD11 ILE A 127 -9.833 -1.409 -9.040 1.00 2.52 H new ATOM 0 HD12 ILE A 127 -10.220 -2.649 -7.823 1.00 2.52 H new ATOM 0 HD13 ILE A 127 -10.752 -0.968 -7.580 1.00 2.52 H new ATOM 1894 N PHE A 128 -10.458 1.484 -5.901 1.00 0.93 N ATOM 1895 CA PHE A 128 -11.713 2.077 -6.333 1.00 1.05 C ATOM 1896 C PHE A 128 -12.301 1.214 -7.446 1.00 1.04 C ATOM 1897 O PHE A 128 -11.955 1.382 -8.622 1.00 1.56 O ATOM 1898 CB PHE A 128 -11.521 3.539 -6.751 1.00 2.05 C ATOM 1899 CG PHE A 128 -12.823 4.294 -6.930 1.00 2.91 C ATOM 1900 CD1 PHE A 128 -13.365 5.021 -5.853 1.00 3.50 C ATOM 1901 CD2 PHE A 128 -13.516 4.244 -8.155 1.00 4.13 C ATOM 1902 CE1 PHE A 128 -14.584 5.705 -6.005 1.00 4.54 C ATOM 1903 CE2 PHE A 128 -14.739 4.920 -8.302 1.00 5.12 C ATOM 1904 CZ PHE A 128 -15.272 5.654 -7.229 1.00 5.10 C ATOM 0 H PHE A 128 -9.628 2.018 -6.159 1.00 0.93 H new ATOM 0 HA PHE A 128 -12.422 2.100 -5.505 1.00 1.05 H new ATOM 0 HB2 PHE A 128 -10.916 4.047 -6.000 1.00 2.05 H new ATOM 0 HB3 PHE A 128 -10.961 3.571 -7.685 1.00 2.05 H new ATOM 0 HD1 PHE A 128 -12.843 5.053 -4.908 1.00 3.50 H new ATOM 0 HD2 PHE A 128 -13.106 3.685 -8.983 1.00 4.13 H new ATOM 0 HE1 PHE A 128 -14.992 6.270 -5.180 1.00 4.54 H new ATOM 0 HE2 PHE A 128 -15.270 4.875 -9.241 1.00 5.12 H new ATOM 0 HZ PHE A 128 -16.209 6.178 -7.345 1.00 5.10 H new ATOM 1914 N GLY A 129 -13.163 0.268 -7.060 1.00 1.77 N ATOM 1915 CA GLY A 129 -13.742 -0.749 -7.920 1.00 2.91 C ATOM 1916 C GLY A 129 -14.779 -0.214 -8.906 1.00 2.15 C ATOM 1917 O GLY A 129 -15.833 -0.823 -9.082 1.00 3.12 O ATOM 0 H GLY A 129 -13.486 0.194 -6.095 1.00 1.77 H new ATOM 0 HA2 GLY A 129 -12.942 -1.236 -8.478 1.00 2.91 H new ATOM 0 HA3 GLY A 129 -14.208 -1.514 -7.298 1.00 2.91 H new ATOM 1921 N GLY A 130 -14.448 0.853 -9.635 1.00 1.81 N ATOM 1922 CA GLY A 130 -15.000 1.089 -10.954 1.00 2.60 C ATOM 1923 C GLY A 130 -14.169 0.239 -11.908 1.00 2.38 C ATOM 1924 O GLY A 130 -14.570 -0.877 -12.240 1.00 2.85 O ATOM 0 H GLY A 130 -13.793 1.570 -9.323 1.00 1.81 H new ATOM 0 HA2 GLY A 130 -16.052 0.807 -10.994 1.00 2.60 H new ATOM 0 HA3 GLY A 130 -14.942 2.145 -11.219 1.00 2.60 H new ATOM 1928 N LYS A 131 -12.979 0.737 -12.267 1.00 2.05 N ATOM 1929 CA LYS A 131 -11.992 0.017 -13.072 1.00 1.89 C ATOM 1930 C LYS A 131 -10.668 -0.205 -12.322 1.00 1.53 C ATOM 1931 O LYS A 131 -9.803 -0.887 -12.860 1.00 1.84 O ATOM 1932 CB LYS A 131 -11.741 0.775 -14.394 1.00 2.01 C ATOM 1933 CG LYS A 131 -11.013 2.112 -14.183 1.00 2.10 C ATOM 1934 CD LYS A 131 -10.492 2.736 -15.486 1.00 2.53 C ATOM 1935 CE LYS A 131 -9.822 4.099 -15.226 1.00 3.43 C ATOM 1936 NZ LYS A 131 -8.639 4.026 -14.337 1.00 4.67 N ATOM 0 H LYS A 131 -12.672 1.672 -11.999 1.00 2.05 H new ATOM 0 HA LYS A 131 -12.403 -0.970 -13.286 1.00 1.89 H new ATOM 0 HB2 LYS A 131 -11.152 0.147 -15.062 1.00 2.01 H new ATOM 0 HB3 LYS A 131 -12.695 0.959 -14.889 1.00 2.01 H new ATOM 0 HG2 LYS A 131 -11.692 2.814 -13.699 1.00 2.10 H new ATOM 0 HG3 LYS A 131 -10.175 1.958 -13.503 1.00 2.10 H new ATOM 0 HD2 LYS A 131 -9.776 2.060 -15.954 1.00 2.53 H new ATOM 0 HD3 LYS A 131 -11.317 2.862 -16.187 1.00 2.53 H new ATOM 0 HE2 LYS A 131 -9.521 4.533 -16.180 1.00 3.43 H new ATOM 0 HE3 LYS A 131 -10.555 4.775 -14.785 1.00 3.43 H new ATOM 0 HZ1 LYS A 131 -8.457 4.963 -13.923 1.00 4.67 H new ATOM 0 HZ2 LYS A 131 -8.818 3.340 -13.576 1.00 4.67 H new ATOM 0 HZ3 LYS A 131 -7.810 3.724 -14.887 1.00 4.67 H new ATOM 1950 N ALA A 132 -10.480 0.440 -11.157 1.00 1.59 N ATOM 1951 CA ALA A 132 -9.195 0.842 -10.584 1.00 1.48 C ATOM 1952 C ALA A 132 -8.932 2.283 -11.023 1.00 1.61 C ATOM 1953 O ALA A 132 -8.365 2.518 -12.090 1.00 2.13 O ATOM 1954 CB ALA A 132 -8.012 -0.083 -10.916 1.00 1.57 C ATOM 0 H ALA A 132 -11.265 0.706 -10.563 1.00 1.59 H new ATOM 0 HA ALA A 132 -9.271 0.762 -9.500 1.00 1.48 H new ATOM 0 HB1 ALA A 132 -7.107 0.301 -10.446 1.00 1.57 H new ATOM 0 HB2 ALA A 132 -8.218 -1.086 -10.542 1.00 1.57 H new ATOM 0 HB3 ALA A 132 -7.872 -0.121 -11.996 1.00 1.57 H new ATOM 1960 N GLN A 133 -9.427 3.252 -10.250 1.00 1.39 N ATOM 1961 CA GLN A 133 -9.257 4.680 -10.531 1.00 1.48 C ATOM 1962 C GLN A 133 -8.286 5.326 -9.555 1.00 1.25 C ATOM 1963 O GLN A 133 -7.411 6.079 -9.973 1.00 1.41 O ATOM 1964 CB GLN A 133 -10.608 5.399 -10.479 1.00 1.76 C ATOM 1965 CG GLN A 133 -11.545 4.861 -11.561 1.00 1.88 C ATOM 1966 CD GLN A 133 -12.924 5.505 -11.502 1.00 3.06 C ATOM 1967 OE1 GLN A 133 -13.064 6.700 -11.278 1.00 3.77 O ATOM 1968 NE2 GLN A 133 -13.959 4.701 -11.716 1.00 3.94 N ATOM 0 H GLN A 133 -9.963 3.066 -9.402 1.00 1.39 H new ATOM 0 HA GLN A 133 -8.841 4.773 -11.534 1.00 1.48 H new ATOM 0 HB2 GLN A 133 -11.061 5.263 -9.497 1.00 1.76 H new ATOM 0 HB3 GLN A 133 -10.462 6.470 -10.617 1.00 1.76 H new ATOM 0 HG2 GLN A 133 -11.104 5.039 -12.542 1.00 1.88 H new ATOM 0 HG3 GLN A 133 -11.645 3.781 -11.448 1.00 1.88 H new ATOM 0 HE21 GLN A 133 -13.805 3.710 -11.900 1.00 3.94 H new ATOM 0 HE22 GLN A 133 -14.908 5.075 -11.697 1.00 3.94 H new ATOM 1977 N GLU A 134 -8.452 4.999 -8.274 1.00 1.03 N ATOM 1978 CA GLU A 134 -7.552 5.349 -7.198 1.00 0.91 C ATOM 1979 C GLU A 134 -7.396 4.074 -6.377 1.00 0.75 C ATOM 1980 O GLU A 134 -8.351 3.296 -6.282 1.00 1.03 O ATOM 1981 CB GLU A 134 -8.127 6.505 -6.365 1.00 1.35 C ATOM 1982 CG GLU A 134 -8.457 7.735 -7.229 1.00 1.65 C ATOM 1983 CD GLU A 134 -8.558 9.017 -6.406 1.00 2.41 C ATOM 1984 OE1 GLU A 134 -8.822 8.896 -5.191 1.00 3.01 O ATOM 1985 OE2 GLU A 134 -8.359 10.097 -7.006 1.00 3.17 O ATOM 0 H GLU A 134 -9.256 4.459 -7.953 1.00 1.03 H new ATOM 0 HA GLU A 134 -6.586 5.701 -7.561 1.00 0.91 H new ATOM 0 HB2 GLU A 134 -9.029 6.169 -5.854 1.00 1.35 H new ATOM 0 HB3 GLU A 134 -7.410 6.787 -5.594 1.00 1.35 H new ATOM 0 HG2 GLU A 134 -7.688 7.856 -7.992 1.00 1.65 H new ATOM 0 HG3 GLU A 134 -9.399 7.567 -7.750 1.00 1.65 H new ATOM 1992 N VAL A 135 -6.212 3.846 -5.806 1.00 0.68 N ATOM 1993 CA VAL A 135 -6.009 2.848 -4.769 1.00 0.72 C ATOM 1994 C VAL A 135 -5.847 3.621 -3.461 1.00 0.90 C ATOM 1995 O VAL A 135 -4.756 4.063 -3.111 1.00 1.57 O ATOM 1996 CB VAL A 135 -4.877 1.849 -5.104 1.00 0.82 C ATOM 1997 CG1 VAL A 135 -5.280 0.977 -6.299 1.00 0.85 C ATOM 1998 CG2 VAL A 135 -3.488 2.436 -5.386 1.00 1.27 C ATOM 0 H VAL A 135 -5.364 4.355 -6.056 1.00 0.68 H new ATOM 0 HA VAL A 135 -6.864 2.179 -4.678 1.00 0.72 H new ATOM 0 HB VAL A 135 -4.766 1.280 -4.181 1.00 0.82 H new ATOM 0 HG11 VAL A 135 -4.476 0.277 -6.526 1.00 0.85 H new ATOM 0 HG12 VAL A 135 -6.186 0.422 -6.055 1.00 0.85 H new ATOM 0 HG13 VAL A 135 -5.465 1.611 -7.166 1.00 0.85 H new ATOM 0 HG21 VAL A 135 -2.790 1.629 -5.606 1.00 1.27 H new ATOM 0 HG22 VAL A 135 -3.545 3.110 -6.241 1.00 1.27 H new ATOM 0 HG23 VAL A 135 -3.141 2.987 -4.512 1.00 1.27 H new ATOM 2008 N ALA A 136 -6.964 3.871 -2.780 1.00 0.83 N ATOM 2009 CA ALA A 136 -6.970 4.674 -1.569 1.00 0.95 C ATOM 2010 C ALA A 136 -6.480 3.808 -0.411 1.00 0.94 C ATOM 2011 O ALA A 136 -6.857 2.636 -0.315 1.00 0.94 O ATOM 2012 CB ALA A 136 -8.382 5.202 -1.309 1.00 1.07 C ATOM 0 H ALA A 136 -7.883 3.523 -3.054 1.00 0.83 H new ATOM 0 HA ALA A 136 -6.307 5.533 -1.674 1.00 0.95 H new ATOM 0 HB1 ALA A 136 -8.384 5.804 -0.400 1.00 1.07 H new ATOM 0 HB2 ALA A 136 -8.702 5.816 -2.151 1.00 1.07 H new ATOM 0 HB3 ALA A 136 -9.068 4.363 -1.190 1.00 1.07 H new ATOM 2018 N GLY A 137 -5.630 4.363 0.455 1.00 0.95 N ATOM 2019 CA GLY A 137 -5.085 3.617 1.571 1.00 0.93 C ATOM 2020 C GLY A 137 -4.658 4.517 2.719 1.00 0.91 C ATOM 2021 O GLY A 137 -4.515 5.732 2.566 1.00 1.07 O ATOM 0 H GLY A 137 -5.309 5.329 0.397 1.00 0.95 H new ATOM 0 HA2 GLY A 137 -5.831 2.907 1.928 1.00 0.93 H new ATOM 0 HA3 GLY A 137 -4.228 3.035 1.231 1.00 0.93 H new ATOM 2025 N SER A 138 -4.408 3.876 3.858 1.00 0.77 N ATOM 2026 CA SER A 138 -3.908 4.505 5.064 1.00 0.66 C ATOM 2027 C SER A 138 -2.929 3.533 5.707 1.00 0.56 C ATOM 2028 O SER A 138 -3.232 2.339 5.772 1.00 0.66 O ATOM 2029 CB SER A 138 -5.073 4.788 6.019 1.00 0.86 C ATOM 2030 OG SER A 138 -6.028 5.626 5.396 1.00 1.78 O ATOM 0 H SER A 138 -4.555 2.872 3.964 1.00 0.77 H new ATOM 0 HA SER A 138 -3.416 5.451 4.837 1.00 0.66 H new ATOM 0 HB2 SER A 138 -5.542 3.851 6.318 1.00 0.86 H new ATOM 0 HB3 SER A 138 -4.701 5.262 6.927 1.00 0.86 H new ATOM 0 HG SER A 138 -6.767 5.797 6.016 1.00 1.78 H new ATOM 2036 N ALA A 139 -1.782 4.033 6.175 1.00 0.57 N ATOM 2037 CA ALA A 139 -0.853 3.284 7.010 1.00 0.58 C ATOM 2038 C ALA A 139 -0.665 3.961 8.361 1.00 0.57 C ATOM 2039 O ALA A 139 -0.590 5.189 8.438 1.00 0.65 O ATOM 2040 CB ALA A 139 0.499 3.102 6.315 1.00 0.68 C ATOM 0 H ALA A 139 -1.473 4.985 5.978 1.00 0.57 H new ATOM 0 HA ALA A 139 -1.286 2.297 7.175 1.00 0.58 H new ATOM 0 HB1 ALA A 139 1.169 2.539 6.965 1.00 0.68 H new ATOM 0 HB2 ALA A 139 0.358 2.558 5.381 1.00 0.68 H new ATOM 0 HB3 ALA A 139 0.934 4.079 6.104 1.00 0.68 H new ATOM 2046 N GLU A 140 -0.553 3.130 9.403 1.00 0.71 N ATOM 2047 CA GLU A 140 0.007 3.506 10.689 1.00 0.77 C ATOM 2048 C GLU A 140 1.432 2.957 10.703 1.00 0.74 C ATOM 2049 O GLU A 140 1.612 1.739 10.694 1.00 1.01 O ATOM 2050 CB GLU A 140 -0.843 2.971 11.854 1.00 0.92 C ATOM 2051 CG GLU A 140 -0.076 3.101 13.184 1.00 1.84 C ATOM 2052 CD GLU A 140 -0.947 3.337 14.408 1.00 2.10 C ATOM 2053 OE1 GLU A 140 -0.381 3.774 15.435 1.00 3.02 O ATOM 2054 OE2 GLU A 140 -2.184 3.198 14.337 1.00 2.58 O ATOM 0 H GLU A 140 -0.858 2.157 9.366 1.00 0.71 H new ATOM 0 HA GLU A 140 0.013 4.588 10.822 1.00 0.77 H new ATOM 0 HB2 GLU A 140 -1.780 3.524 11.912 1.00 0.92 H new ATOM 0 HB3 GLU A 140 -1.099 1.927 11.676 1.00 0.92 H new ATOM 0 HG2 GLU A 140 0.506 2.193 13.341 1.00 1.84 H new ATOM 0 HG3 GLU A 140 0.634 3.924 13.098 1.00 1.84 H new ATOM 2061 N VAL A 141 2.431 3.843 10.696 1.00 0.73 N ATOM 2062 CA VAL A 141 3.842 3.471 10.716 1.00 0.72 C ATOM 2063 C VAL A 141 4.531 4.274 11.810 1.00 0.70 C ATOM 2064 O VAL A 141 4.593 5.495 11.706 1.00 1.05 O ATOM 2065 CB VAL A 141 4.470 3.730 9.338 1.00 0.90 C ATOM 2066 CG1 VAL A 141 5.891 3.160 9.294 1.00 1.45 C ATOM 2067 CG2 VAL A 141 3.623 3.100 8.225 1.00 2.13 C ATOM 0 H VAL A 141 2.277 4.851 10.676 1.00 0.73 H new ATOM 0 HA VAL A 141 3.960 2.409 10.930 1.00 0.72 H new ATOM 0 HB VAL A 141 4.508 4.807 9.176 1.00 0.90 H new ATOM 0 HG11 VAL A 141 6.328 3.348 8.313 1.00 1.45 H new ATOM 0 HG12 VAL A 141 6.499 3.640 10.061 1.00 1.45 H new ATOM 0 HG13 VAL A 141 5.858 2.086 9.476 1.00 1.45 H new ATOM 0 HG21 VAL A 141 4.088 3.297 7.259 1.00 2.13 H new ATOM 0 HG22 VAL A 141 3.557 2.024 8.383 1.00 2.13 H new ATOM 0 HG23 VAL A 141 2.622 3.532 8.241 1.00 2.13 H new ATOM 2077 N LYS A 142 5.009 3.617 12.872 1.00 0.65 N ATOM 2078 CA LYS A 142 5.384 4.286 14.113 1.00 0.76 C ATOM 2079 C LYS A 142 6.733 3.771 14.617 1.00 0.96 C ATOM 2080 O LYS A 142 6.880 2.589 14.918 1.00 1.25 O ATOM 2081 CB LYS A 142 4.264 4.094 15.143 1.00 0.96 C ATOM 2082 CG LYS A 142 4.169 2.642 15.631 1.00 1.19 C ATOM 2083 CD LYS A 142 2.750 2.285 16.090 1.00 1.54 C ATOM 2084 CE LYS A 142 2.292 3.130 17.287 1.00 2.63 C ATOM 2085 NZ LYS A 142 0.866 2.902 17.592 1.00 3.17 N ATOM 0 H LYS A 142 5.145 2.606 12.891 1.00 0.65 H new ATOM 0 HA LYS A 142 5.506 5.355 13.938 1.00 0.76 H new ATOM 0 HB2 LYS A 142 4.439 4.751 15.995 1.00 0.96 H new ATOM 0 HB3 LYS A 142 3.312 4.391 14.702 1.00 0.96 H new ATOM 0 HG2 LYS A 142 4.471 1.969 14.829 1.00 1.19 H new ATOM 0 HG3 LYS A 142 4.866 2.489 16.455 1.00 1.19 H new ATOM 0 HD2 LYS A 142 2.056 2.428 15.261 1.00 1.54 H new ATOM 0 HD3 LYS A 142 2.713 1.229 16.359 1.00 1.54 H new ATOM 0 HE2 LYS A 142 2.896 2.884 18.160 1.00 2.63 H new ATOM 0 HE3 LYS A 142 2.456 4.186 17.073 1.00 2.63 H new ATOM 0 HZ1 LYS A 142 0.552 3.582 18.313 1.00 3.17 H new ATOM 0 HZ2 LYS A 142 0.302 3.029 16.728 1.00 3.17 H new ATOM 0 HZ3 LYS A 142 0.738 1.934 17.950 1.00 3.17 H new ATOM 2099 N THR A 143 7.718 4.659 14.734 1.00 1.09 N ATOM 2100 CA THR A 143 8.982 4.368 15.393 1.00 1.40 C ATOM 2101 C THR A 143 9.486 5.689 15.966 1.00 1.32 C ATOM 2102 O THR A 143 8.781 6.697 15.874 1.00 1.18 O ATOM 2103 CB THR A 143 10.010 3.777 14.410 1.00 1.64 C ATOM 2104 OG1 THR A 143 10.372 4.749 13.452 1.00 1.93 O ATOM 2105 CG2 THR A 143 9.555 2.489 13.722 1.00 2.31 C ATOM 0 H THR A 143 7.657 5.610 14.369 1.00 1.09 H new ATOM 0 HA THR A 143 8.841 3.622 16.175 1.00 1.40 H new ATOM 0 HB THR A 143 10.876 3.496 15.009 1.00 1.64 H new ATOM 0 HG1 THR A 143 11.176 4.455 12.976 1.00 1.93 H new ATOM 0 HG21 THR A 143 10.337 2.141 13.048 1.00 2.31 H new ATOM 0 HG22 THR A 143 9.358 1.725 14.474 1.00 2.31 H new ATOM 0 HG23 THR A 143 8.645 2.682 13.153 1.00 2.31 H new ATOM 2113 N VAL A 144 10.735 5.696 16.445 1.00 1.43 N ATOM 2114 CA VAL A 144 11.503 6.904 16.712 1.00 1.33 C ATOM 2115 C VAL A 144 11.324 7.920 15.577 1.00 1.22 C ATOM 2116 O VAL A 144 11.245 9.114 15.851 1.00 1.21 O ATOM 2117 CB VAL A 144 12.987 6.550 16.933 1.00 1.46 C ATOM 2118 CG1 VAL A 144 13.807 7.799 17.287 1.00 1.83 C ATOM 2119 CG2 VAL A 144 13.156 5.536 18.076 1.00 1.99 C ATOM 0 H VAL A 144 11.246 4.840 16.661 1.00 1.43 H new ATOM 0 HA VAL A 144 11.130 7.368 17.625 1.00 1.33 H new ATOM 0 HB VAL A 144 13.346 6.119 15.998 1.00 1.46 H new ATOM 0 HG11 VAL A 144 14.850 7.519 17.437 1.00 1.83 H new ATOM 0 HG12 VAL A 144 13.739 8.522 16.474 1.00 1.83 H new ATOM 0 HG13 VAL A 144 13.415 8.244 18.202 1.00 1.83 H new ATOM 0 HG21 VAL A 144 14.214 5.307 18.206 1.00 1.99 H new ATOM 0 HG22 VAL A 144 12.760 5.959 18.999 1.00 1.99 H new ATOM 0 HG23 VAL A 144 12.614 4.622 17.834 1.00 1.99 H new ATOM 2129 N ASN A 145 11.202 7.462 14.321 1.00 1.24 N ATOM 2130 CA ASN A 145 10.699 8.336 13.265 1.00 1.25 C ATOM 2131 C ASN A 145 9.775 7.510 12.382 1.00 1.31 C ATOM 2132 O ASN A 145 10.055 7.268 11.213 1.00 1.55 O ATOM 2133 CB ASN A 145 11.853 8.923 12.429 1.00 1.46 C ATOM 2134 CG ASN A 145 12.989 9.485 13.270 1.00 1.76 C ATOM 2135 OD1 ASN A 145 13.043 10.676 13.556 1.00 2.77 O ATOM 2136 ND2 ASN A 145 13.919 8.616 13.657 1.00 1.80 N ATOM 0 H ASN A 145 11.439 6.516 14.023 1.00 1.24 H new ATOM 0 HA ASN A 145 10.162 9.176 13.706 1.00 1.25 H new ATOM 0 HB2 ASN A 145 12.247 8.147 11.773 1.00 1.46 H new ATOM 0 HB3 ASN A 145 11.461 9.713 11.788 1.00 1.46 H new ATOM 0 HD21 ASN A 145 14.714 8.933 14.213 1.00 1.80 H new ATOM 0 HD22 ASN A 145 13.837 7.633 13.398 1.00 1.80 H new ATOM 2143 N GLY A 146 8.600 7.174 12.902 1.00 1.15 N ATOM 2144 CA GLY A 146 7.531 6.604 12.103 1.00 1.16 C ATOM 2145 C GLY A 146 6.442 7.651 12.091 1.00 0.73 C ATOM 2146 O GLY A 146 5.927 8.024 13.146 1.00 0.77 O ATOM 0 H GLY A 146 8.366 7.290 13.888 1.00 1.15 H new ATOM 0 HA2 GLY A 146 7.872 6.379 11.092 1.00 1.16 H new ATOM 0 HA3 GLY A 146 7.173 5.669 12.534 1.00 1.16 H new ATOM 2150 N ILE A 147 6.155 8.177 10.906 1.00 0.61 N ATOM 2151 CA ILE A 147 5.339 9.357 10.729 1.00 0.80 C ATOM 2152 C ILE A 147 3.854 8.982 10.821 1.00 1.03 C ATOM 2153 O ILE A 147 3.120 9.178 9.857 1.00 1.85 O ATOM 2154 CB ILE A 147 5.741 10.048 9.400 1.00 1.12 C ATOM 2155 CG1 ILE A 147 5.818 9.092 8.188 1.00 1.34 C ATOM 2156 CG2 ILE A 147 7.047 10.823 9.618 1.00 2.18 C ATOM 2157 CD1 ILE A 147 7.209 8.575 7.786 1.00 1.49 C ATOM 0 H ILE A 147 6.493 7.782 10.028 1.00 0.61 H new ATOM 0 HA ILE A 147 5.509 10.083 11.525 1.00 0.80 H new ATOM 0 HB ILE A 147 4.944 10.742 9.133 1.00 1.12 H new ATOM 0 HG12 ILE A 147 5.185 8.230 8.398 1.00 1.34 H new ATOM 0 HG13 ILE A 147 5.386 9.603 7.327 1.00 1.34 H new ATOM 0 HG21 ILE A 147 7.339 11.313 8.689 1.00 2.18 H new ATOM 0 HG22 ILE A 147 6.899 11.574 10.394 1.00 2.18 H new ATOM 0 HG23 ILE A 147 7.832 10.133 9.926 1.00 2.18 H new ATOM 0 HD11 ILE A 147 7.117 7.916 6.923 1.00 1.49 H new ATOM 0 HD12 ILE A 147 7.851 9.418 7.531 1.00 1.49 H new ATOM 0 HD13 ILE A 147 7.647 8.024 8.618 1.00 1.49 H new ATOM 2169 N ARG A 148 3.450 8.442 11.984 1.00 0.83 N ATOM 2170 CA ARG A 148 2.256 7.637 12.237 1.00 0.87 C ATOM 2171 C ARG A 148 1.334 7.521 11.029 1.00 0.87 C ATOM 2172 O ARG A 148 1.383 6.523 10.313 1.00 1.43 O ATOM 2173 CB ARG A 148 1.520 8.085 13.511 1.00 1.06 C ATOM 2174 CG ARG A 148 0.405 7.073 13.827 1.00 1.54 C ATOM 2175 CD ARG A 148 -0.405 7.410 15.080 1.00 1.81 C ATOM 2176 NE ARG A 148 -1.341 6.304 15.355 1.00 1.68 N ATOM 2177 CZ ARG A 148 -2.680 6.333 15.472 1.00 1.85 C ATOM 2178 NH1 ARG A 148 -3.361 7.481 15.420 1.00 2.30 N ATOM 2179 NH2 ARG A 148 -3.347 5.187 15.633 1.00 2.44 N ATOM 0 H ARG A 148 3.998 8.571 12.835 1.00 0.83 H new ATOM 0 HA ARG A 148 2.610 6.622 12.419 1.00 0.87 H new ATOM 0 HB2 ARG A 148 2.218 8.149 14.346 1.00 1.06 H new ATOM 0 HB3 ARG A 148 1.097 9.080 13.371 1.00 1.06 H new ATOM 0 HG2 ARG A 148 -0.271 7.015 12.974 1.00 1.54 H new ATOM 0 HG3 ARG A 148 0.849 6.085 13.949 1.00 1.54 H new ATOM 0 HD2 ARG A 148 0.261 7.561 15.930 1.00 1.81 H new ATOM 0 HD3 ARG A 148 -0.953 8.341 14.935 1.00 1.81 H new ATOM 0 HE ARG A 148 -0.911 5.387 15.473 1.00 1.68 H new ATOM 0 HH11 ARG A 148 -2.865 8.363 15.289 1.00 2.30 H new ATOM 0 HH12 ARG A 148 -4.377 7.476 15.511 1.00 2.30 H new ATOM 0 HH21 ARG A 148 -2.840 4.302 15.666 1.00 2.44 H new ATOM 0 HH22 ARG A 148 -4.363 5.197 15.723 1.00 2.44 H new ATOM 2193 N HIS A 149 0.484 8.534 10.848 1.00 0.61 N ATOM 2194 CA HIS A 149 -0.474 8.608 9.768 1.00 0.83 C ATOM 2195 C HIS A 149 0.270 8.870 8.463 1.00 0.91 C ATOM 2196 O HIS A 149 0.622 10.015 8.170 1.00 1.07 O ATOM 2197 CB HIS A 149 -1.488 9.721 10.060 1.00 0.97 C ATOM 2198 CG HIS A 149 -2.331 9.453 11.280 1.00 1.07 C ATOM 2199 ND1 HIS A 149 -3.580 8.878 11.285 1.00 2.39 N ATOM 2200 CD2 HIS A 149 -1.984 9.706 12.580 1.00 1.11 C ATOM 2201 CE1 HIS A 149 -3.974 8.786 12.566 1.00 2.14 C ATOM 2202 NE2 HIS A 149 -3.028 9.260 13.398 1.00 1.01 N ATOM 0 H HIS A 149 0.450 9.341 11.470 1.00 0.61 H new ATOM 0 HA HIS A 149 -1.018 7.668 9.677 1.00 0.83 H new ATOM 0 HB2 HIS A 149 -0.955 10.662 10.194 1.00 0.97 H new ATOM 0 HB3 HIS A 149 -2.141 9.845 9.196 1.00 0.97 H new ATOM 0 HD1 HIS A 149 -4.110 8.577 10.467 1.00 2.39 H new ATOM 0 HD2 HIS A 149 -1.067 10.168 12.915 1.00 1.11 H new ATOM 0 HE1 HIS A 149 -4.924 8.385 12.886 1.00 2.14 H new ATOM 2210 N ILE A 150 0.466 7.815 7.673 1.00 0.89 N ATOM 2211 CA ILE A 150 0.810 7.954 6.272 1.00 0.84 C ATOM 2212 C ILE A 150 -0.496 7.766 5.504 1.00 0.85 C ATOM 2213 O ILE A 150 -1.064 6.674 5.510 1.00 1.05 O ATOM 2214 CB ILE A 150 1.890 6.940 5.869 1.00 0.89 C ATOM 2215 CG1 ILE A 150 3.128 7.073 6.772 1.00 1.15 C ATOM 2216 CG2 ILE A 150 2.262 7.099 4.393 1.00 1.27 C ATOM 2217 CD1 ILE A 150 4.299 6.198 6.314 1.00 1.35 C ATOM 0 H ILE A 150 0.390 6.849 7.990 1.00 0.89 H new ATOM 0 HA ILE A 150 1.242 8.930 6.049 1.00 0.84 H new ATOM 0 HB ILE A 150 1.484 5.937 6.004 1.00 0.89 H new ATOM 0 HG12 ILE A 150 3.446 8.115 6.792 1.00 1.15 H new ATOM 0 HG13 ILE A 150 2.857 6.803 7.793 1.00 1.15 H new ATOM 0 HG21 ILE A 150 3.029 6.370 4.130 1.00 1.27 H new ATOM 0 HG22 ILE A 150 1.379 6.935 3.775 1.00 1.27 H new ATOM 0 HG23 ILE A 150 2.644 8.105 4.220 1.00 1.27 H new ATOM 0 HD11 ILE A 150 5.142 6.336 6.991 1.00 1.35 H new ATOM 0 HD12 ILE A 150 3.995 5.151 6.321 1.00 1.35 H new ATOM 0 HD13 ILE A 150 4.594 6.484 5.304 1.00 1.35 H new ATOM 2229 N GLY A 151 -0.995 8.828 4.876 1.00 0.73 N ATOM 2230 CA GLY A 151 -2.165 8.733 4.019 1.00 0.81 C ATOM 2231 C GLY A 151 -1.688 8.315 2.636 1.00 0.64 C ATOM 2232 O GLY A 151 -0.553 8.626 2.268 1.00 0.95 O ATOM 0 H GLY A 151 -0.602 9.767 4.948 1.00 0.73 H new ATOM 0 HA2 GLY A 151 -2.873 8.005 4.416 1.00 0.81 H new ATOM 0 HA3 GLY A 151 -2.684 9.690 3.972 1.00 0.81 H new ATOM 2236 N LEU A 152 -2.512 7.614 1.852 1.00 0.64 N ATOM 2237 CA LEU A 152 -2.127 7.341 0.480 1.00 1.02 C ATOM 2238 C LEU A 152 -3.317 7.342 -0.469 1.00 0.72 C ATOM 2239 O LEU A 152 -4.403 6.863 -0.146 1.00 0.63 O ATOM 2240 CB LEU A 152 -1.229 6.098 0.400 1.00 1.78 C ATOM 2241 CG LEU A 152 -1.933 4.758 0.227 1.00 0.90 C ATOM 2242 CD1 LEU A 152 -2.072 4.427 -1.266 1.00 0.80 C ATOM 2243 CD2 LEU A 152 -1.113 3.666 0.914 1.00 1.24 C ATOM 0 H LEU A 152 -3.417 7.240 2.137 1.00 0.64 H new ATOM 0 HA LEU A 152 -1.512 8.166 0.121 1.00 1.02 H new ATOM 0 HB2 LEU A 152 -0.538 6.230 -0.433 1.00 1.78 H new ATOM 0 HB3 LEU A 152 -0.628 6.053 1.308 1.00 1.78 H new ATOM 0 HG LEU A 152 -2.925 4.813 0.674 1.00 0.90 H new ATOM 0 HD11 LEU A 152 -2.576 3.467 -1.381 1.00 0.80 H new ATOM 0 HD12 LEU A 152 -2.656 5.205 -1.758 1.00 0.80 H new ATOM 0 HD13 LEU A 152 -1.083 4.373 -1.720 1.00 0.80 H new ATOM 0 HD21 LEU A 152 -1.613 2.705 0.793 1.00 1.24 H new ATOM 0 HD22 LEU A 152 -0.121 3.618 0.464 1.00 1.24 H new ATOM 0 HD23 LEU A 152 -1.019 3.895 1.976 1.00 1.24 H new ATOM 2255 N ALA A 153 -3.079 7.899 -1.653 1.00 0.83 N ATOM 2256 CA ALA A 153 -3.976 7.889 -2.788 1.00 0.87 C ATOM 2257 C ALA A 153 -3.117 7.566 -4.005 1.00 0.74 C ATOM 2258 O ALA A 153 -1.887 7.531 -3.901 1.00 0.73 O ATOM 2259 CB ALA A 153 -4.660 9.253 -2.919 1.00 1.25 C ATOM 0 H ALA A 153 -2.209 8.393 -1.849 1.00 0.83 H new ATOM 0 HA ALA A 153 -4.770 7.150 -2.681 1.00 0.87 H new ATOM 0 HB1 ALA A 153 -5.335 9.241 -3.775 1.00 1.25 H new ATOM 0 HB2 ALA A 153 -5.228 9.464 -2.013 1.00 1.25 H new ATOM 0 HB3 ALA A 153 -3.905 10.026 -3.063 1.00 1.25 H new ATOM 2265 N ALA A 154 -3.761 7.335 -5.145 1.00 0.93 N ATOM 2266 CA ALA A 154 -3.119 7.036 -6.410 1.00 0.90 C ATOM 2267 C ALA A 154 -4.072 7.452 -7.506 1.00 0.94 C ATOM 2268 O ALA A 154 -5.223 7.753 -7.201 1.00 1.09 O ATOM 2269 CB ALA A 154 -2.865 5.535 -6.510 1.00 1.02 C ATOM 0 H ALA A 154 -4.779 7.353 -5.210 1.00 0.93 H new ATOM 0 HA ALA A 154 -2.168 7.562 -6.495 1.00 0.90 H new ATOM 0 HB1 ALA A 154 -2.382 5.310 -7.461 1.00 1.02 H new ATOM 0 HB2 ALA A 154 -2.218 5.220 -5.691 1.00 1.02 H new ATOM 0 HB3 ALA A 154 -3.813 5.001 -6.449 1.00 1.02 H new ATOM 2275 N LYS A 155 -3.596 7.482 -8.752 1.00 0.96 N ATOM 2276 CA LYS A 155 -4.442 7.763 -9.901 1.00 1.00 C ATOM 2277 C LYS A 155 -4.058 6.871 -11.066 1.00 1.16 C ATOM 2278 O LYS A 155 -2.874 6.741 -11.376 1.00 1.63 O ATOM 2279 CB LYS A 155 -4.386 9.250 -10.275 1.00 1.48 C ATOM 2280 CG LYS A 155 -5.109 10.004 -9.162 1.00 1.50 C ATOM 2281 CD LYS A 155 -5.362 11.485 -9.438 1.00 1.85 C ATOM 2282 CE LYS A 155 -6.535 11.892 -8.530 1.00 2.91 C ATOM 2283 NZ LYS A 155 -6.826 13.336 -8.552 1.00 3.98 N ATOM 0 H LYS A 155 -2.618 7.313 -8.987 1.00 0.96 H new ATOM 0 HA LYS A 155 -5.476 7.540 -9.638 1.00 1.00 H new ATOM 0 HB2 LYS A 155 -3.354 9.589 -10.366 1.00 1.48 H new ATOM 0 HB3 LYS A 155 -4.865 9.426 -11.238 1.00 1.48 H new ATOM 0 HG2 LYS A 155 -6.066 9.517 -8.977 1.00 1.50 H new ATOM 0 HG3 LYS A 155 -4.524 9.916 -8.246 1.00 1.50 H new ATOM 0 HD2 LYS A 155 -4.475 12.080 -9.219 1.00 1.85 H new ATOM 0 HD3 LYS A 155 -5.606 11.650 -10.488 1.00 1.85 H new ATOM 0 HE2 LYS A 155 -7.427 11.346 -8.836 1.00 2.91 H new ATOM 0 HE3 LYS A 155 -6.313 11.590 -7.506 1.00 2.91 H new ATOM 0 HZ1 LYS A 155 -7.626 13.539 -7.919 1.00 3.98 H new ATOM 0 HZ2 LYS A 155 -5.989 13.864 -8.232 1.00 3.98 H new ATOM 0 HZ3 LYS A 155 -7.069 13.626 -9.521 1.00 3.98 H new ATOM 2297 N GLN A 156 -5.056 6.250 -11.691 1.00 1.30 N ATOM 2298 CA GLN A 156 -4.858 5.324 -12.781 1.00 1.78 C ATOM 2299 C GLN A 156 -6.129 5.231 -13.626 1.00 3.06 C ATOM 2300 O GLN A 156 -7.155 5.835 -13.238 1.00 4.15 O ATOM 2301 CB GLN A 156 -4.491 3.952 -12.215 1.00 1.80 C ATOM 2302 CG GLN A 156 -5.507 3.481 -11.167 1.00 2.21 C ATOM 2303 CD GLN A 156 -4.998 3.663 -9.745 1.00 2.92 C ATOM 2304 OE1 GLN A 156 -5.012 4.737 -9.162 1.00 4.39 O ATOM 2305 NE2 GLN A 156 -4.532 2.586 -9.147 1.00 2.88 N ATOM 0 H GLN A 156 -6.036 6.385 -11.443 1.00 1.30 H new ATOM 0 HA GLN A 156 -4.047 5.677 -13.418 1.00 1.78 H new ATOM 0 HB2 GLN A 156 -4.441 3.225 -13.026 1.00 1.80 H new ATOM 0 HB3 GLN A 156 -3.499 3.997 -11.766 1.00 1.80 H new ATOM 0 HG2 GLN A 156 -6.437 4.036 -11.291 1.00 2.21 H new ATOM 0 HG3 GLN A 156 -5.738 2.429 -11.336 1.00 2.21 H new ATOM 0 HE21 GLN A 156 -4.523 1.693 -9.639 1.00 2.88 H new ATOM 0 HE22 GLN A 156 -4.180 2.645 -8.192 1.00 2.88 H new