USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 965 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 THR OG1 : rot 70:sc= -1.57 USER MOD Set 1.2: A 42 GLN : amide:sc=-0.00568 X(o=-1.6,f=-1.7) USER MOD Set 2.1: A 36 LYS NZ :NH3+ -163:sc= -0.0305 (180deg=-0.263) USER MOD Set 2.2: A 56 SER OG : rot 120:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.221 USER MOD Single : A 6 LYS NZ :NH3+ -169:sc= -0.0478 (180deg=-0.244) USER MOD Single : A 13 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-0.47) USER MOD Single : A 17 GLN : amide:sc= -0.0255 X(o=-0.026,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 160:sc= 1.65 (180deg=0.663) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.123 K(o=-0.12,f=-4.6!) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 113:sc= 1.22 USER MOD Single : A 46 THR OG1 : rot 14:sc= 0.719 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0.493 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot -132:sc= 1.06 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot -130:sc= -0.188 USER MOD Single : A 63 ASN : amide:sc= -0.0651 K(o=-0.065,f=-1.4) USER MOD Single : A 66 GLN : amide:sc= -1.11! C(o=-1.1!,f=-2.9!) USER MOD Single : A 67 HIS : no HD1:sc=-0.00333 X(o=-0.0033,f=-0.12) USER MOD Single : A 68 THR OG1 : rot -77:sc= 0.482 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.3) USER MOD Single : A 79 GLN : amide:sc= -0.056 X(o=-0.056,f=0) USER MOD Single : A 85 SER OG : rot 45:sc= 0.00457 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0698 USER MOD Single : A 96 SER OG : rot 163:sc= -0.0703 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -152:sc= 1.25 (180deg=-0.197) USER MOD Single : A 111 GLN : amide:sc= -2.77! K(o=-2.8!,f=-0.42) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot 165:sc= -0.324 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.594 -6.428 18.882 1.00 16.25 N ATOM 2 CA MET A 1 1.440 -5.540 18.635 1.00 15.99 C ATOM 3 C MET A 1 1.485 -5.026 17.211 1.00 15.41 C ATOM 4 O MET A 1 2.395 -4.289 16.837 1.00 15.45 O ATOM 5 CB MET A 1 1.476 -4.377 19.631 1.00 16.51 C ATOM 6 CG MET A 1 0.253 -3.486 19.552 1.00 16.79 C ATOM 7 SD MET A 1 0.335 -2.098 20.702 1.00 17.24 S ATOM 8 CE MET A 1 -1.225 -1.283 20.379 1.00 17.83 C ATOM 0 H1 MET A 1 2.559 -6.779 19.861 1.00 16.25 H new ATOM 0 H2 MET A 1 2.560 -7.233 18.224 1.00 16.25 H new ATOM 0 H3 MET A 1 3.477 -5.899 18.735 1.00 16.25 H new ATOM 0 HA MET A 1 0.511 -6.094 18.772 1.00 15.99 H new ATOM 0 HB2 MET A 1 1.563 -4.775 20.642 1.00 16.51 H new ATOM 0 HB3 MET A 1 2.367 -3.777 19.447 1.00 16.51 H new ATOM 0 HG2 MET A 1 0.149 -3.106 18.536 1.00 16.79 H new ATOM 0 HG3 MET A 1 -0.638 -4.077 19.764 1.00 16.79 H new ATOM 0 HE1 MET A 1 -1.316 -0.405 21.018 1.00 17.83 H new ATOM 0 HE2 MET A 1 -1.266 -0.977 19.334 1.00 17.83 H new ATOM 0 HE3 MET A 1 -2.045 -1.970 20.588 1.00 17.83 H new ATOM 20 N GLY A 2 0.520 -5.429 16.407 1.00 15.02 N ATOM 21 CA GLY A 2 0.508 -5.009 15.029 1.00 14.60 C ATOM 22 C GLY A 2 1.414 -5.899 14.196 1.00 13.81 C ATOM 23 O GLY A 2 1.148 -7.092 14.054 1.00 13.66 O ATOM 0 H GLY A 2 -0.252 -6.037 16.683 1.00 15.02 H new ATOM 0 HA2 GLY A 2 -0.509 -5.048 14.639 1.00 14.60 H new ATOM 0 HA3 GLY A 2 0.838 -3.973 14.955 1.00 14.60 H new ATOM 27 N ASP A 3 2.496 -5.326 13.672 1.00 13.48 N ATOM 28 CA ASP A 3 3.458 -6.083 12.866 1.00 12.89 C ATOM 29 C ASP A 3 4.437 -6.844 13.771 1.00 12.18 C ATOM 30 O ASP A 3 4.166 -7.042 14.960 1.00 12.23 O ATOM 31 CB ASP A 3 4.218 -5.148 11.916 1.00 13.20 C ATOM 32 CG ASP A 3 4.631 -5.830 10.626 1.00 13.55 C ATOM 33 OD1 ASP A 3 5.447 -6.774 10.670 1.00 13.96 O ATOM 34 OD2 ASP A 3 4.135 -5.424 9.557 1.00 13.59 O ATOM 0 H ASP A 3 2.730 -4.340 13.790 1.00 13.48 H new ATOM 0 HA ASP A 3 2.909 -6.809 12.267 1.00 12.89 H new ATOM 0 HB2 ASP A 3 3.591 -4.287 11.682 1.00 13.20 H new ATOM 0 HB3 ASP A 3 5.106 -4.768 12.421 1.00 13.20 H new ATOM 39 N THR A 4 5.556 -7.301 13.216 1.00 11.73 N ATOM 40 CA THR A 4 6.527 -8.065 13.984 1.00 11.23 C ATOM 41 C THR A 4 7.943 -7.953 13.403 1.00 10.51 C ATOM 42 O THR A 4 8.280 -8.620 12.423 1.00 10.53 O ATOM 43 CB THR A 4 6.081 -9.535 14.027 1.00 11.64 C ATOM 44 OG1 THR A 4 4.811 -9.664 14.642 1.00 12.39 O ATOM 45 CG2 THR A 4 7.026 -10.443 14.775 1.00 11.87 C ATOM 0 H THR A 4 5.810 -7.155 12.239 1.00 11.73 H new ATOM 0 HA THR A 4 6.567 -7.654 14.993 1.00 11.23 H new ATOM 0 HB THR A 4 6.058 -9.841 12.981 1.00 11.64 H new ATOM 0 HG1 THR A 4 4.549 -10.608 14.656 1.00 12.39 H new ATOM 0 HG21 THR A 4 6.640 -11.462 14.759 1.00 11.87 H new ATOM 0 HG22 THR A 4 8.006 -10.419 14.299 1.00 11.87 H new ATOM 0 HG23 THR A 4 7.115 -10.105 15.807 1.00 11.87 H new ATOM 53 N GLY A 5 8.767 -7.122 14.032 1.00 10.10 N ATOM 54 CA GLY A 5 10.143 -6.952 13.597 1.00 9.63 C ATOM 55 C GLY A 5 10.329 -5.931 12.496 1.00 9.04 C ATOM 56 O GLY A 5 9.419 -5.663 11.711 1.00 9.05 O ATOM 0 H GLY A 5 8.505 -6.559 14.841 1.00 10.10 H new ATOM 0 HA2 GLY A 5 10.749 -6.658 14.454 1.00 9.63 H new ATOM 0 HA3 GLY A 5 10.524 -7.913 13.252 1.00 9.63 H new ATOM 60 N LYS A 6 11.535 -5.389 12.431 1.00 8.78 N ATOM 61 CA LYS A 6 11.912 -4.420 11.418 1.00 8.49 C ATOM 62 C LYS A 6 12.441 -5.181 10.203 1.00 7.56 C ATOM 63 O LYS A 6 13.649 -5.374 10.047 1.00 7.43 O ATOM 64 CB LYS A 6 12.981 -3.482 11.994 1.00 9.13 C ATOM 65 CG LYS A 6 13.397 -2.344 11.080 1.00 9.99 C ATOM 66 CD LYS A 6 14.415 -1.436 11.766 1.00 10.66 C ATOM 67 CE LYS A 6 14.808 -0.259 10.881 1.00 11.46 C ATOM 68 NZ LYS A 6 15.297 -0.695 9.544 1.00 11.90 N ATOM 0 H LYS A 6 12.285 -5.612 13.086 1.00 8.78 H new ATOM 0 HA LYS A 6 11.057 -3.815 11.115 1.00 8.49 H new ATOM 0 HB2 LYS A 6 12.608 -3.060 12.927 1.00 9.13 H new ATOM 0 HB3 LYS A 6 13.864 -4.071 12.241 1.00 9.13 H new ATOM 0 HG2 LYS A 6 13.825 -2.748 10.162 1.00 9.99 H new ATOM 0 HG3 LYS A 6 12.520 -1.763 10.795 1.00 9.99 H new ATOM 0 HD2 LYS A 6 13.998 -1.064 12.702 1.00 10.66 H new ATOM 0 HD3 LYS A 6 15.304 -2.013 12.020 1.00 10.66 H new ATOM 0 HE2 LYS A 6 13.949 0.400 10.754 1.00 11.46 H new ATOM 0 HE3 LYS A 6 15.585 0.322 11.378 1.00 11.46 H new ATOM 0 HZ1 LYS A 6 15.724 0.114 9.050 1.00 11.90 H new ATOM 0 HZ2 LYS A 6 16.009 -1.444 9.662 1.00 11.90 H new ATOM 0 HZ3 LYS A 6 14.500 -1.060 8.985 1.00 11.90 H new ATOM 82 N LEU A 7 11.521 -5.651 9.372 1.00 7.18 N ATOM 83 CA LEU A 7 11.873 -6.437 8.188 1.00 6.55 C ATOM 84 C LEU A 7 12.024 -5.543 6.946 1.00 5.97 C ATOM 85 O LEU A 7 11.476 -5.841 5.884 1.00 6.20 O ATOM 86 CB LEU A 7 10.806 -7.520 7.948 1.00 7.03 C ATOM 87 CG LEU A 7 11.202 -8.640 6.983 1.00 7.64 C ATOM 88 CD1 LEU A 7 12.437 -9.384 7.496 1.00 7.67 C ATOM 89 CD2 LEU A 7 10.013 -9.573 6.780 1.00 8.38 C ATOM 0 H LEU A 7 10.519 -5.503 9.493 1.00 7.18 H new ATOM 0 HA LEU A 7 12.836 -6.915 8.367 1.00 6.55 H new ATOM 0 HB2 LEU A 7 10.546 -7.967 8.908 1.00 7.03 H new ATOM 0 HB3 LEU A 7 9.905 -7.039 7.567 1.00 7.03 H new ATOM 0 HG LEU A 7 11.471 -8.215 6.016 1.00 7.64 H new ATOM 0 HD11 LEU A 7 12.702 -10.176 6.795 1.00 7.67 H new ATOM 0 HD12 LEU A 7 13.270 -8.687 7.587 1.00 7.67 H new ATOM 0 HD13 LEU A 7 12.220 -9.820 8.471 1.00 7.67 H new ATOM 0 HD21 LEU A 7 10.291 -10.372 6.093 1.00 8.38 H new ATOM 0 HD22 LEU A 7 9.720 -10.003 7.738 1.00 8.38 H new ATOM 0 HD23 LEU A 7 9.177 -9.011 6.364 1.00 8.38 H new ATOM 101 N GLY A 8 12.765 -4.440 7.094 1.00 5.56 N ATOM 102 CA GLY A 8 12.979 -3.505 5.992 1.00 5.28 C ATOM 103 C GLY A 8 11.696 -2.825 5.565 1.00 4.37 C ATOM 104 O GLY A 8 11.582 -2.327 4.444 1.00 4.43 O ATOM 0 H GLY A 8 13.225 -4.176 7.965 1.00 5.56 H new ATOM 0 HA2 GLY A 8 13.706 -2.751 6.293 1.00 5.28 H new ATOM 0 HA3 GLY A 8 13.406 -4.038 5.143 1.00 5.28 H new ATOM 108 N ARG A 9 10.728 -2.798 6.462 1.00 3.85 N ATOM 109 CA ARG A 9 9.452 -2.177 6.178 1.00 3.14 C ATOM 110 C ARG A 9 9.530 -0.689 6.475 1.00 2.98 C ATOM 111 O ARG A 9 8.980 -0.230 7.477 1.00 3.23 O ATOM 112 CB ARG A 9 8.338 -2.800 7.024 1.00 2.97 C ATOM 113 CG ARG A 9 8.410 -4.309 7.147 1.00 3.11 C ATOM 114 CD ARG A 9 7.233 -4.857 7.944 1.00 3.35 C ATOM 115 NE ARG A 9 7.435 -4.760 9.397 1.00 3.78 N ATOM 116 CZ ARG A 9 7.328 -3.629 10.103 1.00 4.27 C ATOM 117 NH1 ARG A 9 6.652 -2.601 9.601 1.00 4.46 N ATOM 118 NH2 ARG A 9 7.582 -3.649 11.405 1.00 4.95 N ATOM 0 H ARG A 9 10.804 -3.201 7.396 1.00 3.85 H new ATOM 0 HA ARG A 9 9.223 -2.337 5.124 1.00 3.14 H new ATOM 0 HB2 ARG A 9 8.371 -2.365 8.023 1.00 2.97 H new ATOM 0 HB3 ARG A 9 7.375 -2.529 6.590 1.00 2.97 H new ATOM 0 HG2 ARG A 9 8.419 -4.757 6.153 1.00 3.11 H new ATOM 0 HG3 ARG A 9 9.344 -4.592 7.633 1.00 3.11 H new ATOM 0 HD2 ARG A 9 6.329 -4.312 7.670 1.00 3.35 H new ATOM 0 HD3 ARG A 9 7.071 -5.900 7.673 1.00 3.35 H new ATOM 0 HE ARG A 9 7.673 -5.614 9.901 1.00 3.78 H new ATOM 0 HH11 ARG A 9 6.218 -2.677 8.681 1.00 4.46 H new ATOM 0 HH12 ARG A 9 6.567 -1.736 10.135 1.00 4.46 H new ATOM 0 HH21 ARG A 9 7.856 -4.521 11.858 1.00 4.95 H new ATOM 0 HH22 ARG A 9 7.504 -2.792 11.953 1.00 4.95 H new ATOM 132 N ILE A 10 10.246 0.043 5.618 1.00 2.78 N ATOM 133 CA ILE A 10 10.443 1.486 5.772 1.00 2.70 C ATOM 134 C ILE A 10 9.148 2.202 6.167 1.00 2.20 C ATOM 135 O ILE A 10 9.142 3.011 7.100 1.00 2.49 O ATOM 136 CB ILE A 10 11.058 2.109 4.484 1.00 2.80 C ATOM 137 CG1 ILE A 10 10.995 3.641 4.515 1.00 2.80 C ATOM 138 CG2 ILE A 10 10.384 1.565 3.233 1.00 2.55 C ATOM 139 CD1 ILE A 10 11.841 4.310 3.452 1.00 3.25 C ATOM 0 H ILE A 10 10.706 -0.349 4.796 1.00 2.78 H new ATOM 0 HA ILE A 10 11.151 1.629 6.588 1.00 2.70 H new ATOM 0 HB ILE A 10 12.109 1.820 4.454 1.00 2.80 H new ATOM 0 HG12 ILE A 10 9.959 3.955 4.392 1.00 2.80 H new ATOM 0 HG13 ILE A 10 11.319 3.989 5.496 1.00 2.80 H new ATOM 0 HG21 ILE A 10 10.835 2.019 2.350 1.00 2.55 H new ATOM 0 HG22 ILE A 10 10.513 0.483 3.191 1.00 2.55 H new ATOM 0 HG23 ILE A 10 9.321 1.803 3.260 1.00 2.55 H new ATOM 0 HD11 ILE A 10 11.744 5.392 3.538 1.00 3.25 H new ATOM 0 HD12 ILE A 10 12.885 4.027 3.586 1.00 3.25 H new ATOM 0 HD13 ILE A 10 11.503 3.993 2.465 1.00 3.25 H new ATOM 151 N ILE A 11 8.049 1.888 5.492 1.00 1.98 N ATOM 152 CA ILE A 11 6.775 2.496 5.829 1.00 1.56 C ATOM 153 C ILE A 11 5.980 1.555 6.720 1.00 1.31 C ATOM 154 O ILE A 11 6.192 1.525 7.931 1.00 1.71 O ATOM 155 CB ILE A 11 5.961 2.883 4.577 1.00 1.37 C ATOM 156 CG1 ILE A 11 6.804 3.796 3.689 1.00 1.94 C ATOM 157 CG2 ILE A 11 4.656 3.577 4.966 1.00 1.05 C ATOM 158 CD1 ILE A 11 6.097 4.268 2.447 1.00 2.05 C ATOM 0 H ILE A 11 8.017 1.224 4.718 1.00 1.98 H new ATOM 0 HA ILE A 11 6.978 3.422 6.367 1.00 1.56 H new ATOM 0 HB ILE A 11 5.705 1.976 4.028 1.00 1.37 H new ATOM 0 HG12 ILE A 11 7.114 4.665 4.270 1.00 1.94 H new ATOM 0 HG13 ILE A 11 7.711 3.266 3.399 1.00 1.94 H new ATOM 0 HG21 ILE A 11 4.101 3.839 4.065 1.00 1.05 H new ATOM 0 HG22 ILE A 11 4.056 2.905 5.579 1.00 1.05 H new ATOM 0 HG23 ILE A 11 4.880 4.482 5.531 1.00 1.05 H new ATOM 0 HD11 ILE A 11 6.763 4.911 1.871 1.00 2.05 H new ATOM 0 HD12 ILE A 11 5.811 3.408 1.842 1.00 2.05 H new ATOM 0 HD13 ILE A 11 5.205 4.828 2.727 1.00 2.05 H new ATOM 170 N ARG A 12 5.082 0.778 6.128 1.00 0.96 N ATOM 171 CA ARG A 12 4.268 -0.163 6.892 1.00 1.02 C ATOM 172 C ARG A 12 3.844 -1.352 6.045 1.00 0.77 C ATOM 173 O ARG A 12 3.913 -1.313 4.815 1.00 0.91 O ATOM 174 CB ARG A 12 2.981 0.494 7.405 1.00 1.53 C ATOM 175 CG ARG A 12 3.041 1.051 8.817 1.00 2.10 C ATOM 176 CD ARG A 12 3.648 2.438 8.858 1.00 2.67 C ATOM 177 NE ARG A 12 3.971 2.834 10.219 1.00 3.29 N ATOM 178 CZ ARG A 12 4.546 3.987 10.541 1.00 3.98 C ATOM 179 NH1 ARG A 12 4.669 4.948 9.637 1.00 4.30 N ATOM 180 NH2 ARG A 12 4.760 4.265 11.813 1.00 4.72 N ATOM 0 H ARG A 12 4.898 0.779 5.125 1.00 0.96 H new ATOM 0 HA ARG A 12 4.893 -0.487 7.724 1.00 1.02 H new ATOM 0 HB2 ARG A 12 2.713 1.304 6.726 1.00 1.53 H new ATOM 0 HB3 ARG A 12 2.177 -0.240 7.358 1.00 1.53 H new ATOM 0 HG2 ARG A 12 2.035 1.084 9.236 1.00 2.10 H new ATOM 0 HG3 ARG A 12 3.627 0.381 9.446 1.00 2.10 H new ATOM 0 HD2 ARG A 12 4.550 2.460 8.247 1.00 2.67 H new ATOM 0 HD3 ARG A 12 2.951 3.155 8.424 1.00 2.67 H new ATOM 0 HE ARG A 12 3.742 2.186 10.973 1.00 3.29 H new ATOM 0 HH11 ARG A 12 4.321 4.804 8.689 1.00 4.30 H new ATOM 0 HH12 ARG A 12 5.111 5.832 9.889 1.00 4.30 H new ATOM 0 HH21 ARG A 12 4.485 3.598 12.534 1.00 4.72 H new ATOM 0 HH22 ARG A 12 5.201 5.147 12.075 1.00 4.72 H new ATOM 194 N HIS A 13 3.352 -2.372 6.728 1.00 0.70 N ATOM 195 CA HIS A 13 2.832 -3.574 6.099 1.00 0.68 C ATOM 196 C HIS A 13 1.446 -3.838 6.673 1.00 0.74 C ATOM 197 O HIS A 13 1.318 -4.214 7.837 1.00 1.04 O ATOM 198 CB HIS A 13 3.765 -4.774 6.352 1.00 0.93 C ATOM 199 CG HIS A 13 3.192 -6.132 6.017 1.00 1.07 C ATOM 200 ND1 HIS A 13 3.851 -7.300 6.306 1.00 1.69 N ATOM 201 CD2 HIS A 13 2.024 -6.508 5.433 1.00 1.46 C ATOM 202 CE1 HIS A 13 3.125 -8.330 5.919 1.00 1.98 C ATOM 203 NE2 HIS A 13 2.003 -7.882 5.390 1.00 1.80 N ATOM 0 H HIS A 13 3.302 -2.389 7.747 1.00 0.70 H new ATOM 0 HA HIS A 13 2.773 -3.436 5.019 1.00 0.68 H new ATOM 0 HB2 HIS A 13 4.676 -4.631 5.771 1.00 0.93 H new ATOM 0 HB3 HIS A 13 4.054 -4.771 7.403 1.00 0.93 H new ATOM 0 HD2 HIS A 13 1.252 -5.847 5.068 1.00 1.46 H new ATOM 0 HE1 HIS A 13 3.403 -9.369 6.019 1.00 1.98 H new ATOM 0 HE2 HIS A 13 1.249 -8.456 5.013 1.00 1.80 H new ATOM 212 N ASP A 14 0.418 -3.648 5.865 1.00 0.60 N ATOM 213 CA ASP A 14 -0.946 -3.882 6.312 1.00 0.69 C ATOM 214 C ASP A 14 -1.610 -4.900 5.370 1.00 0.61 C ATOM 215 O ASP A 14 -0.977 -5.363 4.416 1.00 0.86 O ATOM 216 CB ASP A 14 -1.714 -2.556 6.395 1.00 0.83 C ATOM 217 CG ASP A 14 -2.862 -2.611 7.395 1.00 1.31 C ATOM 218 OD1 ASP A 14 -3.760 -3.457 7.231 1.00 2.03 O ATOM 219 OD2 ASP A 14 -2.856 -1.808 8.350 1.00 1.78 O ATOM 0 H ASP A 14 0.500 -3.333 4.898 1.00 0.60 H new ATOM 0 HA ASP A 14 -0.953 -4.303 7.317 1.00 0.69 H new ATOM 0 HB2 ASP A 14 -1.027 -1.759 6.678 1.00 0.83 H new ATOM 0 HB3 ASP A 14 -2.106 -2.304 5.410 1.00 0.83 H new ATOM 224 N ALA A 15 -2.853 -5.263 5.634 1.00 0.75 N ATOM 225 CA ALA A 15 -3.555 -6.244 4.814 1.00 0.71 C ATOM 226 C ALA A 15 -5.013 -5.864 4.637 1.00 0.68 C ATOM 227 O ALA A 15 -5.581 -5.164 5.465 1.00 0.88 O ATOM 228 CB ALA A 15 -3.450 -7.620 5.451 1.00 0.84 C ATOM 0 H ALA A 15 -3.401 -4.894 6.411 1.00 0.75 H new ATOM 0 HA ALA A 15 -3.087 -6.264 3.830 1.00 0.71 H new ATOM 0 HB1 ALA A 15 -3.976 -8.348 4.834 1.00 0.84 H new ATOM 0 HB2 ALA A 15 -2.401 -7.904 5.532 1.00 0.84 H new ATOM 0 HB3 ALA A 15 -3.897 -7.596 6.445 1.00 0.84 H new ATOM 234 N PHE A 16 -5.619 -6.325 3.555 1.00 0.60 N ATOM 235 CA PHE A 16 -7.014 -6.021 3.291 1.00 0.67 C ATOM 236 C PHE A 16 -7.630 -7.045 2.335 1.00 0.68 C ATOM 237 O PHE A 16 -6.935 -7.882 1.761 1.00 1.00 O ATOM 238 CB PHE A 16 -7.150 -4.624 2.704 1.00 0.77 C ATOM 239 CG PHE A 16 -6.738 -4.580 1.288 1.00 1.09 C ATOM 240 CD1 PHE A 16 -5.420 -4.466 0.953 1.00 1.83 C ATOM 241 CD2 PHE A 16 -7.680 -4.696 0.307 1.00 1.74 C ATOM 242 CE1 PHE A 16 -5.039 -4.458 -0.373 1.00 2.36 C ATOM 243 CE2 PHE A 16 -7.326 -4.689 -1.022 1.00 2.26 C ATOM 244 CZ PHE A 16 -5.997 -4.569 -1.365 1.00 2.35 C ATOM 0 H PHE A 16 -5.169 -6.908 2.849 1.00 0.60 H new ATOM 0 HA PHE A 16 -7.550 -6.066 4.239 1.00 0.67 H new ATOM 0 HB2 PHE A 16 -8.185 -4.293 2.792 1.00 0.77 H new ATOM 0 HB3 PHE A 16 -6.542 -3.927 3.281 1.00 0.77 H new ATOM 0 HD1 PHE A 16 -4.673 -4.382 1.728 1.00 1.83 H new ATOM 0 HD2 PHE A 16 -8.721 -4.795 0.579 1.00 1.74 H new ATOM 0 HE1 PHE A 16 -3.996 -4.365 -0.636 1.00 2.36 H new ATOM 0 HE2 PHE A 16 -8.082 -4.777 -1.789 1.00 2.26 H new ATOM 0 HZ PHE A 16 -5.704 -4.562 -2.405 1.00 2.35 H new ATOM 254 N GLN A 17 -8.938 -6.949 2.155 1.00 0.59 N ATOM 255 CA GLN A 17 -9.668 -7.840 1.260 1.00 0.60 C ATOM 256 C GLN A 17 -10.901 -7.104 0.740 1.00 0.64 C ATOM 257 O GLN A 17 -12.038 -7.463 1.035 1.00 0.95 O ATOM 258 CB GLN A 17 -10.052 -9.126 2.005 1.00 0.74 C ATOM 259 CG GLN A 17 -10.827 -10.128 1.160 1.00 1.07 C ATOM 260 CD GLN A 17 -11.161 -11.402 1.905 1.00 1.26 C ATOM 261 OE1 GLN A 17 -11.759 -11.367 2.979 1.00 1.81 O ATOM 262 NE2 GLN A 17 -10.798 -12.538 1.333 1.00 1.63 N ATOM 0 H GLN A 17 -9.523 -6.256 2.621 1.00 0.59 H new ATOM 0 HA GLN A 17 -9.045 -8.125 0.412 1.00 0.60 H new ATOM 0 HB2 GLN A 17 -9.144 -9.604 2.374 1.00 0.74 H new ATOM 0 HB3 GLN A 17 -10.651 -8.863 2.877 1.00 0.74 H new ATOM 0 HG2 GLN A 17 -11.751 -9.664 0.814 1.00 1.07 H new ATOM 0 HG3 GLN A 17 -10.243 -10.375 0.274 1.00 1.07 H new ATOM 0 HE21 GLN A 17 -10.303 -12.525 0.441 1.00 1.63 H new ATOM 0 HE22 GLN A 17 -11.013 -13.427 1.784 1.00 1.63 H new ATOM 271 N VAL A 18 -10.659 -6.026 0.011 1.00 0.51 N ATOM 272 CA VAL A 18 -11.733 -5.190 -0.492 1.00 0.59 C ATOM 273 C VAL A 18 -11.605 -4.863 -1.974 1.00 0.60 C ATOM 274 O VAL A 18 -10.640 -5.231 -2.650 1.00 1.04 O ATOM 275 CB VAL A 18 -11.799 -3.884 0.311 1.00 0.83 C ATOM 276 CG1 VAL A 18 -12.128 -4.187 1.760 1.00 1.24 C ATOM 277 CG2 VAL A 18 -10.488 -3.134 0.189 1.00 0.84 C ATOM 0 H VAL A 18 -9.724 -5.710 -0.245 1.00 0.51 H new ATOM 0 HA VAL A 18 -12.651 -5.765 -0.371 1.00 0.59 H new ATOM 0 HB VAL A 18 -12.589 -3.249 -0.091 1.00 0.83 H new ATOM 0 HG11 VAL A 18 -12.173 -3.256 2.325 1.00 1.24 H new ATOM 0 HG12 VAL A 18 -13.092 -4.693 1.816 1.00 1.24 H new ATOM 0 HG13 VAL A 18 -11.355 -4.830 2.182 1.00 1.24 H new ATOM 0 HG21 VAL A 18 -10.544 -2.208 0.762 1.00 0.84 H new ATOM 0 HG22 VAL A 18 -9.678 -3.752 0.576 1.00 0.84 H new ATOM 0 HG23 VAL A 18 -10.298 -2.901 -0.859 1.00 0.84 H new ATOM 287 N TRP A 19 -12.658 -4.226 -2.437 1.00 0.63 N ATOM 288 CA TRP A 19 -12.877 -3.819 -3.812 1.00 0.65 C ATOM 289 C TRP A 19 -11.707 -3.059 -4.433 1.00 0.68 C ATOM 290 O TRP A 19 -11.390 -1.934 -4.055 1.00 1.04 O ATOM 291 CB TRP A 19 -14.121 -2.957 -3.820 1.00 0.72 C ATOM 292 CG TRP A 19 -15.158 -3.429 -2.835 1.00 0.75 C ATOM 293 CD1 TRP A 19 -16.163 -4.321 -3.065 1.00 0.83 C ATOM 294 CD2 TRP A 19 -15.249 -3.079 -1.436 1.00 0.78 C ATOM 295 NE1 TRP A 19 -16.921 -4.478 -1.931 1.00 0.90 N ATOM 296 CE2 TRP A 19 -16.376 -3.738 -0.919 1.00 0.87 C ATOM 297 CE3 TRP A 19 -14.504 -2.256 -0.574 1.00 0.79 C ATOM 298 CZ2 TRP A 19 -16.779 -3.598 0.407 1.00 0.95 C ATOM 299 CZ3 TRP A 19 -14.900 -2.127 0.745 1.00 0.89 C ATOM 300 CH2 TRP A 19 -16.034 -2.792 1.219 1.00 0.96 C ATOM 0 H TRP A 19 -13.432 -3.961 -1.828 1.00 0.63 H new ATOM 0 HA TRP A 19 -12.985 -4.715 -4.423 1.00 0.65 H new ATOM 0 HB2 TRP A 19 -13.847 -1.928 -3.588 1.00 0.72 H new ATOM 0 HB3 TRP A 19 -14.551 -2.955 -4.822 1.00 0.72 H new ATOM 0 HD1 TRP A 19 -16.337 -4.830 -4.002 1.00 0.83 H new ATOM 0 HE1 TRP A 19 -17.758 -5.055 -1.856 1.00 0.90 H new ATOM 0 HE3 TRP A 19 -13.633 -1.731 -0.937 1.00 0.79 H new ATOM 0 HZ2 TRP A 19 -17.653 -4.111 0.781 1.00 0.95 H new ATOM 0 HZ3 TRP A 19 -14.326 -1.505 1.416 1.00 0.89 H new ATOM 0 HH2 TRP A 19 -16.328 -2.666 2.251 1.00 0.96 H new ATOM 311 N GLU A 20 -11.078 -3.715 -5.392 1.00 0.69 N ATOM 312 CA GLU A 20 -9.925 -3.167 -6.104 1.00 0.77 C ATOM 313 C GLU A 20 -10.346 -2.299 -7.296 1.00 1.18 C ATOM 314 O GLU A 20 -9.654 -2.209 -8.306 1.00 1.81 O ATOM 315 CB GLU A 20 -9.023 -4.313 -6.567 1.00 1.04 C ATOM 316 CG GLU A 20 -7.667 -3.870 -7.082 1.00 1.26 C ATOM 317 CD GLU A 20 -6.956 -4.970 -7.831 1.00 1.90 C ATOM 318 OE1 GLU A 20 -7.516 -6.084 -7.935 1.00 2.62 O ATOM 319 OE2 GLU A 20 -5.846 -4.729 -8.327 1.00 2.42 O ATOM 0 H GLU A 20 -11.350 -4.647 -5.704 1.00 0.69 H new ATOM 0 HA GLU A 20 -9.377 -2.521 -5.418 1.00 0.77 H new ATOM 0 HB2 GLU A 20 -8.876 -5.002 -5.736 1.00 1.04 H new ATOM 0 HB3 GLU A 20 -9.534 -4.867 -7.354 1.00 1.04 H new ATOM 0 HG2 GLU A 20 -7.793 -3.008 -7.738 1.00 1.26 H new ATOM 0 HG3 GLU A 20 -7.050 -3.545 -6.244 1.00 1.26 H new ATOM 326 N GLY A 21 -11.465 -1.623 -7.155 1.00 1.49 N ATOM 327 CA GLY A 21 -11.930 -0.743 -8.211 1.00 1.95 C ATOM 328 C GLY A 21 -13.223 -1.193 -8.848 1.00 2.05 C ATOM 329 O GLY A 21 -14.298 -0.814 -8.384 1.00 2.48 O ATOM 0 H GLY A 21 -12.065 -1.662 -6.331 1.00 1.49 H new ATOM 0 HA2 GLY A 21 -12.065 0.259 -7.804 1.00 1.95 H new ATOM 0 HA3 GLY A 21 -11.161 -0.674 -8.980 1.00 1.95 H new ATOM 333 N ASP A 22 -13.126 -1.998 -9.907 1.00 2.34 N ATOM 334 CA ASP A 22 -14.311 -2.503 -10.617 1.00 2.75 C ATOM 335 C ASP A 22 -14.967 -3.632 -9.822 1.00 2.43 C ATOM 336 O ASP A 22 -15.229 -4.723 -10.335 1.00 2.85 O ATOM 337 CB ASP A 22 -13.932 -2.988 -12.018 1.00 3.62 C ATOM 338 CG ASP A 22 -15.147 -3.280 -12.876 1.00 4.19 C ATOM 339 OD1 ASP A 22 -15.958 -2.353 -13.114 1.00 4.65 O ATOM 340 OD2 ASP A 22 -15.299 -4.436 -13.320 1.00 4.60 O ATOM 0 H ASP A 22 -12.239 -2.317 -10.296 1.00 2.34 H new ATOM 0 HA ASP A 22 -15.026 -1.687 -10.717 1.00 2.75 H new ATOM 0 HB2 ASP A 22 -13.318 -2.232 -12.508 1.00 3.62 H new ATOM 0 HB3 ASP A 22 -13.324 -3.889 -11.936 1.00 3.62 H new ATOM 345 N GLU A 23 -15.215 -3.343 -8.550 1.00 2.07 N ATOM 346 CA GLU A 23 -15.835 -4.266 -7.598 1.00 2.37 C ATOM 347 C GLU A 23 -15.174 -5.654 -7.502 1.00 1.70 C ATOM 348 O GLU A 23 -15.878 -6.657 -7.371 1.00 1.86 O ATOM 349 CB GLU A 23 -17.320 -4.408 -7.899 1.00 3.34 C ATOM 350 CG GLU A 23 -18.182 -4.366 -6.646 1.00 4.22 C ATOM 351 CD GLU A 23 -18.128 -3.023 -5.933 1.00 5.12 C ATOM 352 OE1 GLU A 23 -17.410 -2.114 -6.402 1.00 5.52 O ATOM 353 OE2 GLU A 23 -18.811 -2.865 -4.904 1.00 5.78 O ATOM 0 H GLU A 23 -14.986 -2.438 -8.139 1.00 2.07 H new ATOM 0 HA GLU A 23 -15.682 -3.813 -6.619 1.00 2.37 H new ATOM 0 HB2 GLU A 23 -17.628 -3.609 -8.573 1.00 3.34 H new ATOM 0 HB3 GLU A 23 -17.492 -5.349 -8.421 1.00 3.34 H new ATOM 0 HG2 GLU A 23 -19.215 -4.587 -6.915 1.00 4.22 H new ATOM 0 HG3 GLU A 23 -17.856 -5.148 -5.961 1.00 4.22 H new ATOM 360 N PRO A 24 -13.830 -5.757 -7.544 1.00 1.42 N ATOM 361 CA PRO A 24 -13.119 -7.009 -7.435 1.00 1.17 C ATOM 362 C PRO A 24 -12.468 -7.138 -6.051 1.00 0.97 C ATOM 363 O PRO A 24 -11.310 -6.752 -5.858 1.00 1.08 O ATOM 364 CB PRO A 24 -12.056 -6.834 -8.523 1.00 1.65 C ATOM 365 CG PRO A 24 -11.826 -5.346 -8.605 1.00 2.09 C ATOM 366 CD PRO A 24 -12.855 -4.690 -7.711 1.00 2.00 C ATOM 0 HA PRO A 24 -13.739 -7.898 -7.550 1.00 1.17 H new ATOM 0 HB2 PRO A 24 -11.138 -7.362 -8.267 1.00 1.65 H new ATOM 0 HB3 PRO A 24 -12.398 -7.234 -9.477 1.00 1.65 H new ATOM 0 HG2 PRO A 24 -10.816 -5.093 -8.281 1.00 2.09 H new ATOM 0 HG3 PRO A 24 -11.928 -4.996 -9.632 1.00 2.09 H new ATOM 0 HD2 PRO A 24 -12.428 -4.374 -6.759 1.00 2.00 H new ATOM 0 HD3 PRO A 24 -13.293 -3.805 -8.173 1.00 2.00 H new ATOM 374 N PRO A 25 -13.204 -7.639 -5.048 1.00 0.88 N ATOM 375 CA PRO A 25 -12.691 -7.772 -3.699 1.00 0.77 C ATOM 376 C PRO A 25 -11.871 -9.040 -3.540 1.00 0.74 C ATOM 377 O PRO A 25 -12.364 -10.155 -3.732 1.00 0.92 O ATOM 378 CB PRO A 25 -13.954 -7.793 -2.822 1.00 0.92 C ATOM 379 CG PRO A 25 -15.116 -7.717 -3.761 1.00 1.08 C ATOM 380 CD PRO A 25 -14.591 -8.093 -5.121 1.00 1.09 C ATOM 0 HA PRO A 25 -12.013 -6.964 -3.426 1.00 0.77 H new ATOM 0 HB2 PRO A 25 -13.997 -8.703 -2.223 1.00 0.92 H new ATOM 0 HB3 PRO A 25 -13.959 -6.953 -2.127 1.00 0.92 H new ATOM 0 HG2 PRO A 25 -15.911 -8.395 -3.451 1.00 1.08 H new ATOM 0 HG3 PRO A 25 -15.540 -6.713 -3.773 1.00 1.08 H new ATOM 0 HD2 PRO A 25 -14.660 -9.166 -5.303 1.00 1.09 H new ATOM 0 HD3 PRO A 25 -15.141 -7.598 -5.922 1.00 1.09 H new ATOM 388 N LYS A 26 -10.608 -8.852 -3.206 1.00 0.65 N ATOM 389 CA LYS A 26 -9.686 -9.963 -3.027 1.00 0.73 C ATOM 390 C LYS A 26 -8.732 -9.692 -1.877 1.00 0.66 C ATOM 391 O LYS A 26 -8.402 -8.535 -1.590 1.00 0.88 O ATOM 392 CB LYS A 26 -8.842 -10.202 -4.292 1.00 0.95 C ATOM 393 CG LYS A 26 -9.599 -10.691 -5.513 1.00 1.34 C ATOM 394 CD LYS A 26 -8.654 -10.836 -6.695 1.00 1.42 C ATOM 395 CE LYS A 26 -9.237 -11.721 -7.784 1.00 1.61 C ATOM 396 NZ LYS A 26 -8.221 -12.064 -8.815 1.00 2.20 N ATOM 0 H LYS A 26 -10.193 -7.933 -3.052 1.00 0.65 H new ATOM 0 HA LYS A 26 -10.293 -10.843 -2.817 1.00 0.73 H new ATOM 0 HB2 LYS A 26 -8.338 -9.271 -4.550 1.00 0.95 H new ATOM 0 HB3 LYS A 26 -8.066 -10.929 -4.055 1.00 0.95 H new ATOM 0 HG2 LYS A 26 -10.072 -11.649 -5.297 1.00 1.34 H new ATOM 0 HG3 LYS A 26 -10.397 -9.990 -5.760 1.00 1.34 H new ATOM 0 HD2 LYS A 26 -8.435 -9.851 -7.107 1.00 1.42 H new ATOM 0 HD3 LYS A 26 -7.708 -11.257 -6.354 1.00 1.42 H new ATOM 0 HE2 LYS A 26 -9.628 -12.636 -7.339 1.00 1.61 H new ATOM 0 HE3 LYS A 26 -10.077 -11.212 -8.256 1.00 1.61 H new ATOM 0 HZ1 LYS A 26 -8.528 -12.909 -9.337 1.00 2.20 H new ATOM 0 HZ2 LYS A 26 -8.115 -11.268 -9.476 1.00 2.20 H new ATOM 0 HZ3 LYS A 26 -7.309 -12.254 -8.353 1.00 2.20 H new ATOM 410 N LEU A 27 -8.265 -10.763 -1.250 1.00 0.67 N ATOM 411 CA LEU A 27 -7.309 -10.669 -0.157 1.00 0.65 C ATOM 412 C LEU A 27 -5.967 -10.246 -0.731 1.00 0.67 C ATOM 413 O LEU A 27 -5.387 -10.942 -1.564 1.00 1.02 O ATOM 414 CB LEU A 27 -7.178 -12.017 0.562 1.00 0.76 C ATOM 415 CG LEU A 27 -6.233 -12.049 1.781 1.00 0.93 C ATOM 416 CD1 LEU A 27 -6.744 -11.143 2.894 1.00 1.31 C ATOM 417 CD2 LEU A 27 -6.084 -13.471 2.292 1.00 1.23 C ATOM 0 H LEU A 27 -8.537 -11.718 -1.484 1.00 0.67 H new ATOM 0 HA LEU A 27 -7.653 -9.935 0.571 1.00 0.65 H new ATOM 0 HB2 LEU A 27 -8.170 -12.329 0.889 1.00 0.76 H new ATOM 0 HB3 LEU A 27 -6.833 -12.758 -0.159 1.00 0.76 H new ATOM 0 HG LEU A 27 -5.258 -11.681 1.463 1.00 0.93 H new ATOM 0 HD11 LEU A 27 -6.059 -11.185 3.741 1.00 1.31 H new ATOM 0 HD12 LEU A 27 -6.807 -10.118 2.529 1.00 1.31 H new ATOM 0 HD13 LEU A 27 -7.732 -11.477 3.210 1.00 1.31 H new ATOM 0 HD21 LEU A 27 -5.415 -13.480 3.152 1.00 1.23 H new ATOM 0 HD22 LEU A 27 -7.060 -13.856 2.588 1.00 1.23 H new ATOM 0 HD23 LEU A 27 -5.670 -14.099 1.503 1.00 1.23 H new ATOM 429 N ARG A 28 -5.495 -9.094 -0.298 1.00 0.57 N ATOM 430 CA ARG A 28 -4.233 -8.545 -0.771 1.00 0.59 C ATOM 431 C ARG A 28 -3.482 -7.877 0.368 1.00 0.55 C ATOM 432 O ARG A 28 -4.087 -7.392 1.327 1.00 0.64 O ATOM 433 CB ARG A 28 -4.469 -7.540 -1.901 1.00 0.71 C ATOM 434 CG ARG A 28 -4.771 -8.181 -3.244 1.00 1.41 C ATOM 435 CD ARG A 28 -5.030 -7.124 -4.301 1.00 1.72 C ATOM 436 NE ARG A 28 -6.345 -6.517 -4.143 1.00 1.97 N ATOM 437 CZ ARG A 28 -7.448 -7.031 -4.667 1.00 2.42 C ATOM 438 NH1 ARG A 28 -7.361 -7.634 -5.842 1.00 2.77 N ATOM 439 NH2 ARG A 28 -8.617 -6.511 -4.332 1.00 3.18 N ATOM 0 H ARG A 28 -5.972 -8.511 0.390 1.00 0.57 H new ATOM 0 HA ARG A 28 -3.630 -9.368 -1.156 1.00 0.59 H new ATOM 0 HB2 ARG A 28 -5.298 -6.888 -1.626 1.00 0.71 H new ATOM 0 HB3 ARG A 28 -3.587 -6.908 -2.002 1.00 0.71 H new ATOM 0 HG2 ARG A 28 -3.933 -8.809 -3.549 1.00 1.41 H new ATOM 0 HG3 ARG A 28 -5.641 -8.832 -3.154 1.00 1.41 H new ATOM 0 HD2 ARG A 28 -4.263 -6.352 -4.240 1.00 1.72 H new ATOM 0 HD3 ARG A 28 -4.953 -7.573 -5.291 1.00 1.72 H new ATOM 0 HE ARG A 28 -6.420 -5.655 -3.603 1.00 1.97 H new ATOM 0 HH11 ARG A 28 -6.462 -7.694 -6.319 1.00 2.77 H new ATOM 0 HH12 ARG A 28 -8.193 -8.039 -6.270 1.00 2.77 H new ATOM 0 HH21 ARG A 28 -8.659 -5.727 -3.680 1.00 3.18 H new ATOM 0 HH22 ARG A 28 -9.477 -6.894 -4.725 1.00 3.18 H new ATOM 453 N TYR A 29 -2.166 -7.864 0.259 1.00 0.55 N ATOM 454 CA TYR A 29 -1.323 -7.268 1.281 1.00 0.59 C ATOM 455 C TYR A 29 -0.709 -5.972 0.757 1.00 0.55 C ATOM 456 O TYR A 29 -0.081 -5.957 -0.305 1.00 0.70 O ATOM 457 CB TYR A 29 -0.238 -8.267 1.715 1.00 0.71 C ATOM 458 CG TYR A 29 -0.776 -9.531 2.356 1.00 0.77 C ATOM 459 CD1 TYR A 29 -2.111 -9.636 2.731 1.00 1.46 C ATOM 460 CD2 TYR A 29 0.057 -10.614 2.600 1.00 1.38 C ATOM 461 CE1 TYR A 29 -2.601 -10.781 3.326 1.00 1.63 C ATOM 462 CE2 TYR A 29 -0.423 -11.765 3.198 1.00 1.55 C ATOM 463 CZ TYR A 29 -1.754 -11.845 3.559 1.00 1.26 C ATOM 464 OH TYR A 29 -2.238 -12.990 4.159 1.00 1.58 O ATOM 0 H TYR A 29 -1.656 -8.261 -0.530 1.00 0.55 H new ATOM 0 HA TYR A 29 -1.927 -7.026 2.156 1.00 0.59 H new ATOM 0 HB2 TYR A 29 0.358 -8.540 0.844 1.00 0.71 H new ATOM 0 HB3 TYR A 29 0.433 -7.774 2.418 1.00 0.71 H new ATOM 0 HD1 TYR A 29 -2.778 -8.805 2.553 1.00 1.46 H new ATOM 0 HD2 TYR A 29 1.098 -10.557 2.318 1.00 1.38 H new ATOM 0 HE1 TYR A 29 -3.642 -10.844 3.608 1.00 1.63 H new ATOM 0 HE2 TYR A 29 0.240 -12.598 3.382 1.00 1.55 H new ATOM 0 HH TYR A 29 -1.513 -13.643 4.250 1.00 1.58 H new ATOM 474 N VAL A 30 -0.924 -4.885 1.491 1.00 0.48 N ATOM 475 CA VAL A 30 -0.416 -3.579 1.094 1.00 0.48 C ATOM 476 C VAL A 30 0.843 -3.199 1.852 1.00 0.49 C ATOM 477 O VAL A 30 0.807 -2.893 3.047 1.00 0.59 O ATOM 478 CB VAL A 30 -1.465 -2.455 1.288 1.00 0.54 C ATOM 479 CG1 VAL A 30 -0.846 -1.093 1.028 1.00 0.60 C ATOM 480 CG2 VAL A 30 -2.653 -2.674 0.385 1.00 0.65 C ATOM 0 H VAL A 30 -1.448 -4.884 2.366 1.00 0.48 H new ATOM 0 HA VAL A 30 -0.184 -3.672 0.033 1.00 0.48 H new ATOM 0 HB VAL A 30 -1.808 -2.486 2.322 1.00 0.54 H new ATOM 0 HG11 VAL A 30 -1.599 -0.318 1.170 1.00 0.60 H new ATOM 0 HG12 VAL A 30 -0.022 -0.929 1.722 1.00 0.60 H new ATOM 0 HG13 VAL A 30 -0.472 -1.053 0.005 1.00 0.60 H new ATOM 0 HG21 VAL A 30 -3.378 -1.874 0.537 1.00 0.65 H new ATOM 0 HG22 VAL A 30 -2.325 -2.674 -0.654 1.00 0.65 H new ATOM 0 HG23 VAL A 30 -3.116 -3.632 0.619 1.00 0.65 H new ATOM 490 N PHE A 31 1.948 -3.182 1.132 1.00 0.49 N ATOM 491 CA PHE A 31 3.222 -2.789 1.704 1.00 0.54 C ATOM 492 C PHE A 31 3.635 -1.485 1.060 1.00 0.52 C ATOM 493 O PHE A 31 3.874 -1.452 -0.140 1.00 0.56 O ATOM 494 CB PHE A 31 4.341 -3.803 1.426 1.00 0.61 C ATOM 495 CG PHE A 31 3.934 -5.241 1.432 1.00 0.61 C ATOM 496 CD1 PHE A 31 3.231 -5.794 0.369 1.00 1.22 C ATOM 497 CD2 PHE A 31 4.264 -6.048 2.506 1.00 1.44 C ATOM 498 CE1 PHE A 31 2.863 -7.125 0.387 1.00 1.30 C ATOM 499 CE2 PHE A 31 3.899 -7.376 2.530 1.00 1.49 C ATOM 500 CZ PHE A 31 3.199 -7.918 1.470 1.00 0.85 C ATOM 0 H PHE A 31 1.989 -3.437 0.145 1.00 0.49 H new ATOM 0 HA PHE A 31 3.089 -2.715 2.783 1.00 0.54 H new ATOM 0 HB2 PHE A 31 4.780 -3.574 0.455 1.00 0.61 H new ATOM 0 HB3 PHE A 31 5.124 -3.664 2.171 1.00 0.61 H new ATOM 0 HD1 PHE A 31 2.970 -5.178 -0.479 1.00 1.22 H new ATOM 0 HD2 PHE A 31 4.815 -5.631 3.336 1.00 1.44 H new ATOM 0 HE1 PHE A 31 2.314 -7.546 -0.442 1.00 1.30 H new ATOM 0 HE2 PHE A 31 4.160 -7.993 3.377 1.00 1.49 H new ATOM 0 HZ PHE A 31 2.914 -8.960 1.486 1.00 0.85 H new ATOM 510 N LEU A 32 3.774 -0.422 1.818 1.00 0.57 N ATOM 511 CA LEU A 32 4.229 0.816 1.212 1.00 0.59 C ATOM 512 C LEU A 32 5.729 0.888 1.430 1.00 0.67 C ATOM 513 O LEU A 32 6.194 0.715 2.557 1.00 0.84 O ATOM 514 CB LEU A 32 3.541 2.063 1.784 1.00 0.74 C ATOM 515 CG LEU A 32 2.024 1.990 2.001 1.00 0.98 C ATOM 516 CD1 LEU A 32 1.511 3.349 2.459 1.00 1.10 C ATOM 517 CD2 LEU A 32 1.328 1.563 0.729 1.00 1.43 C ATOM 0 H LEU A 32 3.587 -0.382 2.820 1.00 0.57 H new ATOM 0 HA LEU A 32 3.972 0.808 0.153 1.00 0.59 H new ATOM 0 HB2 LEU A 32 4.008 2.298 2.741 1.00 0.74 H new ATOM 0 HB3 LEU A 32 3.747 2.899 1.115 1.00 0.74 H new ATOM 0 HG LEU A 32 1.808 1.249 2.770 1.00 0.98 H new ATOM 0 HD11 LEU A 32 0.433 3.298 2.613 1.00 1.10 H new ATOM 0 HD12 LEU A 32 1.999 3.626 3.394 1.00 1.10 H new ATOM 0 HD13 LEU A 32 1.733 4.097 1.698 1.00 1.10 H new ATOM 0 HD21 LEU A 32 0.253 1.516 0.901 1.00 1.43 H new ATOM 0 HD22 LEU A 32 1.538 2.284 -0.061 1.00 1.43 H new ATOM 0 HD23 LEU A 32 1.690 0.580 0.428 1.00 1.43 H new ATOM 529 N PHE A 33 6.491 1.088 0.365 1.00 0.75 N ATOM 530 CA PHE A 33 7.942 1.117 0.486 1.00 0.96 C ATOM 531 C PHE A 33 8.543 2.396 -0.089 1.00 1.08 C ATOM 532 O PHE A 33 8.752 2.510 -1.299 1.00 1.56 O ATOM 533 CB PHE A 33 8.566 -0.093 -0.216 1.00 1.17 C ATOM 534 CG PHE A 33 8.476 -1.394 0.544 1.00 1.36 C ATOM 535 CD1 PHE A 33 8.076 -1.438 1.875 1.00 2.01 C ATOM 536 CD2 PHE A 33 8.779 -2.583 -0.093 1.00 1.79 C ATOM 537 CE1 PHE A 33 7.986 -2.645 2.548 1.00 2.28 C ATOM 538 CE2 PHE A 33 8.685 -3.790 0.574 1.00 2.06 C ATOM 539 CZ PHE A 33 8.289 -3.821 1.894 1.00 2.01 C ATOM 0 H PHE A 33 6.136 1.231 -0.580 1.00 0.75 H new ATOM 0 HA PHE A 33 8.168 1.084 1.552 1.00 0.96 H new ATOM 0 HB2 PHE A 33 8.081 -0.222 -1.184 1.00 1.17 H new ATOM 0 HB3 PHE A 33 9.616 0.123 -0.412 1.00 1.17 H new ATOM 0 HD1 PHE A 33 7.833 -0.520 2.390 1.00 2.01 H new ATOM 0 HD2 PHE A 33 9.094 -2.569 -1.126 1.00 1.79 H new ATOM 0 HE1 PHE A 33 7.679 -2.665 3.583 1.00 2.28 H new ATOM 0 HE2 PHE A 33 8.922 -4.710 0.060 1.00 2.06 H new ATOM 0 HZ PHE A 33 8.216 -4.764 2.415 1.00 2.01 H new ATOM 549 N ARG A 34 8.831 3.329 0.808 1.00 1.04 N ATOM 550 CA ARG A 34 9.435 4.630 0.486 1.00 1.17 C ATOM 551 C ARG A 34 8.539 5.475 -0.424 1.00 1.03 C ATOM 552 O ARG A 34 7.797 6.331 0.057 1.00 1.87 O ATOM 553 CB ARG A 34 10.825 4.463 -0.145 1.00 1.83 C ATOM 554 CG ARG A 34 11.670 5.728 -0.113 1.00 2.51 C ATOM 555 CD ARG A 34 12.992 5.514 -0.831 1.00 3.05 C ATOM 556 NE ARG A 34 12.865 5.628 -2.280 1.00 3.66 N ATOM 557 CZ ARG A 34 13.890 5.526 -3.124 1.00 4.29 C ATOM 558 NH1 ARG A 34 15.126 5.399 -2.656 1.00 4.48 N ATOM 559 NH2 ARG A 34 13.690 5.665 -4.428 1.00 5.12 N ATOM 0 H ARG A 34 8.650 3.207 1.804 1.00 1.04 H new ATOM 0 HA ARG A 34 9.544 5.161 1.431 1.00 1.17 H new ATOM 0 HB2 ARG A 34 11.358 3.668 0.377 1.00 1.83 H new ATOM 0 HB3 ARG A 34 10.708 4.142 -1.180 1.00 1.83 H new ATOM 0 HG2 ARG A 34 11.125 6.547 -0.583 1.00 2.51 H new ATOM 0 HG3 ARG A 34 11.856 6.020 0.921 1.00 2.51 H new ATOM 0 HD2 ARG A 34 13.718 6.245 -0.474 1.00 3.05 H new ATOM 0 HD3 ARG A 34 13.383 4.528 -0.580 1.00 3.05 H new ATOM 0 HE ARG A 34 11.937 5.796 -2.669 1.00 3.66 H new ATOM 0 HH11 ARG A 34 15.291 5.380 -1.650 1.00 4.48 H new ATOM 0 HH12 ARG A 34 15.911 5.321 -3.303 1.00 4.48 H new ATOM 0 HH21 ARG A 34 12.752 5.850 -4.783 1.00 5.12 H new ATOM 0 HH22 ARG A 34 14.474 5.587 -5.075 1.00 5.12 H new ATOM 573 N ASN A 35 8.618 5.256 -1.731 1.00 0.98 N ATOM 574 CA ASN A 35 7.818 6.031 -2.674 1.00 1.38 C ATOM 575 C ASN A 35 6.705 5.219 -3.291 1.00 1.09 C ATOM 576 O ASN A 35 5.637 5.749 -3.577 1.00 1.24 O ATOM 577 CB ASN A 35 8.679 6.578 -3.807 1.00 2.08 C ATOM 578 CG ASN A 35 9.676 7.607 -3.343 1.00 2.84 C ATOM 579 OD1 ASN A 35 10.609 7.301 -2.610 1.00 3.26 O ATOM 580 ND2 ASN A 35 9.473 8.843 -3.758 1.00 3.64 N ATOM 0 H ASN A 35 9.222 4.555 -2.160 1.00 0.98 H new ATOM 0 HA ASN A 35 7.387 6.846 -2.093 1.00 1.38 H new ATOM 0 HB2 ASN A 35 9.210 5.754 -4.283 1.00 2.08 H new ATOM 0 HB3 ASN A 35 8.034 7.021 -4.565 1.00 2.08 H new ATOM 0 HD21 ASN A 35 10.106 9.589 -3.469 1.00 3.64 H new ATOM 0 HD22 ASN A 35 8.683 9.053 -4.368 1.00 3.64 H new ATOM 587 N LYS A 36 6.970 3.959 -3.577 1.00 0.89 N ATOM 588 CA LYS A 36 5.983 3.132 -4.240 1.00 0.69 C ATOM 589 C LYS A 36 5.323 2.121 -3.308 1.00 0.66 C ATOM 590 O LYS A 36 5.893 1.696 -2.302 1.00 0.77 O ATOM 591 CB LYS A 36 6.621 2.431 -5.446 1.00 0.80 C ATOM 592 CG LYS A 36 7.846 1.573 -5.125 1.00 1.05 C ATOM 593 CD LYS A 36 7.478 0.141 -4.768 1.00 1.32 C ATOM 594 CE LYS A 36 8.714 -0.751 -4.669 1.00 1.84 C ATOM 595 NZ LYS A 36 9.398 -0.912 -5.984 1.00 2.23 N ATOM 0 H LYS A 36 7.850 3.490 -3.363 1.00 0.89 H new ATOM 0 HA LYS A 36 5.184 3.791 -4.580 1.00 0.69 H new ATOM 0 HB2 LYS A 36 5.869 1.800 -5.919 1.00 0.80 H new ATOM 0 HB3 LYS A 36 6.908 3.188 -6.176 1.00 0.80 H new ATOM 0 HG2 LYS A 36 8.517 1.569 -5.984 1.00 1.05 H new ATOM 0 HG3 LYS A 36 8.392 2.022 -4.295 1.00 1.05 H new ATOM 0 HD2 LYS A 36 6.943 0.129 -3.818 1.00 1.32 H new ATOM 0 HD3 LYS A 36 6.800 -0.259 -5.521 1.00 1.32 H new ATOM 0 HE2 LYS A 36 9.411 -0.324 -3.948 1.00 1.84 H new ATOM 0 HE3 LYS A 36 8.424 -1.731 -4.290 1.00 1.84 H new ATOM 0 HZ1 LYS A 36 10.040 -1.730 -5.944 1.00 2.23 H new ATOM 0 HZ2 LYS A 36 8.688 -1.065 -6.728 1.00 2.23 H new ATOM 0 HZ3 LYS A 36 9.944 -0.053 -6.199 1.00 2.23 H new ATOM 609 N ILE A 37 4.116 1.736 -3.688 1.00 0.61 N ATOM 610 CA ILE A 37 3.335 0.761 -2.942 1.00 0.60 C ATOM 611 C ILE A 37 3.564 -0.622 -3.542 1.00 0.54 C ATOM 612 O ILE A 37 3.415 -0.808 -4.749 1.00 0.75 O ATOM 613 CB ILE A 37 1.817 1.054 -3.021 1.00 0.73 C ATOM 614 CG1 ILE A 37 1.486 2.419 -2.421 1.00 0.85 C ATOM 615 CG2 ILE A 37 1.010 -0.040 -2.321 1.00 0.79 C ATOM 616 CD1 ILE A 37 0.027 2.801 -2.560 1.00 1.01 C ATOM 0 H ILE A 37 3.649 2.090 -4.523 1.00 0.61 H new ATOM 0 HA ILE A 37 3.654 0.813 -1.901 1.00 0.60 H new ATOM 0 HB ILE A 37 1.541 1.067 -4.075 1.00 0.73 H new ATOM 0 HG12 ILE A 37 1.754 2.418 -1.365 1.00 0.85 H new ATOM 0 HG13 ILE A 37 2.100 3.179 -2.905 1.00 0.85 H new ATOM 0 HG21 ILE A 37 -0.053 0.191 -2.391 1.00 0.79 H new ATOM 0 HG22 ILE A 37 1.206 -0.999 -2.800 1.00 0.79 H new ATOM 0 HG23 ILE A 37 1.301 -0.092 -1.272 1.00 0.79 H new ATOM 0 HD11 ILE A 37 -0.137 3.781 -2.112 1.00 1.01 H new ATOM 0 HD12 ILE A 37 -0.241 2.835 -3.616 1.00 1.01 H new ATOM 0 HD13 ILE A 37 -0.593 2.062 -2.052 1.00 1.01 H new ATOM 628 N MET A 38 3.896 -1.586 -2.706 1.00 0.51 N ATOM 629 CA MET A 38 4.107 -2.952 -3.150 1.00 0.59 C ATOM 630 C MET A 38 2.819 -3.736 -2.920 1.00 0.60 C ATOM 631 O MET A 38 2.297 -3.768 -1.805 1.00 0.98 O ATOM 632 CB MET A 38 5.280 -3.584 -2.393 1.00 0.75 C ATOM 633 CG MET A 38 5.499 -5.053 -2.715 1.00 1.40 C ATOM 634 SD MET A 38 6.970 -5.734 -1.921 1.00 1.72 S ATOM 635 CE MET A 38 6.843 -7.460 -2.391 1.00 2.53 C ATOM 0 H MET A 38 4.027 -1.447 -1.704 1.00 0.51 H new ATOM 0 HA MET A 38 4.357 -2.968 -4.211 1.00 0.59 H new ATOM 0 HB2 MET A 38 6.190 -3.031 -2.626 1.00 0.75 H new ATOM 0 HB3 MET A 38 5.108 -3.478 -1.322 1.00 0.75 H new ATOM 0 HG2 MET A 38 4.625 -5.623 -2.400 1.00 1.40 H new ATOM 0 HG3 MET A 38 5.586 -5.174 -3.795 1.00 1.40 H new ATOM 0 HE1 MET A 38 7.684 -8.014 -1.974 1.00 2.53 H new ATOM 0 HE2 MET A 38 5.910 -7.874 -2.008 1.00 2.53 H new ATOM 0 HE3 MET A 38 6.857 -7.543 -3.478 1.00 2.53 H new ATOM 645 N PHE A 39 2.280 -4.321 -3.978 1.00 0.61 N ATOM 646 CA PHE A 39 1.025 -5.051 -3.883 1.00 0.71 C ATOM 647 C PHE A 39 1.191 -6.533 -4.192 1.00 0.72 C ATOM 648 O PHE A 39 1.721 -6.903 -5.237 1.00 1.08 O ATOM 649 CB PHE A 39 0.036 -4.453 -4.876 1.00 1.11 C ATOM 650 CG PHE A 39 -1.191 -3.850 -4.267 1.00 0.58 C ATOM 651 CD1 PHE A 39 -1.089 -2.778 -3.404 1.00 1.31 C ATOM 652 CD2 PHE A 39 -2.448 -4.341 -4.580 1.00 1.32 C ATOM 653 CE1 PHE A 39 -2.218 -2.200 -2.861 1.00 1.69 C ATOM 654 CE2 PHE A 39 -3.584 -3.771 -4.037 1.00 1.66 C ATOM 655 CZ PHE A 39 -3.467 -2.697 -3.177 1.00 1.57 C ATOM 0 H PHE A 39 2.691 -4.305 -4.911 1.00 0.61 H new ATOM 0 HA PHE A 39 0.666 -4.963 -2.858 1.00 0.71 H new ATOM 0 HB2 PHE A 39 0.548 -3.686 -5.458 1.00 1.11 H new ATOM 0 HB3 PHE A 39 -0.270 -5.232 -5.574 1.00 1.11 H new ATOM 0 HD1 PHE A 39 -0.115 -2.387 -3.151 1.00 1.31 H new ATOM 0 HD2 PHE A 39 -2.541 -5.178 -5.256 1.00 1.32 H new ATOM 0 HE1 PHE A 39 -2.125 -1.359 -2.189 1.00 1.69 H new ATOM 0 HE2 PHE A 39 -4.559 -4.164 -4.284 1.00 1.66 H new ATOM 0 HZ PHE A 39 -4.352 -2.246 -2.752 1.00 1.57 H new ATOM 665 N THR A 40 0.697 -7.379 -3.302 1.00 0.63 N ATOM 666 CA THR A 40 0.744 -8.815 -3.512 1.00 0.74 C ATOM 667 C THR A 40 -0.679 -9.351 -3.482 1.00 0.84 C ATOM 668 O THR A 40 -1.506 -8.873 -2.700 1.00 1.16 O ATOM 669 CB THR A 40 1.585 -9.524 -2.441 1.00 0.98 C ATOM 670 OG1 THR A 40 1.144 -9.174 -1.146 1.00 1.45 O ATOM 671 CG2 THR A 40 3.072 -9.232 -2.517 1.00 1.35 C ATOM 0 H THR A 40 0.258 -7.094 -2.426 1.00 0.63 H new ATOM 0 HA THR A 40 1.214 -9.010 -4.476 1.00 0.74 H new ATOM 0 HB THR A 40 1.444 -10.586 -2.640 1.00 0.98 H new ATOM 0 HG1 THR A 40 0.265 -9.575 -0.980 1.00 1.45 H new ATOM 0 HG21 THR A 40 3.590 -9.773 -1.725 1.00 1.35 H new ATOM 0 HG22 THR A 40 3.456 -9.551 -3.486 1.00 1.35 H new ATOM 0 HG23 THR A 40 3.239 -8.162 -2.395 1.00 1.35 H new ATOM 679 N GLU A 41 -0.970 -10.330 -4.319 1.00 1.04 N ATOM 680 CA GLU A 41 -2.298 -10.903 -4.359 1.00 1.27 C ATOM 681 C GLU A 41 -2.308 -12.213 -3.579 1.00 1.20 C ATOM 682 O GLU A 41 -1.437 -13.061 -3.766 1.00 1.66 O ATOM 683 CB GLU A 41 -2.741 -11.136 -5.804 1.00 1.89 C ATOM 684 CG GLU A 41 -4.231 -11.415 -5.947 1.00 2.55 C ATOM 685 CD GLU A 41 -4.663 -11.573 -7.393 1.00 3.05 C ATOM 686 OE1 GLU A 41 -3.803 -11.445 -8.287 1.00 3.46 O ATOM 687 OE2 GLU A 41 -5.865 -11.816 -7.636 1.00 3.56 O ATOM 0 H GLU A 41 -0.307 -10.741 -4.976 1.00 1.04 H new ATOM 0 HA GLU A 41 -3.001 -10.207 -3.900 1.00 1.27 H new ATOM 0 HB2 GLU A 41 -2.485 -10.260 -6.399 1.00 1.89 H new ATOM 0 HB3 GLU A 41 -2.181 -11.976 -6.216 1.00 1.89 H new ATOM 0 HG2 GLU A 41 -4.481 -12.322 -5.397 1.00 2.55 H new ATOM 0 HG3 GLU A 41 -4.794 -10.601 -5.491 1.00 2.55 H new ATOM 694 N GLN A 42 -3.281 -12.368 -2.701 1.00 1.08 N ATOM 695 CA GLN A 42 -3.405 -13.572 -1.892 1.00 1.24 C ATOM 696 C GLN A 42 -4.804 -14.132 -2.087 1.00 1.37 C ATOM 697 O GLN A 42 -5.479 -14.500 -1.125 1.00 1.84 O ATOM 698 CB GLN A 42 -3.195 -13.265 -0.402 1.00 1.58 C ATOM 699 CG GLN A 42 -1.938 -12.478 -0.063 1.00 2.34 C ATOM 700 CD GLN A 42 -0.660 -13.217 -0.399 1.00 2.87 C ATOM 701 OE1 GLN A 42 -0.506 -14.393 -0.076 1.00 3.26 O ATOM 702 NE2 GLN A 42 0.282 -12.524 -1.015 1.00 3.46 N ATOM 0 H GLN A 42 -4.004 -11.670 -2.527 1.00 1.08 H new ATOM 0 HA GLN A 42 -2.645 -14.288 -2.203 1.00 1.24 H new ATOM 0 HB2 GLN A 42 -4.059 -12.709 -0.039 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -3.170 -14.208 0.145 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -1.954 -11.531 -0.602 1.00 2.34 H new ATOM 0 HG3 GLN A 42 -1.943 -12.240 1.001 1.00 2.34 H new ATOM 0 HE21 GLN A 42 0.116 -11.550 -1.267 1.00 3.46 H new ATOM 0 HE22 GLN A 42 1.175 -12.964 -1.239 1.00 3.46 H new ATOM 711 N ASP A 43 -5.255 -14.138 -3.334 1.00 1.32 N ATOM 712 CA ASP A 43 -6.601 -14.590 -3.656 1.00 1.60 C ATOM 713 C ASP A 43 -6.633 -15.935 -4.372 1.00 1.62 C ATOM 714 O ASP A 43 -5.676 -16.338 -5.036 1.00 1.97 O ATOM 715 CB ASP A 43 -7.303 -13.550 -4.534 1.00 2.08 C ATOM 716 CG ASP A 43 -8.733 -13.940 -4.833 1.00 2.50 C ATOM 717 OD1 ASP A 43 -9.548 -13.980 -3.886 1.00 2.96 O ATOM 718 OD2 ASP A 43 -9.039 -14.250 -5.999 1.00 2.87 O ATOM 0 H ASP A 43 -4.708 -13.835 -4.140 1.00 1.32 H new ATOM 0 HA ASP A 43 -7.117 -14.714 -2.704 1.00 1.60 H new ATOM 0 HB2 ASP A 43 -7.287 -12.582 -4.033 1.00 2.08 H new ATOM 0 HB3 ASP A 43 -6.755 -13.434 -5.469 1.00 2.08 H new ATOM 723 N ALA A 44 -7.779 -16.591 -4.255 1.00 1.87 N ATOM 724 CA ALA A 44 -8.046 -17.865 -4.893 1.00 2.28 C ATOM 725 C ALA A 44 -9.519 -17.932 -5.249 1.00 2.75 C ATOM 726 O ALA A 44 -10.191 -18.932 -4.995 1.00 3.39 O ATOM 727 CB ALA A 44 -7.690 -19.018 -3.983 1.00 2.82 C ATOM 0 H ALA A 44 -8.562 -16.243 -3.702 1.00 1.87 H new ATOM 0 HA ALA A 44 -7.433 -17.945 -5.791 1.00 2.28 H new ATOM 0 HB1 ALA A 44 -7.901 -19.960 -4.489 1.00 2.82 H new ATOM 0 HB2 ALA A 44 -6.630 -18.970 -3.733 1.00 2.82 H new ATOM 0 HB3 ALA A 44 -8.281 -18.957 -3.069 1.00 2.82 H new ATOM 733 N SER A 45 -10.027 -16.850 -5.812 1.00 3.20 N ATOM 734 CA SER A 45 -11.409 -16.774 -6.173 1.00 4.25 C ATOM 735 C SER A 45 -11.592 -16.745 -7.675 1.00 4.77 C ATOM 736 O SER A 45 -10.753 -16.245 -8.431 1.00 5.30 O ATOM 737 CB SER A 45 -12.038 -15.525 -5.565 1.00 4.93 C ATOM 738 OG SER A 45 -11.729 -15.426 -4.186 1.00 5.22 O ATOM 0 H SER A 45 -9.488 -16.011 -6.026 1.00 3.20 H new ATOM 0 HA SER A 45 -11.901 -17.666 -5.785 1.00 4.25 H new ATOM 0 HB2 SER A 45 -11.677 -14.639 -6.088 1.00 4.93 H new ATOM 0 HB3 SER A 45 -13.119 -15.555 -5.699 1.00 4.93 H new ATOM 0 HG SER A 45 -11.150 -14.650 -4.035 1.00 5.22 H new ATOM 744 N THR A 46 -12.721 -17.278 -8.054 1.00 5.00 N ATOM 745 CA THR A 46 -13.190 -17.375 -9.436 1.00 5.82 C ATOM 746 C THR A 46 -12.205 -18.110 -10.357 1.00 5.62 C ATOM 747 O THR A 46 -11.801 -19.235 -10.064 1.00 5.88 O ATOM 748 CB THR A 46 -13.592 -15.991 -10.001 1.00 6.59 C ATOM 749 OG1 THR A 46 -12.527 -15.056 -9.934 1.00 6.31 O ATOM 750 CG2 THR A 46 -14.780 -15.381 -9.284 1.00 7.39 C ATOM 0 H THR A 46 -13.380 -17.679 -7.387 1.00 5.00 H new ATOM 0 HA THR A 46 -14.089 -17.991 -9.411 1.00 5.82 H new ATOM 0 HB THR A 46 -13.858 -16.187 -11.040 1.00 6.59 H new ATOM 0 HG1 THR A 46 -11.689 -15.528 -9.748 1.00 6.31 H new ATOM 0 HG21 THR A 46 -15.013 -14.412 -9.726 1.00 7.39 H new ATOM 0 HG22 THR A 46 -15.642 -16.041 -9.381 1.00 7.39 H new ATOM 0 HG23 THR A 46 -14.540 -15.251 -8.229 1.00 7.39 H new ATOM 758 N SER A 47 -11.864 -17.498 -11.485 1.00 5.54 N ATOM 759 CA SER A 47 -10.981 -18.119 -12.465 1.00 5.68 C ATOM 760 C SER A 47 -9.548 -17.570 -12.440 1.00 5.14 C ATOM 761 O SER A 47 -8.606 -18.357 -12.503 1.00 5.00 O ATOM 762 CB SER A 47 -11.591 -17.969 -13.861 1.00 6.41 C ATOM 763 OG SER A 47 -12.901 -18.516 -13.907 1.00 6.89 O ATOM 0 H SER A 47 -12.188 -16.566 -11.745 1.00 5.54 H new ATOM 0 HA SER A 47 -10.897 -19.172 -12.198 1.00 5.68 H new ATOM 0 HB2 SER A 47 -11.624 -16.915 -14.136 1.00 6.41 H new ATOM 0 HB3 SER A 47 -10.958 -18.470 -14.594 1.00 6.41 H new ATOM 0 HG SER A 47 -13.270 -18.406 -14.808 1.00 6.89 H new ATOM 769 N PRO A 48 -9.329 -16.234 -12.402 1.00 5.23 N ATOM 770 CA PRO A 48 -7.993 -15.654 -12.415 1.00 5.13 C ATOM 771 C PRO A 48 -7.539 -15.138 -11.043 1.00 4.48 C ATOM 772 O PRO A 48 -7.613 -13.939 -10.763 1.00 4.75 O ATOM 773 CB PRO A 48 -8.190 -14.489 -13.377 1.00 5.87 C ATOM 774 CG PRO A 48 -9.632 -14.074 -13.204 1.00 6.34 C ATOM 775 CD PRO A 48 -10.324 -15.160 -12.404 1.00 5.91 C ATOM 0 HA PRO A 48 -7.224 -16.374 -12.693 1.00 5.13 H new ATOM 0 HB2 PRO A 48 -7.513 -13.667 -13.144 1.00 5.87 H new ATOM 0 HB3 PRO A 48 -7.987 -14.788 -14.405 1.00 5.87 H new ATOM 0 HG2 PRO A 48 -9.696 -13.117 -12.687 1.00 6.34 H new ATOM 0 HG3 PRO A 48 -10.113 -13.946 -14.174 1.00 6.34 H new ATOM 0 HD2 PRO A 48 -10.566 -14.829 -11.394 1.00 5.91 H new ATOM 0 HD3 PRO A 48 -11.259 -15.473 -12.869 1.00 5.91 H new ATOM 783 N PRO A 49 -7.079 -16.032 -10.166 1.00 4.08 N ATOM 784 CA PRO A 49 -6.626 -15.693 -8.840 1.00 3.90 C ATOM 785 C PRO A 49 -5.105 -15.694 -8.751 1.00 3.66 C ATOM 786 O PRO A 49 -4.417 -15.431 -9.743 1.00 4.13 O ATOM 787 CB PRO A 49 -7.207 -16.854 -8.032 1.00 4.20 C ATOM 788 CG PRO A 49 -7.233 -18.020 -8.986 1.00 4.54 C ATOM 789 CD PRO A 49 -6.972 -17.472 -10.368 1.00 4.40 C ATOM 0 HA PRO A 49 -6.929 -14.700 -8.508 1.00 3.90 H new ATOM 0 HB2 PRO A 49 -6.593 -17.073 -7.158 1.00 4.20 H new ATOM 0 HB3 PRO A 49 -8.207 -16.620 -7.668 1.00 4.20 H new ATOM 0 HG2 PRO A 49 -6.476 -18.756 -8.715 1.00 4.54 H new ATOM 0 HG3 PRO A 49 -8.198 -18.526 -8.949 1.00 4.54 H new ATOM 0 HD2 PRO A 49 -5.987 -17.757 -10.738 1.00 4.40 H new ATOM 0 HD3 PRO A 49 -7.701 -17.835 -11.092 1.00 4.40 H new ATOM 797 N SER A 50 -4.599 -16.016 -7.565 1.00 3.25 N ATOM 798 CA SER A 50 -3.170 -16.088 -7.300 1.00 3.42 C ATOM 799 C SER A 50 -2.498 -14.735 -7.478 1.00 2.88 C ATOM 800 O SER A 50 -2.351 -13.992 -6.512 1.00 3.28 O ATOM 801 CB SER A 50 -2.508 -17.141 -8.191 1.00 4.28 C ATOM 802 OG SER A 50 -3.153 -18.400 -8.060 1.00 4.85 O ATOM 0 H SER A 50 -5.177 -16.236 -6.754 1.00 3.25 H new ATOM 0 HA SER A 50 -3.043 -16.384 -6.259 1.00 3.42 H new ATOM 0 HB2 SER A 50 -2.544 -16.817 -9.231 1.00 4.28 H new ATOM 0 HB3 SER A 50 -1.456 -17.238 -7.924 1.00 4.28 H new ATOM 0 HG SER A 50 -2.712 -19.055 -8.641 1.00 4.85 H new ATOM 808 N TYR A 51 -2.083 -14.418 -8.695 1.00 2.46 N ATOM 809 CA TYR A 51 -1.430 -13.152 -8.955 1.00 2.13 C ATOM 810 C TYR A 51 -1.644 -12.707 -10.400 1.00 2.52 C ATOM 811 O TYR A 51 -1.132 -13.331 -11.337 1.00 3.20 O ATOM 812 CB TYR A 51 0.061 -13.263 -8.626 1.00 2.21 C ATOM 813 CG TYR A 51 0.861 -12.055 -9.018 1.00 2.58 C ATOM 814 CD1 TYR A 51 0.661 -10.842 -8.387 1.00 3.33 C ATOM 815 CD2 TYR A 51 1.799 -12.125 -10.035 1.00 2.99 C ATOM 816 CE1 TYR A 51 1.374 -9.726 -8.759 1.00 4.15 C ATOM 817 CE2 TYR A 51 2.523 -11.015 -10.413 1.00 3.82 C ATOM 818 CZ TYR A 51 2.305 -9.817 -9.773 1.00 4.30 C ATOM 819 OH TYR A 51 3.003 -8.694 -10.157 1.00 5.34 O ATOM 0 H TYR A 51 -2.188 -15.019 -9.512 1.00 2.46 H new ATOM 0 HA TYR A 51 -1.875 -12.391 -8.314 1.00 2.13 H new ATOM 0 HB2 TYR A 51 0.175 -13.431 -7.555 1.00 2.21 H new ATOM 0 HB3 TYR A 51 0.471 -14.138 -9.131 1.00 2.21 H new ATOM 0 HD1 TYR A 51 -0.065 -10.769 -7.591 1.00 3.33 H new ATOM 0 HD2 TYR A 51 1.966 -13.065 -10.540 1.00 2.99 H new ATOM 0 HE1 TYR A 51 1.206 -8.783 -8.260 1.00 4.15 H new ATOM 0 HE2 TYR A 51 3.255 -11.085 -11.204 1.00 3.82 H new ATOM 0 HH TYR A 51 3.621 -8.925 -10.882 1.00 5.34 H new ATOM 829 N THR A 52 -2.415 -11.644 -10.579 1.00 2.67 N ATOM 830 CA THR A 52 -2.709 -11.134 -11.904 1.00 3.45 C ATOM 831 C THR A 52 -2.152 -9.708 -12.108 1.00 3.24 C ATOM 832 O THR A 52 -2.897 -8.728 -12.176 1.00 3.53 O ATOM 833 CB THR A 52 -4.223 -11.215 -12.167 1.00 4.25 C ATOM 834 OG1 THR A 52 -4.564 -10.636 -13.416 1.00 4.76 O ATOM 835 CG2 THR A 52 -5.063 -10.558 -11.091 1.00 4.89 C ATOM 0 H THR A 52 -2.848 -11.119 -9.819 1.00 2.67 H new ATOM 0 HA THR A 52 -2.203 -11.759 -12.640 1.00 3.45 H new ATOM 0 HB THR A 52 -4.448 -12.281 -12.168 1.00 4.25 H new ATOM 0 HG1 THR A 52 -5.532 -10.704 -13.555 1.00 4.76 H new ATOM 0 HG21 THR A 52 -6.119 -10.654 -11.344 1.00 4.89 H new ATOM 0 HG22 THR A 52 -4.873 -11.044 -10.134 1.00 4.89 H new ATOM 0 HG23 THR A 52 -4.802 -9.502 -11.020 1.00 4.89 H new ATOM 843 N HIS A 53 -0.828 -9.634 -12.261 1.00 3.23 N ATOM 844 CA HIS A 53 -0.088 -8.383 -12.528 1.00 3.30 C ATOM 845 C HIS A 53 -0.348 -7.250 -11.527 1.00 2.67 C ATOM 846 O HIS A 53 -1.283 -6.459 -11.684 1.00 3.21 O ATOM 847 CB HIS A 53 -0.372 -7.895 -13.957 1.00 4.24 C ATOM 848 CG HIS A 53 0.219 -8.776 -15.018 1.00 4.85 C ATOM 849 ND1 HIS A 53 1.580 -8.939 -15.200 1.00 5.28 N ATOM 850 CD2 HIS A 53 -0.376 -9.576 -15.936 1.00 5.52 C ATOM 851 CE1 HIS A 53 1.790 -9.801 -16.180 1.00 6.09 C ATOM 852 NE2 HIS A 53 0.622 -10.201 -16.639 1.00 6.21 N ATOM 0 H HIS A 53 -0.222 -10.453 -12.203 1.00 3.23 H new ATOM 0 HA HIS A 53 0.964 -8.641 -12.409 1.00 3.30 H new ATOM 0 HB2 HIS A 53 -1.450 -7.835 -14.105 1.00 4.24 H new ATOM 0 HB3 HIS A 53 0.022 -6.885 -14.073 1.00 4.24 H new ATOM 0 HD2 HIS A 53 -1.438 -9.699 -16.086 1.00 5.52 H new ATOM 0 HE1 HIS A 53 2.755 -10.123 -16.543 1.00 6.09 H new ATOM 0 HE2 HIS A 53 0.482 -10.869 -17.397 1.00 6.21 H new ATOM 861 N TYR A 54 0.524 -7.144 -10.524 1.00 2.10 N ATOM 862 CA TYR A 54 0.431 -6.084 -9.526 1.00 2.00 C ATOM 863 C TYR A 54 1.779 -5.391 -9.372 1.00 1.62 C ATOM 864 O TYR A 54 1.938 -4.233 -9.775 1.00 1.96 O ATOM 865 CB TYR A 54 -0.038 -6.631 -8.176 1.00 2.78 C ATOM 866 CG TYR A 54 -1.506 -6.989 -8.153 1.00 3.45 C ATOM 867 CD1 TYR A 54 -1.998 -8.059 -8.884 1.00 3.89 C ATOM 868 CD2 TYR A 54 -2.400 -6.241 -7.410 1.00 4.24 C ATOM 869 CE1 TYR A 54 -3.340 -8.374 -8.871 1.00 4.87 C ATOM 870 CE2 TYR A 54 -3.741 -6.551 -7.389 1.00 5.15 C ATOM 871 CZ TYR A 54 -4.207 -7.617 -8.120 1.00 5.40 C ATOM 872 OH TYR A 54 -5.545 -7.928 -8.097 1.00 6.50 O ATOM 0 H TYR A 54 1.306 -7.784 -10.383 1.00 2.10 H new ATOM 0 HA TYR A 54 -0.308 -5.360 -9.870 1.00 2.00 H new ATOM 0 HB2 TYR A 54 0.548 -7.515 -7.927 1.00 2.78 H new ATOM 0 HB3 TYR A 54 0.160 -5.889 -7.403 1.00 2.78 H new ATOM 0 HD1 TYR A 54 -1.318 -8.656 -9.474 1.00 3.89 H new ATOM 0 HD2 TYR A 54 -2.040 -5.399 -6.836 1.00 4.24 H new ATOM 0 HE1 TYR A 54 -3.708 -9.210 -9.447 1.00 4.87 H new ATOM 0 HE2 TYR A 54 -4.425 -5.958 -6.800 1.00 5.15 H new ATOM 0 HH TYR A 54 -6.072 -7.116 -8.251 1.00 6.50 H new ATOM 882 N SER A 55 2.739 -6.114 -8.790 1.00 1.34 N ATOM 883 CA SER A 55 4.090 -5.609 -8.565 1.00 1.50 C ATOM 884 C SER A 55 4.060 -4.360 -7.676 1.00 1.20 C ATOM 885 O SER A 55 3.750 -4.450 -6.484 1.00 1.33 O ATOM 886 CB SER A 55 4.797 -5.344 -9.908 1.00 2.13 C ATOM 887 OG SER A 55 6.197 -5.181 -9.738 1.00 2.61 O ATOM 0 H SER A 55 2.598 -7.069 -8.461 1.00 1.34 H new ATOM 0 HA SER A 55 4.666 -6.368 -8.036 1.00 1.50 H new ATOM 0 HB2 SER A 55 4.607 -6.173 -10.590 1.00 2.13 H new ATOM 0 HB3 SER A 55 4.379 -4.449 -10.370 1.00 2.13 H new ATOM 0 HG SER A 55 6.615 -5.016 -10.609 1.00 2.61 H new ATOM 893 N SER A 56 4.380 -3.208 -8.241 1.00 1.07 N ATOM 894 CA SER A 56 4.389 -1.969 -7.484 1.00 0.91 C ATOM 895 C SER A 56 3.597 -0.884 -8.211 1.00 0.80 C ATOM 896 O SER A 56 3.584 -0.837 -9.446 1.00 0.93 O ATOM 897 CB SER A 56 5.830 -1.510 -7.276 1.00 1.09 C ATOM 898 OG SER A 56 6.630 -2.553 -6.737 1.00 1.73 O ATOM 0 H SER A 56 4.637 -3.106 -9.223 1.00 1.07 H new ATOM 0 HA SER A 56 3.918 -2.146 -6.517 1.00 0.91 H new ATOM 0 HB2 SER A 56 6.250 -1.180 -8.226 1.00 1.09 H new ATOM 0 HB3 SER A 56 5.847 -0.651 -6.605 1.00 1.09 H new ATOM 0 HG SER A 56 7.364 -2.755 -7.355 1.00 1.73 H new ATOM 904 N ILE A 57 2.949 -0.008 -7.455 1.00 0.68 N ATOM 905 CA ILE A 57 2.182 1.072 -8.056 1.00 0.67 C ATOM 906 C ILE A 57 2.966 2.375 -7.931 1.00 0.63 C ATOM 907 O ILE A 57 3.969 2.429 -7.218 1.00 0.81 O ATOM 908 CB ILE A 57 0.774 1.201 -7.438 1.00 0.76 C ATOM 909 CG1 ILE A 57 -0.172 1.906 -8.423 1.00 0.92 C ATOM 910 CG2 ILE A 57 0.834 1.938 -6.113 1.00 0.82 C ATOM 911 CD1 ILE A 57 -1.592 2.037 -7.925 1.00 0.81 C ATOM 0 H ILE A 57 2.939 -0.024 -6.435 1.00 0.68 H new ATOM 0 HA ILE A 57 2.031 0.842 -9.111 1.00 0.67 H new ATOM 0 HB ILE A 57 0.384 0.202 -7.243 1.00 0.76 H new ATOM 0 HG12 ILE A 57 0.220 2.900 -8.638 1.00 0.92 H new ATOM 0 HG13 ILE A 57 -0.177 1.355 -9.363 1.00 0.92 H new ATOM 0 HG21 ILE A 57 -0.170 2.018 -5.695 1.00 0.82 H new ATOM 0 HG22 ILE A 57 1.473 1.390 -5.421 1.00 0.82 H new ATOM 0 HG23 ILE A 57 1.242 2.937 -6.270 1.00 0.82 H new ATOM 0 HD11 ILE A 57 -2.196 2.545 -8.677 1.00 0.81 H new ATOM 0 HD12 ILE A 57 -2.005 1.046 -7.737 1.00 0.81 H new ATOM 0 HD13 ILE A 57 -1.602 2.615 -7.001 1.00 0.81 H new ATOM 923 N ARG A 58 2.530 3.416 -8.617 1.00 0.66 N ATOM 924 CA ARG A 58 3.244 4.680 -8.560 1.00 0.73 C ATOM 925 C ARG A 58 2.476 5.750 -7.795 1.00 0.75 C ATOM 926 O ARG A 58 1.299 5.998 -8.051 1.00 0.91 O ATOM 927 CB ARG A 58 3.561 5.177 -9.964 1.00 0.96 C ATOM 928 CG ARG A 58 4.997 5.641 -10.149 1.00 1.24 C ATOM 929 CD ARG A 58 5.326 6.817 -9.255 1.00 1.86 C ATOM 930 NE ARG A 58 6.740 7.195 -9.319 1.00 2.47 N ATOM 931 CZ ARG A 58 7.380 7.531 -10.437 1.00 2.95 C ATOM 932 NH1 ARG A 58 6.699 7.799 -11.539 1.00 3.22 N ATOM 933 NH2 ARG A 58 8.673 7.801 -10.395 1.00 3.70 N ATOM 0 H ARG A 58 1.700 3.414 -9.210 1.00 0.66 H new ATOM 0 HA ARG A 58 4.172 4.493 -8.019 1.00 0.73 H new ATOM 0 HB2 ARG A 58 3.354 4.378 -10.676 1.00 0.96 H new ATOM 0 HB3 ARG A 58 2.890 6.001 -10.206 1.00 0.96 H new ATOM 0 HG2 ARG A 58 5.676 4.817 -9.931 1.00 1.24 H new ATOM 0 HG3 ARG A 58 5.158 5.920 -11.190 1.00 1.24 H new ATOM 0 HD2 ARG A 58 4.712 7.670 -9.543 1.00 1.86 H new ATOM 0 HD3 ARG A 58 5.066 6.570 -8.226 1.00 1.86 H new ATOM 0 HE ARG A 58 7.270 7.201 -8.448 1.00 2.47 H new ATOM 0 HH11 ARG A 58 5.680 7.749 -11.534 1.00 3.22 H new ATOM 0 HH12 ARG A 58 7.193 8.056 -12.394 1.00 3.22 H new ATOM 0 HH21 ARG A 58 9.176 7.751 -9.509 1.00 3.70 H new ATOM 0 HH22 ARG A 58 9.168 8.059 -11.249 1.00 3.70 H new ATOM 947 N LEU A 59 3.175 6.361 -6.845 1.00 0.85 N ATOM 948 CA LEU A 59 2.622 7.403 -5.984 1.00 1.02 C ATOM 949 C LEU A 59 3.032 8.801 -6.444 1.00 1.15 C ATOM 950 O LEU A 59 2.937 9.763 -5.681 1.00 1.59 O ATOM 951 CB LEU A 59 3.089 7.194 -4.534 1.00 1.28 C ATOM 952 CG LEU A 59 2.383 6.076 -3.767 1.00 1.35 C ATOM 953 CD1 LEU A 59 2.695 4.725 -4.386 1.00 1.35 C ATOM 954 CD2 LEU A 59 2.764 6.112 -2.296 1.00 1.79 C ATOM 0 H LEU A 59 4.152 6.145 -6.648 1.00 0.85 H new ATOM 0 HA LEU A 59 1.536 7.328 -6.044 1.00 1.02 H new ATOM 0 HB2 LEU A 59 4.159 6.985 -4.542 1.00 1.28 H new ATOM 0 HB3 LEU A 59 2.951 8.128 -3.989 1.00 1.28 H new ATOM 0 HG LEU A 59 1.307 6.234 -3.835 1.00 1.35 H new ATOM 0 HD11 LEU A 59 2.184 3.942 -3.827 1.00 1.35 H new ATOM 0 HD12 LEU A 59 2.355 4.712 -5.422 1.00 1.35 H new ATOM 0 HD13 LEU A 59 3.770 4.550 -4.355 1.00 1.35 H new ATOM 0 HD21 LEU A 59 2.251 5.308 -1.768 1.00 1.79 H new ATOM 0 HD22 LEU A 59 3.842 5.982 -2.196 1.00 1.79 H new ATOM 0 HD23 LEU A 59 2.473 7.071 -1.868 1.00 1.79 H new ATOM 966 N ASP A 60 3.498 8.930 -7.676 1.00 1.13 N ATOM 967 CA ASP A 60 3.915 10.242 -8.157 1.00 1.33 C ATOM 968 C ASP A 60 2.778 10.973 -8.848 1.00 1.33 C ATOM 969 O ASP A 60 2.710 12.199 -8.812 1.00 1.56 O ATOM 970 CB ASP A 60 5.109 10.138 -9.103 1.00 1.46 C ATOM 971 CG ASP A 60 5.693 11.498 -9.436 1.00 1.90 C ATOM 972 OD1 ASP A 60 6.075 12.229 -8.494 1.00 2.52 O ATOM 973 OD2 ASP A 60 5.781 11.841 -10.635 1.00 2.27 O ATOM 0 H ASP A 60 3.596 8.168 -8.346 1.00 1.13 H new ATOM 0 HA ASP A 60 4.213 10.815 -7.279 1.00 1.33 H new ATOM 0 HB2 ASP A 60 5.879 9.515 -8.647 1.00 1.46 H new ATOM 0 HB3 ASP A 60 4.800 9.641 -10.023 1.00 1.46 H new ATOM 978 N LYS A 61 1.886 10.238 -9.491 1.00 1.22 N ATOM 979 CA LYS A 61 0.784 10.875 -10.189 1.00 1.28 C ATOM 980 C LYS A 61 -0.568 10.246 -9.881 1.00 1.06 C ATOM 981 O LYS A 61 -1.346 9.957 -10.794 1.00 1.27 O ATOM 982 CB LYS A 61 1.028 10.872 -11.699 1.00 1.60 C ATOM 983 CG LYS A 61 2.098 11.857 -12.142 1.00 1.93 C ATOM 984 CD LYS A 61 2.149 11.993 -13.650 1.00 2.55 C ATOM 985 CE LYS A 61 3.277 12.918 -14.072 1.00 3.16 C ATOM 986 NZ LYS A 61 3.209 13.250 -15.511 1.00 3.92 N ATOM 0 H LYS A 61 1.902 9.220 -9.544 1.00 1.22 H new ATOM 0 HA LYS A 61 0.747 11.901 -9.824 1.00 1.28 H new ATOM 0 HB2 LYS A 61 1.318 9.868 -12.010 1.00 1.60 H new ATOM 0 HB3 LYS A 61 0.095 11.107 -12.210 1.00 1.60 H new ATOM 0 HG2 LYS A 61 1.902 12.832 -11.696 1.00 1.93 H new ATOM 0 HG3 LYS A 61 3.070 11.528 -11.774 1.00 1.93 H new ATOM 0 HD2 LYS A 61 2.289 11.012 -14.103 1.00 2.55 H new ATOM 0 HD3 LYS A 61 1.199 12.381 -14.017 1.00 2.55 H new ATOM 0 HE2 LYS A 61 3.233 13.836 -13.485 1.00 3.16 H new ATOM 0 HE3 LYS A 61 4.235 12.446 -13.853 1.00 3.16 H new ATOM 0 HZ1 LYS A 61 3.996 13.883 -15.759 1.00 3.92 H new ATOM 0 HZ2 LYS A 61 3.277 12.377 -16.072 1.00 3.92 H new ATOM 0 HZ3 LYS A 61 2.306 13.724 -15.716 1.00 3.92 H new ATOM 1000 N TYR A 62 -0.881 10.084 -8.602 1.00 0.83 N ATOM 1001 CA TYR A 62 -2.183 9.553 -8.210 1.00 0.69 C ATOM 1002 C TYR A 62 -2.722 10.358 -7.029 1.00 0.67 C ATOM 1003 O TYR A 62 -1.954 10.853 -6.205 1.00 0.83 O ATOM 1004 CB TYR A 62 -2.125 8.032 -7.910 1.00 0.70 C ATOM 1005 CG TYR A 62 -1.880 7.623 -6.461 1.00 0.74 C ATOM 1006 CD1 TYR A 62 -2.830 7.819 -5.458 1.00 1.49 C ATOM 1007 CD2 TYR A 62 -0.695 7.012 -6.104 1.00 1.46 C ATOM 1008 CE1 TYR A 62 -2.589 7.424 -4.160 1.00 1.84 C ATOM 1009 CE2 TYR A 62 -0.455 6.616 -4.805 1.00 1.79 C ATOM 1010 CZ TYR A 62 -1.401 6.824 -3.840 1.00 1.66 C ATOM 1011 OH TYR A 62 -1.153 6.432 -2.546 1.00 2.21 O ATOM 0 H TYR A 62 -0.260 10.309 -7.825 1.00 0.83 H new ATOM 0 HA TYR A 62 -2.874 9.660 -9.046 1.00 0.69 H new ATOM 0 HB2 TYR A 62 -3.066 7.586 -8.234 1.00 0.70 H new ATOM 0 HB3 TYR A 62 -1.337 7.595 -8.524 1.00 0.70 H new ATOM 0 HD1 TYR A 62 -3.771 8.289 -5.703 1.00 1.49 H new ATOM 0 HD2 TYR A 62 0.060 6.841 -6.857 1.00 1.46 H new ATOM 0 HE1 TYR A 62 -3.336 7.587 -3.397 1.00 1.84 H new ATOM 0 HE2 TYR A 62 0.481 6.141 -4.550 1.00 1.79 H new ATOM 0 HH TYR A 62 -0.277 6.769 -2.264 1.00 2.21 H new ATOM 1021 N ASN A 63 -4.035 10.483 -6.951 1.00 0.64 N ATOM 1022 CA ASN A 63 -4.679 11.218 -5.873 1.00 0.73 C ATOM 1023 C ASN A 63 -5.071 10.248 -4.779 1.00 0.64 C ATOM 1024 O ASN A 63 -5.839 9.316 -5.012 1.00 0.73 O ATOM 1025 CB ASN A 63 -5.935 11.942 -6.366 1.00 0.89 C ATOM 1026 CG ASN A 63 -6.437 12.981 -5.382 1.00 1.49 C ATOM 1027 OD1 ASN A 63 -6.761 12.671 -4.237 1.00 2.15 O ATOM 1028 ND2 ASN A 63 -6.513 14.227 -5.824 1.00 2.13 N ATOM 0 H ASN A 63 -4.683 10.081 -7.628 1.00 0.64 H new ATOM 0 HA ASN A 63 -3.976 11.961 -5.497 1.00 0.73 H new ATOM 0 HB2 ASN A 63 -5.720 12.425 -7.319 1.00 0.89 H new ATOM 0 HB3 ASN A 63 -6.722 11.211 -6.549 1.00 0.89 H new ATOM 0 HD21 ASN A 63 -6.849 14.967 -5.208 1.00 2.13 H new ATOM 0 HD22 ASN A 63 -6.235 14.447 -6.781 1.00 2.13 H new ATOM 1035 N ILE A 64 -4.552 10.452 -3.597 1.00 0.74 N ATOM 1036 CA ILE A 64 -4.873 9.570 -2.494 1.00 0.70 C ATOM 1037 C ILE A 64 -6.010 10.169 -1.670 1.00 0.79 C ATOM 1038 O ILE A 64 -5.883 11.244 -1.074 1.00 1.00 O ATOM 1039 CB ILE A 64 -3.626 9.253 -1.625 1.00 0.76 C ATOM 1040 CG1 ILE A 64 -3.944 8.182 -0.583 1.00 0.80 C ATOM 1041 CG2 ILE A 64 -3.073 10.496 -0.941 1.00 0.91 C ATOM 1042 CD1 ILE A 64 -4.293 6.837 -1.183 1.00 1.18 C ATOM 0 H ILE A 64 -3.911 11.212 -3.369 1.00 0.74 H new ATOM 0 HA ILE A 64 -5.208 8.615 -2.899 1.00 0.70 H new ATOM 0 HB ILE A 64 -2.859 8.875 -2.301 1.00 0.76 H new ATOM 0 HG12 ILE A 64 -3.085 8.064 0.078 1.00 0.80 H new ATOM 0 HG13 ILE A 64 -4.776 8.522 0.033 1.00 0.80 H new ATOM 0 HG21 ILE A 64 -2.202 10.226 -0.344 1.00 0.91 H new ATOM 0 HG22 ILE A 64 -2.784 11.228 -1.695 1.00 0.91 H new ATOM 0 HG23 ILE A 64 -3.837 10.925 -0.293 1.00 0.91 H new ATOM 0 HD11 ILE A 64 -4.507 6.127 -0.384 1.00 1.18 H new ATOM 0 HD12 ILE A 64 -5.170 6.940 -1.821 1.00 1.18 H new ATOM 0 HD13 ILE A 64 -3.453 6.474 -1.776 1.00 1.18 H new ATOM 1054 N ARG A 65 -7.141 9.491 -1.680 1.00 0.69 N ATOM 1055 CA ARG A 65 -8.312 9.952 -0.968 1.00 0.80 C ATOM 1056 C ARG A 65 -8.530 9.106 0.269 1.00 0.68 C ATOM 1057 O ARG A 65 -7.964 8.021 0.399 1.00 0.71 O ATOM 1058 CB ARG A 65 -9.543 9.892 -1.860 1.00 0.97 C ATOM 1059 CG ARG A 65 -9.238 10.110 -3.334 1.00 1.24 C ATOM 1060 CD ARG A 65 -10.497 10.125 -4.183 1.00 1.78 C ATOM 1061 NE ARG A 65 -11.445 11.160 -3.772 1.00 2.20 N ATOM 1062 CZ ARG A 65 -12.587 11.409 -4.413 1.00 2.86 C ATOM 1063 NH1 ARG A 65 -12.775 10.935 -5.640 1.00 3.32 N ATOM 1064 NH2 ARG A 65 -13.444 12.290 -3.922 1.00 3.57 N ATOM 0 H ARG A 65 -7.272 8.611 -2.179 1.00 0.69 H new ATOM 0 HA ARG A 65 -8.150 10.988 -0.672 1.00 0.80 H new ATOM 0 HB2 ARG A 65 -10.024 8.922 -1.737 1.00 0.97 H new ATOM 0 HB3 ARG A 65 -10.258 10.646 -1.530 1.00 0.97 H new ATOM 0 HG2 ARG A 65 -8.707 11.054 -3.458 1.00 1.24 H new ATOM 0 HG3 ARG A 65 -8.573 9.321 -3.686 1.00 1.24 H new ATOM 0 HD2 ARG A 65 -10.224 10.282 -5.227 1.00 1.78 H new ATOM 0 HD3 ARG A 65 -10.982 9.150 -4.124 1.00 1.78 H new ATOM 0 HE ARG A 65 -11.220 11.722 -2.951 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -12.046 10.381 -6.090 1.00 3.32 H new ATOM 0 HH12 ARG A 65 -13.648 11.125 -6.132 1.00 3.32 H new ATOM 0 HH21 ARG A 65 -13.231 12.779 -3.053 1.00 3.57 H new ATOM 0 HH22 ARG A 65 -14.318 12.480 -4.413 1.00 3.57 H new ATOM 1078 N GLN A 66 -9.351 9.604 1.163 1.00 0.82 N ATOM 1079 CA GLN A 66 -9.658 8.913 2.404 1.00 0.83 C ATOM 1080 C GLN A 66 -10.966 9.462 2.958 1.00 0.99 C ATOM 1081 O GLN A 66 -11.111 10.671 3.130 1.00 1.30 O ATOM 1082 CB GLN A 66 -8.499 9.113 3.399 1.00 0.97 C ATOM 1083 CG GLN A 66 -8.696 8.463 4.765 1.00 1.30 C ATOM 1084 CD GLN A 66 -7.487 8.632 5.682 1.00 1.66 C ATOM 1085 OE1 GLN A 66 -7.462 8.106 6.795 1.00 2.14 O ATOM 1086 NE2 GLN A 66 -6.478 9.369 5.236 1.00 2.45 N ATOM 0 H GLN A 66 -9.828 10.499 1.056 1.00 0.82 H new ATOM 0 HA GLN A 66 -9.774 7.843 2.232 1.00 0.83 H new ATOM 0 HB2 GLN A 66 -7.587 8.716 2.954 1.00 0.97 H new ATOM 0 HB3 GLN A 66 -8.345 10.182 3.542 1.00 0.97 H new ATOM 0 HG2 GLN A 66 -9.573 8.896 5.245 1.00 1.30 H new ATOM 0 HG3 GLN A 66 -8.898 7.400 4.631 1.00 1.30 H new ATOM 0 HE21 GLN A 66 -6.526 9.793 4.309 1.00 2.45 H new ATOM 0 HE22 GLN A 66 -5.654 9.512 5.820 1.00 2.45 H new ATOM 1095 N HIS A 67 -11.928 8.588 3.217 1.00 0.94 N ATOM 1096 CA HIS A 67 -13.216 9.029 3.738 1.00 1.14 C ATOM 1097 C HIS A 67 -13.478 8.408 5.099 1.00 1.30 C ATOM 1098 O HIS A 67 -12.813 7.443 5.472 1.00 1.32 O ATOM 1099 CB HIS A 67 -14.349 8.687 2.775 1.00 1.28 C ATOM 1100 CG HIS A 67 -14.316 9.497 1.519 1.00 1.31 C ATOM 1101 ND1 HIS A 67 -14.304 10.871 1.515 1.00 1.60 N ATOM 1102 CD2 HIS A 67 -14.288 9.120 0.228 1.00 1.36 C ATOM 1103 CE1 HIS A 67 -14.270 11.303 0.271 1.00 1.79 C ATOM 1104 NE2 HIS A 67 -14.262 10.262 -0.538 1.00 1.61 N ATOM 0 H HIS A 67 -11.845 7.581 3.077 1.00 0.94 H new ATOM 0 HA HIS A 67 -13.180 10.113 3.845 1.00 1.14 H new ATOM 0 HB2 HIS A 67 -14.293 7.629 2.519 1.00 1.28 H new ATOM 0 HB3 HIS A 67 -15.304 8.844 3.277 1.00 1.28 H new ATOM 0 HD2 HIS A 67 -14.286 8.105 -0.140 1.00 1.36 H new ATOM 0 HE1 HIS A 67 -14.252 12.338 -0.035 1.00 1.79 H new ATOM 0 HE2 HIS A 67 -14.240 10.297 -1.557 1.00 1.61 H new ATOM 1113 N THR A 68 -14.430 8.960 5.842 1.00 1.74 N ATOM 1114 CA THR A 68 -14.745 8.449 7.170 1.00 2.04 C ATOM 1115 C THR A 68 -16.238 8.136 7.309 1.00 1.92 C ATOM 1116 O THR A 68 -17.001 8.915 7.882 1.00 2.16 O ATOM 1117 CB THR A 68 -14.310 9.470 8.228 1.00 2.74 C ATOM 1118 OG1 THR A 68 -13.020 9.975 7.930 1.00 3.12 O ATOM 1119 CG2 THR A 68 -14.262 8.912 9.636 1.00 3.23 C ATOM 0 H THR A 68 -14.995 9.757 5.549 1.00 1.74 H new ATOM 0 HA THR A 68 -14.200 7.517 7.320 1.00 2.04 H new ATOM 0 HB THR A 68 -15.069 10.251 8.195 1.00 2.74 H new ATOM 0 HG1 THR A 68 -12.343 9.314 8.185 1.00 3.12 H new ATOM 0 HG21 THR A 68 -13.946 9.694 10.327 1.00 3.23 H new ATOM 0 HG22 THR A 68 -15.252 8.555 9.920 1.00 3.23 H new ATOM 0 HG23 THR A 68 -13.553 8.085 9.676 1.00 3.23 H new ATOM 1127 N THR A 69 -16.649 6.990 6.786 1.00 2.34 N ATOM 1128 CA THR A 69 -18.041 6.561 6.854 1.00 2.58 C ATOM 1129 C THR A 69 -18.359 6.020 8.254 1.00 2.35 C ATOM 1130 O THR A 69 -19.436 6.241 8.812 1.00 2.76 O ATOM 1131 CB THR A 69 -18.277 5.493 5.789 1.00 3.11 C ATOM 1132 OG1 THR A 69 -17.133 4.662 5.680 1.00 3.61 O ATOM 1133 CG2 THR A 69 -18.568 6.054 4.410 1.00 3.69 C ATOM 0 H THR A 69 -16.033 6.334 6.305 1.00 2.34 H new ATOM 0 HA THR A 69 -18.702 7.407 6.666 1.00 2.58 H new ATOM 0 HB THR A 69 -19.157 4.940 6.119 1.00 3.11 H new ATOM 0 HG1 THR A 69 -17.290 3.977 4.997 1.00 3.61 H new ATOM 0 HG21 THR A 69 -18.724 5.234 3.709 1.00 3.69 H new ATOM 0 HG22 THR A 69 -19.465 6.672 4.451 1.00 3.69 H new ATOM 0 HG23 THR A 69 -17.725 6.659 4.078 1.00 3.69 H new ATOM 1141 N ASP A 70 -17.367 5.353 8.809 1.00 2.34 N ATOM 1142 CA ASP A 70 -17.390 4.780 10.154 1.00 2.43 C ATOM 1143 C ASP A 70 -15.947 4.755 10.562 1.00 2.17 C ATOM 1144 O ASP A 70 -15.522 5.408 11.511 1.00 2.45 O ATOM 1145 CB ASP A 70 -17.975 3.360 10.184 1.00 3.01 C ATOM 1146 CG ASP A 70 -18.055 2.781 11.591 1.00 3.63 C ATOM 1147 OD1 ASP A 70 -17.003 2.602 12.239 1.00 4.26 O ATOM 1148 OD2 ASP A 70 -19.177 2.500 12.055 1.00 3.96 O ATOM 0 H ASP A 70 -16.486 5.185 8.323 1.00 2.34 H new ATOM 0 HA ASP A 70 -18.024 5.363 10.821 1.00 2.43 H new ATOM 0 HB2 ASP A 70 -18.973 3.374 9.745 1.00 3.01 H new ATOM 0 HB3 ASP A 70 -17.363 2.707 9.562 1.00 3.01 H new ATOM 1153 N GLU A 71 -15.186 4.080 9.728 1.00 2.04 N ATOM 1154 CA GLU A 71 -13.758 4.031 9.857 1.00 2.00 C ATOM 1155 C GLU A 71 -13.208 4.862 8.711 1.00 1.55 C ATOM 1156 O GLU A 71 -13.971 5.594 8.071 1.00 1.90 O ATOM 1157 CB GLU A 71 -13.229 2.605 9.790 1.00 2.69 C ATOM 1158 CG GLU A 71 -13.370 1.846 11.096 1.00 3.30 C ATOM 1159 CD GLU A 71 -12.452 0.650 11.165 1.00 3.99 C ATOM 1160 OE1 GLU A 71 -12.634 -0.292 10.368 1.00 4.40 O ATOM 1161 OE2 GLU A 71 -11.515 0.664 12.000 1.00 4.50 O ATOM 0 H GLU A 71 -15.550 3.548 8.938 1.00 2.04 H new ATOM 0 HA GLU A 71 -13.446 4.419 10.827 1.00 2.00 H new ATOM 0 HB2 GLU A 71 -13.760 2.065 9.006 1.00 2.69 H new ATOM 0 HB3 GLU A 71 -12.177 2.629 9.504 1.00 2.69 H new ATOM 0 HG2 GLU A 71 -13.154 2.516 11.928 1.00 3.30 H new ATOM 0 HG3 GLU A 71 -14.402 1.516 11.212 1.00 3.30 H new ATOM 1168 N ASP A 72 -11.930 4.757 8.423 1.00 1.31 N ATOM 1169 CA ASP A 72 -11.366 5.517 7.324 1.00 1.10 C ATOM 1170 C ASP A 72 -11.008 4.595 6.174 1.00 0.90 C ATOM 1171 O ASP A 72 -10.391 3.548 6.368 1.00 1.26 O ATOM 1172 CB ASP A 72 -10.159 6.340 7.761 1.00 1.58 C ATOM 1173 CG ASP A 72 -10.532 7.430 8.746 1.00 2.08 C ATOM 1174 OD1 ASP A 72 -10.904 7.098 9.890 1.00 2.67 O ATOM 1175 OD2 ASP A 72 -10.456 8.622 8.379 1.00 2.64 O ATOM 0 H ASP A 72 -11.268 4.164 8.924 1.00 1.31 H new ATOM 0 HA ASP A 72 -12.125 6.221 6.984 1.00 1.10 H new ATOM 0 HB2 ASP A 72 -9.418 5.682 8.215 1.00 1.58 H new ATOM 0 HB3 ASP A 72 -9.692 6.790 6.885 1.00 1.58 H new ATOM 1180 N THR A 73 -11.442 4.983 4.987 1.00 0.74 N ATOM 1181 CA THR A 73 -11.213 4.207 3.776 1.00 0.65 C ATOM 1182 C THR A 73 -10.226 4.929 2.855 1.00 0.60 C ATOM 1183 O THR A 73 -10.426 6.098 2.524 1.00 0.79 O ATOM 1184 CB THR A 73 -12.556 3.995 3.053 1.00 0.79 C ATOM 1185 OG1 THR A 73 -13.525 3.464 3.943 1.00 0.89 O ATOM 1186 CG2 THR A 73 -12.480 3.065 1.855 1.00 0.94 C ATOM 0 H THR A 73 -11.964 5.846 4.834 1.00 0.74 H new ATOM 0 HA THR A 73 -10.784 3.241 4.043 1.00 0.65 H new ATOM 0 HB THR A 73 -12.835 4.986 2.694 1.00 0.79 H new ATOM 0 HG1 THR A 73 -14.372 3.338 3.467 1.00 0.89 H new ATOM 0 HG21 THR A 73 -13.468 2.971 1.404 1.00 0.94 H new ATOM 0 HG22 THR A 73 -11.784 3.472 1.122 1.00 0.94 H new ATOM 0 HG23 THR A 73 -12.133 2.083 2.178 1.00 0.94 H new ATOM 1194 N ILE A 74 -9.171 4.232 2.441 1.00 0.53 N ATOM 1195 CA ILE A 74 -8.167 4.812 1.555 1.00 0.52 C ATOM 1196 C ILE A 74 -8.534 4.515 0.096 1.00 0.50 C ATOM 1197 O ILE A 74 -8.672 3.361 -0.292 1.00 0.66 O ATOM 1198 CB ILE A 74 -6.768 4.241 1.881 1.00 0.62 C ATOM 1199 CG1 ILE A 74 -6.413 4.489 3.351 1.00 0.79 C ATOM 1200 CG2 ILE A 74 -5.707 4.824 0.969 1.00 0.73 C ATOM 1201 CD1 ILE A 74 -6.271 5.950 3.732 1.00 0.99 C ATOM 0 H ILE A 74 -8.990 3.264 2.706 1.00 0.53 H new ATOM 0 HA ILE A 74 -8.142 5.891 1.705 1.00 0.52 H new ATOM 0 HB ILE A 74 -6.799 3.165 1.709 1.00 0.62 H new ATOM 0 HG12 ILE A 74 -7.182 4.038 3.977 1.00 0.79 H new ATOM 0 HG13 ILE A 74 -5.478 3.977 3.576 1.00 0.79 H new ATOM 0 HG21 ILE A 74 -4.735 4.402 1.225 1.00 0.73 H new ATOM 0 HG22 ILE A 74 -5.946 4.584 -0.067 1.00 0.73 H new ATOM 0 HG23 ILE A 74 -5.676 5.907 1.092 1.00 0.73 H new ATOM 0 HD11 ILE A 74 -6.019 6.027 4.790 1.00 0.99 H new ATOM 0 HD12 ILE A 74 -5.480 6.406 3.136 1.00 0.99 H new ATOM 0 HD13 ILE A 74 -7.211 6.468 3.544 1.00 0.99 H new ATOM 1213 N VAL A 75 -8.717 5.564 -0.695 1.00 0.42 N ATOM 1214 CA VAL A 75 -9.098 5.423 -2.101 1.00 0.45 C ATOM 1215 C VAL A 75 -8.028 6.035 -2.997 1.00 0.46 C ATOM 1216 O VAL A 75 -7.604 7.160 -2.772 1.00 0.59 O ATOM 1217 CB VAL A 75 -10.439 6.146 -2.383 1.00 0.55 C ATOM 1218 CG1 VAL A 75 -10.861 5.981 -3.841 1.00 1.19 C ATOM 1219 CG2 VAL A 75 -11.540 5.669 -1.440 1.00 0.61 C ATOM 0 H VAL A 75 -8.608 6.530 -0.387 1.00 0.42 H new ATOM 0 HA VAL A 75 -9.205 4.359 -2.311 1.00 0.45 H new ATOM 0 HB VAL A 75 -10.281 7.208 -2.197 1.00 0.55 H new ATOM 0 HG11 VAL A 75 -11.805 6.499 -4.007 1.00 1.19 H new ATOM 0 HG12 VAL A 75 -10.095 6.404 -4.491 1.00 1.19 H new ATOM 0 HG13 VAL A 75 -10.984 4.922 -4.067 1.00 1.19 H new ATOM 0 HG21 VAL A 75 -12.467 6.197 -1.666 1.00 0.61 H new ATOM 0 HG22 VAL A 75 -11.692 4.598 -1.570 1.00 0.61 H new ATOM 0 HG23 VAL A 75 -11.249 5.871 -0.409 1.00 0.61 H new ATOM 1229 N LEU A 76 -7.599 5.310 -4.010 1.00 0.51 N ATOM 1230 CA LEU A 76 -6.585 5.814 -4.923 1.00 0.58 C ATOM 1231 C LEU A 76 -7.220 6.243 -6.252 1.00 0.59 C ATOM 1232 O LEU A 76 -7.859 5.441 -6.932 1.00 0.68 O ATOM 1233 CB LEU A 76 -5.493 4.760 -5.152 1.00 0.74 C ATOM 1234 CG LEU A 76 -4.561 4.488 -3.952 1.00 0.86 C ATOM 1235 CD1 LEU A 76 -5.277 3.757 -2.820 1.00 0.75 C ATOM 1236 CD2 LEU A 76 -3.348 3.696 -4.404 1.00 1.04 C ATOM 0 H LEU A 76 -7.934 4.371 -4.224 1.00 0.51 H new ATOM 0 HA LEU A 76 -6.120 6.691 -4.472 1.00 0.58 H new ATOM 0 HB2 LEU A 76 -5.972 3.823 -5.435 1.00 0.74 H new ATOM 0 HB3 LEU A 76 -4.882 5.075 -5.998 1.00 0.74 H new ATOM 0 HG LEU A 76 -4.240 5.454 -3.562 1.00 0.86 H new ATOM 0 HD11 LEU A 76 -4.581 3.588 -1.998 1.00 0.75 H new ATOM 0 HD12 LEU A 76 -6.113 4.361 -2.469 1.00 0.75 H new ATOM 0 HD13 LEU A 76 -5.649 2.799 -3.183 1.00 0.75 H new ATOM 0 HD21 LEU A 76 -2.697 3.509 -3.550 1.00 1.04 H new ATOM 0 HD22 LEU A 76 -3.672 2.746 -4.828 1.00 1.04 H new ATOM 0 HD23 LEU A 76 -2.803 4.264 -5.159 1.00 1.04 H new ATOM 1248 N GLN A 77 -7.053 7.517 -6.602 1.00 0.62 N ATOM 1249 CA GLN A 77 -7.616 8.069 -7.836 1.00 0.74 C ATOM 1250 C GLN A 77 -6.509 8.398 -8.830 1.00 0.78 C ATOM 1251 O GLN A 77 -5.754 9.351 -8.647 1.00 1.06 O ATOM 1252 CB GLN A 77 -8.414 9.335 -7.543 1.00 0.93 C ATOM 1253 CG GLN A 77 -9.521 9.590 -8.546 1.00 1.36 C ATOM 1254 CD GLN A 77 -10.631 8.565 -8.453 1.00 1.61 C ATOM 1255 OE1 GLN A 77 -11.177 8.317 -7.379 1.00 2.19 O ATOM 1256 NE2 GLN A 77 -10.973 7.968 -9.578 1.00 2.03 N ATOM 0 H GLN A 77 -6.529 8.192 -6.045 1.00 0.62 H new ATOM 0 HA GLN A 77 -8.277 7.316 -8.266 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -8.847 9.261 -6.545 1.00 0.93 H new ATOM 0 HB3 GLN A 77 -7.737 10.189 -7.534 1.00 0.93 H new ATOM 0 HG2 GLN A 77 -9.934 10.585 -8.382 1.00 1.36 H new ATOM 0 HG3 GLN A 77 -9.104 9.580 -9.553 1.00 1.36 H new ATOM 0 HE21 GLN A 77 -10.494 8.204 -10.447 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -11.717 7.270 -9.579 1.00 2.03 H new ATOM 1265 N PRO A 78 -6.391 7.603 -9.890 1.00 0.85 N ATOM 1266 CA PRO A 78 -5.365 7.792 -10.911 1.00 0.99 C ATOM 1267 C PRO A 78 -5.692 8.895 -11.913 1.00 1.02 C ATOM 1268 O PRO A 78 -6.826 9.021 -12.377 1.00 1.34 O ATOM 1269 CB PRO A 78 -5.342 6.443 -11.616 1.00 1.43 C ATOM 1270 CG PRO A 78 -6.738 5.940 -11.494 1.00 1.60 C ATOM 1271 CD PRO A 78 -7.242 6.435 -10.171 1.00 1.20 C ATOM 0 HA PRO A 78 -4.417 8.099 -10.469 1.00 0.99 H new ATOM 0 HB2 PRO A 78 -5.046 6.545 -12.660 1.00 1.43 H new ATOM 0 HB3 PRO A 78 -4.631 5.762 -11.148 1.00 1.43 H new ATOM 0 HG2 PRO A 78 -7.358 6.309 -12.311 1.00 1.60 H new ATOM 0 HG3 PRO A 78 -6.766 4.851 -11.540 1.00 1.60 H new ATOM 0 HD2 PRO A 78 -8.296 6.710 -10.221 1.00 1.20 H new ATOM 0 HD3 PRO A 78 -7.147 5.674 -9.396 1.00 1.20 H new ATOM 1279 N GLN A 79 -4.677 9.665 -12.268 1.00 1.17 N ATOM 1280 CA GLN A 79 -4.827 10.732 -13.251 1.00 1.56 C ATOM 1281 C GLN A 79 -4.071 10.348 -14.517 1.00 1.66 C ATOM 1282 O GLN A 79 -3.899 11.161 -15.429 1.00 2.02 O ATOM 1283 CB GLN A 79 -4.293 12.063 -12.715 1.00 2.04 C ATOM 1284 CG GLN A 79 -2.792 12.039 -12.470 1.00 2.20 C ATOM 1285 CD GLN A 79 -2.217 13.378 -12.054 1.00 2.84 C ATOM 1286 OE1 GLN A 79 -2.253 14.347 -12.810 1.00 3.22 O ATOM 1287 NE2 GLN A 79 -1.664 13.434 -10.853 1.00 3.46 N ATOM 0 H GLN A 79 -3.734 9.572 -11.889 1.00 1.17 H new ATOM 0 HA GLN A 79 -5.888 10.860 -13.467 1.00 1.56 H new ATOM 0 HB2 GLN A 79 -4.528 12.856 -13.425 1.00 2.04 H new ATOM 0 HB3 GLN A 79 -4.805 12.306 -11.784 1.00 2.04 H new ATOM 0 HG2 GLN A 79 -2.572 11.304 -11.696 1.00 2.20 H new ATOM 0 HG3 GLN A 79 -2.291 11.706 -13.379 1.00 2.20 H new ATOM 0 HE21 GLN A 79 -1.655 12.607 -10.257 1.00 3.46 H new ATOM 0 HE22 GLN A 79 -1.247 14.305 -10.524 1.00 3.46 H new ATOM 1296 N GLU A 80 -3.609 9.105 -14.550 1.00 1.50 N ATOM 1297 CA GLU A 80 -2.852 8.588 -15.678 1.00 1.81 C ATOM 1298 C GLU A 80 -3.458 7.304 -16.205 1.00 1.62 C ATOM 1299 O GLU A 80 -3.681 6.355 -15.445 1.00 1.78 O ATOM 1300 CB GLU A 80 -1.405 8.314 -15.272 1.00 2.37 C ATOM 1301 CG GLU A 80 -0.517 9.541 -15.288 1.00 3.06 C ATOM 1302 CD GLU A 80 -0.138 9.967 -16.693 1.00 3.86 C ATOM 1303 OE1 GLU A 80 -0.380 9.196 -17.643 1.00 4.35 O ATOM 1304 OE2 GLU A 80 0.416 11.071 -16.858 1.00 4.42 O ATOM 0 H GLU A 80 -3.749 8.430 -13.798 1.00 1.50 H new ATOM 0 HA GLU A 80 -2.882 9.346 -16.461 1.00 1.81 H new ATOM 0 HB2 GLU A 80 -1.395 7.884 -14.270 1.00 2.37 H new ATOM 0 HB3 GLU A 80 -0.985 7.566 -15.944 1.00 2.37 H new ATOM 0 HG2 GLU A 80 -1.030 10.363 -14.789 1.00 3.06 H new ATOM 0 HG3 GLU A 80 0.389 9.337 -14.717 1.00 3.06 H new ATOM 1311 N PRO A 81 -3.713 7.250 -17.519 1.00 1.93 N ATOM 1312 CA PRO A 81 -4.272 6.066 -18.160 1.00 2.28 C ATOM 1313 C PRO A 81 -3.333 4.872 -17.992 1.00 2.24 C ATOM 1314 O PRO A 81 -2.196 4.890 -18.465 1.00 2.80 O ATOM 1315 CB PRO A 81 -4.394 6.463 -19.639 1.00 2.89 C ATOM 1316 CG PRO A 81 -4.307 7.955 -19.660 1.00 3.10 C ATOM 1317 CD PRO A 81 -3.461 8.336 -18.478 1.00 2.53 C ATOM 0 HA PRO A 81 -5.227 5.765 -17.730 1.00 2.28 H new ATOM 0 HB2 PRO A 81 -3.597 6.015 -20.233 1.00 2.89 H new ATOM 0 HB3 PRO A 81 -5.338 6.119 -20.061 1.00 2.89 H new ATOM 0 HG2 PRO A 81 -3.860 8.307 -20.590 1.00 3.10 H new ATOM 0 HG3 PRO A 81 -5.298 8.405 -19.592 1.00 3.10 H new ATOM 0 HD2 PRO A 81 -2.406 8.402 -18.743 1.00 2.53 H new ATOM 0 HD3 PRO A 81 -3.749 9.306 -18.073 1.00 2.53 H new ATOM 1325 N GLY A 82 -3.799 3.857 -17.293 1.00 1.99 N ATOM 1326 CA GLY A 82 -2.989 2.688 -17.037 1.00 2.10 C ATOM 1327 C GLY A 82 -3.127 2.273 -15.590 1.00 1.96 C ATOM 1328 O GLY A 82 -2.947 1.106 -15.242 1.00 2.51 O ATOM 0 H GLY A 82 -4.736 3.820 -16.892 1.00 1.99 H new ATOM 0 HA2 GLY A 82 -3.297 1.871 -17.690 1.00 2.10 H new ATOM 0 HA3 GLY A 82 -1.945 2.901 -17.265 1.00 2.10 H new ATOM 1332 N LEU A 83 -3.478 3.246 -14.753 1.00 1.57 N ATOM 1333 CA LEU A 83 -3.678 3.009 -13.330 1.00 1.40 C ATOM 1334 C LEU A 83 -5.163 2.923 -13.004 1.00 1.22 C ATOM 1335 O LEU A 83 -5.955 3.762 -13.441 1.00 1.13 O ATOM 1336 CB LEU A 83 -3.059 4.129 -12.488 1.00 1.31 C ATOM 1337 CG LEU A 83 -1.532 4.143 -12.391 1.00 1.47 C ATOM 1338 CD1 LEU A 83 -1.096 5.290 -11.497 1.00 1.26 C ATOM 1339 CD2 LEU A 83 -1.012 2.813 -11.849 1.00 1.86 C ATOM 0 H LEU A 83 -3.630 4.213 -15.041 1.00 1.57 H new ATOM 0 HA LEU A 83 -3.189 2.065 -13.090 1.00 1.40 H new ATOM 0 HB2 LEU A 83 -3.384 5.085 -12.899 1.00 1.31 H new ATOM 0 HB3 LEU A 83 -3.465 4.062 -11.479 1.00 1.31 H new ATOM 0 HG LEU A 83 -1.113 4.284 -13.387 1.00 1.47 H new ATOM 0 HD11 LEU A 83 -0.008 5.303 -11.426 1.00 1.26 H new ATOM 0 HD12 LEU A 83 -1.443 6.233 -11.920 1.00 1.26 H new ATOM 0 HD13 LEU A 83 -1.523 5.159 -10.503 1.00 1.26 H new ATOM 0 HD21 LEU A 83 0.076 2.845 -11.788 1.00 1.86 H new ATOM 0 HD22 LEU A 83 -1.426 2.638 -10.856 1.00 1.86 H new ATOM 0 HD23 LEU A 83 -1.314 2.005 -12.515 1.00 1.86 H new ATOM 1351 N PRO A 84 -5.553 1.909 -12.231 1.00 1.33 N ATOM 1352 CA PRO A 84 -6.936 1.706 -11.814 1.00 1.29 C ATOM 1353 C PRO A 84 -7.274 2.548 -10.586 1.00 1.09 C ATOM 1354 O PRO A 84 -6.380 3.058 -9.906 1.00 1.15 O ATOM 1355 CB PRO A 84 -6.964 0.219 -11.459 1.00 1.58 C ATOM 1356 CG PRO A 84 -5.583 -0.083 -10.987 1.00 1.75 C ATOM 1357 CD PRO A 84 -4.661 0.870 -11.697 1.00 1.64 C ATOM 0 HA PRO A 84 -7.658 1.993 -12.579 1.00 1.29 H new ATOM 0 HB2 PRO A 84 -7.702 0.011 -10.684 1.00 1.58 H new ATOM 0 HB3 PRO A 84 -7.229 -0.390 -12.324 1.00 1.58 H new ATOM 0 HG2 PRO A 84 -5.508 0.040 -9.907 1.00 1.75 H new ATOM 0 HG3 PRO A 84 -5.316 -1.116 -11.209 1.00 1.75 H new ATOM 0 HD2 PRO A 84 -3.923 1.292 -11.015 1.00 1.64 H new ATOM 0 HD3 PRO A 84 -4.110 0.371 -12.494 1.00 1.64 H new ATOM 1365 N SER A 85 -8.549 2.667 -10.285 1.00 0.99 N ATOM 1366 CA SER A 85 -8.980 3.413 -9.118 1.00 0.88 C ATOM 1367 C SER A 85 -9.605 2.446 -8.134 1.00 0.63 C ATOM 1368 O SER A 85 -10.701 1.934 -8.357 1.00 0.82 O ATOM 1369 CB SER A 85 -9.957 4.513 -9.501 1.00 1.23 C ATOM 1370 OG SER A 85 -10.842 4.080 -10.520 1.00 1.43 O ATOM 0 H SER A 85 -9.307 2.257 -10.831 1.00 0.99 H new ATOM 0 HA SER A 85 -8.120 3.900 -8.657 1.00 0.88 H new ATOM 0 HB2 SER A 85 -10.529 4.817 -8.624 1.00 1.23 H new ATOM 0 HB3 SER A 85 -9.406 5.390 -9.842 1.00 1.23 H new ATOM 0 HG SER A 85 -11.172 3.182 -10.307 1.00 1.43 H new ATOM 1376 N PHE A 86 -8.886 2.161 -7.070 1.00 0.53 N ATOM 1377 CA PHE A 86 -9.356 1.217 -6.085 1.00 0.64 C ATOM 1378 C PHE A 86 -9.540 1.875 -4.729 1.00 0.57 C ATOM 1379 O PHE A 86 -8.971 2.932 -4.458 1.00 0.63 O ATOM 1380 CB PHE A 86 -8.383 0.023 -6.005 1.00 1.04 C ATOM 1381 CG PHE A 86 -7.106 0.238 -5.231 1.00 0.74 C ATOM 1382 CD1 PHE A 86 -7.124 0.260 -3.852 1.00 1.30 C ATOM 1383 CD2 PHE A 86 -5.886 0.367 -5.883 1.00 1.41 C ATOM 1384 CE1 PHE A 86 -5.962 0.403 -3.128 1.00 1.36 C ATOM 1385 CE2 PHE A 86 -4.715 0.520 -5.160 1.00 1.36 C ATOM 1386 CZ PHE A 86 -4.759 0.533 -3.778 1.00 0.75 C ATOM 0 H PHE A 86 -7.974 2.570 -6.867 1.00 0.53 H new ATOM 0 HA PHE A 86 -10.335 0.850 -6.392 1.00 0.64 H new ATOM 0 HB2 PHE A 86 -8.913 -0.818 -5.559 1.00 1.04 H new ATOM 0 HB3 PHE A 86 -8.119 -0.269 -7.021 1.00 1.04 H new ATOM 0 HD1 PHE A 86 -8.065 0.163 -3.332 1.00 1.30 H new ATOM 0 HD2 PHE A 86 -5.851 0.348 -6.962 1.00 1.41 H new ATOM 0 HE1 PHE A 86 -5.996 0.413 -2.049 1.00 1.36 H new ATOM 0 HE2 PHE A 86 -3.771 0.629 -5.673 1.00 1.36 H new ATOM 0 HZ PHE A 86 -3.848 0.645 -3.210 1.00 0.75 H new ATOM 1396 N ARG A 87 -10.311 1.232 -3.870 1.00 0.60 N ATOM 1397 CA ARG A 87 -10.541 1.735 -2.533 1.00 0.57 C ATOM 1398 C ARG A 87 -10.329 0.600 -1.555 1.00 0.57 C ATOM 1399 O ARG A 87 -10.869 -0.490 -1.732 1.00 0.79 O ATOM 1400 CB ARG A 87 -11.939 2.369 -2.381 1.00 0.68 C ATOM 1401 CG ARG A 87 -12.948 2.040 -3.487 1.00 1.18 C ATOM 1402 CD ARG A 87 -13.328 0.571 -3.514 1.00 1.24 C ATOM 1403 NE ARG A 87 -14.170 0.235 -4.668 1.00 1.36 N ATOM 1404 CZ ARG A 87 -15.478 0.487 -4.735 1.00 1.70 C ATOM 1405 NH1 ARG A 87 -16.154 0.695 -3.616 1.00 2.00 N ATOM 1406 NH2 ARG A 87 -16.146 0.179 -5.838 1.00 2.41 N ATOM 0 H ARG A 87 -10.790 0.356 -4.079 1.00 0.60 H new ATOM 0 HA ARG A 87 -9.832 2.536 -2.324 1.00 0.57 H new ATOM 0 HB2 ARG A 87 -12.359 2.051 -1.427 1.00 0.68 H new ATOM 0 HB3 ARG A 87 -11.822 3.452 -2.333 1.00 0.68 H new ATOM 0 HG2 ARG A 87 -13.846 2.641 -3.344 1.00 1.18 H new ATOM 0 HG3 ARG A 87 -12.527 2.320 -4.453 1.00 1.18 H new ATOM 0 HD2 ARG A 87 -12.423 -0.036 -3.538 1.00 1.24 H new ATOM 0 HD3 ARG A 87 -13.857 0.318 -2.595 1.00 1.24 H new ATOM 0 HE ARG A 87 -13.728 -0.219 -5.467 1.00 1.36 H new ATOM 0 HH11 ARG A 87 -15.674 0.662 -2.717 1.00 2.00 H new ATOM 0 HH12 ARG A 87 -17.155 0.889 -3.653 1.00 2.00 H new ATOM 0 HH21 ARG A 87 -15.659 -0.247 -6.627 1.00 2.41 H new ATOM 0 HH22 ARG A 87 -17.147 0.368 -5.898 1.00 2.41 H new ATOM 1420 N ILE A 88 -9.511 0.835 -0.543 1.00 0.52 N ATOM 1421 CA ILE A 88 -9.212 -0.201 0.420 1.00 0.54 C ATOM 1422 C ILE A 88 -9.543 0.185 1.840 1.00 0.59 C ATOM 1423 O ILE A 88 -9.242 1.287 2.303 1.00 0.68 O ATOM 1424 CB ILE A 88 -7.726 -0.628 0.396 1.00 0.59 C ATOM 1425 CG1 ILE A 88 -6.802 0.585 0.576 1.00 0.63 C ATOM 1426 CG2 ILE A 88 -7.408 -1.387 -0.875 1.00 0.65 C ATOM 1427 CD1 ILE A 88 -5.332 0.224 0.630 1.00 0.74 C ATOM 0 H ILE A 88 -9.048 1.727 -0.371 1.00 0.52 H new ATOM 0 HA ILE A 88 -9.849 -1.030 0.111 1.00 0.54 H new ATOM 0 HB ILE A 88 -7.549 -1.300 1.236 1.00 0.59 H new ATOM 0 HG12 ILE A 88 -6.967 1.282 -0.246 1.00 0.63 H new ATOM 0 HG13 ILE A 88 -7.074 1.105 1.494 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -6.358 -1.678 -0.872 1.00 0.65 H new ATOM 0 HG22 ILE A 88 -8.032 -2.279 -0.932 1.00 0.65 H new ATOM 0 HG23 ILE A 88 -7.605 -0.751 -1.738 1.00 0.65 H new ATOM 0 HD11 ILE A 88 -4.739 1.130 0.758 1.00 0.74 H new ATOM 0 HD12 ILE A 88 -5.153 -0.449 1.469 1.00 0.74 H new ATOM 0 HD13 ILE A 88 -5.044 -0.269 -0.298 1.00 0.74 H new ATOM 1439 N LYS A 89 -10.098 -0.783 2.538 1.00 0.62 N ATOM 1440 CA LYS A 89 -10.419 -0.669 3.936 1.00 0.74 C ATOM 1441 C LYS A 89 -9.850 -1.940 4.584 1.00 0.85 C ATOM 1442 O LYS A 89 -10.377 -3.038 4.414 1.00 0.96 O ATOM 1443 CB LYS A 89 -11.936 -0.498 4.160 1.00 0.95 C ATOM 1444 CG LYS A 89 -12.791 -1.699 3.816 1.00 1.31 C ATOM 1445 CD LYS A 89 -14.194 -1.526 4.358 1.00 1.68 C ATOM 1446 CE LYS A 89 -14.917 -2.846 4.454 1.00 1.89 C ATOM 1447 NZ LYS A 89 -16.199 -2.696 5.174 1.00 2.46 N ATOM 0 H LYS A 89 -10.342 -1.688 2.136 1.00 0.62 H new ATOM 0 HA LYS A 89 -9.983 0.222 4.389 1.00 0.74 H new ATOM 0 HB2 LYS A 89 -12.103 -0.244 5.207 1.00 0.95 H new ATOM 0 HB3 LYS A 89 -12.279 0.350 3.567 1.00 0.95 H new ATOM 0 HG2 LYS A 89 -12.827 -1.829 2.734 1.00 1.31 H new ATOM 0 HG3 LYS A 89 -12.343 -2.602 4.231 1.00 1.31 H new ATOM 0 HD2 LYS A 89 -14.150 -1.062 5.343 1.00 1.68 H new ATOM 0 HD3 LYS A 89 -14.754 -0.850 3.712 1.00 1.68 H new ATOM 0 HE2 LYS A 89 -15.101 -3.237 3.454 1.00 1.89 H new ATOM 0 HE3 LYS A 89 -14.289 -3.572 4.970 1.00 1.89 H new ATOM 0 HZ1 LYS A 89 -16.677 -3.618 5.227 1.00 2.46 H new ATOM 0 HZ2 LYS A 89 -16.018 -2.344 6.136 1.00 2.46 H new ATOM 0 HZ3 LYS A 89 -16.805 -2.020 4.667 1.00 2.46 H new ATOM 1461 N PRO A 90 -8.687 -1.814 5.246 1.00 1.06 N ATOM 1462 CA PRO A 90 -7.945 -2.951 5.846 1.00 1.30 C ATOM 1463 C PRO A 90 -8.657 -3.621 7.025 1.00 1.47 C ATOM 1464 O PRO A 90 -8.017 -4.244 7.874 1.00 1.94 O ATOM 1465 CB PRO A 90 -6.631 -2.316 6.318 1.00 1.59 C ATOM 1466 CG PRO A 90 -6.541 -1.019 5.591 1.00 1.77 C ATOM 1467 CD PRO A 90 -7.949 -0.556 5.382 1.00 1.29 C ATOM 0 HA PRO A 90 -7.828 -3.754 5.118 1.00 1.30 H new ATOM 0 HB2 PRO A 90 -6.633 -2.163 7.397 1.00 1.59 H new ATOM 0 HB3 PRO A 90 -5.779 -2.956 6.088 1.00 1.59 H new ATOM 0 HG2 PRO A 90 -5.973 -0.289 6.167 1.00 1.77 H new ATOM 0 HG3 PRO A 90 -6.027 -1.142 4.638 1.00 1.77 H new ATOM 0 HD2 PRO A 90 -8.309 0.036 6.224 1.00 1.29 H new ATOM 0 HD3 PRO A 90 -8.042 0.066 4.492 1.00 1.29 H new ATOM 1475 N LYS A 91 -9.970 -3.466 7.085 1.00 1.40 N ATOM 1476 CA LYS A 91 -10.761 -4.039 8.156 1.00 1.72 C ATOM 1477 C LYS A 91 -10.885 -5.532 7.975 1.00 2.02 C ATOM 1478 O LYS A 91 -11.916 -6.082 7.574 1.00 2.48 O ATOM 1479 CB LYS A 91 -12.113 -3.375 8.258 1.00 1.95 C ATOM 1480 CG LYS A 91 -12.878 -3.768 9.512 1.00 2.50 C ATOM 1481 CD LYS A 91 -14.158 -2.958 9.681 1.00 2.94 C ATOM 1482 CE LYS A 91 -14.786 -3.175 11.052 1.00 3.58 C ATOM 1483 NZ LYS A 91 -16.024 -2.382 11.234 1.00 4.13 N ATOM 0 H LYS A 91 -10.512 -2.943 6.397 1.00 1.40 H new ATOM 0 HA LYS A 91 -10.246 -3.855 9.099 1.00 1.72 H new ATOM 0 HB2 LYS A 91 -11.982 -2.293 8.244 1.00 1.95 H new ATOM 0 HB3 LYS A 91 -12.706 -3.635 7.381 1.00 1.95 H new ATOM 0 HG2 LYS A 91 -13.124 -4.829 9.468 1.00 2.50 H new ATOM 0 HG3 LYS A 91 -12.241 -3.624 10.385 1.00 2.50 H new ATOM 0 HD2 LYS A 91 -13.939 -1.899 9.545 1.00 2.94 H new ATOM 0 HD3 LYS A 91 -14.871 -3.238 8.906 1.00 2.94 H new ATOM 0 HE2 LYS A 91 -15.012 -4.233 11.182 1.00 3.58 H new ATOM 0 HE3 LYS A 91 -14.067 -2.905 11.826 1.00 3.58 H new ATOM 0 HZ1 LYS A 91 -16.415 -2.562 12.181 1.00 4.13 H new ATOM 0 HZ2 LYS A 91 -15.806 -1.370 11.136 1.00 4.13 H new ATOM 0 HZ3 LYS A 91 -16.721 -2.657 10.513 1.00 4.13 H new ATOM 1497 N ASP A 92 -9.787 -6.149 8.279 1.00 2.34 N ATOM 1498 CA ASP A 92 -9.609 -7.578 8.199 1.00 2.92 C ATOM 1499 C ASP A 92 -8.580 -7.972 9.243 1.00 2.79 C ATOM 1500 O ASP A 92 -7.409 -7.612 9.110 1.00 3.27 O ATOM 1501 CB ASP A 92 -9.131 -7.971 6.803 1.00 3.81 C ATOM 1502 CG ASP A 92 -9.301 -9.451 6.529 1.00 4.45 C ATOM 1503 OD1 ASP A 92 -10.459 -9.927 6.526 1.00 4.67 O ATOM 1504 OD2 ASP A 92 -8.293 -10.145 6.304 1.00 5.11 O ATOM 0 H ASP A 92 -8.953 -5.659 8.603 1.00 2.34 H new ATOM 0 HA ASP A 92 -10.552 -8.093 8.385 1.00 2.92 H new ATOM 0 HB2 ASP A 92 -9.686 -7.400 6.058 1.00 3.81 H new ATOM 0 HB3 ASP A 92 -8.080 -7.702 6.693 1.00 3.81 H new ATOM 1509 N PHE A 93 -9.047 -8.645 10.304 1.00 2.71 N ATOM 1510 CA PHE A 93 -8.208 -9.059 11.448 1.00 2.95 C ATOM 1511 C PHE A 93 -8.107 -7.916 12.455 1.00 3.05 C ATOM 1512 O PHE A 93 -8.218 -6.749 12.094 1.00 3.30 O ATOM 1513 CB PHE A 93 -6.786 -9.483 11.033 1.00 3.27 C ATOM 1514 CG PHE A 93 -6.694 -10.715 10.174 1.00 3.84 C ATOM 1515 CD1 PHE A 93 -7.806 -11.501 9.922 1.00 4.40 C ATOM 1516 CD2 PHE A 93 -5.473 -11.092 9.629 1.00 4.41 C ATOM 1517 CE1 PHE A 93 -7.707 -12.636 9.146 1.00 5.30 C ATOM 1518 CE2 PHE A 93 -5.370 -12.230 8.854 1.00 5.31 C ATOM 1519 CZ PHE A 93 -6.489 -13.004 8.612 1.00 5.69 C ATOM 0 H PHE A 93 -10.024 -8.922 10.397 1.00 2.71 H new ATOM 0 HA PHE A 93 -8.694 -9.928 11.891 1.00 2.95 H new ATOM 0 HB2 PHE A 93 -6.322 -8.655 10.498 1.00 3.27 H new ATOM 0 HB3 PHE A 93 -6.198 -9.648 11.936 1.00 3.27 H new ATOM 0 HD1 PHE A 93 -8.762 -11.221 10.339 1.00 4.40 H new ATOM 0 HD2 PHE A 93 -4.596 -10.489 9.813 1.00 4.41 H new ATOM 0 HE1 PHE A 93 -8.583 -13.238 8.956 1.00 5.30 H new ATOM 0 HE2 PHE A 93 -4.415 -12.515 8.437 1.00 5.31 H new ATOM 0 HZ PHE A 93 -6.410 -13.895 8.006 1.00 5.69 H new ATOM 1529 N GLU A 94 -7.891 -8.244 13.719 1.00 3.44 N ATOM 1530 CA GLU A 94 -7.773 -7.221 14.750 1.00 3.96 C ATOM 1531 C GLU A 94 -6.320 -6.880 15.019 1.00 3.75 C ATOM 1532 O GLU A 94 -6.003 -5.785 15.480 1.00 4.15 O ATOM 1533 CB GLU A 94 -8.440 -7.664 16.046 1.00 4.82 C ATOM 1534 CG GLU A 94 -9.940 -7.808 15.925 1.00 5.73 C ATOM 1535 CD GLU A 94 -10.589 -8.140 17.246 1.00 6.51 C ATOM 1536 OE1 GLU A 94 -10.340 -9.244 17.775 1.00 6.69 O ATOM 1537 OE2 GLU A 94 -11.335 -7.288 17.772 1.00 7.20 O ATOM 0 H GLU A 94 -7.794 -9.202 14.056 1.00 3.44 H new ATOM 0 HA GLU A 94 -8.282 -6.331 14.379 1.00 3.96 H new ATOM 0 HB2 GLU A 94 -8.014 -8.617 16.359 1.00 4.82 H new ATOM 0 HB3 GLU A 94 -8.213 -6.941 16.829 1.00 4.82 H new ATOM 0 HG2 GLU A 94 -10.362 -6.881 15.538 1.00 5.73 H new ATOM 0 HG3 GLU A 94 -10.171 -8.590 15.202 1.00 5.73 H new ATOM 1544 N THR A 95 -5.439 -7.824 14.733 1.00 3.56 N ATOM 1545 CA THR A 95 -4.009 -7.629 14.952 1.00 3.57 C ATOM 1546 C THR A 95 -3.473 -6.523 14.054 1.00 3.11 C ATOM 1547 O THR A 95 -2.404 -5.957 14.282 1.00 3.46 O ATOM 1548 CB THR A 95 -3.290 -8.950 14.664 1.00 4.37 C ATOM 1549 OG1 THR A 95 -4.131 -10.042 14.991 1.00 4.92 O ATOM 1550 CG2 THR A 95 -1.992 -9.139 15.425 1.00 4.79 C ATOM 0 H THR A 95 -5.686 -8.736 14.348 1.00 3.56 H new ATOM 0 HA THR A 95 -3.833 -7.329 15.985 1.00 3.57 H new ATOM 0 HB THR A 95 -3.051 -8.912 13.601 1.00 4.37 H new ATOM 0 HG1 THR A 95 -3.664 -10.883 14.802 1.00 4.92 H new ATOM 0 HG21 THR A 95 -1.552 -10.100 15.160 1.00 4.79 H new ATOM 0 HG22 THR A 95 -1.299 -8.339 15.166 1.00 4.79 H new ATOM 0 HG23 THR A 95 -2.191 -9.114 16.496 1.00 4.79 H new ATOM 1558 N SER A 96 -4.237 -6.244 13.031 1.00 2.83 N ATOM 1559 CA SER A 96 -3.904 -5.240 12.038 1.00 2.92 C ATOM 1560 C SER A 96 -4.670 -3.938 12.261 1.00 2.63 C ATOM 1561 O SER A 96 -4.509 -2.984 11.509 1.00 2.95 O ATOM 1562 CB SER A 96 -4.253 -5.821 10.679 1.00 3.49 C ATOM 1563 OG SER A 96 -5.463 -6.554 10.782 1.00 4.05 O ATOM 0 H SER A 96 -5.126 -6.713 12.856 1.00 2.83 H new ATOM 0 HA SER A 96 -2.844 -4.995 12.109 1.00 2.92 H new ATOM 0 HB2 SER A 96 -4.359 -5.022 9.945 1.00 3.49 H new ATOM 0 HB3 SER A 96 -3.449 -6.470 10.330 1.00 3.49 H new ATOM 0 HG SER A 96 -5.836 -6.698 9.887 1.00 4.05 H new ATOM 1569 N GLU A 97 -5.490 -3.891 13.304 1.00 2.52 N ATOM 1570 CA GLU A 97 -6.254 -2.683 13.597 1.00 2.71 C ATOM 1571 C GLU A 97 -5.343 -1.576 14.085 1.00 2.41 C ATOM 1572 O GLU A 97 -5.471 -0.419 13.681 1.00 2.64 O ATOM 1573 CB GLU A 97 -7.342 -2.951 14.636 1.00 3.26 C ATOM 1574 CG GLU A 97 -8.485 -3.783 14.094 1.00 3.93 C ATOM 1575 CD GLU A 97 -9.778 -3.579 14.853 1.00 4.42 C ATOM 1576 OE1 GLU A 97 -9.806 -3.801 16.083 1.00 4.75 O ATOM 1577 OE2 GLU A 97 -10.776 -3.182 14.212 1.00 4.86 O ATOM 0 H GLU A 97 -5.643 -4.663 13.953 1.00 2.52 H new ATOM 0 HA GLU A 97 -6.732 -2.368 12.670 1.00 2.71 H new ATOM 0 HB2 GLU A 97 -6.901 -3.462 15.492 1.00 3.26 H new ATOM 0 HB3 GLU A 97 -7.732 -2.000 14.999 1.00 3.26 H new ATOM 0 HG2 GLU A 97 -8.643 -3.533 13.045 1.00 3.93 H new ATOM 0 HG3 GLU A 97 -8.210 -4.837 14.133 1.00 3.93 H new ATOM 1584 N TYR A 98 -4.428 -1.954 14.965 1.00 2.15 N ATOM 1585 CA TYR A 98 -3.471 -1.032 15.557 1.00 1.95 C ATOM 1586 C TYR A 98 -2.651 -0.338 14.475 1.00 1.56 C ATOM 1587 O TYR A 98 -2.340 0.848 14.583 1.00 1.45 O ATOM 1588 CB TYR A 98 -2.575 -1.795 16.534 1.00 2.16 C ATOM 1589 CG TYR A 98 -3.362 -2.656 17.498 1.00 2.85 C ATOM 1590 CD1 TYR A 98 -4.296 -2.100 18.367 1.00 3.28 C ATOM 1591 CD2 TYR A 98 -3.189 -4.032 17.519 1.00 3.63 C ATOM 1592 CE1 TYR A 98 -5.033 -2.892 19.226 1.00 4.19 C ATOM 1593 CE2 TYR A 98 -3.919 -4.828 18.377 1.00 4.46 C ATOM 1594 CZ TYR A 98 -4.841 -4.256 19.227 1.00 4.66 C ATOM 1595 OH TYR A 98 -5.572 -5.053 20.077 1.00 5.65 O ATOM 0 H TYR A 98 -4.328 -2.916 15.290 1.00 2.15 H new ATOM 0 HA TYR A 98 -4.005 -0.255 16.105 1.00 1.95 H new ATOM 0 HB2 TYR A 98 -1.885 -2.424 15.972 1.00 2.16 H new ATOM 0 HB3 TYR A 98 -1.971 -1.084 17.098 1.00 2.16 H new ATOM 0 HD1 TYR A 98 -4.447 -1.031 18.370 1.00 3.28 H new ATOM 0 HD2 TYR A 98 -2.471 -4.488 16.853 1.00 3.63 H new ATOM 0 HE1 TYR A 98 -5.755 -2.444 19.893 1.00 4.19 H new ATOM 0 HE2 TYR A 98 -3.768 -5.897 18.383 1.00 4.46 H new ATOM 0 HH TYR A 98 -5.314 -5.990 19.949 1.00 5.65 H new ATOM 1605 N VAL A 99 -2.329 -1.072 13.420 1.00 1.54 N ATOM 1606 CA VAL A 99 -1.585 -0.506 12.308 1.00 1.34 C ATOM 1607 C VAL A 99 -2.516 0.360 11.473 1.00 1.17 C ATOM 1608 O VAL A 99 -2.291 1.559 11.316 1.00 1.04 O ATOM 1609 CB VAL A 99 -0.976 -1.601 11.405 1.00 1.65 C ATOM 1610 CG1 VAL A 99 -0.146 -0.988 10.283 1.00 1.76 C ATOM 1611 CG2 VAL A 99 -0.144 -2.562 12.238 1.00 1.91 C ATOM 0 H VAL A 99 -2.571 -2.057 13.312 1.00 1.54 H new ATOM 0 HA VAL A 99 -0.768 0.086 12.720 1.00 1.34 H new ATOM 0 HB VAL A 99 -1.790 -2.159 10.942 1.00 1.65 H new ATOM 0 HG11 VAL A 99 0.271 -1.782 9.663 1.00 1.76 H new ATOM 0 HG12 VAL A 99 -0.779 -0.345 9.672 1.00 1.76 H new ATOM 0 HG13 VAL A 99 0.665 -0.398 10.711 1.00 1.76 H new ATOM 0 HG21 VAL A 99 0.281 -3.330 11.592 1.00 1.91 H new ATOM 0 HG22 VAL A 99 0.661 -2.015 12.729 1.00 1.91 H new ATOM 0 HG23 VAL A 99 -0.776 -3.031 12.992 1.00 1.91 H new ATOM 1621 N ARG A 100 -3.548 -0.286 10.939 1.00 1.36 N ATOM 1622 CA ARG A 100 -4.554 0.344 10.080 1.00 1.42 C ATOM 1623 C ARG A 100 -5.043 1.692 10.598 1.00 1.31 C ATOM 1624 O ARG A 100 -5.081 2.673 9.857 1.00 1.31 O ATOM 1625 CB ARG A 100 -5.749 -0.601 9.930 1.00 1.78 C ATOM 1626 CG ARG A 100 -6.860 -0.078 9.040 1.00 2.37 C ATOM 1627 CD ARG A 100 -8.086 -0.979 9.114 1.00 3.01 C ATOM 1628 NE ARG A 100 -8.809 -0.869 10.386 1.00 3.48 N ATOM 1629 CZ ARG A 100 -9.499 -1.877 10.939 1.00 4.17 C ATOM 1630 NH1 ARG A 100 -9.121 -3.131 10.697 1.00 4.49 N ATOM 1631 NH2 ARG A 100 -10.259 -1.635 12.004 1.00 4.93 N ATOM 0 H ARG A 100 -3.715 -1.281 11.092 1.00 1.36 H new ATOM 0 HA ARG A 100 -4.073 0.533 9.120 1.00 1.42 H new ATOM 0 HB2 ARG A 100 -5.396 -1.551 9.528 1.00 1.78 H new ATOM 0 HB3 ARG A 100 -6.160 -0.806 10.919 1.00 1.78 H new ATOM 0 HG2 ARG A 100 -7.129 0.934 9.344 1.00 2.37 H new ATOM 0 HG3 ARG A 100 -6.509 -0.019 8.010 1.00 2.37 H new ATOM 0 HD2 ARG A 100 -8.762 -0.729 8.296 1.00 3.01 H new ATOM 0 HD3 ARG A 100 -7.777 -2.014 8.967 1.00 3.01 H new ATOM 0 HE ARG A 100 -8.785 0.025 10.877 1.00 3.48 H new ATOM 0 HH11 ARG A 100 -8.316 -3.314 10.098 1.00 4.49 H new ATOM 0 HH12 ARG A 100 -9.636 -3.908 11.111 1.00 4.49 H new ATOM 0 HH21 ARG A 100 -10.311 -0.692 12.390 1.00 4.93 H new ATOM 0 HH22 ARG A 100 -10.789 -2.392 12.435 1.00 4.93 H new ATOM 1645 N LYS A 101 -5.444 1.731 11.855 1.00 1.34 N ATOM 1646 CA LYS A 101 -5.973 2.948 12.453 1.00 1.43 C ATOM 1647 C LYS A 101 -4.938 4.060 12.548 1.00 1.27 C ATOM 1648 O LYS A 101 -5.286 5.235 12.666 1.00 1.40 O ATOM 1649 CB LYS A 101 -6.532 2.627 13.826 1.00 1.68 C ATOM 1650 CG LYS A 101 -7.889 1.962 13.758 1.00 2.35 C ATOM 1651 CD LYS A 101 -8.300 1.420 15.110 1.00 2.61 C ATOM 1652 CE LYS A 101 -9.580 0.600 15.033 1.00 2.79 C ATOM 1653 NZ LYS A 101 -10.721 1.387 14.493 1.00 3.24 N ATOM 0 H LYS A 101 -5.414 0.931 12.487 1.00 1.34 H new ATOM 0 HA LYS A 101 -6.763 3.320 11.801 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -5.837 1.974 14.354 1.00 1.68 H new ATOM 0 HB3 LYS A 101 -6.610 3.546 14.407 1.00 1.68 H new ATOM 0 HG2 LYS A 101 -8.632 2.680 13.410 1.00 2.35 H new ATOM 0 HG3 LYS A 101 -7.864 1.151 13.030 1.00 2.35 H new ATOM 0 HD2 LYS A 101 -7.497 0.801 15.511 1.00 2.61 H new ATOM 0 HD3 LYS A 101 -8.442 2.248 15.804 1.00 2.61 H new ATOM 0 HE2 LYS A 101 -9.413 -0.273 14.402 1.00 2.79 H new ATOM 0 HE3 LYS A 101 -9.833 0.231 16.027 1.00 2.79 H new ATOM 0 HZ1 LYS A 101 -11.613 1.012 14.875 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -10.617 2.384 14.771 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -10.732 1.316 13.455 1.00 3.24 H new ATOM 1667 N ALA A 102 -3.680 3.692 12.502 1.00 1.11 N ATOM 1668 CA ALA A 102 -2.605 4.667 12.590 1.00 1.11 C ATOM 1669 C ALA A 102 -2.033 5.014 11.221 1.00 0.99 C ATOM 1670 O ALA A 102 -2.019 6.181 10.822 1.00 1.28 O ATOM 1671 CB ALA A 102 -1.503 4.138 13.495 1.00 1.22 C ATOM 0 H ALA A 102 -3.369 2.725 12.404 1.00 1.11 H new ATOM 0 HA ALA A 102 -3.022 5.582 13.011 1.00 1.11 H new ATOM 0 HB1 ALA A 102 -0.700 4.872 13.558 1.00 1.22 H new ATOM 0 HB2 ALA A 102 -1.906 3.956 14.491 1.00 1.22 H new ATOM 0 HB3 ALA A 102 -1.112 3.207 13.086 1.00 1.22 H new ATOM 1677 N TRP A 103 -1.500 4.010 10.540 1.00 0.97 N ATOM 1678 CA TRP A 103 -0.847 4.189 9.249 1.00 1.01 C ATOM 1679 C TRP A 103 -1.732 4.870 8.197 1.00 0.93 C ATOM 1680 O TRP A 103 -1.219 5.370 7.207 1.00 1.00 O ATOM 1681 CB TRP A 103 -0.279 2.852 8.760 1.00 1.40 C ATOM 1682 CG TRP A 103 -1.152 2.057 7.849 1.00 0.71 C ATOM 1683 CD1 TRP A 103 -2.413 1.606 8.079 1.00 0.69 C ATOM 1684 CD2 TRP A 103 -0.780 1.584 6.560 1.00 0.61 C ATOM 1685 NE1 TRP A 103 -2.862 0.906 6.982 1.00 1.16 N ATOM 1686 CE2 TRP A 103 -1.870 0.883 6.036 1.00 0.92 C ATOM 1687 CE3 TRP A 103 0.376 1.702 5.795 1.00 0.89 C ATOM 1688 CZ2 TRP A 103 -1.832 0.301 4.774 1.00 1.30 C ATOM 1689 CZ3 TRP A 103 0.411 1.119 4.552 1.00 0.73 C ATOM 1690 CH2 TRP A 103 -0.688 0.432 4.053 1.00 0.98 C ATOM 0 H TRP A 103 -1.508 3.044 10.868 1.00 0.97 H new ATOM 0 HA TRP A 103 -0.021 4.885 9.399 1.00 1.01 H new ATOM 0 HB2 TRP A 103 0.663 3.047 8.247 1.00 1.40 H new ATOM 0 HB3 TRP A 103 -0.046 2.240 9.631 1.00 1.40 H new ATOM 0 HD1 TRP A 103 -2.977 1.772 8.985 1.00 0.69 H new ATOM 0 HE1 TRP A 103 -3.782 0.475 6.888 1.00 1.16 H new ATOM 0 HE3 TRP A 103 1.231 2.243 6.172 1.00 0.89 H new ATOM 0 HZ2 TRP A 103 -2.682 -0.236 4.381 1.00 1.30 H new ATOM 0 HZ3 TRP A 103 1.307 1.196 3.954 1.00 0.73 H new ATOM 0 HH2 TRP A 103 -0.632 -0.009 3.069 1.00 0.98 H new ATOM 1701 N LEU A 104 -3.041 4.943 8.433 1.00 0.95 N ATOM 1702 CA LEU A 104 -3.941 5.639 7.504 1.00 1.12 C ATOM 1703 C LEU A 104 -3.549 7.116 7.508 1.00 1.10 C ATOM 1704 O LEU A 104 -3.341 7.731 6.467 1.00 1.40 O ATOM 1705 CB LEU A 104 -5.408 5.445 7.908 1.00 1.35 C ATOM 1706 CG LEU A 104 -6.193 4.436 7.064 1.00 1.47 C ATOM 1707 CD1 LEU A 104 -5.317 3.259 6.661 1.00 1.69 C ATOM 1708 CD2 LEU A 104 -7.410 3.954 7.842 1.00 2.27 C ATOM 0 H LEU A 104 -3.501 4.536 9.247 1.00 0.95 H new ATOM 0 HA LEU A 104 -3.844 5.229 6.499 1.00 1.12 H new ATOM 0 HB2 LEU A 104 -5.441 5.126 8.950 1.00 1.35 H new ATOM 0 HB3 LEU A 104 -5.913 6.409 7.854 1.00 1.35 H new ATOM 0 HG LEU A 104 -6.524 4.930 6.151 1.00 1.47 H new ATOM 0 HD11 LEU A 104 -5.901 2.559 6.063 1.00 1.69 H new ATOM 0 HD12 LEU A 104 -4.471 3.619 6.076 1.00 1.69 H new ATOM 0 HD13 LEU A 104 -4.951 2.755 7.555 1.00 1.69 H new ATOM 0 HD21 LEU A 104 -7.966 3.236 7.239 1.00 2.27 H new ATOM 0 HD22 LEU A 104 -7.085 3.477 8.766 1.00 2.27 H new ATOM 0 HD23 LEU A 104 -8.051 4.804 8.078 1.00 2.27 H new ATOM 1720 N ARG A 105 -3.412 7.649 8.712 1.00 1.01 N ATOM 1721 CA ARG A 105 -2.983 9.035 8.902 1.00 1.18 C ATOM 1722 C ARG A 105 -1.572 9.176 8.363 1.00 1.08 C ATOM 1723 O ARG A 105 -1.213 10.212 7.798 1.00 1.21 O ATOM 1724 CB ARG A 105 -3.058 9.439 10.380 1.00 1.38 C ATOM 1725 CG ARG A 105 -4.280 10.283 10.699 1.00 2.01 C ATOM 1726 CD ARG A 105 -4.429 10.536 12.192 1.00 2.29 C ATOM 1727 NE ARG A 105 -4.782 9.330 12.929 1.00 2.86 N ATOM 1728 CZ ARG A 105 -5.965 8.730 12.842 1.00 3.68 C ATOM 1729 NH1 ARG A 105 -6.871 9.142 11.965 1.00 4.09 N ATOM 1730 NH2 ARG A 105 -6.219 7.681 13.593 1.00 4.52 N ATOM 0 H ARG A 105 -3.592 7.144 9.580 1.00 1.01 H new ATOM 0 HA ARG A 105 -3.650 9.705 8.360 1.00 1.18 H new ATOM 0 HB2 ARG A 105 -3.072 8.541 10.997 1.00 1.38 H new ATOM 0 HB3 ARG A 105 -2.159 9.995 10.646 1.00 1.38 H new ATOM 0 HG2 ARG A 105 -4.208 11.237 10.176 1.00 2.01 H new ATOM 0 HG3 ARG A 105 -5.173 9.782 10.326 1.00 2.01 H new ATOM 0 HD2 ARG A 105 -3.495 10.937 12.584 1.00 2.29 H new ATOM 0 HD3 ARG A 105 -5.195 11.294 12.354 1.00 2.29 H new ATOM 0 HE ARG A 105 -4.081 8.922 13.548 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -6.663 9.927 11.348 1.00 4.09 H new ATOM 0 HH12 ARG A 105 -7.775 8.674 11.908 1.00 4.09 H new ATOM 0 HH21 ARG A 105 -5.510 7.332 14.238 1.00 4.52 H new ATOM 0 HH22 ARG A 105 -7.125 7.216 13.531 1.00 4.52 H new ATOM 1744 N ASP A 106 -0.792 8.113 8.490 1.00 0.95 N ATOM 1745 CA ASP A 106 0.564 8.103 7.963 1.00 0.99 C ATOM 1746 C ASP A 106 0.556 7.978 6.438 1.00 0.96 C ATOM 1747 O ASP A 106 1.577 8.173 5.804 1.00 1.17 O ATOM 1748 CB ASP A 106 1.412 6.991 8.584 1.00 1.09 C ATOM 1749 CG ASP A 106 1.970 7.371 9.941 1.00 1.46 C ATOM 1750 OD1 ASP A 106 1.766 8.523 10.377 1.00 1.76 O ATOM 1751 OD2 ASP A 106 2.632 6.523 10.572 1.00 2.18 O ATOM 0 H ASP A 106 -1.074 7.248 8.952 1.00 0.95 H new ATOM 0 HA ASP A 106 1.019 9.055 8.235 1.00 0.99 H new ATOM 0 HB2 ASP A 106 0.806 6.090 8.684 1.00 1.09 H new ATOM 0 HB3 ASP A 106 2.235 6.749 7.912 1.00 1.09 H new ATOM 1756 N ILE A 107 -0.612 7.705 5.858 1.00 0.92 N ATOM 1757 CA ILE A 107 -0.748 7.604 4.407 1.00 1.04 C ATOM 1758 C ILE A 107 -0.745 9.008 3.823 1.00 1.23 C ATOM 1759 O ILE A 107 -0.230 9.256 2.732 1.00 1.43 O ATOM 1760 CB ILE A 107 -2.056 6.859 4.000 1.00 1.06 C ATOM 1761 CG1 ILE A 107 -1.738 5.496 3.375 1.00 1.18 C ATOM 1762 CG2 ILE A 107 -2.915 7.685 3.039 1.00 1.23 C ATOM 1763 CD1 ILE A 107 -1.142 4.492 4.344 1.00 1.45 C ATOM 0 H ILE A 107 -1.479 7.550 6.373 1.00 0.92 H new ATOM 0 HA ILE A 107 0.088 7.025 4.015 1.00 1.04 H new ATOM 0 HB ILE A 107 -2.629 6.708 4.915 1.00 1.06 H new ATOM 0 HG12 ILE A 107 -2.653 5.079 2.954 1.00 1.18 H new ATOM 0 HG13 ILE A 107 -1.044 5.641 2.547 1.00 1.18 H new ATOM 0 HG21 ILE A 107 -3.815 7.126 2.783 1.00 1.23 H new ATOM 0 HG22 ILE A 107 -3.195 8.624 3.516 1.00 1.23 H new ATOM 0 HG23 ILE A 107 -2.348 7.894 2.132 1.00 1.23 H new ATOM 0 HD11 ILE A 107 -0.947 3.555 3.823 1.00 1.45 H new ATOM 0 HD12 ILE A 107 -0.208 4.885 4.746 1.00 1.45 H new ATOM 0 HD13 ILE A 107 -1.842 4.314 5.160 1.00 1.45 H new ATOM 1775 N ALA A 108 -1.314 9.924 4.593 1.00 1.25 N ATOM 1776 CA ALA A 108 -1.399 11.315 4.211 1.00 1.52 C ATOM 1777 C ALA A 108 -0.026 11.970 4.257 1.00 1.59 C ATOM 1778 O ALA A 108 0.378 12.678 3.335 1.00 1.92 O ATOM 1779 CB ALA A 108 -2.383 12.027 5.137 1.00 1.62 C ATOM 0 H ALA A 108 -1.729 9.717 5.501 1.00 1.25 H new ATOM 0 HA ALA A 108 -1.760 11.390 3.185 1.00 1.52 H new ATOM 0 HB1 ALA A 108 -2.453 13.078 4.855 1.00 1.62 H new ATOM 0 HB2 ALA A 108 -3.365 11.562 5.051 1.00 1.62 H new ATOM 0 HB3 ALA A 108 -2.034 11.950 6.167 1.00 1.62 H new ATOM 1785 N GLU A 109 0.675 11.740 5.353 1.00 1.39 N ATOM 1786 CA GLU A 109 1.994 12.313 5.557 1.00 1.50 C ATOM 1787 C GLU A 109 3.108 11.516 4.856 1.00 1.43 C ATOM 1788 O GLU A 109 4.287 11.810 5.052 1.00 1.70 O ATOM 1789 CB GLU A 109 2.266 12.410 7.059 1.00 1.69 C ATOM 1790 CG GLU A 109 1.121 13.044 7.845 1.00 1.73 C ATOM 1791 CD GLU A 109 1.508 13.363 9.271 1.00 2.07 C ATOM 1792 OE1 GLU A 109 1.816 12.427 10.026 1.00 2.40 O ATOM 1793 OE2 GLU A 109 1.519 14.558 9.640 1.00 2.56 O ATOM 0 H GLU A 109 0.349 11.155 6.122 1.00 1.39 H new ATOM 0 HA GLU A 109 2.001 13.305 5.106 1.00 1.50 H new ATOM 0 HB2 GLU A 109 2.456 11.411 7.451 1.00 1.69 H new ATOM 0 HB3 GLU A 109 3.173 12.993 7.219 1.00 1.69 H new ATOM 0 HG2 GLU A 109 0.803 13.959 7.344 1.00 1.73 H new ATOM 0 HG3 GLU A 109 0.266 12.368 7.846 1.00 1.73 H new ATOM 1800 N GLU A 110 2.757 10.506 4.059 1.00 1.49 N ATOM 1801 CA GLU A 110 3.784 9.706 3.391 1.00 1.63 C ATOM 1802 C GLU A 110 4.571 10.488 2.343 1.00 1.78 C ATOM 1803 O GLU A 110 4.243 11.625 2.006 1.00 2.20 O ATOM 1804 CB GLU A 110 3.240 8.414 2.795 1.00 2.09 C ATOM 1805 CG GLU A 110 3.388 7.215 3.730 1.00 2.83 C ATOM 1806 CD GLU A 110 4.636 7.302 4.614 1.00 3.38 C ATOM 1807 OE1 GLU A 110 4.649 8.099 5.576 1.00 3.86 O ATOM 1808 OE2 GLU A 110 5.622 6.597 4.336 1.00 3.86 O ATOM 0 H GLU A 110 1.796 10.227 3.863 1.00 1.49 H new ATOM 0 HA GLU A 110 4.479 9.436 4.186 1.00 1.63 H new ATOM 0 HB2 GLU A 110 2.186 8.549 2.551 1.00 2.09 H new ATOM 0 HB3 GLU A 110 3.760 8.205 1.860 1.00 2.09 H new ATOM 0 HG2 GLU A 110 2.504 7.143 4.364 1.00 2.83 H new ATOM 0 HG3 GLU A 110 3.431 6.301 3.137 1.00 2.83 H new ATOM 1815 N GLN A 111 5.647 9.855 1.884 1.00 1.93 N ATOM 1816 CA GLN A 111 6.588 10.420 0.917 1.00 2.44 C ATOM 1817 C GLN A 111 6.035 10.668 -0.481 1.00 2.84 C ATOM 1818 O GLN A 111 6.704 10.335 -1.462 1.00 3.22 O ATOM 1819 CB GLN A 111 7.817 9.526 0.825 1.00 2.97 C ATOM 1820 CG GLN A 111 8.683 9.569 2.075 1.00 3.66 C ATOM 1821 CD GLN A 111 8.276 8.550 3.126 1.00 4.54 C ATOM 1822 OE1 GLN A 111 8.646 8.669 4.292 1.00 5.12 O ATOM 1823 NE2 GLN A 111 7.559 7.515 2.715 1.00 5.02 N ATOM 0 H GLN A 111 5.896 8.911 2.181 1.00 1.93 H new ATOM 0 HA GLN A 111 6.831 11.410 1.304 1.00 2.44 H new ATOM 0 HB2 GLN A 111 7.499 8.499 0.646 1.00 2.97 H new ATOM 0 HB3 GLN A 111 8.415 9.829 -0.034 1.00 2.97 H new ATOM 0 HG2 GLN A 111 9.722 9.396 1.794 1.00 3.66 H new ATOM 0 HG3 GLN A 111 8.632 10.568 2.509 1.00 3.66 H new ATOM 0 HE21 GLN A 111 7.270 7.450 1.739 1.00 5.02 H new ATOM 0 HE22 GLN A 111 7.296 6.783 3.375 1.00 5.02 H new ATOM 1832 N GLU A 112 4.881 11.325 -0.592 1.00 3.29 N ATOM 1833 CA GLU A 112 4.370 11.683 -1.910 1.00 4.12 C ATOM 1834 C GLU A 112 5.425 12.615 -2.478 1.00 4.19 C ATOM 1835 O GLU A 112 5.982 12.399 -3.557 1.00 4.69 O ATOM 1836 CB GLU A 112 3.007 12.378 -1.830 1.00 5.03 C ATOM 1837 CG GLU A 112 1.874 11.480 -1.356 1.00 5.36 C ATOM 1838 CD GLU A 112 0.537 12.195 -1.349 1.00 6.31 C ATOM 1839 OE1 GLU A 112 0.062 12.607 -2.432 1.00 6.81 O ATOM 1840 OE2 GLU A 112 -0.033 12.377 -0.258 1.00 6.83 O ATOM 0 H GLU A 112 4.297 11.613 0.193 1.00 3.29 H new ATOM 0 HA GLU A 112 4.203 10.804 -2.532 1.00 4.12 H new ATOM 0 HB2 GLU A 112 3.086 13.231 -1.155 1.00 5.03 H new ATOM 0 HB3 GLU A 112 2.755 12.773 -2.814 1.00 5.03 H new ATOM 0 HG2 GLU A 112 1.812 10.605 -2.003 1.00 5.36 H new ATOM 0 HG3 GLU A 112 2.096 11.119 -0.352 1.00 5.36 H new ATOM 1847 N LYS A 113 5.760 13.589 -1.643 1.00 3.97 N ATOM 1848 CA LYS A 113 6.829 14.523 -1.899 1.00 4.36 C ATOM 1849 C LYS A 113 8.127 13.844 -1.456 1.00 4.15 C ATOM 1850 O LYS A 113 8.370 13.700 -0.257 1.00 4.65 O ATOM 1851 CB LYS A 113 6.596 15.807 -1.101 1.00 4.79 C ATOM 1852 CG LYS A 113 5.617 16.768 -1.763 1.00 5.55 C ATOM 1853 CD LYS A 113 4.179 16.281 -1.704 1.00 5.63 C ATOM 1854 CE LYS A 113 3.532 16.567 -0.358 1.00 6.48 C ATOM 1855 NZ LYS A 113 2.091 16.214 -0.351 1.00 7.06 N ATOM 0 H LYS A 113 5.283 13.748 -0.755 1.00 3.97 H new ATOM 0 HA LYS A 113 6.877 14.792 -2.954 1.00 4.36 H new ATOM 0 HB2 LYS A 113 6.223 15.546 -0.111 1.00 4.79 H new ATOM 0 HB3 LYS A 113 7.550 16.314 -0.959 1.00 4.79 H new ATOM 0 HG2 LYS A 113 5.686 17.741 -1.277 1.00 5.55 H new ATOM 0 HG3 LYS A 113 5.904 16.911 -2.805 1.00 5.55 H new ATOM 0 HD2 LYS A 113 3.601 16.763 -2.493 1.00 5.63 H new ATOM 0 HD3 LYS A 113 4.152 15.209 -1.898 1.00 5.63 H new ATOM 0 HE2 LYS A 113 4.048 16.004 0.420 1.00 6.48 H new ATOM 0 HE3 LYS A 113 3.648 17.624 -0.116 1.00 6.48 H new ATOM 0 HZ1 LYS A 113 1.687 16.424 0.584 1.00 7.06 H new ATOM 0 HZ2 LYS A 113 1.594 16.770 -1.076 1.00 7.06 H new ATOM 0 HZ3 LYS A 113 1.981 15.200 -0.556 1.00 7.06 H new ATOM 1869 N TYR A 114 8.936 13.392 -2.405 1.00 3.80 N ATOM 1870 CA TYR A 114 10.185 12.690 -2.090 1.00 4.21 C ATOM 1871 C TYR A 114 11.170 13.585 -1.333 1.00 4.57 C ATOM 1872 O TYR A 114 12.183 13.113 -0.814 1.00 5.17 O ATOM 1873 CB TYR A 114 10.803 12.118 -3.369 1.00 4.58 C ATOM 1874 CG TYR A 114 12.035 11.254 -3.148 1.00 5.45 C ATOM 1875 CD1 TYR A 114 11.994 10.167 -2.287 1.00 5.90 C ATOM 1876 CD2 TYR A 114 13.234 11.520 -3.802 1.00 6.18 C ATOM 1877 CE1 TYR A 114 13.104 9.370 -2.079 1.00 6.94 C ATOM 1878 CE2 TYR A 114 14.350 10.727 -3.600 1.00 7.17 C ATOM 1879 CZ TYR A 114 14.280 9.654 -2.739 1.00 7.49 C ATOM 1880 OH TYR A 114 15.393 8.862 -2.540 1.00 8.62 O ATOM 0 H TYR A 114 8.754 13.497 -3.403 1.00 3.80 H new ATOM 0 HA TYR A 114 9.950 11.861 -1.422 1.00 4.21 H new ATOM 0 HB2 TYR A 114 10.049 11.526 -3.887 1.00 4.58 H new ATOM 0 HB3 TYR A 114 11.069 12.944 -4.029 1.00 4.58 H new ATOM 0 HD1 TYR A 114 11.075 9.939 -1.768 1.00 5.90 H new ATOM 0 HD2 TYR A 114 13.295 12.360 -4.479 1.00 6.18 H new ATOM 0 HE1 TYR A 114 13.050 8.529 -1.403 1.00 6.94 H new ATOM 0 HE2 TYR A 114 15.273 10.949 -4.116 1.00 7.17 H new ATOM 0 HH TYR A 114 16.052 9.041 -3.243 1.00 8.62 H new ATOM 1890 N ALA A 115 10.842 14.868 -1.233 1.00 4.51 N ATOM 1891 CA ALA A 115 11.670 15.818 -0.503 1.00 5.16 C ATOM 1892 C ALA A 115 11.732 15.433 0.971 1.00 5.46 C ATOM 1893 O ALA A 115 12.682 15.770 1.669 1.00 5.73 O ATOM 1894 CB ALA A 115 11.123 17.230 -0.640 1.00 5.63 C ATOM 0 H ALA A 115 10.005 15.275 -1.650 1.00 4.51 H new ATOM 0 HA ALA A 115 12.674 15.791 -0.927 1.00 5.16 H new ATOM 0 HB1 ALA A 115 11.758 17.922 -0.086 1.00 5.63 H new ATOM 0 HB2 ALA A 115 11.108 17.514 -1.692 1.00 5.63 H new ATOM 0 HB3 ALA A 115 10.110 17.268 -0.240 1.00 5.63 H new ATOM 1900 N ALA A 116 10.710 14.718 1.437 1.00 5.86 N ATOM 1901 CA ALA A 116 10.648 14.282 2.827 1.00 6.58 C ATOM 1902 C ALA A 116 11.591 13.110 3.084 1.00 7.22 C ATOM 1903 O ALA A 116 12.000 12.864 4.219 1.00 7.70 O ATOM 1904 CB ALA A 116 9.227 13.899 3.207 1.00 7.03 C ATOM 0 H ALA A 116 9.913 14.429 0.870 1.00 5.86 H new ATOM 0 HA ALA A 116 10.967 15.119 3.448 1.00 6.58 H new ATOM 0 HB1 ALA A 116 9.203 13.577 4.248 1.00 7.03 H new ATOM 0 HB2 ALA A 116 8.571 14.760 3.079 1.00 7.03 H new ATOM 0 HB3 ALA A 116 8.886 13.085 2.567 1.00 7.03 H new ATOM 1910 N GLU A 117 11.941 12.390 2.029 1.00 7.53 N ATOM 1911 CA GLU A 117 12.836 11.250 2.155 1.00 8.41 C ATOM 1912 C GLU A 117 14.232 11.633 1.685 1.00 9.09 C ATOM 1913 O GLU A 117 14.802 11.010 0.789 1.00 9.58 O ATOM 1914 CB GLU A 117 12.304 10.065 1.342 1.00 8.83 C ATOM 1915 CG GLU A 117 12.464 8.713 2.034 1.00 9.18 C ATOM 1916 CD GLU A 117 13.907 8.324 2.290 1.00 9.82 C ATOM 1917 OE1 GLU A 117 14.570 8.982 3.111 1.00 10.40 O ATOM 1918 OE2 GLU A 117 14.383 7.350 1.675 1.00 9.94 O ATOM 0 H GLU A 117 11.620 12.574 1.079 1.00 7.53 H new ATOM 0 HA GLU A 117 12.887 10.954 3.203 1.00 8.41 H new ATOM 0 HB2 GLU A 117 11.248 10.229 1.129 1.00 8.83 H new ATOM 0 HB3 GLU A 117 12.822 10.034 0.383 1.00 8.83 H new ATOM 0 HG2 GLU A 117 11.930 8.736 2.984 1.00 9.18 H new ATOM 0 HG3 GLU A 117 11.993 7.944 1.422 1.00 9.18 H new ATOM 1925 N ARG A 118 14.773 12.677 2.286 1.00 9.35 N ATOM 1926 CA ARG A 118 16.097 13.155 1.925 1.00 10.23 C ATOM 1927 C ARG A 118 16.988 13.268 3.153 1.00 10.76 C ATOM 1928 O ARG A 118 17.973 12.541 3.282 1.00 11.00 O ATOM 1929 CB ARG A 118 15.986 14.493 1.201 1.00 10.61 C ATOM 1930 CG ARG A 118 15.388 14.370 -0.191 1.00 11.18 C ATOM 1931 CD ARG A 118 16.367 13.736 -1.165 1.00 11.87 C ATOM 1932 NE ARG A 118 16.526 12.296 -0.968 1.00 12.16 N ATOM 1933 CZ ARG A 118 17.402 11.563 -1.644 1.00 12.66 C ATOM 1934 NH1 ARG A 118 18.089 12.108 -2.632 1.00 12.91 N ATOM 1935 NH2 ARG A 118 17.507 10.264 -1.416 1.00 13.09 N ATOM 0 H ARG A 118 14.317 13.211 3.026 1.00 9.35 H new ATOM 0 HA ARG A 118 16.559 12.433 1.251 1.00 10.23 H new ATOM 0 HB2 ARG A 118 15.373 15.171 1.795 1.00 10.61 H new ATOM 0 HB3 ARG A 118 16.976 14.942 1.126 1.00 10.61 H new ATOM 0 HG2 ARG A 118 14.479 13.770 -0.146 1.00 11.18 H new ATOM 0 HG3 ARG A 118 15.101 15.357 -0.553 1.00 11.18 H new ATOM 0 HD2 ARG A 118 16.027 13.921 -2.184 1.00 11.87 H new ATOM 0 HD3 ARG A 118 17.338 14.220 -1.060 1.00 11.87 H new ATOM 0 HE ARG A 118 15.935 11.832 -0.278 1.00 12.16 H new ATOM 0 HH11 ARG A 118 17.945 13.089 -2.873 1.00 12.91 H new ATOM 0 HH12 ARG A 118 18.763 11.548 -3.154 1.00 12.91 H new ATOM 0 HH21 ARG A 118 16.912 9.819 -0.717 1.00 13.09 H new ATOM 0 HH22 ARG A 118 18.183 9.707 -1.940 1.00 13.09 H new ATOM 1949 N ASP A 119 16.643 14.173 4.053 1.00 11.16 N ATOM 1950 CA ASP A 119 17.414 14.367 5.273 1.00 11.89 C ATOM 1951 C ASP A 119 16.795 13.593 6.421 1.00 12.21 C ATOM 1952 O ASP A 119 15.543 13.515 6.483 1.00 0.00 O ATOM 1953 CB ASP A 119 17.488 15.846 5.636 1.00 12.51 C ATOM 1954 CG ASP A 119 18.461 16.612 4.768 1.00 13.33 C ATOM 1955 OD1 ASP A 119 19.662 16.256 4.747 1.00 13.70 O ATOM 1956 OD2 ASP A 119 18.035 17.582 4.106 1.00 13.75 O ATOM 1957 OXT ASP A 119 17.554 13.057 7.250 1.00 0.00 O ATOM 0 H ASP A 119 15.833 14.787 3.963 1.00 11.16 H new ATOM 0 HA ASP A 119 18.423 13.996 5.095 1.00 11.89 H new ATOM 0 HB2 ASP A 119 16.497 16.289 5.542 1.00 12.51 H new ATOM 0 HB3 ASP A 119 17.783 15.945 6.681 1.00 12.51 H new TER 1962 ASP A 119