USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=31 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 131 LYS NZ :NH3+ 148:sc= 1.19 (180deg=0) USER MOD Set 1.2: A 156 GLN : amide:sc= 1.48 K(o=2.7,f=-6.3!) USER MOD Set 2.1: A 112 SER OG : rot 15:sc= 0.994 USER MOD Set 2.2: A 120 LYS NZ :NH3+ -159:sc= 1.3 (180deg=0) USER MOD Set 2.3: A 122 SER OG : rot 180:sc= 0.274 USER MOD Set 3.1: A 115 TYR OH : rot 39:sc= 0.752 USER MOD Set 3.2: A 116 ASN : amide:sc= 0.891 K(o=2.9,f=0.89) USER MOD Set 3.3: A 117 GLN : amide:sc= 1.26 K(o=2.9,f=0.89) USER MOD Set 4.1: A 79 ASN : amide:sc= -1.42 K(o=-0.2,f=-4.2) USER MOD Set 4.2: A 123 TYR OH : rot 12:sc= 1.21 USER MOD Set 5.1: A 68 THR OG1 : rot 160:sc= 0.42 USER MOD Set 5.2: A 70 THR OG1 : rot 132:sc= -0.475 USER MOD Set 6.1: A 41 SER OG : rot 180:sc= 1.04 USER MOD Set 6.2: A 76 LYS NZ :NH3+ -160:sc= 2.73 (180deg=0.869) USER MOD Single : A 39 HIS : no HD1:sc= -0.0904 K(o=-0.09,f=-0.74) USER MOD Single : A 40 THR OG1 : rot 85:sc= 0.718 USER MOD Single : A 44 LYS NZ :NH3+ -156:sc= -0.636 (180deg=-1.66) USER MOD Single : A 52 THR OG1 : rot -58:sc= 0.0492 USER MOD Single : A 53 TYR OH : rot 90:sc= -0.171 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 GLN :FLIP amide:sc= -0.464 F(o=-4.1!,f=-0.46) USER MOD Single : A 81 LYS NZ :NH3+ -165:sc= 0.34! (180deg=-0.336) USER MOD Single : A 84 HIS : no HE2:sc= -2.04 K(o=-2,f=-4.2) USER MOD Single : A 86 LYS NZ :NH3+ -127:sc= 0.136 (180deg=-1.68) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 1.62 K(o=1.6,f=-7!) USER MOD Single : A 100 LYS NZ :NH3+ -174:sc= 1.19 (180deg=1.13) USER MOD Single : A 104 LYS NZ :NH3+ -176:sc= 1.96 (180deg=1.58) USER MOD Single : A 106 HIS : no HE2:sc= 0.825 K(o=0.83,f=-5!) USER MOD Single : A 110 SER OG : rot -52:sc= 0.462 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -0.383 X(o=-0.38,f=-0.22) USER MOD Single : A 138 SER OG : rot 180:sc= -0.0196 USER MOD Single : A 142 LYS NZ :NH3+ 156:sc= 1.32 (180deg=0.0189) USER MOD Single : A 143 THR OG1 : rot -135:sc= 1.24 USER MOD Single : A 145 ASN : amide:sc= -0.274 X(o=-0.27,f=-0.27) USER MOD Single : A 149 HIS : no HD1:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 155 LYS NZ :NH3+ -112:sc= -0.639 (180deg=-6.29!) USER MOD ----------------------------------------------------------------- ATOM 560 N GLY A 37 -8.476 -12.844 -2.951 1.00 2.78 N ATOM 561 CA GLY A 37 -8.853 -11.973 -4.053 1.00 2.11 C ATOM 562 C GLY A 37 -10.370 -11.862 -4.133 1.00 1.93 C ATOM 563 O GLY A 37 -10.918 -10.827 -3.751 1.00 2.49 O ATOM 0 HA2 GLY A 37 -8.415 -10.985 -3.913 1.00 2.11 H new ATOM 0 HA3 GLY A 37 -8.459 -12.367 -4.990 1.00 2.11 H new ATOM 567 N GLU A 38 -11.021 -12.919 -4.631 1.00 1.69 N ATOM 568 CA GLU A 38 -12.465 -13.083 -4.731 1.00 1.66 C ATOM 569 C GLU A 38 -13.151 -11.791 -5.184 1.00 1.37 C ATOM 570 O GLU A 38 -13.048 -11.439 -6.359 1.00 1.33 O ATOM 571 CB GLU A 38 -13.010 -13.622 -3.400 1.00 2.14 C ATOM 572 CG GLU A 38 -12.471 -15.022 -3.076 1.00 2.65 C ATOM 573 CD GLU A 38 -12.614 -15.321 -1.592 1.00 3.76 C ATOM 574 OE1 GLU A 38 -13.769 -15.517 -1.158 1.00 4.29 O ATOM 575 OE2 GLU A 38 -11.568 -15.281 -0.909 1.00 4.92 O ATOM 0 H GLU A 38 -10.518 -13.728 -4.995 1.00 1.69 H new ATOM 0 HA GLU A 38 -12.693 -13.816 -5.505 1.00 1.66 H new ATOM 0 HB2 GLU A 38 -12.742 -12.937 -2.596 1.00 2.14 H new ATOM 0 HB3 GLU A 38 -14.099 -13.655 -3.442 1.00 2.14 H new ATOM 0 HG2 GLU A 38 -13.012 -15.769 -3.657 1.00 2.65 H new ATOM 0 HG3 GLU A 38 -11.423 -15.090 -3.367 1.00 2.65 H new ATOM 582 N HIS A 39 -13.753 -11.046 -4.243 1.00 1.37 N ATOM 583 CA HIS A 39 -14.368 -9.750 -4.395 1.00 1.49 C ATOM 584 C HIS A 39 -13.531 -8.898 -5.341 1.00 1.22 C ATOM 585 O HIS A 39 -14.016 -8.380 -6.337 1.00 1.27 O ATOM 586 CB HIS A 39 -14.451 -9.147 -2.985 1.00 1.91 C ATOM 587 CG HIS A 39 -15.566 -9.731 -2.155 1.00 2.60 C ATOM 588 ND1 HIS A 39 -15.535 -10.909 -1.438 1.00 3.29 N ATOM 589 CD2 HIS A 39 -16.819 -9.196 -2.019 1.00 3.55 C ATOM 590 CE1 HIS A 39 -16.746 -11.066 -0.875 1.00 4.02 C ATOM 591 NE2 HIS A 39 -17.560 -10.046 -1.196 1.00 4.26 N ATOM 0 H HIS A 39 -13.819 -11.378 -3.281 1.00 1.37 H new ATOM 0 HA HIS A 39 -15.365 -9.808 -4.831 1.00 1.49 H new ATOM 0 HB2 HIS A 39 -13.503 -9.307 -2.472 1.00 1.91 H new ATOM 0 HB3 HIS A 39 -14.592 -8.069 -3.065 1.00 1.91 H new ATOM 0 HD2 HIS A 39 -17.171 -8.279 -2.468 1.00 3.55 H new ATOM 0 HE1 HIS A 39 -17.027 -11.900 -0.249 1.00 4.02 H new ATOM 0 HE2 HIS A 39 -18.527 -9.918 -0.898 1.00 4.26 H new ATOM 599 N THR A 40 -12.241 -8.792 -5.053 1.00 1.17 N ATOM 600 CA THR A 40 -11.312 -7.971 -5.798 1.00 1.20 C ATOM 601 C THR A 40 -11.277 -8.329 -7.285 1.00 1.15 C ATOM 602 O THR A 40 -11.197 -7.448 -8.135 1.00 1.39 O ATOM 603 CB THR A 40 -9.936 -8.076 -5.135 1.00 1.37 C ATOM 604 OG1 THR A 40 -10.087 -8.204 -3.738 1.00 2.73 O ATOM 605 CG2 THR A 40 -9.104 -6.824 -5.407 1.00 2.82 C ATOM 0 H THR A 40 -11.807 -9.289 -4.275 1.00 1.17 H new ATOM 0 HA THR A 40 -11.645 -6.934 -5.770 1.00 1.20 H new ATOM 0 HB THR A 40 -9.431 -8.949 -5.550 1.00 1.37 H new ATOM 0 HG1 THR A 40 -10.237 -9.145 -3.510 1.00 2.73 H new ATOM 0 HG21 THR A 40 -8.131 -6.922 -4.926 1.00 2.82 H new ATOM 0 HG22 THR A 40 -8.967 -6.705 -6.482 1.00 2.82 H new ATOM 0 HG23 THR A 40 -9.620 -5.951 -5.008 1.00 2.82 H new ATOM 613 N SER A 41 -11.289 -9.622 -7.607 1.00 1.05 N ATOM 614 CA SER A 41 -11.369 -10.084 -8.986 1.00 1.11 C ATOM 615 C SER A 41 -12.782 -9.845 -9.539 1.00 1.28 C ATOM 616 O SER A 41 -12.956 -9.205 -10.574 1.00 1.44 O ATOM 617 CB SER A 41 -10.926 -11.551 -9.059 1.00 1.19 C ATOM 618 OG SER A 41 -9.801 -11.797 -8.229 1.00 2.01 O ATOM 0 H SER A 41 -11.244 -10.374 -6.919 1.00 1.05 H new ATOM 0 HA SER A 41 -10.690 -9.515 -9.621 1.00 1.11 H new ATOM 0 HB2 SER A 41 -11.751 -12.197 -8.757 1.00 1.19 H new ATOM 0 HB3 SER A 41 -10.682 -11.808 -10.090 1.00 1.19 H new ATOM 0 HG SER A 41 -9.545 -12.740 -8.297 1.00 2.01 H new ATOM 624 N PHE A 42 -13.787 -10.343 -8.815 1.00 1.37 N ATOM 625 CA PHE A 42 -15.221 -10.223 -9.073 1.00 1.71 C ATOM 626 C PHE A 42 -15.648 -8.793 -9.435 1.00 1.92 C ATOM 627 O PHE A 42 -16.495 -8.608 -10.307 1.00 2.25 O ATOM 628 CB PHE A 42 -15.946 -10.735 -7.820 1.00 1.91 C ATOM 629 CG PHE A 42 -17.431 -10.459 -7.734 1.00 2.15 C ATOM 630 CD1 PHE A 42 -17.892 -9.396 -6.934 1.00 3.57 C ATOM 631 CD2 PHE A 42 -18.350 -11.364 -8.296 1.00 2.20 C ATOM 632 CE1 PHE A 42 -19.262 -9.270 -6.653 1.00 3.97 C ATOM 633 CE2 PHE A 42 -19.720 -11.243 -8.003 1.00 2.59 C ATOM 634 CZ PHE A 42 -20.177 -10.195 -7.186 1.00 3.08 C ATOM 0 H PHE A 42 -13.604 -10.882 -7.969 1.00 1.37 H new ATOM 0 HA PHE A 42 -15.487 -10.818 -9.946 1.00 1.71 H new ATOM 0 HB2 PHE A 42 -15.796 -11.813 -7.757 1.00 1.91 H new ATOM 0 HB3 PHE A 42 -15.467 -10.294 -6.946 1.00 1.91 H new ATOM 0 HD1 PHE A 42 -17.191 -8.677 -6.536 1.00 3.57 H new ATOM 0 HD2 PHE A 42 -18.004 -12.150 -8.951 1.00 2.20 H new ATOM 0 HE1 PHE A 42 -19.613 -8.463 -6.027 1.00 3.97 H new ATOM 0 HE2 PHE A 42 -20.422 -11.957 -8.407 1.00 2.59 H new ATOM 0 HZ PHE A 42 -21.230 -10.100 -6.968 1.00 3.08 H new ATOM 644 N ASP A 43 -15.047 -7.786 -8.794 1.00 1.80 N ATOM 645 CA ASP A 43 -15.282 -6.363 -9.039 1.00 2.07 C ATOM 646 C ASP A 43 -15.060 -6.000 -10.515 1.00 2.11 C ATOM 647 O ASP A 43 -15.630 -5.023 -11.000 1.00 2.75 O ATOM 648 CB ASP A 43 -14.382 -5.543 -8.098 1.00 2.11 C ATOM 649 CG ASP A 43 -14.797 -4.083 -7.948 1.00 2.41 C ATOM 650 OD1 ASP A 43 -13.881 -3.255 -7.739 1.00 3.40 O ATOM 651 OD2 ASP A 43 -16.016 -3.811 -7.947 1.00 2.98 O ATOM 0 H ASP A 43 -14.356 -7.948 -8.061 1.00 1.80 H new ATOM 0 HA ASP A 43 -16.324 -6.125 -8.826 1.00 2.07 H new ATOM 0 HB2 ASP A 43 -14.382 -6.012 -7.114 1.00 2.11 H new ATOM 0 HB3 ASP A 43 -13.358 -5.581 -8.469 1.00 2.11 H new ATOM 656 N LYS A 44 -14.267 -6.822 -11.223 1.00 1.64 N ATOM 657 CA LYS A 44 -14.075 -6.960 -12.664 1.00 1.71 C ATOM 658 C LYS A 44 -12.628 -6.620 -12.972 1.00 1.68 C ATOM 659 O LYS A 44 -12.330 -5.709 -13.743 1.00 2.01 O ATOM 660 CB LYS A 44 -15.107 -6.228 -13.538 1.00 2.01 C ATOM 661 CG LYS A 44 -16.477 -6.920 -13.401 1.00 2.79 C ATOM 662 CD LYS A 44 -17.696 -5.991 -13.308 1.00 3.25 C ATOM 663 CE LYS A 44 -17.968 -5.170 -14.575 1.00 3.36 C ATOM 664 NZ LYS A 44 -16.936 -4.141 -14.801 1.00 3.28 N ATOM 0 H LYS A 44 -13.673 -7.487 -10.728 1.00 1.64 H new ATOM 0 HA LYS A 44 -14.271 -7.995 -12.945 1.00 1.71 H new ATOM 0 HB2 LYS A 44 -15.183 -5.184 -13.234 1.00 2.01 H new ATOM 0 HB3 LYS A 44 -14.787 -6.234 -14.580 1.00 2.01 H new ATOM 0 HG2 LYS A 44 -16.614 -7.582 -14.256 1.00 2.79 H new ATOM 0 HG3 LYS A 44 -16.456 -7.549 -12.511 1.00 2.79 H new ATOM 0 HD2 LYS A 44 -18.578 -6.591 -13.083 1.00 3.25 H new ATOM 0 HD3 LYS A 44 -17.553 -5.307 -12.471 1.00 3.25 H new ATOM 0 HE2 LYS A 44 -18.010 -5.837 -15.436 1.00 3.36 H new ATOM 0 HE3 LYS A 44 -18.944 -4.692 -14.494 1.00 3.36 H new ATOM 0 HZ1 LYS A 44 -17.331 -3.375 -15.382 1.00 3.28 H new ATOM 0 HZ2 LYS A 44 -16.623 -3.756 -13.887 1.00 3.28 H new ATOM 0 HZ3 LYS A 44 -16.124 -4.566 -15.294 1.00 3.28 H new ATOM 678 N LEU A 45 -11.743 -7.398 -12.345 1.00 1.49 N ATOM 679 CA LEU A 45 -10.307 -7.345 -12.502 1.00 1.53 C ATOM 680 C LEU A 45 -9.791 -8.762 -12.763 1.00 1.63 C ATOM 681 O LEU A 45 -10.248 -9.705 -12.117 1.00 2.26 O ATOM 682 CB LEU A 45 -9.653 -6.776 -11.240 1.00 1.59 C ATOM 683 CG LEU A 45 -9.968 -5.293 -11.016 1.00 1.48 C ATOM 684 CD1 LEU A 45 -9.316 -4.843 -9.709 1.00 1.79 C ATOM 685 CD2 LEU A 45 -9.419 -4.438 -12.164 1.00 2.40 C ATOM 0 H LEU A 45 -12.035 -8.116 -11.682 1.00 1.49 H new ATOM 0 HA LEU A 45 -10.055 -6.695 -13.340 1.00 1.53 H new ATOM 0 HB2 LEU A 45 -9.989 -7.347 -10.375 1.00 1.59 H new ATOM 0 HB3 LEU A 45 -8.573 -6.906 -11.308 1.00 1.59 H new ATOM 0 HG LEU A 45 -11.050 -5.167 -10.973 1.00 1.48 H new ATOM 0 HD11 LEU A 45 -9.533 -3.789 -9.538 1.00 1.79 H new ATOM 0 HD12 LEU A 45 -9.712 -5.433 -8.883 1.00 1.79 H new ATOM 0 HD13 LEU A 45 -8.237 -4.986 -9.773 1.00 1.79 H new ATOM 0 HD21 LEU A 45 -9.655 -3.390 -11.982 1.00 2.40 H new ATOM 0 HD22 LEU A 45 -8.338 -4.561 -12.224 1.00 2.40 H new ATOM 0 HD23 LEU A 45 -9.873 -4.755 -13.103 1.00 2.40 H new ATOM 697 N PRO A 46 -8.838 -8.909 -13.693 1.00 1.32 N ATOM 698 CA PRO A 46 -8.326 -10.190 -14.157 1.00 1.50 C ATOM 699 C PRO A 46 -7.425 -10.852 -13.105 1.00 1.62 C ATOM 700 O PRO A 46 -7.466 -10.507 -11.920 1.00 1.92 O ATOM 701 CB PRO A 46 -7.581 -9.839 -15.458 1.00 1.67 C ATOM 702 CG PRO A 46 -7.080 -8.418 -15.210 1.00 1.68 C ATOM 703 CD PRO A 46 -8.243 -7.811 -14.433 1.00 1.44 C ATOM 0 HA PRO A 46 -9.110 -10.928 -14.330 1.00 1.50 H new ATOM 0 HB2 PRO A 46 -6.757 -10.528 -15.647 1.00 1.67 H new ATOM 0 HB3 PRO A 46 -8.241 -9.886 -16.324 1.00 1.67 H new ATOM 0 HG2 PRO A 46 -6.153 -8.405 -14.636 1.00 1.68 H new ATOM 0 HG3 PRO A 46 -6.886 -7.884 -16.140 1.00 1.68 H new ATOM 0 HD2 PRO A 46 -7.897 -7.027 -13.759 1.00 1.44 H new ATOM 0 HD3 PRO A 46 -8.968 -7.355 -15.107 1.00 1.44 H new ATOM 711 N GLU A 47 -6.599 -11.796 -13.566 1.00 2.00 N ATOM 712 CA GLU A 47 -5.620 -12.562 -12.810 1.00 2.54 C ATOM 713 C GLU A 47 -4.184 -12.223 -13.259 1.00 2.01 C ATOM 714 O GLU A 47 -3.258 -13.000 -13.046 1.00 2.65 O ATOM 715 CB GLU A 47 -5.960 -14.056 -12.959 1.00 3.63 C ATOM 716 CG GLU A 47 -6.254 -14.493 -14.405 1.00 3.96 C ATOM 717 CD GLU A 47 -6.585 -15.978 -14.462 1.00 5.23 C ATOM 718 OE1 GLU A 47 -7.785 -16.282 -14.637 1.00 6.22 O ATOM 719 OE2 GLU A 47 -5.635 -16.775 -14.315 1.00 5.61 O ATOM 0 H GLU A 47 -6.602 -12.060 -14.551 1.00 2.00 H new ATOM 0 HA GLU A 47 -5.663 -12.301 -11.753 1.00 2.54 H new ATOM 0 HB2 GLU A 47 -5.129 -14.647 -12.574 1.00 3.63 H new ATOM 0 HB3 GLU A 47 -6.827 -14.284 -12.339 1.00 3.63 H new ATOM 0 HG2 GLU A 47 -7.088 -13.914 -14.803 1.00 3.96 H new ATOM 0 HG3 GLU A 47 -5.390 -14.283 -15.036 1.00 3.96 H new ATOM 726 N GLY A 48 -3.997 -11.047 -13.874 1.00 1.40 N ATOM 727 CA GLY A 48 -2.711 -10.577 -14.380 1.00 1.54 C ATOM 728 C GLY A 48 -1.688 -10.256 -13.281 1.00 0.98 C ATOM 729 O GLY A 48 -1.911 -10.523 -12.103 1.00 2.01 O ATOM 0 H GLY A 48 -4.756 -10.385 -14.034 1.00 1.40 H new ATOM 0 HA2 GLY A 48 -2.293 -11.336 -15.041 1.00 1.54 H new ATOM 0 HA3 GLY A 48 -2.874 -9.684 -14.983 1.00 1.54 H new ATOM 733 N GLY A 49 -0.564 -9.639 -13.673 1.00 1.14 N ATOM 734 CA GLY A 49 0.647 -9.588 -12.858 1.00 0.91 C ATOM 735 C GLY A 49 1.002 -8.229 -12.238 1.00 0.94 C ATOM 736 O GLY A 49 1.874 -8.180 -11.374 1.00 1.54 O ATOM 0 H GLY A 49 -0.474 -9.161 -14.569 1.00 1.14 H new ATOM 0 HA2 GLY A 49 0.546 -10.314 -12.052 1.00 0.91 H new ATOM 0 HA3 GLY A 49 1.486 -9.911 -13.474 1.00 0.91 H new ATOM 740 N ARG A 50 0.426 -7.104 -12.676 1.00 0.82 N ATOM 741 CA ARG A 50 0.869 -5.793 -12.210 1.00 0.79 C ATOM 742 C ARG A 50 -0.227 -4.727 -12.347 1.00 0.85 C ATOM 743 O ARG A 50 -0.408 -4.190 -13.438 1.00 1.32 O ATOM 744 CB ARG A 50 2.163 -5.407 -12.957 1.00 0.92 C ATOM 745 CG ARG A 50 3.085 -4.570 -12.061 1.00 2.03 C ATOM 746 CD ARG A 50 4.324 -5.333 -11.562 1.00 2.52 C ATOM 747 NE ARG A 50 4.000 -6.654 -10.992 1.00 3.36 N ATOM 748 CZ ARG A 50 4.893 -7.568 -10.581 1.00 4.07 C ATOM 749 NH1 ARG A 50 6.185 -7.232 -10.494 1.00 4.40 N ATOM 750 NH2 ARG A 50 4.511 -8.808 -10.271 1.00 5.06 N ATOM 0 H ARG A 50 -0.342 -7.078 -13.347 1.00 0.82 H new ATOM 0 HA ARG A 50 1.083 -5.849 -11.143 1.00 0.79 H new ATOM 0 HB2 ARG A 50 2.684 -6.309 -13.280 1.00 0.92 H new ATOM 0 HB3 ARG A 50 1.914 -4.844 -13.856 1.00 0.92 H new ATOM 0 HG2 ARG A 50 3.411 -3.688 -12.613 1.00 2.03 H new ATOM 0 HG3 ARG A 50 2.517 -4.216 -11.201 1.00 2.03 H new ATOM 0 HD2 ARG A 50 5.021 -5.462 -12.390 1.00 2.52 H new ATOM 0 HD3 ARG A 50 4.833 -4.733 -10.807 1.00 2.52 H new ATOM 0 HE ARG A 50 3.013 -6.894 -10.902 1.00 3.36 H new ATOM 0 HH11 ARG A 50 6.484 -6.288 -10.739 1.00 4.40 H new ATOM 0 HH12 ARG A 50 6.871 -7.920 -10.183 1.00 4.40 H new ATOM 0 HH21 ARG A 50 3.529 -9.073 -10.345 1.00 5.06 H new ATOM 0 HH22 ARG A 50 5.201 -9.492 -9.960 1.00 5.06 H new ATOM 764 N ALA A 51 -0.954 -4.389 -11.270 1.00 0.87 N ATOM 765 CA ALA A 51 -1.877 -3.257 -11.323 1.00 0.88 C ATOM 766 C ALA A 51 -1.142 -1.930 -11.157 1.00 0.87 C ATOM 767 O ALA A 51 -0.104 -1.859 -10.501 1.00 1.42 O ATOM 768 CB ALA A 51 -2.979 -3.350 -10.272 1.00 1.36 C ATOM 0 H ALA A 51 -0.919 -4.874 -10.373 1.00 0.87 H new ATOM 0 HA ALA A 51 -2.339 -3.297 -12.309 1.00 0.88 H new ATOM 0 HB1 ALA A 51 -3.636 -2.484 -10.356 1.00 1.36 H new ATOM 0 HB2 ALA A 51 -3.557 -4.261 -10.430 1.00 1.36 H new ATOM 0 HB3 ALA A 51 -2.533 -3.372 -9.278 1.00 1.36 H new ATOM 774 N THR A 52 -1.722 -0.872 -11.726 1.00 0.73 N ATOM 775 CA THR A 52 -1.113 0.441 -11.892 1.00 0.84 C ATOM 776 C THR A 52 -1.154 1.267 -10.591 1.00 1.10 C ATOM 777 O THR A 52 -1.689 2.373 -10.543 1.00 1.58 O ATOM 778 CB THR A 52 -1.765 1.119 -13.117 1.00 1.15 C ATOM 779 OG1 THR A 52 -1.120 2.331 -13.448 1.00 1.46 O ATOM 780 CG2 THR A 52 -3.276 1.354 -12.980 1.00 1.55 C ATOM 0 H THR A 52 -2.671 -0.913 -12.099 1.00 0.73 H new ATOM 0 HA THR A 52 -0.046 0.350 -12.095 1.00 0.84 H new ATOM 0 HB THR A 52 -1.633 0.403 -13.928 1.00 1.15 H new ATOM 0 HG1 THR A 52 -1.151 2.938 -12.680 1.00 1.46 H new ATOM 0 HG21 THR A 52 -3.653 1.834 -13.883 1.00 1.55 H new ATOM 0 HG22 THR A 52 -3.781 0.399 -12.838 1.00 1.55 H new ATOM 0 HG23 THR A 52 -3.468 1.997 -12.121 1.00 1.55 H new ATOM 788 N TYR A 53 -0.542 0.760 -9.514 1.00 1.32 N ATOM 789 CA TYR A 53 -0.502 1.474 -8.238 1.00 1.78 C ATOM 790 C TYR A 53 0.574 2.566 -8.281 1.00 1.63 C ATOM 791 O TYR A 53 1.588 2.497 -7.588 1.00 2.04 O ATOM 792 CB TYR A 53 -0.300 0.513 -7.054 1.00 2.16 C ATOM 793 CG TYR A 53 -1.480 -0.331 -6.630 1.00 1.81 C ATOM 794 CD1 TYR A 53 -1.482 -0.849 -5.322 1.00 2.97 C ATOM 795 CD2 TYR A 53 -2.550 -0.625 -7.498 1.00 2.06 C ATOM 796 CE1 TYR A 53 -2.578 -1.588 -4.859 1.00 3.04 C ATOM 797 CE2 TYR A 53 -3.653 -1.355 -7.031 1.00 2.49 C ATOM 798 CZ TYR A 53 -3.691 -1.791 -5.691 1.00 2.41 C ATOM 799 OH TYR A 53 -4.748 -2.513 -5.232 1.00 3.08 O ATOM 0 H TYR A 53 -0.068 -0.143 -9.504 1.00 1.32 H new ATOM 0 HA TYR A 53 -1.468 1.955 -8.081 1.00 1.78 H new ATOM 0 HB2 TYR A 53 0.522 -0.159 -7.303 1.00 2.16 H new ATOM 0 HB3 TYR A 53 0.019 1.102 -6.194 1.00 2.16 H new ATOM 0 HD1 TYR A 53 -0.636 -0.676 -4.673 1.00 2.97 H new ATOM 0 HD2 TYR A 53 -2.521 -0.288 -8.524 1.00 2.06 H new ATOM 0 HE1 TYR A 53 -2.567 -2.002 -3.862 1.00 3.04 H new ATOM 0 HE2 TYR A 53 -4.472 -1.583 -7.697 1.00 2.49 H new ATOM 0 HH TYR A 53 -5.388 -1.914 -4.793 1.00 3.08 H new ATOM 809 N ARG A 54 0.346 3.592 -9.099 1.00 1.27 N ATOM 810 CA ARG A 54 1.130 4.816 -9.104 1.00 1.03 C ATOM 811 C ARG A 54 0.493 5.771 -8.101 1.00 0.81 C ATOM 812 O ARG A 54 -0.633 6.223 -8.305 1.00 1.00 O ATOM 813 CB ARG A 54 1.124 5.425 -10.515 1.00 1.35 C ATOM 814 CG ARG A 54 1.831 4.553 -11.568 1.00 1.59 C ATOM 815 CD ARG A 54 3.337 4.836 -11.666 1.00 2.31 C ATOM 816 NE ARG A 54 4.032 4.593 -10.390 1.00 4.16 N ATOM 817 CZ ARG A 54 5.130 5.239 -9.971 1.00 5.51 C ATOM 818 NH1 ARG A 54 5.848 5.961 -10.840 1.00 5.13 N ATOM 819 NH2 ARG A 54 5.505 5.163 -8.691 1.00 7.58 N ATOM 0 H ARG A 54 -0.405 3.591 -9.789 1.00 1.27 H new ATOM 0 HA ARG A 54 2.166 4.621 -8.827 1.00 1.03 H new ATOM 0 HB2 ARG A 54 0.092 5.590 -10.826 1.00 1.35 H new ATOM 0 HB3 ARG A 54 1.607 6.402 -10.482 1.00 1.35 H new ATOM 0 HG2 ARG A 54 1.679 3.502 -11.323 1.00 1.59 H new ATOM 0 HG3 ARG A 54 1.371 4.723 -12.541 1.00 1.59 H new ATOM 0 HD2 ARG A 54 3.774 4.207 -12.441 1.00 2.31 H new ATOM 0 HD3 ARG A 54 3.492 5.871 -11.971 1.00 2.31 H new ATOM 0 HE ARG A 54 3.647 3.876 -9.776 1.00 4.16 H new ATOM 0 HH11 ARG A 54 5.559 6.018 -11.817 1.00 5.13 H new ATOM 0 HH12 ARG A 54 6.684 6.454 -10.526 1.00 5.13 H new ATOM 0 HH21 ARG A 54 4.956 4.613 -8.030 1.00 7.58 H new ATOM 0 HH22 ARG A 54 6.340 5.655 -8.374 1.00 7.58 H new ATOM 833 N GLY A 55 1.187 6.046 -6.995 1.00 0.68 N ATOM 834 CA GLY A 55 0.579 6.785 -5.908 1.00 0.63 C ATOM 835 C GLY A 55 1.596 7.350 -4.936 1.00 0.54 C ATOM 836 O GLY A 55 2.800 7.302 -5.194 1.00 0.61 O ATOM 0 H GLY A 55 2.156 5.769 -6.837 1.00 0.68 H new ATOM 0 HA2 GLY A 55 -0.016 7.601 -6.318 1.00 0.63 H new ATOM 0 HA3 GLY A 55 -0.106 6.131 -5.369 1.00 0.63 H new ATOM 840 N THR A 56 1.081 7.850 -3.815 1.00 0.56 N ATOM 841 CA THR A 56 1.828 8.471 -2.743 1.00 0.67 C ATOM 842 C THR A 56 1.320 7.885 -1.427 1.00 0.68 C ATOM 843 O THR A 56 0.130 7.600 -1.283 1.00 0.91 O ATOM 844 CB THR A 56 1.644 9.996 -2.802 1.00 0.90 C ATOM 845 OG1 THR A 56 1.827 10.447 -4.132 1.00 2.30 O ATOM 846 CG2 THR A 56 2.654 10.725 -1.910 1.00 2.37 C ATOM 0 H THR A 56 0.079 7.828 -3.628 1.00 0.56 H new ATOM 0 HA THR A 56 2.896 8.273 -2.834 1.00 0.67 H new ATOM 0 HB THR A 56 0.636 10.215 -2.449 1.00 0.90 H new ATOM 0 HG1 THR A 56 1.707 11.419 -4.167 1.00 2.30 H new ATOM 0 HG21 THR A 56 2.491 11.801 -1.979 1.00 2.37 H new ATOM 0 HG22 THR A 56 2.524 10.404 -0.876 1.00 2.37 H new ATOM 0 HG23 THR A 56 3.666 10.489 -2.239 1.00 2.37 H new ATOM 854 N ALA A 57 2.244 7.689 -0.488 1.00 0.66 N ATOM 855 CA ALA A 57 2.014 7.257 0.874 1.00 0.74 C ATOM 856 C ALA A 57 2.459 8.402 1.775 1.00 0.81 C ATOM 857 O ALA A 57 3.509 8.309 2.404 1.00 1.11 O ATOM 858 CB ALA A 57 2.837 5.994 1.122 1.00 0.77 C ATOM 0 H ALA A 57 3.235 7.840 -0.679 1.00 0.66 H new ATOM 0 HA ALA A 57 0.968 7.021 1.072 1.00 0.74 H new ATOM 0 HB1 ALA A 57 2.678 5.651 2.144 1.00 0.77 H new ATOM 0 HB2 ALA A 57 2.527 5.215 0.426 1.00 0.77 H new ATOM 0 HB3 ALA A 57 3.894 6.214 0.973 1.00 0.77 H new ATOM 864 N PHE A 58 1.702 9.500 1.780 1.00 0.68 N ATOM 865 CA PHE A 58 2.134 10.757 2.397 1.00 0.73 C ATOM 866 C PHE A 58 1.935 10.706 3.906 1.00 0.68 C ATOM 867 O PHE A 58 0.861 10.338 4.374 1.00 0.60 O ATOM 868 CB PHE A 58 1.469 11.983 1.762 1.00 0.83 C ATOM 869 CG PHE A 58 -0.005 12.150 2.061 1.00 0.87 C ATOM 870 CD1 PHE A 58 -0.397 12.867 3.206 1.00 2.05 C ATOM 871 CD2 PHE A 58 -0.980 11.558 1.238 1.00 2.08 C ATOM 872 CE1 PHE A 58 -1.752 12.951 3.557 1.00 2.19 C ATOM 873 CE2 PHE A 58 -2.343 11.684 1.564 1.00 2.13 C ATOM 874 CZ PHE A 58 -2.729 12.373 2.728 1.00 1.24 C ATOM 0 H PHE A 58 0.774 9.544 1.358 1.00 0.68 H new ATOM 0 HA PHE A 58 3.201 10.870 2.204 1.00 0.73 H new ATOM 0 HB2 PHE A 58 1.994 12.876 2.100 1.00 0.83 H new ATOM 0 HB3 PHE A 58 1.599 11.927 0.681 1.00 0.83 H new ATOM 0 HD1 PHE A 58 0.348 13.355 3.817 1.00 2.05 H new ATOM 0 HD2 PHE A 58 -0.683 11.008 0.357 1.00 2.08 H new ATOM 0 HE1 PHE A 58 -2.045 13.459 4.464 1.00 2.19 H new ATOM 0 HE2 PHE A 58 -3.094 11.251 0.920 1.00 2.13 H new ATOM 0 HZ PHE A 58 -3.775 12.458 2.984 1.00 1.24 H new ATOM 884 N GLY A 59 2.975 11.058 4.659 1.00 0.80 N ATOM 885 CA GLY A 59 2.947 11.088 6.110 1.00 0.78 C ATOM 886 C GLY A 59 2.334 12.387 6.625 1.00 0.81 C ATOM 887 O GLY A 59 2.085 13.312 5.858 1.00 0.89 O ATOM 0 H GLY A 59 3.875 11.334 4.266 1.00 0.80 H new ATOM 0 HA2 GLY A 59 2.373 10.240 6.483 1.00 0.78 H new ATOM 0 HA3 GLY A 59 3.960 10.982 6.498 1.00 0.78 H new ATOM 891 N SER A 60 2.165 12.498 7.945 1.00 0.96 N ATOM 892 CA SER A 60 1.693 13.733 8.561 1.00 1.14 C ATOM 893 C SER A 60 2.661 14.900 8.287 1.00 1.17 C ATOM 894 O SER A 60 2.220 16.033 8.121 1.00 1.38 O ATOM 895 CB SER A 60 1.463 13.521 10.063 1.00 1.30 C ATOM 896 OG SER A 60 0.590 14.505 10.580 1.00 1.74 O ATOM 0 H SER A 60 2.350 11.744 8.606 1.00 0.96 H new ATOM 0 HA SER A 60 0.738 14.004 8.110 1.00 1.14 H new ATOM 0 HB2 SER A 60 1.044 12.530 10.235 1.00 1.30 H new ATOM 0 HB3 SER A 60 2.416 13.560 10.591 1.00 1.30 H new ATOM 0 HG SER A 60 0.455 14.351 11.538 1.00 1.74 H new ATOM 902 N ASP A 61 3.970 14.616 8.232 1.00 1.11 N ATOM 903 CA ASP A 61 5.021 15.571 7.856 1.00 1.27 C ATOM 904 C ASP A 61 5.090 15.768 6.330 1.00 1.09 C ATOM 905 O ASP A 61 5.885 16.561 5.834 1.00 1.22 O ATOM 906 CB ASP A 61 6.367 15.030 8.394 1.00 1.60 C ATOM 907 CG ASP A 61 7.594 15.881 8.036 1.00 2.14 C ATOM 908 OD1 ASP A 61 7.619 17.041 8.492 1.00 2.15 O ATOM 909 OD2 ASP A 61 8.527 15.344 7.382 1.00 3.49 O ATOM 0 H ASP A 61 4.336 13.690 8.454 1.00 1.11 H new ATOM 0 HA ASP A 61 4.798 16.546 8.289 1.00 1.27 H new ATOM 0 HB2 ASP A 61 6.302 14.950 9.479 1.00 1.60 H new ATOM 0 HB3 ASP A 61 6.517 14.022 8.008 1.00 1.60 H new ATOM 914 N ASP A 62 4.340 14.963 5.568 1.00 0.98 N ATOM 915 CA ASP A 62 4.890 14.243 4.438 1.00 1.15 C ATOM 916 C ASP A 62 6.388 13.961 4.580 1.00 1.17 C ATOM 917 O ASP A 62 7.230 14.401 3.797 1.00 1.40 O ATOM 918 CB ASP A 62 4.455 14.776 3.071 1.00 1.54 C ATOM 919 CG ASP A 62 4.636 13.691 2.010 1.00 2.27 C ATOM 920 OD1 ASP A 62 5.165 12.614 2.372 1.00 3.30 O ATOM 921 OD2 ASP A 62 4.169 13.920 0.876 1.00 2.67 O ATOM 0 H ASP A 62 3.345 14.800 5.724 1.00 0.98 H new ATOM 0 HA ASP A 62 4.422 13.259 4.468 1.00 1.15 H new ATOM 0 HB2 ASP A 62 3.412 15.090 3.108 1.00 1.54 H new ATOM 0 HB3 ASP A 62 5.044 15.655 2.809 1.00 1.54 H new ATOM 926 N ALA A 63 6.690 13.122 5.573 1.00 1.07 N ATOM 927 CA ALA A 63 7.842 12.239 5.493 1.00 1.19 C ATOM 928 C ALA A 63 7.303 10.903 5.005 1.00 1.02 C ATOM 929 O ALA A 63 7.529 9.869 5.625 1.00 1.12 O ATOM 930 CB ALA A 63 8.463 12.076 6.883 1.00 1.42 C ATOM 0 H ALA A 63 6.152 13.040 6.436 1.00 1.07 H new ATOM 0 HA ALA A 63 8.611 12.630 4.827 1.00 1.19 H new ATOM 0 HB1 ALA A 63 9.326 11.414 6.820 1.00 1.42 H new ATOM 0 HB2 ALA A 63 8.779 13.050 7.257 1.00 1.42 H new ATOM 0 HB3 ALA A 63 7.726 11.648 7.563 1.00 1.42 H new ATOM 936 N GLY A 64 6.601 10.929 3.879 1.00 0.90 N ATOM 937 CA GLY A 64 5.925 9.789 3.323 1.00 0.79 C ATOM 938 C GLY A 64 6.586 9.426 1.999 1.00 0.73 C ATOM 939 O GLY A 64 7.569 10.043 1.590 1.00 1.06 O ATOM 0 H GLY A 64 6.490 11.774 3.319 1.00 0.90 H new ATOM 0 HA2 GLY A 64 5.974 8.947 4.013 1.00 0.79 H new ATOM 0 HA3 GLY A 64 4.870 10.014 3.169 1.00 0.79 H new ATOM 943 N GLY A 65 6.093 8.363 1.370 1.00 0.72 N ATOM 944 CA GLY A 65 6.713 7.727 0.232 1.00 0.76 C ATOM 945 C GLY A 65 5.972 7.959 -1.070 1.00 0.56 C ATOM 946 O GLY A 65 4.857 8.478 -1.094 1.00 0.77 O ATOM 0 H GLY A 65 5.223 7.913 1.654 1.00 0.72 H new ATOM 0 HA2 GLY A 65 7.733 8.097 0.131 1.00 0.76 H new ATOM 0 HA3 GLY A 65 6.779 6.655 0.417 1.00 0.76 H new ATOM 950 N LYS A 66 6.576 7.471 -2.150 1.00 0.59 N ATOM 951 CA LYS A 66 5.907 7.199 -3.409 1.00 0.68 C ATOM 952 C LYS A 66 5.535 5.720 -3.403 1.00 0.72 C ATOM 953 O LYS A 66 6.223 4.931 -2.763 1.00 0.93 O ATOM 954 CB LYS A 66 6.867 7.501 -4.560 1.00 0.93 C ATOM 955 CG LYS A 66 7.217 8.993 -4.585 1.00 1.06 C ATOM 956 CD LYS A 66 8.265 9.277 -5.675 1.00 1.58 C ATOM 957 CE LYS A 66 9.684 8.954 -5.177 1.00 2.23 C ATOM 958 NZ LYS A 66 10.703 8.990 -6.246 1.00 3.98 N ATOM 0 H LYS A 66 7.571 7.249 -2.169 1.00 0.59 H new ATOM 0 HA LYS A 66 5.017 7.815 -3.534 1.00 0.68 H new ATOM 0 HB2 LYS A 66 7.776 6.909 -4.449 1.00 0.93 H new ATOM 0 HB3 LYS A 66 6.412 7.212 -5.507 1.00 0.93 H new ATOM 0 HG2 LYS A 66 6.319 9.581 -4.772 1.00 1.06 H new ATOM 0 HG3 LYS A 66 7.602 9.300 -3.612 1.00 1.06 H new ATOM 0 HD2 LYS A 66 8.043 8.682 -6.561 1.00 1.58 H new ATOM 0 HD3 LYS A 66 8.210 10.324 -5.972 1.00 1.58 H new ATOM 0 HE2 LYS A 66 9.959 9.666 -4.399 1.00 2.23 H new ATOM 0 HE3 LYS A 66 9.684 7.965 -4.718 1.00 2.23 H new ATOM 0 HZ1 LYS A 66 11.635 8.764 -5.845 1.00 3.98 H new ATOM 0 HZ2 LYS A 66 10.463 8.292 -6.978 1.00 3.98 H new ATOM 0 HZ3 LYS A 66 10.729 9.940 -6.669 1.00 3.98 H new ATOM 972 N LEU A 67 4.471 5.344 -4.112 1.00 0.86 N ATOM 973 CA LEU A 67 4.030 3.965 -4.239 1.00 0.90 C ATOM 974 C LEU A 67 4.368 3.471 -5.643 1.00 0.94 C ATOM 975 O LEU A 67 4.079 4.155 -6.632 1.00 1.31 O ATOM 976 CB LEU A 67 2.524 3.892 -3.962 1.00 0.95 C ATOM 977 CG LEU A 67 1.977 2.457 -3.912 1.00 0.97 C ATOM 978 CD1 LEU A 67 2.537 1.669 -2.721 1.00 1.22 C ATOM 979 CD2 LEU A 67 0.451 2.540 -3.800 1.00 0.85 C ATOM 0 H LEU A 67 3.884 6.005 -4.621 1.00 0.86 H new ATOM 0 HA LEU A 67 4.537 3.325 -3.517 1.00 0.90 H new ATOM 0 HB2 LEU A 67 2.313 4.386 -3.013 1.00 0.95 H new ATOM 0 HB3 LEU A 67 1.993 4.448 -4.735 1.00 0.95 H new ATOM 0 HG LEU A 67 2.281 1.931 -4.817 1.00 0.97 H new ATOM 0 HD11 LEU A 67 2.123 0.661 -2.725 1.00 1.22 H new ATOM 0 HD12 LEU A 67 3.623 1.616 -2.798 1.00 1.22 H new ATOM 0 HD13 LEU A 67 2.263 2.170 -1.792 1.00 1.22 H new ATOM 0 HD21 LEU A 67 0.034 1.534 -3.762 1.00 0.85 H new ATOM 0 HD22 LEU A 67 0.182 3.079 -2.892 1.00 0.85 H new ATOM 0 HD23 LEU A 67 0.051 3.067 -4.666 1.00 0.85 H new ATOM 991 N THR A 68 5.015 2.308 -5.739 1.00 0.83 N ATOM 992 CA THR A 68 5.326 1.660 -7.000 1.00 0.89 C ATOM 993 C THR A 68 4.193 0.715 -7.388 1.00 0.86 C ATOM 994 O THR A 68 3.516 0.148 -6.530 1.00 1.01 O ATOM 995 CB THR A 68 6.675 0.942 -6.889 1.00 1.10 C ATOM 996 OG1 THR A 68 6.675 0.028 -5.810 1.00 2.44 O ATOM 997 CG2 THR A 68 7.769 1.991 -6.679 1.00 1.34 C ATOM 0 H THR A 68 5.340 1.787 -4.925 1.00 0.83 H new ATOM 0 HA THR A 68 5.414 2.402 -7.794 1.00 0.89 H new ATOM 0 HB THR A 68 6.858 0.380 -7.805 1.00 1.10 H new ATOM 0 HG1 THR A 68 7.387 -0.632 -5.941 1.00 2.44 H new ATOM 0 HG21 THR A 68 8.737 1.496 -6.598 1.00 1.34 H new ATOM 0 HG22 THR A 68 7.782 2.677 -7.526 1.00 1.34 H new ATOM 0 HG23 THR A 68 7.568 2.548 -5.764 1.00 1.34 H new ATOM 1005 N TYR A 69 3.992 0.552 -8.696 1.00 0.89 N ATOM 1006 CA TYR A 69 2.888 -0.226 -9.215 1.00 0.97 C ATOM 1007 C TYR A 69 3.235 -1.713 -9.127 1.00 0.86 C ATOM 1008 O TYR A 69 4.089 -2.205 -9.864 1.00 0.89 O ATOM 1009 CB TYR A 69 2.469 0.292 -10.592 1.00 1.04 C ATOM 1010 CG TYR A 69 3.494 0.196 -11.707 1.00 1.03 C ATOM 1011 CD1 TYR A 69 4.508 1.163 -11.835 1.00 2.05 C ATOM 1012 CD2 TYR A 69 3.391 -0.836 -12.657 1.00 2.13 C ATOM 1013 CE1 TYR A 69 5.459 1.056 -12.865 1.00 2.11 C ATOM 1014 CE2 TYR A 69 4.339 -0.941 -13.688 1.00 2.20 C ATOM 1015 CZ TYR A 69 5.380 -0.004 -13.785 1.00 1.30 C ATOM 1016 OH TYR A 69 6.300 -0.121 -14.783 1.00 1.58 O ATOM 0 H TYR A 69 4.592 0.957 -9.415 1.00 0.89 H new ATOM 0 HA TYR A 69 1.990 -0.106 -8.608 1.00 0.97 H new ATOM 0 HB2 TYR A 69 1.579 -0.255 -10.903 1.00 1.04 H new ATOM 0 HB3 TYR A 69 2.180 1.338 -10.487 1.00 1.04 H new ATOM 0 HD1 TYR A 69 4.556 1.989 -11.141 1.00 2.05 H new ATOM 0 HD2 TYR A 69 2.582 -1.549 -12.594 1.00 2.13 H new ATOM 0 HE1 TYR A 69 6.249 1.787 -12.949 1.00 2.11 H new ATOM 0 HE2 TYR A 69 4.267 -1.744 -14.407 1.00 2.20 H new ATOM 0 HH TYR A 69 6.095 -0.911 -15.326 1.00 1.58 H new ATOM 1026 N THR A 70 2.686 -2.403 -8.122 1.00 0.76 N ATOM 1027 CA THR A 70 3.188 -3.706 -7.700 1.00 0.60 C ATOM 1028 C THR A 70 2.077 -4.519 -7.017 1.00 0.61 C ATOM 1029 O THR A 70 2.020 -4.620 -5.788 1.00 0.65 O ATOM 1030 CB THR A 70 4.422 -3.496 -6.796 1.00 0.82 C ATOM 1031 OG1 THR A 70 5.314 -2.539 -7.351 1.00 1.19 O ATOM 1032 CG2 THR A 70 5.186 -4.809 -6.602 1.00 1.08 C ATOM 0 H THR A 70 1.885 -2.072 -7.583 1.00 0.76 H new ATOM 0 HA THR A 70 3.501 -4.290 -8.565 1.00 0.60 H new ATOM 0 HB THR A 70 4.052 -3.135 -5.836 1.00 0.82 H new ATOM 0 HG1 THR A 70 5.572 -1.893 -6.660 1.00 1.19 H new ATOM 0 HG21 THR A 70 6.051 -4.636 -5.962 1.00 1.08 H new ATOM 0 HG22 THR A 70 4.531 -5.545 -6.136 1.00 1.08 H new ATOM 0 HG23 THR A 70 5.520 -5.182 -7.570 1.00 1.08 H new ATOM 1040 N ILE A 71 1.174 -5.090 -7.826 1.00 0.64 N ATOM 1041 CA ILE A 71 0.125 -6.004 -7.380 1.00 0.65 C ATOM 1042 C ILE A 71 -0.091 -7.034 -8.484 1.00 0.68 C ATOM 1043 O ILE A 71 -0.458 -6.667 -9.599 1.00 0.94 O ATOM 1044 CB ILE A 71 -1.191 -5.265 -7.009 1.00 0.72 C ATOM 1045 CG1 ILE A 71 -2.429 -5.673 -7.833 1.00 0.84 C ATOM 1046 CG2 ILE A 71 -0.991 -3.745 -7.064 1.00 1.09 C ATOM 1047 CD1 ILE A 71 -3.742 -5.070 -7.326 1.00 1.42 C ATOM 0 H ILE A 71 1.156 -4.922 -8.832 1.00 0.64 H new ATOM 0 HA ILE A 71 0.439 -6.499 -6.461 1.00 0.65 H new ATOM 0 HB ILE A 71 -1.411 -5.581 -5.989 1.00 0.72 H new ATOM 0 HG12 ILE A 71 -2.279 -5.370 -8.869 1.00 0.84 H new ATOM 0 HG13 ILE A 71 -2.514 -6.760 -7.827 1.00 0.84 H new ATOM 0 HG21 ILE A 71 -1.924 -3.246 -6.801 1.00 1.09 H new ATOM 0 HG22 ILE A 71 -0.212 -3.455 -6.358 1.00 1.09 H new ATOM 0 HG23 ILE A 71 -0.695 -3.453 -8.072 1.00 1.09 H new ATOM 0 HD11 ILE A 71 -4.564 -5.405 -7.958 1.00 1.42 H new ATOM 0 HD12 ILE A 71 -3.918 -5.393 -6.300 1.00 1.42 H new ATOM 0 HD13 ILE A 71 -3.679 -3.982 -7.358 1.00 1.42 H new ATOM 1059 N ASP A 72 0.099 -8.312 -8.171 1.00 0.64 N ATOM 1060 CA ASP A 72 -0.278 -9.401 -9.049 1.00 0.63 C ATOM 1061 C ASP A 72 -1.758 -9.683 -8.843 1.00 0.64 C ATOM 1062 O ASP A 72 -2.141 -10.238 -7.811 1.00 0.84 O ATOM 1063 CB ASP A 72 0.594 -10.623 -8.763 1.00 0.76 C ATOM 1064 CG ASP A 72 2.063 -10.289 -8.951 1.00 2.30 C ATOM 1065 OD1 ASP A 72 2.584 -10.543 -10.058 1.00 3.29 O ATOM 1066 OD2 ASP A 72 2.639 -9.694 -8.017 1.00 3.37 O ATOM 0 H ASP A 72 0.522 -8.617 -7.294 1.00 0.64 H new ATOM 0 HA ASP A 72 -0.118 -9.138 -10.095 1.00 0.63 H new ATOM 0 HB2 ASP A 72 0.422 -10.968 -7.744 1.00 0.76 H new ATOM 0 HB3 ASP A 72 0.314 -11.440 -9.428 1.00 0.76 H new ATOM 1071 N PHE A 73 -2.590 -9.297 -9.818 1.00 0.69 N ATOM 1072 CA PHE A 73 -4.027 -9.542 -9.820 1.00 0.72 C ATOM 1073 C PHE A 73 -4.360 -11.025 -9.691 1.00 0.96 C ATOM 1074 O PHE A 73 -5.501 -11.339 -9.363 1.00 1.23 O ATOM 1075 CB PHE A 73 -4.738 -8.996 -11.061 1.00 0.75 C ATOM 1076 CG PHE A 73 -4.495 -7.545 -11.434 1.00 0.86 C ATOM 1077 CD1 PHE A 73 -3.431 -7.226 -12.297 1.00 2.10 C ATOM 1078 CD2 PHE A 73 -5.477 -6.570 -11.171 1.00 1.73 C ATOM 1079 CE1 PHE A 73 -3.421 -6.008 -12.993 1.00 2.37 C ATOM 1080 CE2 PHE A 73 -5.454 -5.340 -11.848 1.00 1.76 C ATOM 1081 CZ PHE A 73 -4.456 -5.080 -12.801 1.00 1.44 C ATOM 0 H PHE A 73 -2.269 -8.794 -10.645 1.00 0.69 H new ATOM 0 HA PHE A 73 -4.392 -9.002 -8.946 1.00 0.72 H new ATOM 0 HB2 PHE A 73 -4.449 -9.613 -11.912 1.00 0.75 H new ATOM 0 HB3 PHE A 73 -5.810 -9.130 -10.919 1.00 0.75 H new ATOM 0 HD1 PHE A 73 -2.616 -7.923 -12.425 1.00 2.10 H new ATOM 0 HD2 PHE A 73 -6.251 -6.769 -10.445 1.00 1.73 H new ATOM 0 HE1 PHE A 73 -2.616 -5.784 -13.677 1.00 2.37 H new ATOM 0 HE2 PHE A 73 -6.205 -4.593 -11.636 1.00 1.76 H new ATOM 0 HZ PHE A 73 -4.485 -4.171 -13.383 1.00 1.44 H new ATOM 1091 N ALA A 74 -3.396 -11.923 -9.913 1.00 1.09 N ATOM 1092 CA ALA A 74 -3.477 -13.309 -9.468 1.00 1.37 C ATOM 1093 C ALA A 74 -4.186 -13.409 -8.110 1.00 1.24 C ATOM 1094 O ALA A 74 -5.066 -14.247 -7.936 1.00 1.43 O ATOM 1095 CB ALA A 74 -2.067 -13.900 -9.399 1.00 1.64 C ATOM 0 H ALA A 74 -2.533 -11.703 -10.410 1.00 1.09 H new ATOM 0 HA ALA A 74 -4.067 -13.881 -10.184 1.00 1.37 H new ATOM 0 HB1 ALA A 74 -2.123 -14.937 -9.067 1.00 1.64 H new ATOM 0 HB2 ALA A 74 -1.607 -13.860 -10.386 1.00 1.64 H new ATOM 0 HB3 ALA A 74 -1.466 -13.325 -8.695 1.00 1.64 H new ATOM 1101 N ALA A 75 -3.850 -12.508 -7.175 1.00 1.01 N ATOM 1102 CA ALA A 75 -4.616 -12.352 -5.932 1.00 1.02 C ATOM 1103 C ALA A 75 -4.547 -10.955 -5.297 1.00 0.96 C ATOM 1104 O ALA A 75 -4.886 -10.800 -4.131 1.00 1.08 O ATOM 1105 CB ALA A 75 -4.175 -13.431 -4.942 1.00 1.05 C ATOM 0 H ALA A 75 -3.053 -11.877 -7.257 1.00 1.01 H new ATOM 0 HA ALA A 75 -5.667 -12.472 -6.195 1.00 1.02 H new ATOM 0 HB1 ALA A 75 -4.737 -13.325 -4.014 1.00 1.05 H new ATOM 0 HB2 ALA A 75 -4.363 -14.416 -5.370 1.00 1.05 H new ATOM 0 HB3 ALA A 75 -3.110 -13.322 -4.735 1.00 1.05 H new ATOM 1111 N LYS A 76 -4.095 -9.951 -6.047 1.00 0.96 N ATOM 1112 CA LYS A 76 -3.973 -8.555 -5.692 1.00 0.94 C ATOM 1113 C LYS A 76 -3.155 -8.247 -4.430 1.00 0.99 C ATOM 1114 O LYS A 76 -3.703 -7.858 -3.405 1.00 1.14 O ATOM 1115 CB LYS A 76 -5.338 -7.874 -5.662 1.00 1.07 C ATOM 1116 CG LYS A 76 -6.102 -7.823 -6.993 1.00 2.04 C ATOM 1117 CD LYS A 76 -6.817 -9.136 -7.353 1.00 3.67 C ATOM 1118 CE LYS A 76 -7.655 -8.971 -8.635 1.00 4.93 C ATOM 1119 NZ LYS A 76 -7.928 -10.254 -9.318 1.00 6.53 N ATOM 0 H LYS A 76 -3.779 -10.119 -7.002 1.00 0.96 H new ATOM 0 HA LYS A 76 -3.373 -8.126 -6.494 1.00 0.94 H new ATOM 0 HB2 LYS A 76 -5.961 -8.388 -4.930 1.00 1.07 H new ATOM 0 HB3 LYS A 76 -5.203 -6.853 -5.306 1.00 1.07 H new ATOM 0 HG2 LYS A 76 -6.838 -7.021 -6.947 1.00 2.04 H new ATOM 0 HG3 LYS A 76 -5.404 -7.570 -7.791 1.00 2.04 H new ATOM 0 HD2 LYS A 76 -6.082 -9.928 -7.494 1.00 3.67 H new ATOM 0 HD3 LYS A 76 -7.462 -9.442 -6.529 1.00 3.67 H new ATOM 0 HE2 LYS A 76 -8.601 -8.491 -8.384 1.00 4.93 H new ATOM 0 HE3 LYS A 76 -7.132 -8.305 -9.321 1.00 4.93 H new ATOM 0 HZ1 LYS A 76 -8.183 -10.072 -10.310 1.00 6.53 H new ATOM 0 HZ2 LYS A 76 -7.079 -10.853 -9.283 1.00 6.53 H new ATOM 0 HZ3 LYS A 76 -8.714 -10.740 -8.842 1.00 6.53 H new ATOM 1133 N GLN A 77 -1.826 -8.335 -4.529 1.00 0.98 N ATOM 1134 CA GLN A 77 -0.986 -8.259 -3.333 1.00 0.89 C ATOM 1135 C GLN A 77 -0.937 -6.832 -2.766 1.00 1.09 C ATOM 1136 O GLN A 77 -1.259 -6.597 -1.603 1.00 2.72 O ATOM 1137 CB GLN A 77 0.420 -8.836 -3.565 1.00 1.29 C ATOM 1138 CG GLN A 77 0.516 -10.132 -4.380 1.00 1.16 C ATOM 1139 CD GLN A 77 -0.592 -11.124 -4.073 1.00 1.08 C ATOM 1140 OE1 GLN A 77 -1.621 -11.166 -4.912 1.00 1.84 O flip ATOM 1141 NE2 GLN A 77 -0.532 -11.854 -3.092 1.00 0.99 N flip ATOM 0 H GLN A 77 -1.318 -8.456 -5.405 1.00 0.98 H new ATOM 0 HA GLN A 77 -1.455 -8.891 -2.579 1.00 0.89 H new ATOM 0 HB2 GLN A 77 1.020 -8.076 -4.066 1.00 1.29 H new ATOM 0 HB3 GLN A 77 0.878 -9.013 -2.592 1.00 1.29 H new ATOM 0 HG2 GLN A 77 0.490 -9.887 -5.442 1.00 1.16 H new ATOM 0 HG3 GLN A 77 1.479 -10.604 -4.186 1.00 1.16 H new ATOM 0 HE21 GLN A 77 0.270 -11.800 -2.465 1.00 0.99 H new ATOM 0 HE22 GLN A 77 -1.284 -12.516 -2.902 1.00 0.99 H new ATOM 1150 N GLY A 78 -0.560 -5.869 -3.612 1.00 1.32 N ATOM 1151 CA GLY A 78 -0.740 -4.446 -3.357 1.00 1.26 C ATOM 1152 C GLY A 78 0.374 -3.857 -2.502 1.00 1.07 C ATOM 1153 O GLY A 78 0.097 -3.289 -1.447 1.00 1.29 O ATOM 0 H GLY A 78 -0.114 -6.065 -4.508 1.00 1.32 H new ATOM 0 HA2 GLY A 78 -0.784 -3.913 -4.307 1.00 1.26 H new ATOM 0 HA3 GLY A 78 -1.697 -4.288 -2.859 1.00 1.26 H new ATOM 1157 N ASN A 79 1.633 -3.990 -2.940 1.00 0.91 N ATOM 1158 CA ASN A 79 2.775 -3.785 -2.060 1.00 0.99 C ATOM 1159 C ASN A 79 3.911 -3.174 -2.868 1.00 1.27 C ATOM 1160 O ASN A 79 4.725 -3.883 -3.454 1.00 2.04 O ATOM 1161 CB ASN A 79 3.213 -5.111 -1.422 1.00 1.01 C ATOM 1162 CG ASN A 79 2.052 -6.027 -1.040 1.00 1.65 C ATOM 1163 OD1 ASN A 79 1.878 -7.077 -1.648 1.00 3.08 O ATOM 1164 ND2 ASN A 79 1.247 -5.667 -0.049 1.00 1.12 N ATOM 0 H ASN A 79 1.879 -4.238 -3.898 1.00 0.91 H new ATOM 0 HA ASN A 79 2.497 -3.108 -1.252 1.00 0.99 H new ATOM 0 HB2 ASN A 79 3.866 -5.639 -2.117 1.00 1.01 H new ATOM 0 HB3 ASN A 79 3.803 -4.897 -0.531 1.00 1.01 H new ATOM 0 HD21 ASN A 79 0.467 -6.268 0.219 1.00 1.12 H new ATOM 0 HD22 ASN A 79 1.408 -4.789 0.445 1.00 1.12 H new ATOM 1171 N GLY A 80 3.953 -1.846 -2.930 1.00 1.00 N ATOM 1172 CA GLY A 80 5.055 -1.141 -3.552 1.00 1.13 C ATOM 1173 C GLY A 80 6.163 -0.882 -2.538 1.00 1.34 C ATOM 1174 O GLY A 80 6.008 -1.158 -1.350 1.00 1.97 O ATOM 0 H GLY A 80 3.227 -1.238 -2.552 1.00 1.00 H new ATOM 0 HA2 GLY A 80 5.445 -1.726 -4.385 1.00 1.13 H new ATOM 0 HA3 GLY A 80 4.703 -0.195 -3.964 1.00 1.13 H new ATOM 1178 N LYS A 81 7.274 -0.323 -3.011 1.00 1.10 N ATOM 1179 CA LYS A 81 8.315 0.221 -2.137 1.00 1.12 C ATOM 1180 C LYS A 81 8.287 1.750 -2.090 1.00 1.03 C ATOM 1181 O LYS A 81 7.870 2.393 -3.052 1.00 0.96 O ATOM 1182 CB LYS A 81 9.706 -0.339 -2.450 1.00 1.26 C ATOM 1183 CG LYS A 81 10.276 -0.037 -3.838 1.00 1.85 C ATOM 1184 CD LYS A 81 11.793 0.244 -3.825 1.00 2.88 C ATOM 1185 CE LYS A 81 12.710 -0.861 -3.264 1.00 3.13 C ATOM 1186 NZ LYS A 81 12.818 -0.848 -1.789 1.00 3.90 N ATOM 0 H LYS A 81 7.479 -0.234 -4.006 1.00 1.10 H new ATOM 0 HA LYS A 81 8.081 -0.122 -1.129 1.00 1.12 H new ATOM 0 HB2 LYS A 81 10.403 0.047 -1.706 1.00 1.26 H new ATOM 0 HB3 LYS A 81 9.672 -1.421 -2.325 1.00 1.26 H new ATOM 0 HG2 LYS A 81 10.075 -0.881 -4.498 1.00 1.85 H new ATOM 0 HG3 LYS A 81 9.757 0.825 -4.257 1.00 1.85 H new ATOM 0 HD2 LYS A 81 12.106 0.456 -4.847 1.00 2.88 H new ATOM 0 HD3 LYS A 81 11.963 1.151 -3.245 1.00 2.88 H new ATOM 0 HE2 LYS A 81 12.332 -1.832 -3.584 1.00 3.13 H new ATOM 0 HE3 LYS A 81 13.705 -0.749 -3.694 1.00 3.13 H new ATOM 0 HZ1 LYS A 81 13.627 -1.432 -1.495 1.00 3.90 H new ATOM 0 HZ2 LYS A 81 12.958 0.128 -1.460 1.00 3.90 H new ATOM 0 HZ3 LYS A 81 11.945 -1.231 -1.374 1.00 3.90 H new ATOM 1200 N ILE A 82 8.731 2.303 -0.959 1.00 1.20 N ATOM 1201 CA ILE A 82 8.719 3.717 -0.598 1.00 1.12 C ATOM 1202 C ILE A 82 10.169 4.186 -0.479 1.00 1.07 C ATOM 1203 O ILE A 82 10.852 3.832 0.477 1.00 1.34 O ATOM 1204 CB ILE A 82 7.953 3.865 0.734 1.00 1.19 C ATOM 1205 CG1 ILE A 82 6.440 3.777 0.455 1.00 1.58 C ATOM 1206 CG2 ILE A 82 8.387 5.124 1.512 1.00 1.71 C ATOM 1207 CD1 ILE A 82 5.590 3.691 1.727 1.00 1.91 C ATOM 0 H ILE A 82 9.137 1.730 -0.220 1.00 1.20 H new ATOM 0 HA ILE A 82 8.220 4.330 -1.349 1.00 1.12 H new ATOM 0 HB ILE A 82 8.206 3.043 1.403 1.00 1.19 H new ATOM 0 HG12 ILE A 82 6.133 4.651 -0.120 1.00 1.58 H new ATOM 0 HG13 ILE A 82 6.243 2.902 -0.165 1.00 1.58 H new ATOM 0 HG21 ILE A 82 7.823 5.189 2.443 1.00 1.71 H new ATOM 0 HG22 ILE A 82 9.452 5.064 1.737 1.00 1.71 H new ATOM 0 HG23 ILE A 82 8.193 6.010 0.908 1.00 1.71 H new ATOM 0 HD11 ILE A 82 4.536 3.632 1.457 1.00 1.91 H new ATOM 0 HD12 ILE A 82 5.870 2.802 2.292 1.00 1.91 H new ATOM 0 HD13 ILE A 82 5.759 4.578 2.338 1.00 1.91 H new ATOM 1219 N GLU A 83 10.663 4.962 -1.448 1.00 1.11 N ATOM 1220 CA GLU A 83 12.097 5.153 -1.577 1.00 1.11 C ATOM 1221 C GLU A 83 12.455 6.490 -2.225 1.00 1.40 C ATOM 1222 O GLU A 83 12.677 6.585 -3.432 1.00 2.08 O ATOM 1223 CB GLU A 83 12.655 3.934 -2.316 1.00 1.13 C ATOM 1224 CG GLU A 83 14.104 3.669 -1.930 1.00 1.06 C ATOM 1225 CD GLU A 83 14.445 2.229 -2.285 1.00 1.44 C ATOM 1226 OE1 GLU A 83 14.866 2.001 -3.436 1.00 2.07 O ATOM 1227 OE2 GLU A 83 14.156 1.353 -1.439 1.00 2.38 O ATOM 0 H GLU A 83 10.098 5.456 -2.139 1.00 1.11 H new ATOM 0 HA GLU A 83 12.564 5.217 -0.594 1.00 1.11 H new ATOM 0 HB2 GLU A 83 12.049 3.058 -2.086 1.00 1.13 H new ATOM 0 HB3 GLU A 83 12.587 4.095 -3.392 1.00 1.13 H new ATOM 0 HG2 GLU A 83 14.767 4.356 -2.456 1.00 1.06 H new ATOM 0 HG3 GLU A 83 14.249 3.840 -0.863 1.00 1.06 H new ATOM 1234 N HIS A 84 12.453 7.546 -1.409 1.00 1.07 N ATOM 1235 CA HIS A 84 13.076 8.831 -1.711 1.00 1.11 C ATOM 1236 C HIS A 84 13.356 9.626 -0.432 1.00 0.96 C ATOM 1237 O HIS A 84 13.359 10.856 -0.464 1.00 1.36 O ATOM 1238 CB HIS A 84 12.169 9.630 -2.651 1.00 1.48 C ATOM 1239 CG HIS A 84 10.837 9.998 -2.040 1.00 1.66 C ATOM 1240 ND1 HIS A 84 10.401 11.274 -1.761 1.00 3.21 N ATOM 1241 CD2 HIS A 84 9.821 9.136 -1.720 1.00 2.01 C ATOM 1242 CE1 HIS A 84 9.138 11.181 -1.308 1.00 4.12 C ATOM 1243 NE2 HIS A 84 8.737 9.901 -1.296 1.00 3.47 N ATOM 0 H HIS A 84 12.004 7.527 -0.493 1.00 1.07 H new ATOM 0 HA HIS A 84 14.032 8.647 -2.200 1.00 1.11 H new ATOM 0 HB2 HIS A 84 12.685 10.542 -2.952 1.00 1.48 H new ATOM 0 HB3 HIS A 84 11.995 9.048 -3.556 1.00 1.48 H new ATOM 0 HD1 HIS A 84 10.938 12.133 -1.877 1.00 3.21 H new ATOM 0 HD2 HIS A 84 9.855 8.058 -1.785 1.00 2.01 H new ATOM 0 HE1 HIS A 84 8.532 12.019 -0.998 1.00 4.12 H new ATOM 1251 N LEU A 85 13.469 8.951 0.713 1.00 0.73 N ATOM 1252 CA LEU A 85 13.248 9.606 1.992 1.00 0.79 C ATOM 1253 C LEU A 85 14.542 10.157 2.566 1.00 1.10 C ATOM 1254 O LEU A 85 15.625 9.628 2.314 1.00 1.35 O ATOM 1255 CB LEU A 85 12.561 8.669 2.988 1.00 0.80 C ATOM 1256 CG LEU A 85 11.030 8.683 2.896 1.00 0.89 C ATOM 1257 CD1 LEU A 85 10.429 10.002 3.396 1.00 2.51 C ATOM 1258 CD2 LEU A 85 10.522 8.341 1.499 1.00 2.73 C ATOM 0 H LEU A 85 13.710 7.962 0.776 1.00 0.73 H new ATOM 0 HA LEU A 85 12.580 10.449 1.813 1.00 0.79 H new ATOM 0 HB2 LEU A 85 12.916 7.652 2.821 1.00 0.80 H new ATOM 0 HB3 LEU A 85 12.858 8.948 3.999 1.00 0.80 H new ATOM 0 HG LEU A 85 10.686 7.893 3.564 1.00 0.89 H new ATOM 0 HD11 LEU A 85 9.343 9.963 3.311 1.00 2.51 H new ATOM 0 HD12 LEU A 85 10.706 10.156 4.439 1.00 2.51 H new ATOM 0 HD13 LEU A 85 10.811 10.827 2.794 1.00 2.51 H new ATOM 0 HD21 LEU A 85 9.432 8.366 1.492 1.00 2.73 H new ATOM 0 HD22 LEU A 85 10.906 9.068 0.784 1.00 2.73 H new ATOM 0 HD23 LEU A 85 10.864 7.344 1.221 1.00 2.73 H new ATOM 1270 N LYS A 86 14.382 11.223 3.358 1.00 1.40 N ATOM 1271 CA LYS A 86 15.468 12.062 3.838 1.00 1.79 C ATOM 1272 C LYS A 86 16.490 11.277 4.667 1.00 1.61 C ATOM 1273 O LYS A 86 17.664 11.636 4.689 1.00 1.86 O ATOM 1274 CB LYS A 86 14.934 13.321 4.553 1.00 2.23 C ATOM 1275 CG LYS A 86 14.114 13.072 5.833 1.00 2.18 C ATOM 1276 CD LYS A 86 12.585 13.175 5.661 1.00 2.96 C ATOM 1277 CE LYS A 86 12.046 14.621 5.841 1.00 3.63 C ATOM 1278 NZ LYS A 86 10.560 14.748 5.923 1.00 4.96 N ATOM 0 H LYS A 86 13.466 11.528 3.687 1.00 1.40 H new ATOM 0 HA LYS A 86 16.019 12.416 2.966 1.00 1.79 H new ATOM 0 HB2 LYS A 86 15.781 13.958 4.806 1.00 2.23 H new ATOM 0 HB3 LYS A 86 14.314 13.879 3.851 1.00 2.23 H new ATOM 0 HG2 LYS A 86 14.355 12.079 6.213 1.00 2.18 H new ATOM 0 HG3 LYS A 86 14.428 13.789 6.592 1.00 2.18 H new ATOM 0 HD2 LYS A 86 12.312 12.813 4.670 1.00 2.96 H new ATOM 0 HD3 LYS A 86 12.099 12.520 6.385 1.00 2.96 H new ATOM 0 HE2 LYS A 86 12.480 15.041 6.748 1.00 3.63 H new ATOM 0 HE3 LYS A 86 12.400 15.228 5.008 1.00 3.63 H new ATOM 0 HZ1 LYS A 86 10.232 15.445 5.225 1.00 4.96 H new ATOM 0 HZ2 LYS A 86 10.121 13.826 5.724 1.00 4.96 H new ATOM 0 HZ3 LYS A 86 10.290 15.061 6.877 1.00 4.96 H new ATOM 1292 N SER A 87 16.041 10.223 5.357 1.00 1.29 N ATOM 1293 CA SER A 87 16.880 9.379 6.203 1.00 1.23 C ATOM 1294 C SER A 87 16.717 7.905 5.797 1.00 1.15 C ATOM 1295 O SER A 87 15.652 7.524 5.308 1.00 0.98 O ATOM 1296 CB SER A 87 16.492 9.628 7.668 1.00 1.39 C ATOM 1297 OG SER A 87 16.246 11.010 7.870 1.00 1.71 O ATOM 0 H SER A 87 15.064 9.930 5.340 1.00 1.29 H new ATOM 0 HA SER A 87 17.934 9.626 6.078 1.00 1.23 H new ATOM 0 HB2 SER A 87 15.604 9.050 7.922 1.00 1.39 H new ATOM 0 HB3 SER A 87 17.291 9.291 8.328 1.00 1.39 H new ATOM 0 HG SER A 87 15.997 11.165 8.805 1.00 1.71 H new ATOM 1303 N PRO A 88 17.748 7.062 5.952 1.00 1.38 N ATOM 1304 CA PRO A 88 17.648 5.642 5.653 1.00 1.49 C ATOM 1305 C PRO A 88 16.520 4.981 6.451 1.00 1.53 C ATOM 1306 O PRO A 88 15.709 4.262 5.867 1.00 1.64 O ATOM 1307 CB PRO A 88 19.027 5.038 5.939 1.00 1.83 C ATOM 1308 CG PRO A 88 19.717 6.074 6.826 1.00 1.90 C ATOM 1309 CD PRO A 88 19.081 7.399 6.417 1.00 1.63 C ATOM 0 HA PRO A 88 17.383 5.470 4.610 1.00 1.49 H new ATOM 0 HB2 PRO A 88 18.943 4.075 6.444 1.00 1.83 H new ATOM 0 HB3 PRO A 88 19.585 4.868 5.018 1.00 1.83 H new ATOM 0 HG2 PRO A 88 19.555 5.864 7.883 1.00 1.90 H new ATOM 0 HG3 PRO A 88 20.795 6.083 6.664 1.00 1.90 H new ATOM 0 HD2 PRO A 88 19.040 8.091 7.258 1.00 1.63 H new ATOM 0 HD3 PRO A 88 19.659 7.886 5.632 1.00 1.63 H new ATOM 1317 N GLU A 89 16.425 5.261 7.757 1.00 1.69 N ATOM 1318 CA GLU A 89 15.385 4.763 8.654 1.00 1.86 C ATOM 1319 C GLU A 89 14.050 5.495 8.426 1.00 2.04 C ATOM 1320 O GLU A 89 13.447 6.028 9.354 1.00 3.38 O ATOM 1321 CB GLU A 89 15.871 4.814 10.118 1.00 1.88 C ATOM 1322 CG GLU A 89 16.254 6.199 10.668 1.00 2.79 C ATOM 1323 CD GLU A 89 17.651 6.633 10.263 1.00 2.48 C ATOM 1324 OE1 GLU A 89 18.583 6.421 11.064 1.00 3.06 O ATOM 1325 OE2 GLU A 89 17.756 7.146 9.129 1.00 3.09 O ATOM 0 H GLU A 89 17.098 5.863 8.232 1.00 1.69 H new ATOM 0 HA GLU A 89 15.188 3.716 8.424 1.00 1.86 H new ATOM 0 HB2 GLU A 89 15.087 4.400 10.752 1.00 1.88 H new ATOM 0 HB3 GLU A 89 16.737 4.158 10.213 1.00 1.88 H new ATOM 0 HG2 GLU A 89 15.534 6.936 10.314 1.00 2.79 H new ATOM 0 HG3 GLU A 89 16.185 6.183 11.756 1.00 2.79 H new ATOM 1332 N LEU A 90 13.604 5.490 7.171 1.00 1.17 N ATOM 1333 CA LEU A 90 12.396 6.095 6.614 1.00 1.06 C ATOM 1334 C LEU A 90 12.142 5.569 5.195 1.00 0.88 C ATOM 1335 O LEU A 90 10.988 5.424 4.804 1.00 0.95 O ATOM 1336 CB LEU A 90 12.484 7.631 6.564 1.00 1.05 C ATOM 1337 CG LEU A 90 11.853 8.361 7.751 1.00 1.32 C ATOM 1338 CD1 LEU A 90 12.219 9.845 7.677 1.00 2.26 C ATOM 1339 CD2 LEU A 90 10.322 8.231 7.746 1.00 3.15 C ATOM 0 H LEU A 90 14.136 5.012 6.444 1.00 1.17 H new ATOM 0 HA LEU A 90 11.573 5.819 7.274 1.00 1.06 H new ATOM 0 HB2 LEU A 90 13.534 7.916 6.500 1.00 1.05 H new ATOM 0 HB3 LEU A 90 12.003 7.976 5.649 1.00 1.05 H new ATOM 0 HG LEU A 90 12.235 7.910 8.667 1.00 1.32 H new ATOM 0 HD11 LEU A 90 11.773 10.372 8.520 1.00 2.26 H new ATOM 0 HD12 LEU A 90 13.303 9.955 7.713 1.00 2.26 H new ATOM 0 HD13 LEU A 90 11.843 10.267 6.745 1.00 2.26 H new ATOM 0 HD21 LEU A 90 9.909 8.762 8.604 1.00 3.15 H new ATOM 0 HD22 LEU A 90 9.923 8.661 6.827 1.00 3.15 H new ATOM 0 HD23 LEU A 90 10.046 7.178 7.804 1.00 3.15 H new ATOM 1351 N ASN A 91 13.186 5.297 4.397 1.00 0.93 N ATOM 1352 CA ASN A 91 13.019 4.573 3.148 1.00 0.90 C ATOM 1353 C ASN A 91 12.491 3.182 3.508 1.00 0.91 C ATOM 1354 O ASN A 91 13.102 2.482 4.316 1.00 1.39 O ATOM 1355 CB ASN A 91 14.354 4.534 2.393 1.00 1.22 C ATOM 1356 CG ASN A 91 14.733 5.921 1.866 1.00 1.34 C ATOM 1357 OD1 ASN A 91 14.406 6.272 0.735 1.00 1.98 O ATOM 1358 ND2 ASN A 91 15.368 6.763 2.680 1.00 1.36 N ATOM 0 H ASN A 91 14.147 5.570 4.602 1.00 0.93 H new ATOM 0 HA ASN A 91 12.308 5.057 2.479 1.00 0.90 H new ATOM 0 HB2 ASN A 91 15.138 4.167 3.055 1.00 1.22 H new ATOM 0 HB3 ASN A 91 14.284 3.833 1.561 1.00 1.22 H new ATOM 0 HD21 ASN A 91 15.587 7.708 2.366 1.00 1.36 H new ATOM 0 HD22 ASN A 91 15.635 6.462 3.617 1.00 1.36 H new ATOM 1365 N VAL A 92 11.315 2.831 2.986 1.00 1.02 N ATOM 1366 CA VAL A 92 10.498 1.714 3.431 1.00 1.07 C ATOM 1367 C VAL A 92 10.269 0.724 2.294 1.00 1.12 C ATOM 1368 O VAL A 92 10.087 1.114 1.142 1.00 1.43 O ATOM 1369 CB VAL A 92 9.168 2.241 4.025 1.00 1.05 C ATOM 1370 CG1 VAL A 92 8.000 1.246 3.950 1.00 1.29 C ATOM 1371 CG2 VAL A 92 9.331 2.627 5.496 1.00 1.18 C ATOM 0 H VAL A 92 10.893 3.342 2.210 1.00 1.02 H new ATOM 0 HA VAL A 92 11.024 1.173 4.218 1.00 1.07 H new ATOM 0 HB VAL A 92 8.928 3.104 3.404 1.00 1.05 H new ATOM 0 HG11 VAL A 92 7.109 1.697 4.388 1.00 1.29 H new ATOM 0 HG12 VAL A 92 7.804 0.993 2.908 1.00 1.29 H new ATOM 0 HG13 VAL A 92 8.257 0.341 4.501 1.00 1.29 H new ATOM 0 HG21 VAL A 92 8.380 2.993 5.884 1.00 1.18 H new ATOM 0 HG22 VAL A 92 9.645 1.754 6.069 1.00 1.18 H new ATOM 0 HG23 VAL A 92 10.085 3.409 5.585 1.00 1.18 H new ATOM 1381 N ASP A 93 10.194 -0.559 2.640 1.00 0.88 N ATOM 1382 CA ASP A 93 9.604 -1.584 1.797 1.00 0.82 C ATOM 1383 C ASP A 93 8.329 -2.048 2.492 1.00 0.80 C ATOM 1384 O ASP A 93 8.336 -2.325 3.695 1.00 0.94 O ATOM 1385 CB ASP A 93 10.594 -2.741 1.592 1.00 0.77 C ATOM 1386 CG ASP A 93 11.553 -2.437 0.454 1.00 1.62 C ATOM 1387 OD1 ASP A 93 12.744 -2.150 0.692 1.00 2.80 O ATOM 1388 OD2 ASP A 93 11.082 -2.425 -0.701 1.00 2.18 O ATOM 0 H ASP A 93 10.548 -0.916 3.528 1.00 0.88 H new ATOM 0 HA ASP A 93 9.369 -1.198 0.805 1.00 0.82 H new ATOM 0 HB2 ASP A 93 11.155 -2.912 2.511 1.00 0.77 H new ATOM 0 HB3 ASP A 93 10.047 -3.659 1.377 1.00 0.77 H new ATOM 1393 N LEU A 94 7.223 -2.101 1.746 1.00 0.88 N ATOM 1394 CA LEU A 94 5.981 -2.677 2.228 1.00 0.94 C ATOM 1395 C LEU A 94 6.089 -4.194 2.069 1.00 0.89 C ATOM 1396 O LEU A 94 6.578 -4.666 1.044 1.00 0.96 O ATOM 1397 CB LEU A 94 4.798 -2.130 1.421 1.00 1.18 C ATOM 1398 CG LEU A 94 4.676 -0.597 1.383 1.00 1.22 C ATOM 1399 CD1 LEU A 94 3.521 -0.187 0.461 1.00 1.42 C ATOM 1400 CD2 LEU A 94 4.377 -0.020 2.762 1.00 1.71 C ATOM 0 H LEU A 94 7.171 -1.744 0.792 1.00 0.88 H new ATOM 0 HA LEU A 94 5.813 -2.418 3.273 1.00 0.94 H new ATOM 0 HB2 LEU A 94 4.878 -2.496 0.398 1.00 1.18 H new ATOM 0 HB3 LEU A 94 3.877 -2.540 1.835 1.00 1.18 H new ATOM 0 HG LEU A 94 5.630 -0.212 1.023 1.00 1.22 H new ATOM 0 HD11 LEU A 94 3.441 0.900 0.439 1.00 1.42 H new ATOM 0 HD12 LEU A 94 3.711 -0.557 -0.547 1.00 1.42 H new ATOM 0 HD13 LEU A 94 2.589 -0.612 0.834 1.00 1.42 H new ATOM 0 HD21 LEU A 94 4.298 1.065 2.693 1.00 1.71 H new ATOM 0 HD22 LEU A 94 3.437 -0.429 3.132 1.00 1.71 H new ATOM 0 HD23 LEU A 94 5.182 -0.283 3.449 1.00 1.71 H new ATOM 1412 N ALA A 95 5.646 -4.971 3.061 1.00 0.93 N ATOM 1413 CA ALA A 95 5.669 -6.421 2.959 1.00 0.99 C ATOM 1414 C ALA A 95 4.466 -6.863 2.137 1.00 0.90 C ATOM 1415 O ALA A 95 3.538 -6.077 1.920 1.00 1.04 O ATOM 1416 CB ALA A 95 5.658 -7.069 4.348 1.00 1.17 C ATOM 0 H ALA A 95 5.269 -4.615 3.939 1.00 0.93 H new ATOM 0 HA ALA A 95 6.587 -6.742 2.466 1.00 0.99 H new ATOM 0 HB1 ALA A 95 5.676 -8.154 4.244 1.00 1.17 H new ATOM 0 HB2 ALA A 95 6.535 -6.744 4.908 1.00 1.17 H new ATOM 0 HB3 ALA A 95 4.756 -6.771 4.882 1.00 1.17 H new ATOM 1422 N ALA A 96 4.478 -8.131 1.715 1.00 0.86 N ATOM 1423 CA ALA A 96 3.427 -8.663 0.869 1.00 0.88 C ATOM 1424 C ALA A 96 2.184 -8.946 1.705 1.00 0.97 C ATOM 1425 O ALA A 96 2.268 -9.052 2.929 1.00 1.96 O ATOM 1426 CB ALA A 96 3.896 -9.911 0.120 1.00 1.14 C ATOM 0 H ALA A 96 5.209 -8.802 1.951 1.00 0.86 H new ATOM 0 HA ALA A 96 3.173 -7.918 0.115 1.00 0.88 H new ATOM 0 HB1 ALA A 96 3.086 -10.286 -0.505 1.00 1.14 H new ATOM 0 HB2 ALA A 96 4.752 -9.659 -0.507 1.00 1.14 H new ATOM 0 HB3 ALA A 96 4.185 -10.679 0.838 1.00 1.14 H new ATOM 1432 N ALA A 97 1.028 -9.048 1.048 1.00 0.54 N ATOM 1433 CA ALA A 97 -0.236 -9.298 1.713 1.00 0.52 C ATOM 1434 C ALA A 97 -1.183 -10.007 0.753 1.00 0.78 C ATOM 1435 O ALA A 97 -1.015 -9.916 -0.460 1.00 1.62 O ATOM 1436 CB ALA A 97 -0.842 -7.969 2.164 1.00 1.18 C ATOM 0 H ALA A 97 0.950 -8.958 0.035 1.00 0.54 H new ATOM 0 HA ALA A 97 -0.075 -9.931 2.585 1.00 0.52 H new ATOM 0 HB1 ALA A 97 -1.793 -8.154 2.664 1.00 1.18 H new ATOM 0 HB2 ALA A 97 -0.159 -7.473 2.854 1.00 1.18 H new ATOM 0 HB3 ALA A 97 -1.007 -7.331 1.296 1.00 1.18 H new ATOM 1442 N ASP A 98 -2.180 -10.677 1.320 1.00 0.62 N ATOM 1443 CA ASP A 98 -3.393 -11.124 0.665 1.00 0.82 C ATOM 1444 C ASP A 98 -4.356 -9.943 0.557 1.00 0.84 C ATOM 1445 O ASP A 98 -4.174 -8.929 1.228 1.00 1.47 O ATOM 1446 CB ASP A 98 -4.065 -12.149 1.592 1.00 1.64 C ATOM 1447 CG ASP A 98 -4.501 -11.464 2.888 1.00 3.39 C ATOM 1448 OD1 ASP A 98 -5.722 -11.233 3.040 1.00 4.51 O ATOM 1449 OD2 ASP A 98 -3.582 -11.099 3.656 1.00 4.50 O ATOM 0 H ASP A 98 -2.157 -10.935 2.307 1.00 0.62 H new ATOM 0 HA ASP A 98 -3.163 -11.537 -0.317 1.00 0.82 H new ATOM 0 HB2 ASP A 98 -4.928 -12.592 1.095 1.00 1.64 H new ATOM 0 HB3 ASP A 98 -3.373 -12.962 1.814 1.00 1.64 H new ATOM 1454 N ILE A 99 -5.445 -10.133 -0.189 1.00 0.73 N ATOM 1455 CA ILE A 99 -6.715 -9.507 0.074 1.00 0.79 C ATOM 1456 C ILE A 99 -7.756 -10.613 0.284 1.00 0.93 C ATOM 1457 O ILE A 99 -8.385 -11.095 -0.660 1.00 1.35 O ATOM 1458 CB ILE A 99 -7.049 -8.542 -1.064 1.00 0.83 C ATOM 1459 CG1 ILE A 99 -8.486 -8.063 -0.962 1.00 0.85 C ATOM 1460 CG2 ILE A 99 -6.739 -9.117 -2.443 1.00 1.28 C ATOM 1461 CD1 ILE A 99 -8.569 -6.671 -1.587 1.00 1.21 C ATOM 0 H ILE A 99 -5.455 -10.742 -1.007 1.00 0.73 H new ATOM 0 HA ILE A 99 -6.697 -8.904 0.982 1.00 0.79 H new ATOM 0 HB ILE A 99 -6.394 -7.678 -0.949 1.00 0.83 H new ATOM 0 HG12 ILE A 99 -9.154 -8.752 -1.478 1.00 0.85 H new ATOM 0 HG13 ILE A 99 -8.803 -8.032 0.080 1.00 0.85 H new ATOM 0 HG21 ILE A 99 -6.997 -8.386 -3.209 1.00 1.28 H new ATOM 0 HG22 ILE A 99 -5.677 -9.351 -2.509 1.00 1.28 H new ATOM 0 HG23 ILE A 99 -7.321 -10.025 -2.598 1.00 1.28 H new ATOM 0 HD11 ILE A 99 -9.594 -6.305 -1.526 1.00 1.21 H new ATOM 0 HD12 ILE A 99 -7.908 -5.991 -1.050 1.00 1.21 H new ATOM 0 HD13 ILE A 99 -8.264 -6.723 -2.632 1.00 1.21 H new ATOM 1473 N LYS A 100 -7.929 -11.009 1.545 1.00 1.27 N ATOM 1474 CA LYS A 100 -9.106 -11.671 2.085 1.00 1.69 C ATOM 1475 C LYS A 100 -10.415 -11.118 1.491 1.00 1.45 C ATOM 1476 O LYS A 100 -10.472 -9.947 1.109 1.00 2.53 O ATOM 1477 CB LYS A 100 -9.095 -11.436 3.604 1.00 3.05 C ATOM 1478 CG LYS A 100 -8.752 -9.972 3.937 1.00 4.79 C ATOM 1479 CD LYS A 100 -9.239 -9.595 5.333 1.00 5.89 C ATOM 1480 CE LYS A 100 -8.821 -8.150 5.639 1.00 7.91 C ATOM 1481 NZ LYS A 100 -9.580 -7.571 6.764 1.00 9.23 N ATOM 0 H LYS A 100 -7.209 -10.866 2.253 1.00 1.27 H new ATOM 0 HA LYS A 100 -9.069 -12.731 1.832 1.00 1.69 H new ATOM 0 HB2 LYS A 100 -10.070 -11.688 4.021 1.00 3.05 H new ATOM 0 HB3 LYS A 100 -8.367 -12.099 4.072 1.00 3.05 H new ATOM 0 HG2 LYS A 100 -7.674 -9.825 3.873 1.00 4.79 H new ATOM 0 HG3 LYS A 100 -9.208 -9.312 3.199 1.00 4.79 H new ATOM 0 HD2 LYS A 100 -10.323 -9.693 5.392 1.00 5.89 H new ATOM 0 HD3 LYS A 100 -8.817 -10.273 6.074 1.00 5.89 H new ATOM 0 HE2 LYS A 100 -7.756 -8.124 5.871 1.00 7.91 H new ATOM 0 HE3 LYS A 100 -8.969 -7.536 4.751 1.00 7.91 H new ATOM 0 HZ1 LYS A 100 -9.335 -6.565 6.867 1.00 9.23 H new ATOM 0 HZ2 LYS A 100 -10.599 -7.662 6.579 1.00 9.23 H new ATOM 0 HZ3 LYS A 100 -9.341 -8.077 7.641 1.00 9.23 H new ATOM 1495 N PRO A 101 -11.504 -11.904 1.483 1.00 1.57 N ATOM 1496 CA PRO A 101 -12.813 -11.451 1.036 1.00 2.31 C ATOM 1497 C PRO A 101 -13.466 -10.546 2.089 1.00 1.64 C ATOM 1498 O PRO A 101 -14.521 -10.865 2.638 1.00 2.49 O ATOM 1499 CB PRO A 101 -13.607 -12.738 0.792 1.00 3.78 C ATOM 1500 CG PRO A 101 -13.031 -13.699 1.831 1.00 3.90 C ATOM 1501 CD PRO A 101 -11.555 -13.304 1.881 1.00 2.60 C ATOM 0 HA PRO A 101 -12.765 -10.843 0.133 1.00 2.31 H new ATOM 0 HB2 PRO A 101 -14.677 -12.585 0.933 1.00 3.78 H new ATOM 0 HB3 PRO A 101 -13.469 -13.111 -0.223 1.00 3.78 H new ATOM 0 HG2 PRO A 101 -13.514 -13.582 2.801 1.00 3.90 H new ATOM 0 HG3 PRO A 101 -13.161 -14.740 1.534 1.00 3.90 H new ATOM 0 HD2 PRO A 101 -11.148 -13.441 2.883 1.00 2.60 H new ATOM 0 HD3 PRO A 101 -10.962 -13.923 1.208 1.00 2.60 H new ATOM 1509 N ASP A 102 -12.854 -9.391 2.360 1.00 1.50 N ATOM 1510 CA ASP A 102 -13.392 -8.375 3.255 1.00 1.89 C ATOM 1511 C ASP A 102 -14.586 -7.705 2.575 1.00 2.11 C ATOM 1512 O ASP A 102 -14.469 -6.598 2.049 1.00 3.50 O ATOM 1513 CB ASP A 102 -12.297 -7.365 3.623 1.00 2.85 C ATOM 1514 CG ASP A 102 -12.640 -6.605 4.892 1.00 4.34 C ATOM 1515 OD1 ASP A 102 -11.936 -6.851 5.897 1.00 5.52 O ATOM 1516 OD2 ASP A 102 -13.572 -5.773 4.832 1.00 4.94 O ATOM 0 H ASP A 102 -11.954 -9.135 1.954 1.00 1.50 H new ATOM 0 HA ASP A 102 -13.735 -8.828 4.185 1.00 1.89 H new ATOM 0 HB2 ASP A 102 -11.350 -7.887 3.756 1.00 2.85 H new ATOM 0 HB3 ASP A 102 -12.160 -6.661 2.802 1.00 2.85 H new ATOM 1521 N GLY A 103 -15.718 -8.409 2.543 1.00 2.03 N ATOM 1522 CA GLY A 103 -16.937 -8.053 1.832 1.00 2.50 C ATOM 1523 C GLY A 103 -17.150 -6.548 1.662 1.00 2.59 C ATOM 1524 O GLY A 103 -17.333 -5.825 2.642 1.00 3.65 O ATOM 0 H GLY A 103 -15.809 -9.293 3.043 1.00 2.03 H new ATOM 0 HA2 GLY A 103 -16.918 -8.519 0.847 1.00 2.50 H new ATOM 0 HA3 GLY A 103 -17.790 -8.471 2.366 1.00 2.50 H new ATOM 1528 N LYS A 104 -17.097 -6.066 0.417 1.00 2.10 N ATOM 1529 CA LYS A 104 -17.624 -4.755 0.047 1.00 2.47 C ATOM 1530 C LYS A 104 -17.968 -4.661 -1.445 1.00 2.27 C ATOM 1531 O LYS A 104 -19.071 -4.242 -1.781 1.00 3.48 O ATOM 1532 CB LYS A 104 -16.757 -3.598 0.570 1.00 2.96 C ATOM 1533 CG LYS A 104 -15.255 -3.737 0.325 1.00 4.25 C ATOM 1534 CD LYS A 104 -14.468 -2.788 1.247 1.00 5.36 C ATOM 1535 CE LYS A 104 -13.983 -3.435 2.558 1.00 6.02 C ATOM 1536 NZ LYS A 104 -14.978 -4.306 3.219 1.00 5.72 N ATOM 0 H LYS A 104 -16.685 -6.578 -0.363 1.00 2.10 H new ATOM 0 HA LYS A 104 -18.577 -4.641 0.563 1.00 2.47 H new ATOM 0 HB2 LYS A 104 -17.099 -2.673 0.106 1.00 2.96 H new ATOM 0 HB3 LYS A 104 -16.925 -3.498 1.642 1.00 2.96 H new ATOM 0 HG2 LYS A 104 -14.945 -4.767 0.504 1.00 4.25 H new ATOM 0 HG3 LYS A 104 -15.028 -3.512 -0.717 1.00 4.25 H new ATOM 0 HD2 LYS A 104 -13.604 -2.406 0.703 1.00 5.36 H new ATOM 0 HD3 LYS A 104 -15.097 -1.931 1.489 1.00 5.36 H new ATOM 0 HE2 LYS A 104 -13.088 -4.021 2.349 1.00 6.02 H new ATOM 0 HE3 LYS A 104 -13.693 -2.646 3.252 1.00 6.02 H new ATOM 0 HZ1 LYS A 104 -14.595 -4.645 4.125 1.00 5.72 H new ATOM 0 HZ2 LYS A 104 -15.851 -3.767 3.392 1.00 5.72 H new ATOM 0 HZ3 LYS A 104 -15.189 -5.119 2.606 1.00 5.72 H new ATOM 1550 N ARG A 105 -17.046 -5.064 -2.323 1.00 1.81 N ATOM 1551 CA ARG A 105 -17.220 -5.214 -3.772 1.00 1.98 C ATOM 1552 C ARG A 105 -15.924 -5.811 -4.275 1.00 2.06 C ATOM 1553 O ARG A 105 -15.893 -6.952 -4.721 1.00 3.27 O ATOM 1554 CB ARG A 105 -17.485 -3.867 -4.483 1.00 2.14 C ATOM 1555 CG ARG A 105 -18.963 -3.673 -4.847 1.00 2.90 C ATOM 1556 CD ARG A 105 -19.271 -2.181 -5.005 1.00 3.51 C ATOM 1557 NE ARG A 105 -20.693 -1.967 -5.316 1.00 4.57 N ATOM 1558 CZ ARG A 105 -21.313 -0.776 -5.288 1.00 5.62 C ATOM 1559 NH1 ARG A 105 -20.613 0.330 -5.015 1.00 5.99 N ATOM 1560 NH2 ARG A 105 -22.626 -0.699 -5.530 1.00 6.71 N ATOM 0 H ARG A 105 -16.102 -5.309 -2.025 1.00 1.81 H new ATOM 0 HA ARG A 105 -18.088 -5.839 -3.983 1.00 1.98 H new ATOM 0 HB2 ARG A 105 -17.163 -3.050 -3.837 1.00 2.14 H new ATOM 0 HB3 ARG A 105 -16.881 -3.814 -5.389 1.00 2.14 H new ATOM 0 HG2 ARG A 105 -19.190 -4.200 -5.774 1.00 2.90 H new ATOM 0 HG3 ARG A 105 -19.597 -4.104 -4.072 1.00 2.90 H new ATOM 0 HD2 ARG A 105 -19.012 -1.653 -4.087 1.00 3.51 H new ATOM 0 HD3 ARG A 105 -18.654 -1.761 -5.799 1.00 3.51 H new ATOM 0 HE ARG A 105 -21.249 -2.783 -5.572 1.00 4.57 H new ATOM 0 HH11 ARG A 105 -19.612 0.267 -4.829 1.00 5.99 H new ATOM 0 HH12 ARG A 105 -21.080 1.237 -4.993 1.00 5.99 H new ATOM 0 HH21 ARG A 105 -23.157 -1.545 -5.736 1.00 6.71 H new ATOM 0 HH22 ARG A 105 -23.096 0.206 -5.509 1.00 6.71 H new ATOM 1574 N HIS A 106 -14.857 -5.042 -4.072 1.00 2.18 N ATOM 1575 CA HIS A 106 -13.543 -5.572 -3.775 1.00 2.17 C ATOM 1576 C HIS A 106 -13.439 -5.708 -2.248 1.00 1.97 C ATOM 1577 O HIS A 106 -14.451 -5.991 -1.601 1.00 3.42 O ATOM 1578 CB HIS A 106 -12.484 -4.699 -4.449 1.00 2.45 C ATOM 1579 CG HIS A 106 -12.715 -3.215 -4.278 1.00 3.70 C ATOM 1580 ND1 HIS A 106 -13.278 -2.413 -5.247 1.00 5.28 N ATOM 1581 CD2 HIS A 106 -12.779 -2.522 -3.095 1.00 4.44 C ATOM 1582 CE1 HIS A 106 -13.665 -1.269 -4.662 1.00 6.39 C ATOM 1583 NE2 HIS A 106 -13.404 -1.297 -3.345 1.00 5.99 N ATOM 0 H HIS A 106 -14.888 -4.023 -4.111 1.00 2.18 H new ATOM 0 HA HIS A 106 -13.370 -6.568 -4.183 1.00 2.17 H new ATOM 0 HB2 HIS A 106 -11.505 -4.954 -4.043 1.00 2.45 H new ATOM 0 HB3 HIS A 106 -12.458 -4.933 -5.513 1.00 2.45 H new ATOM 0 HD1 HIS A 106 -13.382 -2.647 -6.234 1.00 5.28 H new ATOM 0 HD2 HIS A 106 -12.411 -2.863 -2.139 1.00 4.44 H new ATOM 0 HE1 HIS A 106 -14.124 -0.439 -5.179 1.00 6.39 H new ATOM 1591 N ALA A 107 -12.260 -5.504 -1.655 1.00 1.67 N ATOM 1592 CA ALA A 107 -11.981 -5.753 -0.251 1.00 2.26 C ATOM 1593 C ALA A 107 -10.694 -5.003 0.124 1.00 1.90 C ATOM 1594 O ALA A 107 -10.335 -4.066 -0.590 1.00 2.19 O ATOM 1595 CB ALA A 107 -11.926 -7.269 -0.045 1.00 3.72 C ATOM 0 H ALA A 107 -11.450 -5.149 -2.163 1.00 1.67 H new ATOM 0 HA ALA A 107 -12.756 -5.377 0.417 1.00 2.26 H new ATOM 0 HB1 ALA A 107 -11.718 -7.487 1.003 1.00 3.72 H new ATOM 0 HB2 ALA A 107 -12.884 -7.709 -0.323 1.00 3.72 H new ATOM 0 HB3 ALA A 107 -11.138 -7.692 -0.667 1.00 3.72 H new ATOM 1601 N VAL A 108 -10.003 -5.387 1.206 1.00 1.43 N ATOM 1602 CA VAL A 108 -8.776 -4.734 1.661 1.00 1.14 C ATOM 1603 C VAL A 108 -7.713 -5.754 2.059 1.00 1.05 C ATOM 1604 O VAL A 108 -8.051 -6.856 2.490 1.00 1.20 O ATOM 1605 CB VAL A 108 -9.050 -3.799 2.851 1.00 1.03 C ATOM 1606 CG1 VAL A 108 -9.621 -2.478 2.353 1.00 1.36 C ATOM 1607 CG2 VAL A 108 -9.985 -4.413 3.897 1.00 1.11 C ATOM 0 H VAL A 108 -10.287 -6.170 1.795 1.00 1.43 H new ATOM 0 HA VAL A 108 -8.404 -4.146 0.822 1.00 1.14 H new ATOM 0 HB VAL A 108 -8.093 -3.631 3.346 1.00 1.03 H new ATOM 0 HG11 VAL A 108 -9.812 -1.821 3.202 1.00 1.36 H new ATOM 0 HG12 VAL A 108 -8.906 -2.003 1.681 1.00 1.36 H new ATOM 0 HG13 VAL A 108 -10.554 -2.663 1.820 1.00 1.36 H new ATOM 0 HG21 VAL A 108 -10.138 -3.703 4.710 1.00 1.11 H new ATOM 0 HG22 VAL A 108 -10.944 -4.647 3.435 1.00 1.11 H new ATOM 0 HG23 VAL A 108 -9.540 -5.326 4.292 1.00 1.11 H new ATOM 1617 N ILE A 109 -6.440 -5.358 1.943 1.00 0.98 N ATOM 1618 CA ILE A 109 -5.304 -6.130 2.417 1.00 0.96 C ATOM 1619 C ILE A 109 -5.066 -5.898 3.914 1.00 1.10 C ATOM 1620 O ILE A 109 -5.742 -5.078 4.532 1.00 1.51 O ATOM 1621 CB ILE A 109 -4.037 -5.826 1.591 1.00 1.08 C ATOM 1622 CG1 ILE A 109 -3.448 -4.460 1.948 1.00 2.36 C ATOM 1623 CG2 ILE A 109 -4.299 -5.934 0.084 1.00 1.72 C ATOM 1624 CD1 ILE A 109 -2.178 -4.152 1.161 1.00 2.67 C ATOM 0 H ILE A 109 -6.174 -4.475 1.508 1.00 0.98 H new ATOM 0 HA ILE A 109 -5.538 -7.186 2.279 1.00 0.96 H new ATOM 0 HB ILE A 109 -3.300 -6.586 1.851 1.00 1.08 H new ATOM 0 HG12 ILE A 109 -4.190 -3.685 1.754 1.00 2.36 H new ATOM 0 HG13 ILE A 109 -3.228 -4.430 3.015 1.00 2.36 H new ATOM 0 HG21 ILE A 109 -3.382 -5.712 -0.462 1.00 1.72 H new ATOM 0 HG22 ILE A 109 -4.629 -6.945 -0.156 1.00 1.72 H new ATOM 0 HG23 ILE A 109 -5.073 -5.222 -0.203 1.00 1.72 H new ATOM 0 HD11 ILE A 109 -1.799 -3.172 1.451 1.00 2.67 H new ATOM 0 HD12 ILE A 109 -1.424 -4.910 1.375 1.00 2.67 H new ATOM 0 HD13 ILE A 109 -2.402 -4.154 0.094 1.00 2.67 H new ATOM 1636 N SER A 110 -4.080 -6.597 4.491 1.00 1.02 N ATOM 1637 CA SER A 110 -3.632 -6.385 5.865 1.00 1.08 C ATOM 1638 C SER A 110 -2.103 -6.505 5.968 1.00 0.90 C ATOM 1639 O SER A 110 -1.602 -7.344 6.717 1.00 1.30 O ATOM 1640 CB SER A 110 -4.351 -7.397 6.770 1.00 1.44 C ATOM 1641 OG SER A 110 -3.941 -7.254 8.114 1.00 2.21 O ATOM 0 H SER A 110 -3.567 -7.334 4.007 1.00 1.02 H new ATOM 0 HA SER A 110 -3.884 -5.376 6.191 1.00 1.08 H new ATOM 0 HB2 SER A 110 -5.429 -7.253 6.698 1.00 1.44 H new ATOM 0 HB3 SER A 110 -4.141 -8.410 6.428 1.00 1.44 H new ATOM 0 HG SER A 110 -2.962 -7.279 8.162 1.00 2.21 H new ATOM 1647 N GLY A 111 -1.355 -5.668 5.243 1.00 0.68 N ATOM 1648 CA GLY A 111 0.104 -5.750 5.212 1.00 0.61 C ATOM 1649 C GLY A 111 0.793 -5.127 6.439 1.00 0.52 C ATOM 1650 O GLY A 111 0.147 -4.591 7.341 1.00 0.86 O ATOM 0 H GLY A 111 -1.742 -4.921 4.666 1.00 0.68 H new ATOM 0 HA2 GLY A 111 0.397 -6.797 5.136 1.00 0.61 H new ATOM 0 HA3 GLY A 111 0.466 -5.252 4.313 1.00 0.61 H new ATOM 1654 N SER A 112 2.130 -5.212 6.491 1.00 0.73 N ATOM 1655 CA SER A 112 3.000 -4.468 7.406 1.00 0.74 C ATOM 1656 C SER A 112 4.275 -4.072 6.656 1.00 0.68 C ATOM 1657 O SER A 112 4.474 -4.554 5.543 1.00 0.75 O ATOM 1658 CB SER A 112 3.314 -5.307 8.646 1.00 0.93 C ATOM 1659 OG SER A 112 2.145 -5.434 9.437 1.00 1.87 O ATOM 0 H SER A 112 2.654 -5.828 5.869 1.00 0.73 H new ATOM 0 HA SER A 112 2.497 -3.564 7.750 1.00 0.74 H new ATOM 0 HB2 SER A 112 3.675 -6.292 8.350 1.00 0.93 H new ATOM 0 HB3 SER A 112 4.109 -4.837 9.225 1.00 0.93 H new ATOM 0 HG SER A 112 1.362 -5.175 8.908 1.00 1.87 H new ATOM 1665 N VAL A 113 5.103 -3.179 7.215 1.00 0.76 N ATOM 1666 CA VAL A 113 6.208 -2.554 6.477 1.00 0.83 C ATOM 1667 C VAL A 113 7.551 -2.697 7.207 1.00 0.96 C ATOM 1668 O VAL A 113 7.587 -3.112 8.367 1.00 1.22 O ATOM 1669 CB VAL A 113 5.853 -1.090 6.117 1.00 0.96 C ATOM 1670 CG1 VAL A 113 4.340 -0.855 6.028 1.00 0.98 C ATOM 1671 CG2 VAL A 113 6.390 -0.024 7.071 1.00 1.16 C ATOM 0 H VAL A 113 5.027 -2.872 8.185 1.00 0.76 H new ATOM 0 HA VAL A 113 6.343 -3.091 5.538 1.00 0.83 H new ATOM 0 HB VAL A 113 6.344 -0.976 5.151 1.00 0.96 H new ATOM 0 HG11 VAL A 113 4.148 0.187 5.773 1.00 0.98 H new ATOM 0 HG12 VAL A 113 3.916 -1.501 5.259 1.00 0.98 H new ATOM 0 HG13 VAL A 113 3.879 -1.084 6.989 1.00 0.98 H new ATOM 0 HG21 VAL A 113 6.083 0.963 6.724 1.00 1.16 H new ATOM 0 HG22 VAL A 113 5.993 -0.197 8.071 1.00 1.16 H new ATOM 0 HG23 VAL A 113 7.478 -0.076 7.099 1.00 1.16 H new ATOM 1681 N LEU A 114 8.659 -2.353 6.535 1.00 0.97 N ATOM 1682 CA LEU A 114 9.972 -2.223 7.169 1.00 1.08 C ATOM 1683 C LEU A 114 10.676 -0.965 6.648 1.00 1.24 C ATOM 1684 O LEU A 114 10.705 -0.743 5.441 1.00 1.22 O ATOM 1685 CB LEU A 114 10.800 -3.508 7.008 1.00 1.15 C ATOM 1686 CG LEU A 114 11.329 -3.740 5.584 1.00 1.47 C ATOM 1687 CD1 LEU A 114 12.807 -3.354 5.470 1.00 2.31 C ATOM 1688 CD2 LEU A 114 11.151 -5.203 5.170 1.00 2.41 C ATOM 0 H LEU A 114 8.666 -2.157 5.534 1.00 0.97 H new ATOM 0 HA LEU A 114 9.848 -2.095 8.244 1.00 1.08 H new ATOM 0 HB2 LEU A 114 11.644 -3.472 7.696 1.00 1.15 H new ATOM 0 HB3 LEU A 114 10.187 -4.361 7.300 1.00 1.15 H new ATOM 0 HG LEU A 114 10.749 -3.104 4.915 1.00 1.47 H new ATOM 0 HD11 LEU A 114 13.151 -3.530 4.451 1.00 2.31 H new ATOM 0 HD12 LEU A 114 12.928 -2.299 5.717 1.00 2.31 H new ATOM 0 HD13 LEU A 114 13.395 -3.958 6.161 1.00 2.31 H new ATOM 0 HD21 LEU A 114 11.532 -5.344 4.159 1.00 2.41 H new ATOM 0 HD22 LEU A 114 11.701 -5.845 5.858 1.00 2.41 H new ATOM 0 HD23 LEU A 114 10.093 -5.463 5.198 1.00 2.41 H new ATOM 1700 N TYR A 115 11.220 -0.143 7.552 1.00 1.55 N ATOM 1701 CA TYR A 115 11.934 1.102 7.250 1.00 1.83 C ATOM 1702 C TYR A 115 13.433 0.830 7.260 1.00 1.77 C ATOM 1703 O TYR A 115 14.147 1.235 8.171 1.00 1.98 O ATOM 1704 CB TYR A 115 11.490 2.287 8.141 1.00 2.33 C ATOM 1705 CG TYR A 115 11.877 2.354 9.616 1.00 1.90 C ATOM 1706 CD1 TYR A 115 12.381 1.240 10.310 1.00 3.27 C ATOM 1707 CD2 TYR A 115 11.816 3.594 10.280 1.00 2.14 C ATOM 1708 CE1 TYR A 115 13.082 1.420 11.510 1.00 4.53 C ATOM 1709 CE2 TYR A 115 12.493 3.770 11.501 1.00 3.01 C ATOM 1710 CZ TYR A 115 13.227 2.704 12.044 1.00 4.23 C ATOM 1711 OH TYR A 115 14.246 2.942 12.917 1.00 5.71 O ATOM 0 H TYR A 115 11.173 -0.334 8.553 1.00 1.55 H new ATOM 0 HA TYR A 115 11.667 1.435 6.247 1.00 1.83 H new ATOM 0 HB2 TYR A 115 11.865 3.196 7.672 1.00 2.33 H new ATOM 0 HB3 TYR A 115 10.402 2.330 8.095 1.00 2.33 H new ATOM 0 HD1 TYR A 115 12.228 0.245 9.918 1.00 3.27 H new ATOM 0 HD2 TYR A 115 11.250 4.409 9.853 1.00 2.14 H new ATOM 0 HE1 TYR A 115 13.509 0.570 12.021 1.00 4.53 H new ATOM 0 HE2 TYR A 115 12.448 4.718 12.016 1.00 3.01 H new ATOM 0 HH TYR A 115 15.046 2.456 12.627 1.00 5.71 H new ATOM 1721 N ASN A 116 13.888 0.034 6.293 1.00 1.61 N ATOM 1722 CA ASN A 116 15.209 -0.588 6.270 1.00 1.49 C ATOM 1723 C ASN A 116 15.369 -1.657 7.352 1.00 1.03 C ATOM 1724 O ASN A 116 15.696 -2.794 7.027 1.00 1.14 O ATOM 1725 CB ASN A 116 16.337 0.445 6.334 1.00 1.85 C ATOM 1726 CG ASN A 116 17.704 -0.224 6.400 1.00 2.67 C ATOM 1727 OD1 ASN A 116 18.347 -0.212 7.447 1.00 3.52 O ATOM 1728 ND2 ASN A 116 18.158 -0.814 5.299 1.00 3.40 N ATOM 0 H ASN A 116 13.326 -0.203 5.476 1.00 1.61 H new ATOM 0 HA ASN A 116 15.288 -1.093 5.308 1.00 1.49 H new ATOM 0 HB2 ASN A 116 16.289 1.092 5.458 1.00 1.85 H new ATOM 0 HB3 ASN A 116 16.200 1.081 7.208 1.00 1.85 H new ATOM 0 HD21 ASN A 116 19.067 -1.276 5.306 1.00 3.40 H new ATOM 0 HD22 ASN A 116 17.597 -0.805 4.447 1.00 3.40 H new ATOM 1735 N GLN A 117 15.152 -1.306 8.623 1.00 0.90 N ATOM 1736 CA GLN A 117 15.244 -2.264 9.716 1.00 0.93 C ATOM 1737 C GLN A 117 13.877 -2.921 9.936 1.00 1.04 C ATOM 1738 O GLN A 117 13.644 -4.053 9.520 1.00 1.95 O ATOM 1739 CB GLN A 117 15.813 -1.641 11.010 1.00 1.63 C ATOM 1740 CG GLN A 117 17.076 -0.785 10.823 1.00 2.01 C ATOM 1741 CD GLN A 117 16.759 0.703 10.660 1.00 2.32 C ATOM 1742 OE1 GLN A 117 16.121 1.312 11.519 1.00 3.59 O ATOM 1743 NE2 GLN A 117 17.215 1.303 9.566 1.00 1.95 N ATOM 0 H GLN A 117 14.911 -0.359 8.916 1.00 0.90 H new ATOM 0 HA GLN A 117 15.960 -3.036 9.434 1.00 0.93 H new ATOM 0 HB2 GLN A 117 15.040 -1.024 11.468 1.00 1.63 H new ATOM 0 HB3 GLN A 117 16.038 -2.444 11.712 1.00 1.63 H new ATOM 0 HG2 GLN A 117 17.733 -0.921 11.682 1.00 2.01 H new ATOM 0 HG3 GLN A 117 17.621 -1.135 9.946 1.00 2.01 H new ATOM 0 HE21 GLN A 117 17.740 0.770 8.873 1.00 1.95 H new ATOM 0 HE22 GLN A 117 17.040 2.297 9.419 1.00 1.95 H new ATOM 1752 N ALA A 118 12.995 -2.224 10.655 1.00 0.86 N ATOM 1753 CA ALA A 118 11.756 -2.762 11.193 1.00 1.32 C ATOM 1754 C ALA A 118 10.795 -1.614 11.487 1.00 1.27 C ATOM 1755 O ALA A 118 11.128 -0.763 12.305 1.00 2.15 O ATOM 1756 CB ALA A 118 12.093 -3.500 12.484 1.00 2.41 C ATOM 0 H ALA A 118 13.133 -1.239 10.883 1.00 0.86 H new ATOM 0 HA ALA A 118 11.285 -3.440 10.482 1.00 1.32 H new ATOM 0 HB1 ALA A 118 11.182 -3.916 12.914 1.00 2.41 H new ATOM 0 HB2 ALA A 118 12.795 -4.306 12.270 1.00 2.41 H new ATOM 0 HB3 ALA A 118 12.544 -2.806 13.193 1.00 2.41 H new ATOM 1762 N GLU A 119 9.626 -1.581 10.845 1.00 2.40 N ATOM 1763 CA GLU A 119 8.704 -0.456 10.923 1.00 3.37 C ATOM 1764 C GLU A 119 7.308 -1.012 11.157 1.00 2.85 C ATOM 1765 O GLU A 119 6.504 -1.162 10.242 1.00 4.55 O ATOM 1766 CB GLU A 119 8.846 0.337 9.623 1.00 5.75 C ATOM 1767 CG GLU A 119 8.045 1.628 9.423 1.00 7.17 C ATOM 1768 CD GLU A 119 8.529 2.785 10.292 1.00 9.64 C ATOM 1769 OE1 GLU A 119 8.891 2.529 11.461 1.00 10.11 O ATOM 1770 OE2 GLU A 119 8.515 3.919 9.775 1.00 11.32 O ATOM 0 H GLU A 119 9.294 -2.342 10.253 1.00 2.40 H new ATOM 0 HA GLU A 119 8.915 0.225 11.747 1.00 3.37 H new ATOM 0 HB2 GLU A 119 9.901 0.589 9.510 1.00 5.75 H new ATOM 0 HB3 GLU A 119 8.589 -0.334 8.804 1.00 5.75 H new ATOM 0 HG2 GLU A 119 8.101 1.923 8.375 1.00 7.17 H new ATOM 0 HG3 GLU A 119 6.995 1.433 9.643 1.00 7.17 H new ATOM 1777 N LYS A 120 7.010 -1.358 12.409 1.00 1.08 N ATOM 1778 CA LYS A 120 5.736 -1.976 12.732 1.00 1.37 C ATOM 1779 C LYS A 120 4.664 -0.907 12.874 1.00 1.22 C ATOM 1780 O LYS A 120 4.168 -0.616 13.967 1.00 2.18 O ATOM 1781 CB LYS A 120 5.809 -2.969 13.904 1.00 2.64 C ATOM 1782 CG LYS A 120 5.878 -4.435 13.452 1.00 3.92 C ATOM 1783 CD LYS A 120 4.751 -4.906 12.522 1.00 4.49 C ATOM 1784 CE LYS A 120 3.333 -4.426 12.902 1.00 4.64 C ATOM 1785 NZ LYS A 120 2.257 -5.003 12.056 1.00 5.78 N ATOM 0 H LYS A 120 7.631 -1.220 13.206 1.00 1.08 H new ATOM 0 HA LYS A 120 5.446 -2.613 11.897 1.00 1.37 H new ATOM 0 HB2 LYS A 120 6.685 -2.741 14.511 1.00 2.64 H new ATOM 0 HB3 LYS A 120 4.936 -2.833 14.542 1.00 2.64 H new ATOM 0 HG2 LYS A 120 6.830 -4.594 12.946 1.00 3.92 H new ATOM 0 HG3 LYS A 120 5.879 -5.068 14.339 1.00 3.92 H new ATOM 0 HD2 LYS A 120 4.972 -4.566 11.510 1.00 4.49 H new ATOM 0 HD3 LYS A 120 4.753 -5.996 12.500 1.00 4.49 H new ATOM 0 HE2 LYS A 120 3.140 -4.682 13.944 1.00 4.64 H new ATOM 0 HE3 LYS A 120 3.296 -3.339 12.829 1.00 4.64 H new ATOM 0 HZ1 LYS A 120 1.411 -4.400 12.111 1.00 5.78 H new ATOM 0 HZ2 LYS A 120 2.581 -5.055 11.069 1.00 5.78 H new ATOM 0 HZ3 LYS A 120 2.024 -5.958 12.394 1.00 5.78 H new ATOM 1799 N GLY A 121 4.250 -0.423 11.712 1.00 1.14 N ATOM 1800 CA GLY A 121 2.860 -0.160 11.437 1.00 1.29 C ATOM 1801 C GLY A 121 2.408 -1.291 10.535 1.00 0.78 C ATOM 1802 O GLY A 121 3.147 -1.721 9.647 1.00 1.06 O ATOM 0 H GLY A 121 4.876 -0.204 10.937 1.00 1.14 H new ATOM 0 HA2 GLY A 121 2.276 -0.133 12.357 1.00 1.29 H new ATOM 0 HA3 GLY A 121 2.732 0.807 10.950 1.00 1.29 H new ATOM 1806 N SER A 122 1.205 -1.797 10.774 1.00 1.26 N ATOM 1807 CA SER A 122 0.477 -2.498 9.753 1.00 0.97 C ATOM 1808 C SER A 122 -0.152 -1.469 8.814 1.00 0.85 C ATOM 1809 O SER A 122 -0.137 -0.270 9.111 1.00 0.98 O ATOM 1810 CB SER A 122 -0.533 -3.435 10.408 1.00 1.36 C ATOM 1811 OG SER A 122 -0.484 -3.367 11.829 1.00 2.19 O ATOM 0 H SER A 122 0.722 -1.729 11.670 1.00 1.26 H new ATOM 0 HA SER A 122 1.129 -3.128 9.148 1.00 0.97 H new ATOM 0 HB2 SER A 122 -1.537 -3.180 10.068 1.00 1.36 H new ATOM 0 HB3 SER A 122 -0.338 -4.458 10.088 1.00 1.36 H new ATOM 0 HG SER A 122 -1.147 -3.981 12.209 1.00 2.19 H new ATOM 1817 N TYR A 123 -0.682 -1.928 7.681 1.00 0.74 N ATOM 1818 CA TYR A 123 -1.383 -1.053 6.762 1.00 0.73 C ATOM 1819 C TYR A 123 -2.558 -1.775 6.126 1.00 0.65 C ATOM 1820 O TYR A 123 -2.560 -3.001 6.016 1.00 0.67 O ATOM 1821 CB TYR A 123 -0.419 -0.459 5.725 1.00 0.81 C ATOM 1822 CG TYR A 123 0.127 -1.397 4.675 1.00 1.31 C ATOM 1823 CD1 TYR A 123 1.194 -2.247 5.002 1.00 3.26 C ATOM 1824 CD2 TYR A 123 -0.250 -1.240 3.328 1.00 1.39 C ATOM 1825 CE1 TYR A 123 1.812 -3.018 4.005 1.00 4.17 C ATOM 1826 CE2 TYR A 123 0.405 -1.977 2.327 1.00 1.96 C ATOM 1827 CZ TYR A 123 1.371 -2.933 2.679 1.00 3.24 C ATOM 1828 OH TYR A 123 1.898 -3.763 1.737 1.00 4.22 O ATOM 0 H TYR A 123 -0.636 -2.903 7.384 1.00 0.74 H new ATOM 0 HA TYR A 123 -1.793 -0.212 7.321 1.00 0.73 H new ATOM 0 HB2 TYR A 123 -0.931 0.357 5.216 1.00 0.81 H new ATOM 0 HB3 TYR A 123 0.425 -0.022 6.259 1.00 0.81 H new ATOM 0 HD1 TYR A 123 1.541 -2.308 6.023 1.00 3.26 H new ATOM 0 HD2 TYR A 123 -1.041 -0.554 3.064 1.00 1.39 H new ATOM 0 HE1 TYR A 123 2.628 -3.677 4.261 1.00 4.17 H new ATOM 0 HE2 TYR A 123 0.166 -1.808 1.288 1.00 1.96 H new ATOM 0 HH TYR A 123 2.416 -4.469 2.176 1.00 4.22 H new ATOM 1838 N SER A 124 -3.565 -0.992 5.743 1.00 0.69 N ATOM 1839 CA SER A 124 -4.829 -1.451 5.214 1.00 0.74 C ATOM 1840 C SER A 124 -5.016 -0.664 3.932 1.00 0.68 C ATOM 1841 O SER A 124 -4.966 0.566 3.956 1.00 0.72 O ATOM 1842 CB SER A 124 -5.948 -1.168 6.222 1.00 0.85 C ATOM 1843 OG SER A 124 -7.182 -1.649 5.727 1.00 2.35 O ATOM 0 H SER A 124 -3.510 0.025 5.799 1.00 0.69 H new ATOM 0 HA SER A 124 -4.851 -2.525 5.027 1.00 0.74 H new ATOM 0 HB2 SER A 124 -5.719 -1.645 7.175 1.00 0.85 H new ATOM 0 HB3 SER A 124 -6.016 -0.097 6.410 1.00 0.85 H new ATOM 0 HG SER A 124 -7.890 -1.465 6.379 1.00 2.35 H new ATOM 1849 N LEU A 125 -5.139 -1.372 2.815 1.00 0.68 N ATOM 1850 CA LEU A 125 -5.236 -0.788 1.489 1.00 0.68 C ATOM 1851 C LEU A 125 -6.303 -1.545 0.720 1.00 0.74 C ATOM 1852 O LEU A 125 -6.406 -2.763 0.858 1.00 0.88 O ATOM 1853 CB LEU A 125 -3.845 -0.841 0.841 1.00 0.68 C ATOM 1854 CG LEU A 125 -3.733 -0.578 -0.664 1.00 0.79 C ATOM 1855 CD1 LEU A 125 -4.120 -1.757 -1.566 1.00 1.00 C ATOM 1856 CD2 LEU A 125 -4.368 0.727 -1.118 1.00 0.84 C ATOM 0 H LEU A 125 -5.175 -2.391 2.810 1.00 0.68 H new ATOM 0 HA LEU A 125 -5.538 0.259 1.507 1.00 0.68 H new ATOM 0 HB2 LEU A 125 -3.212 -0.116 1.353 1.00 0.68 H new ATOM 0 HB3 LEU A 125 -3.424 -1.827 1.038 1.00 0.68 H new ATOM 0 HG LEU A 125 -2.658 -0.459 -0.803 1.00 0.79 H new ATOM 0 HD11 LEU A 125 -4.006 -1.468 -2.611 1.00 1.00 H new ATOM 0 HD12 LEU A 125 -3.472 -2.607 -1.352 1.00 1.00 H new ATOM 0 HD13 LEU A 125 -5.157 -2.035 -1.377 1.00 1.00 H new ATOM 0 HD21 LEU A 125 -4.245 0.836 -2.195 1.00 0.84 H new ATOM 0 HD22 LEU A 125 -5.430 0.719 -0.873 1.00 0.84 H new ATOM 0 HD23 LEU A 125 -3.885 1.562 -0.611 1.00 0.84 H new ATOM 1868 N GLY A 126 -7.076 -0.821 -0.088 1.00 0.70 N ATOM 1869 CA GLY A 126 -8.114 -1.342 -0.960 1.00 0.73 C ATOM 1870 C GLY A 126 -7.995 -0.695 -2.338 1.00 0.71 C ATOM 1871 O GLY A 126 -7.664 0.484 -2.456 1.00 1.06 O ATOM 0 H GLY A 126 -6.987 0.193 -0.151 1.00 0.70 H new ATOM 0 HA2 GLY A 126 -8.022 -2.425 -1.046 1.00 0.73 H new ATOM 0 HA3 GLY A 126 -9.097 -1.138 -0.535 1.00 0.73 H new ATOM 1875 N ILE A 127 -8.255 -1.475 -3.385 1.00 0.92 N ATOM 1876 CA ILE A 127 -8.264 -0.996 -4.761 1.00 0.89 C ATOM 1877 C ILE A 127 -9.590 -0.274 -5.007 1.00 0.87 C ATOM 1878 O ILE A 127 -10.534 -0.515 -4.259 1.00 1.01 O ATOM 1879 CB ILE A 127 -8.075 -2.210 -5.681 1.00 0.99 C ATOM 1880 CG1 ILE A 127 -7.570 -1.778 -7.061 1.00 1.23 C ATOM 1881 CG2 ILE A 127 -9.344 -3.072 -5.793 1.00 1.30 C ATOM 1882 CD1 ILE A 127 -6.883 -2.957 -7.746 1.00 2.79 C ATOM 0 H ILE A 127 -8.468 -2.469 -3.298 1.00 0.92 H new ATOM 0 HA ILE A 127 -7.459 -0.289 -4.962 1.00 0.89 H new ATOM 0 HB ILE A 127 -7.314 -2.840 -5.221 1.00 0.99 H new ATOM 0 HG12 ILE A 127 -8.402 -1.425 -7.670 1.00 1.23 H new ATOM 0 HG13 ILE A 127 -6.873 -0.946 -6.961 1.00 1.23 H new ATOM 0 HG21 ILE A 127 -9.153 -3.916 -6.456 1.00 1.30 H new ATOM 0 HG22 ILE A 127 -9.621 -3.441 -4.806 1.00 1.30 H new ATOM 0 HG23 ILE A 127 -10.158 -2.470 -6.197 1.00 1.30 H new ATOM 0 HD11 ILE A 127 -6.524 -2.649 -8.728 1.00 2.79 H new ATOM 0 HD12 ILE A 127 -6.040 -3.290 -7.140 1.00 2.79 H new ATOM 0 HD13 ILE A 127 -7.593 -3.776 -7.860 1.00 2.79 H new ATOM 1894 N PHE A 128 -9.695 0.610 -6.010 1.00 0.88 N ATOM 1895 CA PHE A 128 -10.935 1.357 -6.180 1.00 0.92 C ATOM 1896 C PHE A 128 -11.284 1.723 -7.623 1.00 1.17 C ATOM 1897 O PHE A 128 -10.418 1.909 -8.486 1.00 1.57 O ATOM 1898 CB PHE A 128 -10.911 2.595 -5.272 1.00 1.84 C ATOM 1899 CG PHE A 128 -12.244 3.305 -5.184 1.00 2.35 C ATOM 1900 CD1 PHE A 128 -12.446 4.532 -5.847 1.00 3.29 C ATOM 1901 CD2 PHE A 128 -13.320 2.676 -4.531 1.00 3.13 C ATOM 1902 CE1 PHE A 128 -13.724 5.116 -5.867 1.00 4.18 C ATOM 1903 CE2 PHE A 128 -14.598 3.259 -4.557 1.00 3.97 C ATOM 1904 CZ PHE A 128 -14.802 4.477 -5.230 1.00 4.27 C ATOM 0 H PHE A 128 -8.962 0.816 -6.689 1.00 0.88 H new ATOM 0 HA PHE A 128 -11.740 0.685 -5.883 1.00 0.92 H new ATOM 0 HB2 PHE A 128 -10.601 2.295 -4.271 1.00 1.84 H new ATOM 0 HB3 PHE A 128 -10.160 3.293 -5.643 1.00 1.84 H new ATOM 0 HD1 PHE A 128 -11.620 5.023 -6.339 1.00 3.29 H new ATOM 0 HD2 PHE A 128 -13.163 1.744 -4.009 1.00 3.13 H new ATOM 0 HE1 PHE A 128 -13.878 6.058 -6.373 1.00 4.18 H new ATOM 0 HE2 PHE A 128 -15.424 2.772 -4.060 1.00 3.97 H new ATOM 0 HZ PHE A 128 -15.786 4.921 -5.257 1.00 4.27 H new ATOM 1914 N GLY A 129 -12.601 1.823 -7.848 1.00 1.71 N ATOM 1915 CA GLY A 129 -13.219 2.359 -9.050 1.00 2.63 C ATOM 1916 C GLY A 129 -13.805 1.268 -9.948 1.00 1.84 C ATOM 1917 O GLY A 129 -14.540 1.575 -10.885 1.00 2.48 O ATOM 0 H GLY A 129 -13.289 1.516 -7.160 1.00 1.71 H new ATOM 0 HA2 GLY A 129 -14.009 3.055 -8.768 1.00 2.63 H new ATOM 0 HA3 GLY A 129 -12.478 2.928 -9.612 1.00 2.63 H new ATOM 1921 N GLY A 130 -13.449 0.005 -9.705 1.00 1.13 N ATOM 1922 CA GLY A 130 -13.830 -1.121 -10.540 1.00 1.56 C ATOM 1923 C GLY A 130 -12.595 -1.567 -11.310 1.00 1.70 C ATOM 1924 O GLY A 130 -11.849 -2.422 -10.842 1.00 2.82 O ATOM 0 H GLY A 130 -12.876 -0.262 -8.904 1.00 1.13 H new ATOM 0 HA2 GLY A 130 -14.215 -1.937 -9.929 1.00 1.56 H new ATOM 0 HA3 GLY A 130 -14.626 -0.835 -11.227 1.00 1.56 H new ATOM 1928 N LYS A 131 -12.311 -0.933 -12.453 1.00 1.35 N ATOM 1929 CA LYS A 131 -11.178 -1.317 -13.295 1.00 1.37 C ATOM 1930 C LYS A 131 -9.817 -0.884 -12.722 1.00 1.21 C ATOM 1931 O LYS A 131 -8.923 -0.577 -13.503 1.00 1.47 O ATOM 1932 CB LYS A 131 -11.381 -0.811 -14.741 1.00 1.60 C ATOM 1933 CG LYS A 131 -11.499 0.719 -14.831 1.00 1.63 C ATOM 1934 CD LYS A 131 -10.672 1.371 -15.956 1.00 1.90 C ATOM 1935 CE LYS A 131 -9.156 1.352 -15.670 1.00 3.37 C ATOM 1936 NZ LYS A 131 -8.392 2.301 -16.506 1.00 3.98 N ATOM 0 H LYS A 131 -12.854 -0.149 -12.815 1.00 1.35 H new ATOM 0 HA LYS A 131 -11.151 -2.407 -13.310 1.00 1.37 H new ATOM 0 HB2 LYS A 131 -10.545 -1.142 -15.357 1.00 1.60 H new ATOM 0 HB3 LYS A 131 -12.281 -1.264 -15.156 1.00 1.60 H new ATOM 0 HG2 LYS A 131 -12.548 0.980 -14.974 1.00 1.63 H new ATOM 0 HG3 LYS A 131 -11.191 1.149 -13.878 1.00 1.63 H new ATOM 0 HD2 LYS A 131 -10.867 0.850 -16.893 1.00 1.90 H new ATOM 0 HD3 LYS A 131 -10.999 2.402 -16.091 1.00 1.90 H new ATOM 0 HE2 LYS A 131 -8.989 1.588 -14.619 1.00 3.37 H new ATOM 0 HE3 LYS A 131 -8.775 0.344 -15.835 1.00 3.37 H new ATOM 0 HZ1 LYS A 131 -7.572 2.652 -15.972 1.00 3.98 H new ATOM 0 HZ2 LYS A 131 -8.064 1.819 -17.367 1.00 3.98 H new ATOM 0 HZ3 LYS A 131 -9.002 3.101 -16.768 1.00 3.98 H new ATOM 1950 N ALA A 132 -9.638 -0.850 -11.392 1.00 0.99 N ATOM 1951 CA ALA A 132 -8.417 -0.384 -10.748 1.00 0.90 C ATOM 1952 C ALA A 132 -8.049 0.992 -11.287 1.00 1.02 C ATOM 1953 O ALA A 132 -7.119 1.114 -12.079 1.00 1.43 O ATOM 1954 CB ALA A 132 -7.277 -1.388 -10.956 1.00 1.05 C ATOM 0 H ALA A 132 -10.353 -1.152 -10.731 1.00 0.99 H new ATOM 0 HA ALA A 132 -8.587 -0.302 -9.674 1.00 0.90 H new ATOM 0 HB1 ALA A 132 -6.375 -1.020 -10.467 1.00 1.05 H new ATOM 0 HB2 ALA A 132 -7.556 -2.350 -10.526 1.00 1.05 H new ATOM 0 HB3 ALA A 132 -7.088 -1.508 -12.023 1.00 1.05 H new ATOM 1960 N GLN A 133 -8.799 2.017 -10.886 1.00 0.85 N ATOM 1961 CA GLN A 133 -8.565 3.385 -11.329 1.00 0.94 C ATOM 1962 C GLN A 133 -7.637 4.029 -10.320 1.00 1.03 C ATOM 1963 O GLN A 133 -6.574 4.545 -10.680 1.00 1.32 O ATOM 1964 CB GLN A 133 -9.888 4.146 -11.467 1.00 0.92 C ATOM 1965 CG GLN A 133 -10.482 3.869 -12.856 1.00 1.34 C ATOM 1966 CD GLN A 133 -11.995 3.753 -12.835 1.00 1.66 C ATOM 1967 OE1 GLN A 133 -12.712 4.583 -13.378 1.00 2.02 O ATOM 1968 NE2 GLN A 133 -12.472 2.672 -12.233 1.00 2.57 N ATOM 0 H GLN A 133 -9.586 1.919 -10.244 1.00 0.85 H new ATOM 0 HA GLN A 133 -8.104 3.404 -12.316 1.00 0.94 H new ATOM 0 HB2 GLN A 133 -10.585 3.833 -10.690 1.00 0.92 H new ATOM 0 HB3 GLN A 133 -9.723 5.215 -11.335 1.00 0.92 H new ATOM 0 HG2 GLN A 133 -10.193 4.670 -13.536 1.00 1.34 H new ATOM 0 HG3 GLN A 133 -10.057 2.946 -13.251 1.00 1.34 H new ATOM 0 HE21 GLN A 133 -11.833 2.009 -11.794 1.00 2.57 H new ATOM 0 HE22 GLN A 133 -13.478 2.504 -12.209 1.00 2.57 H new ATOM 1977 N GLU A 134 -8.065 3.941 -9.061 1.00 0.92 N ATOM 1978 CA GLU A 134 -7.392 4.484 -7.907 1.00 1.04 C ATOM 1979 C GLU A 134 -7.170 3.364 -6.895 1.00 1.06 C ATOM 1980 O GLU A 134 -7.672 2.250 -7.062 1.00 1.71 O ATOM 1981 CB GLU A 134 -8.260 5.605 -7.317 1.00 1.15 C ATOM 1982 CG GLU A 134 -8.749 6.588 -8.390 1.00 1.21 C ATOM 1983 CD GLU A 134 -9.493 7.754 -7.759 1.00 1.58 C ATOM 1984 OE1 GLU A 134 -9.043 8.899 -7.975 1.00 2.32 O ATOM 1985 OE2 GLU A 134 -10.498 7.463 -7.074 1.00 2.57 O ATOM 0 H GLU A 134 -8.933 3.464 -8.819 1.00 0.92 H new ATOM 0 HA GLU A 134 -6.422 4.901 -8.178 1.00 1.04 H new ATOM 0 HB2 GLU A 134 -9.120 5.167 -6.809 1.00 1.15 H new ATOM 0 HB3 GLU A 134 -7.687 6.147 -6.564 1.00 1.15 H new ATOM 0 HG2 GLU A 134 -7.899 6.960 -8.962 1.00 1.21 H new ATOM 0 HG3 GLU A 134 -9.403 6.071 -9.092 1.00 1.21 H new ATOM 1992 N VAL A 135 -6.448 3.678 -5.821 1.00 0.59 N ATOM 1993 CA VAL A 135 -6.405 2.851 -4.624 1.00 0.55 C ATOM 1994 C VAL A 135 -6.577 3.789 -3.435 1.00 0.70 C ATOM 1995 O VAL A 135 -6.257 4.975 -3.552 1.00 1.28 O ATOM 1996 CB VAL A 135 -5.100 2.034 -4.524 1.00 0.57 C ATOM 1997 CG1 VAL A 135 -4.633 1.450 -5.863 1.00 0.91 C ATOM 1998 CG2 VAL A 135 -3.968 2.838 -3.874 1.00 1.02 C ATOM 0 H VAL A 135 -5.874 4.519 -5.760 1.00 0.59 H new ATOM 0 HA VAL A 135 -7.203 2.109 -4.650 1.00 0.55 H new ATOM 0 HB VAL A 135 -5.347 1.190 -3.880 1.00 0.57 H new ATOM 0 HG11 VAL A 135 -3.710 0.889 -5.713 1.00 0.91 H new ATOM 0 HG12 VAL A 135 -5.402 0.786 -6.258 1.00 0.91 H new ATOM 0 HG13 VAL A 135 -4.455 2.260 -6.571 1.00 0.91 H new ATOM 0 HG21 VAL A 135 -3.068 2.225 -3.824 1.00 1.02 H new ATOM 0 HG22 VAL A 135 -3.767 3.729 -4.469 1.00 1.02 H new ATOM 0 HG23 VAL A 135 -4.263 3.133 -2.867 1.00 1.02 H new ATOM 2008 N ALA A 136 -7.039 3.252 -2.306 1.00 0.66 N ATOM 2009 CA ALA A 136 -7.200 3.998 -1.065 1.00 0.76 C ATOM 2010 C ALA A 136 -6.730 3.132 0.101 1.00 0.75 C ATOM 2011 O ALA A 136 -7.149 1.980 0.217 1.00 0.77 O ATOM 2012 CB ALA A 136 -8.669 4.394 -0.896 1.00 0.90 C ATOM 0 H ALA A 136 -7.315 2.273 -2.230 1.00 0.66 H new ATOM 0 HA ALA A 136 -6.600 4.908 -1.090 1.00 0.76 H new ATOM 0 HB1 ALA A 136 -8.791 4.952 0.032 1.00 0.90 H new ATOM 0 HB2 ALA A 136 -8.977 5.016 -1.737 1.00 0.90 H new ATOM 0 HB3 ALA A 136 -9.286 3.496 -0.863 1.00 0.90 H new ATOM 2018 N GLY A 137 -5.830 3.650 0.941 1.00 0.78 N ATOM 2019 CA GLY A 137 -5.346 2.934 2.107 1.00 0.75 C ATOM 2020 C GLY A 137 -4.781 3.870 3.169 1.00 0.77 C ATOM 2021 O GLY A 137 -4.650 5.081 2.964 1.00 0.90 O ATOM 0 H GLY A 137 -5.421 4.577 0.825 1.00 0.78 H new ATOM 0 HA2 GLY A 137 -6.161 2.351 2.536 1.00 0.75 H new ATOM 0 HA3 GLY A 137 -4.575 2.227 1.802 1.00 0.75 H new ATOM 2025 N SER A 138 -4.369 3.291 4.294 1.00 0.72 N ATOM 2026 CA SER A 138 -3.459 3.943 5.214 1.00 0.81 C ATOM 2027 C SER A 138 -2.555 2.899 5.866 1.00 0.75 C ATOM 2028 O SER A 138 -3.001 1.783 6.143 1.00 0.78 O ATOM 2029 CB SER A 138 -4.233 4.749 6.265 1.00 0.93 C ATOM 2030 OG SER A 138 -5.142 5.641 5.642 1.00 1.57 O ATOM 0 H SER A 138 -4.660 2.358 4.587 1.00 0.72 H new ATOM 0 HA SER A 138 -2.834 4.646 4.663 1.00 0.81 H new ATOM 0 HB2 SER A 138 -4.775 4.071 6.924 1.00 0.93 H new ATOM 0 HB3 SER A 138 -3.535 5.309 6.888 1.00 0.93 H new ATOM 0 HG SER A 138 -5.628 6.145 6.328 1.00 1.57 H new ATOM 2036 N ALA A 139 -1.292 3.267 6.103 1.00 0.90 N ATOM 2037 CA ALA A 139 -0.391 2.567 7.004 1.00 0.87 C ATOM 2038 C ALA A 139 -0.356 3.311 8.328 1.00 0.77 C ATOM 2039 O ALA A 139 -0.480 4.531 8.311 1.00 0.82 O ATOM 2040 CB ALA A 139 1.012 2.489 6.400 1.00 1.04 C ATOM 0 H ALA A 139 -0.864 4.080 5.660 1.00 0.90 H new ATOM 0 HA ALA A 139 -0.746 1.549 7.162 1.00 0.87 H new ATOM 0 HB1 ALA A 139 1.675 1.962 7.086 1.00 1.04 H new ATOM 0 HB2 ALA A 139 0.971 1.953 5.452 1.00 1.04 H new ATOM 0 HB3 ALA A 139 1.392 3.497 6.231 1.00 1.04 H new ATOM 2046 N GLU A 140 -0.192 2.599 9.452 1.00 0.75 N ATOM 2047 CA GLU A 140 -0.109 3.253 10.758 1.00 0.90 C ATOM 2048 C GLU A 140 1.086 2.802 11.596 1.00 1.40 C ATOM 2049 O GLU A 140 0.959 2.032 12.550 1.00 2.24 O ATOM 2050 CB GLU A 140 -1.429 3.163 11.518 1.00 1.22 C ATOM 2051 CG GLU A 140 -2.013 1.755 11.629 1.00 2.29 C ATOM 2052 CD GLU A 140 -3.163 1.723 12.631 1.00 2.95 C ATOM 2053 OE1 GLU A 140 -3.358 2.750 13.328 1.00 2.97 O ATOM 2054 OE2 GLU A 140 -3.813 0.663 12.723 1.00 4.18 O ATOM 0 H GLU A 140 -0.115 1.582 9.480 1.00 0.75 H new ATOM 0 HA GLU A 140 0.075 4.308 10.555 1.00 0.90 H new ATOM 0 HB2 GLU A 140 -1.281 3.559 12.523 1.00 1.22 H new ATOM 0 HB3 GLU A 140 -2.159 3.806 11.026 1.00 1.22 H new ATOM 0 HG2 GLU A 140 -2.367 1.425 10.652 1.00 2.29 H new ATOM 0 HG3 GLU A 140 -1.235 1.057 11.939 1.00 2.29 H new ATOM 2061 N VAL A 141 2.260 3.337 11.267 1.00 1.20 N ATOM 2062 CA VAL A 141 3.461 3.174 12.080 1.00 1.71 C ATOM 2063 C VAL A 141 3.598 4.309 13.106 1.00 1.75 C ATOM 2064 O VAL A 141 2.738 5.180 13.195 1.00 2.41 O ATOM 2065 CB VAL A 141 4.693 2.930 11.202 1.00 2.11 C ATOM 2066 CG1 VAL A 141 4.994 4.113 10.284 1.00 2.17 C ATOM 2067 CG2 VAL A 141 5.867 2.414 12.043 1.00 4.30 C ATOM 0 H VAL A 141 2.404 3.897 10.427 1.00 1.20 H new ATOM 0 HA VAL A 141 3.369 2.271 12.684 1.00 1.71 H new ATOM 0 HB VAL A 141 4.479 2.124 10.500 1.00 2.11 H new ATOM 0 HG11 VAL A 141 5.876 3.892 9.682 1.00 2.17 H new ATOM 0 HG12 VAL A 141 4.142 4.290 9.628 1.00 2.17 H new ATOM 0 HG13 VAL A 141 5.180 5.003 10.886 1.00 2.17 H new ATOM 0 HG21 VAL A 141 6.731 2.248 11.399 1.00 4.30 H new ATOM 0 HG22 VAL A 141 6.120 3.151 12.806 1.00 4.30 H new ATOM 0 HG23 VAL A 141 5.586 1.476 12.523 1.00 4.30 H new ATOM 2077 N LYS A 142 4.609 4.222 13.978 1.00 1.49 N ATOM 2078 CA LYS A 142 4.590 4.839 15.298 1.00 1.81 C ATOM 2079 C LYS A 142 5.942 4.563 15.961 1.00 2.19 C ATOM 2080 O LYS A 142 6.025 3.905 16.995 1.00 3.02 O ATOM 2081 CB LYS A 142 3.430 4.225 16.103 1.00 1.76 C ATOM 2082 CG LYS A 142 3.454 2.686 15.978 1.00 1.71 C ATOM 2083 CD LYS A 142 2.282 2.094 16.777 1.00 1.88 C ATOM 2084 CE LYS A 142 1.966 0.645 16.371 1.00 2.95 C ATOM 2085 NZ LYS A 142 3.162 -0.221 16.392 1.00 3.84 N ATOM 0 H LYS A 142 5.471 3.714 13.779 1.00 1.49 H new ATOM 0 HA LYS A 142 4.436 5.917 15.244 1.00 1.81 H new ATOM 0 HB2 LYS A 142 3.511 4.514 17.151 1.00 1.76 H new ATOM 0 HB3 LYS A 142 2.479 4.613 15.738 1.00 1.76 H new ATOM 0 HG2 LYS A 142 3.380 2.393 14.931 1.00 1.71 H new ATOM 0 HG3 LYS A 142 4.400 2.294 16.352 1.00 1.71 H new ATOM 0 HD2 LYS A 142 2.518 2.127 17.841 1.00 1.88 H new ATOM 0 HD3 LYS A 142 1.396 2.711 16.628 1.00 1.88 H new ATOM 0 HE2 LYS A 142 1.214 0.237 17.047 1.00 2.95 H new ATOM 0 HE3 LYS A 142 1.533 0.637 15.371 1.00 2.95 H new ATOM 0 HZ1 LYS A 142 2.871 -1.212 16.517 1.00 3.84 H new ATOM 0 HZ2 LYS A 142 3.678 -0.122 15.494 1.00 3.84 H new ATOM 0 HZ3 LYS A 142 3.780 0.060 17.179 1.00 3.84 H new ATOM 2099 N THR A 143 7.013 5.010 15.318 1.00 1.69 N ATOM 2100 CA THR A 143 8.383 4.693 15.695 1.00 1.78 C ATOM 2101 C THR A 143 9.162 5.999 15.718 1.00 1.30 C ATOM 2102 O THR A 143 8.597 7.055 15.431 1.00 1.09 O ATOM 2103 CB THR A 143 8.991 3.705 14.684 1.00 2.15 C ATOM 2104 OG1 THR A 143 8.937 4.298 13.408 1.00 2.32 O ATOM 2105 CG2 THR A 143 8.267 2.356 14.705 1.00 3.42 C ATOM 0 H THR A 143 6.951 5.617 14.501 1.00 1.69 H new ATOM 0 HA THR A 143 8.420 4.220 16.676 1.00 1.78 H new ATOM 0 HB THR A 143 10.027 3.497 14.953 1.00 2.15 H new ATOM 0 HG1 THR A 143 8.623 3.639 12.754 1.00 2.32 H new ATOM 0 HG21 THR A 143 8.725 1.686 13.978 1.00 3.42 H new ATOM 0 HG22 THR A 143 8.343 1.918 15.700 1.00 3.42 H new ATOM 0 HG23 THR A 143 7.217 2.503 14.452 1.00 3.42 H new ATOM 2113 N VAL A 144 10.469 5.908 15.987 1.00 1.31 N ATOM 2114 CA VAL A 144 11.397 7.025 15.914 1.00 1.24 C ATOM 2115 C VAL A 144 11.178 7.838 14.633 1.00 1.33 C ATOM 2116 O VAL A 144 11.344 9.055 14.669 1.00 1.52 O ATOM 2117 CB VAL A 144 12.850 6.524 16.041 1.00 1.41 C ATOM 2118 CG1 VAL A 144 13.842 7.697 16.060 1.00 1.93 C ATOM 2119 CG2 VAL A 144 13.051 5.723 17.337 1.00 1.71 C ATOM 0 H VAL A 144 10.914 5.034 16.267 1.00 1.31 H new ATOM 0 HA VAL A 144 11.205 7.695 16.752 1.00 1.24 H new ATOM 0 HB VAL A 144 13.036 5.889 15.175 1.00 1.41 H new ATOM 0 HG11 VAL A 144 14.858 7.313 16.150 1.00 1.93 H new ATOM 0 HG12 VAL A 144 13.750 8.266 15.135 1.00 1.93 H new ATOM 0 HG13 VAL A 144 13.623 8.345 16.908 1.00 1.93 H new ATOM 0 HG21 VAL A 144 14.085 5.383 17.398 1.00 1.71 H new ATOM 0 HG22 VAL A 144 12.826 6.357 18.195 1.00 1.71 H new ATOM 0 HG23 VAL A 144 12.385 4.860 17.338 1.00 1.71 H new ATOM 2129 N ASN A 145 10.767 7.200 13.525 1.00 1.46 N ATOM 2130 CA ASN A 145 10.322 7.964 12.362 1.00 1.64 C ATOM 2131 C ASN A 145 9.153 7.245 11.703 1.00 1.65 C ATOM 2132 O ASN A 145 9.134 7.082 10.486 1.00 1.97 O ATOM 2133 CB ASN A 145 11.467 8.126 11.344 1.00 2.21 C ATOM 2134 CG ASN A 145 12.782 8.564 11.970 1.00 1.78 C ATOM 2135 OD1 ASN A 145 13.060 9.752 12.099 1.00 2.34 O ATOM 2136 ND2 ASN A 145 13.596 7.595 12.376 1.00 1.75 N ATOM 0 H ASN A 145 10.735 6.186 13.416 1.00 1.46 H new ATOM 0 HA ASN A 145 10.010 8.955 12.693 1.00 1.64 H new ATOM 0 HB2 ASN A 145 11.618 7.179 10.827 1.00 2.21 H new ATOM 0 HB3 ASN A 145 11.172 8.857 10.591 1.00 2.21 H new ATOM 0 HD21 ASN A 145 14.488 7.828 12.813 1.00 1.75 H new ATOM 0 HD22 ASN A 145 13.329 6.619 12.251 1.00 1.75 H new ATOM 2143 N GLY A 146 8.121 6.931 12.488 1.00 1.40 N ATOM 2144 CA GLY A 146 6.943 6.261 11.997 1.00 1.57 C ATOM 2145 C GLY A 146 5.767 7.205 12.137 1.00 1.23 C ATOM 2146 O GLY A 146 5.261 7.422 13.235 1.00 1.24 O ATOM 0 H GLY A 146 8.091 7.141 13.486 1.00 1.40 H new ATOM 0 HA2 GLY A 146 7.077 5.973 10.954 1.00 1.57 H new ATOM 0 HA3 GLY A 146 6.764 5.345 12.560 1.00 1.57 H new ATOM 2150 N ILE A 147 5.336 7.747 11.004 1.00 1.06 N ATOM 2151 CA ILE A 147 4.157 8.577 10.892 1.00 1.09 C ATOM 2152 C ILE A 147 2.933 7.655 10.882 1.00 1.16 C ATOM 2153 O ILE A 147 2.854 6.717 10.091 1.00 1.59 O ATOM 2154 CB ILE A 147 4.239 9.451 9.615 1.00 1.17 C ATOM 2155 CG1 ILE A 147 4.859 8.694 8.433 1.00 1.61 C ATOM 2156 CG2 ILE A 147 4.942 10.784 9.904 1.00 1.45 C ATOM 2157 CD1 ILE A 147 6.374 8.846 8.249 1.00 1.37 C ATOM 0 H ILE A 147 5.817 7.613 10.114 1.00 1.06 H new ATOM 0 HA ILE A 147 4.079 9.262 11.736 1.00 1.09 H new ATOM 0 HB ILE A 147 3.220 9.689 9.310 1.00 1.17 H new ATOM 0 HG12 ILE A 147 4.633 7.634 8.549 1.00 1.61 H new ATOM 0 HG13 ILE A 147 4.368 9.026 7.518 1.00 1.61 H new ATOM 0 HG21 ILE A 147 4.986 11.378 8.991 1.00 1.45 H new ATOM 0 HG22 ILE A 147 4.386 11.331 10.666 1.00 1.45 H new ATOM 0 HG23 ILE A 147 5.954 10.592 10.261 1.00 1.45 H new ATOM 0 HD11 ILE A 147 6.695 8.266 7.384 1.00 1.37 H new ATOM 0 HD12 ILE A 147 6.618 9.897 8.093 1.00 1.37 H new ATOM 0 HD13 ILE A 147 6.887 8.483 9.140 1.00 1.37 H new ATOM 2169 N ARG A 148 1.980 7.913 11.777 1.00 1.18 N ATOM 2170 CA ARG A 148 0.768 7.109 11.869 1.00 1.25 C ATOM 2171 C ARG A 148 -0.185 7.462 10.734 1.00 1.20 C ATOM 2172 O ARG A 148 -0.763 6.586 10.104 1.00 1.65 O ATOM 2173 CB ARG A 148 0.087 7.241 13.241 1.00 1.41 C ATOM 2174 CG ARG A 148 -0.854 6.040 13.424 1.00 2.44 C ATOM 2175 CD ARG A 148 -1.823 6.167 14.603 1.00 2.66 C ATOM 2176 NE ARG A 148 -2.755 5.020 14.638 1.00 2.84 N ATOM 2177 CZ ARG A 148 -3.755 4.851 15.513 1.00 2.91 C ATOM 2178 NH1 ARG A 148 -3.966 5.754 16.476 1.00 2.99 N ATOM 2179 NH2 ARG A 148 -4.531 3.770 15.408 1.00 3.57 N ATOM 0 H ARG A 148 2.027 8.677 12.451 1.00 1.18 H new ATOM 0 HA ARG A 148 1.053 6.062 11.767 1.00 1.25 H new ATOM 0 HB2 ARG A 148 0.833 7.265 14.035 1.00 1.41 H new ATOM 0 HB3 ARG A 148 -0.472 8.175 13.300 1.00 1.41 H new ATOM 0 HG2 ARG A 148 -1.431 5.904 12.509 1.00 2.44 H new ATOM 0 HG3 ARG A 148 -0.253 5.141 13.559 1.00 2.44 H new ATOM 0 HD2 ARG A 148 -1.263 6.216 15.537 1.00 2.66 H new ATOM 0 HD3 ARG A 148 -2.386 7.097 14.520 1.00 2.66 H new ATOM 0 HE ARG A 148 -2.625 4.293 13.934 1.00 2.84 H new ATOM 0 HH11 ARG A 148 -3.365 6.575 16.546 1.00 2.99 H new ATOM 0 HH12 ARG A 148 -4.728 5.622 17.141 1.00 2.99 H new ATOM 0 HH21 ARG A 148 -4.358 3.088 14.670 1.00 3.57 H new ATOM 0 HH22 ARG A 148 -5.297 3.626 16.066 1.00 3.57 H new ATOM 2193 N HIS A 149 -0.377 8.751 10.467 1.00 0.90 N ATOM 2194 CA HIS A 149 -1.261 9.165 9.392 1.00 0.98 C ATOM 2195 C HIS A 149 -0.496 9.123 8.069 1.00 0.84 C ATOM 2196 O HIS A 149 -0.220 10.168 7.485 1.00 1.12 O ATOM 2197 CB HIS A 149 -1.876 10.528 9.729 1.00 1.19 C ATOM 2198 CG HIS A 149 -2.734 10.452 10.968 1.00 1.44 C ATOM 2199 ND1 HIS A 149 -4.036 10.002 11.016 1.00 2.48 N ATOM 2200 CD2 HIS A 149 -2.303 10.596 12.261 1.00 1.68 C ATOM 2201 CE1 HIS A 149 -4.380 9.895 12.311 1.00 2.35 C ATOM 2202 NE2 HIS A 149 -3.356 10.237 13.109 1.00 1.65 N ATOM 0 H HIS A 149 0.064 9.516 10.977 1.00 0.90 H new ATOM 0 HA HIS A 149 -2.102 8.480 9.279 1.00 0.98 H new ATOM 0 HB2 HIS A 149 -1.083 11.260 9.878 1.00 1.19 H new ATOM 0 HB3 HIS A 149 -2.477 10.876 8.889 1.00 1.19 H new ATOM 0 HD2 HIS A 149 -1.323 10.928 12.571 1.00 1.68 H new ATOM 0 HE1 HIS A 149 -5.350 9.577 12.662 1.00 2.35 H new ATOM 0 HE2 HIS A 149 -3.348 10.235 14.129 1.00 1.65 H new ATOM 2210 N ILE A 150 -0.158 7.913 7.603 1.00 0.66 N ATOM 2211 CA ILE A 150 0.254 7.714 6.219 1.00 0.80 C ATOM 2212 C ILE A 150 -1.013 7.583 5.380 1.00 0.82 C ATOM 2213 O ILE A 150 -1.687 6.558 5.451 1.00 0.95 O ATOM 2214 CB ILE A 150 1.203 6.512 6.046 1.00 0.96 C ATOM 2215 CG1 ILE A 150 2.588 6.892 6.594 1.00 1.04 C ATOM 2216 CG2 ILE A 150 1.326 6.103 4.568 1.00 1.48 C ATOM 2217 CD1 ILE A 150 3.619 5.761 6.507 1.00 1.40 C ATOM 0 H ILE A 150 -0.164 7.063 8.167 1.00 0.66 H new ATOM 0 HA ILE A 150 0.838 8.570 5.882 1.00 0.80 H new ATOM 0 HB ILE A 150 0.796 5.663 6.595 1.00 0.96 H new ATOM 0 HG12 ILE A 150 2.962 7.755 6.043 1.00 1.04 H new ATOM 0 HG13 ILE A 150 2.485 7.198 7.635 1.00 1.04 H new ATOM 0 HG21 ILE A 150 2.002 5.253 4.481 1.00 1.48 H new ATOM 0 HG22 ILE A 150 0.344 5.826 4.184 1.00 1.48 H new ATOM 0 HG23 ILE A 150 1.719 6.940 3.990 1.00 1.48 H new ATOM 0 HD11 ILE A 150 4.571 6.104 6.912 1.00 1.40 H new ATOM 0 HD12 ILE A 150 3.268 4.904 7.081 1.00 1.40 H new ATOM 0 HD13 ILE A 150 3.752 5.470 5.465 1.00 1.40 H new ATOM 2229 N GLY A 151 -1.326 8.600 4.577 1.00 0.81 N ATOM 2230 CA GLY A 151 -2.385 8.533 3.587 1.00 0.93 C ATOM 2231 C GLY A 151 -1.847 7.838 2.338 1.00 0.90 C ATOM 2232 O GLY A 151 -0.999 8.400 1.645 1.00 0.95 O ATOM 0 H GLY A 151 -0.844 9.498 4.601 1.00 0.81 H new ATOM 0 HA2 GLY A 151 -3.240 7.986 3.985 1.00 0.93 H new ATOM 0 HA3 GLY A 151 -2.735 9.535 3.340 1.00 0.93 H new ATOM 2236 N LEU A 152 -2.318 6.615 2.067 1.00 1.03 N ATOM 2237 CA LEU A 152 -1.940 5.836 0.897 1.00 1.21 C ATOM 2238 C LEU A 152 -3.008 6.081 -0.169 1.00 1.15 C ATOM 2239 O LEU A 152 -4.157 5.677 0.012 1.00 1.19 O ATOM 2240 CB LEU A 152 -1.834 4.360 1.314 1.00 1.47 C ATOM 2241 CG LEU A 152 -1.252 3.364 0.301 1.00 1.27 C ATOM 2242 CD1 LEU A 152 -2.011 3.332 -1.027 1.00 1.11 C ATOM 2243 CD2 LEU A 152 0.239 3.582 0.056 1.00 1.23 C ATOM 0 H LEU A 152 -2.986 6.136 2.671 1.00 1.03 H new ATOM 0 HA LEU A 152 -0.972 6.124 0.486 1.00 1.21 H new ATOM 0 HB2 LEU A 152 -1.226 4.311 2.217 1.00 1.47 H new ATOM 0 HB3 LEU A 152 -2.833 4.017 1.583 1.00 1.47 H new ATOM 0 HG LEU A 152 -1.381 2.388 0.768 1.00 1.27 H new ATOM 0 HD11 LEU A 152 -1.546 2.607 -1.695 1.00 1.11 H new ATOM 0 HD12 LEU A 152 -3.047 3.046 -0.847 1.00 1.11 H new ATOM 0 HD13 LEU A 152 -1.982 4.320 -1.487 1.00 1.11 H new ATOM 0 HD21 LEU A 152 0.599 2.851 -0.668 1.00 1.23 H new ATOM 0 HD22 LEU A 152 0.401 4.588 -0.332 1.00 1.23 H new ATOM 0 HD23 LEU A 152 0.783 3.463 0.993 1.00 1.23 H new ATOM 2255 N ALA A 153 -2.645 6.743 -1.270 1.00 1.16 N ATOM 2256 CA ALA A 153 -3.551 6.990 -2.384 1.00 1.20 C ATOM 2257 C ALA A 153 -2.799 6.787 -3.695 1.00 1.02 C ATOM 2258 O ALA A 153 -1.625 7.142 -3.779 1.00 0.93 O ATOM 2259 CB ALA A 153 -4.107 8.413 -2.288 1.00 1.33 C ATOM 0 H ALA A 153 -1.709 7.123 -1.410 1.00 1.16 H new ATOM 0 HA ALA A 153 -4.388 6.292 -2.348 1.00 1.20 H new ATOM 0 HB1 ALA A 153 -4.784 8.596 -3.122 1.00 1.33 H new ATOM 0 HB2 ALA A 153 -4.648 8.530 -1.349 1.00 1.33 H new ATOM 0 HB3 ALA A 153 -3.285 9.128 -2.325 1.00 1.33 H new ATOM 2265 N ALA A 154 -3.460 6.222 -4.710 1.00 1.12 N ATOM 2266 CA ALA A 154 -2.913 6.042 -6.052 1.00 0.98 C ATOM 2267 C ALA A 154 -3.960 6.443 -7.063 1.00 0.96 C ATOM 2268 O ALA A 154 -5.148 6.332 -6.764 1.00 1.20 O ATOM 2269 CB ALA A 154 -2.559 4.579 -6.339 1.00 1.19 C ATOM 0 H ALA A 154 -4.413 5.870 -4.616 1.00 1.12 H new ATOM 0 HA ALA A 154 -2.012 6.651 -6.119 1.00 0.98 H new ATOM 0 HB1 ALA A 154 -2.156 4.493 -7.348 1.00 1.19 H new ATOM 0 HB2 ALA A 154 -1.814 4.237 -5.621 1.00 1.19 H new ATOM 0 HB3 ALA A 154 -3.455 3.964 -6.253 1.00 1.19 H new ATOM 2275 N LYS A 155 -3.504 6.831 -8.254 1.00 0.85 N ATOM 2276 CA LYS A 155 -4.327 6.902 -9.449 1.00 0.98 C ATOM 2277 C LYS A 155 -3.426 6.808 -10.678 1.00 1.00 C ATOM 2278 O LYS A 155 -2.250 7.160 -10.590 1.00 1.31 O ATOM 2279 CB LYS A 155 -5.246 8.136 -9.420 1.00 1.38 C ATOM 2280 CG LYS A 155 -4.553 9.511 -9.381 1.00 1.52 C ATOM 2281 CD LYS A 155 -3.972 10.044 -10.705 1.00 2.64 C ATOM 2282 CE LYS A 155 -5.013 10.139 -11.832 1.00 3.55 C ATOM 2283 NZ LYS A 155 -4.390 10.420 -13.139 1.00 5.33 N ATOM 0 H LYS A 155 -2.535 7.108 -8.412 1.00 0.85 H new ATOM 0 HA LYS A 155 -5.012 6.055 -9.494 1.00 0.98 H new ATOM 0 HB2 LYS A 155 -5.888 8.103 -10.300 1.00 1.38 H new ATOM 0 HB3 LYS A 155 -5.895 8.057 -8.548 1.00 1.38 H new ATOM 0 HG2 LYS A 155 -5.272 10.241 -9.009 1.00 1.52 H new ATOM 0 HG3 LYS A 155 -3.744 9.461 -8.653 1.00 1.52 H new ATOM 0 HD2 LYS A 155 -3.541 11.031 -10.534 1.00 2.64 H new ATOM 0 HD3 LYS A 155 -3.159 9.393 -11.025 1.00 2.64 H new ATOM 0 HE2 LYS A 155 -5.571 9.204 -11.890 1.00 3.55 H new ATOM 0 HE3 LYS A 155 -5.731 10.924 -11.597 1.00 3.55 H new ATOM 0 HZ1 LYS A 155 -4.658 11.375 -13.453 1.00 5.33 H new ATOM 0 HZ2 LYS A 155 -3.355 10.362 -13.050 1.00 5.33 H new ATOM 0 HZ3 LYS A 155 -4.717 9.722 -13.837 1.00 5.33 H new ATOM 2297 N GLN A 156 -3.962 6.338 -11.808 1.00 1.13 N ATOM 2298 CA GLN A 156 -3.272 6.401 -13.091 1.00 1.58 C ATOM 2299 C GLN A 156 -3.493 7.783 -13.706 1.00 2.35 C ATOM 2300 O GLN A 156 -4.620 8.076 -14.167 1.00 2.86 O ATOM 2301 CB GLN A 156 -3.732 5.251 -13.991 1.00 2.12 C ATOM 2302 CG GLN A 156 -5.246 5.238 -14.267 1.00 3.19 C ATOM 2303 CD GLN A 156 -5.792 3.821 -14.234 1.00 3.78 C ATOM 2304 OE1 GLN A 156 -6.253 3.276 -15.239 1.00 5.17 O ATOM 2305 NE2 GLN A 156 -5.761 3.220 -13.054 1.00 3.24 N ATOM 0 H GLN A 156 -4.884 5.905 -11.855 1.00 1.13 H new ATOM 0 HA GLN A 156 -2.197 6.273 -12.962 1.00 1.58 H new ATOM 0 HB2 GLN A 156 -3.201 5.312 -14.941 1.00 2.12 H new ATOM 0 HB3 GLN A 156 -3.450 4.306 -13.528 1.00 2.12 H new ATOM 0 HG2 GLN A 156 -5.760 5.847 -13.524 1.00 3.19 H new ATOM 0 HG3 GLN A 156 -5.446 5.686 -15.240 1.00 3.19 H new ATOM 0 HE21 GLN A 156 -5.371 3.704 -12.245 1.00 3.24 H new ATOM 0 HE22 GLN A 156 -6.127 2.273 -12.954 1.00 3.24 H new