USER MOD reduce.3.24.130724 H: found=0, std=0, add=1086, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1081 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 Single : A 1 GLU N :NH3+ -113:sc= 0.115 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0709 K(o=-0.071,f=-0.88) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.14 K(o=-0.14,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 84:sc= 0.581 USER MOD Single : A 19 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.1) USER MOD Single : A 20 SER OG : rot -150:sc= 1.77 USER MOD Single : A 22 THR OG1 : rot 81:sc= 0.852 USER MOD Single : A 24 GLN : amide:sc= -0.0943 X(o=-0.094,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -152:sc= -0.0496 (180deg=-2.06!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 150:sc= -1.04 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.166 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0445 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -157:sc=-0.00706 (180deg=-0.217) USER MOD Single : A 43 THR OG1 : rot -82:sc= 0.879 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0201 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 60:sc= 1.16 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.27) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -160:sc= -0.936 USER MOD Single : A 62 HIS : no HD1:sc= -0.0443 X(o=-0.044,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -3.28 X(o=-3.3,f=-3.4!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc=-0.00179 X(o=-0.0018,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.379 K(o=-0.38,f=-3.7!) USER MOD Single : A 78 HIS : no HD1:sc= -0.0425 X(o=-0.043,f=0) USER MOD Single : A 80 HIS : no HD1:sc= 0.658 K(o=0.66,f=-6.5!) USER MOD Single : A 81 LYS NZ :NH3+ 147:sc= -0.245 (180deg=-1.59!) USER MOD Single : A 82 GLN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.057 K(o=-0.057,f=-1.4!) USER MOD Single : A 101 ASN :FLIP amide:sc= -4.75! C(o=-5.4!,f=-4.8!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot -170:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= -0.613 K(o=-0.61,f=-2.1!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot -62:sc= -0.865 USER MOD Single : A 124 MET CE :methyl -166:sc= -4.01! (180deg=-4.79!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot 100:sc= -0.122 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000609) USER MOD Single : A 132 SER OG : rot 180:sc= -0.0159 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -14.366 17.583 5.692 1.00 5.92 N ATOM 2 CA GLU A 1 -15.851 17.466 5.647 1.00 4.47 C ATOM 3 C GLU A 1 -16.242 16.210 4.867 1.00 4.39 C ATOM 4 O GLU A 1 -15.401 15.513 4.334 1.00 5.32 O ATOM 5 CB GLU A 1 -16.441 18.694 4.952 1.00 4.07 C ATOM 6 CG GLU A 1 -16.474 19.870 5.929 1.00 4.49 C ATOM 7 CD GLU A 1 -17.659 20.777 5.592 1.00 4.37 C ATOM 8 OE1 GLU A 1 -18.703 20.249 5.246 1.00 3.72 O ATOM 9 OE2 GLU A 1 -17.502 21.983 5.686 1.00 5.27 O ATOM 0 H1 GLU A 1 -14.037 17.454 6.670 1.00 5.92 H new ATOM 0 H2 GLU A 1 -13.942 16.853 5.085 1.00 5.92 H new ATOM 0 H3 GLU A 1 -14.081 18.524 5.352 1.00 5.92 H new ATOM 0 HA GLU A 1 -16.237 17.401 6.664 1.00 4.47 H new ATOM 0 HB2 GLU A 1 -15.844 18.951 4.077 1.00 4.07 H new ATOM 0 HB3 GLU A 1 -17.448 18.475 4.597 1.00 4.07 H new ATOM 0 HG2 GLU A 1 -16.561 19.505 6.952 1.00 4.49 H new ATOM 0 HG3 GLU A 1 -15.542 20.433 5.869 1.00 4.49 H new ATOM 18 N ALA A 2 -17.511 15.919 4.793 1.00 3.62 N ATOM 19 CA ALA A 2 -17.956 14.710 4.044 1.00 3.89 C ATOM 20 C ALA A 2 -19.102 15.091 3.105 1.00 4.15 C ATOM 21 O ALA A 2 -19.711 16.134 3.243 1.00 4.67 O ATOM 22 CB ALA A 2 -18.437 13.646 5.031 1.00 3.49 C ATOM 0 H ALA A 2 -18.259 16.466 5.219 1.00 3.62 H new ATOM 0 HA ALA A 2 -17.124 14.313 3.463 1.00 3.89 H new ATOM 0 HB1 ALA A 2 -18.762 12.762 4.483 1.00 3.49 H new ATOM 0 HB2 ALA A 2 -17.621 13.377 5.702 1.00 3.49 H new ATOM 0 HB3 ALA A 2 -19.271 14.040 5.613 1.00 3.49 H new ATOM 28 N GLU A 3 -19.404 14.254 2.151 1.00 4.43 N ATOM 29 CA GLU A 3 -20.511 14.570 1.207 1.00 5.19 C ATOM 30 C GLU A 3 -20.931 13.294 0.477 1.00 5.02 C ATOM 31 O GLU A 3 -22.100 12.978 0.384 1.00 4.78 O ATOM 32 CB GLU A 3 -20.036 15.609 0.192 1.00 6.73 C ATOM 33 CG GLU A 3 -20.773 16.928 0.431 1.00 7.31 C ATOM 34 CD GLU A 3 -20.004 18.069 -0.237 1.00 8.94 C ATOM 35 OE1 GLU A 3 -19.893 18.051 -1.452 1.00 9.96 O ATOM 36 OE2 GLU A 3 -19.538 18.941 0.477 1.00 9.26 O ATOM 0 H GLU A 3 -18.932 13.365 1.985 1.00 4.43 H new ATOM 0 HA GLU A 3 -21.361 14.970 1.760 1.00 5.19 H new ATOM 0 HB2 GLU A 3 -18.960 15.759 0.285 1.00 6.73 H new ATOM 0 HB3 GLU A 3 -20.222 15.254 -0.822 1.00 6.73 H new ATOM 0 HG2 GLU A 3 -21.784 16.871 0.027 1.00 7.31 H new ATOM 0 HG3 GLU A 3 -20.867 17.116 1.501 1.00 7.31 H new ATOM 43 N ALA A 4 -19.986 12.557 -0.037 1.00 5.32 N ATOM 44 CA ALA A 4 -20.330 11.298 -0.756 1.00 5.28 C ATOM 45 C ALA A 4 -21.051 10.347 0.204 1.00 4.10 C ATOM 46 O ALA A 4 -21.493 10.738 1.266 1.00 3.72 O ATOM 47 CB ALA A 4 -19.049 10.636 -1.266 1.00 5.71 C ATOM 0 H ALA A 4 -18.990 12.772 0.010 1.00 5.32 H new ATOM 0 HA ALA A 4 -20.981 11.525 -1.601 1.00 5.28 H new ATOM 0 HB1 ALA A 4 -19.300 9.715 -1.792 1.00 5.71 H new ATOM 0 HB2 ALA A 4 -18.535 11.314 -1.947 1.00 5.71 H new ATOM 0 HB3 ALA A 4 -18.398 10.406 -0.423 1.00 5.71 H new ATOM 53 N HIS A 5 -21.176 9.101 -0.159 1.00 3.86 N ATOM 54 CA HIS A 5 -21.874 8.135 0.737 1.00 3.23 C ATOM 55 C HIS A 5 -20.925 6.997 1.111 1.00 3.13 C ATOM 56 O HIS A 5 -20.506 6.874 2.245 1.00 2.75 O ATOM 57 CB HIS A 5 -23.095 7.565 0.015 1.00 3.83 C ATOM 58 CG HIS A 5 -24.070 8.673 -0.274 1.00 4.16 C ATOM 59 ND1 HIS A 5 -24.213 9.768 0.565 1.00 4.00 N ATOM 60 CD2 HIS A 5 -24.955 8.871 -1.304 1.00 5.25 C ATOM 61 CE1 HIS A 5 -25.153 10.568 0.029 1.00 5.10 C ATOM 62 NE2 HIS A 5 -25.637 10.069 -1.111 1.00 5.67 N ATOM 0 H HIS A 5 -20.827 8.710 -1.034 1.00 3.86 H new ATOM 0 HA HIS A 5 -22.192 8.649 1.644 1.00 3.23 H new ATOM 0 HB2 HIS A 5 -22.789 7.084 -0.914 1.00 3.83 H new ATOM 0 HB3 HIS A 5 -23.570 6.800 0.629 1.00 3.83 H new ATOM 0 HD2 HIS A 5 -25.100 8.200 -2.137 1.00 5.25 H new ATOM 0 HE1 HIS A 5 -25.477 11.500 0.468 1.00 5.10 H new ATOM 0 HE2 HIS A 5 -26.353 10.478 -1.712 1.00 5.67 H new ATOM 70 N LYS A 6 -20.586 6.158 0.171 1.00 4.00 N ATOM 71 CA LYS A 6 -19.670 5.026 0.488 1.00 4.26 C ATOM 72 C LYS A 6 -18.259 5.337 -0.008 1.00 3.19 C ATOM 73 O LYS A 6 -17.482 4.449 -0.299 1.00 3.60 O ATOM 74 CB LYS A 6 -20.185 3.752 -0.185 1.00 6.05 C ATOM 75 CG LYS A 6 -21.661 3.548 0.165 1.00 6.92 C ATOM 76 CD LYS A 6 -22.511 3.664 -1.101 1.00 8.22 C ATOM 77 CE LYS A 6 -23.878 3.019 -0.858 1.00 9.12 C ATOM 78 NZ LYS A 6 -24.951 3.888 -1.423 1.00 9.47 N ATOM 0 H LYS A 6 -20.902 6.207 -0.798 1.00 4.00 H new ATOM 0 HA LYS A 6 -19.640 4.882 1.568 1.00 4.26 H new ATOM 0 HB2 LYS A 6 -20.064 3.825 -1.266 1.00 6.05 H new ATOM 0 HB3 LYS A 6 -19.601 2.893 0.144 1.00 6.05 H new ATOM 0 HG2 LYS A 6 -21.804 2.569 0.623 1.00 6.92 H new ATOM 0 HG3 LYS A 6 -21.977 4.291 0.897 1.00 6.92 H new ATOM 0 HD2 LYS A 6 -22.635 4.712 -1.374 1.00 8.22 H new ATOM 0 HD3 LYS A 6 -22.009 3.174 -1.935 1.00 8.22 H new ATOM 0 HE2 LYS A 6 -23.913 2.033 -1.321 1.00 9.12 H new ATOM 0 HE3 LYS A 6 -24.038 2.875 0.210 1.00 9.12 H new ATOM 0 HZ1 LYS A 6 -25.878 3.447 -1.256 1.00 9.47 H new ATOM 0 HZ2 LYS A 6 -24.922 4.819 -0.961 1.00 9.47 H new ATOM 0 HZ3 LYS A 6 -24.801 4.004 -2.446 1.00 9.47 H new ATOM 92 N CYS A 7 -17.920 6.588 -0.094 1.00 1.94 N ATOM 93 CA CYS A 7 -16.553 6.960 -0.558 1.00 1.12 C ATOM 94 C CYS A 7 -16.406 8.478 -0.569 1.00 1.17 C ATOM 95 O CYS A 7 -16.520 9.112 -1.598 1.00 2.32 O ATOM 96 CB CYS A 7 -16.317 6.420 -1.970 1.00 1.94 C ATOM 97 SG CYS A 7 -17.845 6.540 -2.929 1.00 2.53 S ATOM 0 H CYS A 7 -18.529 7.373 0.137 1.00 1.94 H new ATOM 0 HA CYS A 7 -15.820 6.528 0.123 1.00 1.12 H new ATOM 0 HB2 CYS A 7 -15.524 6.986 -2.459 1.00 1.94 H new ATOM 0 HB3 CYS A 7 -15.986 5.383 -1.923 1.00 1.94 H new ATOM 102 N ASP A 8 -16.145 9.070 0.560 1.00 1.43 N ATOM 103 CA ASP A 8 -15.978 10.546 0.589 1.00 2.58 C ATOM 104 C ASP A 8 -14.732 10.909 -0.219 1.00 1.60 C ATOM 105 O ASP A 8 -14.271 10.138 -1.036 1.00 1.49 O ATOM 106 CB ASP A 8 -15.810 11.013 2.037 1.00 4.02 C ATOM 107 CG ASP A 8 -16.940 10.440 2.894 1.00 5.48 C ATOM 108 OD1 ASP A 8 -17.887 9.926 2.321 1.00 5.24 O ATOM 109 OD2 ASP A 8 -16.839 10.524 4.106 1.00 7.06 O ATOM 0 H ASP A 8 -16.041 8.599 1.459 1.00 1.43 H new ATOM 0 HA ASP A 8 -16.854 11.032 0.160 1.00 2.58 H new ATOM 0 HB2 ASP A 8 -14.845 10.688 2.425 1.00 4.02 H new ATOM 0 HB3 ASP A 8 -15.822 12.102 2.082 1.00 4.02 H new ATOM 114 N ILE A 9 -14.171 12.065 0.006 1.00 1.40 N ATOM 115 CA ILE A 9 -12.945 12.448 -0.751 1.00 0.84 C ATOM 116 C ILE A 9 -11.749 11.608 -0.270 1.00 0.75 C ATOM 117 O ILE A 9 -10.687 11.638 -0.860 1.00 0.74 O ATOM 118 CB ILE A 9 -12.639 13.932 -0.528 1.00 1.69 C ATOM 119 CG1 ILE A 9 -13.939 14.743 -0.552 1.00 1.37 C ATOM 120 CG2 ILE A 9 -11.716 14.432 -1.640 1.00 2.62 C ATOM 121 CD1 ILE A 9 -13.613 16.219 -0.788 1.00 2.50 C ATOM 0 H ILE A 9 -14.505 12.757 0.676 1.00 1.40 H new ATOM 0 HA ILE A 9 -13.115 12.266 -1.812 1.00 0.84 H new ATOM 0 HB ILE A 9 -12.154 14.055 0.441 1.00 1.69 H new ATOM 0 HG12 ILE A 9 -14.596 14.374 -1.339 1.00 1.37 H new ATOM 0 HG13 ILE A 9 -14.473 14.623 0.391 1.00 1.37 H new ATOM 0 HG21 ILE A 9 -11.497 15.488 -1.483 1.00 2.62 H new ATOM 0 HG22 ILE A 9 -10.787 13.862 -1.625 1.00 2.62 H new ATOM 0 HG23 ILE A 9 -12.206 14.302 -2.605 1.00 2.62 H new ATOM 0 HD11 ILE A 9 -14.537 16.797 -0.805 1.00 2.50 H new ATOM 0 HD12 ILE A 9 -12.972 16.583 0.015 1.00 2.50 H new ATOM 0 HD13 ILE A 9 -13.098 16.330 -1.742 1.00 2.50 H new ATOM 133 N THR A 10 -11.903 10.866 0.802 1.00 0.68 N ATOM 134 CA THR A 10 -10.770 10.045 1.312 1.00 0.60 C ATOM 135 C THR A 10 -10.479 8.883 0.361 1.00 0.50 C ATOM 136 O THR A 10 -9.339 8.545 0.115 1.00 0.38 O ATOM 137 CB THR A 10 -11.140 9.482 2.686 1.00 0.64 C ATOM 138 OG1 THR A 10 -11.560 10.544 3.532 1.00 0.75 O ATOM 139 CG2 THR A 10 -9.926 8.787 3.299 1.00 0.61 C ATOM 0 H THR A 10 -12.766 10.797 1.342 1.00 0.68 H new ATOM 0 HA THR A 10 -9.883 10.674 1.384 1.00 0.60 H new ATOM 0 HB THR A 10 -11.950 8.761 2.578 1.00 0.64 H new ATOM 0 HG1 THR A 10 -11.799 10.186 4.412 1.00 0.75 H new ATOM 0 HG21 THR A 10 -10.191 8.387 4.277 1.00 0.61 H new ATOM 0 HG22 THR A 10 -9.606 7.973 2.649 1.00 0.61 H new ATOM 0 HG23 THR A 10 -9.113 9.505 3.409 1.00 0.61 H new ATOM 147 N LEU A 11 -11.494 8.255 -0.165 1.00 0.61 N ATOM 148 CA LEU A 11 -11.254 7.106 -1.081 1.00 0.62 C ATOM 149 C LEU A 11 -10.702 7.601 -2.420 1.00 0.57 C ATOM 150 O LEU A 11 -9.812 6.999 -2.986 1.00 0.52 O ATOM 151 CB LEU A 11 -12.558 6.343 -1.305 1.00 0.78 C ATOM 152 CG LEU A 11 -12.290 4.848 -1.129 1.00 0.80 C ATOM 153 CD1 LEU A 11 -11.876 4.560 0.318 1.00 0.57 C ATOM 154 CD2 LEU A 11 -13.552 4.053 -1.469 1.00 1.18 C ATOM 0 H LEU A 11 -12.474 8.486 -0.001 1.00 0.61 H new ATOM 0 HA LEU A 11 -10.521 6.439 -0.626 1.00 0.62 H new ATOM 0 HB2 LEU A 11 -13.317 6.676 -0.597 1.00 0.78 H new ATOM 0 HB3 LEU A 11 -12.945 6.542 -2.304 1.00 0.78 H new ATOM 0 HG LEU A 11 -11.484 4.550 -1.799 1.00 0.80 H new ATOM 0 HD11 LEU A 11 -11.687 3.493 0.437 1.00 0.57 H new ATOM 0 HD12 LEU A 11 -10.970 5.118 0.555 1.00 0.57 H new ATOM 0 HD13 LEU A 11 -12.676 4.864 0.993 1.00 0.57 H new ATOM 0 HD21 LEU A 11 -13.356 2.988 -1.342 1.00 1.18 H new ATOM 0 HD22 LEU A 11 -14.362 4.355 -0.805 1.00 1.18 H new ATOM 0 HD23 LEU A 11 -13.838 4.249 -2.502 1.00 1.18 H new ATOM 166 N GLN A 12 -11.207 8.688 -2.934 1.00 0.59 N ATOM 167 CA GLN A 12 -10.685 9.202 -4.235 1.00 0.55 C ATOM 168 C GLN A 12 -9.195 9.507 -4.088 1.00 0.44 C ATOM 169 O GLN A 12 -8.388 9.128 -4.914 1.00 0.45 O ATOM 170 CB GLN A 12 -11.437 10.478 -4.620 1.00 0.59 C ATOM 171 CG GLN A 12 -12.566 10.136 -5.594 1.00 1.68 C ATOM 172 CD GLN A 12 -12.053 10.254 -7.031 1.00 2.03 C ATOM 173 OE1 GLN A 12 -11.340 11.181 -7.357 1.00 2.16 O ATOM 174 NE2 GLN A 12 -12.388 9.349 -7.908 1.00 3.30 N ATOM 0 H GLN A 12 -11.954 9.241 -2.514 1.00 0.59 H new ATOM 0 HA GLN A 12 -10.831 8.453 -5.013 1.00 0.55 H new ATOM 0 HB2 GLN A 12 -11.845 10.955 -3.728 1.00 0.59 H new ATOM 0 HB3 GLN A 12 -10.752 11.191 -5.078 1.00 0.59 H new ATOM 0 HG2 GLN A 12 -12.928 9.125 -5.408 1.00 1.68 H new ATOM 0 HG3 GLN A 12 -13.409 10.810 -5.441 1.00 1.68 H new ATOM 0 HE21 GLN A 12 -12.987 8.570 -7.634 1.00 3.30 H new ATOM 0 HE22 GLN A 12 -12.051 9.420 -8.868 1.00 3.30 H new ATOM 183 N GLU A 13 -8.823 10.178 -3.035 1.00 0.39 N ATOM 184 CA GLU A 13 -7.382 10.497 -2.822 1.00 0.37 C ATOM 185 C GLU A 13 -6.622 9.211 -2.462 1.00 0.32 C ATOM 186 O GLU A 13 -5.423 9.121 -2.637 1.00 0.23 O ATOM 187 CB GLU A 13 -7.247 11.513 -1.685 1.00 0.48 C ATOM 188 CG GLU A 13 -7.935 12.820 -2.083 1.00 1.18 C ATOM 189 CD GLU A 13 -7.190 13.998 -1.458 1.00 0.91 C ATOM 190 OE1 GLU A 13 -6.471 13.776 -0.497 1.00 0.59 O ATOM 191 OE2 GLU A 13 -7.350 15.104 -1.948 1.00 1.89 O ATOM 0 H GLU A 13 -9.454 10.520 -2.311 1.00 0.39 H new ATOM 0 HA GLU A 13 -6.962 10.920 -3.735 1.00 0.37 H new ATOM 0 HB2 GLU A 13 -7.695 11.117 -0.774 1.00 0.48 H new ATOM 0 HB3 GLU A 13 -6.194 11.695 -1.469 1.00 0.48 H new ATOM 0 HG2 GLU A 13 -7.950 12.920 -3.168 1.00 1.18 H new ATOM 0 HG3 GLU A 13 -8.973 12.814 -1.749 1.00 1.18 H new ATOM 198 N ILE A 14 -7.312 8.214 -1.970 1.00 0.50 N ATOM 199 CA ILE A 14 -6.637 6.933 -1.613 1.00 0.58 C ATOM 200 C ILE A 14 -6.213 6.221 -2.899 1.00 0.51 C ATOM 201 O ILE A 14 -5.210 5.538 -2.944 1.00 0.51 O ATOM 202 CB ILE A 14 -7.626 6.060 -0.830 1.00 0.78 C ATOM 203 CG1 ILE A 14 -7.031 5.722 0.540 1.00 0.88 C ATOM 204 CG2 ILE A 14 -7.918 4.763 -1.597 1.00 1.21 C ATOM 205 CD1 ILE A 14 -8.160 5.571 1.561 1.00 0.89 C ATOM 0 H ILE A 14 -8.318 8.234 -1.800 1.00 0.50 H new ATOM 0 HA ILE A 14 -5.755 7.122 -1.001 1.00 0.58 H new ATOM 0 HB ILE A 14 -8.559 6.609 -0.702 1.00 0.78 H new ATOM 0 HG12 ILE A 14 -6.454 4.799 0.480 1.00 0.88 H new ATOM 0 HG13 ILE A 14 -6.344 6.508 0.854 1.00 0.88 H new ATOM 0 HG21 ILE A 14 -8.621 4.155 -1.028 1.00 1.21 H new ATOM 0 HG22 ILE A 14 -8.350 5.004 -2.568 1.00 1.21 H new ATOM 0 HG23 ILE A 14 -6.991 4.208 -1.740 1.00 1.21 H new ATOM 0 HD11 ILE A 14 -7.738 5.330 2.537 1.00 0.89 H new ATOM 0 HD12 ILE A 14 -8.718 6.505 1.627 1.00 0.89 H new ATOM 0 HD13 ILE A 14 -8.829 4.770 1.247 1.00 0.89 H new ATOM 217 N ILE A 15 -6.979 6.377 -3.944 1.00 0.48 N ATOM 218 CA ILE A 15 -6.641 5.719 -5.236 1.00 0.43 C ATOM 219 C ILE A 15 -5.482 6.468 -5.896 1.00 0.38 C ATOM 220 O ILE A 15 -4.516 5.876 -6.337 1.00 0.30 O ATOM 221 CB ILE A 15 -7.875 5.757 -6.145 1.00 0.46 C ATOM 222 CG1 ILE A 15 -8.497 4.358 -6.223 1.00 0.78 C ATOM 223 CG2 ILE A 15 -7.487 6.216 -7.552 1.00 0.45 C ATOM 224 CD1 ILE A 15 -9.826 4.432 -6.976 1.00 1.60 C ATOM 0 H ILE A 15 -7.831 6.937 -3.957 1.00 0.48 H new ATOM 0 HA ILE A 15 -6.344 4.684 -5.067 1.00 0.43 H new ATOM 0 HB ILE A 15 -8.596 6.461 -5.728 1.00 0.46 H new ATOM 0 HG12 ILE A 15 -7.817 3.674 -6.730 1.00 0.78 H new ATOM 0 HG13 ILE A 15 -8.657 3.963 -5.220 1.00 0.78 H new ATOM 0 HG21 ILE A 15 -8.374 6.238 -8.185 1.00 0.45 H new ATOM 0 HG22 ILE A 15 -7.052 7.214 -7.502 1.00 0.45 H new ATOM 0 HG23 ILE A 15 -6.758 5.523 -7.973 1.00 0.45 H new ATOM 0 HD11 ILE A 15 -10.269 3.437 -7.032 1.00 1.60 H new ATOM 0 HD12 ILE A 15 -10.505 5.103 -6.450 1.00 1.60 H new ATOM 0 HD13 ILE A 15 -9.653 4.809 -7.984 1.00 1.60 H new ATOM 236 N LYS A 16 -5.574 7.767 -5.969 1.00 0.43 N ATOM 237 CA LYS A 16 -4.481 8.561 -6.605 1.00 0.39 C ATOM 238 C LYS A 16 -3.145 8.247 -5.928 1.00 0.39 C ATOM 239 O LYS A 16 -2.135 8.070 -6.580 1.00 0.39 O ATOM 240 CB LYS A 16 -4.783 10.053 -6.456 1.00 0.38 C ATOM 241 CG LYS A 16 -5.843 10.465 -7.478 1.00 1.01 C ATOM 242 CD LYS A 16 -5.551 11.883 -7.974 1.00 0.79 C ATOM 243 CE LYS A 16 -6.158 12.898 -7.003 1.00 0.85 C ATOM 244 NZ LYS A 16 -7.606 13.073 -7.309 1.00 0.65 N ATOM 0 H LYS A 16 -6.359 8.315 -5.616 1.00 0.43 H new ATOM 0 HA LYS A 16 -4.419 8.300 -7.662 1.00 0.39 H new ATOM 0 HB2 LYS A 16 -5.135 10.264 -5.446 1.00 0.38 H new ATOM 0 HB3 LYS A 16 -3.874 10.635 -6.605 1.00 0.38 H new ATOM 0 HG2 LYS A 16 -5.845 9.768 -8.316 1.00 1.01 H new ATOM 0 HG3 LYS A 16 -6.834 10.423 -7.026 1.00 1.01 H new ATOM 0 HD2 LYS A 16 -4.475 12.038 -8.053 1.00 0.79 H new ATOM 0 HD3 LYS A 16 -5.967 12.024 -8.971 1.00 0.79 H new ATOM 0 HE2 LYS A 16 -6.031 12.556 -5.976 1.00 0.85 H new ATOM 0 HE3 LYS A 16 -5.639 13.853 -7.087 1.00 0.85 H new ATOM 0 HZ1 LYS A 16 -8.019 13.763 -6.649 1.00 0.65 H new ATOM 0 HZ2 LYS A 16 -7.716 13.418 -8.284 1.00 0.65 H new ATOM 0 HZ3 LYS A 16 -8.095 12.161 -7.207 1.00 0.65 H new ATOM 258 N THR A 17 -3.130 8.182 -4.627 1.00 0.39 N ATOM 259 CA THR A 17 -1.858 7.886 -3.906 1.00 0.39 C ATOM 260 C THR A 17 -1.426 6.448 -4.197 1.00 0.39 C ATOM 261 O THR A 17 -0.261 6.169 -4.399 1.00 0.44 O ATOM 262 CB THR A 17 -2.074 8.056 -2.401 1.00 0.35 C ATOM 263 OG1 THR A 17 -2.527 9.375 -2.136 1.00 0.34 O ATOM 264 CG2 THR A 17 -0.758 7.805 -1.661 1.00 0.52 C ATOM 0 H THR A 17 -3.944 8.321 -4.029 1.00 0.39 H new ATOM 0 HA THR A 17 -1.083 8.573 -4.244 1.00 0.39 H new ATOM 0 HB THR A 17 -2.821 7.340 -2.058 1.00 0.35 H new ATOM 0 HG1 THR A 17 -3.499 9.418 -2.257 1.00 0.34 H new ATOM 0 HG21 THR A 17 -0.914 7.927 -0.589 1.00 0.52 H new ATOM 0 HG22 THR A 17 -0.414 6.791 -1.865 1.00 0.52 H new ATOM 0 HG23 THR A 17 -0.007 8.518 -2.001 1.00 0.52 H new ATOM 272 N LEU A 18 -2.355 5.534 -4.218 1.00 0.37 N ATOM 273 CA LEU A 18 -1.994 4.117 -4.495 1.00 0.41 C ATOM 274 C LEU A 18 -1.253 4.042 -5.833 1.00 0.49 C ATOM 275 O LEU A 18 -0.419 3.186 -6.047 1.00 0.76 O ATOM 276 CB LEU A 18 -3.280 3.276 -4.565 1.00 0.45 C ATOM 277 CG LEU A 18 -2.962 1.780 -4.746 1.00 0.50 C ATOM 278 CD1 LEU A 18 -2.666 1.478 -6.214 1.00 1.26 C ATOM 279 CD2 LEU A 18 -1.756 1.380 -3.893 1.00 0.47 C ATOM 0 H LEU A 18 -3.347 5.707 -4.056 1.00 0.37 H new ATOM 0 HA LEU A 18 -1.352 3.732 -3.703 1.00 0.41 H new ATOM 0 HB2 LEU A 18 -3.860 3.419 -3.653 1.00 0.45 H new ATOM 0 HB3 LEU A 18 -3.898 3.621 -5.394 1.00 0.45 H new ATOM 0 HG LEU A 18 -3.831 1.206 -4.425 1.00 0.50 H new ATOM 0 HD11 LEU A 18 -2.443 0.417 -6.329 1.00 1.26 H new ATOM 0 HD12 LEU A 18 -3.535 1.734 -6.820 1.00 1.26 H new ATOM 0 HD13 LEU A 18 -1.809 2.067 -6.541 1.00 1.26 H new ATOM 0 HD21 LEU A 18 -1.546 0.320 -4.034 1.00 0.47 H new ATOM 0 HD22 LEU A 18 -0.887 1.965 -4.194 1.00 0.47 H new ATOM 0 HD23 LEU A 18 -1.974 1.570 -2.842 1.00 0.47 H new ATOM 291 N ASN A 19 -1.566 4.925 -6.742 1.00 0.29 N ATOM 292 CA ASN A 19 -0.899 4.898 -8.075 1.00 0.38 C ATOM 293 C ASN A 19 0.397 5.712 -8.041 1.00 0.37 C ATOM 294 O ASN A 19 1.305 5.472 -8.812 1.00 0.42 O ATOM 295 CB ASN A 19 -1.848 5.491 -9.119 1.00 0.57 C ATOM 296 CG ASN A 19 -1.071 5.803 -10.399 1.00 0.51 C ATOM 297 OD1 ASN A 19 -0.743 4.911 -11.158 1.00 1.03 O ATOM 298 ND2 ASN A 19 -0.760 7.041 -10.676 1.00 1.55 N ATOM 0 H ASN A 19 -2.256 5.666 -6.619 1.00 0.29 H new ATOM 0 HA ASN A 19 -0.656 3.867 -8.333 1.00 0.38 H new ATOM 0 HB2 ASN A 19 -2.654 4.789 -9.333 1.00 0.57 H new ATOM 0 HB3 ASN A 19 -2.310 6.399 -8.731 1.00 0.57 H new ATOM 0 HD21 ASN A 19 -0.243 7.259 -11.528 1.00 1.55 H new ATOM 0 HD22 ASN A 19 -1.034 7.790 -10.041 1.00 1.55 H new ATOM 305 N SER A 20 0.494 6.674 -7.166 1.00 0.37 N ATOM 306 CA SER A 20 1.737 7.496 -7.100 1.00 0.46 C ATOM 307 C SER A 20 2.894 6.639 -6.583 1.00 0.38 C ATOM 308 O SER A 20 4.031 6.822 -6.968 1.00 0.41 O ATOM 309 CB SER A 20 1.515 8.681 -6.162 1.00 0.56 C ATOM 310 OG SER A 20 2.754 9.049 -5.570 1.00 0.99 O ATOM 0 H SER A 20 -0.231 6.927 -6.495 1.00 0.37 H new ATOM 0 HA SER A 20 1.981 7.864 -8.096 1.00 0.46 H new ATOM 0 HB2 SER A 20 1.098 9.523 -6.714 1.00 0.56 H new ATOM 0 HB3 SER A 20 0.793 8.418 -5.389 1.00 0.56 H new ATOM 0 HG SER A 20 2.593 9.421 -4.678 1.00 0.99 H new ATOM 316 N LEU A 21 2.617 5.699 -5.719 1.00 0.30 N ATOM 317 CA LEU A 21 3.712 4.833 -5.194 1.00 0.29 C ATOM 318 C LEU A 21 4.272 3.951 -6.320 1.00 0.28 C ATOM 319 O LEU A 21 5.317 3.352 -6.178 1.00 0.26 O ATOM 320 CB LEU A 21 3.180 3.943 -4.067 1.00 0.23 C ATOM 321 CG LEU A 21 3.381 4.650 -2.726 1.00 0.21 C ATOM 322 CD1 LEU A 21 2.323 5.742 -2.553 1.00 1.55 C ATOM 323 CD2 LEU A 21 3.254 3.632 -1.591 1.00 1.15 C ATOM 0 H LEU A 21 1.686 5.494 -5.356 1.00 0.30 H new ATOM 0 HA LEU A 21 4.507 5.470 -4.807 1.00 0.29 H new ATOM 0 HB2 LEU A 21 2.122 3.731 -4.224 1.00 0.23 H new ATOM 0 HB3 LEU A 21 3.701 2.985 -4.068 1.00 0.23 H new ATOM 0 HG LEU A 21 4.372 5.103 -2.702 1.00 0.21 H new ATOM 0 HD11 LEU A 21 2.470 6.243 -1.596 1.00 1.55 H new ATOM 0 HD12 LEU A 21 2.414 6.468 -3.361 1.00 1.55 H new ATOM 0 HD13 LEU A 21 1.330 5.294 -2.579 1.00 1.55 H new ATOM 0 HD21 LEU A 21 3.397 4.134 -0.634 1.00 1.15 H new ATOM 0 HD22 LEU A 21 2.263 3.178 -1.618 1.00 1.15 H new ATOM 0 HD23 LEU A 21 4.011 2.857 -1.711 1.00 1.15 H new ATOM 335 N THR A 22 3.598 3.868 -7.441 1.00 0.35 N ATOM 336 CA THR A 22 4.118 3.025 -8.558 1.00 0.42 C ATOM 337 C THR A 22 5.049 3.849 -9.462 1.00 0.51 C ATOM 338 O THR A 22 5.379 3.438 -10.555 1.00 0.75 O ATOM 339 CB THR A 22 2.948 2.496 -9.392 1.00 0.36 C ATOM 340 OG1 THR A 22 1.727 2.737 -8.705 1.00 0.53 O ATOM 341 CG2 THR A 22 3.122 0.994 -9.618 1.00 0.94 C ATOM 0 H THR A 22 2.716 4.345 -7.629 1.00 0.35 H new ATOM 0 HA THR A 22 4.677 2.191 -8.133 1.00 0.42 H new ATOM 0 HB THR A 22 2.927 3.007 -10.354 1.00 0.36 H new ATOM 0 HG1 THR A 22 1.449 3.666 -8.848 1.00 0.53 H new ATOM 0 HG21 THR A 22 2.289 0.617 -10.212 1.00 0.94 H new ATOM 0 HG22 THR A 22 4.057 0.812 -10.147 1.00 0.94 H new ATOM 0 HG23 THR A 22 3.144 0.481 -8.656 1.00 0.94 H new ATOM 349 N GLU A 23 5.482 5.005 -9.022 1.00 0.43 N ATOM 350 CA GLU A 23 6.389 5.830 -9.867 1.00 0.53 C ATOM 351 C GLU A 23 7.835 5.380 -9.629 1.00 0.78 C ATOM 352 O GLU A 23 8.566 5.081 -10.553 1.00 0.59 O ATOM 353 CB GLU A 23 6.226 7.305 -9.487 1.00 0.58 C ATOM 354 CG GLU A 23 5.794 8.109 -10.715 1.00 1.30 C ATOM 355 CD GLU A 23 6.999 8.344 -11.625 1.00 1.46 C ATOM 356 OE1 GLU A 23 7.981 8.890 -11.148 1.00 1.62 O ATOM 357 OE2 GLU A 23 6.921 7.975 -12.785 1.00 2.63 O ATOM 0 H GLU A 23 5.245 5.409 -8.116 1.00 0.43 H new ATOM 0 HA GLU A 23 6.142 5.705 -10.921 1.00 0.53 H new ATOM 0 HB2 GLU A 23 5.485 7.407 -8.695 1.00 0.58 H new ATOM 0 HB3 GLU A 23 7.166 7.696 -9.096 1.00 0.58 H new ATOM 0 HG2 GLU A 23 5.015 7.573 -11.257 1.00 1.30 H new ATOM 0 HG3 GLU A 23 5.368 9.063 -10.406 1.00 1.30 H new ATOM 364 N GLN A 24 8.241 5.314 -8.392 1.00 1.19 N ATOM 365 CA GLN A 24 9.628 4.866 -8.067 1.00 1.44 C ATOM 366 C GLN A 24 9.548 3.496 -7.405 1.00 1.59 C ATOM 367 O GLN A 24 10.241 3.208 -6.450 1.00 1.84 O ATOM 368 CB GLN A 24 10.283 5.869 -7.113 1.00 1.74 C ATOM 369 CG GLN A 24 11.637 6.305 -7.677 1.00 2.02 C ATOM 370 CD GLN A 24 12.752 5.485 -7.027 1.00 1.08 C ATOM 371 OE1 GLN A 24 13.456 4.756 -7.697 1.00 1.46 O ATOM 372 NE2 GLN A 24 12.943 5.572 -5.739 1.00 1.54 N ATOM 0 H GLN A 24 7.667 5.553 -7.583 1.00 1.19 H new ATOM 0 HA GLN A 24 10.227 4.806 -8.976 1.00 1.44 H new ATOM 0 HB2 GLN A 24 9.636 6.736 -6.981 1.00 1.74 H new ATOM 0 HB3 GLN A 24 10.416 5.418 -6.130 1.00 1.74 H new ATOM 0 HG2 GLN A 24 11.653 6.167 -8.758 1.00 2.02 H new ATOM 0 HG3 GLN A 24 11.796 7.367 -7.489 1.00 2.02 H new ATOM 0 HE21 GLN A 24 12.352 6.184 -5.176 1.00 1.54 H new ATOM 0 HE22 GLN A 24 13.683 5.028 -5.295 1.00 1.54 H new ATOM 381 N LYS A 25 8.703 2.646 -7.915 1.00 1.54 N ATOM 382 CA LYS A 25 8.571 1.289 -7.327 1.00 1.75 C ATOM 383 C LYS A 25 9.008 0.248 -8.355 1.00 1.43 C ATOM 384 O LYS A 25 8.250 -0.169 -9.210 1.00 1.64 O ATOM 385 CB LYS A 25 7.123 1.040 -6.907 1.00 2.25 C ATOM 386 CG LYS A 25 7.031 1.035 -5.377 1.00 3.94 C ATOM 387 CD LYS A 25 6.078 -0.069 -4.927 1.00 4.32 C ATOM 388 CE LYS A 25 5.147 0.475 -3.844 1.00 5.67 C ATOM 389 NZ LYS A 25 5.939 1.257 -2.851 1.00 6.85 N ATOM 0 H LYS A 25 8.098 2.834 -8.714 1.00 1.54 H new ATOM 0 HA LYS A 25 9.207 1.212 -6.445 1.00 1.75 H new ATOM 0 HB2 LYS A 25 6.475 1.814 -7.319 1.00 2.25 H new ATOM 0 HB3 LYS A 25 6.775 0.087 -7.306 1.00 2.25 H new ATOM 0 HG2 LYS A 25 8.018 0.877 -4.943 1.00 3.94 H new ATOM 0 HG3 LYS A 25 6.678 2.003 -5.020 1.00 3.94 H new ATOM 0 HD2 LYS A 25 5.496 -0.430 -5.775 1.00 4.32 H new ATOM 0 HD3 LYS A 25 6.643 -0.918 -4.543 1.00 4.32 H new ATOM 0 HE2 LYS A 25 4.381 1.107 -4.293 1.00 5.67 H new ATOM 0 HE3 LYS A 25 4.631 -0.347 -3.347 1.00 5.67 H new ATOM 0 HZ1 LYS A 25 5.466 1.223 -1.925 1.00 6.85 H new ATOM 0 HZ2 LYS A 25 6.892 0.849 -2.768 1.00 6.85 H new ATOM 0 HZ3 LYS A 25 6.012 2.245 -3.166 1.00 6.85 H new ATOM 403 N THR A 26 10.234 -0.171 -8.261 1.00 1.06 N ATOM 404 CA THR A 26 10.777 -1.190 -9.201 1.00 0.86 C ATOM 405 C THR A 26 12.127 -1.652 -8.658 1.00 0.53 C ATOM 406 O THR A 26 12.448 -2.825 -8.660 1.00 0.44 O ATOM 407 CB THR A 26 10.957 -0.579 -10.595 1.00 0.86 C ATOM 408 OG1 THR A 26 11.457 -1.570 -11.482 1.00 1.20 O ATOM 409 CG2 THR A 26 11.943 0.587 -10.526 1.00 2.59 C ATOM 0 H THR A 26 10.898 0.155 -7.559 1.00 1.06 H new ATOM 0 HA THR A 26 10.090 -2.032 -9.285 1.00 0.86 H new ATOM 0 HB THR A 26 9.995 -0.215 -10.956 1.00 0.86 H new ATOM 0 HG1 THR A 26 11.572 -1.182 -12.375 1.00 1.20 H new ATOM 0 HG21 THR A 26 12.067 1.018 -11.520 1.00 2.59 H new ATOM 0 HG22 THR A 26 11.560 1.348 -9.846 1.00 2.59 H new ATOM 0 HG23 THR A 26 12.906 0.228 -10.163 1.00 2.59 H new ATOM 417 N LEU A 27 12.911 -0.729 -8.172 1.00 0.45 N ATOM 418 CA LEU A 27 14.234 -1.083 -7.600 1.00 0.22 C ATOM 419 C LEU A 27 14.020 -1.663 -6.202 1.00 0.26 C ATOM 420 O LEU A 27 14.682 -2.597 -5.796 1.00 0.43 O ATOM 421 CB LEU A 27 15.078 0.191 -7.516 1.00 0.34 C ATOM 422 CG LEU A 27 16.547 -0.175 -7.297 1.00 0.72 C ATOM 423 CD1 LEU A 27 17.435 0.978 -7.769 1.00 1.64 C ATOM 424 CD2 LEU A 27 16.792 -0.432 -5.808 1.00 1.74 C ATOM 0 H LEU A 27 12.686 0.266 -8.148 1.00 0.45 H new ATOM 0 HA LEU A 27 14.745 -1.819 -8.221 1.00 0.22 H new ATOM 0 HB2 LEU A 27 14.971 0.770 -8.433 1.00 0.34 H new ATOM 0 HB3 LEU A 27 14.724 0.819 -6.699 1.00 0.34 H new ATOM 0 HG LEU A 27 16.787 -1.074 -7.865 1.00 0.72 H new ATOM 0 HD11 LEU A 27 18.482 0.718 -7.613 1.00 1.64 H new ATOM 0 HD12 LEU A 27 17.260 1.161 -8.829 1.00 1.64 H new ATOM 0 HD13 LEU A 27 17.196 1.877 -7.201 1.00 1.64 H new ATOM 0 HD21 LEU A 27 17.839 -0.693 -5.651 1.00 1.74 H new ATOM 0 HD22 LEU A 27 16.553 0.467 -5.239 1.00 1.74 H new ATOM 0 HD23 LEU A 27 16.159 -1.253 -5.472 1.00 1.74 H new ATOM 436 N CYS A 28 13.083 -1.124 -5.471 1.00 0.44 N ATOM 437 CA CYS A 28 12.801 -1.649 -4.106 1.00 0.70 C ATOM 438 C CYS A 28 11.754 -2.771 -4.195 1.00 0.62 C ATOM 439 O CYS A 28 11.596 -3.553 -3.279 1.00 0.86 O ATOM 440 CB CYS A 28 12.273 -0.519 -3.217 1.00 0.99 C ATOM 441 SG CYS A 28 13.134 -0.552 -1.623 1.00 1.64 S ATOM 0 H CYS A 28 12.499 -0.340 -5.762 1.00 0.44 H new ATOM 0 HA CYS A 28 13.720 -2.045 -3.673 1.00 0.70 H new ATOM 0 HB2 CYS A 28 12.426 0.444 -3.705 1.00 0.99 H new ATOM 0 HB3 CYS A 28 11.200 -0.633 -3.065 1.00 0.99 H new ATOM 446 N THR A 29 11.043 -2.867 -5.296 1.00 0.32 N ATOM 447 CA THR A 29 10.023 -3.949 -5.440 1.00 0.32 C ATOM 448 C THR A 29 10.707 -5.291 -5.736 1.00 0.43 C ATOM 449 O THR A 29 10.052 -6.306 -5.872 1.00 0.43 O ATOM 450 CB THR A 29 9.088 -3.612 -6.604 1.00 0.30 C ATOM 451 OG1 THR A 29 9.818 -3.686 -7.820 1.00 0.45 O ATOM 452 CG2 THR A 29 8.530 -2.201 -6.427 1.00 0.56 C ATOM 0 H THR A 29 11.127 -2.242 -6.098 1.00 0.32 H new ATOM 0 HA THR A 29 9.461 -4.025 -4.509 1.00 0.32 H new ATOM 0 HB THR A 29 8.261 -4.321 -6.626 1.00 0.30 H new ATOM 0 HG1 THR A 29 9.216 -3.950 -8.547 1.00 0.45 H new ATOM 0 HG21 THR A 29 7.865 -1.966 -7.258 1.00 0.56 H new ATOM 0 HG22 THR A 29 7.975 -2.144 -5.491 1.00 0.56 H new ATOM 0 HG23 THR A 29 9.351 -1.485 -6.406 1.00 0.56 H new ATOM 460 N GLU A 30 12.013 -5.315 -5.854 1.00 0.54 N ATOM 461 CA GLU A 30 12.710 -6.594 -6.155 1.00 0.68 C ATOM 462 C GLU A 30 12.935 -7.412 -4.871 1.00 0.82 C ATOM 463 O GLU A 30 13.599 -8.429 -4.895 1.00 1.27 O ATOM 464 CB GLU A 30 14.053 -6.274 -6.820 1.00 0.72 C ATOM 465 CG GLU A 30 14.049 -6.804 -8.256 1.00 2.22 C ATOM 466 CD GLU A 30 14.501 -8.265 -8.266 1.00 2.86 C ATOM 467 OE1 GLU A 30 14.549 -8.858 -7.202 1.00 2.98 O ATOM 468 OE2 GLU A 30 14.792 -8.766 -9.340 1.00 3.56 O ATOM 0 H GLU A 30 12.621 -4.502 -5.754 1.00 0.54 H new ATOM 0 HA GLU A 30 12.093 -7.192 -6.826 1.00 0.68 H new ATOM 0 HB2 GLU A 30 14.225 -5.198 -6.819 1.00 0.72 H new ATOM 0 HB3 GLU A 30 14.868 -6.727 -6.256 1.00 0.72 H new ATOM 0 HG2 GLU A 30 13.050 -6.719 -8.683 1.00 2.22 H new ATOM 0 HG3 GLU A 30 14.713 -6.203 -8.878 1.00 2.22 H new ATOM 475 N LEU A 31 12.370 -7.007 -3.758 1.00 0.58 N ATOM 476 CA LEU A 31 12.542 -7.798 -2.516 1.00 0.73 C ATOM 477 C LEU A 31 11.396 -8.824 -2.466 1.00 0.91 C ATOM 478 O LEU A 31 11.269 -9.631 -3.362 1.00 2.16 O ATOM 479 CB LEU A 31 12.506 -6.858 -1.301 1.00 0.67 C ATOM 480 CG LEU A 31 13.595 -5.795 -1.435 1.00 0.78 C ATOM 481 CD1 LEU A 31 13.213 -4.574 -0.596 1.00 0.56 C ATOM 482 CD2 LEU A 31 14.924 -6.364 -0.932 1.00 1.35 C ATOM 0 H LEU A 31 11.801 -6.166 -3.664 1.00 0.58 H new ATOM 0 HA LEU A 31 13.500 -8.317 -2.500 1.00 0.73 H new ATOM 0 HB2 LEU A 31 11.528 -6.382 -1.227 1.00 0.67 H new ATOM 0 HB3 LEU A 31 12.653 -7.429 -0.384 1.00 0.67 H new ATOM 0 HG LEU A 31 13.697 -5.503 -2.480 1.00 0.78 H new ATOM 0 HD11 LEU A 31 13.987 -3.812 -0.688 1.00 0.56 H new ATOM 0 HD12 LEU A 31 12.264 -4.172 -0.950 1.00 0.56 H new ATOM 0 HD13 LEU A 31 13.115 -4.867 0.449 1.00 0.56 H new ATOM 0 HD21 LEU A 31 15.703 -5.607 -1.027 1.00 1.35 H new ATOM 0 HD22 LEU A 31 14.824 -6.653 0.114 1.00 1.35 H new ATOM 0 HD23 LEU A 31 15.193 -7.238 -1.525 1.00 1.35 H new ATOM 494 N THR A 32 10.549 -8.802 -1.465 1.00 0.39 N ATOM 495 CA THR A 32 9.422 -9.782 -1.431 1.00 0.32 C ATOM 496 C THR A 32 8.475 -9.442 -0.274 1.00 0.35 C ATOM 497 O THR A 32 8.895 -8.963 0.761 1.00 0.46 O ATOM 498 CB THR A 32 9.973 -11.200 -1.267 1.00 0.32 C ATOM 499 OG1 THR A 32 11.304 -11.137 -0.770 1.00 0.47 O ATOM 500 CG2 THR A 32 9.960 -11.907 -2.629 1.00 0.42 C ATOM 0 H THR A 32 10.589 -8.154 -0.678 1.00 0.39 H new ATOM 0 HA THR A 32 8.867 -9.727 -2.368 1.00 0.32 H new ATOM 0 HB THR A 32 9.354 -11.757 -0.563 1.00 0.32 H new ATOM 0 HG1 THR A 32 11.657 -12.045 -0.663 1.00 0.47 H new ATOM 0 HG21 THR A 32 10.352 -12.918 -2.518 1.00 0.42 H new ATOM 0 HG22 THR A 32 8.938 -11.953 -3.005 1.00 0.42 H new ATOM 0 HG23 THR A 32 10.581 -11.353 -3.333 1.00 0.42 H new ATOM 508 N VAL A 33 7.202 -9.685 -0.444 1.00 0.32 N ATOM 509 CA VAL A 33 6.225 -9.372 0.638 1.00 0.40 C ATOM 510 C VAL A 33 5.190 -10.507 0.721 1.00 0.35 C ATOM 511 O VAL A 33 5.491 -11.643 0.416 1.00 0.15 O ATOM 512 CB VAL A 33 5.536 -8.040 0.316 1.00 0.50 C ATOM 513 CG1 VAL A 33 6.595 -6.954 0.112 1.00 0.58 C ATOM 514 CG2 VAL A 33 4.710 -8.187 -0.965 1.00 0.59 C ATOM 0 H VAL A 33 6.796 -10.088 -1.289 1.00 0.32 H new ATOM 0 HA VAL A 33 6.733 -9.286 1.598 1.00 0.40 H new ATOM 0 HB VAL A 33 4.882 -7.763 1.142 1.00 0.50 H new ATOM 0 HG11 VAL A 33 6.106 -6.007 -0.117 1.00 0.58 H new ATOM 0 HG12 VAL A 33 7.186 -6.847 1.022 1.00 0.58 H new ATOM 0 HG13 VAL A 33 7.249 -7.234 -0.714 1.00 0.58 H new ATOM 0 HG21 VAL A 33 4.221 -7.240 -1.193 1.00 0.59 H new ATOM 0 HG22 VAL A 33 5.365 -8.465 -1.791 1.00 0.59 H new ATOM 0 HG23 VAL A 33 3.955 -8.961 -0.824 1.00 0.59 H new ATOM 524 N THR A 34 3.980 -10.223 1.136 1.00 0.62 N ATOM 525 CA THR A 34 2.958 -11.303 1.236 1.00 0.59 C ATOM 526 C THR A 34 1.773 -10.991 0.318 1.00 0.64 C ATOM 527 O THR A 34 1.390 -9.851 0.144 1.00 0.66 O ATOM 528 CB THR A 34 2.468 -11.396 2.689 1.00 0.43 C ATOM 529 OG1 THR A 34 2.835 -12.655 3.231 1.00 0.60 O ATOM 530 CG2 THR A 34 0.944 -11.236 2.754 1.00 0.32 C ATOM 0 H THR A 34 3.660 -9.294 1.408 1.00 0.62 H new ATOM 0 HA THR A 34 3.402 -12.250 0.931 1.00 0.59 H new ATOM 0 HB THR A 34 2.929 -10.595 3.267 1.00 0.43 H new ATOM 0 HG1 THR A 34 2.524 -12.715 4.159 1.00 0.60 H new ATOM 0 HG21 THR A 34 0.615 -11.305 3.791 1.00 0.32 H new ATOM 0 HG22 THR A 34 0.662 -10.265 2.347 1.00 0.32 H new ATOM 0 HG23 THR A 34 0.470 -12.025 2.170 1.00 0.32 H new ATOM 538 N ASP A 35 1.170 -12.004 -0.245 1.00 0.71 N ATOM 539 CA ASP A 35 -0.012 -11.774 -1.120 1.00 0.82 C ATOM 540 C ASP A 35 -1.260 -11.800 -0.241 1.00 0.76 C ATOM 541 O ASP A 35 -1.594 -12.809 0.347 1.00 0.73 O ATOM 542 CB ASP A 35 -0.100 -12.880 -2.175 1.00 1.03 C ATOM 543 CG ASP A 35 -1.086 -12.462 -3.267 1.00 1.50 C ATOM 544 OD1 ASP A 35 -0.924 -11.377 -3.800 1.00 2.21 O ATOM 545 OD2 ASP A 35 -1.986 -13.235 -3.554 1.00 2.09 O ATOM 0 H ASP A 35 1.446 -12.980 -0.136 1.00 0.71 H new ATOM 0 HA ASP A 35 0.075 -10.814 -1.629 1.00 0.82 H new ATOM 0 HB2 ASP A 35 0.883 -13.064 -2.608 1.00 1.03 H new ATOM 0 HB3 ASP A 35 -0.425 -13.813 -1.714 1.00 1.03 H new ATOM 550 N ILE A 36 -1.945 -10.697 -0.125 1.00 0.79 N ATOM 551 CA ILE A 36 -3.154 -10.671 0.742 1.00 0.86 C ATOM 552 C ILE A 36 -4.415 -10.884 -0.102 1.00 1.01 C ATOM 553 O ILE A 36 -5.494 -10.458 0.258 1.00 1.19 O ATOM 554 CB ILE A 36 -3.214 -9.326 1.470 1.00 0.82 C ATOM 555 CG1 ILE A 36 -3.704 -8.237 0.512 1.00 0.80 C ATOM 556 CG2 ILE A 36 -1.813 -8.965 1.972 1.00 0.70 C ATOM 557 CD1 ILE A 36 -3.438 -6.860 1.127 1.00 0.76 C ATOM 0 H ILE A 36 -1.721 -9.817 -0.590 1.00 0.79 H new ATOM 0 HA ILE A 36 -3.099 -11.476 1.475 1.00 0.86 H new ATOM 0 HB ILE A 36 -3.903 -9.400 2.311 1.00 0.82 H new ATOM 0 HG12 ILE A 36 -3.193 -8.324 -0.447 1.00 0.80 H new ATOM 0 HG13 ILE A 36 -4.769 -8.361 0.318 1.00 0.80 H new ATOM 0 HG21 ILE A 36 -1.848 -8.008 2.492 1.00 0.70 H new ATOM 0 HG22 ILE A 36 -1.462 -9.737 2.657 1.00 0.70 H new ATOM 0 HG23 ILE A 36 -1.130 -8.893 1.125 1.00 0.70 H new ATOM 0 HD11 ILE A 36 -3.786 -6.084 0.446 1.00 0.76 H new ATOM 0 HD12 ILE A 36 -3.969 -6.776 2.075 1.00 0.76 H new ATOM 0 HD13 ILE A 36 -2.368 -6.739 1.299 1.00 0.76 H new ATOM 569 N PHE A 37 -4.290 -11.564 -1.211 1.00 1.06 N ATOM 570 CA PHE A 37 -5.481 -11.828 -2.064 1.00 1.28 C ATOM 571 C PHE A 37 -5.609 -13.339 -2.268 1.00 1.50 C ATOM 572 O PHE A 37 -5.993 -13.807 -3.322 1.00 1.56 O ATOM 573 CB PHE A 37 -5.310 -11.141 -3.423 1.00 1.29 C ATOM 574 CG PHE A 37 -4.906 -9.699 -3.219 1.00 0.89 C ATOM 575 CD1 PHE A 37 -5.573 -8.909 -2.275 1.00 1.13 C ATOM 576 CD2 PHE A 37 -3.867 -9.152 -3.982 1.00 0.95 C ATOM 577 CE1 PHE A 37 -5.198 -7.572 -2.093 1.00 0.89 C ATOM 578 CE2 PHE A 37 -3.494 -7.816 -3.801 1.00 0.79 C ATOM 579 CZ PHE A 37 -4.159 -7.025 -2.855 1.00 0.15 C ATOM 0 H PHE A 37 -3.412 -11.948 -1.562 1.00 1.06 H new ATOM 0 HA PHE A 37 -6.376 -11.437 -1.581 1.00 1.28 H new ATOM 0 HB2 PHE A 37 -4.554 -11.661 -4.011 1.00 1.29 H new ATOM 0 HB3 PHE A 37 -6.242 -11.191 -3.986 1.00 1.29 H new ATOM 0 HD1 PHE A 37 -6.376 -9.330 -1.688 1.00 1.13 H new ATOM 0 HD2 PHE A 37 -3.353 -9.762 -4.711 1.00 0.95 H new ATOM 0 HE1 PHE A 37 -5.711 -6.962 -1.364 1.00 0.89 H new ATOM 0 HE2 PHE A 37 -2.693 -7.394 -4.391 1.00 0.79 H new ATOM 0 HZ PHE A 37 -3.870 -5.994 -2.714 1.00 0.15 H new ATOM 589 N ALA A 38 -5.274 -14.106 -1.264 1.00 1.65 N ATOM 590 CA ALA A 38 -5.356 -15.591 -1.386 1.00 1.89 C ATOM 591 C ALA A 38 -6.780 -16.018 -1.748 1.00 1.50 C ATOM 592 O ALA A 38 -6.984 -17.001 -2.433 1.00 1.25 O ATOM 593 CB ALA A 38 -4.961 -16.234 -0.053 1.00 2.86 C ATOM 0 H ALA A 38 -4.946 -13.766 -0.360 1.00 1.65 H new ATOM 0 HA ALA A 38 -4.676 -15.917 -2.173 1.00 1.89 H new ATOM 0 HB1 ALA A 38 -5.020 -17.319 -0.141 1.00 2.86 H new ATOM 0 HB2 ALA A 38 -3.941 -15.946 0.202 1.00 2.86 H new ATOM 0 HB3 ALA A 38 -5.640 -15.895 0.730 1.00 2.86 H new ATOM 599 N ALA A 39 -7.770 -15.301 -1.292 1.00 1.75 N ATOM 600 CA ALA A 39 -9.172 -15.690 -1.612 1.00 2.03 C ATOM 601 C ALA A 39 -9.835 -14.602 -2.458 1.00 2.50 C ATOM 602 O ALA A 39 -9.211 -13.638 -2.852 1.00 3.47 O ATOM 603 CB ALA A 39 -9.959 -15.873 -0.314 1.00 3.23 C ATOM 0 H ALA A 39 -7.670 -14.466 -0.714 1.00 1.75 H new ATOM 0 HA ALA A 39 -9.164 -16.625 -2.172 1.00 2.03 H new ATOM 0 HB1 ALA A 39 -10.985 -16.158 -0.548 1.00 3.23 H new ATOM 0 HB2 ALA A 39 -9.493 -16.654 0.287 1.00 3.23 H new ATOM 0 HB3 ALA A 39 -9.960 -14.938 0.246 1.00 3.23 H new ATOM 609 N SER A 40 -11.100 -14.757 -2.744 1.00 2.50 N ATOM 610 CA SER A 40 -11.811 -13.741 -3.569 1.00 3.28 C ATOM 611 C SER A 40 -12.554 -12.760 -2.659 1.00 2.70 C ATOM 612 O SER A 40 -12.655 -11.585 -2.952 1.00 3.29 O ATOM 613 CB SER A 40 -12.818 -14.441 -4.481 1.00 4.35 C ATOM 614 OG SER A 40 -13.776 -13.494 -4.935 1.00 5.30 O ATOM 0 H SER A 40 -11.672 -15.545 -2.441 1.00 2.50 H new ATOM 0 HA SER A 40 -11.083 -13.196 -4.171 1.00 3.28 H new ATOM 0 HB2 SER A 40 -12.305 -14.892 -5.330 1.00 4.35 H new ATOM 0 HB3 SER A 40 -13.314 -15.248 -3.942 1.00 4.35 H new ATOM 0 HG SER A 40 -14.423 -13.939 -5.522 1.00 5.30 H new ATOM 620 N LYS A 41 -13.085 -13.228 -1.561 1.00 2.39 N ATOM 621 CA LYS A 41 -13.828 -12.310 -0.651 1.00 3.03 C ATOM 622 C LYS A 41 -13.849 -12.879 0.769 1.00 1.72 C ATOM 623 O LYS A 41 -14.758 -12.617 1.534 1.00 2.39 O ATOM 624 CB LYS A 41 -15.263 -12.153 -1.155 1.00 4.92 C ATOM 625 CG LYS A 41 -15.875 -10.877 -0.573 1.00 6.86 C ATOM 626 CD LYS A 41 -17.399 -10.938 -0.701 1.00 8.22 C ATOM 627 CE LYS A 41 -17.843 -10.136 -1.925 1.00 9.98 C ATOM 628 NZ LYS A 41 -17.706 -8.681 -1.641 1.00 11.64 N ATOM 0 H LYS A 41 -13.037 -14.200 -1.257 1.00 2.39 H new ATOM 0 HA LYS A 41 -13.331 -11.340 -0.638 1.00 3.03 H new ATOM 0 HB2 LYS A 41 -15.274 -12.110 -2.244 1.00 4.92 H new ATOM 0 HB3 LYS A 41 -15.858 -13.019 -0.865 1.00 4.92 H new ATOM 0 HG2 LYS A 41 -15.591 -10.770 0.474 1.00 6.86 H new ATOM 0 HG3 LYS A 41 -15.490 -10.003 -1.099 1.00 6.86 H new ATOM 0 HD2 LYS A 41 -17.725 -11.974 -0.794 1.00 8.22 H new ATOM 0 HD3 LYS A 41 -17.866 -10.537 0.198 1.00 8.22 H new ATOM 0 HE2 LYS A 41 -17.238 -10.407 -2.790 1.00 9.98 H new ATOM 0 HE3 LYS A 41 -18.878 -10.373 -2.173 1.00 9.98 H new ATOM 0 HZ1 LYS A 41 -18.340 -8.144 -2.267 1.00 11.64 H new ATOM 0 HZ2 LYS A 41 -17.959 -8.495 -0.650 1.00 11.64 H new ATOM 0 HZ3 LYS A 41 -16.723 -8.386 -1.808 1.00 11.64 H new ATOM 642 N ASP A 42 -12.858 -13.647 1.135 1.00 1.26 N ATOM 643 CA ASP A 42 -12.833 -14.217 2.512 1.00 2.43 C ATOM 644 C ASP A 42 -12.948 -13.081 3.526 1.00 2.02 C ATOM 645 O ASP A 42 -13.528 -13.232 4.583 1.00 2.22 O ATOM 646 CB ASP A 42 -11.519 -14.965 2.740 1.00 4.14 C ATOM 647 CG ASP A 42 -10.589 -14.110 3.606 1.00 5.45 C ATOM 648 OD1 ASP A 42 -10.738 -14.148 4.816 1.00 5.67 O ATOM 649 OD2 ASP A 42 -9.744 -13.434 3.043 1.00 6.63 O ATOM 0 H ASP A 42 -12.068 -13.903 0.543 1.00 1.26 H new ATOM 0 HA ASP A 42 -13.666 -14.909 2.632 1.00 2.43 H new ATOM 0 HB2 ASP A 42 -11.712 -15.920 3.228 1.00 4.14 H new ATOM 0 HB3 ASP A 42 -11.043 -15.186 1.785 1.00 4.14 H new ATOM 654 N THR A 43 -12.403 -11.941 3.207 1.00 1.74 N ATOM 655 CA THR A 43 -12.481 -10.791 4.145 1.00 1.80 C ATOM 656 C THR A 43 -13.268 -9.656 3.483 1.00 1.77 C ATOM 657 O THR A 43 -13.876 -9.837 2.447 1.00 1.76 O ATOM 658 CB THR A 43 -11.066 -10.314 4.480 1.00 2.07 C ATOM 659 OG1 THR A 43 -10.157 -10.822 3.512 1.00 2.35 O ATOM 660 CG2 THR A 43 -10.674 -10.823 5.868 1.00 2.41 C ATOM 0 H THR A 43 -11.906 -11.757 2.335 1.00 1.74 H new ATOM 0 HA THR A 43 -12.985 -11.094 5.063 1.00 1.80 H new ATOM 0 HB THR A 43 -11.034 -9.224 4.472 1.00 2.07 H new ATOM 0 HG1 THR A 43 -9.911 -11.741 3.745 1.00 2.35 H new ATOM 0 HG21 THR A 43 -9.666 -10.484 6.109 1.00 2.41 H new ATOM 0 HG22 THR A 43 -11.374 -10.435 6.609 1.00 2.41 H new ATOM 0 HG23 THR A 43 -10.702 -11.913 5.877 1.00 2.41 H new ATOM 668 N THR A 44 -13.268 -8.492 4.071 1.00 1.82 N ATOM 669 CA THR A 44 -14.026 -7.360 3.465 1.00 1.84 C ATOM 670 C THR A 44 -13.059 -6.384 2.799 1.00 1.49 C ATOM 671 O THR A 44 -11.865 -6.596 2.779 1.00 1.59 O ATOM 672 CB THR A 44 -14.813 -6.632 4.557 1.00 2.16 C ATOM 673 OG1 THR A 44 -14.393 -7.101 5.830 1.00 2.59 O ATOM 674 CG2 THR A 44 -16.305 -6.905 4.377 1.00 2.57 C ATOM 0 H THR A 44 -12.779 -8.275 4.940 1.00 1.82 H new ATOM 0 HA THR A 44 -14.714 -7.750 2.715 1.00 1.84 H new ATOM 0 HB THR A 44 -14.631 -5.560 4.486 1.00 2.16 H new ATOM 0 HG1 THR A 44 -14.894 -6.635 6.532 1.00 2.59 H new ATOM 0 HG21 THR A 44 -16.866 -6.387 5.155 1.00 2.57 H new ATOM 0 HG22 THR A 44 -16.625 -6.547 3.399 1.00 2.57 H new ATOM 0 HG23 THR A 44 -16.490 -7.977 4.449 1.00 2.57 H new ATOM 682 N GLU A 45 -13.570 -5.314 2.250 1.00 1.18 N ATOM 683 CA GLU A 45 -12.680 -4.319 1.585 1.00 0.99 C ATOM 684 C GLU A 45 -11.906 -3.541 2.652 1.00 0.56 C ATOM 685 O GLU A 45 -10.744 -3.225 2.486 1.00 0.50 O ATOM 686 CB GLU A 45 -13.516 -3.361 0.704 1.00 1.16 C ATOM 687 CG GLU A 45 -14.220 -2.268 1.538 1.00 0.78 C ATOM 688 CD GLU A 45 -15.389 -2.874 2.317 1.00 2.77 C ATOM 689 OE1 GLU A 45 -16.149 -3.621 1.721 1.00 3.62 O ATOM 690 OE2 GLU A 45 -15.507 -2.581 3.494 1.00 3.79 O ATOM 0 H GLU A 45 -14.564 -5.087 2.233 1.00 1.18 H new ATOM 0 HA GLU A 45 -11.970 -4.837 0.940 1.00 0.99 H new ATOM 0 HB2 GLU A 45 -12.868 -2.891 -0.035 1.00 1.16 H new ATOM 0 HB3 GLU A 45 -14.263 -3.934 0.154 1.00 1.16 H new ATOM 0 HG2 GLU A 45 -13.510 -1.812 2.228 1.00 0.78 H new ATOM 0 HG3 GLU A 45 -14.581 -1.475 0.883 1.00 0.78 H new ATOM 697 N LYS A 46 -12.542 -3.233 3.749 1.00 0.39 N ATOM 698 CA LYS A 46 -11.843 -2.475 4.824 1.00 0.21 C ATOM 699 C LYS A 46 -10.840 -3.392 5.530 1.00 0.40 C ATOM 700 O LYS A 46 -9.752 -2.980 5.888 1.00 0.44 O ATOM 701 CB LYS A 46 -12.862 -1.929 5.835 1.00 0.55 C ATOM 702 CG LYS A 46 -13.842 -3.027 6.259 1.00 0.48 C ATOM 703 CD LYS A 46 -14.542 -2.610 7.554 1.00 0.87 C ATOM 704 CE LYS A 46 -15.925 -3.259 7.616 1.00 0.91 C ATOM 705 NZ LYS A 46 -16.972 -2.216 7.422 1.00 1.59 N ATOM 0 H LYS A 46 -13.513 -3.473 3.947 1.00 0.39 H new ATOM 0 HA LYS A 46 -11.309 -1.635 4.380 1.00 0.21 H new ATOM 0 HB2 LYS A 46 -12.342 -1.541 6.710 1.00 0.55 H new ATOM 0 HB3 LYS A 46 -13.409 -1.096 5.394 1.00 0.55 H new ATOM 0 HG2 LYS A 46 -14.578 -3.196 5.473 1.00 0.48 H new ATOM 0 HG3 LYS A 46 -13.311 -3.967 6.406 1.00 0.48 H new ATOM 0 HD2 LYS A 46 -13.947 -2.913 8.416 1.00 0.87 H new ATOM 0 HD3 LYS A 46 -14.635 -1.525 7.597 1.00 0.87 H new ATOM 0 HE2 LYS A 46 -16.013 -4.026 6.847 1.00 0.91 H new ATOM 0 HE3 LYS A 46 -16.063 -3.754 8.577 1.00 0.91 H new ATOM 0 HZ1 LYS A 46 -17.913 -2.657 7.464 1.00 1.59 H new ATOM 0 HZ2 LYS A 46 -16.891 -1.500 8.172 1.00 1.59 H new ATOM 0 HZ3 LYS A 46 -16.843 -1.763 6.495 1.00 1.59 H new ATOM 719 N GLU A 47 -11.180 -4.639 5.715 1.00 0.69 N ATOM 720 CA GLU A 47 -10.228 -5.569 6.377 1.00 0.89 C ATOM 721 C GLU A 47 -9.049 -5.799 5.433 1.00 0.71 C ATOM 722 O GLU A 47 -7.926 -5.995 5.857 1.00 0.61 O ATOM 723 CB GLU A 47 -10.927 -6.898 6.677 1.00 1.24 C ATOM 724 CG GLU A 47 -10.088 -7.705 7.671 1.00 1.54 C ATOM 725 CD GLU A 47 -10.984 -8.210 8.804 1.00 1.88 C ATOM 726 OE1 GLU A 47 -11.857 -7.464 9.220 1.00 2.59 O ATOM 727 OE2 GLU A 47 -10.782 -9.332 9.239 1.00 2.35 O ATOM 0 H GLU A 47 -12.071 -5.050 5.437 1.00 0.69 H new ATOM 0 HA GLU A 47 -9.876 -5.143 7.317 1.00 0.89 H new ATOM 0 HB2 GLU A 47 -11.920 -6.714 7.088 1.00 1.24 H new ATOM 0 HB3 GLU A 47 -11.064 -7.465 5.756 1.00 1.24 H new ATOM 0 HG2 GLU A 47 -9.615 -8.546 7.165 1.00 1.54 H new ATOM 0 HG3 GLU A 47 -9.288 -7.085 8.075 1.00 1.54 H new ATOM 734 N THR A 48 -9.296 -5.759 4.151 1.00 0.71 N ATOM 735 CA THR A 48 -8.195 -5.957 3.172 1.00 0.62 C ATOM 736 C THR A 48 -7.213 -4.792 3.283 1.00 0.44 C ATOM 737 O THR A 48 -6.020 -4.963 3.157 1.00 0.57 O ATOM 738 CB THR A 48 -8.770 -6.004 1.754 1.00 0.72 C ATOM 739 OG1 THR A 48 -9.676 -7.093 1.646 1.00 0.91 O ATOM 740 CG2 THR A 48 -7.632 -6.182 0.751 1.00 0.62 C ATOM 0 H THR A 48 -10.216 -5.597 3.741 1.00 0.71 H new ATOM 0 HA THR A 48 -7.682 -6.895 3.383 1.00 0.62 H new ATOM 0 HB THR A 48 -9.297 -5.074 1.543 1.00 0.72 H new ATOM 0 HG1 THR A 48 -10.408 -6.974 2.286 1.00 0.91 H new ATOM 0 HG21 THR A 48 -8.039 -6.216 -0.259 1.00 0.62 H new ATOM 0 HG22 THR A 48 -6.939 -5.345 0.835 1.00 0.62 H new ATOM 0 HG23 THR A 48 -7.104 -7.112 0.961 1.00 0.62 H new ATOM 748 N PHE A 49 -7.707 -3.606 3.521 1.00 0.23 N ATOM 749 CA PHE A 49 -6.791 -2.434 3.643 1.00 0.08 C ATOM 750 C PHE A 49 -5.922 -2.594 4.893 1.00 0.12 C ATOM 751 O PHE A 49 -4.773 -2.211 4.907 1.00 0.16 O ATOM 752 CB PHE A 49 -7.603 -1.141 3.759 1.00 0.20 C ATOM 753 CG PHE A 49 -8.449 -0.939 2.523 1.00 0.29 C ATOM 754 CD1 PHE A 49 -7.934 -1.232 1.252 1.00 0.91 C ATOM 755 CD2 PHE A 49 -9.755 -0.453 2.652 1.00 1.10 C ATOM 756 CE1 PHE A 49 -8.727 -1.038 0.115 1.00 1.15 C ATOM 757 CE2 PHE A 49 -10.548 -0.261 1.514 1.00 1.31 C ATOM 758 CZ PHE A 49 -10.033 -0.554 0.246 1.00 1.05 C ATOM 0 H PHE A 49 -8.699 -3.398 3.636 1.00 0.23 H new ATOM 0 HA PHE A 49 -6.160 -2.384 2.756 1.00 0.08 H new ATOM 0 HB2 PHE A 49 -8.241 -1.182 4.642 1.00 0.20 H new ATOM 0 HB3 PHE A 49 -6.931 -0.293 3.891 1.00 0.20 H new ATOM 0 HD1 PHE A 49 -6.926 -1.607 1.151 1.00 0.91 H new ATOM 0 HD2 PHE A 49 -10.152 -0.226 3.630 1.00 1.10 H new ATOM 0 HE1 PHE A 49 -8.330 -1.262 -0.864 1.00 1.15 H new ATOM 0 HE2 PHE A 49 -11.556 0.113 1.615 1.00 1.31 H new ATOM 0 HZ PHE A 49 -10.644 -0.406 -0.632 1.00 1.05 H new ATOM 768 N CYS A 50 -6.464 -3.150 5.944 1.00 0.18 N ATOM 769 CA CYS A 50 -5.666 -3.328 7.196 1.00 0.23 C ATOM 770 C CYS A 50 -4.485 -4.267 6.929 1.00 0.28 C ATOM 771 O CYS A 50 -3.366 -3.994 7.313 1.00 0.38 O ATOM 772 CB CYS A 50 -6.554 -3.935 8.283 1.00 0.29 C ATOM 773 SG CYS A 50 -5.599 -4.125 9.810 1.00 1.15 S ATOM 0 H CYS A 50 -7.425 -3.489 5.991 1.00 0.18 H new ATOM 0 HA CYS A 50 -5.292 -2.358 7.523 1.00 0.23 H new ATOM 0 HB2 CYS A 50 -7.419 -3.295 8.460 1.00 0.29 H new ATOM 0 HB3 CYS A 50 -6.935 -4.903 7.957 1.00 0.29 H new ATOM 778 N ARG A 51 -4.724 -5.375 6.280 1.00 0.26 N ATOM 779 CA ARG A 51 -3.610 -6.326 5.997 1.00 0.31 C ATOM 780 C ARG A 51 -2.559 -5.630 5.131 1.00 0.30 C ATOM 781 O ARG A 51 -1.376 -5.697 5.398 1.00 0.36 O ATOM 782 CB ARG A 51 -4.155 -7.548 5.257 1.00 0.31 C ATOM 783 CG ARG A 51 -4.611 -8.597 6.273 1.00 0.33 C ATOM 784 CD ARG A 51 -5.786 -9.387 5.697 1.00 0.19 C ATOM 785 NE ARG A 51 -5.270 -10.449 4.786 1.00 1.16 N ATOM 786 CZ ARG A 51 -6.042 -11.435 4.393 1.00 1.16 C ATOM 787 NH1 ARG A 51 -7.290 -11.520 4.786 1.00 0.31 N ATOM 788 NH2 ARG A 51 -5.556 -12.346 3.595 1.00 2.17 N ATOM 0 H ARG A 51 -5.640 -5.662 5.934 1.00 0.26 H new ATOM 0 HA ARG A 51 -3.156 -6.646 6.935 1.00 0.31 H new ATOM 0 HB2 ARG A 51 -4.989 -7.258 4.618 1.00 0.31 H new ATOM 0 HB3 ARG A 51 -3.386 -7.966 4.607 1.00 0.31 H new ATOM 0 HG2 ARG A 51 -3.788 -9.271 6.511 1.00 0.33 H new ATOM 0 HG3 ARG A 51 -4.906 -8.113 7.204 1.00 0.33 H new ATOM 0 HD2 ARG A 51 -6.367 -9.835 6.503 1.00 0.19 H new ATOM 0 HD3 ARG A 51 -6.455 -8.720 5.154 1.00 0.19 H new ATOM 0 HE ARG A 51 -4.303 -10.409 4.464 1.00 1.16 H new ATOM 0 HH11 ARG A 51 -7.678 -10.812 5.409 1.00 0.31 H new ATOM 0 HH12 ARG A 51 -7.873 -12.295 4.469 1.00 0.31 H new ATOM 0 HH21 ARG A 51 -4.586 -12.287 3.284 1.00 2.17 H new ATOM 0 HH22 ARG A 51 -6.146 -13.117 3.282 1.00 2.17 H new ATOM 802 N ALA A 52 -2.983 -4.959 4.098 1.00 0.32 N ATOM 803 CA ALA A 52 -2.015 -4.252 3.213 1.00 0.37 C ATOM 804 C ALA A 52 -1.375 -3.082 3.972 1.00 0.36 C ATOM 805 O ALA A 52 -0.343 -2.574 3.583 1.00 0.45 O ATOM 806 CB ALA A 52 -2.749 -3.721 1.982 1.00 0.39 C ATOM 0 H ALA A 52 -3.962 -4.869 3.827 1.00 0.32 H new ATOM 0 HA ALA A 52 -1.235 -4.947 2.903 1.00 0.37 H new ATOM 0 HB1 ALA A 52 -2.043 -3.203 1.333 1.00 0.39 H new ATOM 0 HB2 ALA A 52 -3.198 -4.553 1.439 1.00 0.39 H new ATOM 0 HB3 ALA A 52 -3.530 -3.028 2.295 1.00 0.39 H new ATOM 812 N ALA A 53 -1.971 -2.653 5.056 1.00 0.31 N ATOM 813 CA ALA A 53 -1.385 -1.527 5.833 1.00 0.32 C ATOM 814 C ALA A 53 -0.229 -2.065 6.673 1.00 0.32 C ATOM 815 O ALA A 53 0.761 -1.396 6.893 1.00 0.33 O ATOM 816 CB ALA A 53 -2.454 -0.925 6.750 1.00 0.35 C ATOM 0 H ALA A 53 -2.838 -3.036 5.434 1.00 0.31 H new ATOM 0 HA ALA A 53 -1.023 -0.753 5.156 1.00 0.32 H new ATOM 0 HB1 ALA A 53 -2.023 -0.101 7.318 1.00 0.35 H new ATOM 0 HB2 ALA A 53 -3.284 -0.556 6.148 1.00 0.35 H new ATOM 0 HB3 ALA A 53 -2.816 -1.689 7.437 1.00 0.35 H new ATOM 822 N THR A 54 -0.343 -3.282 7.134 1.00 0.33 N ATOM 823 CA THR A 54 0.753 -3.876 7.944 1.00 0.37 C ATOM 824 C THR A 54 1.929 -4.186 7.021 1.00 0.35 C ATOM 825 O THR A 54 3.070 -3.904 7.333 1.00 0.40 O ATOM 826 CB THR A 54 0.264 -5.168 8.602 1.00 0.36 C ATOM 827 OG1 THR A 54 -0.503 -4.850 9.756 1.00 0.35 O ATOM 828 CG2 THR A 54 1.468 -6.021 9.005 1.00 0.38 C ATOM 0 H THR A 54 -1.149 -3.888 6.983 1.00 0.33 H new ATOM 0 HA THR A 54 1.062 -3.177 8.721 1.00 0.37 H new ATOM 0 HB THR A 54 -0.355 -5.725 7.898 1.00 0.36 H new ATOM 0 HG1 THR A 54 -0.818 -5.677 10.177 1.00 0.35 H new ATOM 0 HG21 THR A 54 1.121 -6.942 9.474 1.00 0.38 H new ATOM 0 HG22 THR A 54 2.055 -6.264 8.119 1.00 0.38 H new ATOM 0 HG23 THR A 54 2.087 -5.466 9.710 1.00 0.38 H new ATOM 836 N VAL A 55 1.657 -4.755 5.878 1.00 0.32 N ATOM 837 CA VAL A 55 2.753 -5.070 4.924 1.00 0.34 C ATOM 838 C VAL A 55 3.422 -3.760 4.508 1.00 0.35 C ATOM 839 O VAL A 55 4.626 -3.682 4.358 1.00 0.30 O ATOM 840 CB VAL A 55 2.174 -5.772 3.694 1.00 0.36 C ATOM 841 CG1 VAL A 55 3.249 -5.881 2.613 1.00 0.59 C ATOM 842 CG2 VAL A 55 1.704 -7.175 4.086 1.00 0.38 C ATOM 0 H VAL A 55 0.721 -5.015 5.565 1.00 0.32 H new ATOM 0 HA VAL A 55 3.485 -5.728 5.393 1.00 0.34 H new ATOM 0 HB VAL A 55 1.331 -5.197 3.310 1.00 0.36 H new ATOM 0 HG11 VAL A 55 2.835 -6.381 1.737 1.00 0.59 H new ATOM 0 HG12 VAL A 55 3.587 -4.883 2.335 1.00 0.59 H new ATOM 0 HG13 VAL A 55 4.092 -6.457 2.995 1.00 0.59 H new ATOM 0 HG21 VAL A 55 1.291 -7.678 3.212 1.00 0.38 H new ATOM 0 HG22 VAL A 55 2.549 -7.748 4.469 1.00 0.38 H new ATOM 0 HG23 VAL A 55 0.937 -7.100 4.857 1.00 0.38 H new ATOM 852 N LEU A 56 2.646 -2.725 4.341 1.00 0.41 N ATOM 853 CA LEU A 56 3.225 -1.409 3.957 1.00 0.41 C ATOM 854 C LEU A 56 4.126 -0.931 5.094 1.00 0.47 C ATOM 855 O LEU A 56 5.142 -0.301 4.877 1.00 0.55 O ATOM 856 CB LEU A 56 2.096 -0.397 3.734 1.00 0.37 C ATOM 857 CG LEU A 56 2.199 0.190 2.325 1.00 0.72 C ATOM 858 CD1 LEU A 56 1.336 -0.629 1.363 1.00 0.86 C ATOM 859 CD2 LEU A 56 1.703 1.639 2.340 1.00 0.94 C ATOM 0 H LEU A 56 1.632 -2.735 4.455 1.00 0.41 H new ATOM 0 HA LEU A 56 3.801 -1.505 3.036 1.00 0.41 H new ATOM 0 HB2 LEU A 56 1.129 -0.882 3.866 1.00 0.37 H new ATOM 0 HB3 LEU A 56 2.157 0.400 4.475 1.00 0.37 H new ATOM 0 HG LEU A 56 3.238 0.161 1.996 1.00 0.72 H new ATOM 0 HD11 LEU A 56 1.411 -0.209 0.360 1.00 0.86 H new ATOM 0 HD12 LEU A 56 1.684 -1.662 1.351 1.00 0.86 H new ATOM 0 HD13 LEU A 56 0.297 -0.600 1.692 1.00 0.86 H new ATOM 0 HD21 LEU A 56 1.776 2.059 1.337 1.00 0.94 H new ATOM 0 HD22 LEU A 56 0.664 1.665 2.670 1.00 0.94 H new ATOM 0 HD23 LEU A 56 2.315 2.226 3.024 1.00 0.94 H new ATOM 871 N ARG A 57 3.763 -1.240 6.311 1.00 0.46 N ATOM 872 CA ARG A 57 4.598 -0.821 7.469 1.00 0.53 C ATOM 873 C ARG A 57 5.983 -1.451 7.328 1.00 0.60 C ATOM 874 O ARG A 57 6.994 -0.809 7.532 1.00 0.65 O ATOM 875 CB ARG A 57 3.941 -1.293 8.770 1.00 0.54 C ATOM 876 CG ARG A 57 4.187 -0.259 9.870 1.00 0.53 C ATOM 877 CD ARG A 57 5.367 -0.705 10.732 1.00 2.17 C ATOM 878 NE ARG A 57 5.120 -0.328 12.154 1.00 1.81 N ATOM 879 CZ ARG A 57 5.826 -0.860 13.125 1.00 2.96 C ATOM 880 NH1 ARG A 57 6.775 -1.730 12.879 1.00 4.44 N ATOM 881 NH2 ARG A 57 5.583 -0.511 14.359 1.00 2.81 N ATOM 0 H ARG A 57 2.922 -1.765 6.551 1.00 0.46 H new ATOM 0 HA ARG A 57 4.689 0.265 7.492 1.00 0.53 H new ATOM 0 HB2 ARG A 57 2.870 -1.432 8.620 1.00 0.54 H new ATOM 0 HB3 ARG A 57 4.349 -2.259 9.066 1.00 0.54 H new ATOM 0 HG2 ARG A 57 4.393 0.716 9.428 1.00 0.53 H new ATOM 0 HG3 ARG A 57 3.294 -0.148 10.486 1.00 0.53 H new ATOM 0 HD2 ARG A 57 5.503 -1.783 10.650 1.00 2.17 H new ATOM 0 HD3 ARG A 57 6.286 -0.240 10.376 1.00 2.17 H new ATOM 0 HE ARG A 57 4.393 0.352 12.375 1.00 1.81 H new ATOM 0 HH11 ARG A 57 6.977 -2.006 11.918 1.00 4.44 H new ATOM 0 HH12 ARG A 57 7.311 -2.131 13.648 1.00 4.44 H new ATOM 0 HH21 ARG A 57 4.850 0.169 14.562 1.00 2.81 H new ATOM 0 HH22 ARG A 57 6.126 -0.918 15.121 1.00 2.81 H new ATOM 895 N GLN A 58 6.036 -2.703 6.964 1.00 0.61 N ATOM 896 CA GLN A 58 7.355 -3.368 6.790 1.00 0.70 C ATOM 897 C GLN A 58 8.074 -2.751 5.583 1.00 0.69 C ATOM 898 O GLN A 58 9.285 -2.785 5.488 1.00 0.81 O ATOM 899 CB GLN A 58 7.150 -4.866 6.549 1.00 0.74 C ATOM 900 CG GLN A 58 8.266 -5.654 7.239 1.00 1.33 C ATOM 901 CD GLN A 58 8.125 -5.515 8.758 1.00 0.88 C ATOM 902 OE1 GLN A 58 9.069 -5.168 9.438 1.00 2.14 O ATOM 903 NE2 GLN A 58 6.974 -5.772 9.319 1.00 1.73 N ATOM 0 H GLN A 58 5.224 -3.292 6.780 1.00 0.61 H new ATOM 0 HA GLN A 58 7.955 -3.228 7.689 1.00 0.70 H new ATOM 0 HB2 GLN A 58 6.179 -5.177 6.935 1.00 0.74 H new ATOM 0 HB3 GLN A 58 7.150 -5.076 5.479 1.00 0.74 H new ATOM 0 HG2 GLN A 58 8.215 -6.705 6.953 1.00 1.33 H new ATOM 0 HG3 GLN A 58 9.240 -5.283 6.918 1.00 1.33 H new ATOM 0 HE21 GLN A 58 6.182 -6.063 8.747 1.00 1.73 H new ATOM 0 HE22 GLN A 58 6.868 -5.681 10.329 1.00 1.73 H new ATOM 912 N PHE A 59 7.335 -2.194 4.657 1.00 0.57 N ATOM 913 CA PHE A 59 7.972 -1.582 3.456 1.00 0.57 C ATOM 914 C PHE A 59 8.810 -0.367 3.866 1.00 0.61 C ATOM 915 O PHE A 59 9.977 -0.277 3.549 1.00 0.67 O ATOM 916 CB PHE A 59 6.882 -1.139 2.474 1.00 0.53 C ATOM 917 CG PHE A 59 7.498 -0.873 1.118 1.00 0.61 C ATOM 918 CD1 PHE A 59 8.272 0.276 0.912 1.00 1.02 C ATOM 919 CD2 PHE A 59 7.294 -1.776 0.067 1.00 0.88 C ATOM 920 CE1 PHE A 59 8.842 0.522 -0.342 1.00 1.15 C ATOM 921 CE2 PHE A 59 7.865 -1.529 -1.190 1.00 1.00 C ATOM 922 CZ PHE A 59 8.639 -0.380 -1.392 1.00 0.93 C ATOM 0 H PHE A 59 6.317 -2.138 4.683 1.00 0.57 H new ATOM 0 HA PHE A 59 8.621 -2.319 2.982 1.00 0.57 H new ATOM 0 HB2 PHE A 59 6.117 -1.911 2.392 1.00 0.53 H new ATOM 0 HB3 PHE A 59 6.389 -0.240 2.843 1.00 0.53 H new ATOM 0 HD1 PHE A 59 8.429 0.973 1.722 1.00 1.02 H new ATOM 0 HD2 PHE A 59 6.697 -2.662 0.224 1.00 0.88 H new ATOM 0 HE1 PHE A 59 9.439 1.408 -0.499 1.00 1.15 H new ATOM 0 HE2 PHE A 59 7.708 -2.224 -2.001 1.00 1.00 H new ATOM 0 HZ PHE A 59 9.080 -0.190 -2.359 1.00 0.93 H new ATOM 932 N TYR A 60 8.225 0.574 4.560 1.00 0.65 N ATOM 933 CA TYR A 60 8.997 1.783 4.972 1.00 0.77 C ATOM 934 C TYR A 60 9.656 1.571 6.344 1.00 0.67 C ATOM 935 O TYR A 60 10.314 2.452 6.860 1.00 0.59 O ATOM 936 CB TYR A 60 8.055 2.994 5.024 1.00 0.93 C ATOM 937 CG TYR A 60 7.406 3.111 6.386 1.00 0.66 C ATOM 938 CD1 TYR A 60 8.033 3.842 7.405 1.00 0.75 C ATOM 939 CD2 TYR A 60 6.168 2.502 6.625 1.00 1.01 C ATOM 940 CE1 TYR A 60 7.423 3.959 8.659 1.00 0.88 C ATOM 941 CE2 TYR A 60 5.560 2.620 7.881 1.00 1.16 C ATOM 942 CZ TYR A 60 6.188 3.347 8.898 1.00 0.98 C ATOM 943 OH TYR A 60 5.588 3.465 10.135 1.00 1.36 O ATOM 0 H TYR A 60 7.250 0.558 4.858 1.00 0.65 H new ATOM 0 HA TYR A 60 9.786 1.962 4.241 1.00 0.77 H new ATOM 0 HB2 TYR A 60 8.613 3.904 4.802 1.00 0.93 H new ATOM 0 HB3 TYR A 60 7.287 2.896 4.257 1.00 0.93 H new ATOM 0 HD1 TYR A 60 8.987 4.315 7.222 1.00 0.75 H new ATOM 0 HD2 TYR A 60 5.682 1.941 5.840 1.00 1.01 H new ATOM 0 HE1 TYR A 60 7.906 4.523 9.443 1.00 0.88 H new ATOM 0 HE2 TYR A 60 4.605 2.149 8.065 1.00 1.16 H new ATOM 0 HH TYR A 60 4.735 2.982 10.132 1.00 1.36 H new ATOM 953 N SER A 61 9.497 0.420 6.943 1.00 0.79 N ATOM 954 CA SER A 61 10.124 0.192 8.275 1.00 0.81 C ATOM 955 C SER A 61 11.617 -0.102 8.108 1.00 0.65 C ATOM 956 O SER A 61 12.457 0.590 8.646 1.00 0.42 O ATOM 957 CB SER A 61 9.447 -0.993 8.961 1.00 1.24 C ATOM 958 OG SER A 61 8.455 -0.510 9.858 1.00 1.03 O ATOM 0 H SER A 61 8.964 -0.366 6.570 1.00 0.79 H new ATOM 0 HA SER A 61 10.002 1.088 8.884 1.00 0.81 H new ATOM 0 HB2 SER A 61 8.994 -1.649 8.217 1.00 1.24 H new ATOM 0 HB3 SER A 61 10.185 -1.586 9.501 1.00 1.24 H new ATOM 0 HG SER A 61 8.244 -1.204 10.517 1.00 1.03 H new ATOM 964 N HIS A 62 11.957 -1.132 7.381 1.00 0.85 N ATOM 965 CA HIS A 62 13.399 -1.468 7.203 1.00 0.90 C ATOM 966 C HIS A 62 13.972 -0.757 5.972 1.00 0.88 C ATOM 967 O HIS A 62 15.056 -0.215 6.015 1.00 0.90 O ATOM 968 CB HIS A 62 13.557 -2.981 7.035 1.00 1.26 C ATOM 969 CG HIS A 62 14.794 -3.437 7.758 1.00 2.22 C ATOM 970 ND1 HIS A 62 14.837 -4.622 8.477 1.00 1.88 N ATOM 971 CD2 HIS A 62 16.041 -2.876 7.884 1.00 3.75 C ATOM 972 CE1 HIS A 62 16.073 -4.735 8.997 1.00 2.88 C ATOM 973 NE2 HIS A 62 16.847 -3.697 8.666 1.00 4.08 N ATOM 0 H HIS A 62 11.302 -1.753 6.905 1.00 0.85 H new ATOM 0 HA HIS A 62 13.944 -1.135 8.086 1.00 0.90 H new ATOM 0 HB2 HIS A 62 12.681 -3.495 7.430 1.00 1.26 H new ATOM 0 HB3 HIS A 62 13.626 -3.235 5.977 1.00 1.26 H new ATOM 0 HD2 HIS A 62 16.349 -1.940 7.443 1.00 3.75 H new ATOM 0 HE1 HIS A 62 16.400 -5.564 9.608 1.00 2.88 H new ATOM 0 HE2 HIS A 62 17.820 -3.540 8.930 1.00 4.08 H new ATOM 981 N HIS A 63 13.264 -0.769 4.873 1.00 0.92 N ATOM 982 CA HIS A 63 13.788 -0.105 3.639 1.00 0.97 C ATOM 983 C HIS A 63 14.187 1.339 3.949 1.00 1.12 C ATOM 984 O HIS A 63 15.151 1.853 3.421 1.00 1.81 O ATOM 985 CB HIS A 63 12.713 -0.116 2.551 1.00 1.18 C ATOM 986 CG HIS A 63 12.183 -1.515 2.387 1.00 0.73 C ATOM 987 ND1 HIS A 63 12.815 -2.615 2.948 1.00 0.57 N ATOM 988 CD2 HIS A 63 11.084 -2.012 1.730 1.00 1.31 C ATOM 989 CE1 HIS A 63 12.098 -3.706 2.622 1.00 0.58 C ATOM 990 NE2 HIS A 63 11.032 -3.395 1.880 1.00 0.87 N ATOM 0 H HIS A 63 12.348 -1.208 4.775 1.00 0.92 H new ATOM 0 HA HIS A 63 14.665 -0.650 3.289 1.00 0.97 H new ATOM 0 HB2 HIS A 63 11.903 0.563 2.818 1.00 1.18 H new ATOM 0 HB3 HIS A 63 13.130 0.240 1.609 1.00 1.18 H new ATOM 0 HD2 HIS A 63 10.368 -1.419 1.180 1.00 1.31 H new ATOM 0 HE1 HIS A 63 12.354 -4.711 2.924 1.00 0.58 H new ATOM 0 HE2 HIS A 63 10.331 -4.033 1.504 1.00 0.87 H new ATOM 998 N GLU A 64 13.458 1.999 4.803 1.00 0.63 N ATOM 999 CA GLU A 64 13.807 3.406 5.143 1.00 0.91 C ATOM 1000 C GLU A 64 15.157 3.432 5.869 1.00 1.17 C ATOM 1001 O GLU A 64 15.975 4.302 5.645 1.00 1.59 O ATOM 1002 CB GLU A 64 12.720 3.995 6.044 1.00 0.62 C ATOM 1003 CG GLU A 64 13.040 5.461 6.356 1.00 0.73 C ATOM 1004 CD GLU A 64 12.240 5.907 7.581 1.00 0.70 C ATOM 1005 OE1 GLU A 64 11.092 6.282 7.410 1.00 1.28 O ATOM 1006 OE2 GLU A 64 12.788 5.865 8.670 1.00 1.29 O ATOM 0 H GLU A 64 12.637 1.626 5.280 1.00 0.63 H new ATOM 0 HA GLU A 64 13.877 3.999 4.231 1.00 0.91 H new ATOM 0 HB2 GLU A 64 11.749 3.922 5.553 1.00 0.62 H new ATOM 0 HB3 GLU A 64 12.653 3.423 6.970 1.00 0.62 H new ATOM 0 HG2 GLU A 64 14.107 5.580 6.542 1.00 0.73 H new ATOM 0 HG3 GLU A 64 12.794 6.089 5.499 1.00 0.73 H new ATOM 1013 N LYS A 65 15.392 2.487 6.741 1.00 1.22 N ATOM 1014 CA LYS A 65 16.687 2.459 7.485 1.00 1.78 C ATOM 1015 C LYS A 65 17.608 1.384 6.898 1.00 1.59 C ATOM 1016 O LYS A 65 18.302 0.693 7.617 1.00 1.84 O ATOM 1017 CB LYS A 65 16.422 2.145 8.957 1.00 2.13 C ATOM 1018 CG LYS A 65 16.069 3.433 9.701 1.00 2.75 C ATOM 1019 CD LYS A 65 15.636 3.097 11.128 1.00 3.90 C ATOM 1020 CE LYS A 65 14.303 3.783 11.432 1.00 5.15 C ATOM 1021 NZ LYS A 65 13.193 2.796 11.301 1.00 6.72 N ATOM 0 H LYS A 65 14.744 1.734 6.970 1.00 1.22 H new ATOM 0 HA LYS A 65 17.169 3.433 7.395 1.00 1.78 H new ATOM 0 HB2 LYS A 65 15.606 1.427 9.045 1.00 2.13 H new ATOM 0 HB3 LYS A 65 17.302 1.684 9.405 1.00 2.13 H new ATOM 0 HG2 LYS A 65 16.929 4.102 9.719 1.00 2.75 H new ATOM 0 HG3 LYS A 65 15.268 3.958 9.181 1.00 2.75 H new ATOM 0 HD2 LYS A 65 15.537 2.018 11.245 1.00 3.90 H new ATOM 0 HD3 LYS A 65 16.396 3.425 11.837 1.00 3.90 H new ATOM 0 HE2 LYS A 65 14.317 4.198 12.440 1.00 5.15 H new ATOM 0 HE3 LYS A 65 14.146 4.616 10.746 1.00 5.15 H new ATOM 0 HZ1 LYS A 65 12.287 3.263 11.508 1.00 6.72 H new ATOM 0 HZ2 LYS A 65 13.175 2.420 10.331 1.00 6.72 H new ATOM 0 HZ3 LYS A 65 13.341 2.016 11.972 1.00 6.72 H new ATOM 1035 N ASP A 66 17.630 1.241 5.600 1.00 1.26 N ATOM 1036 CA ASP A 66 18.519 0.215 4.980 1.00 1.08 C ATOM 1037 C ASP A 66 19.262 0.831 3.794 1.00 1.08 C ATOM 1038 O ASP A 66 18.764 1.718 3.129 1.00 1.22 O ATOM 1039 CB ASP A 66 17.689 -0.977 4.492 1.00 0.97 C ATOM 1040 CG ASP A 66 18.581 -2.219 4.407 1.00 1.12 C ATOM 1041 OD1 ASP A 66 19.683 -2.170 4.929 1.00 2.48 O ATOM 1042 OD2 ASP A 66 18.148 -3.198 3.823 1.00 1.65 O ATOM 0 H ASP A 66 17.073 1.788 4.944 1.00 1.26 H new ATOM 0 HA ASP A 66 19.235 -0.129 5.726 1.00 1.08 H new ATOM 0 HB2 ASP A 66 16.858 -1.159 5.174 1.00 0.97 H new ATOM 0 HB3 ASP A 66 17.258 -0.758 3.515 1.00 0.97 H new ATOM 1047 N THR A 67 20.451 0.371 3.525 1.00 0.96 N ATOM 1048 CA THR A 67 21.228 0.932 2.384 1.00 1.01 C ATOM 1049 C THR A 67 20.923 0.148 1.101 1.00 0.99 C ATOM 1050 O THR A 67 21.121 0.639 0.006 1.00 0.98 O ATOM 1051 CB THR A 67 22.725 0.842 2.694 1.00 1.21 C ATOM 1052 OG1 THR A 67 22.924 0.943 4.097 1.00 2.19 O ATOM 1053 CG2 THR A 67 23.460 1.982 1.990 1.00 1.79 C ATOM 0 H THR A 67 20.920 -0.370 4.046 1.00 0.96 H new ATOM 0 HA THR A 67 20.945 1.974 2.239 1.00 1.01 H new ATOM 0 HB THR A 67 23.114 -0.113 2.340 1.00 1.21 H new ATOM 0 HG1 THR A 67 23.882 0.884 4.297 1.00 2.19 H new ATOM 0 HG21 THR A 67 24.526 1.919 2.210 1.00 1.79 H new ATOM 0 HG22 THR A 67 23.307 1.904 0.914 1.00 1.79 H new ATOM 0 HG23 THR A 67 23.073 2.938 2.343 1.00 1.79 H new ATOM 1061 N ARG A 68 20.453 -1.067 1.222 1.00 1.10 N ATOM 1062 CA ARG A 68 20.147 -1.876 0.005 1.00 1.17 C ATOM 1063 C ARG A 68 19.222 -1.092 -0.928 1.00 1.05 C ATOM 1064 O ARG A 68 19.476 -0.974 -2.110 1.00 1.05 O ATOM 1065 CB ARG A 68 19.463 -3.181 0.418 1.00 1.28 C ATOM 1066 CG ARG A 68 20.054 -4.343 -0.384 1.00 0.91 C ATOM 1067 CD ARG A 68 19.653 -4.205 -1.854 1.00 2.15 C ATOM 1068 NE ARG A 68 19.243 -5.544 -2.392 1.00 2.67 N ATOM 1069 CZ ARG A 68 20.014 -6.602 -2.283 1.00 2.78 C ATOM 1070 NH1 ARG A 68 21.265 -6.500 -1.908 1.00 2.97 N ATOM 1071 NH2 ARG A 68 19.543 -7.771 -2.623 1.00 3.34 N ATOM 0 H ARG A 68 20.268 -1.533 2.110 1.00 1.10 H new ATOM 0 HA ARG A 68 21.078 -2.097 -0.517 1.00 1.17 H new ATOM 0 HB2 ARG A 68 19.601 -3.354 1.485 1.00 1.28 H new ATOM 0 HB3 ARG A 68 18.389 -3.113 0.242 1.00 1.28 H new ATOM 0 HG2 ARG A 68 21.140 -4.348 -0.291 1.00 0.91 H new ATOM 0 HG3 ARG A 68 19.696 -5.293 0.014 1.00 0.91 H new ATOM 0 HD2 ARG A 68 18.831 -3.495 -1.952 1.00 2.15 H new ATOM 0 HD3 ARG A 68 20.487 -3.809 -2.433 1.00 2.15 H new ATOM 0 HE ARG A 68 18.339 -5.636 -2.856 1.00 2.67 H new ATOM 0 HH11 ARG A 68 21.660 -5.584 -1.693 1.00 2.97 H new ATOM 0 HH12 ARG A 68 21.844 -7.336 -1.831 1.00 2.97 H new ATOM 0 HH21 ARG A 68 18.587 -7.855 -2.968 1.00 3.34 H new ATOM 0 HH22 ARG A 68 20.131 -8.601 -2.543 1.00 3.34 H new ATOM 1085 N CYS A 69 18.147 -0.558 -0.415 1.00 0.98 N ATOM 1086 CA CYS A 69 17.211 0.209 -1.284 1.00 0.91 C ATOM 1087 C CYS A 69 17.772 1.611 -1.546 1.00 0.76 C ATOM 1088 O CYS A 69 17.474 2.227 -2.550 1.00 0.69 O ATOM 1089 CB CYS A 69 15.850 0.325 -0.597 1.00 0.95 C ATOM 1090 SG CYS A 69 14.602 0.825 -1.814 1.00 0.68 S ATOM 0 H CYS A 69 17.877 -0.620 0.567 1.00 0.98 H new ATOM 0 HA CYS A 69 17.096 -0.315 -2.233 1.00 0.91 H new ATOM 0 HB2 CYS A 69 15.574 -0.629 -0.148 1.00 0.95 H new ATOM 0 HB3 CYS A 69 15.899 1.055 0.211 1.00 0.95 H new ATOM 1095 N LEU A 70 18.578 2.126 -0.656 1.00 0.78 N ATOM 1096 CA LEU A 70 19.144 3.489 -0.870 1.00 0.68 C ATOM 1097 C LEU A 70 20.190 3.442 -1.988 1.00 0.95 C ATOM 1098 O LEU A 70 19.924 3.812 -3.114 1.00 0.86 O ATOM 1099 CB LEU A 70 19.802 3.984 0.420 1.00 0.95 C ATOM 1100 CG LEU A 70 18.726 4.271 1.468 1.00 1.17 C ATOM 1101 CD1 LEU A 70 19.390 4.666 2.789 1.00 1.62 C ATOM 1102 CD2 LEU A 70 17.836 5.419 0.984 1.00 1.22 C ATOM 0 H LEU A 70 18.868 1.664 0.206 1.00 0.78 H new ATOM 0 HA LEU A 70 18.340 4.170 -1.151 1.00 0.68 H new ATOM 0 HB2 LEU A 70 20.499 3.234 0.795 1.00 0.95 H new ATOM 0 HB3 LEU A 70 20.381 4.886 0.222 1.00 0.95 H new ATOM 0 HG LEU A 70 18.120 3.378 1.619 1.00 1.17 H new ATOM 0 HD11 LEU A 70 18.622 4.870 3.535 1.00 1.62 H new ATOM 0 HD12 LEU A 70 20.025 3.850 3.135 1.00 1.62 H new ATOM 0 HD13 LEU A 70 19.997 5.559 2.639 1.00 1.62 H new ATOM 0 HD21 LEU A 70 17.069 5.624 1.731 1.00 1.22 H new ATOM 0 HD22 LEU A 70 18.443 6.311 0.833 1.00 1.22 H new ATOM 0 HD23 LEU A 70 17.361 5.140 0.043 1.00 1.22 H new ATOM 1114 N GLY A 71 21.380 2.993 -1.685 1.00 1.42 N ATOM 1115 CA GLY A 71 22.440 2.928 -2.728 1.00 1.74 C ATOM 1116 C GLY A 71 23.675 3.694 -2.246 1.00 2.02 C ATOM 1117 O GLY A 71 23.920 3.811 -1.063 1.00 2.35 O ATOM 0 H GLY A 71 21.661 2.669 -0.760 1.00 1.42 H new ATOM 0 HA2 GLY A 71 22.700 1.890 -2.934 1.00 1.74 H new ATOM 0 HA3 GLY A 71 22.074 3.356 -3.661 1.00 1.74 H new ATOM 1121 N ALA A 72 24.456 4.212 -3.153 1.00 2.03 N ATOM 1122 CA ALA A 72 25.674 4.964 -2.741 1.00 2.28 C ATOM 1123 C ALA A 72 25.725 6.308 -3.472 1.00 2.09 C ATOM 1124 O ALA A 72 26.744 6.695 -4.006 1.00 2.04 O ATOM 1125 CB ALA A 72 26.920 4.148 -3.092 1.00 2.81 C ATOM 0 H ALA A 72 24.304 4.147 -4.160 1.00 2.03 H new ATOM 0 HA ALA A 72 25.641 5.139 -1.666 1.00 2.28 H new ATOM 0 HB1 ALA A 72 27.812 4.698 -2.791 1.00 2.81 H new ATOM 0 HB2 ALA A 72 26.889 3.193 -2.568 1.00 2.81 H new ATOM 0 HB3 ALA A 72 26.948 3.972 -4.167 1.00 2.81 H new ATOM 1131 N THR A 73 24.633 7.023 -3.501 1.00 2.02 N ATOM 1132 CA THR A 73 24.628 8.341 -4.199 1.00 1.82 C ATOM 1133 C THR A 73 23.790 9.339 -3.398 1.00 1.71 C ATOM 1134 O THR A 73 22.840 8.976 -2.734 1.00 1.51 O ATOM 1135 CB THR A 73 24.027 8.178 -5.597 1.00 1.61 C ATOM 1136 OG1 THR A 73 24.759 7.193 -6.313 1.00 2.31 O ATOM 1137 CG2 THR A 73 24.098 9.512 -6.341 1.00 2.25 C ATOM 0 H THR A 73 23.747 6.753 -3.073 1.00 2.02 H new ATOM 0 HA THR A 73 25.650 8.709 -4.284 1.00 1.82 H new ATOM 0 HB THR A 73 22.986 7.866 -5.513 1.00 1.61 H new ATOM 0 HG1 THR A 73 24.375 7.086 -7.208 1.00 2.31 H new ATOM 0 HG21 THR A 73 23.670 9.396 -7.337 1.00 2.25 H new ATOM 0 HG22 THR A 73 23.536 10.266 -5.790 1.00 2.25 H new ATOM 0 HG23 THR A 73 25.138 9.826 -6.427 1.00 2.25 H new ATOM 1145 N ALA A 74 24.133 10.597 -3.459 1.00 1.86 N ATOM 1146 CA ALA A 74 23.357 11.618 -2.702 1.00 1.77 C ATOM 1147 C ALA A 74 22.041 11.901 -3.431 1.00 1.57 C ATOM 1148 O ALA A 74 20.989 11.968 -2.829 1.00 1.33 O ATOM 1149 CB ALA A 74 24.175 12.908 -2.604 1.00 1.94 C ATOM 0 H ALA A 74 24.917 10.961 -4.000 1.00 1.86 H new ATOM 0 HA ALA A 74 23.144 11.246 -1.700 1.00 1.77 H new ATOM 0 HB1 ALA A 74 23.609 13.657 -2.050 1.00 1.94 H new ATOM 0 HB2 ALA A 74 25.113 12.706 -2.086 1.00 1.94 H new ATOM 0 HB3 ALA A 74 24.387 13.281 -3.606 1.00 1.94 H new ATOM 1155 N GLN A 75 22.094 12.068 -4.725 1.00 1.74 N ATOM 1156 CA GLN A 75 20.846 12.347 -5.493 1.00 1.60 C ATOM 1157 C GLN A 75 19.820 11.246 -5.215 1.00 1.42 C ATOM 1158 O GLN A 75 18.653 11.508 -4.992 1.00 1.28 O ATOM 1159 CB GLN A 75 21.167 12.377 -6.989 1.00 1.80 C ATOM 1160 CG GLN A 75 20.135 13.240 -7.717 1.00 1.17 C ATOM 1161 CD GLN A 75 20.855 14.304 -8.549 1.00 2.06 C ATOM 1162 OE1 GLN A 75 20.649 15.485 -8.356 1.00 3.22 O ATOM 1163 NE2 GLN A 75 21.699 13.932 -9.472 1.00 1.94 N ATOM 0 H GLN A 75 22.947 12.023 -5.283 1.00 1.74 H new ATOM 0 HA GLN A 75 20.438 13.310 -5.188 1.00 1.60 H new ATOM 0 HB2 GLN A 75 22.168 12.777 -7.149 1.00 1.80 H new ATOM 0 HB3 GLN A 75 21.160 11.365 -7.393 1.00 1.80 H new ATOM 0 HG2 GLN A 75 19.514 12.617 -8.362 1.00 1.17 H new ATOM 0 HG3 GLN A 75 19.469 13.715 -6.996 1.00 1.17 H new ATOM 0 HE21 GLN A 75 21.872 12.940 -9.635 1.00 1.94 H new ATOM 0 HE22 GLN A 75 22.185 14.633 -10.031 1.00 1.94 H new ATOM 1172 N GLN A 76 20.248 10.014 -5.226 1.00 1.42 N ATOM 1173 CA GLN A 76 19.304 8.895 -4.960 1.00 1.26 C ATOM 1174 C GLN A 76 18.615 9.127 -3.616 1.00 0.98 C ATOM 1175 O GLN A 76 17.442 8.860 -3.453 1.00 0.86 O ATOM 1176 CB GLN A 76 20.078 7.575 -4.919 1.00 1.45 C ATOM 1177 CG GLN A 76 19.916 6.843 -6.255 1.00 1.50 C ATOM 1178 CD GLN A 76 18.934 5.674 -6.104 1.00 1.24 C ATOM 1179 OE1 GLN A 76 18.617 5.263 -5.005 1.00 2.31 O ATOM 1180 NE2 GLN A 76 18.438 5.118 -7.174 1.00 0.57 N ATOM 0 H GLN A 76 21.212 9.735 -5.408 1.00 1.42 H new ATOM 0 HA GLN A 76 18.555 8.850 -5.751 1.00 1.26 H new ATOM 0 HB2 GLN A 76 21.133 7.766 -4.723 1.00 1.45 H new ATOM 0 HB3 GLN A 76 19.710 6.951 -4.104 1.00 1.45 H new ATOM 0 HG2 GLN A 76 19.554 7.535 -7.015 1.00 1.50 H new ATOM 0 HG3 GLN A 76 20.883 6.473 -6.595 1.00 1.50 H new ATOM 0 HE21 GLN A 76 18.703 5.462 -8.097 1.00 0.57 H new ATOM 0 HE22 GLN A 76 17.785 4.339 -7.088 1.00 0.57 H new ATOM 1189 N PHE A 77 19.338 9.624 -2.651 1.00 1.00 N ATOM 1190 CA PHE A 77 18.730 9.877 -1.314 1.00 0.84 C ATOM 1191 C PHE A 77 17.536 10.822 -1.470 1.00 0.62 C ATOM 1192 O PHE A 77 16.515 10.657 -0.833 1.00 0.59 O ATOM 1193 CB PHE A 77 19.771 10.519 -0.394 1.00 1.07 C ATOM 1194 CG PHE A 77 19.951 9.664 0.837 1.00 0.99 C ATOM 1195 CD1 PHE A 77 20.588 8.421 0.739 1.00 0.81 C ATOM 1196 CD2 PHE A 77 19.482 10.114 2.075 1.00 1.35 C ATOM 1197 CE1 PHE A 77 20.753 7.627 1.880 1.00 1.12 C ATOM 1198 CE2 PHE A 77 19.647 9.321 3.217 1.00 1.42 C ATOM 1199 CZ PHE A 77 20.282 8.078 3.120 1.00 1.32 C ATOM 0 H PHE A 77 20.326 9.866 -2.731 1.00 1.00 H new ATOM 0 HA PHE A 77 18.395 8.934 -0.881 1.00 0.84 H new ATOM 0 HB2 PHE A 77 20.720 10.624 -0.919 1.00 1.07 H new ATOM 0 HB3 PHE A 77 19.452 11.522 -0.110 1.00 1.07 H new ATOM 0 HD1 PHE A 77 20.952 8.075 -0.217 1.00 0.81 H new ATOM 0 HD2 PHE A 77 18.992 11.074 2.150 1.00 1.35 H new ATOM 0 HE1 PHE A 77 21.243 6.668 1.804 1.00 1.12 H new ATOM 0 HE2 PHE A 77 19.284 9.669 4.173 1.00 1.42 H new ATOM 0 HZ PHE A 77 20.409 7.466 4.001 1.00 1.32 H new ATOM 1209 N HIS A 78 17.660 11.814 -2.310 1.00 0.54 N ATOM 1210 CA HIS A 78 16.537 12.775 -2.508 1.00 0.47 C ATOM 1211 C HIS A 78 15.307 12.032 -3.031 1.00 0.42 C ATOM 1212 O HIS A 78 14.238 12.093 -2.454 1.00 0.33 O ATOM 1213 CB HIS A 78 16.952 13.842 -3.522 1.00 0.48 C ATOM 1214 CG HIS A 78 15.911 14.927 -3.561 1.00 0.62 C ATOM 1215 ND1 HIS A 78 15.432 15.453 -4.752 1.00 1.59 N ATOM 1216 CD2 HIS A 78 15.246 15.595 -2.563 1.00 0.23 C ATOM 1217 CE1 HIS A 78 14.519 16.393 -4.442 1.00 1.50 C ATOM 1218 NE2 HIS A 78 14.368 16.519 -3.120 1.00 0.56 N ATOM 0 H HIS A 78 18.493 12.001 -2.869 1.00 0.54 H new ATOM 0 HA HIS A 78 16.297 13.247 -1.556 1.00 0.47 H new ATOM 0 HB2 HIS A 78 17.920 14.262 -3.249 1.00 0.48 H new ATOM 0 HB3 HIS A 78 17.065 13.396 -4.510 1.00 0.48 H new ATOM 0 HD2 HIS A 78 15.384 15.428 -1.505 1.00 0.23 H new ATOM 0 HE1 HIS A 78 13.975 16.974 -5.172 1.00 1.50 H new ATOM 0 HE2 HIS A 78 13.743 17.156 -2.626 1.00 0.56 H new ATOM 1226 N ARG A 79 15.448 11.337 -4.124 1.00 0.50 N ATOM 1227 CA ARG A 79 14.287 10.592 -4.693 1.00 0.49 C ATOM 1228 C ARG A 79 13.760 9.571 -3.677 1.00 0.48 C ATOM 1229 O ARG A 79 12.629 9.135 -3.758 1.00 0.49 O ATOM 1230 CB ARG A 79 14.731 9.864 -5.965 1.00 0.55 C ATOM 1231 CG ARG A 79 14.560 10.791 -7.171 1.00 0.95 C ATOM 1232 CD ARG A 79 13.422 10.275 -8.055 1.00 0.21 C ATOM 1233 NE ARG A 79 12.138 10.906 -7.627 1.00 1.73 N ATOM 1234 CZ ARG A 79 11.065 10.841 -8.382 1.00 2.55 C ATOM 1235 NH1 ARG A 79 11.084 10.226 -9.540 1.00 2.38 N ATOM 1236 NH2 ARG A 79 9.961 11.400 -7.974 1.00 3.96 N ATOM 0 H ARG A 79 16.318 11.251 -4.650 1.00 0.50 H new ATOM 0 HA ARG A 79 13.490 11.298 -4.927 1.00 0.49 H new ATOM 0 HB2 ARG A 79 15.773 9.555 -5.875 1.00 0.55 H new ATOM 0 HB3 ARG A 79 14.141 8.958 -6.103 1.00 0.55 H new ATOM 0 HG2 ARG A 79 14.343 11.805 -6.836 1.00 0.95 H new ATOM 0 HG3 ARG A 79 15.487 10.836 -7.743 1.00 0.95 H new ATOM 0 HD2 ARG A 79 13.624 10.508 -9.100 1.00 0.21 H new ATOM 0 HD3 ARG A 79 13.350 9.190 -7.979 1.00 0.21 H new ATOM 0 HE ARG A 79 12.093 11.396 -6.733 1.00 1.73 H new ATOM 0 HH11 ARG A 79 11.943 9.786 -9.870 1.00 2.38 H new ATOM 0 HH12 ARG A 79 10.240 10.187 -10.111 1.00 2.38 H new ATOM 0 HH21 ARG A 79 9.935 11.883 -7.076 1.00 3.96 H new ATOM 0 HH22 ARG A 79 9.122 11.355 -8.553 1.00 3.96 H new ATOM 1250 N HIS A 80 14.560 9.181 -2.723 1.00 0.54 N ATOM 1251 CA HIS A 80 14.085 8.188 -1.719 1.00 0.55 C ATOM 1252 C HIS A 80 13.237 8.891 -0.660 1.00 0.50 C ATOM 1253 O HIS A 80 12.317 8.322 -0.114 1.00 0.44 O ATOM 1254 CB HIS A 80 15.286 7.521 -1.050 1.00 0.68 C ATOM 1255 CG HIS A 80 15.047 6.038 -0.963 1.00 0.62 C ATOM 1256 ND1 HIS A 80 14.396 5.453 0.112 1.00 0.94 N ATOM 1257 CD2 HIS A 80 15.363 5.007 -1.814 1.00 1.96 C ATOM 1258 CE1 HIS A 80 14.338 4.129 -0.119 1.00 0.86 C ATOM 1259 NE2 HIS A 80 14.914 3.803 -1.280 1.00 2.06 N ATOM 0 H HIS A 80 15.519 9.506 -2.596 1.00 0.54 H new ATOM 0 HA HIS A 80 13.482 7.431 -2.220 1.00 0.55 H new ATOM 0 HB2 HIS A 80 16.193 7.722 -1.621 1.00 0.68 H new ATOM 0 HB3 HIS A 80 15.438 7.935 -0.053 1.00 0.68 H new ATOM 0 HD2 HIS A 80 15.882 5.115 -2.755 1.00 1.96 H new ATOM 0 HE1 HIS A 80 13.882 3.416 0.552 1.00 0.86 H new ATOM 0 HE2 HIS A 80 15.005 2.872 -1.687 1.00 2.06 H new ATOM 1267 N LYS A 81 13.540 10.124 -0.365 1.00 0.61 N ATOM 1268 CA LYS A 81 12.752 10.861 0.663 1.00 0.70 C ATOM 1269 C LYS A 81 11.280 10.909 0.243 1.00 0.55 C ATOM 1270 O LYS A 81 10.387 10.806 1.059 1.00 0.54 O ATOM 1271 CB LYS A 81 13.292 12.287 0.789 1.00 0.93 C ATOM 1272 CG LYS A 81 14.670 12.257 1.456 1.00 1.32 C ATOM 1273 CD LYS A 81 14.821 13.473 2.374 1.00 1.09 C ATOM 1274 CE LYS A 81 15.397 13.034 3.721 1.00 0.50 C ATOM 1275 NZ LYS A 81 16.532 12.095 3.493 1.00 1.97 N ATOM 0 H LYS A 81 14.300 10.654 -0.791 1.00 0.61 H new ATOM 0 HA LYS A 81 12.838 10.351 1.622 1.00 0.70 H new ATOM 0 HB2 LYS A 81 13.364 12.748 -0.196 1.00 0.93 H new ATOM 0 HB3 LYS A 81 12.605 12.896 1.377 1.00 0.93 H new ATOM 0 HG2 LYS A 81 14.788 11.338 2.030 1.00 1.32 H new ATOM 0 HG3 LYS A 81 15.453 12.261 0.698 1.00 1.32 H new ATOM 0 HD2 LYS A 81 15.476 14.211 1.911 1.00 1.09 H new ATOM 0 HD3 LYS A 81 13.853 13.953 2.520 1.00 1.09 H new ATOM 0 HE2 LYS A 81 15.737 13.903 4.284 1.00 0.50 H new ATOM 0 HE3 LYS A 81 14.625 12.550 4.319 1.00 0.50 H new ATOM 0 HZ1 LYS A 81 17.243 12.221 4.242 1.00 1.97 H new ATOM 0 HZ2 LYS A 81 16.181 11.116 3.510 1.00 1.97 H new ATOM 0 HZ3 LYS A 81 16.965 12.292 2.568 1.00 1.97 H new ATOM 1289 N GLN A 82 11.024 11.071 -1.026 1.00 0.52 N ATOM 1290 CA GLN A 82 9.613 11.132 -1.504 1.00 0.53 C ATOM 1291 C GLN A 82 8.921 9.790 -1.250 1.00 0.28 C ATOM 1292 O GLN A 82 7.740 9.732 -0.970 1.00 0.35 O ATOM 1293 CB GLN A 82 9.602 11.434 -3.006 1.00 0.67 C ATOM 1294 CG GLN A 82 9.833 12.930 -3.230 1.00 0.75 C ATOM 1295 CD GLN A 82 8.814 13.462 -4.239 1.00 1.05 C ATOM 1296 OE1 GLN A 82 9.182 13.997 -5.266 1.00 2.01 O ATOM 1297 NE2 GLN A 82 7.539 13.339 -3.991 1.00 1.24 N ATOM 0 H GLN A 82 11.732 11.164 -1.754 1.00 0.52 H new ATOM 0 HA GLN A 82 9.082 11.917 -0.966 1.00 0.53 H new ATOM 0 HB2 GLN A 82 10.378 10.857 -3.509 1.00 0.67 H new ATOM 0 HB3 GLN A 82 8.649 11.134 -3.441 1.00 0.67 H new ATOM 0 HG2 GLN A 82 9.740 13.468 -2.286 1.00 0.75 H new ATOM 0 HG3 GLN A 82 10.845 13.101 -3.596 1.00 0.75 H new ATOM 0 HE21 GLN A 82 7.228 12.890 -3.129 1.00 1.24 H new ATOM 0 HE22 GLN A 82 6.853 13.692 -4.659 1.00 1.24 H new ATOM 1306 N LEU A 83 9.648 8.714 -1.357 1.00 0.13 N ATOM 1307 CA LEU A 83 9.040 7.368 -1.135 1.00 0.34 C ATOM 1308 C LEU A 83 8.681 7.185 0.345 1.00 0.41 C ATOM 1309 O LEU A 83 7.633 6.669 0.679 1.00 0.47 O ATOM 1310 CB LEU A 83 10.057 6.294 -1.550 1.00 0.55 C ATOM 1311 CG LEU A 83 9.571 4.897 -1.135 1.00 1.00 C ATOM 1312 CD1 LEU A 83 8.327 4.524 -1.941 1.00 1.18 C ATOM 1313 CD2 LEU A 83 10.677 3.872 -1.409 1.00 1.25 C ATOM 0 H LEU A 83 10.641 8.706 -1.589 1.00 0.13 H new ATOM 0 HA LEU A 83 8.131 7.278 -1.730 1.00 0.34 H new ATOM 0 HB2 LEU A 83 10.208 6.326 -2.629 1.00 0.55 H new ATOM 0 HB3 LEU A 83 11.022 6.501 -1.087 1.00 0.55 H new ATOM 0 HG LEU A 83 9.327 4.901 -0.073 1.00 1.00 H new ATOM 0 HD11 LEU A 83 7.985 3.533 -1.644 1.00 1.18 H new ATOM 0 HD12 LEU A 83 7.538 5.252 -1.751 1.00 1.18 H new ATOM 0 HD13 LEU A 83 8.569 4.521 -3.004 1.00 1.18 H new ATOM 0 HD21 LEU A 83 10.334 2.880 -1.115 1.00 1.25 H new ATOM 0 HD22 LEU A 83 10.918 3.873 -2.472 1.00 1.25 H new ATOM 0 HD23 LEU A 83 11.566 4.134 -0.835 1.00 1.25 H new ATOM 1325 N ILE A 84 9.553 7.573 1.233 1.00 0.48 N ATOM 1326 CA ILE A 84 9.273 7.387 2.688 1.00 0.63 C ATOM 1327 C ILE A 84 8.075 8.240 3.113 1.00 0.53 C ATOM 1328 O ILE A 84 7.288 7.843 3.948 1.00 0.65 O ATOM 1329 CB ILE A 84 10.504 7.793 3.506 1.00 0.78 C ATOM 1330 CG1 ILE A 84 11.772 7.215 2.868 1.00 1.01 C ATOM 1331 CG2 ILE A 84 10.369 7.252 4.931 1.00 0.80 C ATOM 1332 CD1 ILE A 84 11.498 5.802 2.345 1.00 1.03 C ATOM 0 H ILE A 84 10.448 8.011 1.016 1.00 0.48 H new ATOM 0 HA ILE A 84 9.042 6.337 2.869 1.00 0.63 H new ATOM 0 HB ILE A 84 10.574 8.881 3.526 1.00 0.78 H new ATOM 0 HG12 ILE A 84 12.103 7.856 2.051 1.00 1.01 H new ATOM 0 HG13 ILE A 84 12.579 7.190 3.600 1.00 1.01 H new ATOM 0 HG21 ILE A 84 11.244 7.540 5.514 1.00 0.80 H new ATOM 0 HG22 ILE A 84 9.473 7.665 5.394 1.00 0.80 H new ATOM 0 HG23 ILE A 84 10.294 6.165 4.902 1.00 0.80 H new ATOM 0 HD11 ILE A 84 12.404 5.399 1.893 1.00 1.03 H new ATOM 0 HD12 ILE A 84 11.189 5.162 3.171 1.00 1.03 H new ATOM 0 HD13 ILE A 84 10.705 5.838 1.598 1.00 1.03 H new ATOM 1344 N ARG A 85 7.934 9.409 2.557 1.00 0.37 N ATOM 1345 CA ARG A 85 6.787 10.282 2.944 1.00 0.33 C ATOM 1346 C ARG A 85 5.472 9.678 2.434 1.00 0.18 C ATOM 1347 O ARG A 85 4.484 9.626 3.140 1.00 0.18 O ATOM 1348 CB ARG A 85 6.977 11.671 2.327 1.00 0.38 C ATOM 1349 CG ARG A 85 7.522 12.639 3.385 1.00 0.50 C ATOM 1350 CD ARG A 85 8.879 13.195 2.938 1.00 1.09 C ATOM 1351 NE ARG A 85 8.910 14.681 3.142 1.00 1.59 N ATOM 1352 CZ ARG A 85 7.980 15.471 2.654 1.00 1.40 C ATOM 1353 NH1 ARG A 85 7.095 15.032 1.792 1.00 2.35 N ATOM 1354 NH2 ARG A 85 7.978 16.733 2.986 1.00 1.98 N ATOM 0 H ARG A 85 8.560 9.799 1.853 1.00 0.37 H new ATOM 0 HA ARG A 85 6.748 10.360 4.030 1.00 0.33 H new ATOM 0 HB2 ARG A 85 7.666 11.614 1.484 1.00 0.38 H new ATOM 0 HB3 ARG A 85 6.028 12.039 1.938 1.00 0.38 H new ATOM 0 HG2 ARG A 85 6.818 13.457 3.539 1.00 0.50 H new ATOM 0 HG3 ARG A 85 7.627 12.125 4.340 1.00 0.50 H new ATOM 0 HD2 ARG A 85 9.681 12.724 3.506 1.00 1.09 H new ATOM 0 HD3 ARG A 85 9.051 12.959 1.888 1.00 1.09 H new ATOM 0 HE ARG A 85 9.676 15.091 3.676 1.00 1.59 H new ATOM 0 HH11 ARG A 85 7.119 14.059 1.487 1.00 2.35 H new ATOM 0 HH12 ARG A 85 6.382 15.663 1.427 1.00 2.35 H new ATOM 0 HH21 ARG A 85 8.693 17.095 3.617 1.00 1.98 H new ATOM 0 HH22 ARG A 85 7.262 17.357 2.614 1.00 1.98 H new ATOM 1368 N PHE A 86 5.455 9.232 1.209 1.00 0.13 N ATOM 1369 CA PHE A 86 4.210 8.643 0.633 1.00 0.21 C ATOM 1370 C PHE A 86 3.829 7.362 1.379 1.00 0.34 C ATOM 1371 O PHE A 86 2.674 6.988 1.437 1.00 0.51 O ATOM 1372 CB PHE A 86 4.447 8.310 -0.840 1.00 0.23 C ATOM 1373 CG PHE A 86 3.631 9.236 -1.707 1.00 0.16 C ATOM 1374 CD1 PHE A 86 2.251 9.346 -1.508 1.00 0.52 C ATOM 1375 CD2 PHE A 86 4.256 9.981 -2.714 1.00 0.76 C ATOM 1376 CE1 PHE A 86 1.495 10.203 -2.315 1.00 0.52 C ATOM 1377 CE2 PHE A 86 3.500 10.838 -3.522 1.00 0.75 C ATOM 1378 CZ PHE A 86 2.118 10.950 -3.322 1.00 0.15 C ATOM 0 H PHE A 86 6.255 9.250 0.576 1.00 0.13 H new ATOM 0 HA PHE A 86 3.400 9.366 0.732 1.00 0.21 H new ATOM 0 HB2 PHE A 86 5.506 8.410 -1.080 1.00 0.23 H new ATOM 0 HB3 PHE A 86 4.172 7.274 -1.038 1.00 0.23 H new ATOM 0 HD1 PHE A 86 1.769 8.770 -0.732 1.00 0.52 H new ATOM 0 HD2 PHE A 86 5.322 9.894 -2.867 1.00 0.76 H new ATOM 0 HE1 PHE A 86 0.429 10.288 -2.161 1.00 0.52 H new ATOM 0 HE2 PHE A 86 3.982 11.413 -4.299 1.00 0.75 H new ATOM 0 HZ PHE A 86 1.534 11.612 -3.944 1.00 0.15 H new ATOM 1388 N LEU A 87 4.786 6.675 1.932 1.00 0.46 N ATOM 1389 CA LEU A 87 4.471 5.410 2.653 1.00 0.58 C ATOM 1390 C LEU A 87 3.829 5.716 4.008 1.00 0.50 C ATOM 1391 O LEU A 87 2.760 5.227 4.315 1.00 0.36 O ATOM 1392 CB LEU A 87 5.756 4.611 2.854 1.00 0.71 C ATOM 1393 CG LEU A 87 6.029 3.784 1.597 1.00 1.32 C ATOM 1394 CD1 LEU A 87 7.503 3.384 1.553 1.00 2.53 C ATOM 1395 CD2 LEU A 87 5.156 2.530 1.621 1.00 0.86 C ATOM 0 H LEU A 87 5.773 6.933 1.917 1.00 0.46 H new ATOM 0 HA LEU A 87 3.767 4.826 2.061 1.00 0.58 H new ATOM 0 HB2 LEU A 87 6.591 5.284 3.051 1.00 0.71 H new ATOM 0 HB3 LEU A 87 5.662 3.958 3.721 1.00 0.71 H new ATOM 0 HG LEU A 87 5.794 4.376 0.713 1.00 1.32 H new ATOM 0 HD11 LEU A 87 7.694 2.795 0.656 1.00 2.53 H new ATOM 0 HD12 LEU A 87 8.123 4.280 1.537 1.00 2.53 H new ATOM 0 HD13 LEU A 87 7.746 2.791 2.435 1.00 2.53 H new ATOM 0 HD21 LEU A 87 5.347 1.937 0.727 1.00 0.86 H new ATOM 0 HD22 LEU A 87 5.392 1.939 2.506 1.00 0.86 H new ATOM 0 HD23 LEU A 87 4.105 2.819 1.648 1.00 0.86 H new ATOM 1407 N LYS A 88 4.460 6.513 4.824 1.00 0.62 N ATOM 1408 CA LYS A 88 3.862 6.829 6.153 1.00 0.54 C ATOM 1409 C LYS A 88 2.457 7.406 5.956 1.00 0.49 C ATOM 1410 O LYS A 88 1.585 7.240 6.785 1.00 0.45 O ATOM 1411 CB LYS A 88 4.737 7.850 6.885 1.00 0.64 C ATOM 1412 CG LYS A 88 6.130 7.260 7.118 1.00 0.69 C ATOM 1413 CD LYS A 88 6.775 7.931 8.332 1.00 1.04 C ATOM 1414 CE LYS A 88 6.375 7.180 9.605 1.00 2.07 C ATOM 1415 NZ LYS A 88 6.690 8.019 10.795 1.00 2.43 N ATOM 0 H LYS A 88 5.358 6.957 4.631 1.00 0.62 H new ATOM 0 HA LYS A 88 3.801 5.917 6.747 1.00 0.54 H new ATOM 0 HB2 LYS A 88 4.812 8.766 6.299 1.00 0.64 H new ATOM 0 HB3 LYS A 88 4.281 8.118 7.838 1.00 0.64 H new ATOM 0 HG2 LYS A 88 6.058 6.184 7.280 1.00 0.69 H new ATOM 0 HG3 LYS A 88 6.751 7.409 6.235 1.00 0.69 H new ATOM 0 HD2 LYS A 88 7.860 7.934 8.225 1.00 1.04 H new ATOM 0 HD3 LYS A 88 6.458 8.972 8.397 1.00 1.04 H new ATOM 0 HE2 LYS A 88 5.311 6.946 9.583 1.00 2.07 H new ATOM 0 HE3 LYS A 88 6.909 6.231 9.664 1.00 2.07 H new ATOM 0 HZ1 LYS A 88 6.419 7.510 11.660 1.00 2.43 H new ATOM 0 HZ2 LYS A 88 7.710 8.221 10.817 1.00 2.43 H new ATOM 0 HZ3 LYS A 88 6.161 8.913 10.739 1.00 2.43 H new ATOM 1429 N ARG A 89 2.229 8.081 4.862 1.00 0.53 N ATOM 1430 CA ARG A 89 0.879 8.666 4.617 1.00 0.51 C ATOM 1431 C ARG A 89 -0.117 7.547 4.290 1.00 0.48 C ATOM 1432 O ARG A 89 -1.232 7.527 4.780 1.00 0.40 O ATOM 1433 CB ARG A 89 0.961 9.649 3.444 1.00 0.61 C ATOM 1434 CG ARG A 89 -0.449 10.036 2.995 1.00 0.59 C ATOM 1435 CD ARG A 89 -0.432 11.462 2.444 1.00 0.38 C ATOM 1436 NE ARG A 89 -1.534 11.627 1.450 1.00 0.93 N ATOM 1437 CZ ARG A 89 -1.899 12.820 1.037 1.00 0.92 C ATOM 1438 NH1 ARG A 89 -1.291 13.901 1.462 1.00 0.46 N ATOM 1439 NH2 ARG A 89 -2.879 12.930 0.183 1.00 1.71 N ATOM 0 H ARG A 89 2.917 8.253 4.129 1.00 0.53 H new ATOM 0 HA ARG A 89 0.540 9.193 5.509 1.00 0.51 H new ATOM 0 HB2 ARG A 89 1.515 10.539 3.741 1.00 0.61 H new ATOM 0 HB3 ARG A 89 1.505 9.196 2.615 1.00 0.61 H new ATOM 0 HG2 ARG A 89 -0.802 9.343 2.231 1.00 0.59 H new ATOM 0 HG3 ARG A 89 -1.142 9.966 3.834 1.00 0.59 H new ATOM 0 HD2 ARG A 89 -0.551 12.178 3.257 1.00 0.38 H new ATOM 0 HD3 ARG A 89 0.529 11.670 1.974 1.00 0.38 H new ATOM 0 HE ARG A 89 -2.010 10.802 1.086 1.00 0.93 H new ATOM 0 HH11 ARG A 89 -0.520 13.825 2.125 1.00 0.46 H new ATOM 0 HH12 ARG A 89 -1.589 14.818 1.129 1.00 0.46 H new ATOM 0 HH21 ARG A 89 -3.354 12.095 -0.158 1.00 1.71 H new ATOM 0 HH22 ARG A 89 -3.170 13.851 -0.144 1.00 1.71 H new ATOM 1453 N LEU A 90 0.275 6.618 3.466 1.00 0.57 N ATOM 1454 CA LEU A 90 -0.643 5.500 3.101 1.00 0.55 C ATOM 1455 C LEU A 90 -0.881 4.589 4.312 1.00 0.37 C ATOM 1456 O LEU A 90 -1.831 3.837 4.347 1.00 0.27 O ATOM 1457 CB LEU A 90 -0.017 4.677 1.969 1.00 0.72 C ATOM 1458 CG LEU A 90 -1.007 4.561 0.809 1.00 0.62 C ATOM 1459 CD1 LEU A 90 -0.369 3.773 -0.336 1.00 2.29 C ATOM 1460 CD2 LEU A 90 -2.266 3.834 1.282 1.00 1.34 C ATOM 0 H LEU A 90 1.195 6.583 3.027 1.00 0.57 H new ATOM 0 HA LEU A 90 -1.596 5.918 2.777 1.00 0.55 H new ATOM 0 HB2 LEU A 90 0.904 5.150 1.628 1.00 0.72 H new ATOM 0 HB3 LEU A 90 0.250 3.685 2.332 1.00 0.72 H new ATOM 0 HG LEU A 90 -1.270 5.560 0.461 1.00 0.62 H new ATOM 0 HD11 LEU A 90 -1.077 3.692 -1.161 1.00 2.29 H new ATOM 0 HD12 LEU A 90 0.528 4.289 -0.677 1.00 2.29 H new ATOM 0 HD13 LEU A 90 -0.103 2.775 0.013 1.00 2.29 H new ATOM 0 HD21 LEU A 90 -2.971 3.752 0.455 1.00 1.34 H new ATOM 0 HD22 LEU A 90 -2.000 2.837 1.633 1.00 1.34 H new ATOM 0 HD23 LEU A 90 -2.726 4.394 2.096 1.00 1.34 H new ATOM 1472 N ASP A 91 -0.028 4.635 5.299 1.00 0.37 N ATOM 1473 CA ASP A 91 -0.219 3.749 6.485 1.00 0.30 C ATOM 1474 C ASP A 91 -1.535 4.077 7.193 1.00 0.12 C ATOM 1475 O ASP A 91 -2.363 3.215 7.410 1.00 0.13 O ATOM 1476 CB ASP A 91 0.942 3.945 7.464 1.00 0.42 C ATOM 1477 CG ASP A 91 0.431 3.778 8.895 1.00 1.52 C ATOM 1478 OD1 ASP A 91 0.099 2.660 9.259 1.00 1.90 O ATOM 1479 OD2 ASP A 91 0.375 4.768 9.604 1.00 2.51 O ATOM 0 H ASP A 91 0.789 5.244 5.337 1.00 0.37 H new ATOM 0 HA ASP A 91 -0.248 2.714 6.145 1.00 0.30 H new ATOM 0 HB2 ASP A 91 1.730 3.220 7.260 1.00 0.42 H new ATOM 0 HB3 ASP A 91 1.378 4.936 7.335 1.00 0.42 H new ATOM 1484 N ARG A 92 -1.731 5.311 7.572 1.00 0.11 N ATOM 1485 CA ARG A 92 -2.989 5.676 8.283 1.00 0.21 C ATOM 1486 C ARG A 92 -4.149 5.797 7.290 1.00 0.26 C ATOM 1487 O ARG A 92 -5.299 5.684 7.659 1.00 0.36 O ATOM 1488 CB ARG A 92 -2.795 7.010 9.010 1.00 0.42 C ATOM 1489 CG ARG A 92 -3.753 7.083 10.201 1.00 1.20 C ATOM 1490 CD ARG A 92 -4.990 7.896 9.814 1.00 3.19 C ATOM 1491 NE ARG A 92 -4.655 9.350 9.820 1.00 4.11 N ATOM 1492 CZ ARG A 92 -5.440 10.228 9.238 1.00 5.76 C ATOM 1493 NH1 ARG A 92 -6.534 9.858 8.614 1.00 6.66 N ATOM 1494 NH2 ARG A 92 -5.126 11.494 9.279 1.00 6.63 N ATOM 0 H ARG A 92 -1.077 6.079 7.421 1.00 0.11 H new ATOM 0 HA ARG A 92 -3.226 4.894 9.005 1.00 0.21 H new ATOM 0 HB2 ARG A 92 -1.764 7.104 9.352 1.00 0.42 H new ATOM 0 HB3 ARG A 92 -2.981 7.839 8.328 1.00 0.42 H new ATOM 0 HG2 ARG A 92 -4.046 6.079 10.507 1.00 1.20 H new ATOM 0 HG3 ARG A 92 -3.255 7.544 11.054 1.00 1.20 H new ATOM 0 HD2 ARG A 92 -5.340 7.597 8.826 1.00 3.19 H new ATOM 0 HD3 ARG A 92 -5.802 7.697 10.513 1.00 3.19 H new ATOM 0 HE ARG A 92 -3.803 9.667 10.283 1.00 4.11 H new ATOM 0 HH11 ARG A 92 -6.789 8.871 8.574 1.00 6.66 H new ATOM 0 HH12 ARG A 92 -7.129 10.557 8.169 1.00 6.66 H new ATOM 0 HH21 ARG A 92 -4.278 11.794 9.760 1.00 6.63 H new ATOM 0 HH22 ARG A 92 -5.729 12.184 8.830 1.00 6.63 H new ATOM 1508 N ASN A 93 -3.870 6.035 6.039 1.00 0.37 N ATOM 1509 CA ASN A 93 -4.983 6.170 5.054 1.00 0.60 C ATOM 1510 C ASN A 93 -5.494 4.790 4.615 1.00 0.64 C ATOM 1511 O ASN A 93 -6.571 4.673 4.063 1.00 0.97 O ATOM 1512 CB ASN A 93 -4.488 6.939 3.830 1.00 0.78 C ATOM 1513 CG ASN A 93 -4.688 8.439 4.054 1.00 0.77 C ATOM 1514 OD1 ASN A 93 -4.872 8.878 5.172 1.00 0.45 O ATOM 1515 ND2 ASN A 93 -4.659 9.249 3.031 1.00 1.83 N ATOM 0 H ASN A 93 -2.930 6.141 5.657 1.00 0.37 H new ATOM 0 HA ASN A 93 -5.802 6.710 5.529 1.00 0.60 H new ATOM 0 HB2 ASN A 93 -3.434 6.724 3.654 1.00 0.78 H new ATOM 0 HB3 ASN A 93 -5.031 6.618 2.941 1.00 0.78 H new ATOM 0 HD21 ASN A 93 -4.791 10.251 3.170 1.00 1.83 H new ATOM 0 HD22 ASN A 93 -4.504 8.880 2.093 1.00 1.83 H new ATOM 1522 N LEU A 94 -4.744 3.746 4.843 1.00 0.65 N ATOM 1523 CA LEU A 94 -5.212 2.394 4.420 1.00 0.82 C ATOM 1524 C LEU A 94 -6.106 1.784 5.504 1.00 0.68 C ATOM 1525 O LEU A 94 -7.237 1.417 5.253 1.00 0.70 O ATOM 1526 CB LEU A 94 -4.004 1.484 4.181 1.00 1.02 C ATOM 1527 CG LEU A 94 -4.250 0.609 2.950 1.00 0.99 C ATOM 1528 CD1 LEU A 94 -4.335 1.491 1.704 1.00 0.40 C ATOM 1529 CD2 LEU A 94 -3.097 -0.385 2.791 1.00 1.40 C ATOM 0 H LEU A 94 -3.833 3.769 5.301 1.00 0.65 H new ATOM 0 HA LEU A 94 -5.785 2.489 3.498 1.00 0.82 H new ATOM 0 HB2 LEU A 94 -3.107 2.086 4.037 1.00 1.02 H new ATOM 0 HB3 LEU A 94 -3.831 0.857 5.056 1.00 1.02 H new ATOM 0 HG LEU A 94 -5.186 0.065 3.075 1.00 0.99 H new ATOM 0 HD11 LEU A 94 -4.510 0.867 0.828 1.00 0.40 H new ATOM 0 HD12 LEU A 94 -5.156 2.199 1.815 1.00 0.40 H new ATOM 0 HD13 LEU A 94 -3.399 2.036 1.580 1.00 0.40 H new ATOM 0 HD21 LEU A 94 -3.272 -1.008 1.914 1.00 1.40 H new ATOM 0 HD22 LEU A 94 -2.161 0.160 2.668 1.00 1.40 H new ATOM 0 HD23 LEU A 94 -3.035 -1.016 3.678 1.00 1.40 H new ATOM 1541 N TRP A 95 -5.609 1.659 6.705 1.00 0.63 N ATOM 1542 CA TRP A 95 -6.437 1.056 7.792 1.00 0.59 C ATOM 1543 C TRP A 95 -7.223 2.138 8.534 1.00 0.44 C ATOM 1544 O TRP A 95 -8.214 1.854 9.178 1.00 0.47 O ATOM 1545 CB TRP A 95 -5.531 0.321 8.773 1.00 0.78 C ATOM 1546 CG TRP A 95 -5.216 1.210 9.928 1.00 0.75 C ATOM 1547 CD1 TRP A 95 -4.119 1.981 10.019 1.00 1.27 C ATOM 1548 CD2 TRP A 95 -5.979 1.428 11.149 1.00 1.22 C ATOM 1549 NE1 TRP A 95 -4.150 2.667 11.223 1.00 1.55 N ATOM 1550 CE2 TRP A 95 -5.282 2.357 11.955 1.00 1.45 C ATOM 1551 CE3 TRP A 95 -7.194 0.915 11.626 1.00 1.97 C ATOM 1552 CZ2 TRP A 95 -5.776 2.763 13.194 1.00 2.00 C ATOM 1553 CZ3 TRP A 95 -7.696 1.320 12.873 1.00 2.60 C ATOM 1554 CH2 TRP A 95 -6.987 2.242 13.657 1.00 2.50 C ATOM 0 H TRP A 95 -4.670 1.946 6.981 1.00 0.63 H new ATOM 0 HA TRP A 95 -7.143 0.356 7.346 1.00 0.59 H new ATOM 0 HB2 TRP A 95 -6.020 -0.588 9.124 1.00 0.78 H new ATOM 0 HB3 TRP A 95 -4.611 0.016 8.275 1.00 0.78 H new ATOM 0 HD1 TRP A 95 -3.340 2.054 9.275 1.00 1.27 H new ATOM 0 HE1 TRP A 95 -3.428 3.319 11.531 1.00 1.55 H new ATOM 0 HE3 TRP A 95 -7.747 0.204 11.030 1.00 1.97 H new ATOM 0 HZ2 TRP A 95 -5.226 3.475 13.792 1.00 2.00 H new ATOM 0 HZ3 TRP A 95 -8.633 0.919 13.231 1.00 2.60 H new ATOM 0 HH2 TRP A 95 -7.376 2.549 14.617 1.00 2.50 H new ATOM 1565 N GLY A 96 -6.791 3.367 8.463 1.00 0.38 N ATOM 1566 CA GLY A 96 -7.528 4.458 9.172 1.00 0.36 C ATOM 1567 C GLY A 96 -9.002 4.408 8.767 1.00 0.37 C ATOM 1568 O GLY A 96 -9.887 4.435 9.598 1.00 0.27 O ATOM 0 H GLY A 96 -5.963 3.665 7.947 1.00 0.38 H new ATOM 0 HA2 GLY A 96 -7.430 4.339 10.251 1.00 0.36 H new ATOM 0 HA3 GLY A 96 -7.100 5.428 8.918 1.00 0.36 H new ATOM 1572 N LEU A 97 -9.268 4.309 7.494 1.00 0.53 N ATOM 1573 CA LEU A 97 -10.680 4.228 7.028 1.00 0.61 C ATOM 1574 C LEU A 97 -11.207 2.801 7.242 1.00 0.57 C ATOM 1575 O LEU A 97 -12.400 2.573 7.303 1.00 0.71 O ATOM 1576 CB LEU A 97 -10.743 4.575 5.538 1.00 0.81 C ATOM 1577 CG LEU A 97 -12.198 4.799 5.123 1.00 0.45 C ATOM 1578 CD1 LEU A 97 -12.434 6.289 4.873 1.00 1.17 C ATOM 1579 CD2 LEU A 97 -12.486 4.016 3.840 1.00 0.54 C ATOM 0 H LEU A 97 -8.566 4.281 6.755 1.00 0.53 H new ATOM 0 HA LEU A 97 -11.292 4.931 7.593 1.00 0.61 H new ATOM 0 HB2 LEU A 97 -10.155 5.471 5.338 1.00 0.81 H new ATOM 0 HB3 LEU A 97 -10.306 3.769 4.948 1.00 0.81 H new ATOM 0 HG LEU A 97 -12.860 4.455 5.918 1.00 0.45 H new ATOM 0 HD11 LEU A 97 -13.471 6.449 4.577 1.00 1.17 H new ATOM 0 HD12 LEU A 97 -12.227 6.848 5.785 1.00 1.17 H new ATOM 0 HD13 LEU A 97 -11.773 6.634 4.078 1.00 1.17 H new ATOM 0 HD21 LEU A 97 -13.523 4.174 3.542 1.00 0.54 H new ATOM 0 HD22 LEU A 97 -11.824 4.362 3.046 1.00 0.54 H new ATOM 0 HD23 LEU A 97 -12.317 2.954 4.016 1.00 0.54 H new ATOM 1591 N ALA A 98 -10.325 1.838 7.352 1.00 0.50 N ATOM 1592 CA ALA A 98 -10.764 0.432 7.557 1.00 0.47 C ATOM 1593 C ALA A 98 -11.624 0.342 8.820 1.00 0.55 C ATOM 1594 O ALA A 98 -12.813 0.102 8.760 1.00 0.92 O ATOM 1595 CB ALA A 98 -9.529 -0.464 7.715 1.00 0.38 C ATOM 0 H ALA A 98 -9.315 1.971 7.308 1.00 0.50 H new ATOM 0 HA ALA A 98 -11.349 0.103 6.698 1.00 0.47 H new ATOM 0 HB1 ALA A 98 -9.845 -1.496 7.866 1.00 0.38 H new ATOM 0 HB2 ALA A 98 -8.916 -0.400 6.816 1.00 0.38 H new ATOM 0 HB3 ALA A 98 -8.947 -0.133 8.576 1.00 0.38 H new ATOM 1601 N GLY A 99 -11.030 0.539 9.965 1.00 0.44 N ATOM 1602 CA GLY A 99 -11.818 0.471 11.233 1.00 0.81 C ATOM 1603 C GLY A 99 -11.060 -0.337 12.294 1.00 0.60 C ATOM 1604 O GLY A 99 -10.896 0.101 13.416 1.00 1.74 O ATOM 0 H GLY A 99 -10.037 0.743 10.080 1.00 0.44 H new ATOM 0 HA2 GLY A 99 -12.010 1.478 11.603 1.00 0.81 H new ATOM 0 HA3 GLY A 99 -12.788 0.011 11.041 1.00 0.81 H new ATOM 1608 N LEU A 100 -10.606 -1.514 11.957 1.00 0.95 N ATOM 1609 CA LEU A 100 -9.870 -2.344 12.959 1.00 0.60 C ATOM 1610 C LEU A 100 -8.371 -2.044 12.874 1.00 0.87 C ATOM 1611 O LEU A 100 -7.819 -1.882 11.805 1.00 1.78 O ATOM 1612 CB LEU A 100 -10.119 -3.827 12.675 1.00 1.46 C ATOM 1613 CG LEU A 100 -11.619 -4.061 12.486 1.00 1.87 C ATOM 1614 CD1 LEU A 100 -11.943 -4.121 10.993 1.00 1.70 C ATOM 1615 CD2 LEU A 100 -12.017 -5.383 13.148 1.00 2.71 C ATOM 0 H LEU A 100 -10.711 -1.937 11.035 1.00 0.95 H new ATOM 0 HA LEU A 100 -10.226 -2.104 13.961 1.00 0.60 H new ATOM 0 HB2 LEU A 100 -9.576 -4.134 11.781 1.00 1.46 H new ATOM 0 HB3 LEU A 100 -9.746 -4.435 13.499 1.00 1.46 H new ATOM 0 HG LEU A 100 -12.174 -3.243 12.945 1.00 1.87 H new ATOM 0 HD11 LEU A 100 -13.012 -4.288 10.859 1.00 1.70 H new ATOM 0 HD12 LEU A 100 -11.661 -3.180 10.521 1.00 1.70 H new ATOM 0 HD13 LEU A 100 -11.388 -4.938 10.533 1.00 1.70 H new ATOM 0 HD21 LEU A 100 -13.086 -5.550 13.014 1.00 2.71 H new ATOM 0 HD22 LEU A 100 -11.461 -6.201 12.690 1.00 2.71 H new ATOM 0 HD23 LEU A 100 -11.788 -5.340 14.213 1.00 2.71 H new ATOM 1627 N ASN A 101 -7.710 -1.958 13.997 1.00 1.28 N ATOM 1628 CA ASN A 101 -6.251 -1.654 13.985 1.00 2.19 C ATOM 1629 C ASN A 101 -5.447 -2.887 13.556 1.00 2.02 C ATOM 1630 O ASN A 101 -4.991 -2.982 12.435 1.00 2.27 O ATOM 1631 CB ASN A 101 -5.813 -1.226 15.386 1.00 3.02 C ATOM 1632 CG ASN A 101 -5.522 0.275 15.391 1.00 4.43 C ATOM 1633 OD1 ASN A 101 -6.237 1.064 16.147 1.00 5.56 O flip ATOM 1634 ND2 ASN A 101 -4.639 0.736 14.695 1.00 4.69 N flip ATOM 0 H ASN A 101 -8.118 -2.085 14.923 1.00 1.28 H new ATOM 0 HA ASN A 101 -6.065 -0.850 13.273 1.00 2.19 H new ATOM 0 HB2 ASN A 101 -6.594 -1.459 16.110 1.00 3.02 H new ATOM 0 HB3 ASN A 101 -4.924 -1.781 15.686 1.00 3.02 H new ATOM 0 HD21 ASN A 101 -4.081 0.119 14.105 1.00 4.69 H new ATOM 0 HD22 ASN A 101 -4.456 1.739 14.701 1.00 4.69 H new ATOM 1641 N SER A 102 -5.255 -3.822 14.447 1.00 1.70 N ATOM 1642 CA SER A 102 -4.463 -5.037 14.099 1.00 1.54 C ATOM 1643 C SER A 102 -5.331 -6.035 13.329 1.00 0.74 C ATOM 1644 O SER A 102 -6.505 -6.193 13.603 1.00 0.77 O ATOM 1645 CB SER A 102 -3.957 -5.694 15.383 1.00 1.92 C ATOM 1646 OG SER A 102 -5.032 -6.377 16.015 1.00 0.54 O ATOM 0 H SER A 102 -5.613 -3.797 15.402 1.00 1.70 H new ATOM 0 HA SER A 102 -3.621 -4.743 13.473 1.00 1.54 H new ATOM 0 HB2 SER A 102 -3.151 -6.392 15.155 1.00 1.92 H new ATOM 0 HB3 SER A 102 -3.545 -4.940 16.054 1.00 1.92 H new ATOM 0 HG SER A 102 -4.711 -6.801 16.838 1.00 0.54 H new ATOM 1652 N CYS A 103 -4.758 -6.718 12.375 1.00 0.52 N ATOM 1653 CA CYS A 103 -5.543 -7.716 11.596 1.00 0.57 C ATOM 1654 C CYS A 103 -4.652 -8.930 11.295 1.00 0.84 C ATOM 1655 O CYS A 103 -3.445 -8.808 11.254 1.00 0.82 O ATOM 1656 CB CYS A 103 -6.021 -7.087 10.284 1.00 1.11 C ATOM 1657 SG CYS A 103 -4.755 -5.954 9.654 1.00 1.23 S ATOM 0 H CYS A 103 -3.779 -6.627 12.102 1.00 0.52 H new ATOM 0 HA CYS A 103 -6.411 -8.033 12.174 1.00 0.57 H new ATOM 0 HB2 CYS A 103 -6.224 -7.866 9.549 1.00 1.11 H new ATOM 0 HB3 CYS A 103 -6.955 -6.550 10.446 1.00 1.11 H new ATOM 1662 N PRO A 104 -5.273 -10.069 11.104 1.00 1.55 N ATOM 1663 CA PRO A 104 -4.546 -11.320 10.814 1.00 1.91 C ATOM 1664 C PRO A 104 -3.797 -11.217 9.479 1.00 1.41 C ATOM 1665 O PRO A 104 -4.380 -11.343 8.421 1.00 1.92 O ATOM 1666 CB PRO A 104 -5.634 -12.399 10.738 1.00 2.79 C ATOM 1667 CG PRO A 104 -7.003 -11.703 10.949 1.00 3.03 C ATOM 1668 CD PRO A 104 -6.738 -10.204 11.162 1.00 2.22 C ATOM 0 HA PRO A 104 -3.796 -11.542 11.574 1.00 1.91 H new ATOM 0 HB2 PRO A 104 -5.606 -12.903 9.772 1.00 2.79 H new ATOM 0 HB3 PRO A 104 -5.471 -13.161 11.500 1.00 2.79 H new ATOM 0 HG2 PRO A 104 -7.648 -11.858 10.084 1.00 3.03 H new ATOM 0 HG3 PRO A 104 -7.518 -12.126 11.811 1.00 3.03 H new ATOM 0 HD2 PRO A 104 -7.221 -9.603 10.391 1.00 2.22 H new ATOM 0 HD3 PRO A 104 -7.129 -9.866 12.122 1.00 2.22 H new ATOM 1676 N VAL A 105 -2.509 -11.004 9.523 1.00 0.81 N ATOM 1677 CA VAL A 105 -1.724 -10.910 8.260 1.00 0.27 C ATOM 1678 C VAL A 105 -0.884 -12.178 8.100 1.00 0.30 C ATOM 1679 O VAL A 105 0.324 -12.124 7.984 1.00 0.67 O ATOM 1680 CB VAL A 105 -0.803 -9.686 8.312 1.00 0.63 C ATOM 1681 CG1 VAL A 105 -1.650 -8.412 8.322 1.00 2.10 C ATOM 1682 CG2 VAL A 105 0.047 -9.738 9.584 1.00 2.32 C ATOM 0 H VAL A 105 -1.967 -10.891 10.380 1.00 0.81 H new ATOM 0 HA VAL A 105 -2.403 -10.808 7.414 1.00 0.27 H new ATOM 0 HB VAL A 105 -0.151 -9.686 7.438 1.00 0.63 H new ATOM 0 HG11 VAL A 105 -0.996 -7.541 8.359 1.00 2.10 H new ATOM 0 HG12 VAL A 105 -2.257 -8.372 7.418 1.00 2.10 H new ATOM 0 HG13 VAL A 105 -2.301 -8.415 9.196 1.00 2.10 H new ATOM 0 HG21 VAL A 105 0.702 -8.867 9.620 1.00 2.32 H new ATOM 0 HG22 VAL A 105 -0.605 -9.738 10.458 1.00 2.32 H new ATOM 0 HG23 VAL A 105 0.651 -10.646 9.581 1.00 2.32 H new ATOM 1692 N LYS A 106 -1.512 -13.324 8.099 1.00 0.18 N ATOM 1693 CA LYS A 106 -0.746 -14.594 7.953 1.00 0.13 C ATOM 1694 C LYS A 106 -1.435 -15.499 6.930 1.00 0.61 C ATOM 1695 O LYS A 106 -1.568 -16.689 7.133 1.00 1.26 O ATOM 1696 CB LYS A 106 -0.688 -15.310 9.303 1.00 0.48 C ATOM 1697 CG LYS A 106 0.163 -14.496 10.280 1.00 1.23 C ATOM 1698 CD LYS A 106 1.305 -15.368 10.807 1.00 1.61 C ATOM 1699 CE LYS A 106 2.499 -14.484 11.169 1.00 3.26 C ATOM 1700 NZ LYS A 106 3.284 -14.186 9.938 1.00 4.04 N ATOM 0 H LYS A 106 -2.522 -13.434 8.193 1.00 0.18 H new ATOM 0 HA LYS A 106 0.264 -14.368 7.613 1.00 0.13 H new ATOM 0 HB2 LYS A 106 -1.694 -15.438 9.701 1.00 0.48 H new ATOM 0 HB3 LYS A 106 -0.265 -16.307 9.179 1.00 0.48 H new ATOM 0 HG2 LYS A 106 0.565 -13.613 9.782 1.00 1.23 H new ATOM 0 HG3 LYS A 106 -0.452 -14.143 11.108 1.00 1.23 H new ATOM 0 HD2 LYS A 106 0.975 -15.927 11.682 1.00 1.61 H new ATOM 0 HD3 LYS A 106 1.596 -16.099 10.053 1.00 1.61 H new ATOM 0 HE2 LYS A 106 2.154 -13.557 11.627 1.00 3.26 H new ATOM 0 HE3 LYS A 106 3.129 -14.987 11.903 1.00 3.26 H new ATOM 0 HZ1 LYS A 106 4.097 -13.585 10.182 1.00 4.04 H new ATOM 0 HZ2 LYS A 106 3.624 -15.075 9.519 1.00 4.04 H new ATOM 0 HZ3 LYS A 106 2.680 -13.690 9.252 1.00 4.04 H new ATOM 1714 N GLU A 107 -1.871 -14.949 5.831 1.00 0.86 N ATOM 1715 CA GLU A 107 -2.545 -15.786 4.799 1.00 1.23 C ATOM 1716 C GLU A 107 -1.783 -15.678 3.485 1.00 1.09 C ATOM 1717 O GLU A 107 -2.347 -15.418 2.440 1.00 1.53 O ATOM 1718 CB GLU A 107 -3.989 -15.313 4.610 1.00 1.70 C ATOM 1719 CG GLU A 107 -4.828 -16.448 4.020 1.00 1.96 C ATOM 1720 CD GLU A 107 -5.608 -17.146 5.137 1.00 2.05 C ATOM 1721 OE1 GLU A 107 -6.114 -16.450 6.005 1.00 2.36 O ATOM 1722 OE2 GLU A 107 -5.689 -18.362 5.106 1.00 2.57 O ATOM 0 H GLU A 107 -1.790 -13.958 5.603 1.00 0.86 H new ATOM 0 HA GLU A 107 -2.556 -16.827 5.124 1.00 1.23 H new ATOM 0 HB2 GLU A 107 -4.407 -14.997 5.566 1.00 1.70 H new ATOM 0 HB3 GLU A 107 -4.015 -14.447 3.949 1.00 1.70 H new ATOM 0 HG2 GLU A 107 -5.517 -16.054 3.273 1.00 1.96 H new ATOM 0 HG3 GLU A 107 -4.183 -17.164 3.511 1.00 1.96 H new ATOM 1729 N ALA A 108 -0.501 -15.890 3.532 1.00 0.59 N ATOM 1730 CA ALA A 108 0.315 -15.816 2.296 1.00 0.41 C ATOM 1731 C ALA A 108 1.750 -16.217 2.621 1.00 0.37 C ATOM 1732 O ALA A 108 2.224 -16.033 3.725 1.00 0.67 O ATOM 1733 CB ALA A 108 0.289 -14.393 1.742 1.00 0.64 C ATOM 0 H ALA A 108 0.019 -16.113 4.381 1.00 0.59 H new ATOM 0 HA ALA A 108 -0.094 -16.494 1.547 1.00 0.41 H new ATOM 0 HB1 ALA A 108 0.890 -14.345 0.834 1.00 0.64 H new ATOM 0 HB2 ALA A 108 -0.738 -14.111 1.512 1.00 0.64 H new ATOM 0 HB3 ALA A 108 0.697 -13.706 2.484 1.00 0.64 H new ATOM 1739 N ASP A 109 2.441 -16.766 1.671 1.00 0.35 N ATOM 1740 CA ASP A 109 3.848 -17.186 1.919 1.00 0.71 C ATOM 1741 C ASP A 109 4.795 -16.045 1.541 1.00 0.69 C ATOM 1742 O ASP A 109 5.244 -15.297 2.387 1.00 1.51 O ATOM 1743 CB ASP A 109 4.164 -18.426 1.080 1.00 1.02 C ATOM 1744 CG ASP A 109 3.402 -19.626 1.646 1.00 1.33 C ATOM 1745 OD1 ASP A 109 3.877 -20.203 2.610 1.00 1.90 O ATOM 1746 OD2 ASP A 109 2.355 -19.946 1.105 1.00 1.47 O ATOM 0 H ASP A 109 2.095 -16.945 0.728 1.00 0.35 H new ATOM 0 HA ASP A 109 3.979 -17.424 2.974 1.00 0.71 H new ATOM 0 HB2 ASP A 109 3.881 -18.258 0.041 1.00 1.02 H new ATOM 0 HB3 ASP A 109 5.236 -18.623 1.091 1.00 1.02 H new ATOM 1751 N GLN A 110 5.105 -15.898 0.280 1.00 0.63 N ATOM 1752 CA GLN A 110 6.023 -14.798 -0.131 1.00 0.60 C ATOM 1753 C GLN A 110 5.822 -14.479 -1.612 1.00 0.62 C ATOM 1754 O GLN A 110 6.368 -15.132 -2.479 1.00 0.72 O ATOM 1755 CB GLN A 110 7.474 -15.224 0.103 1.00 0.60 C ATOM 1756 CG GLN A 110 8.223 -14.113 0.841 1.00 0.74 C ATOM 1757 CD GLN A 110 9.217 -14.728 1.827 1.00 0.45 C ATOM 1758 OE1 GLN A 110 10.357 -14.969 1.487 1.00 1.58 O ATOM 1759 NE2 GLN A 110 8.828 -14.992 3.044 1.00 0.65 N ATOM 0 H GLN A 110 4.764 -16.489 -0.478 1.00 0.63 H new ATOM 0 HA GLN A 110 5.802 -13.911 0.463 1.00 0.60 H new ATOM 0 HB2 GLN A 110 7.504 -16.145 0.685 1.00 0.60 H new ATOM 0 HB3 GLN A 110 7.960 -15.433 -0.850 1.00 0.60 H new ATOM 0 HG2 GLN A 110 8.749 -13.480 0.127 1.00 0.74 H new ATOM 0 HG3 GLN A 110 7.516 -13.476 1.372 1.00 0.74 H new ATOM 0 HE21 GLN A 110 7.870 -14.789 3.328 1.00 0.65 H new ATOM 0 HE22 GLN A 110 9.482 -15.401 3.711 1.00 0.65 H new ATOM 1768 N SER A 111 5.055 -13.467 -1.909 1.00 0.55 N ATOM 1769 CA SER A 111 4.833 -13.091 -3.336 1.00 0.56 C ATOM 1770 C SER A 111 5.643 -11.833 -3.639 1.00 0.62 C ATOM 1771 O SER A 111 5.619 -10.885 -2.884 1.00 1.12 O ATOM 1772 CB SER A 111 3.349 -12.810 -3.572 1.00 0.62 C ATOM 1773 OG SER A 111 2.742 -13.949 -4.168 1.00 2.22 O ATOM 0 H SER A 111 4.572 -12.883 -1.226 1.00 0.55 H new ATOM 0 HA SER A 111 5.147 -13.907 -3.987 1.00 0.56 H new ATOM 0 HB2 SER A 111 2.858 -12.574 -2.628 1.00 0.62 H new ATOM 0 HB3 SER A 111 3.230 -11.941 -4.219 1.00 0.62 H new ATOM 0 HG SER A 111 1.836 -13.720 -4.464 1.00 2.22 H new ATOM 1779 N THR A 112 6.368 -11.818 -4.730 1.00 0.42 N ATOM 1780 CA THR A 112 7.191 -10.620 -5.073 1.00 0.41 C ATOM 1781 C THR A 112 6.333 -9.357 -4.975 1.00 0.44 C ATOM 1782 O THR A 112 5.173 -9.352 -5.332 1.00 0.48 O ATOM 1783 CB THR A 112 7.736 -10.766 -6.496 1.00 0.41 C ATOM 1784 OG1 THR A 112 6.680 -11.133 -7.374 1.00 0.64 O ATOM 1785 CG2 THR A 112 8.819 -11.848 -6.516 1.00 0.24 C ATOM 0 H THR A 112 6.425 -12.586 -5.399 1.00 0.42 H new ATOM 0 HA THR A 112 8.023 -10.541 -4.373 1.00 0.41 H new ATOM 0 HB THR A 112 8.163 -9.818 -6.822 1.00 0.41 H new ATOM 0 HG1 THR A 112 7.029 -11.225 -8.285 1.00 0.64 H new ATOM 0 HG21 THR A 112 9.209 -11.954 -7.528 1.00 0.24 H new ATOM 0 HG22 THR A 112 9.629 -11.565 -5.843 1.00 0.24 H new ATOM 0 HG23 THR A 112 8.392 -12.797 -6.191 1.00 0.24 H new ATOM 1793 N LEU A 113 6.895 -8.287 -4.478 1.00 0.44 N ATOM 1794 CA LEU A 113 6.112 -7.028 -4.340 1.00 0.48 C ATOM 1795 C LEU A 113 5.694 -6.499 -5.714 1.00 0.47 C ATOM 1796 O LEU A 113 4.853 -5.632 -5.813 1.00 0.44 O ATOM 1797 CB LEU A 113 6.959 -5.969 -3.639 1.00 0.48 C ATOM 1798 CG LEU A 113 6.060 -4.795 -3.247 1.00 0.59 C ATOM 1799 CD1 LEU A 113 6.254 -4.466 -1.767 1.00 0.18 C ATOM 1800 CD2 LEU A 113 6.425 -3.575 -4.092 1.00 1.31 C ATOM 0 H LEU A 113 7.863 -8.232 -4.162 1.00 0.44 H new ATOM 0 HA LEU A 113 5.219 -7.242 -3.753 1.00 0.48 H new ATOM 0 HB2 LEU A 113 7.434 -6.392 -2.754 1.00 0.48 H new ATOM 0 HB3 LEU A 113 7.758 -5.628 -4.298 1.00 0.48 H new ATOM 0 HG LEU A 113 5.018 -5.064 -3.421 1.00 0.59 H new ATOM 0 HD11 LEU A 113 5.611 -3.629 -1.493 1.00 0.18 H new ATOM 0 HD12 LEU A 113 5.994 -5.336 -1.164 1.00 0.18 H new ATOM 0 HD13 LEU A 113 7.295 -4.198 -1.587 1.00 0.18 H new ATOM 0 HD21 LEU A 113 5.786 -2.736 -3.815 1.00 1.31 H new ATOM 0 HD22 LEU A 113 7.468 -3.310 -3.917 1.00 1.31 H new ATOM 0 HD23 LEU A 113 6.282 -3.807 -5.147 1.00 1.31 H new ATOM 1812 N GLU A 114 6.267 -6.995 -6.777 1.00 0.50 N ATOM 1813 CA GLU A 114 5.877 -6.491 -8.121 1.00 0.48 C ATOM 1814 C GLU A 114 4.453 -6.962 -8.441 1.00 0.54 C ATOM 1815 O GLU A 114 3.642 -6.216 -8.956 1.00 0.74 O ATOM 1816 CB GLU A 114 6.857 -7.029 -9.164 1.00 0.40 C ATOM 1817 CG GLU A 114 7.363 -5.874 -10.030 1.00 0.73 C ATOM 1818 CD GLU A 114 8.717 -6.249 -10.634 1.00 0.55 C ATOM 1819 OE1 GLU A 114 8.861 -7.385 -11.057 1.00 0.69 O ATOM 1820 OE2 GLU A 114 9.587 -5.395 -10.664 1.00 1.80 O ATOM 0 H GLU A 114 6.983 -7.722 -6.772 1.00 0.50 H new ATOM 0 HA GLU A 114 5.905 -5.401 -8.135 1.00 0.48 H new ATOM 0 HB2 GLU A 114 7.695 -7.523 -8.671 1.00 0.40 H new ATOM 0 HB3 GLU A 114 6.367 -7.778 -9.787 1.00 0.40 H new ATOM 0 HG2 GLU A 114 6.646 -5.657 -10.822 1.00 0.73 H new ATOM 0 HG3 GLU A 114 7.458 -4.969 -9.430 1.00 0.73 H new ATOM 1827 N ASN A 115 4.140 -8.190 -8.126 1.00 0.43 N ATOM 1828 CA ASN A 115 2.765 -8.705 -8.396 1.00 0.46 C ATOM 1829 C ASN A 115 1.804 -8.220 -7.302 1.00 0.46 C ATOM 1830 O ASN A 115 0.603 -8.228 -7.480 1.00 0.59 O ATOM 1831 CB ASN A 115 2.788 -10.237 -8.422 1.00 0.45 C ATOM 1832 CG ASN A 115 2.143 -10.783 -7.146 1.00 1.92 C ATOM 1833 OD1 ASN A 115 2.696 -10.657 -6.072 1.00 3.01 O ATOM 1834 ND2 ASN A 115 0.987 -11.385 -7.219 1.00 2.57 N ATOM 0 H ASN A 115 4.776 -8.859 -7.693 1.00 0.43 H new ATOM 0 HA ASN A 115 2.424 -8.332 -9.362 1.00 0.46 H new ATOM 0 HB2 ASN A 115 2.252 -10.604 -9.298 1.00 0.45 H new ATOM 0 HB3 ASN A 115 3.815 -10.594 -8.504 1.00 0.45 H new ATOM 0 HD21 ASN A 115 0.548 -11.750 -6.374 1.00 2.57 H new ATOM 0 HD22 ASN A 115 0.523 -11.491 -8.121 1.00 2.57 H new ATOM 1841 N PHE A 116 2.314 -7.789 -6.175 1.00 0.33 N ATOM 1842 CA PHE A 116 1.410 -7.299 -5.096 1.00 0.34 C ATOM 1843 C PHE A 116 0.948 -5.883 -5.443 1.00 0.34 C ATOM 1844 O PHE A 116 -0.185 -5.508 -5.209 1.00 0.17 O ATOM 1845 CB PHE A 116 2.165 -7.281 -3.766 1.00 0.33 C ATOM 1846 CG PHE A 116 1.494 -6.320 -2.813 1.00 0.31 C ATOM 1847 CD1 PHE A 116 0.140 -6.480 -2.493 1.00 0.80 C ATOM 1848 CD2 PHE A 116 2.227 -5.272 -2.246 1.00 0.21 C ATOM 1849 CE1 PHE A 116 -0.479 -5.590 -1.607 1.00 0.96 C ATOM 1850 CE2 PHE A 116 1.607 -4.382 -1.361 1.00 0.30 C ATOM 1851 CZ PHE A 116 0.255 -4.541 -1.040 1.00 0.65 C ATOM 0 H PHE A 116 3.310 -7.756 -5.959 1.00 0.33 H new ATOM 0 HA PHE A 116 0.546 -7.958 -5.008 1.00 0.34 H new ATOM 0 HB2 PHE A 116 2.185 -8.282 -3.335 1.00 0.33 H new ATOM 0 HB3 PHE A 116 3.201 -6.983 -3.929 1.00 0.33 H new ATOM 0 HD1 PHE A 116 -0.426 -7.289 -2.929 1.00 0.80 H new ATOM 0 HD2 PHE A 116 3.272 -5.150 -2.491 1.00 0.21 H new ATOM 0 HE1 PHE A 116 -1.523 -5.713 -1.361 1.00 0.96 H new ATOM 0 HE2 PHE A 116 2.173 -3.572 -0.926 1.00 0.30 H new ATOM 0 HZ PHE A 116 -0.222 -3.855 -0.356 1.00 0.65 H new ATOM 1861 N LEU A 117 1.816 -5.098 -6.020 1.00 0.66 N ATOM 1862 CA LEU A 117 1.435 -3.713 -6.403 1.00 0.72 C ATOM 1863 C LEU A 117 0.531 -3.785 -7.629 1.00 0.73 C ATOM 1864 O LEU A 117 -0.390 -3.008 -7.781 1.00 0.75 O ATOM 1865 CB LEU A 117 2.692 -2.907 -6.737 1.00 0.85 C ATOM 1866 CG LEU A 117 2.834 -1.744 -5.754 1.00 0.79 C ATOM 1867 CD1 LEU A 117 1.612 -0.830 -5.856 1.00 1.96 C ATOM 1868 CD2 LEU A 117 2.946 -2.290 -4.325 1.00 1.19 C ATOM 0 H LEU A 117 2.776 -5.359 -6.243 1.00 0.66 H new ATOM 0 HA LEU A 117 0.913 -3.226 -5.579 1.00 0.72 H new ATOM 0 HB2 LEU A 117 3.572 -3.549 -6.686 1.00 0.85 H new ATOM 0 HB3 LEU A 117 2.633 -2.528 -7.757 1.00 0.85 H new ATOM 0 HG LEU A 117 3.731 -1.175 -5.998 1.00 0.79 H new ATOM 0 HD11 LEU A 117 1.717 -0.003 -5.154 1.00 1.96 H new ATOM 0 HD12 LEU A 117 1.534 -0.438 -6.870 1.00 1.96 H new ATOM 0 HD13 LEU A 117 0.712 -1.397 -5.617 1.00 1.96 H new ATOM 0 HD21 LEU A 117 3.047 -1.460 -3.625 1.00 1.19 H new ATOM 0 HD22 LEU A 117 2.050 -2.862 -4.083 1.00 1.19 H new ATOM 0 HD23 LEU A 117 3.820 -2.936 -4.250 1.00 1.19 H new ATOM 1880 N GLU A 118 0.779 -4.725 -8.498 1.00 0.74 N ATOM 1881 CA GLU A 118 -0.079 -4.861 -9.705 1.00 0.78 C ATOM 1882 C GLU A 118 -1.501 -5.185 -9.247 1.00 0.72 C ATOM 1883 O GLU A 118 -2.455 -4.550 -9.647 1.00 0.78 O ATOM 1884 CB GLU A 118 0.465 -5.991 -10.588 1.00 0.80 C ATOM 1885 CG GLU A 118 -0.688 -6.714 -11.288 1.00 1.15 C ATOM 1886 CD GLU A 118 -0.159 -7.434 -12.530 1.00 1.76 C ATOM 1887 OE1 GLU A 118 0.809 -6.958 -13.099 1.00 1.42 O ATOM 1888 OE2 GLU A 118 -0.733 -8.448 -12.893 1.00 2.93 O ATOM 0 H GLU A 118 1.537 -5.403 -8.424 1.00 0.74 H new ATOM 0 HA GLU A 118 -0.081 -3.937 -10.283 1.00 0.78 H new ATOM 0 HB2 GLU A 118 1.153 -5.584 -11.329 1.00 0.80 H new ATOM 0 HB3 GLU A 118 1.032 -6.697 -9.981 1.00 0.80 H new ATOM 0 HG2 GLU A 118 -1.149 -7.430 -10.608 1.00 1.15 H new ATOM 0 HG3 GLU A 118 -1.461 -6.000 -11.570 1.00 1.15 H new ATOM 1895 N ARG A 119 -1.638 -6.161 -8.393 1.00 0.60 N ATOM 1896 CA ARG A 119 -2.985 -6.539 -7.877 1.00 0.55 C ATOM 1897 C ARG A 119 -3.533 -5.427 -6.977 1.00 0.52 C ATOM 1898 O ARG A 119 -4.710 -5.387 -6.688 1.00 0.55 O ATOM 1899 CB ARG A 119 -2.867 -7.826 -7.057 1.00 0.48 C ATOM 1900 CG ARG A 119 -2.599 -9.009 -7.989 1.00 0.63 C ATOM 1901 CD ARG A 119 -3.886 -9.816 -8.164 1.00 0.88 C ATOM 1902 NE ARG A 119 -3.546 -11.242 -8.437 1.00 1.56 N ATOM 1903 CZ ARG A 119 -4.455 -12.184 -8.335 1.00 2.09 C ATOM 1904 NH1 ARG A 119 -5.691 -11.904 -7.994 1.00 2.23 N ATOM 1905 NH2 ARG A 119 -4.126 -13.423 -8.581 1.00 2.84 N ATOM 0 H ARG A 119 -0.867 -6.719 -8.027 1.00 0.60 H new ATOM 0 HA ARG A 119 -3.660 -6.689 -8.720 1.00 0.55 H new ATOM 0 HB2 ARG A 119 -2.060 -7.733 -6.331 1.00 0.48 H new ATOM 0 HB3 ARG A 119 -3.785 -7.995 -6.494 1.00 0.48 H new ATOM 0 HG2 ARG A 119 -2.246 -8.652 -8.956 1.00 0.63 H new ATOM 0 HG3 ARG A 119 -1.813 -9.641 -7.576 1.00 0.63 H new ATOM 0 HD2 ARG A 119 -4.499 -9.743 -7.265 1.00 0.88 H new ATOM 0 HD3 ARG A 119 -4.475 -9.408 -8.985 1.00 0.88 H new ATOM 0 HE ARG A 119 -2.594 -11.489 -8.707 1.00 1.56 H new ATOM 0 HH11 ARG A 119 -5.961 -10.939 -7.802 1.00 2.23 H new ATOM 0 HH12 ARG A 119 -6.382 -12.651 -7.921 1.00 2.23 H new ATOM 0 HH21 ARG A 119 -3.169 -13.653 -8.850 1.00 2.84 H new ATOM 0 HH22 ARG A 119 -4.826 -14.161 -8.504 1.00 2.84 H new ATOM 1919 N LEU A 120 -2.701 -4.529 -6.517 1.00 0.52 N ATOM 1920 CA LEU A 120 -3.210 -3.441 -5.635 1.00 0.50 C ATOM 1921 C LEU A 120 -3.961 -2.407 -6.483 1.00 0.55 C ATOM 1922 O LEU A 120 -5.045 -1.984 -6.140 1.00 0.56 O ATOM 1923 CB LEU A 120 -2.033 -2.769 -4.924 1.00 0.52 C ATOM 1924 CG LEU A 120 -2.301 -2.728 -3.419 1.00 0.40 C ATOM 1925 CD1 LEU A 120 -1.031 -2.303 -2.681 1.00 0.44 C ATOM 1926 CD2 LEU A 120 -3.417 -1.722 -3.129 1.00 0.64 C ATOM 0 H LEU A 120 -1.700 -4.503 -6.712 1.00 0.52 H new ATOM 0 HA LEU A 120 -3.888 -3.860 -4.892 1.00 0.50 H new ATOM 0 HB2 LEU A 120 -1.112 -3.317 -5.125 1.00 0.52 H new ATOM 0 HB3 LEU A 120 -1.893 -1.758 -5.307 1.00 0.52 H new ATOM 0 HG LEU A 120 -2.602 -3.719 -3.079 1.00 0.40 H new ATOM 0 HD11 LEU A 120 -1.225 -2.275 -1.609 1.00 0.44 H new ATOM 0 HD12 LEU A 120 -0.234 -3.018 -2.887 1.00 0.44 H new ATOM 0 HD13 LEU A 120 -0.727 -1.313 -3.021 1.00 0.44 H new ATOM 0 HD21 LEU A 120 -3.610 -1.691 -2.057 1.00 0.64 H new ATOM 0 HD22 LEU A 120 -3.113 -0.733 -3.472 1.00 0.64 H new ATOM 0 HD23 LEU A 120 -4.324 -2.024 -3.652 1.00 0.64 H new ATOM 1938 N LYS A 121 -3.391 -2.003 -7.587 1.00 0.61 N ATOM 1939 CA LYS A 121 -4.065 -1.000 -8.466 1.00 0.69 C ATOM 1940 C LYS A 121 -5.316 -1.615 -9.077 1.00 0.72 C ATOM 1941 O LYS A 121 -6.301 -0.947 -9.308 1.00 0.76 O ATOM 1942 CB LYS A 121 -3.116 -0.601 -9.596 1.00 0.73 C ATOM 1943 CG LYS A 121 -3.409 0.835 -10.032 1.00 0.64 C ATOM 1944 CD LYS A 121 -3.264 0.944 -11.552 1.00 0.99 C ATOM 1945 CE LYS A 121 -4.546 0.449 -12.227 1.00 1.81 C ATOM 1946 NZ LYS A 121 -4.211 -0.614 -13.217 1.00 2.43 N ATOM 0 H LYS A 121 -2.483 -2.326 -7.920 1.00 0.61 H new ATOM 0 HA LYS A 121 -4.333 -0.126 -7.873 1.00 0.69 H new ATOM 0 HB2 LYS A 121 -2.082 -0.686 -9.262 1.00 0.73 H new ATOM 0 HB3 LYS A 121 -3.235 -1.279 -10.441 1.00 0.73 H new ATOM 0 HG2 LYS A 121 -4.417 1.120 -9.730 1.00 0.64 H new ATOM 0 HG3 LYS A 121 -2.722 1.524 -9.540 1.00 0.64 H new ATOM 0 HD2 LYS A 121 -3.068 1.978 -11.835 1.00 0.99 H new ATOM 0 HD3 LYS A 121 -2.412 0.354 -11.889 1.00 0.99 H new ATOM 0 HE2 LYS A 121 -5.236 0.059 -11.479 1.00 1.81 H new ATOM 0 HE3 LYS A 121 -5.050 1.277 -12.724 1.00 1.81 H new ATOM 0 HZ1 LYS A 121 -5.083 -0.949 -13.675 1.00 2.43 H new ATOM 0 HZ2 LYS A 121 -3.568 -0.227 -13.937 1.00 2.43 H new ATOM 0 HZ3 LYS A 121 -3.748 -1.408 -12.730 1.00 2.43 H new ATOM 1960 N THR A 122 -5.276 -2.882 -9.353 1.00 0.75 N ATOM 1961 CA THR A 122 -6.462 -3.547 -9.968 1.00 0.80 C ATOM 1962 C THR A 122 -7.600 -3.613 -8.948 1.00 0.78 C ATOM 1963 O THR A 122 -8.730 -3.272 -9.237 1.00 0.82 O ATOM 1964 CB THR A 122 -6.092 -4.967 -10.426 1.00 0.80 C ATOM 1965 OG1 THR A 122 -4.769 -5.287 -10.029 1.00 0.74 O ATOM 1966 CG2 THR A 122 -6.191 -5.044 -11.948 1.00 0.88 C ATOM 0 H THR A 122 -4.476 -3.491 -9.182 1.00 0.75 H new ATOM 0 HA THR A 122 -6.785 -2.969 -10.834 1.00 0.80 H new ATOM 0 HB THR A 122 -6.780 -5.677 -9.967 1.00 0.80 H new ATOM 0 HG1 THR A 122 -4.141 -4.667 -10.455 1.00 0.74 H new ATOM 0 HG21 THR A 122 -5.930 -6.049 -12.279 1.00 0.88 H new ATOM 0 HG22 THR A 122 -7.210 -4.813 -12.258 1.00 0.88 H new ATOM 0 HG23 THR A 122 -5.504 -4.325 -12.394 1.00 0.88 H new ATOM 1974 N ILE A 123 -7.308 -4.050 -7.761 1.00 0.71 N ATOM 1975 CA ILE A 123 -8.362 -4.147 -6.712 1.00 0.69 C ATOM 1976 C ILE A 123 -8.999 -2.774 -6.488 1.00 0.69 C ATOM 1977 O ILE A 123 -10.202 -2.652 -6.359 1.00 0.74 O ATOM 1978 CB ILE A 123 -7.733 -4.642 -5.410 1.00 0.53 C ATOM 1979 CG1 ILE A 123 -7.363 -6.120 -5.560 1.00 0.61 C ATOM 1980 CG2 ILE A 123 -8.732 -4.477 -4.263 1.00 0.51 C ATOM 1981 CD1 ILE A 123 -8.554 -6.987 -5.149 1.00 1.22 C ATOM 0 H ILE A 123 -6.378 -4.348 -7.466 1.00 0.71 H new ATOM 0 HA ILE A 123 -9.132 -4.847 -7.035 1.00 0.69 H new ATOM 0 HB ILE A 123 -6.837 -4.061 -5.192 1.00 0.53 H new ATOM 0 HG12 ILE A 123 -7.083 -6.333 -6.592 1.00 0.61 H new ATOM 0 HG13 ILE A 123 -6.498 -6.354 -4.940 1.00 0.61 H new ATOM 0 HG21 ILE A 123 -8.282 -4.830 -3.335 1.00 0.51 H new ATOM 0 HG22 ILE A 123 -8.997 -3.425 -4.160 1.00 0.51 H new ATOM 0 HG23 ILE A 123 -9.629 -5.058 -4.476 1.00 0.51 H new ATOM 0 HD11 ILE A 123 -8.292 -8.040 -5.255 1.00 1.22 H new ATOM 0 HD12 ILE A 123 -8.813 -6.781 -4.110 1.00 1.22 H new ATOM 0 HD13 ILE A 123 -9.407 -6.759 -5.788 1.00 1.22 H new ATOM 1993 N MET A 124 -8.205 -1.738 -6.442 1.00 0.65 N ATOM 1994 CA MET A 124 -8.776 -0.377 -6.234 1.00 0.69 C ATOM 1995 C MET A 124 -9.746 -0.070 -7.375 1.00 1.01 C ATOM 1996 O MET A 124 -10.889 0.245 -7.164 1.00 1.24 O ATOM 1997 CB MET A 124 -7.657 0.670 -6.213 1.00 0.72 C ATOM 1998 CG MET A 124 -6.698 0.376 -5.057 1.00 0.66 C ATOM 1999 SD MET A 124 -7.467 0.854 -3.491 1.00 0.81 S ATOM 2000 CE MET A 124 -6.353 2.225 -3.091 1.00 0.58 C ATOM 0 H MET A 124 -7.190 -1.775 -6.539 1.00 0.65 H new ATOM 0 HA MET A 124 -9.300 -0.345 -5.279 1.00 0.69 H new ATOM 0 HB2 MET A 124 -7.116 0.657 -7.159 1.00 0.72 H new ATOM 0 HB3 MET A 124 -8.081 1.668 -6.102 1.00 0.72 H new ATOM 0 HG2 MET A 124 -6.446 -0.684 -5.041 1.00 0.66 H new ATOM 0 HG3 MET A 124 -5.765 0.923 -5.197 1.00 0.66 H new ATOM 0 HE1 MET A 124 -6.487 2.510 -2.048 1.00 0.58 H new ATOM 0 HE2 MET A 124 -5.321 1.914 -3.252 1.00 0.58 H new ATOM 0 HE3 MET A 124 -6.580 3.077 -3.732 1.00 0.58 H new ATOM 2010 N ARG A 125 -9.299 -0.165 -8.589 1.00 1.06 N ATOM 2011 CA ARG A 125 -10.199 0.129 -9.743 1.00 1.40 C ATOM 2012 C ARG A 125 -11.333 -0.907 -9.849 1.00 1.53 C ATOM 2013 O ARG A 125 -12.251 -0.741 -10.627 1.00 1.82 O ATOM 2014 CB ARG A 125 -9.376 0.108 -11.033 1.00 1.54 C ATOM 2015 CG ARG A 125 -9.674 1.366 -11.850 1.00 1.32 C ATOM 2016 CD ARG A 125 -9.836 0.982 -13.321 1.00 2.26 C ATOM 2017 NE ARG A 125 -9.033 1.908 -14.173 1.00 1.54 N ATOM 2018 CZ ARG A 125 -8.771 1.617 -15.427 1.00 2.27 C ATOM 2019 NH1 ARG A 125 -9.201 0.505 -15.973 1.00 3.58 N ATOM 2020 NH2 ARG A 125 -8.066 2.448 -16.145 1.00 1.84 N ATOM 0 H ARG A 125 -8.347 -0.434 -8.839 1.00 1.06 H new ATOM 0 HA ARG A 125 -10.648 1.110 -9.589 1.00 1.40 H new ATOM 0 HB2 ARG A 125 -8.313 0.058 -10.798 1.00 1.54 H new ATOM 0 HB3 ARG A 125 -9.616 -0.782 -11.615 1.00 1.54 H new ATOM 0 HG2 ARG A 125 -10.582 1.845 -11.484 1.00 1.32 H new ATOM 0 HG3 ARG A 125 -8.865 2.088 -11.737 1.00 1.32 H new ATOM 0 HD2 ARG A 125 -9.510 -0.046 -13.477 1.00 2.26 H new ATOM 0 HD3 ARG A 125 -10.887 1.029 -13.606 1.00 2.26 H new ATOM 0 HE ARG A 125 -8.683 2.780 -13.776 1.00 1.54 H new ATOM 0 HH11 ARG A 125 -9.751 -0.154 -15.422 1.00 3.58 H new ATOM 0 HH12 ARG A 125 -8.986 0.299 -16.949 1.00 3.58 H new ATOM 0 HH21 ARG A 125 -7.723 3.315 -15.732 1.00 1.84 H new ATOM 0 HH22 ARG A 125 -7.858 2.230 -17.119 1.00 1.84 H new ATOM 2034 N GLU A 126 -11.284 -1.978 -9.099 1.00 1.53 N ATOM 2035 CA GLU A 126 -12.368 -3.001 -9.203 1.00 1.78 C ATOM 2036 C GLU A 126 -13.588 -2.593 -8.366 1.00 1.42 C ATOM 2037 O GLU A 126 -14.684 -2.478 -8.876 1.00 1.24 O ATOM 2038 CB GLU A 126 -11.846 -4.351 -8.708 1.00 2.18 C ATOM 2039 CG GLU A 126 -11.540 -5.248 -9.909 1.00 2.28 C ATOM 2040 CD GLU A 126 -11.290 -6.679 -9.430 1.00 3.15 C ATOM 2041 OE1 GLU A 126 -12.247 -7.331 -9.047 1.00 3.87 O ATOM 2042 OE2 GLU A 126 -10.144 -7.099 -9.455 1.00 3.43 O ATOM 0 H GLU A 126 -10.548 -2.188 -8.425 1.00 1.53 H new ATOM 0 HA GLU A 126 -12.670 -3.077 -10.247 1.00 1.78 H new ATOM 0 HB2 GLU A 126 -10.947 -4.208 -8.108 1.00 2.18 H new ATOM 0 HB3 GLU A 126 -12.586 -4.826 -8.064 1.00 2.18 H new ATOM 0 HG2 GLU A 126 -12.373 -5.229 -10.611 1.00 2.28 H new ATOM 0 HG3 GLU A 126 -10.666 -4.874 -10.442 1.00 2.28 H new ATOM 2049 N LYS A 127 -13.418 -2.400 -7.086 1.00 1.38 N ATOM 2050 CA LYS A 127 -14.586 -2.030 -6.227 1.00 1.23 C ATOM 2051 C LYS A 127 -14.756 -0.505 -6.132 1.00 0.84 C ATOM 2052 O LYS A 127 -15.707 -0.025 -5.549 1.00 0.82 O ATOM 2053 CB LYS A 127 -14.380 -2.599 -4.821 1.00 1.59 C ATOM 2054 CG LYS A 127 -14.980 -4.004 -4.747 1.00 1.47 C ATOM 2055 CD LYS A 127 -13.960 -5.018 -5.264 1.00 0.65 C ATOM 2056 CE LYS A 127 -14.679 -6.308 -5.659 1.00 1.35 C ATOM 2057 NZ LYS A 127 -14.997 -7.091 -4.432 1.00 1.24 N ATOM 0 H LYS A 127 -12.526 -2.481 -6.597 1.00 1.38 H new ATOM 0 HA LYS A 127 -15.485 -2.447 -6.681 1.00 1.23 H new ATOM 0 HB2 LYS A 127 -13.317 -2.633 -4.583 1.00 1.59 H new ATOM 0 HB3 LYS A 127 -14.852 -1.951 -4.082 1.00 1.59 H new ATOM 0 HG2 LYS A 127 -15.256 -4.240 -3.719 1.00 1.47 H new ATOM 0 HG3 LYS A 127 -15.892 -4.054 -5.341 1.00 1.47 H new ATOM 0 HD2 LYS A 127 -13.427 -4.609 -6.122 1.00 0.65 H new ATOM 0 HD3 LYS A 127 -13.215 -5.225 -4.495 1.00 0.65 H new ATOM 0 HE2 LYS A 127 -15.594 -6.075 -6.203 1.00 1.35 H new ATOM 0 HE3 LYS A 127 -14.052 -6.897 -6.328 1.00 1.35 H new ATOM 0 HZ1 LYS A 127 -15.486 -7.969 -4.698 1.00 1.24 H new ATOM 0 HZ2 LYS A 127 -14.116 -7.324 -3.931 1.00 1.24 H new ATOM 0 HZ3 LYS A 127 -15.611 -6.527 -3.810 1.00 1.24 H new ATOM 2071 N TYR A 128 -13.852 0.265 -6.676 1.00 0.84 N ATOM 2072 CA TYR A 128 -13.996 1.746 -6.579 1.00 0.86 C ATOM 2073 C TYR A 128 -14.779 2.279 -7.793 1.00 1.13 C ATOM 2074 O TYR A 128 -14.874 3.473 -7.995 1.00 1.41 O ATOM 2075 CB TYR A 128 -12.613 2.412 -6.550 1.00 1.13 C ATOM 2076 CG TYR A 128 -11.874 2.124 -5.246 1.00 0.52 C ATOM 2077 CD1 TYR A 128 -11.790 0.821 -4.715 1.00 1.75 C ATOM 2078 CD2 TYR A 128 -11.248 3.180 -4.576 1.00 1.41 C ATOM 2079 CE1 TYR A 128 -11.085 0.591 -3.529 1.00 2.00 C ATOM 2080 CE2 TYR A 128 -10.548 2.944 -3.389 1.00 2.05 C ATOM 2081 CZ TYR A 128 -10.465 1.651 -2.865 1.00 1.86 C ATOM 2082 OH TYR A 128 -9.769 1.423 -1.696 1.00 2.73 O ATOM 0 H TYR A 128 -13.028 -0.063 -7.179 1.00 0.84 H new ATOM 0 HA TYR A 128 -14.534 1.981 -5.661 1.00 0.86 H new ATOM 0 HB2 TYR A 128 -12.019 2.054 -7.391 1.00 1.13 H new ATOM 0 HB3 TYR A 128 -12.725 3.489 -6.674 1.00 1.13 H new ATOM 0 HD1 TYR A 128 -12.271 -0.001 -5.225 1.00 1.75 H new ATOM 0 HD2 TYR A 128 -11.306 4.181 -4.977 1.00 1.41 H new ATOM 0 HE1 TYR A 128 -11.020 -0.409 -3.126 1.00 2.00 H new ATOM 0 HE2 TYR A 128 -10.069 3.764 -2.875 1.00 2.05 H new ATOM 0 HH TYR A 128 -8.809 1.382 -1.889 1.00 2.73 H new ATOM 2092 N SER A 129 -15.332 1.414 -8.610 1.00 1.24 N ATOM 2093 CA SER A 129 -16.089 1.897 -9.804 1.00 1.50 C ATOM 2094 C SER A 129 -17.471 2.407 -9.381 1.00 1.14 C ATOM 2095 O SER A 129 -18.082 3.203 -10.067 1.00 1.08 O ATOM 2096 CB SER A 129 -16.257 0.747 -10.798 1.00 2.01 C ATOM 2097 OG SER A 129 -17.555 0.186 -10.653 1.00 3.50 O ATOM 0 H SER A 129 -15.291 0.401 -8.501 1.00 1.24 H new ATOM 0 HA SER A 129 -15.535 2.712 -10.271 1.00 1.50 H new ATOM 0 HB2 SER A 129 -16.116 1.108 -11.817 1.00 2.01 H new ATOM 0 HB3 SER A 129 -15.497 -0.015 -10.622 1.00 2.01 H new ATOM 0 HG SER A 129 -17.666 -0.550 -11.290 1.00 3.50 H new ATOM 2103 N LYS A 130 -17.972 1.954 -8.265 1.00 1.05 N ATOM 2104 CA LYS A 130 -19.315 2.409 -7.809 1.00 1.07 C ATOM 2105 C LYS A 130 -19.290 3.907 -7.463 1.00 1.96 C ATOM 2106 O LYS A 130 -20.324 4.528 -7.318 1.00 2.96 O ATOM 2107 CB LYS A 130 -19.721 1.608 -6.570 1.00 1.80 C ATOM 2108 CG LYS A 130 -21.211 1.268 -6.648 1.00 2.64 C ATOM 2109 CD LYS A 130 -21.860 1.482 -5.278 1.00 4.32 C ATOM 2110 CE LYS A 130 -22.148 0.126 -4.631 1.00 4.89 C ATOM 2111 NZ LYS A 130 -20.866 -0.507 -4.205 1.00 5.14 N ATOM 0 H LYS A 130 -17.508 1.287 -7.648 1.00 1.05 H new ATOM 0 HA LYS A 130 -20.034 2.249 -8.612 1.00 1.07 H new ATOM 0 HB2 LYS A 130 -19.131 0.694 -6.506 1.00 1.80 H new ATOM 0 HB3 LYS A 130 -19.515 2.184 -5.668 1.00 1.80 H new ATOM 0 HG2 LYS A 130 -21.699 1.895 -7.394 1.00 2.64 H new ATOM 0 HG3 LYS A 130 -21.342 0.234 -6.966 1.00 2.64 H new ATOM 0 HD2 LYS A 130 -21.200 2.069 -4.639 1.00 4.32 H new ATOM 0 HD3 LYS A 130 -22.785 2.049 -5.387 1.00 4.32 H new ATOM 0 HE2 LYS A 130 -22.805 0.254 -3.771 1.00 4.89 H new ATOM 0 HE3 LYS A 130 -22.668 -0.522 -5.336 1.00 4.89 H new ATOM 0 HZ1 LYS A 130 -21.064 -1.421 -3.750 1.00 5.14 H new ATOM 0 HZ2 LYS A 130 -20.260 -0.658 -5.037 1.00 5.14 H new ATOM 0 HZ3 LYS A 130 -20.378 0.117 -3.531 1.00 5.14 H new ATOM 2125 N CYS A 131 -18.131 4.497 -7.324 1.00 2.06 N ATOM 2126 CA CYS A 131 -18.077 5.949 -6.982 1.00 3.41 C ATOM 2127 C CYS A 131 -17.628 6.754 -8.204 1.00 4.66 C ATOM 2128 O CYS A 131 -18.386 7.525 -8.759 1.00 5.93 O ATOM 2129 CB CYS A 131 -17.087 6.163 -5.834 1.00 2.86 C ATOM 2130 SG CYS A 131 -17.606 5.182 -4.404 1.00 2.26 S ATOM 0 H CYS A 131 -17.226 4.040 -7.432 1.00 2.06 H new ATOM 0 HA CYS A 131 -19.068 6.286 -6.678 1.00 3.41 H new ATOM 0 HB2 CYS A 131 -16.084 5.871 -6.145 1.00 2.86 H new ATOM 0 HB3 CYS A 131 -17.044 7.219 -5.568 1.00 2.86 H new ATOM 2135 N SER A 132 -16.402 6.586 -8.623 1.00 4.68 N ATOM 2136 CA SER A 132 -15.903 7.344 -9.806 1.00 6.26 C ATOM 2137 C SER A 132 -16.857 7.148 -10.987 1.00 6.33 C ATOM 2138 O SER A 132 -17.581 6.174 -11.058 1.00 5.26 O ATOM 2139 CB SER A 132 -14.512 6.833 -10.185 1.00 6.87 C ATOM 2140 OG SER A 132 -14.088 7.469 -11.384 1.00 7.77 O ATOM 0 H SER A 132 -15.724 5.955 -8.196 1.00 4.68 H new ATOM 0 HA SER A 132 -15.850 8.404 -9.559 1.00 6.26 H new ATOM 0 HB2 SER A 132 -13.805 7.039 -9.381 1.00 6.87 H new ATOM 0 HB3 SER A 132 -14.534 5.752 -10.321 1.00 6.87 H new ATOM 0 HG SER A 132 -13.196 7.145 -11.629 1.00 7.77 H new ATOM 2146 N SER A 133 -16.867 8.068 -11.913 1.00 7.63 N ATOM 2147 CA SER A 133 -17.778 7.936 -13.086 1.00 7.81 C ATOM 2148 C SER A 133 -17.149 8.617 -14.303 1.00 9.16 C ATOM 2149 O SER A 133 -16.205 9.367 -14.115 1.00 9.88 O ATOM 2150 CB SER A 133 -19.117 8.603 -12.769 1.00 7.59 C ATOM 2151 OG SER A 133 -20.152 7.940 -13.482 1.00 7.51 O ATOM 2152 OXT SER A 133 -17.621 8.376 -15.402 1.00 9.62 O ATOM 0 H SER A 133 -16.284 8.905 -11.908 1.00 7.63 H new ATOM 0 HA SER A 133 -17.938 6.880 -13.302 1.00 7.81 H new ATOM 0 HB2 SER A 133 -19.313 8.561 -11.698 1.00 7.59 H new ATOM 0 HB3 SER A 133 -19.086 9.657 -13.046 1.00 7.59 H new ATOM 0 HG SER A 133 -21.012 8.364 -13.280 1.00 7.51 H new TER 2158 SER A 133