USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=30 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+ -141:sc= 1.23 (180deg=0) USER MOD Set 1.2: A 133 GLN : amide:sc= 1.16 K(o=2.4,f=-9.1!) USER MOD Set 2.1: A 115 TYR OH : rot -161:sc= 2.13 USER MOD Set 2.2: A 145 ASN : amide:sc= 0.987 K(o=3.1,f=1.2) USER MOD Set 3.1: A 100 LYS NZ :NH3+ -121:sc= 3.06 (180deg=-0.579!) USER MOD Set 3.2: A 110 SER OG : rot -150:sc= 1.02 USER MOD Set 4.1: A 68 THR OG1 : rot -90:sc= 0.911 USER MOD Set 4.2: A 81 LYS NZ :NH3+ -173:sc= 1.04 (180deg=-0.157) USER MOD Set 5.1: A 66 LYS NZ :NH3+ 165:sc= -0.0202 (180deg=-0.0202) USER MOD Set 5.2: A 84 HIS : no HD1:sc= -0.418 X(o=-0.44,f=-0.25) USER MOD Set 6.1: A 40 THR OG1 : rot 180:sc= 0.655 USER MOD Set 6.2: A 76 LYS NZ :NH3+ 162:sc= 2.01 (180deg=-0.655) USER MOD Single : A 39 HIS : no HE2:sc= 0.757 K(o=0.76,f=-3.5!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 178:sc= 1 (180deg=0.841) USER MOD Single : A 52 THR OG1 : rot -158:sc= 1.23 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 38:sc= 0.603 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0.996 USER MOD Single : A 70 THR OG1 : rot 38:sc= 0.949 USER MOD Single : A 77 GLN :FLIP amide:sc= -0.993 F(o=-2.9,f=-0.99) USER MOD Single : A 79 ASN : amide:sc= 1.06 K(o=1.1,f=-3.7!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= -0.504 USER MOD Single : A 91 ASN : amide:sc= -0.588 X(o=-0.59,f=-0.56) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HE2:sc= 0.292 K(o=0.29,f=-2.8!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= 0.0889! C(o=0.089!,f=-5.7!) USER MOD Single : A 117 GLN : amide:sc= -0.805 K(o=-0.8,f=-2.6) USER MOD Single : A 120 LYS NZ :NH3+ -148:sc= 2.04 (180deg=-3.53!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 138 SER OG : rot 32:sc= 1.1 USER MOD Single : A 142 LYS NZ :NH3+ -162:sc= 1.21 (180deg=0.698) USER MOD Single : A 143 THR OG1 : rot -138:sc= 0.41 USER MOD Single : A 149 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 155 LYS NZ :NH3+ -160:sc= 1.96 (180deg=-0.526) USER MOD Single : A 156 GLN : amide:sc= -1.41 K(o=-1.4,f=-9.4!) USER MOD ----------------------------------------------------------------- ATOM 560 N GLY A 37 -10.776 -14.240 -4.462 1.00 2.53 N ATOM 561 CA GLY A 37 -10.735 -12.928 -5.083 1.00 2.17 C ATOM 562 C GLY A 37 -12.142 -12.418 -5.380 1.00 2.14 C ATOM 563 O GLY A 37 -12.657 -12.648 -6.471 1.00 2.96 O ATOM 0 HA2 GLY A 37 -10.222 -12.227 -4.425 1.00 2.17 H new ATOM 0 HA3 GLY A 37 -10.160 -12.977 -6.008 1.00 2.17 H new ATOM 567 N GLU A 38 -12.729 -11.695 -4.422 1.00 2.73 N ATOM 568 CA GLU A 38 -13.961 -10.934 -4.594 1.00 3.27 C ATOM 569 C GLU A 38 -13.770 -9.756 -5.565 1.00 2.76 C ATOM 570 O GLU A 38 -13.097 -9.910 -6.582 1.00 2.29 O ATOM 571 CB GLU A 38 -14.469 -10.493 -3.204 1.00 4.27 C ATOM 572 CG GLU A 38 -13.402 -9.670 -2.457 1.00 6.30 C ATOM 573 CD GLU A 38 -13.968 -8.592 -1.544 1.00 7.77 C ATOM 574 OE1 GLU A 38 -13.956 -7.423 -1.988 1.00 9.07 O ATOM 575 OE2 GLU A 38 -14.364 -8.923 -0.408 1.00 7.91 O ATOM 0 H GLU A 38 -12.346 -11.624 -3.479 1.00 2.73 H new ATOM 0 HA GLU A 38 -14.722 -11.564 -5.054 1.00 3.27 H new ATOM 0 HB2 GLU A 38 -15.377 -9.900 -3.317 1.00 4.27 H new ATOM 0 HB3 GLU A 38 -14.733 -11.371 -2.615 1.00 4.27 H new ATOM 0 HG2 GLU A 38 -12.788 -10.347 -1.863 1.00 6.30 H new ATOM 0 HG3 GLU A 38 -12.744 -9.201 -3.188 1.00 6.30 H new ATOM 582 N HIS A 39 -14.325 -8.568 -5.271 1.00 3.17 N ATOM 583 CA HIS A 39 -14.306 -7.411 -6.169 1.00 3.23 C ATOM 584 C HIS A 39 -12.915 -7.124 -6.717 1.00 2.63 C ATOM 585 O HIS A 39 -12.796 -6.735 -7.876 1.00 2.73 O ATOM 586 CB HIS A 39 -14.906 -6.168 -5.500 1.00 4.15 C ATOM 587 CG HIS A 39 -16.299 -5.865 -5.990 1.00 5.60 C ATOM 588 ND1 HIS A 39 -17.464 -6.314 -5.421 1.00 6.01 N ATOM 589 CD2 HIS A 39 -16.636 -5.082 -7.063 1.00 7.18 C ATOM 590 CE1 HIS A 39 -18.486 -5.817 -6.137 1.00 7.57 C ATOM 591 NE2 HIS A 39 -18.033 -5.067 -7.153 1.00 8.32 N ATOM 0 H HIS A 39 -14.805 -8.387 -4.390 1.00 3.17 H new ATOM 0 HA HIS A 39 -14.936 -7.669 -7.021 1.00 3.23 H new ATOM 0 HB2 HIS A 39 -14.928 -6.315 -4.420 1.00 4.15 H new ATOM 0 HB3 HIS A 39 -14.262 -5.310 -5.691 1.00 4.15 H new ATOM 0 HD1 HIS A 39 -17.540 -6.917 -4.602 1.00 6.01 H new ATOM 0 HD2 HIS A 39 -15.949 -4.570 -7.720 1.00 7.18 H new ATOM 0 HE1 HIS A 39 -19.529 -5.997 -5.924 1.00 7.57 H new ATOM 599 N THR A 40 -11.882 -7.368 -5.902 1.00 2.23 N ATOM 600 CA THR A 40 -10.487 -7.378 -6.323 1.00 1.71 C ATOM 601 C THR A 40 -10.367 -7.955 -7.739 1.00 1.54 C ATOM 602 O THR A 40 -9.785 -7.347 -8.635 1.00 2.05 O ATOM 603 CB THR A 40 -9.585 -8.110 -5.284 1.00 1.39 C ATOM 604 OG1 THR A 40 -8.778 -9.124 -5.863 1.00 2.27 O ATOM 605 CG2 THR A 40 -10.334 -8.793 -4.138 1.00 2.25 C ATOM 0 H THR A 40 -12.002 -7.568 -4.909 1.00 2.23 H new ATOM 0 HA THR A 40 -10.120 -6.352 -6.363 1.00 1.71 H new ATOM 0 HB THR A 40 -8.988 -7.285 -4.895 1.00 1.39 H new ATOM 0 HG1 THR A 40 -8.234 -9.547 -5.166 1.00 2.27 H new ATOM 0 HG21 THR A 40 -9.618 -9.273 -3.471 1.00 2.25 H new ATOM 0 HG22 THR A 40 -10.906 -8.049 -3.583 1.00 2.25 H new ATOM 0 HG23 THR A 40 -11.012 -9.544 -4.543 1.00 2.25 H new ATOM 613 N SER A 41 -10.791 -9.199 -7.915 1.00 1.20 N ATOM 614 CA SER A 41 -10.957 -9.833 -9.215 1.00 1.07 C ATOM 615 C SER A 41 -12.225 -9.346 -9.932 1.00 1.29 C ATOM 616 O SER A 41 -12.172 -8.793 -11.031 1.00 1.32 O ATOM 617 CB SER A 41 -10.889 -11.354 -9.024 1.00 1.25 C ATOM 618 OG SER A 41 -9.594 -11.803 -9.378 1.00 1.70 O ATOM 0 H SER A 41 -11.035 -9.811 -7.137 1.00 1.20 H new ATOM 0 HA SER A 41 -10.147 -9.543 -9.884 1.00 1.07 H new ATOM 0 HB2 SER A 41 -11.108 -11.614 -7.988 1.00 1.25 H new ATOM 0 HB3 SER A 41 -11.640 -11.846 -9.642 1.00 1.25 H new ATOM 0 HG SER A 41 -9.540 -12.774 -9.258 1.00 1.70 H new ATOM 624 N PHE A 42 -13.368 -9.623 -9.301 1.00 1.52 N ATOM 625 CA PHE A 42 -14.696 -9.598 -9.897 1.00 1.63 C ATOM 626 C PHE A 42 -15.041 -8.284 -10.607 1.00 1.68 C ATOM 627 O PHE A 42 -15.711 -8.354 -11.633 1.00 1.74 O ATOM 628 CB PHE A 42 -15.746 -10.011 -8.847 1.00 1.84 C ATOM 629 CG PHE A 42 -17.169 -9.591 -9.162 1.00 2.01 C ATOM 630 CD1 PHE A 42 -17.632 -8.325 -8.755 1.00 3.28 C ATOM 631 CD2 PHE A 42 -17.971 -10.390 -9.995 1.00 2.22 C ATOM 632 CE1 PHE A 42 -18.877 -7.852 -9.199 1.00 3.45 C ATOM 633 CE2 PHE A 42 -19.235 -9.935 -10.405 1.00 2.50 C ATOM 634 CZ PHE A 42 -19.687 -8.663 -10.013 1.00 2.58 C ATOM 0 H PHE A 42 -13.389 -9.882 -8.315 1.00 1.52 H new ATOM 0 HA PHE A 42 -14.704 -10.332 -10.702 1.00 1.63 H new ATOM 0 HB2 PHE A 42 -15.720 -11.095 -8.736 1.00 1.84 H new ATOM 0 HB3 PHE A 42 -15.462 -9.585 -7.885 1.00 1.84 H new ATOM 0 HD1 PHE A 42 -17.027 -7.716 -8.099 1.00 3.28 H new ATOM 0 HD2 PHE A 42 -17.615 -11.356 -10.321 1.00 2.22 H new ATOM 0 HE1 PHE A 42 -19.212 -6.865 -8.915 1.00 3.45 H new ATOM 0 HE2 PHE A 42 -19.860 -10.563 -11.022 1.00 2.50 H new ATOM 0 HZ PHE A 42 -20.655 -8.309 -10.337 1.00 2.58 H new ATOM 644 N ASP A 43 -14.606 -7.122 -10.081 1.00 1.78 N ATOM 645 CA ASP A 43 -14.930 -5.785 -10.603 1.00 2.02 C ATOM 646 C ASP A 43 -15.092 -5.805 -12.125 1.00 1.96 C ATOM 647 O ASP A 43 -16.184 -5.599 -12.654 1.00 2.37 O ATOM 648 CB ASP A 43 -13.831 -4.788 -10.180 1.00 2.30 C ATOM 649 CG ASP A 43 -13.983 -3.393 -10.784 1.00 2.88 C ATOM 650 OD1 ASP A 43 -12.989 -2.631 -10.760 1.00 4.02 O ATOM 651 OD2 ASP A 43 -15.100 -3.066 -11.223 1.00 3.25 O ATOM 0 H ASP A 43 -14.003 -7.090 -9.259 1.00 1.78 H new ATOM 0 HA ASP A 43 -15.884 -5.467 -10.181 1.00 2.02 H new ATOM 0 HB2 ASP A 43 -13.832 -4.703 -9.093 1.00 2.30 H new ATOM 0 HB3 ASP A 43 -12.860 -5.192 -10.467 1.00 2.30 H new ATOM 656 N LYS A 44 -13.981 -6.107 -12.802 1.00 1.76 N ATOM 657 CA LYS A 44 -13.862 -6.309 -14.240 1.00 1.80 C ATOM 658 C LYS A 44 -12.372 -6.415 -14.578 1.00 1.84 C ATOM 659 O LYS A 44 -11.894 -5.696 -15.459 1.00 2.18 O ATOM 660 CB LYS A 44 -14.533 -5.161 -15.028 1.00 2.05 C ATOM 661 CG LYS A 44 -14.212 -3.775 -14.433 1.00 3.08 C ATOM 662 CD LYS A 44 -14.301 -2.634 -15.451 1.00 3.81 C ATOM 663 CE LYS A 44 -12.970 -2.347 -16.166 1.00 5.05 C ATOM 664 NZ LYS A 44 -12.453 -3.511 -16.908 1.00 5.65 N ATOM 0 H LYS A 44 -13.086 -6.223 -12.326 1.00 1.76 H new ATOM 0 HA LYS A 44 -14.377 -7.225 -14.529 1.00 1.80 H new ATOM 0 HB2 LYS A 44 -14.201 -5.194 -16.066 1.00 2.05 H new ATOM 0 HB3 LYS A 44 -15.613 -5.310 -15.034 1.00 2.05 H new ATOM 0 HG2 LYS A 44 -14.901 -3.573 -13.613 1.00 3.08 H new ATOM 0 HG3 LYS A 44 -13.208 -3.795 -14.009 1.00 3.08 H new ATOM 0 HD2 LYS A 44 -15.059 -2.879 -16.195 1.00 3.81 H new ATOM 0 HD3 LYS A 44 -14.634 -1.729 -14.943 1.00 3.81 H new ATOM 0 HE2 LYS A 44 -13.107 -1.514 -16.856 1.00 5.05 H new ATOM 0 HE3 LYS A 44 -12.229 -2.033 -15.431 1.00 5.05 H new ATOM 0 HZ1 LYS A 44 -11.573 -3.249 -17.396 1.00 5.65 H new ATOM 0 HZ2 LYS A 44 -12.262 -4.289 -16.244 1.00 5.65 H new ATOM 0 HZ3 LYS A 44 -13.159 -3.818 -17.608 1.00 5.65 H new ATOM 678 N LEU A 45 -11.618 -7.233 -13.836 1.00 1.71 N ATOM 679 CA LEU A 45 -10.160 -7.166 -13.824 1.00 1.80 C ATOM 680 C LEU A 45 -9.556 -8.532 -14.181 1.00 1.82 C ATOM 681 O LEU A 45 -10.193 -9.555 -13.938 1.00 2.45 O ATOM 682 CB LEU A 45 -9.706 -6.640 -12.453 1.00 1.91 C ATOM 683 CG LEU A 45 -10.254 -5.227 -12.161 1.00 1.97 C ATOM 684 CD1 LEU A 45 -10.049 -4.873 -10.687 1.00 1.82 C ATOM 685 CD2 LEU A 45 -9.618 -4.151 -13.050 1.00 3.02 C ATOM 0 H LEU A 45 -12.004 -7.957 -13.230 1.00 1.71 H new ATOM 0 HA LEU A 45 -9.798 -6.474 -14.584 1.00 1.80 H new ATOM 0 HB2 LEU A 45 -10.040 -7.326 -11.674 1.00 1.91 H new ATOM 0 HB3 LEU A 45 -8.617 -6.621 -12.416 1.00 1.91 H new ATOM 0 HG LEU A 45 -11.319 -5.248 -12.391 1.00 1.97 H new ATOM 0 HD11 LEU A 45 -10.440 -3.874 -10.495 1.00 1.82 H new ATOM 0 HD12 LEU A 45 -10.576 -5.595 -10.063 1.00 1.82 H new ATOM 0 HD13 LEU A 45 -8.985 -4.898 -10.451 1.00 1.82 H new ATOM 0 HD21 LEU A 45 -10.040 -3.177 -12.802 1.00 3.02 H new ATOM 0 HD22 LEU A 45 -8.541 -4.132 -12.884 1.00 3.02 H new ATOM 0 HD23 LEU A 45 -9.820 -4.378 -14.097 1.00 3.02 H new ATOM 697 N PRO A 46 -8.369 -8.560 -14.817 1.00 1.48 N ATOM 698 CA PRO A 46 -7.753 -9.779 -15.326 1.00 1.61 C ATOM 699 C PRO A 46 -7.053 -10.544 -14.196 1.00 1.44 C ATOM 700 O PRO A 46 -7.300 -10.284 -13.023 1.00 1.64 O ATOM 701 CB PRO A 46 -6.761 -9.278 -16.386 1.00 1.95 C ATOM 702 CG PRO A 46 -6.278 -7.959 -15.787 1.00 1.92 C ATOM 703 CD PRO A 46 -7.563 -7.400 -15.180 1.00 1.65 C ATOM 0 HA PRO A 46 -8.473 -10.482 -15.745 1.00 1.61 H new ATOM 0 HB2 PRO A 46 -5.941 -9.979 -16.538 1.00 1.95 H new ATOM 0 HB3 PRO A 46 -7.240 -9.133 -17.354 1.00 1.95 H new ATOM 0 HG2 PRO A 46 -5.504 -8.111 -15.035 1.00 1.92 H new ATOM 0 HG3 PRO A 46 -5.861 -7.295 -16.544 1.00 1.92 H new ATOM 0 HD2 PRO A 46 -7.347 -6.785 -14.306 1.00 1.65 H new ATOM 0 HD3 PRO A 46 -8.089 -6.766 -15.894 1.00 1.65 H new ATOM 711 N GLU A 47 -6.147 -11.459 -14.562 1.00 1.83 N ATOM 712 CA GLU A 47 -5.259 -12.193 -13.664 1.00 2.27 C ATOM 713 C GLU A 47 -3.789 -11.758 -13.826 1.00 1.89 C ATOM 714 O GLU A 47 -2.897 -12.342 -13.218 1.00 2.55 O ATOM 715 CB GLU A 47 -5.447 -13.695 -13.918 1.00 3.19 C ATOM 716 CG GLU A 47 -5.376 -14.071 -15.409 1.00 3.49 C ATOM 717 CD GLU A 47 -5.380 -15.581 -15.609 1.00 4.61 C ATOM 718 OE1 GLU A 47 -5.945 -16.273 -14.736 1.00 5.59 O ATOM 719 OE2 GLU A 47 -4.822 -16.009 -16.641 1.00 4.98 O ATOM 0 H GLU A 47 -6.010 -11.717 -15.539 1.00 1.83 H new ATOM 0 HA GLU A 47 -5.520 -11.967 -12.630 1.00 2.27 H new ATOM 0 HB2 GLU A 47 -4.681 -14.248 -13.374 1.00 3.19 H new ATOM 0 HB3 GLU A 47 -6.411 -14.007 -13.517 1.00 3.19 H new ATOM 0 HG2 GLU A 47 -6.223 -13.632 -15.936 1.00 3.49 H new ATOM 0 HG3 GLU A 47 -4.473 -13.648 -15.849 1.00 3.49 H new ATOM 726 N GLY A 48 -3.536 -10.711 -14.622 1.00 1.53 N ATOM 727 CA GLY A 48 -2.215 -10.225 -14.985 1.00 1.82 C ATOM 728 C GLY A 48 -1.261 -10.005 -13.804 1.00 1.02 C ATOM 729 O GLY A 48 -1.641 -9.517 -12.742 1.00 1.81 O ATOM 0 H GLY A 48 -4.284 -10.162 -15.044 1.00 1.53 H new ATOM 0 HA2 GLY A 48 -1.759 -10.936 -15.674 1.00 1.82 H new ATOM 0 HA3 GLY A 48 -2.325 -9.284 -15.524 1.00 1.82 H new ATOM 733 N GLY A 49 0.012 -10.315 -14.028 1.00 1.33 N ATOM 734 CA GLY A 49 1.049 -10.328 -13.001 1.00 1.13 C ATOM 735 C GLY A 49 1.519 -8.946 -12.522 1.00 1.21 C ATOM 736 O GLY A 49 2.433 -8.864 -11.700 1.00 1.83 O ATOM 0 H GLY A 49 0.360 -10.571 -14.952 1.00 1.33 H new ATOM 0 HA2 GLY A 49 0.678 -10.885 -12.141 1.00 1.13 H new ATOM 0 HA3 GLY A 49 1.911 -10.873 -13.386 1.00 1.13 H new ATOM 740 N ARG A 50 0.962 -7.840 -13.029 1.00 0.96 N ATOM 741 CA ARG A 50 1.344 -6.506 -12.599 1.00 1.04 C ATOM 742 C ARG A 50 0.199 -5.517 -12.819 1.00 1.04 C ATOM 743 O ARG A 50 0.014 -5.033 -13.934 1.00 1.32 O ATOM 744 CB ARG A 50 2.645 -6.077 -13.295 1.00 1.24 C ATOM 745 CG ARG A 50 3.366 -5.053 -12.413 1.00 1.72 C ATOM 746 CD ARG A 50 4.469 -5.670 -11.535 1.00 2.50 C ATOM 747 NE ARG A 50 4.058 -6.901 -10.825 1.00 3.47 N ATOM 748 CZ ARG A 50 4.834 -7.585 -9.970 1.00 4.48 C ATOM 749 NH1 ARG A 50 5.923 -7.014 -9.442 1.00 4.99 N ATOM 750 NH2 ARG A 50 4.526 -8.839 -9.629 1.00 5.45 N ATOM 0 H ARG A 50 0.237 -7.853 -13.746 1.00 0.96 H new ATOM 0 HA ARG A 50 1.542 -6.515 -11.527 1.00 1.04 H new ATOM 0 HB2 ARG A 50 3.284 -6.943 -13.466 1.00 1.24 H new ATOM 0 HB3 ARG A 50 2.425 -5.645 -14.271 1.00 1.24 H new ATOM 0 HG2 ARG A 50 3.805 -4.284 -13.048 1.00 1.72 H new ATOM 0 HG3 ARG A 50 2.636 -4.559 -11.772 1.00 1.72 H new ATOM 0 HD2 ARG A 50 5.333 -5.895 -12.160 1.00 2.50 H new ATOM 0 HD3 ARG A 50 4.791 -4.931 -10.802 1.00 2.50 H new ATOM 0 HE ARG A 50 3.117 -7.255 -10.998 1.00 3.47 H new ATOM 0 HH11 ARG A 50 6.166 -6.055 -9.689 1.00 4.99 H new ATOM 0 HH12 ARG A 50 6.510 -7.538 -8.793 1.00 4.99 H new ATOM 0 HH21 ARG A 50 3.695 -9.284 -10.019 1.00 5.45 H new ATOM 0 HH22 ARG A 50 5.121 -9.352 -8.978 1.00 5.45 H new ATOM 764 N ALA A 51 -0.569 -5.207 -11.769 1.00 1.17 N ATOM 765 CA ALA A 51 -1.611 -4.199 -11.871 1.00 1.21 C ATOM 766 C ALA A 51 -1.051 -2.782 -11.776 1.00 0.92 C ATOM 767 O ALA A 51 0.065 -2.563 -11.306 1.00 1.08 O ATOM 768 CB ALA A 51 -2.659 -4.424 -10.789 1.00 1.77 C ATOM 0 H ALA A 51 -0.484 -5.640 -10.849 1.00 1.17 H new ATOM 0 HA ALA A 51 -2.072 -4.300 -12.853 1.00 1.21 H new ATOM 0 HB1 ALA A 51 -3.437 -3.665 -10.872 1.00 1.77 H new ATOM 0 HB2 ALA A 51 -3.102 -5.412 -10.912 1.00 1.77 H new ATOM 0 HB3 ALA A 51 -2.189 -4.356 -9.808 1.00 1.77 H new ATOM 774 N THR A 52 -1.865 -1.813 -12.197 1.00 0.99 N ATOM 775 CA THR A 52 -1.558 -0.396 -12.117 1.00 1.03 C ATOM 776 C THR A 52 -1.818 0.096 -10.690 1.00 1.49 C ATOM 777 O THR A 52 -2.957 0.348 -10.321 1.00 2.22 O ATOM 778 CB THR A 52 -2.387 0.384 -13.156 1.00 1.24 C ATOM 779 OG1 THR A 52 -2.216 1.759 -12.897 1.00 1.85 O ATOM 780 CG2 THR A 52 -3.874 -0.027 -13.250 1.00 1.42 C ATOM 0 H THR A 52 -2.777 -2.003 -12.612 1.00 0.99 H new ATOM 0 HA THR A 52 -0.507 -0.226 -12.349 1.00 1.03 H new ATOM 0 HB THR A 52 -2.010 0.131 -14.147 1.00 1.24 H new ATOM 0 HG1 THR A 52 -2.964 2.260 -13.284 1.00 1.85 H new ATOM 0 HG21 THR A 52 -4.372 0.578 -14.008 1.00 1.42 H new ATOM 0 HG22 THR A 52 -3.944 -1.080 -13.523 1.00 1.42 H new ATOM 0 HG23 THR A 52 -4.357 0.130 -12.285 1.00 1.42 H new ATOM 788 N TYR A 53 -0.779 0.189 -9.861 1.00 1.44 N ATOM 789 CA TYR A 53 -0.838 0.658 -8.477 1.00 2.05 C ATOM 790 C TYR A 53 0.166 1.804 -8.321 1.00 1.94 C ATOM 791 O TYR A 53 1.192 1.664 -7.659 1.00 2.27 O ATOM 792 CB TYR A 53 -0.550 -0.504 -7.507 1.00 2.54 C ATOM 793 CG TYR A 53 -1.754 -1.299 -7.030 1.00 2.24 C ATOM 794 CD1 TYR A 53 -2.727 -1.755 -7.939 1.00 2.80 C ATOM 795 CD2 TYR A 53 -1.836 -1.691 -5.679 1.00 2.91 C ATOM 796 CE1 TYR A 53 -3.823 -2.508 -7.490 1.00 3.07 C ATOM 797 CE2 TYR A 53 -2.897 -2.503 -5.241 1.00 3.07 C ATOM 798 CZ TYR A 53 -3.913 -2.880 -6.138 1.00 2.78 C ATOM 799 OH TYR A 53 -4.925 -3.690 -5.718 1.00 3.39 O ATOM 0 H TYR A 53 0.165 -0.071 -10.147 1.00 1.44 H new ATOM 0 HA TYR A 53 -1.835 1.027 -8.234 1.00 2.05 H new ATOM 0 HB2 TYR A 53 0.143 -1.191 -7.993 1.00 2.54 H new ATOM 0 HB3 TYR A 53 -0.038 -0.101 -6.633 1.00 2.54 H new ATOM 0 HD1 TYR A 53 -2.630 -1.524 -8.989 1.00 2.80 H new ATOM 0 HD2 TYR A 53 -1.081 -1.367 -4.978 1.00 2.91 H new ATOM 0 HE1 TYR A 53 -4.597 -2.801 -8.184 1.00 3.07 H new ATOM 0 HE2 TYR A 53 -2.932 -2.838 -4.215 1.00 3.07 H new ATOM 0 HH TYR A 53 -4.838 -3.850 -4.755 1.00 3.39 H new ATOM 809 N ARG A 54 -0.113 2.936 -8.966 1.00 1.66 N ATOM 810 CA ARG A 54 0.709 4.135 -8.874 1.00 1.47 C ATOM 811 C ARG A 54 0.052 5.089 -7.874 1.00 1.24 C ATOM 812 O ARG A 54 -1.155 5.335 -7.958 1.00 1.62 O ATOM 813 CB ARG A 54 0.811 4.785 -10.260 1.00 1.76 C ATOM 814 CG ARG A 54 1.504 3.853 -11.264 1.00 2.10 C ATOM 815 CD ARG A 54 1.632 4.551 -12.621 1.00 2.29 C ATOM 816 NE ARG A 54 2.283 3.690 -13.623 1.00 3.37 N ATOM 817 CZ ARG A 54 2.503 4.046 -14.900 1.00 4.06 C ATOM 818 NH1 ARG A 54 2.028 5.214 -15.349 1.00 4.04 N ATOM 819 NH2 ARG A 54 3.200 3.250 -15.721 1.00 5.38 N ATOM 0 H ARG A 54 -0.926 3.044 -9.573 1.00 1.66 H new ATOM 0 HA ARG A 54 1.716 3.892 -8.534 1.00 1.47 H new ATOM 0 HB2 ARG A 54 -0.187 5.035 -10.621 1.00 1.76 H new ATOM 0 HB3 ARG A 54 1.366 5.720 -10.185 1.00 1.76 H new ATOM 0 HG2 ARG A 54 2.491 3.575 -10.894 1.00 2.10 H new ATOM 0 HG3 ARG A 54 0.933 2.931 -11.372 1.00 2.10 H new ATOM 0 HD2 ARG A 54 0.642 4.837 -12.977 1.00 2.29 H new ATOM 0 HD3 ARG A 54 2.207 5.470 -12.504 1.00 2.29 H new ATOM 0 HE ARG A 54 2.587 2.762 -13.328 1.00 3.37 H new ATOM 0 HH11 ARG A 54 1.504 5.826 -14.723 1.00 4.04 H new ATOM 0 HH12 ARG A 54 2.190 5.492 -16.317 1.00 4.04 H new ATOM 0 HH21 ARG A 54 3.570 2.363 -15.379 1.00 5.38 H new ATOM 0 HH22 ARG A 54 3.361 3.531 -16.688 1.00 5.38 H new ATOM 833 N GLY A 55 0.822 5.623 -6.920 1.00 0.77 N ATOM 834 CA GLY A 55 0.257 6.505 -5.915 1.00 0.63 C ATOM 835 C GLY A 55 1.299 7.139 -5.001 1.00 0.55 C ATOM 836 O GLY A 55 2.503 6.925 -5.160 1.00 0.63 O ATOM 0 H GLY A 55 1.824 5.458 -6.830 1.00 0.77 H new ATOM 0 HA2 GLY A 55 -0.306 7.295 -6.412 1.00 0.63 H new ATOM 0 HA3 GLY A 55 -0.452 5.942 -5.308 1.00 0.63 H new ATOM 840 N THR A 56 0.800 7.935 -4.056 1.00 0.55 N ATOM 841 CA THR A 56 1.535 8.767 -3.120 1.00 0.66 C ATOM 842 C THR A 56 1.142 8.347 -1.703 1.00 0.58 C ATOM 843 O THR A 56 -0.031 8.466 -1.339 1.00 0.69 O ATOM 844 CB THR A 56 1.135 10.229 -3.360 1.00 0.94 C ATOM 845 OG1 THR A 56 -0.275 10.321 -3.387 1.00 2.21 O ATOM 846 CG2 THR A 56 1.687 10.751 -4.689 1.00 1.81 C ATOM 0 H THR A 56 -0.207 8.017 -3.919 1.00 0.55 H new ATOM 0 HA THR A 56 2.611 8.657 -3.252 1.00 0.66 H new ATOM 0 HB THR A 56 1.551 10.832 -2.553 1.00 0.94 H new ATOM 0 HG1 THR A 56 -0.655 9.714 -2.718 1.00 2.21 H new ATOM 0 HG21 THR A 56 1.384 11.789 -4.826 1.00 1.81 H new ATOM 0 HG22 THR A 56 2.775 10.688 -4.681 1.00 1.81 H new ATOM 0 HG23 THR A 56 1.295 10.148 -5.508 1.00 1.81 H new ATOM 854 N ALA A 57 2.119 7.884 -0.923 1.00 0.66 N ATOM 855 CA ALA A 57 1.976 7.519 0.474 1.00 0.69 C ATOM 856 C ALA A 57 2.474 8.693 1.317 1.00 0.69 C ATOM 857 O ALA A 57 3.574 8.642 1.863 1.00 0.90 O ATOM 858 CB ALA A 57 2.789 6.250 0.730 1.00 0.77 C ATOM 0 H ALA A 57 3.069 7.750 -1.268 1.00 0.66 H new ATOM 0 HA ALA A 57 0.939 7.314 0.739 1.00 0.69 H new ATOM 0 HB1 ALA A 57 2.693 5.961 1.777 1.00 0.77 H new ATOM 0 HB2 ALA A 57 2.417 5.445 0.096 1.00 0.77 H new ATOM 0 HB3 ALA A 57 3.838 6.437 0.500 1.00 0.77 H new ATOM 864 N PHE A 58 1.678 9.757 1.405 1.00 0.63 N ATOM 865 CA PHE A 58 2.101 10.995 2.050 1.00 0.66 C ATOM 866 C PHE A 58 2.013 10.830 3.555 1.00 0.65 C ATOM 867 O PHE A 58 1.088 10.213 4.072 1.00 0.70 O ATOM 868 CB PHE A 58 1.323 12.198 1.521 1.00 0.76 C ATOM 869 CG PHE A 58 -0.145 12.230 1.892 1.00 0.84 C ATOM 870 CD1 PHE A 58 -1.118 11.695 1.029 1.00 2.07 C ATOM 871 CD2 PHE A 58 -0.529 12.768 3.133 1.00 1.69 C ATOM 872 CE1 PHE A 58 -2.472 11.701 1.409 1.00 2.25 C ATOM 873 CE2 PHE A 58 -1.877 12.753 3.524 1.00 1.74 C ATOM 874 CZ PHE A 58 -2.853 12.238 2.653 1.00 1.30 C ATOM 0 H PHE A 58 0.728 9.784 1.034 1.00 0.63 H new ATOM 0 HA PHE A 58 3.142 11.201 1.803 1.00 0.66 H new ATOM 0 HB2 PHE A 58 1.795 13.108 1.892 1.00 0.76 H new ATOM 0 HB3 PHE A 58 1.407 12.216 0.434 1.00 0.76 H new ATOM 0 HD1 PHE A 58 -0.826 11.280 0.076 1.00 2.07 H new ATOM 0 HD2 PHE A 58 0.216 13.195 3.788 1.00 1.69 H new ATOM 0 HE1 PHE A 58 -3.220 11.293 0.746 1.00 2.25 H new ATOM 0 HE2 PHE A 58 -2.164 13.136 4.492 1.00 1.74 H new ATOM 0 HZ PHE A 58 -3.895 12.254 2.938 1.00 1.30 H new ATOM 884 N GLY A 59 3.016 11.344 4.256 1.00 0.69 N ATOM 885 CA GLY A 59 3.194 11.060 5.668 1.00 0.87 C ATOM 886 C GLY A 59 2.205 11.868 6.503 1.00 1.05 C ATOM 887 O GLY A 59 1.664 12.863 6.022 1.00 1.12 O ATOM 0 H GLY A 59 3.723 11.965 3.862 1.00 0.69 H new ATOM 0 HA2 GLY A 59 3.050 9.995 5.852 1.00 0.87 H new ATOM 0 HA3 GLY A 59 4.214 11.300 5.968 1.00 0.87 H new ATOM 891 N SER A 60 2.024 11.522 7.783 1.00 1.34 N ATOM 892 CA SER A 60 1.267 12.394 8.682 1.00 1.59 C ATOM 893 C SER A 60 1.922 13.781 8.779 1.00 1.48 C ATOM 894 O SER A 60 1.256 14.755 9.116 1.00 1.83 O ATOM 895 CB SER A 60 1.153 11.750 10.065 1.00 1.88 C ATOM 896 OG SER A 60 0.225 12.448 10.874 1.00 2.12 O ATOM 0 H SER A 60 2.382 10.667 8.209 1.00 1.34 H new ATOM 0 HA SER A 60 0.265 12.526 8.275 1.00 1.59 H new ATOM 0 HB2 SER A 60 0.841 10.711 9.962 1.00 1.88 H new ATOM 0 HB3 SER A 60 2.130 11.743 10.549 1.00 1.88 H new ATOM 0 HG SER A 60 0.168 12.017 11.752 1.00 2.12 H new ATOM 902 N ASP A 61 3.231 13.835 8.511 1.00 1.18 N ATOM 903 CA ASP A 61 4.080 15.019 8.482 1.00 1.20 C ATOM 904 C ASP A 61 4.286 15.523 7.039 1.00 1.09 C ATOM 905 O ASP A 61 5.066 16.439 6.805 1.00 1.18 O ATOM 906 CB ASP A 61 5.414 14.563 9.098 1.00 1.26 C ATOM 907 CG ASP A 61 6.466 15.657 9.217 1.00 1.49 C ATOM 908 OD1 ASP A 61 6.149 16.683 9.856 1.00 2.13 O ATOM 909 OD2 ASP A 61 7.592 15.406 8.730 1.00 2.51 O ATOM 0 H ASP A 61 3.758 12.989 8.294 1.00 1.18 H new ATOM 0 HA ASP A 61 3.636 15.850 9.030 1.00 1.20 H new ATOM 0 HB2 ASP A 61 5.220 14.155 10.090 1.00 1.26 H new ATOM 0 HB3 ASP A 61 5.820 13.752 8.493 1.00 1.26 H new ATOM 914 N ASP A 62 3.660 14.869 6.049 1.00 1.04 N ATOM 915 CA ASP A 62 4.297 14.555 4.789 1.00 1.01 C ATOM 916 C ASP A 62 5.819 14.624 4.729 1.00 0.97 C ATOM 917 O ASP A 62 6.414 15.418 4.003 1.00 1.26 O ATOM 918 CB ASP A 62 3.593 15.065 3.533 1.00 1.38 C ATOM 919 CG ASP A 62 4.055 14.230 2.340 1.00 1.80 C ATOM 920 OD1 ASP A 62 4.543 13.100 2.590 1.00 2.82 O ATOM 921 OD2 ASP A 62 3.843 14.688 1.200 1.00 2.31 O ATOM 0 H ASP A 62 2.694 14.548 6.113 1.00 1.04 H new ATOM 0 HA ASP A 62 4.122 13.479 4.772 1.00 1.01 H new ATOM 0 HB2 ASP A 62 2.512 14.992 3.650 1.00 1.38 H new ATOM 0 HB3 ASP A 62 3.825 16.117 3.370 1.00 1.38 H new ATOM 926 N ALA A 63 6.423 13.653 5.410 1.00 0.84 N ATOM 927 CA ALA A 63 7.706 13.107 5.019 1.00 0.88 C ATOM 928 C ALA A 63 7.441 11.695 4.503 1.00 0.78 C ATOM 929 O ALA A 63 7.998 10.723 5.010 1.00 0.93 O ATOM 930 CB ALA A 63 8.588 13.087 6.261 1.00 1.04 C ATOM 0 H ALA A 63 6.030 13.227 6.249 1.00 0.84 H new ATOM 0 HA ALA A 63 8.205 13.689 4.244 1.00 0.88 H new ATOM 0 HB1 ALA A 63 9.567 12.681 6.006 1.00 1.04 H new ATOM 0 HB2 ALA A 63 8.704 14.102 6.641 1.00 1.04 H new ATOM 0 HB3 ALA A 63 8.125 12.464 7.026 1.00 1.04 H new ATOM 936 N GLY A 64 6.564 11.588 3.506 1.00 0.71 N ATOM 937 CA GLY A 64 6.009 10.333 3.053 1.00 0.65 C ATOM 938 C GLY A 64 6.746 9.759 1.849 1.00 0.63 C ATOM 939 O GLY A 64 7.732 10.311 1.363 1.00 1.02 O ATOM 0 H GLY A 64 6.218 12.394 2.986 1.00 0.71 H new ATOM 0 HA2 GLY A 64 6.040 9.612 3.870 1.00 0.65 H new ATOM 0 HA3 GLY A 64 4.960 10.477 2.795 1.00 0.65 H new ATOM 943 N GLY A 65 6.272 8.595 1.409 1.00 0.61 N ATOM 944 CA GLY A 65 6.789 7.823 0.299 1.00 0.70 C ATOM 945 C GLY A 65 5.866 7.858 -0.908 1.00 0.54 C ATOM 946 O GLY A 65 4.805 8.477 -0.910 1.00 0.71 O ATOM 0 H GLY A 65 5.469 8.146 1.849 1.00 0.61 H new ATOM 0 HA2 GLY A 65 7.768 8.209 0.016 1.00 0.70 H new ATOM 0 HA3 GLY A 65 6.933 6.789 0.614 1.00 0.70 H new ATOM 950 N LYS A 66 6.301 7.172 -1.959 1.00 0.61 N ATOM 951 CA LYS A 66 5.503 6.889 -3.136 1.00 0.65 C ATOM 952 C LYS A 66 5.011 5.445 -3.038 1.00 0.66 C ATOM 953 O LYS A 66 5.429 4.712 -2.144 1.00 1.15 O ATOM 954 CB LYS A 66 6.396 7.065 -4.362 1.00 0.88 C ATOM 955 CG LYS A 66 7.092 8.431 -4.367 1.00 1.08 C ATOM 956 CD LYS A 66 8.054 8.523 -5.553 1.00 1.54 C ATOM 957 CE LYS A 66 9.116 7.411 -5.519 1.00 2.48 C ATOM 958 NZ LYS A 66 10.339 7.780 -6.263 1.00 3.74 N ATOM 0 H LYS A 66 7.245 6.789 -2.013 1.00 0.61 H new ATOM 0 HA LYS A 66 4.646 7.558 -3.213 1.00 0.65 H new ATOM 0 HB2 LYS A 66 7.146 6.275 -4.382 1.00 0.88 H new ATOM 0 HB3 LYS A 66 5.797 6.959 -5.266 1.00 0.88 H new ATOM 0 HG2 LYS A 66 6.349 9.227 -4.428 1.00 1.08 H new ATOM 0 HG3 LYS A 66 7.637 8.574 -3.434 1.00 1.08 H new ATOM 0 HD2 LYS A 66 7.490 8.458 -6.484 1.00 1.54 H new ATOM 0 HD3 LYS A 66 8.546 9.495 -5.546 1.00 1.54 H new ATOM 0 HE2 LYS A 66 9.376 7.191 -4.483 1.00 2.48 H new ATOM 0 HE3 LYS A 66 8.697 6.498 -5.943 1.00 2.48 H new ATOM 0 HZ1 LYS A 66 11.110 7.130 -6.008 1.00 3.74 H new ATOM 0 HZ2 LYS A 66 10.156 7.717 -7.285 1.00 3.74 H new ATOM 0 HZ3 LYS A 66 10.613 8.753 -6.020 1.00 3.74 H new ATOM 972 N LEU A 67 4.170 5.027 -3.983 1.00 0.76 N ATOM 973 CA LEU A 67 3.790 3.637 -4.177 1.00 0.85 C ATOM 974 C LEU A 67 4.314 3.204 -5.549 1.00 0.92 C ATOM 975 O LEU A 67 3.829 3.696 -6.568 1.00 1.17 O ATOM 976 CB LEU A 67 2.260 3.526 -4.083 1.00 1.05 C ATOM 977 CG LEU A 67 1.752 2.076 -4.129 1.00 1.16 C ATOM 978 CD1 LEU A 67 1.907 1.378 -2.774 1.00 1.19 C ATOM 979 CD2 LEU A 67 0.266 2.067 -4.486 1.00 1.33 C ATOM 0 H LEU A 67 3.727 5.662 -4.647 1.00 0.76 H new ATOM 0 HA LEU A 67 4.216 2.984 -3.415 1.00 0.85 H new ATOM 0 HB2 LEU A 67 1.925 3.992 -3.156 1.00 1.05 H new ATOM 0 HB3 LEU A 67 1.811 4.087 -4.902 1.00 1.05 H new ATOM 0 HG LEU A 67 2.345 1.548 -4.876 1.00 1.16 H new ATOM 0 HD11 LEU A 67 1.537 0.355 -2.847 1.00 1.19 H new ATOM 0 HD12 LEU A 67 2.959 1.364 -2.490 1.00 1.19 H new ATOM 0 HD13 LEU A 67 1.335 1.918 -2.019 1.00 1.19 H new ATOM 0 HD21 LEU A 67 -0.094 1.039 -4.519 1.00 1.33 H new ATOM 0 HD22 LEU A 67 -0.292 2.623 -3.733 1.00 1.33 H new ATOM 0 HD23 LEU A 67 0.123 2.533 -5.461 1.00 1.33 H new ATOM 991 N THR A 68 5.301 2.297 -5.590 1.00 0.91 N ATOM 992 CA THR A 68 5.686 1.645 -6.839 1.00 1.01 C ATOM 993 C THR A 68 4.660 0.543 -7.128 1.00 0.96 C ATOM 994 O THR A 68 4.225 -0.138 -6.207 1.00 1.04 O ATOM 995 CB THR A 68 7.098 1.031 -6.747 1.00 1.17 C ATOM 996 OG1 THR A 68 8.032 1.880 -6.092 1.00 2.04 O ATOM 997 CG2 THR A 68 7.611 0.753 -8.164 1.00 2.02 C ATOM 0 H THR A 68 5.841 2.003 -4.776 1.00 0.91 H new ATOM 0 HA THR A 68 5.705 2.384 -7.640 1.00 1.01 H new ATOM 0 HB THR A 68 7.012 0.117 -6.159 1.00 1.17 H new ATOM 0 HG1 THR A 68 8.468 2.458 -6.753 1.00 2.04 H new ATOM 0 HG21 THR A 68 8.609 0.319 -8.111 1.00 2.02 H new ATOM 0 HG22 THR A 68 6.938 0.057 -8.664 1.00 2.02 H new ATOM 0 HG23 THR A 68 7.651 1.686 -8.726 1.00 2.02 H new ATOM 1005 N TYR A 69 4.279 0.340 -8.389 1.00 0.94 N ATOM 1006 CA TYR A 69 3.242 -0.628 -8.711 1.00 0.97 C ATOM 1007 C TYR A 69 3.777 -2.059 -8.721 1.00 0.96 C ATOM 1008 O TYR A 69 4.675 -2.389 -9.496 1.00 0.99 O ATOM 1009 CB TYR A 69 2.538 -0.277 -10.023 1.00 0.94 C ATOM 1010 CG TYR A 69 3.378 -0.141 -11.279 1.00 0.87 C ATOM 1011 CD1 TYR A 69 4.014 1.084 -11.554 1.00 1.77 C ATOM 1012 CD2 TYR A 69 3.254 -1.103 -12.299 1.00 2.17 C ATOM 1013 CE1 TYR A 69 4.459 1.372 -12.854 1.00 1.91 C ATOM 1014 CE2 TYR A 69 3.687 -0.809 -13.604 1.00 2.20 C ATOM 1015 CZ TYR A 69 4.259 0.442 -13.885 1.00 1.21 C ATOM 1016 OH TYR A 69 4.408 0.855 -15.177 1.00 1.89 O ATOM 0 H TYR A 69 4.671 0.829 -9.194 1.00 0.94 H new ATOM 0 HA TYR A 69 2.497 -0.576 -7.917 1.00 0.97 H new ATOM 0 HB2 TYR A 69 1.783 -1.041 -10.210 1.00 0.94 H new ATOM 0 HB3 TYR A 69 2.009 0.664 -9.874 1.00 0.94 H new ATOM 0 HD1 TYR A 69 4.160 1.804 -10.763 1.00 1.77 H new ATOM 0 HD2 TYR A 69 2.825 -2.069 -12.079 1.00 2.17 H new ATOM 0 HE1 TYR A 69 4.955 2.309 -13.060 1.00 1.91 H new ATOM 0 HE2 TYR A 69 3.580 -1.544 -14.388 1.00 2.20 H new ATOM 0 HH TYR A 69 4.239 0.103 -15.782 1.00 1.89 H new ATOM 1026 N THR A 70 3.223 -2.921 -7.863 1.00 0.96 N ATOM 1027 CA THR A 70 3.454 -4.355 -7.899 1.00 0.97 C ATOM 1028 C THR A 70 2.290 -5.081 -7.230 1.00 0.93 C ATOM 1029 O THR A 70 2.121 -4.984 -6.016 1.00 0.82 O ATOM 1030 CB THR A 70 4.820 -4.677 -7.269 1.00 1.23 C ATOM 1031 OG1 THR A 70 5.790 -4.578 -8.303 1.00 1.87 O ATOM 1032 CG2 THR A 70 4.921 -6.067 -6.627 1.00 1.04 C ATOM 0 H THR A 70 2.593 -2.630 -7.115 1.00 0.96 H new ATOM 0 HA THR A 70 3.494 -4.711 -8.928 1.00 0.97 H new ATOM 0 HB THR A 70 4.978 -3.968 -6.456 1.00 1.23 H new ATOM 0 HG1 THR A 70 5.564 -3.828 -8.892 1.00 1.87 H new ATOM 0 HG21 THR A 70 5.919 -6.203 -6.210 1.00 1.04 H new ATOM 0 HG22 THR A 70 4.180 -6.155 -5.832 1.00 1.04 H new ATOM 0 HG23 THR A 70 4.736 -6.831 -7.382 1.00 1.04 H new ATOM 1040 N ILE A 71 1.487 -5.790 -8.034 1.00 1.11 N ATOM 1041 CA ILE A 71 0.451 -6.711 -7.596 1.00 1.08 C ATOM 1042 C ILE A 71 0.245 -7.704 -8.729 1.00 1.05 C ATOM 1043 O ILE A 71 0.181 -7.283 -9.881 1.00 1.22 O ATOM 1044 CB ILE A 71 -0.879 -5.985 -7.290 1.00 1.10 C ATOM 1045 CG1 ILE A 71 -2.091 -6.584 -8.039 1.00 1.45 C ATOM 1046 CG2 ILE A 71 -0.779 -4.469 -7.505 1.00 1.51 C ATOM 1047 CD1 ILE A 71 -3.419 -5.931 -7.699 1.00 1.19 C ATOM 0 H ILE A 71 1.551 -5.729 -9.050 1.00 1.11 H new ATOM 0 HA ILE A 71 0.759 -7.201 -6.672 1.00 1.08 H new ATOM 0 HB ILE A 71 -1.061 -6.154 -6.229 1.00 1.10 H new ATOM 0 HG12 ILE A 71 -1.920 -6.496 -9.112 1.00 1.45 H new ATOM 0 HG13 ILE A 71 -2.154 -7.648 -7.812 1.00 1.45 H new ATOM 0 HG21 ILE A 71 -1.739 -4.005 -7.277 1.00 1.51 H new ATOM 0 HG22 ILE A 71 -0.012 -4.058 -6.848 1.00 1.51 H new ATOM 0 HG23 ILE A 71 -0.515 -4.265 -8.543 1.00 1.51 H new ATOM 0 HD11 ILE A 71 -4.216 -6.410 -8.267 1.00 1.19 H new ATOM 0 HD12 ILE A 71 -3.616 -6.042 -6.633 1.00 1.19 H new ATOM 0 HD13 ILE A 71 -3.379 -4.872 -7.953 1.00 1.19 H new ATOM 1059 N ASP A 72 0.035 -8.975 -8.396 1.00 0.94 N ATOM 1060 CA ASP A 72 -0.400 -9.992 -9.335 1.00 0.92 C ATOM 1061 C ASP A 72 -1.920 -10.121 -9.233 1.00 0.88 C ATOM 1062 O ASP A 72 -2.425 -10.725 -8.283 1.00 1.14 O ATOM 1063 CB ASP A 72 0.333 -11.299 -9.017 1.00 1.05 C ATOM 1064 CG ASP A 72 1.771 -11.257 -9.522 1.00 2.18 C ATOM 1065 OD1 ASP A 72 2.117 -12.131 -10.341 1.00 3.28 O ATOM 1066 OD2 ASP A 72 2.500 -10.328 -9.108 1.00 3.00 O ATOM 0 H ASP A 72 0.166 -9.328 -7.448 1.00 0.94 H new ATOM 0 HA ASP A 72 -0.159 -9.728 -10.365 1.00 0.92 H new ATOM 0 HB2 ASP A 72 0.327 -11.471 -7.941 1.00 1.05 H new ATOM 0 HB3 ASP A 72 -0.193 -12.136 -9.476 1.00 1.05 H new ATOM 1071 N PHE A 73 -2.651 -9.541 -10.198 1.00 0.80 N ATOM 1072 CA PHE A 73 -4.113 -9.442 -10.229 1.00 0.86 C ATOM 1073 C PHE A 73 -4.817 -10.729 -9.801 1.00 0.97 C ATOM 1074 O PHE A 73 -5.897 -10.655 -9.213 1.00 1.17 O ATOM 1075 CB PHE A 73 -4.629 -9.084 -11.625 1.00 0.92 C ATOM 1076 CG PHE A 73 -4.684 -7.617 -11.993 1.00 1.00 C ATOM 1077 CD1 PHE A 73 -3.860 -7.108 -13.014 1.00 2.30 C ATOM 1078 CD2 PHE A 73 -5.745 -6.831 -11.510 1.00 1.75 C ATOM 1079 CE1 PHE A 73 -4.100 -5.832 -13.547 1.00 2.47 C ATOM 1080 CE2 PHE A 73 -5.915 -5.515 -11.962 1.00 1.98 C ATOM 1081 CZ PHE A 73 -5.112 -5.021 -13.004 1.00 1.64 C ATOM 0 H PHE A 73 -2.216 -9.110 -11.014 1.00 0.80 H new ATOM 0 HA PHE A 73 -4.346 -8.652 -9.515 1.00 0.86 H new ATOM 0 HB2 PHE A 73 -4.000 -9.591 -12.357 1.00 0.92 H new ATOM 0 HB3 PHE A 73 -5.633 -9.495 -11.728 1.00 0.92 H new ATOM 0 HD1 PHE A 73 -3.039 -7.702 -13.389 1.00 2.30 H new ATOM 0 HD2 PHE A 73 -6.433 -7.243 -10.787 1.00 1.75 H new ATOM 0 HE1 PHE A 73 -3.507 -5.473 -14.375 1.00 2.47 H new ATOM 0 HE2 PHE A 73 -6.663 -4.881 -11.509 1.00 1.98 H new ATOM 0 HZ PHE A 73 -5.271 -4.023 -13.386 1.00 1.64 H new ATOM 1091 N ALA A 74 -4.224 -11.880 -10.125 1.00 1.09 N ATOM 1092 CA ALA A 74 -4.797 -13.210 -9.946 1.00 1.38 C ATOM 1093 C ALA A 74 -5.261 -13.452 -8.511 1.00 1.30 C ATOM 1094 O ALA A 74 -6.190 -14.219 -8.270 1.00 1.43 O ATOM 1095 CB ALA A 74 -3.734 -14.249 -10.313 1.00 1.62 C ATOM 0 H ALA A 74 -3.291 -11.909 -10.537 1.00 1.09 H new ATOM 0 HA ALA A 74 -5.672 -13.293 -10.591 1.00 1.38 H new ATOM 0 HB1 ALA A 74 -4.145 -15.251 -10.185 1.00 1.62 H new ATOM 0 HB2 ALA A 74 -3.433 -14.110 -11.351 1.00 1.62 H new ATOM 0 HB3 ALA A 74 -2.867 -14.127 -9.664 1.00 1.62 H new ATOM 1101 N ALA A 75 -4.570 -12.821 -7.562 1.00 1.16 N ATOM 1102 CA ALA A 75 -4.752 -13.051 -6.133 1.00 1.13 C ATOM 1103 C ALA A 75 -4.498 -11.765 -5.364 1.00 1.02 C ATOM 1104 O ALA A 75 -5.298 -11.390 -4.511 1.00 1.26 O ATOM 1105 CB ALA A 75 -3.798 -14.152 -5.664 1.00 1.38 C ATOM 0 H ALA A 75 -3.856 -12.123 -7.771 1.00 1.16 H new ATOM 0 HA ALA A 75 -5.777 -13.370 -5.946 1.00 1.13 H new ATOM 0 HB1 ALA A 75 -3.936 -14.322 -4.596 1.00 1.38 H new ATOM 0 HB2 ALA A 75 -4.009 -15.072 -6.208 1.00 1.38 H new ATOM 0 HB3 ALA A 75 -2.769 -13.847 -5.853 1.00 1.38 H new ATOM 1111 N LYS A 76 -3.421 -11.073 -5.744 1.00 1.12 N ATOM 1112 CA LYS A 76 -3.095 -9.712 -5.394 1.00 1.28 C ATOM 1113 C LYS A 76 -2.298 -9.600 -4.119 1.00 1.39 C ATOM 1114 O LYS A 76 -2.778 -9.832 -3.015 1.00 1.97 O ATOM 1115 CB LYS A 76 -4.272 -8.777 -5.335 1.00 1.31 C ATOM 1116 CG LYS A 76 -5.094 -8.828 -6.611 1.00 2.25 C ATOM 1117 CD LYS A 76 -6.082 -7.673 -6.538 1.00 2.35 C ATOM 1118 CE LYS A 76 -6.885 -7.535 -7.834 1.00 3.62 C ATOM 1119 NZ LYS A 76 -7.579 -8.784 -8.219 1.00 5.05 N ATOM 0 H LYS A 76 -2.712 -11.490 -6.347 1.00 1.12 H new ATOM 0 HA LYS A 76 -2.472 -9.390 -6.228 1.00 1.28 H new ATOM 0 HB2 LYS A 76 -4.902 -9.039 -4.485 1.00 1.31 H new ATOM 0 HB3 LYS A 76 -3.920 -7.759 -5.169 1.00 1.31 H new ATOM 0 HG2 LYS A 76 -4.454 -8.735 -7.488 1.00 2.25 H new ATOM 0 HG3 LYS A 76 -5.617 -9.780 -6.697 1.00 2.25 H new ATOM 0 HD2 LYS A 76 -6.764 -7.829 -5.702 1.00 2.35 H new ATOM 0 HD3 LYS A 76 -5.544 -6.745 -6.342 1.00 2.35 H new ATOM 0 HE2 LYS A 76 -7.620 -6.739 -7.717 1.00 3.62 H new ATOM 0 HE3 LYS A 76 -6.215 -7.235 -8.640 1.00 3.62 H new ATOM 0 HZ1 LYS A 76 -8.331 -8.567 -8.904 1.00 5.05 H new ATOM 0 HZ2 LYS A 76 -6.898 -9.441 -8.649 1.00 5.05 H new ATOM 0 HZ3 LYS A 76 -7.997 -9.223 -7.374 1.00 5.05 H new ATOM 1133 N GLN A 77 -1.063 -9.175 -4.338 1.00 1.06 N ATOM 1134 CA GLN A 77 -0.133 -8.832 -3.277 1.00 1.06 C ATOM 1135 C GLN A 77 0.365 -7.420 -3.554 1.00 1.34 C ATOM 1136 O GLN A 77 1.541 -7.180 -3.813 1.00 2.10 O ATOM 1137 CB GLN A 77 0.963 -9.892 -3.109 1.00 1.21 C ATOM 1138 CG GLN A 77 0.486 -11.227 -2.496 1.00 1.89 C ATOM 1139 CD GLN A 77 -0.423 -12.127 -3.341 1.00 1.51 C ATOM 1140 OE1 GLN A 77 -0.570 -11.885 -4.641 1.00 2.32 O flip ATOM 1141 NE2 GLN A 77 -1.011 -13.066 -2.819 1.00 1.28 N flip ATOM 0 H GLN A 77 -0.674 -9.057 -5.274 1.00 1.06 H new ATOM 0 HA GLN A 77 -0.620 -8.832 -2.302 1.00 1.06 H new ATOM 0 HB2 GLN A 77 1.406 -10.094 -4.084 1.00 1.21 H new ATOM 0 HB3 GLN A 77 1.752 -9.481 -2.480 1.00 1.21 H new ATOM 0 HG2 GLN A 77 1.370 -11.805 -2.227 1.00 1.89 H new ATOM 0 HG3 GLN A 77 -0.040 -10.999 -1.569 1.00 1.89 H new ATOM 0 HE21 GLN A 77 -0.896 -13.249 -1.822 1.00 1.28 H new ATOM 0 HE22 GLN A 77 -1.615 -13.665 -3.381 1.00 1.28 H new ATOM 1150 N GLY A 78 -0.599 -6.500 -3.546 1.00 1.18 N ATOM 1151 CA GLY A 78 -0.433 -5.096 -3.866 1.00 1.41 C ATOM 1152 C GLY A 78 0.474 -4.412 -2.864 1.00 1.18 C ATOM 1153 O GLY A 78 0.102 -4.254 -1.702 1.00 1.32 O ATOM 0 H GLY A 78 -1.562 -6.733 -3.303 1.00 1.18 H new ATOM 0 HA2 GLY A 78 -0.015 -4.995 -4.868 1.00 1.41 H new ATOM 0 HA3 GLY A 78 -1.406 -4.604 -3.875 1.00 1.41 H new ATOM 1157 N ASN A 79 1.665 -4.012 -3.303 1.00 1.07 N ATOM 1158 CA ASN A 79 2.661 -3.399 -2.444 1.00 1.05 C ATOM 1159 C ASN A 79 3.493 -2.438 -3.280 1.00 1.10 C ATOM 1160 O ASN A 79 3.697 -2.677 -4.470 1.00 1.61 O ATOM 1161 CB ASN A 79 3.549 -4.495 -1.839 1.00 1.28 C ATOM 1162 CG ASN A 79 3.363 -4.661 -0.342 1.00 1.85 C ATOM 1163 OD1 ASN A 79 4.335 -4.646 0.397 1.00 3.26 O ATOM 1164 ND2 ASN A 79 2.134 -4.845 0.122 1.00 1.35 N ATOM 0 H ASN A 79 1.963 -4.107 -4.274 1.00 1.07 H new ATOM 0 HA ASN A 79 2.184 -2.850 -1.632 1.00 1.05 H new ATOM 0 HB2 ASN A 79 3.332 -5.442 -2.332 1.00 1.28 H new ATOM 0 HB3 ASN A 79 4.594 -4.261 -2.044 1.00 1.28 H new ATOM 0 HD21 ASN A 79 1.981 -4.979 1.122 1.00 1.35 H new ATOM 0 HD22 ASN A 79 1.342 -4.852 -0.521 1.00 1.35 H new ATOM 1171 N GLY A 80 3.964 -1.360 -2.652 1.00 0.87 N ATOM 1172 CA GLY A 80 4.813 -0.375 -3.288 1.00 0.88 C ATOM 1173 C GLY A 80 5.636 0.339 -2.228 1.00 0.86 C ATOM 1174 O GLY A 80 5.096 0.842 -1.250 1.00 1.01 O ATOM 0 H GLY A 80 3.759 -1.152 -1.675 1.00 0.87 H new ATOM 0 HA2 GLY A 80 5.470 -0.858 -4.011 1.00 0.88 H new ATOM 0 HA3 GLY A 80 4.206 0.344 -3.839 1.00 0.88 H new ATOM 1178 N LYS A 81 6.947 0.368 -2.425 1.00 0.86 N ATOM 1179 CA LYS A 81 7.900 0.730 -1.387 1.00 0.80 C ATOM 1180 C LYS A 81 7.938 2.249 -1.174 1.00 0.84 C ATOM 1181 O LYS A 81 7.982 3.026 -2.132 1.00 1.06 O ATOM 1182 CB LYS A 81 9.284 0.213 -1.803 1.00 1.03 C ATOM 1183 CG LYS A 81 9.789 0.879 -3.090 1.00 1.94 C ATOM 1184 CD LYS A 81 11.066 0.210 -3.598 1.00 2.45 C ATOM 1185 CE LYS A 81 11.581 0.941 -4.845 1.00 3.82 C ATOM 1186 NZ LYS A 81 10.624 0.891 -5.975 1.00 5.12 N ATOM 0 H LYS A 81 7.382 0.139 -3.319 1.00 0.86 H new ATOM 0 HA LYS A 81 7.597 0.278 -0.442 1.00 0.80 H new ATOM 0 HB2 LYS A 81 9.995 0.396 -0.998 1.00 1.03 H new ATOM 0 HB3 LYS A 81 9.238 -0.866 -1.948 1.00 1.03 H new ATOM 0 HG2 LYS A 81 9.017 0.824 -3.858 1.00 1.94 H new ATOM 0 HG3 LYS A 81 9.979 1.936 -2.904 1.00 1.94 H new ATOM 0 HD2 LYS A 81 11.828 0.223 -2.818 1.00 2.45 H new ATOM 0 HD3 LYS A 81 10.869 -0.836 -3.835 1.00 2.45 H new ATOM 0 HE2 LYS A 81 11.784 1.982 -4.593 1.00 3.82 H new ATOM 0 HE3 LYS A 81 12.527 0.498 -5.156 1.00 3.82 H new ATOM 0 HZ1 LYS A 81 11.068 1.294 -6.824 1.00 5.12 H new ATOM 0 HZ2 LYS A 81 10.357 -0.097 -6.160 1.00 5.12 H new ATOM 0 HZ3 LYS A 81 9.774 1.440 -5.735 1.00 5.12 H new ATOM 1200 N ILE A 82 7.983 2.670 0.088 1.00 0.83 N ATOM 1201 CA ILE A 82 8.182 4.055 0.492 1.00 0.98 C ATOM 1202 C ILE A 82 9.697 4.278 0.556 1.00 0.92 C ATOM 1203 O ILE A 82 10.289 4.340 1.633 1.00 1.22 O ATOM 1204 CB ILE A 82 7.460 4.287 1.839 1.00 1.09 C ATOM 1205 CG1 ILE A 82 5.933 4.186 1.655 1.00 1.41 C ATOM 1206 CG2 ILE A 82 7.888 5.589 2.549 1.00 1.75 C ATOM 1207 CD1 ILE A 82 5.170 4.139 2.985 1.00 1.83 C ATOM 0 H ILE A 82 7.879 2.035 0.880 1.00 0.83 H new ATOM 0 HA ILE A 82 7.759 4.776 -0.207 1.00 0.98 H new ATOM 0 HB ILE A 82 7.773 3.490 2.513 1.00 1.09 H new ATOM 0 HG12 ILE A 82 5.586 5.040 1.073 1.00 1.41 H new ATOM 0 HG13 ILE A 82 5.701 3.291 1.078 1.00 1.41 H new ATOM 0 HG21 ILE A 82 7.342 5.688 3.487 1.00 1.75 H new ATOM 0 HG22 ILE A 82 8.958 5.557 2.753 1.00 1.75 H new ATOM 0 HG23 ILE A 82 7.666 6.443 1.908 1.00 1.75 H new ATOM 0 HD11 ILE A 82 4.100 4.068 2.788 1.00 1.83 H new ATOM 0 HD12 ILE A 82 5.492 3.270 3.559 1.00 1.83 H new ATOM 0 HD13 ILE A 82 5.375 5.046 3.554 1.00 1.83 H new ATOM 1219 N GLU A 83 10.316 4.393 -0.624 1.00 0.80 N ATOM 1220 CA GLU A 83 11.746 4.568 -0.809 1.00 0.83 C ATOM 1221 C GLU A 83 12.008 5.773 -1.722 1.00 1.03 C ATOM 1222 O GLU A 83 12.299 5.624 -2.909 1.00 1.79 O ATOM 1223 CB GLU A 83 12.306 3.274 -1.405 1.00 1.14 C ATOM 1224 CG GLU A 83 13.831 3.289 -1.339 1.00 1.18 C ATOM 1225 CD GLU A 83 14.444 2.109 -2.087 1.00 1.54 C ATOM 1226 OE1 GLU A 83 13.896 1.771 -3.161 1.00 1.91 O ATOM 1227 OE2 GLU A 83 15.463 1.589 -1.589 1.00 2.49 O ATOM 0 H GLU A 83 9.806 4.365 -1.507 1.00 0.80 H new ATOM 0 HA GLU A 83 12.242 4.768 0.141 1.00 0.83 H new ATOM 0 HB2 GLU A 83 11.918 2.414 -0.859 1.00 1.14 H new ATOM 0 HB3 GLU A 83 11.979 3.168 -2.439 1.00 1.14 H new ATOM 0 HG2 GLU A 83 14.204 4.221 -1.764 1.00 1.18 H new ATOM 0 HG3 GLU A 83 14.150 3.263 -0.297 1.00 1.18 H new ATOM 1234 N HIS A 84 11.832 6.986 -1.197 1.00 0.75 N ATOM 1235 CA HIS A 84 12.197 8.216 -1.895 1.00 0.86 C ATOM 1236 C HIS A 84 12.333 9.341 -0.875 1.00 1.17 C ATOM 1237 O HIS A 84 11.466 10.206 -0.785 1.00 2.13 O ATOM 1238 CB HIS A 84 11.154 8.487 -2.978 1.00 1.43 C ATOM 1239 CG HIS A 84 11.198 9.847 -3.617 1.00 1.73 C ATOM 1240 ND1 HIS A 84 12.266 10.425 -4.267 1.00 2.72 N ATOM 1241 CD2 HIS A 84 10.139 10.709 -3.690 1.00 2.30 C ATOM 1242 CE1 HIS A 84 11.842 11.610 -4.743 1.00 3.73 C ATOM 1243 NE2 HIS A 84 10.549 11.812 -4.442 1.00 3.55 N ATOM 0 H HIS A 84 11.431 7.142 -0.272 1.00 0.75 H new ATOM 0 HA HIS A 84 13.161 8.132 -2.396 1.00 0.86 H new ATOM 0 HB2 HIS A 84 11.270 7.737 -3.760 1.00 1.43 H new ATOM 0 HB3 HIS A 84 10.164 8.344 -2.544 1.00 1.43 H new ATOM 0 HD2 HIS A 84 9.165 10.564 -3.247 1.00 2.30 H new ATOM 0 HE1 HIS A 84 12.459 12.305 -5.293 1.00 3.73 H new ATOM 0 HE2 HIS A 84 9.978 12.614 -4.710 1.00 3.55 H new ATOM 1251 N LEU A 85 13.364 9.270 -0.035 1.00 1.14 N ATOM 1252 CA LEU A 85 13.388 10.000 1.223 1.00 1.04 C ATOM 1253 C LEU A 85 14.762 10.597 1.470 1.00 1.36 C ATOM 1254 O LEU A 85 15.766 10.140 0.931 1.00 1.81 O ATOM 1255 CB LEU A 85 13.009 9.035 2.350 1.00 1.01 C ATOM 1256 CG LEU A 85 11.523 8.691 2.332 1.00 0.98 C ATOM 1257 CD1 LEU A 85 11.320 7.269 2.843 1.00 1.61 C ATOM 1258 CD2 LEU A 85 10.678 9.703 3.109 1.00 1.26 C ATOM 0 H LEU A 85 14.198 8.709 -0.208 1.00 1.14 H new ATOM 0 HA LEU A 85 12.674 10.823 1.185 1.00 1.04 H new ATOM 0 HB2 LEU A 85 13.594 8.120 2.256 1.00 1.01 H new ATOM 0 HB3 LEU A 85 13.266 9.481 3.311 1.00 1.01 H new ATOM 0 HG LEU A 85 11.174 8.746 1.301 1.00 0.98 H new ATOM 0 HD11 LEU A 85 10.258 7.026 2.829 1.00 1.61 H new ATOM 0 HD12 LEU A 85 11.860 6.572 2.203 1.00 1.61 H new ATOM 0 HD13 LEU A 85 11.697 7.192 3.863 1.00 1.61 H new ATOM 0 HD21 LEU A 85 9.629 9.411 3.064 1.00 1.26 H new ATOM 0 HD22 LEU A 85 11.004 9.727 4.149 1.00 1.26 H new ATOM 0 HD23 LEU A 85 10.799 10.692 2.668 1.00 1.26 H new ATOM 1270 N LYS A 86 14.777 11.627 2.316 1.00 1.34 N ATOM 1271 CA LYS A 86 15.967 12.379 2.671 1.00 1.63 C ATOM 1272 C LYS A 86 16.847 11.640 3.684 1.00 1.58 C ATOM 1273 O LYS A 86 17.993 12.032 3.889 1.00 1.92 O ATOM 1274 CB LYS A 86 15.574 13.786 3.142 1.00 1.98 C ATOM 1275 CG LYS A 86 14.353 13.893 4.072 1.00 2.13 C ATOM 1276 CD LYS A 86 14.482 13.099 5.377 1.00 2.00 C ATOM 1277 CE LYS A 86 13.618 13.646 6.526 1.00 2.54 C ATOM 1278 NZ LYS A 86 12.166 13.600 6.247 1.00 3.65 N ATOM 0 H LYS A 86 13.936 11.966 2.783 1.00 1.34 H new ATOM 0 HA LYS A 86 16.585 12.482 1.779 1.00 1.63 H new ATOM 0 HB2 LYS A 86 16.430 14.224 3.655 1.00 1.98 H new ATOM 0 HB3 LYS A 86 15.384 14.398 2.260 1.00 1.98 H new ATOM 0 HG2 LYS A 86 14.186 14.943 4.314 1.00 2.13 H new ATOM 0 HG3 LYS A 86 13.470 13.546 3.535 1.00 2.13 H new ATOM 0 HD2 LYS A 86 14.205 12.062 5.189 1.00 2.00 H new ATOM 0 HD3 LYS A 86 15.526 13.098 5.689 1.00 2.00 H new ATOM 0 HE2 LYS A 86 13.824 13.073 7.430 1.00 2.54 H new ATOM 0 HE3 LYS A 86 13.908 14.677 6.729 1.00 2.54 H new ATOM 0 HZ1 LYS A 86 11.644 13.983 7.061 1.00 3.65 H new ATOM 0 HZ2 LYS A 86 11.957 14.170 5.402 1.00 3.65 H new ATOM 0 HZ3 LYS A 86 11.875 12.615 6.081 1.00 3.65 H new ATOM 1292 N SER A 87 16.314 10.598 4.330 1.00 1.30 N ATOM 1293 CA SER A 87 17.037 9.814 5.326 1.00 1.33 C ATOM 1294 C SER A 87 16.946 8.315 5.025 1.00 1.20 C ATOM 1295 O SER A 87 15.978 7.878 4.397 1.00 1.23 O ATOM 1296 CB SER A 87 16.440 10.091 6.712 1.00 1.48 C ATOM 1297 OG SER A 87 16.528 11.467 7.019 1.00 1.87 O ATOM 0 H SER A 87 15.359 10.275 4.172 1.00 1.30 H new ATOM 0 HA SER A 87 18.087 10.104 5.299 1.00 1.33 H new ATOM 0 HB2 SER A 87 15.398 9.772 6.737 1.00 1.48 H new ATOM 0 HB3 SER A 87 16.969 9.509 7.466 1.00 1.48 H new ATOM 0 HG SER A 87 16.142 11.630 7.905 1.00 1.87 H new ATOM 1303 N PRO A 88 17.911 7.521 5.522 1.00 1.38 N ATOM 1304 CA PRO A 88 17.719 6.101 5.767 1.00 1.73 C ATOM 1305 C PRO A 88 16.770 5.937 6.961 1.00 2.31 C ATOM 1306 O PRO A 88 16.278 6.932 7.495 1.00 4.12 O ATOM 1307 CB PRO A 88 19.119 5.561 6.065 1.00 2.08 C ATOM 1308 CG PRO A 88 19.779 6.739 6.779 1.00 2.16 C ATOM 1309 CD PRO A 88 19.176 7.962 6.093 1.00 1.72 C ATOM 0 HA PRO A 88 17.273 5.563 4.930 1.00 1.73 H new ATOM 0 HB2 PRO A 88 19.086 4.671 6.694 1.00 2.08 H new ATOM 0 HB3 PRO A 88 19.652 5.288 5.154 1.00 2.08 H new ATOM 0 HG2 PRO A 88 19.563 6.732 7.847 1.00 2.16 H new ATOM 0 HG3 PRO A 88 20.864 6.715 6.673 1.00 2.16 H new ATOM 0 HD2 PRO A 88 19.021 8.772 6.806 1.00 1.72 H new ATOM 0 HD3 PRO A 88 19.842 8.342 5.318 1.00 1.72 H new ATOM 1317 N GLU A 89 16.482 4.693 7.359 1.00 1.29 N ATOM 1318 CA GLU A 89 15.495 4.311 8.364 1.00 1.50 C ATOM 1319 C GLU A 89 14.082 4.522 7.825 1.00 1.28 C ATOM 1320 O GLU A 89 13.296 3.587 7.710 1.00 1.46 O ATOM 1321 CB GLU A 89 15.663 5.010 9.714 1.00 1.82 C ATOM 1322 CG GLU A 89 17.053 4.947 10.352 1.00 2.02 C ATOM 1323 CD GLU A 89 17.009 5.453 11.794 1.00 3.20 C ATOM 1324 OE1 GLU A 89 18.091 5.825 12.293 1.00 3.68 O ATOM 1325 OE2 GLU A 89 15.896 5.459 12.371 1.00 4.53 O ATOM 0 H GLU A 89 16.960 3.884 6.964 1.00 1.29 H new ATOM 0 HA GLU A 89 15.667 3.253 8.560 1.00 1.50 H new ATOM 0 HB2 GLU A 89 15.393 6.059 9.590 1.00 1.82 H new ATOM 0 HB3 GLU A 89 14.948 4.577 10.413 1.00 1.82 H new ATOM 0 HG2 GLU A 89 17.422 3.921 10.332 1.00 2.02 H new ATOM 0 HG3 GLU A 89 17.753 5.548 9.771 1.00 2.02 H new ATOM 1332 N LEU A 90 13.792 5.772 7.465 1.00 1.30 N ATOM 1333 CA LEU A 90 12.559 6.230 6.856 1.00 1.11 C ATOM 1334 C LEU A 90 12.156 5.373 5.655 1.00 0.93 C ATOM 1335 O LEU A 90 10.972 5.302 5.338 1.00 0.98 O ATOM 1336 CB LEU A 90 12.720 7.706 6.447 1.00 1.00 C ATOM 1337 CG LEU A 90 12.576 8.739 7.578 1.00 1.33 C ATOM 1338 CD1 LEU A 90 11.130 8.769 8.071 1.00 1.48 C ATOM 1339 CD2 LEU A 90 13.523 8.532 8.765 1.00 2.13 C ATOM 0 H LEU A 90 14.457 6.533 7.602 1.00 1.30 H new ATOM 0 HA LEU A 90 11.757 6.135 7.588 1.00 1.11 H new ATOM 0 HB2 LEU A 90 13.702 7.831 5.991 1.00 1.00 H new ATOM 0 HB3 LEU A 90 11.980 7.932 5.679 1.00 1.00 H new ATOM 0 HG LEU A 90 12.861 9.695 7.138 1.00 1.33 H new ATOM 0 HD11 LEU A 90 11.034 9.502 8.872 1.00 1.48 H new ATOM 0 HD12 LEU A 90 10.470 9.042 7.247 1.00 1.48 H new ATOM 0 HD13 LEU A 90 10.853 7.784 8.446 1.00 1.48 H new ATOM 0 HD21 LEU A 90 13.347 9.308 9.510 1.00 2.13 H new ATOM 0 HD22 LEU A 90 13.341 7.554 9.210 1.00 2.13 H new ATOM 0 HD23 LEU A 90 14.556 8.587 8.421 1.00 2.13 H new ATOM 1351 N ASN A 91 13.125 4.763 4.962 1.00 0.89 N ATOM 1352 CA ASN A 91 12.880 3.900 3.814 1.00 0.91 C ATOM 1353 C ASN A 91 12.022 2.725 4.282 1.00 0.98 C ATOM 1354 O ASN A 91 12.520 1.819 4.955 1.00 1.48 O ATOM 1355 CB ASN A 91 14.203 3.434 3.175 1.00 1.24 C ATOM 1356 CG ASN A 91 15.245 4.540 2.977 1.00 1.69 C ATOM 1357 OD1 ASN A 91 16.439 4.268 2.951 1.00 3.24 O ATOM 1358 ND2 ASN A 91 14.824 5.802 2.919 1.00 1.02 N ATOM 0 H ASN A 91 14.114 4.860 5.191 1.00 0.89 H new ATOM 0 HA ASN A 91 12.348 4.448 3.036 1.00 0.91 H new ATOM 0 HB2 ASN A 91 14.637 2.653 3.800 1.00 1.24 H new ATOM 0 HB3 ASN A 91 13.984 2.983 2.207 1.00 1.24 H new ATOM 0 HD21 ASN A 91 15.500 6.563 2.852 1.00 1.02 H new ATOM 0 HD22 ASN A 91 13.825 6.008 2.942 1.00 1.02 H new ATOM 1365 N VAL A 92 10.720 2.777 3.988 1.00 0.67 N ATOM 1366 CA VAL A 92 9.753 1.805 4.468 1.00 0.67 C ATOM 1367 C VAL A 92 9.377 0.886 3.311 1.00 0.66 C ATOM 1368 O VAL A 92 9.034 1.365 2.232 1.00 0.73 O ATOM 1369 CB VAL A 92 8.538 2.506 5.115 1.00 0.69 C ATOM 1370 CG1 VAL A 92 7.282 1.621 5.168 1.00 0.96 C ATOM 1371 CG2 VAL A 92 8.850 2.959 6.544 1.00 1.05 C ATOM 0 H VAL A 92 10.310 3.506 3.403 1.00 0.67 H new ATOM 0 HA VAL A 92 10.186 1.192 5.258 1.00 0.67 H new ATOM 0 HB VAL A 92 8.335 3.364 4.473 1.00 0.69 H new ATOM 0 HG11 VAL A 92 6.467 2.174 5.634 1.00 0.96 H new ATOM 0 HG12 VAL A 92 6.995 1.335 4.156 1.00 0.96 H new ATOM 0 HG13 VAL A 92 7.493 0.725 5.752 1.00 0.96 H new ATOM 0 HG21 VAL A 92 7.974 3.448 6.970 1.00 1.05 H new ATOM 0 HG22 VAL A 92 9.113 2.093 7.151 1.00 1.05 H new ATOM 0 HG23 VAL A 92 9.685 3.659 6.530 1.00 1.05 H new ATOM 1381 N ASP A 93 9.386 -0.424 3.553 1.00 0.70 N ATOM 1382 CA ASP A 93 8.872 -1.416 2.623 1.00 0.66 C ATOM 1383 C ASP A 93 7.820 -2.212 3.379 1.00 0.66 C ATOM 1384 O ASP A 93 7.981 -2.477 4.573 1.00 0.81 O ATOM 1385 CB ASP A 93 9.993 -2.335 2.122 1.00 0.62 C ATOM 1386 CG ASP A 93 10.646 -1.784 0.864 1.00 1.47 C ATOM 1387 OD1 ASP A 93 10.302 -2.305 -0.219 1.00 1.84 O ATOM 1388 OD2 ASP A 93 11.456 -0.844 1.001 1.00 3.06 O ATOM 0 H ASP A 93 9.757 -0.827 4.414 1.00 0.70 H new ATOM 0 HA ASP A 93 8.445 -0.937 1.742 1.00 0.66 H new ATOM 0 HB2 ASP A 93 10.745 -2.452 2.902 1.00 0.62 H new ATOM 0 HB3 ASP A 93 9.588 -3.326 1.919 1.00 0.62 H new ATOM 1393 N LEU A 94 6.720 -2.545 2.702 1.00 0.82 N ATOM 1394 CA LEU A 94 5.602 -3.224 3.344 1.00 1.01 C ATOM 1395 C LEU A 94 5.636 -4.729 3.073 1.00 1.05 C ATOM 1396 O LEU A 94 6.431 -5.210 2.266 1.00 1.35 O ATOM 1397 CB LEU A 94 4.240 -2.572 3.029 1.00 1.42 C ATOM 1398 CG LEU A 94 4.293 -1.115 2.529 1.00 0.96 C ATOM 1399 CD1 LEU A 94 4.132 -1.091 1.008 1.00 1.46 C ATOM 1400 CD2 LEU A 94 3.168 -0.277 3.140 1.00 1.81 C ATOM 0 H LEU A 94 6.583 -2.354 1.709 1.00 0.82 H new ATOM 0 HA LEU A 94 5.724 -3.099 4.420 1.00 1.01 H new ATOM 0 HB2 LEU A 94 3.735 -3.176 2.276 1.00 1.42 H new ATOM 0 HB3 LEU A 94 3.626 -2.605 3.929 1.00 1.42 H new ATOM 0 HG LEU A 94 5.254 -0.695 2.826 1.00 0.96 H new ATOM 0 HD11 LEU A 94 4.169 -0.061 0.654 1.00 1.46 H new ATOM 0 HD12 LEU A 94 4.938 -1.662 0.548 1.00 1.46 H new ATOM 0 HD13 LEU A 94 3.173 -1.533 0.737 1.00 1.46 H new ATOM 0 HD21 LEU A 94 3.233 0.745 2.768 1.00 1.81 H new ATOM 0 HD22 LEU A 94 2.204 -0.704 2.862 1.00 1.81 H new ATOM 0 HD23 LEU A 94 3.265 -0.275 4.226 1.00 1.81 H new ATOM 1412 N ALA A 95 4.778 -5.477 3.769 1.00 1.02 N ATOM 1413 CA ALA A 95 4.608 -6.898 3.534 1.00 1.12 C ATOM 1414 C ALA A 95 3.711 -7.103 2.312 1.00 0.82 C ATOM 1415 O ALA A 95 2.630 -6.512 2.228 1.00 0.86 O ATOM 1416 CB ALA A 95 3.992 -7.554 4.771 1.00 1.51 C ATOM 0 H ALA A 95 4.184 -5.107 4.511 1.00 1.02 H new ATOM 0 HA ALA A 95 5.576 -7.361 3.343 1.00 1.12 H new ATOM 0 HB1 ALA A 95 3.865 -8.622 4.592 1.00 1.51 H new ATOM 0 HB2 ALA A 95 4.650 -7.405 5.627 1.00 1.51 H new ATOM 0 HB3 ALA A 95 3.021 -7.103 4.977 1.00 1.51 H new ATOM 1422 N ALA A 96 4.129 -7.982 1.395 1.00 0.79 N ATOM 1423 CA ALA A 96 3.397 -8.314 0.178 1.00 0.91 C ATOM 1424 C ALA A 96 2.254 -9.265 0.537 1.00 0.97 C ATOM 1425 O ALA A 96 2.281 -10.459 0.251 1.00 1.95 O ATOM 1426 CB ALA A 96 4.360 -8.917 -0.841 1.00 1.35 C ATOM 0 H ALA A 96 5.008 -8.492 1.485 1.00 0.79 H new ATOM 0 HA ALA A 96 2.962 -7.423 -0.275 1.00 0.91 H new ATOM 0 HB1 ALA A 96 3.816 -9.166 -1.752 1.00 1.35 H new ATOM 0 HB2 ALA A 96 5.144 -8.196 -1.072 1.00 1.35 H new ATOM 0 HB3 ALA A 96 4.809 -9.820 -0.427 1.00 1.35 H new ATOM 1432 N ALA A 97 1.273 -8.688 1.220 1.00 0.70 N ATOM 1433 CA ALA A 97 0.185 -9.366 1.906 1.00 0.66 C ATOM 1434 C ALA A 97 -0.993 -9.605 0.968 1.00 0.70 C ATOM 1435 O ALA A 97 -1.099 -8.964 -0.074 1.00 1.04 O ATOM 1436 CB ALA A 97 -0.246 -8.509 3.096 1.00 0.79 C ATOM 0 H ALA A 97 1.214 -7.674 1.314 1.00 0.70 H new ATOM 0 HA ALA A 97 0.528 -10.341 2.252 1.00 0.66 H new ATOM 0 HB1 ALA A 97 -1.062 -9.003 3.623 1.00 0.79 H new ATOM 0 HB2 ALA A 97 0.597 -8.378 3.774 1.00 0.79 H new ATOM 0 HB3 ALA A 97 -0.580 -7.534 2.740 1.00 0.79 H new ATOM 1442 N ASP A 98 -1.892 -10.500 1.367 1.00 0.72 N ATOM 1443 CA ASP A 98 -3.057 -10.898 0.596 1.00 0.82 C ATOM 1444 C ASP A 98 -4.153 -9.838 0.697 1.00 0.94 C ATOM 1445 O ASP A 98 -4.054 -8.896 1.485 1.00 1.46 O ATOM 1446 CB ASP A 98 -3.607 -12.182 1.229 1.00 1.32 C ATOM 1447 CG ASP A 98 -4.126 -11.858 2.625 1.00 2.97 C ATOM 1448 OD1 ASP A 98 -3.262 -11.754 3.523 1.00 3.80 O ATOM 1449 OD2 ASP A 98 -5.346 -11.607 2.738 1.00 4.13 O ATOM 0 H ASP A 98 -1.824 -10.981 2.264 1.00 0.72 H new ATOM 0 HA ASP A 98 -2.774 -11.033 -0.448 1.00 0.82 H new ATOM 0 HB2 ASP A 98 -4.408 -12.593 0.614 1.00 1.32 H new ATOM 0 HB3 ASP A 98 -2.826 -12.941 1.283 1.00 1.32 H new ATOM 1454 N ILE A 99 -5.232 -10.052 -0.058 1.00 0.80 N ATOM 1455 CA ILE A 99 -6.513 -9.422 0.125 1.00 0.87 C ATOM 1456 C ILE A 99 -7.593 -10.502 0.277 1.00 0.99 C ATOM 1457 O ILE A 99 -8.369 -10.780 -0.636 1.00 1.40 O ATOM 1458 CB ILE A 99 -6.753 -8.417 -1.004 1.00 0.92 C ATOM 1459 CG1 ILE A 99 -8.196 -7.940 -0.963 1.00 0.98 C ATOM 1460 CG2 ILE A 99 -6.359 -8.923 -2.392 1.00 1.18 C ATOM 1461 CD1 ILE A 99 -8.262 -6.514 -1.503 1.00 1.36 C ATOM 0 H ILE A 99 -5.222 -10.701 -0.845 1.00 0.80 H new ATOM 0 HA ILE A 99 -6.549 -8.839 1.046 1.00 0.87 H new ATOM 0 HB ILE A 99 -6.085 -7.575 -0.825 1.00 0.92 H new ATOM 0 HG12 ILE A 99 -8.827 -8.598 -1.560 1.00 0.98 H new ATOM 0 HG13 ILE A 99 -8.575 -7.974 0.058 1.00 0.98 H new ATOM 0 HG21 ILE A 99 -6.562 -8.149 -3.132 1.00 1.18 H new ATOM 0 HG22 ILE A 99 -5.296 -9.166 -2.403 1.00 1.18 H new ATOM 0 HG23 ILE A 99 -6.938 -9.815 -2.632 1.00 1.18 H new ATOM 0 HD11 ILE A 99 -9.294 -6.163 -1.478 1.00 1.36 H new ATOM 0 HD12 ILE A 99 -7.642 -5.863 -0.887 1.00 1.36 H new ATOM 0 HD13 ILE A 99 -7.898 -6.497 -2.530 1.00 1.36 H new ATOM 1473 N LYS A 100 -7.655 -11.089 1.470 1.00 1.32 N ATOM 1474 CA LYS A 100 -8.799 -11.843 1.958 1.00 1.62 C ATOM 1475 C LYS A 100 -10.092 -11.042 1.738 1.00 1.60 C ATOM 1476 O LYS A 100 -10.042 -9.815 1.783 1.00 2.85 O ATOM 1477 CB LYS A 100 -8.604 -12.222 3.440 1.00 2.61 C ATOM 1478 CG LYS A 100 -8.650 -11.075 4.475 1.00 4.36 C ATOM 1479 CD LYS A 100 -7.280 -10.544 4.939 1.00 5.30 C ATOM 1480 CE LYS A 100 -6.801 -9.276 4.217 1.00 7.02 C ATOM 1481 NZ LYS A 100 -7.575 -8.075 4.584 1.00 8.33 N ATOM 0 H LYS A 100 -6.887 -11.050 2.140 1.00 1.32 H new ATOM 0 HA LYS A 100 -8.883 -12.772 1.394 1.00 1.62 H new ATOM 0 HB2 LYS A 100 -9.372 -12.948 3.707 1.00 2.61 H new ATOM 0 HB3 LYS A 100 -7.642 -12.725 3.536 1.00 2.61 H new ATOM 0 HG2 LYS A 100 -9.215 -10.247 4.048 1.00 4.36 H new ATOM 0 HG3 LYS A 100 -9.201 -11.420 5.350 1.00 4.36 H new ATOM 0 HD2 LYS A 100 -7.329 -10.339 6.008 1.00 5.30 H new ATOM 0 HD3 LYS A 100 -6.536 -11.328 4.798 1.00 5.30 H new ATOM 0 HE2 LYS A 100 -5.749 -9.108 4.449 1.00 7.02 H new ATOM 0 HE3 LYS A 100 -6.869 -9.430 3.140 1.00 7.02 H new ATOM 0 HZ1 LYS A 100 -8.010 -7.669 3.731 1.00 8.33 H new ATOM 0 HZ2 LYS A 100 -8.319 -8.335 5.262 1.00 8.33 H new ATOM 0 HZ3 LYS A 100 -6.942 -7.373 5.017 1.00 8.33 H new ATOM 1495 N PRO A 101 -11.251 -11.681 1.512 1.00 1.54 N ATOM 1496 CA PRO A 101 -12.490 -10.983 1.192 1.00 2.31 C ATOM 1497 C PRO A 101 -13.094 -10.288 2.424 1.00 1.59 C ATOM 1498 O PRO A 101 -14.111 -10.727 2.959 1.00 2.30 O ATOM 1499 CB PRO A 101 -13.407 -12.059 0.593 1.00 3.82 C ATOM 1500 CG PRO A 101 -12.934 -13.338 1.282 1.00 3.97 C ATOM 1501 CD PRO A 101 -11.424 -13.116 1.375 1.00 2.64 C ATOM 0 HA PRO A 101 -12.333 -10.168 0.486 1.00 2.31 H new ATOM 0 HB2 PRO A 101 -14.457 -11.854 0.800 1.00 3.82 H new ATOM 0 HB3 PRO A 101 -13.301 -12.122 -0.490 1.00 3.82 H new ATOM 0 HG2 PRO A 101 -13.388 -13.463 2.265 1.00 3.97 H new ATOM 0 HG3 PRO A 101 -13.180 -14.228 0.702 1.00 3.97 H new ATOM 0 HD2 PRO A 101 -11.001 -13.646 2.229 1.00 2.64 H new ATOM 0 HD3 PRO A 101 -10.917 -13.489 0.485 1.00 2.64 H new ATOM 1509 N ASP A 102 -12.466 -9.200 2.885 1.00 1.85 N ATOM 1510 CA ASP A 102 -12.942 -8.413 4.021 1.00 2.45 C ATOM 1511 C ASP A 102 -14.309 -7.793 3.720 1.00 2.72 C ATOM 1512 O ASP A 102 -15.202 -7.777 4.565 1.00 3.62 O ATOM 1513 CB ASP A 102 -11.990 -7.248 4.353 1.00 3.43 C ATOM 1514 CG ASP A 102 -10.518 -7.599 4.411 1.00 4.77 C ATOM 1515 OD1 ASP A 102 -9.791 -7.178 3.486 1.00 5.40 O ATOM 1516 OD2 ASP A 102 -10.077 -8.242 5.389 1.00 5.98 O ATOM 0 H ASP A 102 -11.605 -8.840 2.474 1.00 1.85 H new ATOM 0 HA ASP A 102 -12.998 -9.104 4.862 1.00 2.45 H new ATOM 0 HB2 ASP A 102 -12.129 -6.466 3.607 1.00 3.43 H new ATOM 0 HB3 ASP A 102 -12.282 -6.827 5.315 1.00 3.43 H new ATOM 1521 N GLY A 103 -14.403 -7.155 2.551 1.00 2.87 N ATOM 1522 CA GLY A 103 -15.307 -6.039 2.319 1.00 4.03 C ATOM 1523 C GLY A 103 -16.483 -6.385 1.416 1.00 2.66 C ATOM 1524 O GLY A 103 -17.525 -5.733 1.501 1.00 3.16 O ATOM 0 H GLY A 103 -13.846 -7.405 1.734 1.00 2.87 H new ATOM 0 HA2 GLY A 103 -15.687 -5.685 3.277 1.00 4.03 H new ATOM 0 HA3 GLY A 103 -14.748 -5.216 1.874 1.00 4.03 H new ATOM 1528 N LYS A 104 -16.316 -7.343 0.502 1.00 1.78 N ATOM 1529 CA LYS A 104 -17.285 -7.726 -0.514 1.00 2.00 C ATOM 1530 C LYS A 104 -17.392 -6.648 -1.604 1.00 1.77 C ATOM 1531 O LYS A 104 -17.256 -6.950 -2.785 1.00 2.92 O ATOM 1532 CB LYS A 104 -18.633 -8.128 0.113 1.00 3.16 C ATOM 1533 CG LYS A 104 -19.353 -9.265 -0.633 1.00 4.99 C ATOM 1534 CD LYS A 104 -19.791 -8.884 -2.056 1.00 6.38 C ATOM 1535 CE LYS A 104 -18.834 -9.401 -3.144 1.00 7.99 C ATOM 1536 NZ LYS A 104 -19.048 -10.818 -3.476 1.00 9.51 N ATOM 0 H LYS A 104 -15.460 -7.896 0.452 1.00 1.78 H new ATOM 0 HA LYS A 104 -16.929 -8.624 -1.019 1.00 2.00 H new ATOM 0 HB2 LYS A 104 -18.466 -8.433 1.146 1.00 3.16 H new ATOM 0 HB3 LYS A 104 -19.285 -7.255 0.140 1.00 3.16 H new ATOM 0 HG2 LYS A 104 -18.692 -10.131 -0.684 1.00 4.99 H new ATOM 0 HG3 LYS A 104 -20.230 -9.567 -0.060 1.00 4.99 H new ATOM 0 HD2 LYS A 104 -20.789 -9.281 -2.241 1.00 6.38 H new ATOM 0 HD3 LYS A 104 -19.861 -7.799 -2.129 1.00 6.38 H new ATOM 0 HE2 LYS A 104 -18.959 -8.800 -4.045 1.00 7.99 H new ATOM 0 HE3 LYS A 104 -17.806 -9.264 -2.810 1.00 7.99 H new ATOM 0 HZ1 LYS A 104 -18.374 -11.107 -4.214 1.00 9.51 H new ATOM 0 HZ2 LYS A 104 -18.902 -11.400 -2.626 1.00 9.51 H new ATOM 0 HZ3 LYS A 104 -20.019 -10.950 -3.823 1.00 9.51 H new ATOM 1550 N ARG A 105 -17.648 -5.390 -1.229 1.00 2.32 N ATOM 1551 CA ARG A 105 -17.622 -4.259 -2.156 1.00 3.10 C ATOM 1552 C ARG A 105 -16.222 -4.094 -2.747 1.00 2.68 C ATOM 1553 O ARG A 105 -16.071 -3.768 -3.920 1.00 3.12 O ATOM 1554 CB ARG A 105 -17.998 -2.951 -1.447 1.00 4.12 C ATOM 1555 CG ARG A 105 -19.286 -3.052 -0.620 1.00 5.29 C ATOM 1556 CD ARG A 105 -19.621 -1.683 -0.013 1.00 6.58 C ATOM 1557 NE ARG A 105 -20.789 -1.753 0.882 1.00 8.03 N ATOM 1558 CZ ARG A 105 -22.075 -1.757 0.493 1.00 8.56 C ATOM 1559 NH1 ARG A 105 -22.377 -1.727 -0.810 1.00 7.97 N ATOM 1560 NH2 ARG A 105 -23.050 -1.792 1.408 1.00 10.04 N ATOM 0 H ARG A 105 -17.880 -5.129 -0.270 1.00 2.32 H new ATOM 0 HA ARG A 105 -18.347 -4.467 -2.943 1.00 3.10 H new ATOM 0 HB2 ARG A 105 -17.178 -2.653 -0.793 1.00 4.12 H new ATOM 0 HB3 ARG A 105 -18.115 -2.164 -2.192 1.00 4.12 H new ATOM 0 HG2 ARG A 105 -20.108 -3.392 -1.250 1.00 5.29 H new ATOM 0 HG3 ARG A 105 -19.164 -3.791 0.172 1.00 5.29 H new ATOM 0 HD2 ARG A 105 -18.760 -1.311 0.542 1.00 6.58 H new ATOM 0 HD3 ARG A 105 -19.818 -0.969 -0.813 1.00 6.58 H new ATOM 0 HE ARG A 105 -20.605 -1.803 1.884 1.00 8.03 H new ATOM 0 HH11 ARG A 105 -21.632 -1.701 -1.506 1.00 7.97 H new ATOM 0 HH12 ARG A 105 -23.353 -1.730 -1.108 1.00 7.97 H new ATOM 0 HH21 ARG A 105 -22.817 -1.816 2.401 1.00 10.04 H new ATOM 0 HH22 ARG A 105 -24.026 -1.795 1.113 1.00 10.04 H new ATOM 1574 N HIS A 106 -15.217 -4.262 -1.887 1.00 2.53 N ATOM 1575 CA HIS A 106 -13.799 -4.126 -2.167 1.00 2.40 C ATOM 1576 C HIS A 106 -13.057 -4.321 -0.843 1.00 1.70 C ATOM 1577 O HIS A 106 -12.967 -3.404 -0.026 1.00 2.99 O ATOM 1578 CB HIS A 106 -13.454 -2.780 -2.828 1.00 3.61 C ATOM 1579 CG HIS A 106 -14.196 -1.591 -2.267 1.00 5.22 C ATOM 1580 ND1 HIS A 106 -14.189 -1.194 -0.952 1.00 6.23 N ATOM 1581 CD2 HIS A 106 -15.097 -0.803 -2.933 1.00 6.53 C ATOM 1582 CE1 HIS A 106 -15.062 -0.181 -0.827 1.00 7.76 C ATOM 1583 NE2 HIS A 106 -15.648 0.089 -2.006 1.00 8.00 N ATOM 0 H HIS A 106 -15.390 -4.513 -0.914 1.00 2.53 H new ATOM 0 HA HIS A 106 -13.490 -4.880 -2.892 1.00 2.40 H new ATOM 0 HB2 HIS A 106 -12.383 -2.604 -2.725 1.00 3.61 H new ATOM 0 HB3 HIS A 106 -13.664 -2.851 -3.895 1.00 3.61 H new ATOM 0 HD1 HIS A 106 -13.623 -1.596 -0.205 1.00 6.23 H new ATOM 0 HD2 HIS A 106 -15.339 -0.860 -3.984 1.00 6.53 H new ATOM 0 HE1 HIS A 106 -15.265 0.344 0.094 1.00 7.76 H new ATOM 1591 N ALA A 107 -12.574 -5.539 -0.613 1.00 1.21 N ATOM 1592 CA ALA A 107 -11.698 -5.872 0.500 1.00 2.32 C ATOM 1593 C ALA A 107 -10.415 -5.028 0.526 1.00 1.91 C ATOM 1594 O ALA A 107 -10.193 -4.191 -0.352 1.00 2.22 O ATOM 1595 CB ALA A 107 -11.363 -7.353 0.393 1.00 3.82 C ATOM 0 H ALA A 107 -12.787 -6.338 -1.210 1.00 1.21 H new ATOM 0 HA ALA A 107 -12.215 -5.650 1.433 1.00 2.32 H new ATOM 0 HB1 ALA A 107 -10.706 -7.638 1.215 1.00 3.82 H new ATOM 0 HB2 ALA A 107 -12.281 -7.938 0.443 1.00 3.82 H new ATOM 0 HB3 ALA A 107 -10.862 -7.545 -0.556 1.00 3.82 H new ATOM 1601 N VAL A 108 -9.554 -5.265 1.524 1.00 1.47 N ATOM 1602 CA VAL A 108 -8.292 -4.557 1.684 1.00 1.17 C ATOM 1603 C VAL A 108 -7.116 -5.511 1.842 1.00 1.18 C ATOM 1604 O VAL A 108 -7.238 -6.592 2.416 1.00 1.46 O ATOM 1605 CB VAL A 108 -8.337 -3.600 2.886 1.00 1.11 C ATOM 1606 CG1 VAL A 108 -9.175 -2.376 2.541 1.00 1.23 C ATOM 1607 CG2 VAL A 108 -8.873 -4.260 4.160 1.00 1.34 C ATOM 0 H VAL A 108 -9.723 -5.963 2.248 1.00 1.47 H new ATOM 0 HA VAL A 108 -8.146 -3.980 0.771 1.00 1.17 H new ATOM 0 HB VAL A 108 -7.309 -3.305 3.095 1.00 1.11 H new ATOM 0 HG11 VAL A 108 -9.203 -1.701 3.397 1.00 1.23 H new ATOM 0 HG12 VAL A 108 -8.733 -1.861 1.688 1.00 1.23 H new ATOM 0 HG13 VAL A 108 -10.189 -2.688 2.291 1.00 1.23 H new ATOM 0 HG21 VAL A 108 -8.880 -3.532 4.972 1.00 1.34 H new ATOM 0 HG22 VAL A 108 -9.888 -4.618 3.985 1.00 1.34 H new ATOM 0 HG23 VAL A 108 -8.234 -5.100 4.431 1.00 1.34 H new ATOM 1617 N ILE A 109 -5.948 -5.058 1.391 1.00 1.10 N ATOM 1618 CA ILE A 109 -4.675 -5.609 1.785 1.00 1.16 C ATOM 1619 C ILE A 109 -4.334 -5.048 3.159 1.00 1.15 C ATOM 1620 O ILE A 109 -4.595 -3.876 3.435 1.00 1.33 O ATOM 1621 CB ILE A 109 -3.602 -5.269 0.736 1.00 1.21 C ATOM 1622 CG1 ILE A 109 -3.994 -5.908 -0.600 1.00 1.90 C ATOM 1623 CG2 ILE A 109 -2.207 -5.730 1.183 1.00 2.13 C ATOM 1624 CD1 ILE A 109 -3.030 -5.555 -1.720 1.00 2.65 C ATOM 0 H ILE A 109 -5.870 -4.284 0.731 1.00 1.10 H new ATOM 0 HA ILE A 109 -4.718 -6.697 1.844 1.00 1.16 H new ATOM 0 HB ILE A 109 -3.550 -4.186 0.620 1.00 1.21 H new ATOM 0 HG12 ILE A 109 -4.030 -6.991 -0.484 1.00 1.90 H new ATOM 0 HG13 ILE A 109 -4.998 -5.583 -0.873 1.00 1.90 H new ATOM 0 HG21 ILE A 109 -1.476 -5.473 0.417 1.00 2.13 H new ATOM 0 HG22 ILE A 109 -1.942 -5.235 2.118 1.00 2.13 H new ATOM 0 HG23 ILE A 109 -2.211 -6.810 1.332 1.00 2.13 H new ATOM 0 HD11 ILE A 109 -3.355 -6.034 -2.644 1.00 2.65 H new ATOM 0 HD12 ILE A 109 -3.013 -4.474 -1.858 1.00 2.65 H new ATOM 0 HD13 ILE A 109 -2.030 -5.904 -1.463 1.00 2.65 H new ATOM 1636 N SER A 110 -3.769 -5.905 4.013 1.00 1.02 N ATOM 1637 CA SER A 110 -3.570 -5.644 5.431 1.00 0.77 C ATOM 1638 C SER A 110 -2.132 -5.998 5.818 1.00 0.75 C ATOM 1639 O SER A 110 -1.913 -6.875 6.649 1.00 1.16 O ATOM 1640 CB SER A 110 -4.595 -6.470 6.223 1.00 0.91 C ATOM 1641 OG SER A 110 -5.905 -6.254 5.713 1.00 2.38 O ATOM 0 H SER A 110 -3.430 -6.823 3.724 1.00 1.02 H new ATOM 0 HA SER A 110 -3.721 -4.589 5.660 1.00 0.77 H new ATOM 0 HB2 SER A 110 -4.344 -7.529 6.162 1.00 0.91 H new ATOM 0 HB3 SER A 110 -4.558 -6.194 7.277 1.00 0.91 H new ATOM 0 HG SER A 110 -6.559 -6.358 6.436 1.00 2.38 H new ATOM 1647 N GLY A 111 -1.150 -5.352 5.183 1.00 0.68 N ATOM 1648 CA GLY A 111 0.253 -5.713 5.350 1.00 0.69 C ATOM 1649 C GLY A 111 0.886 -5.062 6.579 1.00 0.58 C ATOM 1650 O GLY A 111 0.456 -3.998 7.015 1.00 0.69 O ATOM 0 H GLY A 111 -1.307 -4.572 4.545 1.00 0.68 H new ATOM 0 HA2 GLY A 111 0.338 -6.796 5.433 1.00 0.69 H new ATOM 0 HA3 GLY A 111 0.809 -5.417 4.460 1.00 0.69 H new ATOM 1654 N SER A 112 1.941 -5.675 7.115 1.00 0.73 N ATOM 1655 CA SER A 112 2.834 -5.058 8.090 1.00 0.71 C ATOM 1656 C SER A 112 3.811 -4.127 7.353 1.00 0.67 C ATOM 1657 O SER A 112 3.914 -4.234 6.127 1.00 0.74 O ATOM 1658 CB SER A 112 3.577 -6.175 8.823 1.00 0.82 C ATOM 1659 OG SER A 112 2.669 -7.172 9.254 1.00 1.43 O ATOM 0 H SER A 112 2.202 -6.632 6.878 1.00 0.73 H new ATOM 0 HA SER A 112 2.281 -4.462 8.816 1.00 0.71 H new ATOM 0 HB2 SER A 112 4.325 -6.616 8.164 1.00 0.82 H new ATOM 0 HB3 SER A 112 4.110 -5.764 9.681 1.00 0.82 H new ATOM 0 HG SER A 112 3.159 -7.881 9.720 1.00 1.43 H new ATOM 1665 N VAL A 113 4.489 -3.201 8.054 1.00 0.74 N ATOM 1666 CA VAL A 113 5.455 -2.296 7.419 1.00 0.81 C ATOM 1667 C VAL A 113 6.818 -2.256 8.125 1.00 0.76 C ATOM 1668 O VAL A 113 6.923 -1.825 9.282 1.00 1.09 O ATOM 1669 CB VAL A 113 4.862 -0.896 7.147 1.00 0.90 C ATOM 1670 CG1 VAL A 113 3.349 -0.931 6.894 1.00 0.89 C ATOM 1671 CG2 VAL A 113 5.144 0.131 8.246 1.00 1.07 C ATOM 0 H VAL A 113 4.384 -3.062 9.059 1.00 0.74 H new ATOM 0 HA VAL A 113 5.666 -2.728 6.441 1.00 0.81 H new ATOM 0 HB VAL A 113 5.380 -0.576 6.243 1.00 0.90 H new ATOM 0 HG11 VAL A 113 2.988 0.081 6.709 1.00 0.89 H new ATOM 0 HG12 VAL A 113 3.140 -1.556 6.026 1.00 0.89 H new ATOM 0 HG13 VAL A 113 2.843 -1.343 7.768 1.00 0.89 H new ATOM 0 HG21 VAL A 113 4.693 1.086 7.976 1.00 1.07 H new ATOM 0 HG22 VAL A 113 4.719 -0.218 9.187 1.00 1.07 H new ATOM 0 HG23 VAL A 113 6.221 0.257 8.358 1.00 1.07 H new ATOM 1681 N LEU A 114 7.880 -2.618 7.397 1.00 0.71 N ATOM 1682 CA LEU A 114 9.263 -2.524 7.831 1.00 0.68 C ATOM 1683 C LEU A 114 9.783 -1.130 7.490 1.00 0.69 C ATOM 1684 O LEU A 114 9.595 -0.651 6.381 1.00 0.93 O ATOM 1685 CB LEU A 114 10.084 -3.647 7.185 1.00 0.83 C ATOM 1686 CG LEU A 114 11.609 -3.491 7.320 1.00 1.00 C ATOM 1687 CD1 LEU A 114 12.254 -4.842 7.642 1.00 1.52 C ATOM 1688 CD2 LEU A 114 12.195 -2.964 6.002 1.00 2.11 C ATOM 0 H LEU A 114 7.788 -2.998 6.455 1.00 0.71 H new ATOM 0 HA LEU A 114 9.350 -2.657 8.909 1.00 0.68 H new ATOM 0 HB2 LEU A 114 9.789 -4.597 7.632 1.00 0.83 H new ATOM 0 HB3 LEU A 114 9.831 -3.700 6.126 1.00 0.83 H new ATOM 0 HG LEU A 114 11.815 -2.788 8.127 1.00 1.00 H new ATOM 0 HD11 LEU A 114 13.333 -4.717 7.735 1.00 1.52 H new ATOM 0 HD12 LEU A 114 11.851 -5.223 8.580 1.00 1.52 H new ATOM 0 HD13 LEU A 114 12.038 -5.549 6.841 1.00 1.52 H new ATOM 0 HD21 LEU A 114 13.275 -2.855 6.102 1.00 2.11 H new ATOM 0 HD22 LEU A 114 11.974 -3.667 5.199 1.00 2.11 H new ATOM 0 HD23 LEU A 114 11.753 -1.996 5.769 1.00 2.11 H new ATOM 1700 N TYR A 115 10.415 -0.489 8.473 1.00 0.81 N ATOM 1701 CA TYR A 115 11.113 0.786 8.425 1.00 0.99 C ATOM 1702 C TYR A 115 12.585 0.418 8.374 1.00 0.99 C ATOM 1703 O TYR A 115 13.174 0.271 9.439 1.00 1.16 O ATOM 1704 CB TYR A 115 10.751 1.543 9.722 1.00 1.25 C ATOM 1705 CG TYR A 115 11.614 2.721 10.159 1.00 1.75 C ATOM 1706 CD1 TYR A 115 11.265 4.032 9.779 1.00 3.05 C ATOM 1707 CD2 TYR A 115 12.526 2.534 11.221 1.00 2.54 C ATOM 1708 CE1 TYR A 115 11.825 5.135 10.450 1.00 3.88 C ATOM 1709 CE2 TYR A 115 13.066 3.636 11.902 1.00 3.38 C ATOM 1710 CZ TYR A 115 12.731 4.939 11.505 1.00 3.72 C ATOM 1711 OH TYR A 115 13.351 6.001 12.094 1.00 4.78 O ATOM 0 H TYR A 115 10.452 -0.892 9.409 1.00 0.81 H new ATOM 0 HA TYR A 115 10.855 1.421 7.578 1.00 0.99 H new ATOM 0 HB2 TYR A 115 9.729 1.906 9.616 1.00 1.25 H new ATOM 0 HB3 TYR A 115 10.749 0.818 10.536 1.00 1.25 H new ATOM 0 HD1 TYR A 115 10.566 4.191 8.971 1.00 3.05 H new ATOM 0 HD2 TYR A 115 12.811 1.534 11.512 1.00 2.54 H new ATOM 0 HE1 TYR A 115 11.557 6.138 10.152 1.00 3.88 H new ATOM 0 HE2 TYR A 115 13.740 3.481 12.732 1.00 3.38 H new ATOM 0 HH TYR A 115 14.145 5.690 12.577 1.00 4.78 H new ATOM 1721 N ASN A 116 13.131 0.185 7.173 1.00 1.00 N ATOM 1722 CA ASN A 116 14.526 -0.160 6.869 1.00 1.14 C ATOM 1723 C ASN A 116 15.054 -1.438 7.541 1.00 0.93 C ATOM 1724 O ASN A 116 15.632 -2.279 6.858 1.00 1.16 O ATOM 1725 CB ASN A 116 15.418 1.042 7.172 1.00 1.53 C ATOM 1726 CG ASN A 116 16.796 1.046 6.513 1.00 2.25 C ATOM 1727 OD1 ASN A 116 17.380 2.119 6.372 1.00 3.44 O ATOM 1728 ND2 ASN A 116 17.345 -0.099 6.111 1.00 2.82 N ATOM 0 H ASN A 116 12.567 0.237 6.325 1.00 1.00 H new ATOM 0 HA ASN A 116 14.554 -0.401 5.806 1.00 1.14 H new ATOM 0 HB2 ASN A 116 14.890 1.945 6.866 1.00 1.53 H new ATOM 0 HB3 ASN A 116 15.555 1.103 8.252 1.00 1.53 H new ATOM 0 HD21 ASN A 116 18.268 -0.097 5.676 1.00 2.82 H new ATOM 0 HD22 ASN A 116 16.843 -0.978 6.238 1.00 2.82 H new ATOM 1735 N GLN A 117 14.942 -1.540 8.865 1.00 0.79 N ATOM 1736 CA GLN A 117 15.317 -2.662 9.709 1.00 0.77 C ATOM 1737 C GLN A 117 14.139 -3.166 10.569 1.00 0.82 C ATOM 1738 O GLN A 117 14.153 -4.329 10.963 1.00 1.16 O ATOM 1739 CB GLN A 117 16.528 -2.289 10.598 1.00 1.00 C ATOM 1740 CG GLN A 117 17.021 -0.837 10.531 1.00 1.84 C ATOM 1741 CD GLN A 117 16.022 0.167 11.099 1.00 2.73 C ATOM 1742 OE1 GLN A 117 15.037 -0.197 11.731 1.00 4.04 O ATOM 1743 NE2 GLN A 117 16.262 1.445 10.847 1.00 2.92 N ATOM 0 H GLN A 117 14.554 -0.774 9.415 1.00 0.79 H new ATOM 0 HA GLN A 117 15.603 -3.482 9.051 1.00 0.77 H new ATOM 0 HB2 GLN A 117 16.269 -2.511 11.633 1.00 1.00 H new ATOM 0 HB3 GLN A 117 17.359 -2.942 10.330 1.00 1.00 H new ATOM 0 HG2 GLN A 117 17.960 -0.754 11.078 1.00 1.84 H new ATOM 0 HG3 GLN A 117 17.233 -0.580 9.493 1.00 1.84 H new ATOM 0 HE21 GLN A 117 17.092 1.713 10.318 1.00 2.92 H new ATOM 0 HE22 GLN A 117 15.617 2.161 11.182 1.00 2.92 H new ATOM 1752 N ALA A 118 13.148 -2.323 10.907 1.00 0.82 N ATOM 1753 CA ALA A 118 12.217 -2.595 12.008 1.00 0.94 C ATOM 1754 C ALA A 118 10.764 -2.580 11.550 1.00 0.82 C ATOM 1755 O ALA A 118 10.319 -1.590 10.971 1.00 1.05 O ATOM 1756 CB ALA A 118 12.375 -1.531 13.096 1.00 1.21 C ATOM 0 H ALA A 118 12.973 -1.441 10.426 1.00 0.82 H new ATOM 0 HA ALA A 118 12.458 -3.588 12.387 1.00 0.94 H new ATOM 0 HB1 ALA A 118 11.681 -1.738 13.911 1.00 1.21 H new ATOM 0 HB2 ALA A 118 13.397 -1.548 13.476 1.00 1.21 H new ATOM 0 HB3 ALA A 118 12.160 -0.548 12.677 1.00 1.21 H new ATOM 1762 N GLU A 119 9.990 -3.614 11.882 1.00 0.81 N ATOM 1763 CA GLU A 119 8.570 -3.717 11.576 1.00 0.90 C ATOM 1764 C GLU A 119 7.722 -3.567 12.840 1.00 1.00 C ATOM 1765 O GLU A 119 7.687 -4.470 13.672 1.00 1.48 O ATOM 1766 CB GLU A 119 8.308 -5.031 10.836 1.00 1.31 C ATOM 1767 CG GLU A 119 6.834 -5.151 10.440 1.00 1.61 C ATOM 1768 CD GLU A 119 6.671 -6.038 9.220 1.00 2.56 C ATOM 1769 OE1 GLU A 119 6.632 -5.461 8.113 1.00 3.75 O ATOM 1770 OE2 GLU A 119 6.514 -7.260 9.419 1.00 3.07 O ATOM 0 H GLU A 119 10.348 -4.425 12.386 1.00 0.81 H new ATOM 0 HA GLU A 119 8.274 -2.899 10.920 1.00 0.90 H new ATOM 0 HB2 GLU A 119 8.933 -5.082 9.945 1.00 1.31 H new ATOM 0 HB3 GLU A 119 8.588 -5.872 11.470 1.00 1.31 H new ATOM 0 HG2 GLU A 119 6.262 -5.562 11.272 1.00 1.61 H new ATOM 0 HG3 GLU A 119 6.428 -4.161 10.232 1.00 1.61 H new ATOM 1777 N LYS A 120 7.068 -2.407 13.004 1.00 0.93 N ATOM 1778 CA LYS A 120 6.312 -2.049 14.183 1.00 1.03 C ATOM 1779 C LYS A 120 5.125 -1.165 13.788 1.00 1.41 C ATOM 1780 O LYS A 120 4.709 -0.279 14.530 1.00 2.03 O ATOM 1781 CB LYS A 120 7.280 -1.392 15.161 1.00 1.02 C ATOM 1782 CG LYS A 120 7.919 -0.075 14.696 1.00 2.68 C ATOM 1783 CD LYS A 120 8.642 -0.084 13.343 1.00 4.80 C ATOM 1784 CE LYS A 120 7.832 0.527 12.169 1.00 6.07 C ATOM 1785 NZ LYS A 120 8.163 -0.041 10.837 1.00 7.83 N ATOM 0 H LYS A 120 7.059 -1.679 12.289 1.00 0.93 H new ATOM 0 HA LYS A 120 5.875 -2.917 14.676 1.00 1.03 H new ATOM 0 HB2 LYS A 120 6.750 -1.205 16.095 1.00 1.02 H new ATOM 0 HB3 LYS A 120 8.078 -2.101 15.383 1.00 1.02 H new ATOM 0 HG2 LYS A 120 7.137 0.684 14.656 1.00 2.68 H new ATOM 0 HG3 LYS A 120 8.632 0.242 15.457 1.00 2.68 H new ATOM 0 HD2 LYS A 120 9.579 0.464 13.444 1.00 4.80 H new ATOM 0 HD3 LYS A 120 8.900 -1.113 13.091 1.00 4.80 H new ATOM 0 HE2 LYS A 120 6.769 0.379 12.360 1.00 6.07 H new ATOM 0 HE3 LYS A 120 8.004 1.603 12.145 1.00 6.07 H new ATOM 0 HZ1 LYS A 120 8.047 0.692 10.108 1.00 7.83 H new ATOM 0 HZ2 LYS A 120 9.148 -0.376 10.837 1.00 7.83 H new ATOM 0 HZ3 LYS A 120 7.527 -0.837 10.631 1.00 7.83 H new ATOM 1799 N GLY A 121 4.625 -1.380 12.570 1.00 1.06 N ATOM 1800 CA GLY A 121 3.559 -0.606 11.951 1.00 1.09 C ATOM 1801 C GLY A 121 2.847 -1.449 10.896 1.00 0.66 C ATOM 1802 O GLY A 121 3.325 -2.532 10.551 1.00 0.71 O ATOM 0 H GLY A 121 4.968 -2.128 11.968 1.00 1.06 H new ATOM 0 HA2 GLY A 121 2.847 -0.280 12.710 1.00 1.09 H new ATOM 0 HA3 GLY A 121 3.970 0.293 11.493 1.00 1.09 H new ATOM 1806 N SER A 122 1.708 -0.956 10.405 1.00 0.53 N ATOM 1807 CA SER A 122 0.740 -1.709 9.622 1.00 0.47 C ATOM 1808 C SER A 122 0.128 -0.834 8.531 1.00 0.40 C ATOM 1809 O SER A 122 0.118 0.388 8.652 1.00 0.54 O ATOM 1810 CB SER A 122 -0.345 -2.224 10.572 1.00 0.61 C ATOM 1811 OG SER A 122 -0.783 -1.189 11.436 1.00 0.78 O ATOM 0 H SER A 122 1.429 0.014 10.550 1.00 0.53 H new ATOM 0 HA SER A 122 1.233 -2.547 9.129 1.00 0.47 H new ATOM 0 HB2 SER A 122 -1.188 -2.606 9.997 1.00 0.61 H new ATOM 0 HB3 SER A 122 0.043 -3.056 11.160 1.00 0.61 H new ATOM 0 HG SER A 122 -1.477 -1.535 12.035 1.00 0.78 H new ATOM 1817 N TYR A 123 -0.403 -1.463 7.482 1.00 0.43 N ATOM 1818 CA TYR A 123 -0.963 -0.828 6.304 1.00 0.53 C ATOM 1819 C TYR A 123 -2.362 -1.370 6.045 1.00 0.44 C ATOM 1820 O TYR A 123 -2.639 -2.525 6.355 1.00 0.64 O ATOM 1821 CB TYR A 123 -0.022 -1.084 5.126 1.00 1.03 C ATOM 1822 CG TYR A 123 -0.495 -0.704 3.739 1.00 0.70 C ATOM 1823 CD1 TYR A 123 -0.780 0.642 3.464 1.00 1.90 C ATOM 1824 CD2 TYR A 123 -0.283 -1.599 2.671 1.00 1.66 C ATOM 1825 CE1 TYR A 123 -0.598 1.143 2.168 1.00 2.57 C ATOM 1826 CE2 TYR A 123 -0.168 -1.111 1.358 1.00 1.73 C ATOM 1827 CZ TYR A 123 -0.265 0.271 1.118 1.00 1.94 C ATOM 1828 OH TYR A 123 -0.101 0.761 -0.141 1.00 2.73 O ATOM 0 H TYR A 123 -0.453 -2.481 7.436 1.00 0.43 H new ATOM 0 HA TYR A 123 -1.055 0.249 6.448 1.00 0.53 H new ATOM 0 HB2 TYR A 123 0.908 -0.549 5.319 1.00 1.03 H new ATOM 0 HB3 TYR A 123 0.219 -2.147 5.117 1.00 1.03 H new ATOM 0 HD1 TYR A 123 -1.139 1.291 4.249 1.00 1.90 H new ATOM 0 HD2 TYR A 123 -0.209 -2.659 2.862 1.00 1.66 H new ATOM 0 HE1 TYR A 123 -0.714 2.200 1.976 1.00 2.57 H new ATOM 0 HE2 TYR A 123 -0.006 -1.794 0.537 1.00 1.73 H new ATOM 0 HH TYR A 123 0.128 0.028 -0.750 1.00 2.73 H new ATOM 1838 N SER A 124 -3.244 -0.527 5.504 1.00 0.48 N ATOM 1839 CA SER A 124 -4.594 -0.891 5.110 1.00 0.60 C ATOM 1840 C SER A 124 -4.827 -0.257 3.745 1.00 0.53 C ATOM 1841 O SER A 124 -4.942 0.966 3.659 1.00 0.62 O ATOM 1842 CB SER A 124 -5.585 -0.359 6.148 1.00 0.88 C ATOM 1843 OG SER A 124 -5.377 -1.021 7.382 1.00 1.93 O ATOM 0 H SER A 124 -3.026 0.453 5.326 1.00 0.48 H new ATOM 0 HA SER A 124 -4.731 -1.971 5.053 1.00 0.60 H new ATOM 0 HB2 SER A 124 -5.455 0.716 6.273 1.00 0.88 H new ATOM 0 HB3 SER A 124 -6.607 -0.518 5.805 1.00 0.88 H new ATOM 0 HG SER A 124 -6.010 -0.679 8.047 1.00 1.93 H new ATOM 1849 N LEU A 125 -4.833 -1.066 2.684 1.00 0.57 N ATOM 1850 CA LEU A 125 -4.908 -0.578 1.311 1.00 0.59 C ATOM 1851 C LEU A 125 -6.067 -1.238 0.591 1.00 0.62 C ATOM 1852 O LEU A 125 -6.220 -2.448 0.665 1.00 0.72 O ATOM 1853 CB LEU A 125 -3.572 -0.857 0.628 1.00 0.66 C ATOM 1854 CG LEU A 125 -3.439 -0.398 -0.831 1.00 0.68 C ATOM 1855 CD1 LEU A 125 -4.013 -1.369 -1.866 1.00 0.73 C ATOM 1856 CD2 LEU A 125 -3.867 1.047 -1.075 1.00 0.76 C ATOM 0 H LEU A 125 -4.786 -2.082 2.756 1.00 0.57 H new ATOM 0 HA LEU A 125 -5.091 0.496 1.290 1.00 0.59 H new ATOM 0 HB2 LEU A 125 -2.785 -0.377 1.210 1.00 0.66 H new ATOM 0 HB3 LEU A 125 -3.387 -1.931 0.666 1.00 0.66 H new ATOM 0 HG LEU A 125 -2.362 -0.417 -0.997 1.00 0.68 H new ATOM 0 HD11 LEU A 125 -3.873 -0.959 -2.866 1.00 0.73 H new ATOM 0 HD12 LEU A 125 -3.498 -2.327 -1.791 1.00 0.73 H new ATOM 0 HD13 LEU A 125 -5.077 -1.513 -1.679 1.00 0.73 H new ATOM 0 HD21 LEU A 125 -3.742 1.290 -2.130 1.00 0.76 H new ATOM 0 HD22 LEU A 125 -4.914 1.168 -0.796 1.00 0.76 H new ATOM 0 HD23 LEU A 125 -3.252 1.715 -0.473 1.00 0.76 H new ATOM 1868 N GLY A 126 -6.871 -0.446 -0.110 1.00 0.60 N ATOM 1869 CA GLY A 126 -8.065 -0.881 -0.821 1.00 0.61 C ATOM 1870 C GLY A 126 -7.946 -0.528 -2.297 1.00 0.68 C ATOM 1871 O GLY A 126 -6.985 0.121 -2.702 1.00 1.17 O ATOM 0 H GLY A 126 -6.701 0.556 -0.201 1.00 0.60 H new ATOM 0 HA2 GLY A 126 -8.196 -1.957 -0.705 1.00 0.61 H new ATOM 0 HA3 GLY A 126 -8.947 -0.404 -0.394 1.00 0.61 H new ATOM 1875 N ILE A 127 -8.918 -0.963 -3.101 1.00 0.68 N ATOM 1876 CA ILE A 127 -8.959 -0.748 -4.537 1.00 0.66 C ATOM 1877 C ILE A 127 -10.341 -0.212 -4.895 1.00 0.66 C ATOM 1878 O ILE A 127 -11.349 -0.786 -4.483 1.00 0.82 O ATOM 1879 CB ILE A 127 -8.606 -2.056 -5.275 1.00 0.91 C ATOM 1880 CG1 ILE A 127 -8.593 -1.818 -6.794 1.00 1.14 C ATOM 1881 CG2 ILE A 127 -9.533 -3.228 -4.908 1.00 1.43 C ATOM 1882 CD1 ILE A 127 -8.044 -3.024 -7.561 1.00 2.35 C ATOM 0 H ILE A 127 -9.720 -1.490 -2.754 1.00 0.68 H new ATOM 0 HA ILE A 127 -8.218 -0.013 -4.851 1.00 0.66 H new ATOM 0 HB ILE A 127 -7.609 -2.348 -4.946 1.00 0.91 H new ATOM 0 HG12 ILE A 127 -9.605 -1.602 -7.135 1.00 1.14 H new ATOM 0 HG13 ILE A 127 -7.987 -0.940 -7.018 1.00 1.14 H new ATOM 0 HG21 ILE A 127 -9.231 -4.118 -5.461 1.00 1.43 H new ATOM 0 HG22 ILE A 127 -9.464 -3.425 -3.838 1.00 1.43 H new ATOM 0 HG23 ILE A 127 -10.561 -2.973 -5.165 1.00 1.43 H new ATOM 0 HD11 ILE A 127 -8.054 -2.811 -8.630 1.00 2.35 H new ATOM 0 HD12 ILE A 127 -7.022 -3.225 -7.240 1.00 2.35 H new ATOM 0 HD13 ILE A 127 -8.665 -3.897 -7.360 1.00 2.35 H new ATOM 1894 N PHE A 128 -10.402 0.885 -5.654 1.00 0.66 N ATOM 1895 CA PHE A 128 -11.659 1.373 -6.197 1.00 0.69 C ATOM 1896 C PHE A 128 -12.147 0.396 -7.266 1.00 1.33 C ATOM 1897 O PHE A 128 -11.935 0.607 -8.467 1.00 1.75 O ATOM 1898 CB PHE A 128 -11.506 2.816 -6.691 1.00 1.72 C ATOM 1899 CG PHE A 128 -12.763 3.593 -7.057 1.00 2.64 C ATOM 1900 CD1 PHE A 128 -12.632 4.963 -7.359 1.00 3.84 C ATOM 1901 CD2 PHE A 128 -14.044 3.002 -7.074 1.00 3.33 C ATOM 1902 CE1 PHE A 128 -13.759 5.725 -7.709 1.00 4.95 C ATOM 1903 CE2 PHE A 128 -15.170 3.763 -7.436 1.00 4.42 C ATOM 1904 CZ PHE A 128 -15.028 5.125 -7.757 1.00 5.02 C ATOM 0 H PHE A 128 -9.590 1.449 -5.903 1.00 0.66 H new ATOM 0 HA PHE A 128 -12.427 1.413 -5.425 1.00 0.69 H new ATOM 0 HB2 PHE A 128 -10.982 3.378 -5.918 1.00 1.72 H new ATOM 0 HB3 PHE A 128 -10.859 2.800 -7.568 1.00 1.72 H new ATOM 0 HD1 PHE A 128 -11.659 5.430 -7.321 1.00 3.84 H new ATOM 0 HD2 PHE A 128 -14.160 1.962 -6.808 1.00 3.33 H new ATOM 0 HE1 PHE A 128 -13.649 6.774 -7.942 1.00 4.95 H new ATOM 0 HE2 PHE A 128 -16.146 3.301 -7.468 1.00 4.42 H new ATOM 0 HZ PHE A 128 -15.892 5.708 -8.040 1.00 5.02 H new ATOM 1914 N GLY A 129 -12.817 -0.658 -6.787 1.00 2.39 N ATOM 1915 CA GLY A 129 -13.641 -1.538 -7.589 1.00 3.53 C ATOM 1916 C GLY A 129 -14.624 -0.681 -8.378 1.00 2.54 C ATOM 1917 O GLY A 129 -15.528 -0.076 -7.804 1.00 3.56 O ATOM 0 H GLY A 129 -12.793 -0.921 -5.802 1.00 2.39 H new ATOM 0 HA2 GLY A 129 -13.022 -2.127 -8.266 1.00 3.53 H new ATOM 0 HA3 GLY A 129 -14.176 -2.242 -6.952 1.00 3.53 H new ATOM 1921 N GLY A 130 -14.392 -0.572 -9.679 1.00 1.55 N ATOM 1922 CA GLY A 130 -15.192 0.199 -10.604 1.00 2.18 C ATOM 1923 C GLY A 130 -14.475 0.135 -11.939 1.00 2.50 C ATOM 1924 O GLY A 130 -15.075 -0.170 -12.968 1.00 3.55 O ATOM 0 H GLY A 130 -13.607 -1.040 -10.132 1.00 1.55 H new ATOM 0 HA2 GLY A 130 -16.199 -0.211 -10.683 1.00 2.18 H new ATOM 0 HA3 GLY A 130 -15.293 1.230 -10.265 1.00 2.18 H new ATOM 1928 N LYS A 131 -13.165 0.416 -11.907 1.00 1.99 N ATOM 1929 CA LYS A 131 -12.245 0.007 -12.962 1.00 2.04 C ATOM 1930 C LYS A 131 -10.832 -0.312 -12.441 1.00 1.62 C ATOM 1931 O LYS A 131 -9.933 -0.374 -13.274 1.00 1.78 O ATOM 1932 CB LYS A 131 -12.137 1.076 -14.075 1.00 2.37 C ATOM 1933 CG LYS A 131 -13.435 1.797 -14.465 1.00 2.97 C ATOM 1934 CD LYS A 131 -13.165 2.838 -15.562 1.00 3.17 C ATOM 1935 CE LYS A 131 -14.372 3.767 -15.763 1.00 4.24 C ATOM 1936 NZ LYS A 131 -14.434 4.840 -14.747 1.00 5.39 N ATOM 0 H LYS A 131 -12.720 0.932 -11.148 1.00 1.99 H new ATOM 0 HA LYS A 131 -12.672 -0.908 -13.372 1.00 2.04 H new ATOM 0 HB2 LYS A 131 -11.413 1.826 -13.757 1.00 2.37 H new ATOM 0 HB3 LYS A 131 -11.731 0.599 -14.967 1.00 2.37 H new ATOM 0 HG2 LYS A 131 -14.169 1.072 -14.817 1.00 2.97 H new ATOM 0 HG3 LYS A 131 -13.863 2.285 -13.590 1.00 2.97 H new ATOM 0 HD2 LYS A 131 -12.289 3.430 -15.296 1.00 3.17 H new ATOM 0 HD3 LYS A 131 -12.935 2.330 -16.499 1.00 3.17 H new ATOM 0 HE2 LYS A 131 -14.322 4.213 -16.756 1.00 4.24 H new ATOM 0 HE3 LYS A 131 -15.289 3.180 -15.724 1.00 4.24 H new ATOM 0 HZ1 LYS A 131 -15.424 4.998 -14.469 1.00 5.39 H new ATOM 0 HZ2 LYS A 131 -13.880 4.560 -13.912 1.00 5.39 H new ATOM 0 HZ3 LYS A 131 -14.042 5.717 -15.144 1.00 5.39 H new ATOM 1950 N ALA A 132 -10.591 -0.450 -11.123 1.00 1.39 N ATOM 1951 CA ALA A 132 -9.254 -0.356 -10.541 1.00 1.24 C ATOM 1952 C ALA A 132 -8.722 1.046 -10.834 1.00 1.17 C ATOM 1953 O ALA A 132 -7.818 1.224 -11.645 1.00 1.48 O ATOM 1954 CB ALA A 132 -8.323 -1.472 -11.047 1.00 1.55 C ATOM 0 H ALA A 132 -11.325 -0.630 -10.437 1.00 1.39 H new ATOM 0 HA ALA A 132 -9.299 -0.506 -9.462 1.00 1.24 H new ATOM 0 HB1 ALA A 132 -7.340 -1.362 -10.588 1.00 1.55 H new ATOM 0 HB2 ALA A 132 -8.741 -2.443 -10.781 1.00 1.55 H new ATOM 0 HB3 ALA A 132 -8.227 -1.402 -12.131 1.00 1.55 H new ATOM 1960 N GLN A 133 -9.349 2.048 -10.210 1.00 1.00 N ATOM 1961 CA GLN A 133 -9.195 3.451 -10.580 1.00 1.05 C ATOM 1962 C GLN A 133 -8.199 4.157 -9.656 1.00 0.84 C ATOM 1963 O GLN A 133 -7.303 4.877 -10.102 1.00 1.02 O ATOM 1964 CB GLN A 133 -10.569 4.133 -10.529 1.00 1.31 C ATOM 1965 CG GLN A 133 -11.502 3.510 -11.573 1.00 1.51 C ATOM 1966 CD GLN A 133 -12.964 3.889 -11.381 1.00 2.67 C ATOM 1967 OE1 GLN A 133 -13.583 4.479 -12.266 1.00 2.85 O ATOM 1968 NE2 GLN A 133 -13.549 3.503 -10.254 1.00 3.99 N ATOM 0 H GLN A 133 -9.984 1.902 -9.425 1.00 1.00 H new ATOM 0 HA GLN A 133 -8.797 3.515 -11.593 1.00 1.05 H new ATOM 0 HB2 GLN A 133 -11.000 4.026 -9.534 1.00 1.31 H new ATOM 0 HB3 GLN A 133 -10.461 5.201 -10.717 1.00 1.31 H new ATOM 0 HG2 GLN A 133 -11.181 3.821 -12.567 1.00 1.51 H new ATOM 0 HG3 GLN A 133 -11.407 2.425 -11.532 1.00 1.51 H new ATOM 0 HE21 GLN A 133 -13.008 3.016 -9.540 1.00 3.99 H new ATOM 0 HE22 GLN A 133 -14.539 3.694 -10.102 1.00 3.99 H new ATOM 1977 N GLU A 134 -8.388 3.958 -8.353 1.00 0.74 N ATOM 1978 CA GLU A 134 -7.612 4.550 -7.284 1.00 0.80 C ATOM 1979 C GLU A 134 -7.453 3.477 -6.206 1.00 0.75 C ATOM 1980 O GLU A 134 -8.458 2.933 -5.741 1.00 1.06 O ATOM 1981 CB GLU A 134 -8.362 5.774 -6.738 1.00 1.01 C ATOM 1982 CG GLU A 134 -8.811 6.712 -7.868 1.00 1.10 C ATOM 1983 CD GLU A 134 -9.467 7.967 -7.317 1.00 1.55 C ATOM 1984 OE1 GLU A 134 -10.603 7.836 -6.820 1.00 2.16 O ATOM 1985 OE2 GLU A 134 -8.815 9.029 -7.423 1.00 2.48 O ATOM 0 H GLU A 134 -9.127 3.347 -8.005 1.00 0.74 H new ATOM 0 HA GLU A 134 -6.633 4.884 -7.627 1.00 0.80 H new ATOM 0 HB2 GLU A 134 -9.232 5.445 -6.170 1.00 1.01 H new ATOM 0 HB3 GLU A 134 -7.718 6.318 -6.047 1.00 1.01 H new ATOM 0 HG2 GLU A 134 -7.951 6.987 -8.478 1.00 1.10 H new ATOM 0 HG3 GLU A 134 -9.511 6.190 -8.520 1.00 1.10 H new ATOM 1992 N VAL A 135 -6.217 3.156 -5.815 1.00 0.90 N ATOM 1993 CA VAL A 135 -5.971 2.347 -4.633 1.00 0.89 C ATOM 1994 C VAL A 135 -5.957 3.256 -3.402 1.00 0.96 C ATOM 1995 O VAL A 135 -4.933 3.837 -3.061 1.00 1.58 O ATOM 1996 CB VAL A 135 -4.736 1.436 -4.786 1.00 0.93 C ATOM 1997 CG1 VAL A 135 -4.952 0.478 -5.952 1.00 1.03 C ATOM 1998 CG2 VAL A 135 -3.378 2.110 -5.024 1.00 1.21 C ATOM 0 H VAL A 135 -5.372 3.448 -6.306 1.00 0.90 H new ATOM 0 HA VAL A 135 -6.785 1.635 -4.496 1.00 0.89 H new ATOM 0 HB VAL A 135 -4.667 0.958 -3.809 1.00 0.93 H new ATOM 0 HG11 VAL A 135 -4.079 -0.166 -6.060 1.00 1.03 H new ATOM 0 HG12 VAL A 135 -5.833 -0.134 -5.761 1.00 1.03 H new ATOM 0 HG13 VAL A 135 -5.098 1.048 -6.869 1.00 1.03 H new ATOM 0 HG21 VAL A 135 -2.604 1.348 -5.112 1.00 1.21 H new ATOM 0 HG22 VAL A 135 -3.418 2.694 -5.943 1.00 1.21 H new ATOM 0 HG23 VAL A 135 -3.146 2.767 -4.186 1.00 1.21 H new ATOM 2008 N ALA A 136 -7.114 3.437 -2.764 1.00 0.72 N ATOM 2009 CA ALA A 136 -7.229 4.265 -1.569 1.00 0.80 C ATOM 2010 C ALA A 136 -6.748 3.468 -0.355 1.00 0.76 C ATOM 2011 O ALA A 136 -7.150 2.317 -0.188 1.00 0.74 O ATOM 2012 CB ALA A 136 -8.684 4.705 -1.393 1.00 0.92 C ATOM 0 H ALA A 136 -7.993 3.014 -3.062 1.00 0.72 H new ATOM 0 HA ALA A 136 -6.609 5.156 -1.668 1.00 0.80 H new ATOM 0 HB1 ALA A 136 -8.771 5.324 -0.500 1.00 0.92 H new ATOM 0 HB2 ALA A 136 -8.999 5.279 -2.265 1.00 0.92 H new ATOM 0 HB3 ALA A 136 -9.320 3.826 -1.289 1.00 0.92 H new ATOM 2018 N GLY A 137 -5.877 4.042 0.481 1.00 0.78 N ATOM 2019 CA GLY A 137 -5.371 3.350 1.657 1.00 0.73 C ATOM 2020 C GLY A 137 -4.861 4.304 2.730 1.00 0.77 C ATOM 2021 O GLY A 137 -4.806 5.521 2.534 1.00 0.90 O ATOM 0 H GLY A 137 -5.511 4.986 0.359 1.00 0.78 H new ATOM 0 HA2 GLY A 137 -6.163 2.729 2.076 1.00 0.73 H new ATOM 0 HA3 GLY A 137 -4.564 2.680 1.360 1.00 0.73 H new ATOM 2025 N SER A 138 -4.409 3.740 3.848 1.00 0.74 N ATOM 2026 CA SER A 138 -3.504 4.435 4.743 1.00 0.89 C ATOM 2027 C SER A 138 -2.652 3.398 5.465 1.00 0.62 C ATOM 2028 O SER A 138 -3.118 2.285 5.721 1.00 0.63 O ATOM 2029 CB SER A 138 -4.288 5.322 5.718 1.00 1.28 C ATOM 2030 OG SER A 138 -3.417 6.016 6.590 1.00 2.56 O ATOM 0 H SER A 138 -4.660 2.799 4.151 1.00 0.74 H new ATOM 0 HA SER A 138 -2.846 5.098 4.181 1.00 0.89 H new ATOM 0 HB2 SER A 138 -4.892 6.036 5.159 1.00 1.28 H new ATOM 0 HB3 SER A 138 -4.976 4.708 6.299 1.00 1.28 H new ATOM 0 HG SER A 138 -2.577 6.212 6.125 1.00 2.56 H new ATOM 2036 N ALA A 139 -1.402 3.754 5.771 1.00 0.67 N ATOM 2037 CA ALA A 139 -0.590 3.056 6.748 1.00 0.53 C ATOM 2038 C ALA A 139 -0.496 3.820 8.067 1.00 0.52 C ATOM 2039 O ALA A 139 -0.447 5.045 8.082 1.00 0.70 O ATOM 2040 CB ALA A 139 0.789 2.723 6.170 1.00 0.78 C ATOM 0 H ALA A 139 -0.927 4.546 5.337 1.00 0.67 H new ATOM 0 HA ALA A 139 -1.085 2.113 6.979 1.00 0.53 H new ATOM 0 HB1 ALA A 139 1.381 2.199 6.920 1.00 0.78 H new ATOM 0 HB2 ALA A 139 0.672 2.088 5.292 1.00 0.78 H new ATOM 0 HB3 ALA A 139 1.297 3.645 5.886 1.00 0.78 H new ATOM 2046 N GLU A 140 -0.464 3.056 9.161 1.00 0.62 N ATOM 2047 CA GLU A 140 -0.142 3.466 10.520 1.00 0.82 C ATOM 2048 C GLU A 140 1.293 2.990 10.746 1.00 0.82 C ATOM 2049 O GLU A 140 1.547 1.797 10.925 1.00 1.03 O ATOM 2050 CB GLU A 140 -1.159 2.837 11.488 1.00 1.08 C ATOM 2051 CG GLU A 140 -0.707 2.665 12.949 1.00 1.59 C ATOM 2052 CD GLU A 140 -0.573 3.935 13.777 1.00 2.26 C ATOM 2053 OE1 GLU A 140 -0.348 5.033 13.232 1.00 3.44 O ATOM 2054 OE2 GLU A 140 -0.668 3.793 15.018 1.00 2.86 O ATOM 0 H GLU A 140 -0.680 2.060 9.111 1.00 0.62 H new ATOM 0 HA GLU A 140 -0.203 4.541 10.688 1.00 0.82 H new ATOM 0 HB2 GLU A 140 -2.060 3.450 11.481 1.00 1.08 H new ATOM 0 HB3 GLU A 140 -1.437 1.857 11.100 1.00 1.08 H new ATOM 0 HG2 GLU A 140 -1.416 2.006 13.449 1.00 1.59 H new ATOM 0 HG3 GLU A 140 0.256 2.155 12.949 1.00 1.59 H new ATOM 2061 N VAL A 141 2.242 3.918 10.669 1.00 0.84 N ATOM 2062 CA VAL A 141 3.663 3.633 10.574 1.00 0.85 C ATOM 2063 C VAL A 141 4.333 4.409 11.684 1.00 0.81 C ATOM 2064 O VAL A 141 4.680 5.570 11.500 1.00 1.14 O ATOM 2065 CB VAL A 141 4.193 4.069 9.202 1.00 1.15 C ATOM 2066 CG1 VAL A 141 5.668 3.685 9.030 1.00 1.46 C ATOM 2067 CG2 VAL A 141 3.321 3.468 8.098 1.00 2.20 C ATOM 0 H VAL A 141 2.034 4.917 10.671 1.00 0.84 H new ATOM 0 HA VAL A 141 3.866 2.567 10.675 1.00 0.85 H new ATOM 0 HB VAL A 141 4.139 5.155 9.131 1.00 1.15 H new ATOM 0 HG11 VAL A 141 6.016 4.007 8.048 1.00 1.46 H new ATOM 0 HG12 VAL A 141 6.263 4.171 9.803 1.00 1.46 H new ATOM 0 HG13 VAL A 141 5.775 2.604 9.116 1.00 1.46 H new ATOM 0 HG21 VAL A 141 3.700 3.780 7.125 1.00 2.20 H new ATOM 0 HG22 VAL A 141 3.346 2.380 8.166 1.00 2.20 H new ATOM 0 HG23 VAL A 141 2.294 3.815 8.216 1.00 2.20 H new ATOM 2077 N LYS A 142 4.486 3.787 12.848 1.00 0.95 N ATOM 2078 CA LYS A 142 5.014 4.482 14.007 1.00 0.95 C ATOM 2079 C LYS A 142 6.432 3.982 14.197 1.00 1.07 C ATOM 2080 O LYS A 142 6.680 2.804 13.965 1.00 1.52 O ATOM 2081 CB LYS A 142 4.116 4.232 15.223 1.00 1.05 C ATOM 2082 CG LYS A 142 4.285 2.834 15.829 1.00 1.16 C ATOM 2083 CD LYS A 142 2.968 2.352 16.453 1.00 1.45 C ATOM 2084 CE LYS A 142 2.061 1.760 15.359 1.00 2.81 C ATOM 2085 NZ LYS A 142 0.644 1.666 15.767 1.00 3.37 N ATOM 0 H LYS A 142 4.252 2.807 13.010 1.00 0.95 H new ATOM 0 HA LYS A 142 5.030 5.564 13.873 1.00 0.95 H new ATOM 0 HB2 LYS A 142 4.334 4.979 15.986 1.00 1.05 H new ATOM 0 HB3 LYS A 142 3.075 4.370 14.931 1.00 1.05 H new ATOM 0 HG2 LYS A 142 4.606 2.134 15.058 1.00 1.16 H new ATOM 0 HG3 LYS A 142 5.067 2.853 16.588 1.00 1.16 H new ATOM 0 HD2 LYS A 142 3.170 1.601 17.217 1.00 1.45 H new ATOM 0 HD3 LYS A 142 2.463 3.182 16.947 1.00 1.45 H new ATOM 0 HE2 LYS A 142 2.134 2.376 14.463 1.00 2.81 H new ATOM 0 HE3 LYS A 142 2.423 0.767 15.094 1.00 2.81 H new ATOM 0 HZ1 LYS A 142 0.146 1.001 15.141 1.00 3.37 H new ATOM 0 HZ2 LYS A 142 0.587 1.327 16.748 1.00 3.37 H new ATOM 0 HZ3 LYS A 142 0.200 2.604 15.699 1.00 3.37 H new ATOM 2099 N THR A 143 7.358 4.852 14.578 1.00 1.14 N ATOM 2100 CA THR A 143 8.676 4.452 15.064 1.00 1.34 C ATOM 2101 C THR A 143 9.379 5.746 15.484 1.00 1.16 C ATOM 2102 O THR A 143 8.750 6.806 15.450 1.00 1.03 O ATOM 2103 CB THR A 143 9.469 3.593 14.054 1.00 1.65 C ATOM 2104 OG1 THR A 143 10.808 3.380 14.460 1.00 2.72 O ATOM 2105 CG2 THR A 143 9.453 4.102 12.620 1.00 1.99 C ATOM 0 H THR A 143 7.217 5.862 14.559 1.00 1.14 H new ATOM 0 HA THR A 143 8.592 3.778 15.917 1.00 1.34 H new ATOM 0 HB THR A 143 8.929 2.646 14.056 1.00 1.65 H new ATOM 0 HG1 THR A 143 11.402 3.465 13.685 1.00 2.72 H new ATOM 0 HG21 THR A 143 10.037 3.431 11.989 1.00 1.99 H new ATOM 0 HG22 THR A 143 8.425 4.138 12.258 1.00 1.99 H new ATOM 0 HG23 THR A 143 9.885 5.102 12.584 1.00 1.99 H new ATOM 2113 N VAL A 144 10.671 5.665 15.811 1.00 1.25 N ATOM 2114 CA VAL A 144 11.535 6.790 16.149 1.00 1.23 C ATOM 2115 C VAL A 144 11.325 7.940 15.160 1.00 1.14 C ATOM 2116 O VAL A 144 11.266 9.097 15.563 1.00 1.18 O ATOM 2117 CB VAL A 144 13.007 6.333 16.186 1.00 1.40 C ATOM 2118 CG1 VAL A 144 13.929 7.482 16.624 1.00 1.78 C ATOM 2119 CG2 VAL A 144 13.208 5.165 17.164 1.00 1.80 C ATOM 0 H VAL A 144 11.162 4.772 15.848 1.00 1.25 H new ATOM 0 HA VAL A 144 11.273 7.158 17.141 1.00 1.23 H new ATOM 0 HB VAL A 144 13.259 6.013 15.175 1.00 1.40 H new ATOM 0 HG11 VAL A 144 14.962 7.133 16.642 1.00 1.78 H new ATOM 0 HG12 VAL A 144 13.838 8.310 15.921 1.00 1.78 H new ATOM 0 HG13 VAL A 144 13.643 7.819 17.620 1.00 1.78 H new ATOM 0 HG21 VAL A 144 14.257 4.868 17.165 1.00 1.80 H new ATOM 0 HG22 VAL A 144 12.918 5.477 18.167 1.00 1.80 H new ATOM 0 HG23 VAL A 144 12.592 4.321 16.854 1.00 1.80 H new ATOM 2129 N ASN A 145 11.160 7.611 13.873 1.00 1.12 N ATOM 2130 CA ASN A 145 10.700 8.572 12.877 1.00 1.12 C ATOM 2131 C ASN A 145 9.656 7.885 12.003 1.00 1.09 C ATOM 2132 O ASN A 145 9.764 7.873 10.781 1.00 1.27 O ATOM 2133 CB ASN A 145 11.869 9.071 12.009 1.00 1.42 C ATOM 2134 CG ASN A 145 13.080 9.528 12.810 1.00 1.58 C ATOM 2135 OD1 ASN A 145 13.231 10.706 13.117 1.00 2.58 O ATOM 2136 ND2 ASN A 145 13.969 8.591 13.126 1.00 1.56 N ATOM 0 H ASN A 145 11.341 6.679 13.500 1.00 1.12 H new ATOM 0 HA ASN A 145 10.269 9.439 13.378 1.00 1.12 H new ATOM 0 HB2 ASN A 145 12.173 8.272 11.333 1.00 1.42 H new ATOM 0 HB3 ASN A 145 11.522 9.898 11.390 1.00 1.42 H new ATOM 0 HD21 ASN A 145 14.813 8.842 13.642 1.00 1.56 H new ATOM 0 HD22 ASN A 145 13.807 7.622 12.853 1.00 1.56 H new ATOM 2143 N GLY A 146 8.610 7.340 12.623 1.00 1.00 N ATOM 2144 CA GLY A 146 7.500 6.758 11.891 1.00 1.05 C ATOM 2145 C GLY A 146 6.376 7.762 11.910 1.00 0.71 C ATOM 2146 O GLY A 146 5.791 8.013 12.965 1.00 0.80 O ATOM 0 H GLY A 146 8.514 7.292 13.637 1.00 1.00 H new ATOM 0 HA2 GLY A 146 7.793 6.529 10.867 1.00 1.05 H new ATOM 0 HA3 GLY A 146 7.186 5.821 12.350 1.00 1.05 H new ATOM 2150 N ILE A 147 6.080 8.342 10.752 1.00 0.60 N ATOM 2151 CA ILE A 147 5.170 9.461 10.656 1.00 0.79 C ATOM 2152 C ILE A 147 3.720 8.965 10.562 1.00 1.05 C ATOM 2153 O ILE A 147 3.001 9.284 9.612 1.00 1.99 O ATOM 2154 CB ILE A 147 5.598 10.369 9.478 1.00 1.09 C ATOM 2155 CG1 ILE A 147 5.856 9.602 8.160 1.00 1.26 C ATOM 2156 CG2 ILE A 147 6.807 11.221 9.878 1.00 1.97 C ATOM 2157 CD1 ILE A 147 7.313 9.216 7.858 1.00 1.21 C ATOM 0 H ILE A 147 6.468 8.044 9.857 1.00 0.60 H new ATOM 0 HA ILE A 147 5.216 10.070 11.559 1.00 0.79 H new ATOM 0 HB ILE A 147 4.753 11.024 9.266 1.00 1.09 H new ATOM 0 HG12 ILE A 147 5.259 8.690 8.175 1.00 1.26 H new ATOM 0 HG13 ILE A 147 5.488 10.211 7.335 1.00 1.26 H new ATOM 0 HG21 ILE A 147 7.098 11.855 9.041 1.00 1.97 H new ATOM 0 HG22 ILE A 147 6.545 11.845 10.732 1.00 1.97 H new ATOM 0 HG23 ILE A 147 7.639 10.569 10.146 1.00 1.97 H new ATOM 0 HD11 ILE A 147 7.359 8.684 6.908 1.00 1.21 H new ATOM 0 HD12 ILE A 147 7.923 10.117 7.799 1.00 1.21 H new ATOM 0 HD13 ILE A 147 7.691 8.573 8.653 1.00 1.21 H new ATOM 2169 N ARG A 148 3.322 8.214 11.596 1.00 0.74 N ATOM 2170 CA ARG A 148 2.094 7.444 11.766 1.00 0.77 C ATOM 2171 C ARG A 148 1.199 7.351 10.544 1.00 0.93 C ATOM 2172 O ARG A 148 1.349 6.425 9.754 1.00 1.54 O ATOM 2173 CB ARG A 148 1.323 7.914 12.999 1.00 1.03 C ATOM 2174 CG ARG A 148 1.997 7.367 14.255 1.00 1.78 C ATOM 2175 CD ARG A 148 1.091 7.626 15.459 1.00 1.99 C ATOM 2176 NE ARG A 148 -0.081 6.737 15.390 1.00 1.85 N ATOM 2177 CZ ARG A 148 -1.158 6.785 16.185 1.00 2.04 C ATOM 2178 NH1 ARG A 148 -1.374 7.849 16.966 1.00 2.59 N ATOM 2179 NH2 ARG A 148 -1.997 5.749 16.207 1.00 2.53 N ATOM 0 H ARG A 148 3.919 8.125 12.418 1.00 0.74 H new ATOM 0 HA ARG A 148 2.429 6.418 11.918 1.00 0.77 H new ATOM 0 HB2 ARG A 148 1.296 9.003 13.032 1.00 1.03 H new ATOM 0 HB3 ARG A 148 0.290 7.571 12.948 1.00 1.03 H new ATOM 0 HG2 ARG A 148 2.184 6.299 14.147 1.00 1.78 H new ATOM 0 HG3 ARG A 148 2.965 7.846 14.402 1.00 1.78 H new ATOM 0 HD2 ARG A 148 1.639 7.452 16.385 1.00 1.99 H new ATOM 0 HD3 ARG A 148 0.771 8.668 15.470 1.00 1.99 H new ATOM 0 HE ARG A 148 -0.072 6.016 14.668 1.00 1.85 H new ATOM 0 HH11 ARG A 148 -0.717 8.629 16.958 1.00 2.59 H new ATOM 0 HH12 ARG A 148 -2.196 7.880 17.569 1.00 2.59 H new ATOM 0 HH21 ARG A 148 -1.815 4.933 15.623 1.00 2.53 H new ATOM 0 HH22 ARG A 148 -2.821 5.773 16.808 1.00 2.53 H new ATOM 2193 N HIS A 149 0.217 8.245 10.460 1.00 0.79 N ATOM 2194 CA HIS A 149 -0.890 8.141 9.534 1.00 1.10 C ATOM 2195 C HIS A 149 -0.432 8.564 8.146 1.00 1.00 C ATOM 2196 O HIS A 149 -0.666 9.690 7.714 1.00 1.31 O ATOM 2197 CB HIS A 149 -2.060 8.958 10.089 1.00 1.46 C ATOM 2198 CG HIS A 149 -2.477 8.442 11.448 1.00 1.66 C ATOM 2199 ND1 HIS A 149 -2.572 7.113 11.798 1.00 3.38 N ATOM 2200 CD2 HIS A 149 -2.631 9.179 12.593 1.00 1.00 C ATOM 2201 CE1 HIS A 149 -2.804 7.055 13.118 1.00 3.02 C ATOM 2202 NE2 HIS A 149 -2.839 8.288 13.653 1.00 1.25 N ATOM 0 H HIS A 149 0.175 9.076 11.049 1.00 0.79 H new ATOM 0 HA HIS A 149 -1.241 7.114 9.429 1.00 1.10 H new ATOM 0 HB2 HIS A 149 -1.773 10.007 10.165 1.00 1.46 H new ATOM 0 HB3 HIS A 149 -2.904 8.907 9.401 1.00 1.46 H new ATOM 0 HD2 HIS A 149 -2.598 10.256 12.665 1.00 1.00 H new ATOM 0 HE1 HIS A 149 -2.944 6.141 13.676 1.00 3.02 H new ATOM 0 HE2 HIS A 149 -2.987 8.526 14.634 1.00 1.25 H new ATOM 2210 N ILE A 150 0.226 7.636 7.455 1.00 0.92 N ATOM 2211 CA ILE A 150 0.656 7.827 6.090 1.00 0.86 C ATOM 2212 C ILE A 150 -0.580 7.614 5.212 1.00 0.96 C ATOM 2213 O ILE A 150 -1.093 6.497 5.122 1.00 1.22 O ATOM 2214 CB ILE A 150 1.809 6.867 5.745 1.00 0.90 C ATOM 2215 CG1 ILE A 150 2.964 7.020 6.753 1.00 1.08 C ATOM 2216 CG2 ILE A 150 2.290 7.129 4.315 1.00 1.31 C ATOM 2217 CD1 ILE A 150 4.294 6.425 6.280 1.00 1.30 C ATOM 0 H ILE A 150 0.474 6.724 7.839 1.00 0.92 H new ATOM 0 HA ILE A 150 1.054 8.828 5.925 1.00 0.86 H new ATOM 0 HB ILE A 150 1.448 5.841 5.809 1.00 0.90 H new ATOM 0 HG12 ILE A 150 3.108 8.079 6.965 1.00 1.08 H new ATOM 0 HG13 ILE A 150 2.679 6.543 7.691 1.00 1.08 H new ATOM 0 HG21 ILE A 150 3.106 6.447 4.075 1.00 1.31 H new ATOM 0 HG22 ILE A 150 1.467 6.969 3.619 1.00 1.31 H new ATOM 0 HG23 ILE A 150 2.640 8.158 4.232 1.00 1.31 H new ATOM 0 HD11 ILE A 150 5.053 6.575 7.048 1.00 1.30 H new ATOM 0 HD12 ILE A 150 4.170 5.358 6.096 1.00 1.30 H new ATOM 0 HD13 ILE A 150 4.606 6.918 5.359 1.00 1.30 H new ATOM 2229 N GLY A 151 -1.088 8.685 4.602 1.00 0.79 N ATOM 2230 CA GLY A 151 -2.250 8.651 3.735 1.00 0.84 C ATOM 2231 C GLY A 151 -1.827 8.148 2.361 1.00 0.70 C ATOM 2232 O GLY A 151 -0.905 8.693 1.755 1.00 0.78 O ATOM 0 H GLY A 151 -0.689 9.618 4.704 1.00 0.79 H new ATOM 0 HA2 GLY A 151 -3.015 7.999 4.156 1.00 0.84 H new ATOM 0 HA3 GLY A 151 -2.689 9.646 3.654 1.00 0.84 H new ATOM 2236 N LEU A 152 -2.475 7.085 1.879 1.00 0.71 N ATOM 2237 CA LEU A 152 -2.136 6.440 0.626 1.00 0.83 C ATOM 2238 C LEU A 152 -3.202 6.836 -0.394 1.00 0.65 C ATOM 2239 O LEU A 152 -4.295 6.267 -0.415 1.00 0.85 O ATOM 2240 CB LEU A 152 -2.019 4.935 0.893 1.00 1.17 C ATOM 2241 CG LEU A 152 -1.444 4.055 -0.214 1.00 1.08 C ATOM 2242 CD1 LEU A 152 -2.310 4.035 -1.467 1.00 0.87 C ATOM 2243 CD2 LEU A 152 0.005 4.381 -0.555 1.00 1.39 C ATOM 0 H LEU A 152 -3.260 6.648 2.362 1.00 0.71 H new ATOM 0 HA LEU A 152 -1.178 6.751 0.210 1.00 0.83 H new ATOM 0 HB2 LEU A 152 -1.402 4.800 1.782 1.00 1.17 H new ATOM 0 HB3 LEU A 152 -3.013 4.560 1.135 1.00 1.17 H new ATOM 0 HG LEU A 152 -1.451 3.048 0.202 1.00 1.08 H new ATOM 0 HD11 LEU A 152 -1.849 3.393 -2.218 1.00 0.87 H new ATOM 0 HD12 LEU A 152 -3.300 3.651 -1.219 1.00 0.87 H new ATOM 0 HD13 LEU A 152 -2.402 5.047 -1.862 1.00 0.87 H new ATOM 0 HD21 LEU A 152 0.350 3.718 -1.349 1.00 1.39 H new ATOM 0 HD22 LEU A 152 0.076 5.416 -0.890 1.00 1.39 H new ATOM 0 HD23 LEU A 152 0.627 4.242 0.329 1.00 1.39 H new ATOM 2255 N ALA A 153 -2.879 7.842 -1.214 1.00 0.61 N ATOM 2256 CA ALA A 153 -3.701 8.288 -2.332 1.00 0.74 C ATOM 2257 C ALA A 153 -3.088 7.744 -3.622 1.00 0.61 C ATOM 2258 O ALA A 153 -1.902 7.417 -3.645 1.00 0.73 O ATOM 2259 CB ALA A 153 -3.775 9.817 -2.342 1.00 1.05 C ATOM 0 H ALA A 153 -2.017 8.378 -1.112 1.00 0.61 H new ATOM 0 HA ALA A 153 -4.720 7.913 -2.239 1.00 0.74 H new ATOM 0 HB1 ALA A 153 -4.390 10.146 -3.179 1.00 1.05 H new ATOM 0 HB2 ALA A 153 -4.216 10.166 -1.408 1.00 1.05 H new ATOM 0 HB3 ALA A 153 -2.771 10.229 -2.445 1.00 1.05 H new ATOM 2265 N ALA A 154 -3.883 7.616 -4.689 1.00 0.87 N ATOM 2266 CA ALA A 154 -3.477 6.854 -5.860 1.00 0.64 C ATOM 2267 C ALA A 154 -4.129 7.349 -7.139 1.00 0.70 C ATOM 2268 O ALA A 154 -5.126 8.075 -7.111 1.00 1.27 O ATOM 2269 CB ALA A 154 -3.848 5.395 -5.639 1.00 1.18 C ATOM 0 H ALA A 154 -4.811 8.033 -4.760 1.00 0.87 H new ATOM 0 HA ALA A 154 -2.401 6.977 -5.982 1.00 0.64 H new ATOM 0 HB1 ALA A 154 -3.551 4.808 -6.508 1.00 1.18 H new ATOM 0 HB2 ALA A 154 -3.334 5.019 -4.754 1.00 1.18 H new ATOM 0 HB3 ALA A 154 -4.925 5.311 -5.496 1.00 1.18 H new ATOM 2275 N LYS A 155 -3.578 6.923 -8.275 1.00 0.80 N ATOM 2276 CA LYS A 155 -4.190 7.147 -9.569 1.00 0.92 C ATOM 2277 C LYS A 155 -3.684 6.076 -10.530 1.00 1.34 C ATOM 2278 O LYS A 155 -2.542 6.148 -10.981 1.00 1.80 O ATOM 2279 CB LYS A 155 -3.893 8.577 -10.046 1.00 1.59 C ATOM 2280 CG LYS A 155 -4.916 9.026 -11.098 1.00 2.15 C ATOM 2281 CD LYS A 155 -5.497 10.418 -10.798 1.00 1.94 C ATOM 2282 CE LYS A 155 -6.150 10.611 -9.413 1.00 2.48 C ATOM 2283 NZ LYS A 155 -6.734 9.378 -8.849 1.00 3.58 N ATOM 0 H LYS A 155 -2.695 6.414 -8.316 1.00 0.80 H new ATOM 0 HA LYS A 155 -5.275 7.062 -9.515 1.00 0.92 H new ATOM 0 HB2 LYS A 155 -3.915 9.260 -9.197 1.00 1.59 H new ATOM 0 HB3 LYS A 155 -2.888 8.623 -10.467 1.00 1.59 H new ATOM 0 HG2 LYS A 155 -4.442 9.038 -12.079 1.00 2.15 H new ATOM 0 HG3 LYS A 155 -5.727 8.300 -11.144 1.00 2.15 H new ATOM 0 HD2 LYS A 155 -4.697 11.151 -10.902 1.00 1.94 H new ATOM 0 HD3 LYS A 155 -6.241 10.648 -11.560 1.00 1.94 H new ATOM 0 HE2 LYS A 155 -5.402 10.997 -8.720 1.00 2.48 H new ATOM 0 HE3 LYS A 155 -6.931 11.367 -9.493 1.00 2.48 H new ATOM 0 HZ1 LYS A 155 -7.429 9.627 -8.116 1.00 3.58 H new ATOM 0 HZ2 LYS A 155 -7.205 8.840 -9.604 1.00 3.58 H new ATOM 0 HZ3 LYS A 155 -5.980 8.797 -8.429 1.00 3.58 H new ATOM 2297 N GLN A 156 -4.504 5.055 -10.768 1.00 1.66 N ATOM 2298 CA GLN A 156 -4.153 3.937 -11.603 1.00 2.45 C ATOM 2299 C GLN A 156 -4.356 4.280 -13.084 1.00 2.90 C ATOM 2300 O GLN A 156 -3.945 3.440 -13.917 1.00 4.14 O ATOM 2301 CB GLN A 156 -5.049 2.789 -11.154 1.00 3.07 C ATOM 2302 CG GLN A 156 -4.975 2.590 -9.630 1.00 3.36 C ATOM 2303 CD GLN A 156 -5.893 1.471 -9.192 1.00 3.89 C ATOM 2304 OE1 GLN A 156 -6.876 1.655 -8.485 1.00 5.33 O ATOM 2305 NE2 GLN A 156 -5.565 0.266 -9.587 1.00 3.52 N ATOM 0 H GLN A 156 -5.443 4.992 -10.374 1.00 1.66 H new ATOM 0 HA GLN A 156 -3.102 3.667 -11.504 1.00 2.45 H new ATOM 0 HB2 GLN A 156 -6.079 2.992 -11.448 1.00 3.07 H new ATOM 0 HB3 GLN A 156 -4.749 1.871 -11.659 1.00 3.07 H new ATOM 0 HG2 GLN A 156 -3.950 2.362 -9.337 1.00 3.36 H new ATOM 0 HG3 GLN A 156 -5.253 3.514 -9.124 1.00 3.36 H new ATOM 0 HE21 GLN A 156 -4.743 0.128 -10.176 1.00 3.52 H new ATOM 0 HE22 GLN A 156 -6.131 -0.535 -9.306 1.00 3.52 H new