USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 678 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 29 SER OG : rot -71:sc= 0.507 USER MOD Set 1.2: A 30 HIS : no HE2:sc= -5.34! C(o=-10!,f=-18!) USER MOD Set 1.3: A 33 GLN : amide:sc= -5.97! C(o=-10!,f=-10!) USER MOD Set 1.4: A 64 THR OG1 : rot 71:sc= 0.701 USER MOD Set 2.1: A 28 TYR OH : rot 30:sc= 0.531 USER MOD Set 2.2: A 54 LYS NZ :NH3+ -131:sc= 1 (180deg=-3.05!) USER MOD Set 3.1: A 16 LYS NZ :NH3+ -153:sc= 1.26 (180deg=-0.153) USER MOD Set 3.2: A 17 THR OG1 : rot 180:sc= 1.09 USER MOD Single : A 7 LYS NZ :NH3+ -148:sc= -0.199 (180deg=-1.75!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= 1.18 K(o=1.2,f=-5.1!) USER MOD Single : A 18 LYS NZ :NH3+ 167:sc= -2.2! (180deg=-3.21!) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot -82:sc= 0.826 USER MOD Single : A 40 ASN : amide:sc= -0.195 X(o=-0.2,f=-0.2) USER MOD Single : A 41 THR OG1 : rot 180:sc= 1.01 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -152:sc= -0.188 (180deg=-0.835) USER MOD Single : A 52 LYS NZ :NH3+ -135:sc= -5.88! (180deg=-10!) USER MOD Single : A 59 ASN : amide:sc= 0.567 K(o=0.57,f=-2.9!) USER MOD Single : A 62 LYS NZ :NH3+ -135:sc= 0.512 (180deg=-3.24!) USER MOD Single : A 65 SER OG : rot 120:sc= 0.788 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -117:sc= -0.0887 (180deg=-2.57!) USER MOD Single : A 71 LYS NZ :NH3+ 173:sc= 1.25 (180deg=1.14) USER MOD Single : A 73 TYR OH : rot 80:sc= -1.29! USER MOD Single : A 76 LYS NZ :NH3+ 170:sc= 0.00348 (180deg=-0.574!) USER MOD Single : A 81 LYS NZ :NH3+ 159:sc= -0.0791! (180deg=-1.68!) USER MOD Single : A 82 LYS NZ :NH3+ -110:sc= 0.957 (180deg=-0.109) USER MOD Single : A 83 LYS NZ :NH3+ -121:sc= 0.708 (180deg=-2.7!) USER MOD Single : A 84 TYR OH : rot 180:sc= -0.294 USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 3 4.217 4.953 -3.738 1.00 2.20 N ATOM 32 CA ALA A 3 5.241 5.545 -2.785 1.00 2.28 C ATOM 33 C ALA A 3 5.904 4.546 -1.768 1.00 1.94 C ATOM 34 O ALA A 3 6.842 4.868 -1.062 1.00 1.77 O ATOM 35 CB ALA A 3 4.546 6.696 -2.012 1.00 2.84 C ATOM 0 HA ALA A 3 6.075 5.882 -3.401 1.00 2.28 H new ATOM 0 HB1 ALA A 3 5.254 7.146 -1.316 1.00 2.84 H new ATOM 0 HB2 ALA A 3 4.201 7.452 -2.718 1.00 2.84 H new ATOM 0 HB3 ALA A 3 3.694 6.300 -1.458 1.00 2.84 H new ATOM 41 N GLU A 4 5.406 3.336 -1.718 1.00 1.95 N ATOM 42 CA GLU A 4 5.911 2.275 -0.800 1.00 1.71 C ATOM 43 C GLU A 4 7.132 1.602 -1.337 1.00 1.08 C ATOM 44 O GLU A 4 7.979 1.102 -0.632 1.00 0.61 O ATOM 45 CB GLU A 4 4.837 1.207 -0.569 1.00 1.86 C ATOM 46 CG GLU A 4 4.242 1.386 0.862 1.00 2.30 C ATOM 47 CD GLU A 4 3.498 0.111 1.306 1.00 2.48 C ATOM 48 OE1 GLU A 4 4.135 -0.928 1.234 1.00 2.49 O ATOM 49 OE2 GLU A 4 2.353 0.249 1.691 1.00 3.80 O ATOM 0 H GLU A 4 4.632 3.030 -2.307 1.00 1.95 H new ATOM 0 HA GLU A 4 6.164 2.771 0.137 1.00 1.71 H new ATOM 0 HB2 GLU A 4 4.050 1.296 -1.318 1.00 1.86 H new ATOM 0 HB3 GLU A 4 5.267 0.211 -0.676 1.00 1.86 H new ATOM 0 HG2 GLU A 4 5.041 1.611 1.568 1.00 2.30 H new ATOM 0 HG3 GLU A 4 3.558 2.235 0.873 1.00 2.30 H new ATOM 56 N PHE A 5 7.154 1.646 -2.616 1.00 1.11 N ATOM 57 CA PHE A 5 8.249 1.061 -3.379 1.00 0.71 C ATOM 58 C PHE A 5 9.298 2.192 -3.316 1.00 0.84 C ATOM 59 O PHE A 5 10.478 1.932 -3.249 1.00 0.80 O ATOM 60 CB PHE A 5 7.563 0.742 -4.688 1.00 0.62 C ATOM 61 CG PHE A 5 8.447 1.165 -5.804 1.00 0.51 C ATOM 62 CD1 PHE A 5 8.434 2.477 -6.154 1.00 2.28 C ATOM 63 CD2 PHE A 5 9.251 0.260 -6.430 1.00 2.50 C ATOM 64 CE1 PHE A 5 9.267 2.899 -7.177 1.00 2.27 C ATOM 65 CE2 PHE A 5 10.082 0.646 -7.440 1.00 2.53 C ATOM 66 CZ PHE A 5 10.090 1.977 -7.820 1.00 0.35 C ATOM 0 H PHE A 5 6.428 2.081 -3.185 1.00 1.11 H new ATOM 0 HA PHE A 5 8.768 0.150 -3.081 1.00 0.71 H new ATOM 0 HB2 PHE A 5 7.354 -0.326 -4.755 1.00 0.62 H new ATOM 0 HB3 PHE A 5 6.605 1.258 -4.748 1.00 0.62 H new ATOM 0 HD1 PHE A 5 7.788 3.177 -5.645 1.00 2.28 H new ATOM 0 HD2 PHE A 5 9.230 -0.775 -6.123 1.00 2.50 H new ATOM 0 HE1 PHE A 5 9.278 3.937 -7.475 1.00 2.27 H new ATOM 0 HE2 PHE A 5 10.721 -0.072 -7.933 1.00 2.53 H new ATOM 0 HZ PHE A 5 10.738 2.303 -8.620 1.00 0.35 H new ATOM 76 N ASP A 6 8.836 3.414 -3.343 1.00 1.10 N ATOM 77 CA ASP A 6 9.742 4.585 -3.258 1.00 1.36 C ATOM 78 C ASP A 6 10.396 4.469 -1.866 1.00 1.18 C ATOM 79 O ASP A 6 11.570 4.583 -1.599 1.00 1.35 O ATOM 80 CB ASP A 6 8.845 5.759 -3.410 1.00 1.72 C ATOM 81 CG ASP A 6 8.318 5.747 -4.827 1.00 2.21 C ATOM 82 OD1 ASP A 6 8.976 6.272 -5.700 1.00 4.33 O ATOM 83 OD2 ASP A 6 7.256 5.178 -4.961 1.00 1.22 O ATOM 0 H ASP A 6 7.847 3.649 -3.422 1.00 1.10 H new ATOM 0 HA ASP A 6 10.535 4.660 -4.003 1.00 1.36 H new ATOM 0 HB2 ASP A 6 8.024 5.709 -2.695 1.00 1.72 H new ATOM 0 HB3 ASP A 6 9.386 6.684 -3.210 1.00 1.72 H new ATOM 88 N LYS A 7 9.519 4.189 -0.959 1.00 0.88 N ATOM 89 CA LYS A 7 9.920 4.016 0.462 1.00 0.69 C ATOM 90 C LYS A 7 11.032 2.956 0.466 1.00 0.70 C ATOM 91 O LYS A 7 12.058 3.154 1.078 1.00 0.78 O ATOM 92 CB LYS A 7 8.687 3.559 1.222 1.00 0.56 C ATOM 93 CG LYS A 7 9.051 2.697 2.453 1.00 1.46 C ATOM 94 CD LYS A 7 7.747 2.380 3.223 1.00 2.11 C ATOM 95 CE LYS A 7 7.240 3.618 3.929 1.00 2.60 C ATOM 96 NZ LYS A 7 8.340 4.025 4.854 1.00 1.70 N ATOM 0 H LYS A 7 8.522 4.069 -1.140 1.00 0.88 H new ATOM 0 HA LYS A 7 10.292 4.926 0.933 1.00 0.69 H new ATOM 0 HB2 LYS A 7 8.117 4.430 1.545 1.00 0.56 H new ATOM 0 HB3 LYS A 7 8.042 2.986 0.556 1.00 0.56 H new ATOM 0 HG2 LYS A 7 9.541 1.775 2.140 1.00 1.46 H new ATOM 0 HG3 LYS A 7 9.752 3.229 3.096 1.00 1.46 H new ATOM 0 HD2 LYS A 7 6.989 2.011 2.532 1.00 2.11 H new ATOM 0 HD3 LYS A 7 7.929 1.588 3.949 1.00 2.11 H new ATOM 0 HE2 LYS A 7 7.012 4.411 3.217 1.00 2.60 H new ATOM 0 HE3 LYS A 7 6.322 3.409 4.478 1.00 2.60 H new ATOM 0 HZ1 LYS A 7 7.934 4.466 5.704 1.00 1.70 H new ATOM 0 HZ2 LYS A 7 8.891 3.187 5.129 1.00 1.70 H new ATOM 0 HZ3 LYS A 7 8.963 4.706 4.375 1.00 1.70 H new ATOM 110 N ALA A 8 10.796 1.873 -0.231 1.00 0.60 N ATOM 111 CA ALA A 8 11.817 0.781 -0.292 1.00 0.57 C ATOM 112 C ALA A 8 13.079 1.428 -0.929 1.00 0.64 C ATOM 113 O ALA A 8 14.164 1.356 -0.394 1.00 0.59 O ATOM 114 CB ALA A 8 11.211 -0.359 -1.149 1.00 0.46 C ATOM 0 H ALA A 8 9.942 1.697 -0.760 1.00 0.60 H new ATOM 0 HA ALA A 8 12.091 0.352 0.672 1.00 0.57 H new ATOM 0 HB1 ALA A 8 11.925 -1.180 -1.220 1.00 0.46 H new ATOM 0 HB2 ALA A 8 10.293 -0.716 -0.683 1.00 0.46 H new ATOM 0 HB3 ALA A 8 10.988 0.016 -2.148 1.00 0.46 H new ATOM 120 N ALA A 9 12.920 2.054 -2.062 1.00 0.81 N ATOM 121 CA ALA A 9 14.030 2.734 -2.789 1.00 0.81 C ATOM 122 C ALA A 9 14.862 3.627 -1.846 1.00 0.81 C ATOM 123 O ALA A 9 16.061 3.476 -1.759 1.00 0.84 O ATOM 124 CB ALA A 9 13.348 3.519 -3.939 1.00 0.83 C ATOM 0 H ALA A 9 12.020 2.124 -2.536 1.00 0.81 H new ATOM 0 HA ALA A 9 14.755 2.026 -3.191 1.00 0.81 H new ATOM 0 HB1 ALA A 9 14.106 4.046 -4.519 1.00 0.83 H new ATOM 0 HB2 ALA A 9 12.813 2.824 -4.587 1.00 0.83 H new ATOM 0 HB3 ALA A 9 12.645 4.239 -3.521 1.00 0.83 H new ATOM 130 N GLU A 10 14.247 4.536 -1.156 1.00 0.82 N ATOM 131 CA GLU A 10 14.996 5.416 -0.220 1.00 0.88 C ATOM 132 C GLU A 10 15.622 4.477 0.760 1.00 0.57 C ATOM 133 O GLU A 10 16.826 4.533 0.932 1.00 0.63 O ATOM 134 CB GLU A 10 13.997 6.389 0.417 1.00 1.06 C ATOM 135 CG GLU A 10 13.707 7.532 -0.612 1.00 1.71 C ATOM 136 CD GLU A 10 13.194 7.032 -1.975 1.00 4.08 C ATOM 137 OE1 GLU A 10 14.017 6.529 -2.733 1.00 5.69 O ATOM 138 OE2 GLU A 10 12.005 7.196 -2.157 1.00 4.69 O ATOM 0 H GLU A 10 13.243 4.712 -1.199 1.00 0.82 H new ATOM 0 HA GLU A 10 15.768 6.030 -0.683 1.00 0.88 H new ATOM 0 HB2 GLU A 10 13.075 5.870 0.679 1.00 1.06 H new ATOM 0 HB3 GLU A 10 14.404 6.802 1.340 1.00 1.06 H new ATOM 0 HG2 GLU A 10 12.970 8.213 -0.185 1.00 1.71 H new ATOM 0 HG3 GLU A 10 14.620 8.107 -0.768 1.00 1.71 H new ATOM 145 N GLU A 11 14.845 3.627 1.368 1.00 0.36 N ATOM 146 CA GLU A 11 15.493 2.700 2.330 1.00 0.23 C ATOM 147 C GLU A 11 16.670 1.960 1.620 1.00 0.34 C ATOM 148 O GLU A 11 17.626 1.576 2.263 1.00 0.79 O ATOM 149 CB GLU A 11 14.388 1.783 2.837 1.00 0.22 C ATOM 150 CG GLU A 11 13.440 2.706 3.688 1.00 0.34 C ATOM 151 CD GLU A 11 13.314 2.258 5.148 1.00 0.50 C ATOM 152 OE1 GLU A 11 14.352 2.203 5.787 1.00 2.39 O ATOM 153 OE2 GLU A 11 12.182 1.998 5.536 1.00 1.58 O ATOM 0 H GLU A 11 13.836 3.535 1.249 1.00 0.36 H new ATOM 0 HA GLU A 11 15.946 3.202 3.185 1.00 0.23 H new ATOM 0 HB2 GLU A 11 13.849 1.322 2.009 1.00 0.22 H new ATOM 0 HB3 GLU A 11 14.796 0.973 3.442 1.00 0.22 H new ATOM 0 HG2 GLU A 11 13.817 3.728 3.659 1.00 0.34 H new ATOM 0 HG3 GLU A 11 12.450 2.719 3.232 1.00 0.34 H new ATOM 160 N VAL A 12 16.608 1.771 0.319 1.00 0.35 N ATOM 161 CA VAL A 12 17.713 1.072 -0.430 1.00 0.29 C ATOM 162 C VAL A 12 18.873 2.090 -0.543 1.00 0.35 C ATOM 163 O VAL A 12 20.013 1.721 -0.349 1.00 0.33 O ATOM 164 CB VAL A 12 17.175 0.624 -1.833 1.00 0.33 C ATOM 165 CG1 VAL A 12 17.913 1.313 -3.011 1.00 0.86 C ATOM 166 CG2 VAL A 12 17.344 -0.878 -2.049 1.00 0.25 C ATOM 0 H VAL A 12 15.829 2.075 -0.265 1.00 0.35 H new ATOM 0 HA VAL A 12 18.064 0.173 0.076 1.00 0.29 H new ATOM 0 HB VAL A 12 16.124 0.911 -1.826 1.00 0.33 H new ATOM 0 HG11 VAL A 12 17.497 0.963 -3.956 1.00 0.86 H new ATOM 0 HG12 VAL A 12 17.787 2.393 -2.937 1.00 0.86 H new ATOM 0 HG13 VAL A 12 18.974 1.068 -2.969 1.00 0.86 H new ATOM 0 HG21 VAL A 12 16.960 -1.150 -3.032 1.00 0.25 H new ATOM 0 HG22 VAL A 12 18.401 -1.138 -1.988 1.00 0.25 H new ATOM 0 HG23 VAL A 12 16.792 -1.420 -1.281 1.00 0.25 H new ATOM 176 N LYS A 13 18.594 3.339 -0.857 1.00 0.43 N ATOM 177 CA LYS A 13 19.669 4.378 -0.964 1.00 0.50 C ATOM 178 C LYS A 13 20.444 4.360 0.376 1.00 0.51 C ATOM 179 O LYS A 13 21.600 4.718 0.452 1.00 0.87 O ATOM 180 CB LYS A 13 19.018 5.783 -1.223 1.00 0.67 C ATOM 181 CG LYS A 13 19.166 6.236 -2.731 1.00 1.46 C ATOM 182 CD LYS A 13 18.656 7.727 -2.987 1.00 1.49 C ATOM 183 CE LYS A 13 19.713 8.859 -2.739 1.00 1.80 C ATOM 184 NZ LYS A 13 20.654 8.916 -3.896 1.00 2.36 N ATOM 0 H LYS A 13 17.653 3.684 -1.046 1.00 0.43 H new ATOM 0 HA LYS A 13 20.347 4.174 -1.793 1.00 0.50 H new ATOM 0 HB2 LYS A 13 17.961 5.747 -0.957 1.00 0.67 H new ATOM 0 HB3 LYS A 13 19.485 6.524 -0.574 1.00 0.67 H new ATOM 0 HG2 LYS A 13 20.212 6.160 -3.026 1.00 1.46 H new ATOM 0 HG3 LYS A 13 18.605 5.552 -3.367 1.00 1.46 H new ATOM 0 HD2 LYS A 13 18.307 7.800 -4.017 1.00 1.49 H new ATOM 0 HD3 LYS A 13 17.795 7.912 -2.345 1.00 1.49 H new ATOM 0 HE2 LYS A 13 19.212 9.819 -2.615 1.00 1.80 H new ATOM 0 HE3 LYS A 13 20.262 8.664 -1.818 1.00 1.80 H new ATOM 0 HZ1 LYS A 13 21.357 9.666 -3.735 1.00 2.36 H new ATOM 0 HZ2 LYS A 13 21.140 8.002 -3.994 1.00 2.36 H new ATOM 0 HZ3 LYS A 13 20.122 9.121 -4.766 1.00 2.36 H new ATOM 198 N HIS A 14 19.754 3.912 1.394 1.00 0.26 N ATOM 199 CA HIS A 14 20.346 3.820 2.770 1.00 0.41 C ATOM 200 C HIS A 14 20.998 2.428 3.090 1.00 0.55 C ATOM 201 O HIS A 14 21.450 2.202 4.195 1.00 0.79 O ATOM 202 CB HIS A 14 19.218 4.136 3.805 1.00 0.37 C ATOM 203 CG HIS A 14 18.715 5.583 3.705 1.00 0.38 C ATOM 204 ND1 HIS A 14 17.800 6.021 2.905 1.00 0.20 N ATOM 205 CD2 HIS A 14 19.098 6.710 4.410 1.00 0.66 C ATOM 206 CE1 HIS A 14 17.618 7.294 3.083 1.00 0.25 C ATOM 207 NE2 HIS A 14 18.409 7.763 4.014 1.00 0.55 N ATOM 0 H HIS A 14 18.785 3.599 1.331 1.00 0.26 H new ATOM 0 HA HIS A 14 21.159 4.543 2.829 1.00 0.41 H new ATOM 0 HB2 HIS A 14 18.383 3.453 3.647 1.00 0.37 H new ATOM 0 HB3 HIS A 14 19.593 3.954 4.812 1.00 0.37 H new ATOM 0 HD1 HIS A 14 17.293 5.448 2.230 1.00 0.20 H new ATOM 0 HD2 HIS A 14 19.857 6.726 5.179 1.00 0.66 H new ATOM 0 HE1 HIS A 14 16.905 7.890 2.533 1.00 0.25 H new ATOM 215 N LEU A 15 21.065 1.518 2.149 1.00 0.41 N ATOM 216 CA LEU A 15 21.691 0.161 2.398 1.00 0.58 C ATOM 217 C LEU A 15 23.234 0.214 2.421 1.00 0.79 C ATOM 218 O LEU A 15 23.903 -0.571 1.779 1.00 1.71 O ATOM 219 CB LEU A 15 21.252 -0.823 1.292 1.00 0.62 C ATOM 220 CG LEU A 15 19.844 -1.308 1.522 1.00 0.56 C ATOM 221 CD1 LEU A 15 19.478 -2.121 0.289 1.00 0.51 C ATOM 222 CD2 LEU A 15 19.822 -2.290 2.690 1.00 0.76 C ATOM 0 H LEU A 15 20.710 1.651 1.202 1.00 0.41 H new ATOM 0 HA LEU A 15 21.349 -0.171 3.378 1.00 0.58 H new ATOM 0 HB2 LEU A 15 21.317 -0.334 0.320 1.00 0.62 H new ATOM 0 HB3 LEU A 15 21.933 -1.674 1.267 1.00 0.62 H new ATOM 0 HG LEU A 15 19.177 -0.468 1.716 1.00 0.56 H new ATOM 0 HD11 LEU A 15 18.463 -2.503 0.394 1.00 0.51 H new ATOM 0 HD12 LEU A 15 19.538 -1.487 -0.596 1.00 0.51 H new ATOM 0 HD13 LEU A 15 20.171 -2.956 0.185 1.00 0.51 H new ATOM 0 HD21 LEU A 15 18.802 -2.638 2.853 1.00 0.76 H new ATOM 0 HD22 LEU A 15 20.464 -3.141 2.462 1.00 0.76 H new ATOM 0 HD23 LEU A 15 20.184 -1.793 3.590 1.00 0.76 H new ATOM 234 N LYS A 16 23.719 1.176 3.168 1.00 0.45 N ATOM 235 CA LYS A 16 25.178 1.474 3.394 1.00 0.44 C ATOM 236 C LYS A 16 26.216 0.458 2.983 1.00 0.40 C ATOM 237 O LYS A 16 27.314 0.814 2.613 1.00 0.74 O ATOM 238 CB LYS A 16 25.391 1.796 4.895 1.00 0.55 C ATOM 239 CG LYS A 16 25.069 0.567 5.812 1.00 2.18 C ATOM 240 CD LYS A 16 25.808 0.784 7.167 1.00 2.17 C ATOM 241 CE LYS A 16 27.288 0.404 7.015 1.00 3.72 C ATOM 242 NZ LYS A 16 27.368 -1.087 7.056 1.00 5.17 N ATOM 0 H LYS A 16 23.110 1.820 3.672 1.00 0.45 H new ATOM 0 HA LYS A 16 25.358 2.304 2.711 1.00 0.44 H new ATOM 0 HB2 LYS A 16 26.423 2.107 5.056 1.00 0.55 H new ATOM 0 HB3 LYS A 16 24.757 2.636 5.179 1.00 0.55 H new ATOM 0 HG2 LYS A 16 23.994 0.479 5.972 1.00 2.18 H new ATOM 0 HG3 LYS A 16 25.398 -0.359 5.341 1.00 2.18 H new ATOM 0 HD2 LYS A 16 25.720 1.825 7.478 1.00 2.17 H new ATOM 0 HD3 LYS A 16 25.345 0.178 7.946 1.00 2.17 H new ATOM 0 HE2 LYS A 16 27.688 0.785 6.076 1.00 3.72 H new ATOM 0 HE3 LYS A 16 27.882 0.843 7.816 1.00 3.72 H new ATOM 0 HZ1 LYS A 16 28.303 -1.375 7.410 1.00 5.17 H new ATOM 0 HZ2 LYS A 16 26.630 -1.457 7.688 1.00 5.17 H new ATOM 0 HZ3 LYS A 16 27.228 -1.469 6.099 1.00 5.17 H new ATOM 256 N THR A 17 25.892 -0.782 3.020 1.00 0.75 N ATOM 257 CA THR A 17 26.899 -1.808 2.605 1.00 0.93 C ATOM 258 C THR A 17 26.493 -2.163 1.137 1.00 1.02 C ATOM 259 O THR A 17 26.396 -3.301 0.740 1.00 0.83 O ATOM 260 CB THR A 17 26.812 -3.032 3.558 1.00 1.00 C ATOM 261 OG1 THR A 17 27.352 -2.618 4.818 1.00 1.02 O ATOM 262 CG2 THR A 17 27.859 -4.066 3.150 1.00 1.03 C ATOM 0 H THR A 17 24.986 -1.146 3.314 1.00 0.75 H new ATOM 0 HA THR A 17 27.932 -1.464 2.655 1.00 0.93 H new ATOM 0 HB THR A 17 25.786 -3.399 3.559 1.00 1.00 H new ATOM 0 HG1 THR A 17 27.314 -3.365 5.452 1.00 1.02 H new ATOM 0 HG21 THR A 17 27.800 -4.926 3.817 1.00 1.03 H new ATOM 0 HG22 THR A 17 27.672 -4.388 2.125 1.00 1.03 H new ATOM 0 HG23 THR A 17 28.853 -3.623 3.216 1.00 1.03 H new ATOM 270 N LYS A 18 26.322 -1.099 0.381 1.00 1.37 N ATOM 271 CA LYS A 18 25.926 -1.067 -1.086 1.00 1.55 C ATOM 272 C LYS A 18 26.066 -2.499 -1.681 1.00 1.28 C ATOM 273 O LYS A 18 27.148 -2.986 -1.939 1.00 1.39 O ATOM 274 CB LYS A 18 26.849 -0.034 -1.804 1.00 1.86 C ATOM 275 CG LYS A 18 28.355 -0.453 -1.946 1.00 1.45 C ATOM 276 CD LYS A 18 29.123 -0.549 -0.570 1.00 3.33 C ATOM 277 CE LYS A 18 29.913 -1.861 -0.487 1.00 3.30 C ATOM 278 NZ LYS A 18 28.917 -2.972 -0.389 1.00 4.81 N ATOM 0 H LYS A 18 26.453 -0.160 0.757 1.00 1.37 H new ATOM 0 HA LYS A 18 24.889 -0.760 -1.221 1.00 1.55 H new ATOM 0 HB2 LYS A 18 26.448 0.154 -2.800 1.00 1.86 H new ATOM 0 HB3 LYS A 18 26.803 0.908 -1.258 1.00 1.86 H new ATOM 0 HG2 LYS A 18 28.408 -1.419 -2.449 1.00 1.45 H new ATOM 0 HG3 LYS A 18 28.864 0.268 -2.586 1.00 1.45 H new ATOM 0 HD2 LYS A 18 29.801 0.298 -0.465 1.00 3.33 H new ATOM 0 HD3 LYS A 18 28.412 -0.492 0.255 1.00 3.33 H new ATOM 0 HE2 LYS A 18 30.544 -1.986 -1.367 1.00 3.30 H new ATOM 0 HE3 LYS A 18 30.573 -1.858 0.381 1.00 3.30 H new ATOM 0 HZ1 LYS A 18 29.394 -3.882 -0.551 1.00 4.81 H new ATOM 0 HZ2 LYS A 18 28.488 -2.971 0.558 1.00 4.81 H new ATOM 0 HZ3 LYS A 18 28.175 -2.838 -1.106 1.00 4.81 H new ATOM 292 N PRO A 19 24.957 -3.161 -1.879 1.00 1.00 N ATOM 293 CA PRO A 19 24.998 -4.540 -2.426 1.00 0.70 C ATOM 294 C PRO A 19 25.867 -4.800 -3.675 1.00 0.77 C ATOM 295 O PRO A 19 26.322 -3.913 -4.375 1.00 1.05 O ATOM 296 CB PRO A 19 23.488 -4.843 -2.555 1.00 0.48 C ATOM 297 CG PRO A 19 22.890 -3.958 -1.398 1.00 0.77 C ATOM 298 CD PRO A 19 23.579 -2.663 -1.607 1.00 0.96 C ATOM 0 HA PRO A 19 25.540 -5.233 -1.783 1.00 0.70 H new ATOM 0 HB2 PRO A 19 23.095 -4.561 -3.532 1.00 0.48 H new ATOM 0 HB3 PRO A 19 23.269 -5.902 -2.417 1.00 0.48 H new ATOM 0 HG2 PRO A 19 21.807 -3.861 -1.478 1.00 0.77 H new ATOM 0 HG3 PRO A 19 23.101 -4.377 -0.414 1.00 0.77 H new ATOM 0 HD2 PRO A 19 23.165 -2.098 -2.442 1.00 0.96 H new ATOM 0 HD3 PRO A 19 23.532 -2.017 -0.730 1.00 0.96 H new ATOM 306 N ALA A 20 26.066 -6.070 -3.900 1.00 0.63 N ATOM 307 CA ALA A 20 26.898 -6.522 -5.071 1.00 0.99 C ATOM 308 C ALA A 20 26.255 -6.111 -6.423 1.00 0.82 C ATOM 309 O ALA A 20 25.051 -5.945 -6.484 1.00 0.68 O ATOM 310 CB ALA A 20 27.041 -8.058 -4.933 1.00 1.24 C ATOM 0 H ALA A 20 25.690 -6.824 -3.325 1.00 0.63 H new ATOM 0 HA ALA A 20 27.877 -6.044 -5.066 1.00 0.99 H new ATOM 0 HB1 ALA A 20 27.638 -8.444 -5.759 1.00 1.24 H new ATOM 0 HB2 ALA A 20 27.532 -8.294 -3.989 1.00 1.24 H new ATOM 0 HB3 ALA A 20 26.053 -8.519 -4.953 1.00 1.24 H new ATOM 316 N ASP A 21 27.028 -5.951 -7.464 1.00 0.78 N ATOM 317 CA ASP A 21 26.420 -5.557 -8.766 1.00 0.61 C ATOM 318 C ASP A 21 25.179 -6.408 -9.108 1.00 0.57 C ATOM 319 O ASP A 21 24.160 -5.823 -9.350 1.00 0.51 O ATOM 320 CB ASP A 21 27.546 -5.663 -9.841 1.00 0.70 C ATOM 321 CG ASP A 21 28.784 -4.857 -9.442 1.00 0.73 C ATOM 322 OD1 ASP A 21 29.420 -5.280 -8.485 1.00 0.68 O ATOM 323 OD2 ASP A 21 29.024 -3.864 -10.117 1.00 0.83 O ATOM 0 H ASP A 21 28.041 -6.074 -7.470 1.00 0.78 H new ATOM 0 HA ASP A 21 26.044 -4.535 -8.724 1.00 0.61 H new ATOM 0 HB2 ASP A 21 27.821 -6.709 -9.979 1.00 0.70 H new ATOM 0 HB3 ASP A 21 27.170 -5.303 -10.799 1.00 0.70 H new ATOM 328 N GLU A 22 25.185 -7.709 -9.147 1.00 0.57 N ATOM 329 CA GLU A 22 23.908 -8.446 -9.482 1.00 0.59 C ATOM 330 C GLU A 22 22.649 -8.001 -8.663 1.00 0.54 C ATOM 331 O GLU A 22 21.617 -7.649 -9.212 1.00 0.95 O ATOM 332 CB GLU A 22 24.187 -9.965 -9.274 1.00 0.61 C ATOM 333 CG GLU A 22 25.093 -10.520 -10.419 1.00 0.92 C ATOM 334 CD GLU A 22 24.280 -10.638 -11.710 1.00 3.31 C ATOM 335 OE1 GLU A 22 24.031 -9.599 -12.290 1.00 5.05 O ATOM 336 OE2 GLU A 22 23.952 -11.765 -12.027 1.00 3.89 O ATOM 0 H GLU A 22 25.998 -8.298 -8.967 1.00 0.57 H new ATOM 0 HA GLU A 22 23.650 -8.207 -10.514 1.00 0.59 H new ATOM 0 HB2 GLU A 22 24.672 -10.122 -8.311 1.00 0.61 H new ATOM 0 HB3 GLU A 22 23.245 -10.513 -9.250 1.00 0.61 H new ATOM 0 HG2 GLU A 22 25.945 -9.859 -10.574 1.00 0.92 H new ATOM 0 HG3 GLU A 22 25.493 -11.495 -10.139 1.00 0.92 H new ATOM 343 N GLU A 23 22.736 -8.020 -7.356 1.00 0.53 N ATOM 344 CA GLU A 23 21.537 -7.591 -6.566 1.00 0.58 C ATOM 345 C GLU A 23 21.300 -6.100 -6.967 1.00 0.61 C ATOM 346 O GLU A 23 20.143 -5.738 -7.138 1.00 0.69 O ATOM 347 CB GLU A 23 21.851 -7.826 -5.039 1.00 0.73 C ATOM 348 CG GLU A 23 21.928 -9.386 -4.704 1.00 0.76 C ATOM 349 CD GLU A 23 20.583 -10.082 -4.396 1.00 2.00 C ATOM 350 OE1 GLU A 23 19.856 -9.675 -3.502 1.00 3.28 O ATOM 351 OE2 GLU A 23 20.247 -11.056 -5.042 1.00 2.73 O ATOM 0 H GLU A 23 23.553 -8.303 -6.815 1.00 0.53 H new ATOM 0 HA GLU A 23 20.623 -8.151 -6.765 1.00 0.58 H new ATOM 0 HB2 GLU A 23 22.796 -7.348 -4.781 1.00 0.73 H new ATOM 0 HB3 GLU A 23 21.079 -7.357 -4.429 1.00 0.73 H new ATOM 0 HG2 GLU A 23 22.393 -9.896 -5.548 1.00 0.76 H new ATOM 0 HG3 GLU A 23 22.588 -9.521 -3.847 1.00 0.76 H new ATOM 358 N MET A 24 22.354 -5.305 -7.101 1.00 0.53 N ATOM 359 CA MET A 24 22.187 -3.866 -7.513 1.00 0.56 C ATOM 360 C MET A 24 21.358 -3.921 -8.828 1.00 0.59 C ATOM 361 O MET A 24 20.309 -3.345 -8.914 1.00 0.80 O ATOM 362 CB MET A 24 23.602 -3.275 -7.742 1.00 0.37 C ATOM 363 CG MET A 24 24.391 -3.164 -6.421 1.00 0.28 C ATOM 364 SD MET A 24 24.180 -1.649 -5.464 1.00 0.30 S ATOM 365 CE MET A 24 25.439 -0.718 -6.367 1.00 0.51 C ATOM 0 H MET A 24 23.319 -5.596 -6.942 1.00 0.53 H new ATOM 0 HA MET A 24 21.684 -3.241 -6.775 1.00 0.56 H new ATOM 0 HB2 MET A 24 24.151 -3.904 -8.443 1.00 0.37 H new ATOM 0 HB3 MET A 24 23.516 -2.289 -8.199 1.00 0.37 H new ATOM 0 HG2 MET A 24 24.111 -4.006 -5.788 1.00 0.28 H new ATOM 0 HG3 MET A 24 25.451 -3.275 -6.649 1.00 0.28 H new ATOM 0 HE1 MET A 24 25.510 0.290 -5.957 1.00 0.51 H new ATOM 0 HE2 MET A 24 26.402 -1.219 -6.268 1.00 0.51 H new ATOM 0 HE3 MET A 24 25.165 -0.663 -7.421 1.00 0.51 H new ATOM 375 N LEU A 25 21.851 -4.606 -9.817 1.00 0.37 N ATOM 376 CA LEU A 25 21.225 -4.800 -11.146 1.00 0.39 C ATOM 377 C LEU A 25 19.718 -5.111 -11.076 1.00 0.47 C ATOM 378 O LEU A 25 18.888 -4.462 -11.692 1.00 0.64 O ATOM 379 CB LEU A 25 22.048 -5.921 -11.784 1.00 0.23 C ATOM 380 CG LEU A 25 23.343 -5.401 -12.401 1.00 0.63 C ATOM 381 CD1 LEU A 25 24.083 -6.584 -13.004 1.00 0.84 C ATOM 382 CD2 LEU A 25 23.042 -4.392 -13.539 1.00 0.73 C ATOM 0 H LEU A 25 22.750 -5.082 -9.741 1.00 0.37 H new ATOM 0 HA LEU A 25 21.245 -3.888 -11.742 1.00 0.39 H new ATOM 0 HB2 LEU A 25 22.282 -6.673 -11.030 1.00 0.23 H new ATOM 0 HB3 LEU A 25 21.453 -6.415 -12.552 1.00 0.23 H new ATOM 0 HG LEU A 25 23.933 -4.904 -11.631 1.00 0.63 H new ATOM 0 HD11 LEU A 25 25.015 -6.240 -13.453 1.00 0.84 H new ATOM 0 HD12 LEU A 25 24.304 -7.312 -12.223 1.00 0.84 H new ATOM 0 HD13 LEU A 25 23.462 -7.050 -13.769 1.00 0.84 H new ATOM 0 HD21 LEU A 25 23.979 -4.034 -13.965 1.00 0.73 H new ATOM 0 HD22 LEU A 25 22.455 -4.883 -14.315 1.00 0.73 H new ATOM 0 HD23 LEU A 25 22.480 -3.549 -13.138 1.00 0.73 H new ATOM 394 N PHE A 26 19.384 -6.118 -10.307 1.00 0.56 N ATOM 395 CA PHE A 26 17.929 -6.477 -10.192 1.00 0.67 C ATOM 396 C PHE A 26 17.187 -5.237 -9.656 1.00 0.69 C ATOM 397 O PHE A 26 16.305 -4.703 -10.305 1.00 0.70 O ATOM 398 CB PHE A 26 17.727 -7.641 -9.200 1.00 0.65 C ATOM 399 CG PHE A 26 16.209 -7.894 -9.034 1.00 0.58 C ATOM 400 CD1 PHE A 26 15.457 -7.099 -8.181 1.00 0.47 C ATOM 401 CD2 PHE A 26 15.564 -8.895 -9.737 1.00 0.63 C ATOM 402 CE1 PHE A 26 14.106 -7.294 -8.032 1.00 0.39 C ATOM 403 CE2 PHE A 26 14.203 -9.090 -9.584 1.00 0.57 C ATOM 404 CZ PHE A 26 13.474 -8.284 -8.729 1.00 0.47 C ATOM 0 H PHE A 26 20.030 -6.694 -9.767 1.00 0.56 H new ATOM 0 HA PHE A 26 17.550 -6.785 -11.166 1.00 0.67 H new ATOM 0 HB2 PHE A 26 18.222 -8.540 -9.567 1.00 0.65 H new ATOM 0 HB3 PHE A 26 18.177 -7.399 -8.237 1.00 0.65 H new ATOM 0 HD1 PHE A 26 15.943 -6.312 -7.624 1.00 0.47 H new ATOM 0 HD2 PHE A 26 16.125 -9.528 -10.409 1.00 0.63 H new ATOM 0 HE1 PHE A 26 13.542 -6.663 -7.362 1.00 0.39 H new ATOM 0 HE2 PHE A 26 13.707 -9.876 -10.135 1.00 0.57 H new ATOM 0 HZ PHE A 26 12.411 -8.436 -8.613 1.00 0.47 H new ATOM 414 N ILE A 27 17.606 -4.828 -8.480 1.00 0.73 N ATOM 415 CA ILE A 27 17.004 -3.636 -7.793 1.00 0.75 C ATOM 416 C ILE A 27 16.855 -2.489 -8.804 1.00 0.77 C ATOM 417 O ILE A 27 15.800 -1.931 -9.007 1.00 1.06 O ATOM 418 CB ILE A 27 17.953 -3.317 -6.639 1.00 0.79 C ATOM 419 CG1 ILE A 27 17.905 -4.497 -5.596 1.00 1.32 C ATOM 420 CG2 ILE A 27 17.570 -1.965 -6.010 1.00 0.97 C ATOM 421 CD1 ILE A 27 16.767 -4.320 -4.547 1.00 1.62 C ATOM 0 H ILE A 27 18.356 -5.280 -7.956 1.00 0.73 H new ATOM 0 HA ILE A 27 16.002 -3.811 -7.403 1.00 0.75 H new ATOM 0 HB ILE A 27 18.978 -3.226 -6.998 1.00 0.79 H new ATOM 0 HG12 ILE A 27 17.764 -5.440 -6.125 1.00 1.32 H new ATOM 0 HG13 ILE A 27 18.863 -4.561 -5.080 1.00 1.32 H new ATOM 0 HG21 ILE A 27 18.249 -1.741 -5.187 1.00 0.97 H new ATOM 0 HG22 ILE A 27 17.641 -1.180 -6.763 1.00 0.97 H new ATOM 0 HG23 ILE A 27 16.548 -2.015 -5.634 1.00 0.97 H new ATOM 0 HD11 ILE A 27 16.778 -5.160 -3.853 1.00 1.62 H new ATOM 0 HD12 ILE A 27 16.921 -3.392 -3.996 1.00 1.62 H new ATOM 0 HD13 ILE A 27 15.804 -4.284 -5.057 1.00 1.62 H new ATOM 433 N TYR A 28 17.950 -2.175 -9.419 1.00 0.54 N ATOM 434 CA TYR A 28 18.036 -1.110 -10.438 1.00 0.54 C ATOM 435 C TYR A 28 17.000 -1.295 -11.567 1.00 0.43 C ATOM 436 O TYR A 28 16.145 -0.453 -11.754 1.00 0.39 O ATOM 437 CB TYR A 28 19.453 -1.150 -10.983 1.00 0.48 C ATOM 438 CG TYR A 28 19.549 -0.163 -12.114 1.00 0.55 C ATOM 439 CD1 TYR A 28 19.254 -0.543 -13.415 1.00 2.74 C ATOM 440 CD2 TYR A 28 19.911 1.126 -11.833 1.00 2.13 C ATOM 441 CE1 TYR A 28 19.324 0.388 -14.422 1.00 2.95 C ATOM 442 CE2 TYR A 28 19.975 2.034 -12.845 1.00 1.94 C ATOM 443 CZ TYR A 28 19.685 1.674 -14.140 1.00 0.96 C ATOM 444 OH TYR A 28 19.759 2.594 -15.157 1.00 1.17 O ATOM 0 H TYR A 28 18.839 -2.643 -9.244 1.00 0.54 H new ATOM 0 HA TYR A 28 17.809 -0.142 -9.991 1.00 0.54 H new ATOM 0 HB2 TYR A 28 20.169 -0.901 -10.200 1.00 0.48 H new ATOM 0 HB3 TYR A 28 19.698 -2.153 -11.332 1.00 0.48 H new ATOM 0 HD1 TYR A 28 18.972 -1.562 -13.634 1.00 2.74 H new ATOM 0 HD2 TYR A 28 20.143 1.420 -10.820 1.00 2.13 H new ATOM 0 HE1 TYR A 28 19.093 0.103 -15.438 1.00 2.95 H new ATOM 0 HE2 TYR A 28 20.258 3.053 -12.627 1.00 1.94 H new ATOM 0 HH TYR A 28 19.115 2.360 -15.858 1.00 1.17 H new ATOM 454 N SER A 29 17.107 -2.382 -12.292 1.00 0.39 N ATOM 455 CA SER A 29 16.134 -2.635 -13.415 1.00 0.26 C ATOM 456 C SER A 29 14.728 -2.547 -12.894 1.00 0.31 C ATOM 457 O SER A 29 13.917 -1.853 -13.463 1.00 0.29 O ATOM 458 CB SER A 29 16.280 -4.017 -14.007 1.00 0.24 C ATOM 459 OG SER A 29 16.152 -4.839 -12.849 1.00 0.51 O ATOM 0 H SER A 29 17.817 -3.102 -12.161 1.00 0.39 H new ATOM 0 HA SER A 29 16.345 -1.885 -14.177 1.00 0.26 H new ATOM 0 HB2 SER A 29 15.509 -4.229 -14.748 1.00 0.24 H new ATOM 0 HB3 SER A 29 17.242 -4.152 -14.501 1.00 0.24 H new ATOM 0 HG SER A 29 16.955 -4.750 -12.294 1.00 0.51 H new ATOM 465 N HIS A 30 14.447 -3.242 -11.833 1.00 0.37 N ATOM 466 CA HIS A 30 13.075 -3.184 -11.284 1.00 0.42 C ATOM 467 C HIS A 30 12.732 -1.717 -11.039 1.00 0.51 C ATOM 468 O HIS A 30 11.718 -1.270 -11.531 1.00 0.72 O ATOM 469 CB HIS A 30 13.140 -4.105 -10.078 1.00 0.36 C ATOM 470 CG HIS A 30 13.073 -5.479 -10.759 1.00 0.43 C ATOM 471 ND1 HIS A 30 13.940 -5.960 -11.600 1.00 2.50 N ATOM 472 CD2 HIS A 30 12.109 -6.459 -10.662 1.00 1.75 C ATOM 473 CE1 HIS A 30 13.546 -7.132 -11.992 1.00 2.02 C ATOM 474 NE2 HIS A 30 12.414 -7.480 -11.433 1.00 0.74 N ATOM 0 H HIS A 30 15.101 -3.841 -11.329 1.00 0.37 H new ATOM 0 HA HIS A 30 12.260 -3.529 -11.921 1.00 0.42 H new ATOM 0 HB2 HIS A 30 14.058 -3.972 -9.506 1.00 0.36 H new ATOM 0 HB3 HIS A 30 12.310 -3.944 -9.390 1.00 0.36 H new ATOM 0 HD1 HIS A 30 14.793 -5.491 -11.903 1.00 2.50 H new ATOM 0 HD2 HIS A 30 11.228 -6.397 -10.041 1.00 1.75 H new ATOM 0 HE1 HIS A 30 14.087 -7.747 -12.696 1.00 2.02 H new ATOM 482 N TYR A 31 13.537 -0.997 -10.311 1.00 0.46 N ATOM 483 CA TYR A 31 13.249 0.443 -10.067 1.00 0.53 C ATOM 484 C TYR A 31 12.969 1.144 -11.441 1.00 0.68 C ATOM 485 O TYR A 31 12.041 1.916 -11.605 1.00 0.68 O ATOM 486 CB TYR A 31 14.488 0.925 -9.332 1.00 0.59 C ATOM 487 CG TYR A 31 14.351 2.371 -8.931 1.00 0.65 C ATOM 488 CD1 TYR A 31 13.654 2.741 -7.798 1.00 0.59 C ATOM 489 CD2 TYR A 31 14.923 3.321 -9.734 1.00 0.97 C ATOM 490 CE1 TYR A 31 13.531 4.076 -7.484 1.00 0.72 C ATOM 491 CE2 TYR A 31 14.803 4.657 -9.422 1.00 1.06 C ATOM 492 CZ TYR A 31 14.103 5.032 -8.294 1.00 0.89 C ATOM 493 OH TYR A 31 13.963 6.367 -7.992 1.00 1.06 O ATOM 0 H TYR A 31 14.388 -1.347 -9.871 1.00 0.46 H new ATOM 0 HA TYR A 31 12.362 0.660 -9.472 1.00 0.53 H new ATOM 0 HB2 TYR A 31 14.650 0.312 -8.445 1.00 0.59 H new ATOM 0 HB3 TYR A 31 15.364 0.802 -9.969 1.00 0.59 H new ATOM 0 HD1 TYR A 31 13.209 1.989 -7.163 1.00 0.59 H new ATOM 0 HD2 TYR A 31 15.470 3.022 -10.616 1.00 0.97 H new ATOM 0 HE1 TYR A 31 12.985 4.374 -6.601 1.00 0.72 H new ATOM 0 HE2 TYR A 31 15.254 5.406 -10.056 1.00 1.06 H new ATOM 0 HH TYR A 31 14.429 6.905 -8.666 1.00 1.06 H new ATOM 503 N LYS A 32 13.784 0.863 -12.415 1.00 0.88 N ATOM 504 CA LYS A 32 13.577 1.483 -13.762 1.00 1.05 C ATOM 505 C LYS A 32 12.200 1.053 -14.361 1.00 1.07 C ATOM 506 O LYS A 32 11.453 1.915 -14.788 1.00 1.23 O ATOM 507 CB LYS A 32 14.725 1.031 -14.661 1.00 1.15 C ATOM 508 CG LYS A 32 16.137 1.567 -14.259 1.00 1.82 C ATOM 509 CD LYS A 32 16.341 3.081 -14.578 1.00 1.81 C ATOM 510 CE LYS A 32 15.946 3.982 -13.417 1.00 1.92 C ATOM 511 NZ LYS A 32 16.679 5.284 -13.519 1.00 2.78 N ATOM 0 H LYS A 32 14.584 0.234 -12.343 1.00 0.88 H new ATOM 0 HA LYS A 32 13.567 2.570 -13.682 1.00 1.05 H new ATOM 0 HB2 LYS A 32 14.755 -0.059 -14.664 1.00 1.15 H new ATOM 0 HB3 LYS A 32 14.511 1.347 -15.682 1.00 1.15 H new ATOM 0 HG2 LYS A 32 16.288 1.405 -13.192 1.00 1.82 H new ATOM 0 HG3 LYS A 32 16.899 0.988 -14.781 1.00 1.82 H new ATOM 0 HD2 LYS A 32 17.386 3.258 -14.831 1.00 1.81 H new ATOM 0 HD3 LYS A 32 15.752 3.346 -15.456 1.00 1.81 H new ATOM 0 HE2 LYS A 32 14.870 4.157 -13.429 1.00 1.92 H new ATOM 0 HE3 LYS A 32 16.179 3.495 -12.470 1.00 1.92 H new ATOM 0 HZ1 LYS A 32 16.408 5.898 -12.725 1.00 2.78 H new ATOM 0 HZ2 LYS A 32 17.704 5.109 -13.487 1.00 2.78 H new ATOM 0 HZ3 LYS A 32 16.435 5.750 -14.416 1.00 2.78 H new ATOM 525 N GLN A 33 11.898 -0.226 -14.382 1.00 0.94 N ATOM 526 CA GLN A 33 10.562 -0.681 -14.953 1.00 0.95 C ATOM 527 C GLN A 33 9.378 -0.280 -14.052 1.00 1.04 C ATOM 528 O GLN A 33 8.257 -0.175 -14.513 1.00 1.68 O ATOM 529 CB GLN A 33 10.465 -2.244 -15.145 1.00 1.21 C ATOM 530 CG GLN A 33 11.100 -3.046 -14.000 1.00 1.94 C ATOM 531 CD GLN A 33 10.725 -4.542 -13.967 1.00 3.86 C ATOM 532 OE1 GLN A 33 10.574 -5.212 -14.970 1.00 4.55 O ATOM 533 NE2 GLN A 33 10.559 -5.134 -12.829 1.00 5.84 N ATOM 0 H GLN A 33 12.501 -0.973 -14.037 1.00 0.94 H new ATOM 0 HA GLN A 33 10.507 -0.183 -15.921 1.00 0.95 H new ATOM 0 HB2 GLN A 33 9.416 -2.526 -15.236 1.00 1.21 H new ATOM 0 HB3 GLN A 33 10.951 -2.517 -16.082 1.00 1.21 H new ATOM 0 HG2 GLN A 33 12.184 -2.960 -14.074 1.00 1.94 H new ATOM 0 HG3 GLN A 33 10.808 -2.592 -13.053 1.00 1.94 H new ATOM 0 HE21 GLN A 33 10.675 -4.612 -11.961 1.00 5.84 H new ATOM 0 HE22 GLN A 33 10.312 -6.123 -12.800 1.00 5.84 H new ATOM 542 N ALA A 34 9.678 -0.098 -12.800 1.00 0.63 N ATOM 543 CA ALA A 34 8.699 0.309 -11.734 1.00 0.56 C ATOM 544 C ALA A 34 8.373 1.814 -11.795 1.00 0.58 C ATOM 545 O ALA A 34 7.244 2.196 -11.544 1.00 0.70 O ATOM 546 CB ALA A 34 9.296 -0.012 -10.353 1.00 0.50 C ATOM 0 H ALA A 34 10.625 -0.222 -12.443 1.00 0.63 H new ATOM 0 HA ALA A 34 7.776 -0.246 -11.900 1.00 0.56 H new ATOM 0 HB1 ALA A 34 8.591 0.281 -9.575 1.00 0.50 H new ATOM 0 HB2 ALA A 34 9.492 -1.082 -10.281 1.00 0.50 H new ATOM 0 HB3 ALA A 34 10.228 0.537 -10.223 1.00 0.50 H new ATOM 552 N THR A 35 9.348 2.624 -12.139 1.00 0.50 N ATOM 553 CA THR A 35 9.113 4.116 -12.215 1.00 0.50 C ATOM 554 C THR A 35 8.880 4.619 -13.642 1.00 0.51 C ATOM 555 O THR A 35 7.964 5.381 -13.870 1.00 0.42 O ATOM 556 CB THR A 35 10.324 4.921 -11.670 1.00 0.54 C ATOM 557 OG1 THR A 35 11.406 4.479 -12.468 1.00 0.56 O ATOM 558 CG2 THR A 35 10.745 4.515 -10.268 1.00 0.52 C ATOM 0 H THR A 35 10.295 2.324 -12.371 1.00 0.50 H new ATOM 0 HA THR A 35 8.221 4.275 -11.610 1.00 0.50 H new ATOM 0 HB THR A 35 10.071 5.981 -11.678 1.00 0.54 H new ATOM 0 HG1 THR A 35 11.748 3.631 -12.115 1.00 0.56 H new ATOM 0 HG21 THR A 35 11.596 5.120 -9.954 1.00 0.52 H new ATOM 0 HG22 THR A 35 9.915 4.671 -9.579 1.00 0.52 H new ATOM 0 HG23 THR A 35 11.027 3.462 -10.263 1.00 0.52 H new ATOM 566 N VAL A 36 9.689 4.190 -14.573 1.00 0.62 N ATOM 567 CA VAL A 36 9.529 4.652 -15.995 1.00 0.64 C ATOM 568 C VAL A 36 8.663 3.767 -16.907 1.00 0.67 C ATOM 569 O VAL A 36 7.670 4.219 -17.448 1.00 0.58 O ATOM 570 CB VAL A 36 10.989 4.803 -16.644 1.00 0.78 C ATOM 571 CG1 VAL A 36 10.874 5.367 -18.090 1.00 0.81 C ATOM 572 CG2 VAL A 36 11.840 5.792 -15.821 1.00 0.73 C ATOM 0 H VAL A 36 10.458 3.538 -14.416 1.00 0.62 H new ATOM 0 HA VAL A 36 8.987 5.596 -15.933 1.00 0.64 H new ATOM 0 HB VAL A 36 11.457 3.818 -16.654 1.00 0.78 H new ATOM 0 HG11 VAL A 36 11.870 5.466 -18.522 1.00 0.81 H new ATOM 0 HG12 VAL A 36 10.280 4.686 -18.700 1.00 0.81 H new ATOM 0 HG13 VAL A 36 10.392 6.344 -18.062 1.00 0.81 H new ATOM 0 HG21 VAL A 36 12.828 5.885 -16.272 1.00 0.73 H new ATOM 0 HG22 VAL A 36 11.354 6.767 -15.808 1.00 0.73 H new ATOM 0 HG23 VAL A 36 11.941 5.423 -14.800 1.00 0.73 H new ATOM 582 N GLY A 37 9.085 2.537 -16.999 1.00 0.85 N ATOM 583 CA GLY A 37 8.423 1.476 -17.856 1.00 0.96 C ATOM 584 C GLY A 37 9.390 1.234 -19.026 1.00 0.99 C ATOM 585 O GLY A 37 10.439 0.670 -18.782 1.00 1.00 O ATOM 0 H GLY A 37 9.903 2.195 -16.494 1.00 0.85 H new ATOM 0 HA2 GLY A 37 8.256 0.560 -17.289 1.00 0.96 H new ATOM 0 HA3 GLY A 37 7.449 1.811 -18.214 1.00 0.96 H new ATOM 589 N ASP A 38 9.042 1.636 -20.220 1.00 1.01 N ATOM 590 CA ASP A 38 9.925 1.457 -21.402 1.00 0.97 C ATOM 591 C ASP A 38 11.213 2.313 -21.313 1.00 1.18 C ATOM 592 O ASP A 38 11.299 3.335 -20.653 1.00 1.77 O ATOM 593 CB ASP A 38 9.086 1.834 -22.641 1.00 0.98 C ATOM 594 CG ASP A 38 8.004 0.801 -22.893 1.00 1.11 C ATOM 595 OD1 ASP A 38 6.968 0.977 -22.277 1.00 1.08 O ATOM 596 OD2 ASP A 38 8.300 -0.086 -23.685 1.00 2.14 O ATOM 0 H ASP A 38 8.155 2.094 -20.427 1.00 1.01 H new ATOM 0 HA ASP A 38 10.270 0.425 -21.458 1.00 0.97 H new ATOM 0 HB2 ASP A 38 8.632 2.814 -22.494 1.00 0.98 H new ATOM 0 HB3 ASP A 38 9.733 1.910 -23.515 1.00 0.98 H new ATOM 601 N ILE A 39 12.184 1.842 -22.037 1.00 0.87 N ATOM 602 CA ILE A 39 13.526 2.493 -22.103 1.00 1.16 C ATOM 603 C ILE A 39 13.557 3.149 -23.493 1.00 1.82 C ATOM 604 O ILE A 39 13.388 2.472 -24.487 1.00 2.10 O ATOM 605 CB ILE A 39 14.578 1.345 -21.890 1.00 0.63 C ATOM 606 CG1 ILE A 39 16.026 1.893 -21.848 1.00 0.94 C ATOM 607 CG2 ILE A 39 14.478 0.295 -23.015 1.00 0.68 C ATOM 608 CD1 ILE A 39 16.960 0.746 -21.373 1.00 0.59 C ATOM 0 H ILE A 39 12.103 1.001 -22.608 1.00 0.87 H new ATOM 0 HA ILE A 39 13.742 3.256 -21.355 1.00 1.16 H new ATOM 0 HB ILE A 39 14.348 0.883 -20.930 1.00 0.63 H new ATOM 0 HG12 ILE A 39 16.328 2.247 -22.834 1.00 0.94 H new ATOM 0 HG13 ILE A 39 16.092 2.744 -21.170 1.00 0.94 H new ATOM 0 HG21 ILE A 39 15.215 -0.490 -22.847 1.00 0.68 H new ATOM 0 HG22 ILE A 39 13.479 -0.141 -23.018 1.00 0.68 H new ATOM 0 HG23 ILE A 39 14.669 0.772 -23.976 1.00 0.68 H new ATOM 0 HD11 ILE A 39 17.988 1.106 -21.335 1.00 0.59 H new ATOM 0 HD12 ILE A 39 16.654 0.415 -20.381 1.00 0.59 H new ATOM 0 HD13 ILE A 39 16.894 -0.089 -22.070 1.00 0.59 H new ATOM 620 N ASN A 40 13.756 4.439 -23.565 1.00 2.46 N ATOM 621 CA ASN A 40 13.783 5.088 -24.923 1.00 3.38 C ATOM 622 C ASN A 40 15.069 5.919 -25.162 1.00 3.71 C ATOM 623 O ASN A 40 15.104 6.879 -25.910 1.00 4.73 O ATOM 624 CB ASN A 40 12.489 5.932 -24.996 1.00 4.13 C ATOM 625 CG ASN A 40 11.284 5.031 -24.719 1.00 5.94 C ATOM 626 OD1 ASN A 40 11.008 4.072 -25.399 1.00 7.70 O ATOM 627 ND2 ASN A 40 10.509 5.277 -23.718 1.00 5.73 N ATOM 0 H ASN A 40 13.898 5.063 -22.770 1.00 2.46 H new ATOM 0 HA ASN A 40 13.811 4.346 -25.721 1.00 3.38 H new ATOM 0 HB2 ASN A 40 12.527 6.742 -24.268 1.00 4.13 H new ATOM 0 HB3 ASN A 40 12.396 6.392 -25.980 1.00 4.13 H new ATOM 0 HD21 ASN A 40 9.708 4.673 -23.533 1.00 5.73 H new ATOM 0 HD22 ASN A 40 10.697 6.075 -23.111 1.00 5.73 H new ATOM 634 N THR A 41 16.106 5.498 -24.492 1.00 2.84 N ATOM 635 CA THR A 41 17.447 6.174 -24.606 1.00 3.08 C ATOM 636 C THR A 41 18.324 5.268 -25.492 1.00 2.89 C ATOM 637 O THR A 41 17.809 4.291 -26.006 1.00 2.60 O ATOM 638 CB THR A 41 18.097 6.310 -23.203 1.00 3.11 C ATOM 639 OG1 THR A 41 18.286 4.967 -22.785 1.00 2.70 O ATOM 640 CG2 THR A 41 17.101 6.797 -22.118 1.00 3.27 C ATOM 0 H THR A 41 16.088 4.700 -23.857 1.00 2.84 H new ATOM 0 HA THR A 41 17.345 7.172 -25.032 1.00 3.08 H new ATOM 0 HB THR A 41 18.956 6.976 -23.286 1.00 3.11 H new ATOM 0 HG1 THR A 41 18.699 4.956 -21.896 1.00 2.70 H new ATOM 0 HG21 THR A 41 17.615 6.872 -21.160 1.00 3.27 H new ATOM 0 HG22 THR A 41 16.709 7.775 -22.397 1.00 3.27 H new ATOM 0 HG23 THR A 41 16.279 6.087 -22.034 1.00 3.27 H new ATOM 648 N GLU A 42 19.583 5.565 -25.673 1.00 3.14 N ATOM 649 CA GLU A 42 20.401 4.659 -26.541 1.00 3.09 C ATOM 650 C GLU A 42 21.448 3.872 -25.708 1.00 2.80 C ATOM 651 O GLU A 42 22.046 4.351 -24.765 1.00 3.04 O ATOM 652 CB GLU A 42 21.075 5.547 -27.615 1.00 3.84 C ATOM 653 CG GLU A 42 22.365 6.139 -27.019 1.00 4.28 C ATOM 654 CD GLU A 42 22.951 7.263 -27.875 1.00 4.99 C ATOM 655 OE1 GLU A 42 22.250 8.251 -28.028 1.00 5.19 O ATOM 656 OE2 GLU A 42 24.066 7.061 -28.318 1.00 5.58 O ATOM 0 H GLU A 42 20.071 6.367 -25.274 1.00 3.14 H new ATOM 0 HA GLU A 42 19.770 3.907 -27.014 1.00 3.09 H new ATOM 0 HB2 GLU A 42 21.303 4.959 -28.504 1.00 3.84 H new ATOM 0 HB3 GLU A 42 20.400 6.345 -27.925 1.00 3.84 H new ATOM 0 HG2 GLU A 42 22.156 6.521 -26.019 1.00 4.28 H new ATOM 0 HG3 GLU A 42 23.106 5.347 -26.910 1.00 4.28 H new ATOM 663 N ARG A 43 21.601 2.649 -26.100 1.00 2.61 N ATOM 664 CA ARG A 43 22.553 1.674 -25.474 1.00 2.28 C ATOM 665 C ARG A 43 24.038 2.159 -25.385 1.00 2.32 C ATOM 666 O ARG A 43 24.713 2.175 -26.395 1.00 2.32 O ATOM 667 CB ARG A 43 22.403 0.399 -26.308 1.00 2.01 C ATOM 668 CG ARG A 43 23.199 -0.765 -25.709 1.00 1.67 C ATOM 669 CD ARG A 43 23.059 -1.900 -26.700 1.00 1.52 C ATOM 670 NE ARG A 43 23.798 -3.063 -26.132 1.00 1.32 N ATOM 671 CZ ARG A 43 23.241 -4.208 -26.090 1.00 1.18 C ATOM 672 NH1 ARG A 43 23.268 -4.940 -27.127 1.00 2.86 N ATOM 673 NH2 ARG A 43 22.702 -4.520 -25.001 1.00 2.03 N ATOM 0 H ARG A 43 21.075 2.252 -26.878 1.00 2.61 H new ATOM 0 HA ARG A 43 22.302 1.526 -24.424 1.00 2.28 H new ATOM 0 HB2 ARG A 43 21.350 0.126 -26.370 1.00 2.01 H new ATOM 0 HB3 ARG A 43 22.744 0.588 -27.326 1.00 2.01 H new ATOM 0 HG2 ARG A 43 24.245 -0.494 -25.568 1.00 1.67 H new ATOM 0 HG3 ARG A 43 22.808 -1.047 -24.731 1.00 1.67 H new ATOM 0 HD2 ARG A 43 22.009 -2.149 -26.857 1.00 1.52 H new ATOM 0 HD3 ARG A 43 23.468 -1.619 -27.670 1.00 1.52 H new ATOM 0 HE ARG A 43 24.747 -2.943 -25.778 1.00 1.32 H new ATOM 0 HH11 ARG A 43 23.730 -4.608 -27.974 1.00 2.86 H new ATOM 0 HH12 ARG A 43 22.828 -5.860 -27.113 1.00 2.86 H new ATOM 0 HH21 ARG A 43 22.727 -3.870 -24.215 1.00 2.03 H new ATOM 0 HH22 ARG A 43 22.239 -5.423 -24.902 1.00 2.03 H new ATOM 687 N PRO A 44 24.516 2.532 -24.207 1.00 2.34 N ATOM 688 CA PRO A 44 25.927 3.020 -23.980 1.00 2.36 C ATOM 689 C PRO A 44 27.161 2.257 -24.569 1.00 2.31 C ATOM 690 O PRO A 44 27.087 1.149 -25.065 1.00 2.53 O ATOM 691 CB PRO A 44 25.996 3.150 -22.430 1.00 2.35 C ATOM 692 CG PRO A 44 24.529 3.544 -22.088 1.00 2.44 C ATOM 693 CD PRO A 44 23.728 2.544 -22.932 1.00 2.37 C ATOM 0 HA PRO A 44 26.055 3.930 -24.567 1.00 2.36 H new ATOM 0 HB2 PRO A 44 26.292 2.216 -21.952 1.00 2.35 H new ATOM 0 HB3 PRO A 44 26.710 3.910 -22.113 1.00 2.35 H new ATOM 0 HG2 PRO A 44 24.316 3.443 -21.024 1.00 2.44 H new ATOM 0 HG3 PRO A 44 24.309 4.576 -22.360 1.00 2.44 H new ATOM 0 HD2 PRO A 44 23.683 1.559 -22.468 1.00 2.37 H new ATOM 0 HD3 PRO A 44 22.700 2.870 -23.088 1.00 2.37 H new ATOM 701 N GLY A 45 28.289 2.920 -24.475 1.00 2.01 N ATOM 702 CA GLY A 45 29.604 2.361 -24.978 1.00 1.93 C ATOM 703 C GLY A 45 30.642 2.296 -23.847 1.00 1.94 C ATOM 704 O GLY A 45 30.858 1.252 -23.274 1.00 2.06 O ATOM 0 H GLY A 45 28.364 3.849 -24.061 1.00 2.01 H new ATOM 0 HA2 GLY A 45 29.446 1.364 -25.389 1.00 1.93 H new ATOM 0 HA3 GLY A 45 29.982 2.984 -25.788 1.00 1.93 H new ATOM 708 N MET A 46 31.235 3.428 -23.572 1.00 2.31 N ATOM 709 CA MET A 46 32.283 3.608 -22.500 1.00 2.42 C ATOM 710 C MET A 46 32.369 2.571 -21.339 1.00 2.39 C ATOM 711 O MET A 46 33.293 1.789 -21.286 1.00 2.36 O ATOM 712 CB MET A 46 32.068 5.051 -21.950 1.00 2.97 C ATOM 713 CG MET A 46 32.475 6.073 -23.030 1.00 2.80 C ATOM 714 SD MET A 46 31.829 7.757 -22.875 1.00 2.69 S ATOM 715 CE MET A 46 30.504 7.661 -24.109 1.00 3.64 C ATOM 0 H MET A 46 31.027 4.291 -24.074 1.00 2.31 H new ATOM 0 HA MET A 46 33.246 3.433 -22.980 1.00 2.42 H new ATOM 0 HB2 MET A 46 31.024 5.195 -21.672 1.00 2.97 H new ATOM 0 HB3 MET A 46 32.662 5.201 -21.048 1.00 2.97 H new ATOM 0 HG2 MET A 46 33.563 6.131 -23.045 1.00 2.80 H new ATOM 0 HG3 MET A 46 32.163 5.681 -23.998 1.00 2.80 H new ATOM 0 HE1 MET A 46 29.984 8.617 -24.159 1.00 3.64 H new ATOM 0 HE2 MET A 46 30.931 7.429 -25.084 1.00 3.64 H new ATOM 0 HE3 MET A 46 29.799 6.879 -23.826 1.00 3.64 H new ATOM 725 N LEU A 47 31.433 2.569 -20.423 1.00 2.36 N ATOM 726 CA LEU A 47 31.505 1.568 -19.288 1.00 2.30 C ATOM 727 C LEU A 47 31.019 0.142 -19.658 1.00 1.83 C ATOM 728 O LEU A 47 31.768 -0.567 -20.286 1.00 2.22 O ATOM 729 CB LEU A 47 30.673 2.179 -18.099 1.00 2.47 C ATOM 730 CG LEU A 47 31.426 3.284 -17.290 1.00 3.03 C ATOM 731 CD1 LEU A 47 32.465 2.640 -16.333 1.00 3.16 C ATOM 732 CD2 LEU A 47 32.169 4.264 -18.226 1.00 3.14 C ATOM 0 H LEU A 47 30.632 3.200 -20.401 1.00 2.36 H new ATOM 0 HA LEU A 47 32.549 1.416 -19.015 1.00 2.30 H new ATOM 0 HB2 LEU A 47 29.750 2.601 -18.496 1.00 2.47 H new ATOM 0 HB3 LEU A 47 30.390 1.376 -17.418 1.00 2.47 H new ATOM 0 HG LEU A 47 30.675 3.832 -16.721 1.00 3.03 H new ATOM 0 HD11 LEU A 47 32.981 3.422 -15.777 1.00 3.16 H new ATOM 0 HD12 LEU A 47 31.955 1.975 -15.636 1.00 3.16 H new ATOM 0 HD13 LEU A 47 33.190 2.069 -16.914 1.00 3.16 H new ATOM 0 HD21 LEU A 47 32.681 5.019 -17.630 1.00 3.14 H new ATOM 0 HD22 LEU A 47 32.899 3.716 -18.822 1.00 3.14 H new ATOM 0 HD23 LEU A 47 31.452 4.750 -18.888 1.00 3.14 H new ATOM 744 N ASP A 48 29.824 -0.223 -19.268 1.00 1.20 N ATOM 745 CA ASP A 48 29.148 -1.557 -19.518 1.00 0.82 C ATOM 746 C ASP A 48 28.531 -2.066 -18.199 1.00 1.13 C ATOM 747 O ASP A 48 27.378 -1.774 -17.939 1.00 1.64 O ATOM 748 CB ASP A 48 30.157 -2.695 -20.061 1.00 0.90 C ATOM 749 CG ASP A 48 29.382 -3.886 -20.615 1.00 2.75 C ATOM 750 OD1 ASP A 48 28.295 -4.145 -20.135 1.00 4.36 O ATOM 751 OD2 ASP A 48 29.896 -4.504 -21.526 1.00 3.74 O ATOM 0 H ASP A 48 29.228 0.409 -18.734 1.00 1.20 H new ATOM 0 HA ASP A 48 28.395 -1.383 -20.286 1.00 0.82 H new ATOM 0 HB2 ASP A 48 30.797 -2.279 -20.839 1.00 0.90 H new ATOM 0 HB3 ASP A 48 30.810 -3.024 -19.253 1.00 0.90 H new ATOM 756 N PHE A 49 29.289 -2.791 -17.411 1.00 0.96 N ATOM 757 CA PHE A 49 28.778 -3.322 -16.102 1.00 1.26 C ATOM 758 C PHE A 49 28.044 -2.179 -15.382 1.00 1.30 C ATOM 759 O PHE A 49 26.989 -2.311 -14.799 1.00 1.44 O ATOM 760 CB PHE A 49 30.009 -3.860 -15.296 1.00 1.44 C ATOM 761 CG PHE A 49 30.625 -2.799 -14.372 1.00 1.67 C ATOM 762 CD1 PHE A 49 31.544 -1.898 -14.863 1.00 2.28 C ATOM 763 CD2 PHE A 49 30.251 -2.730 -13.042 1.00 1.45 C ATOM 764 CE1 PHE A 49 32.087 -0.937 -14.042 1.00 2.64 C ATOM 765 CE2 PHE A 49 30.793 -1.772 -12.214 1.00 1.70 C ATOM 766 CZ PHE A 49 31.712 -0.874 -12.717 1.00 2.31 C ATOM 0 H PHE A 49 30.255 -3.042 -17.621 1.00 0.96 H new ATOM 0 HA PHE A 49 28.071 -4.143 -16.223 1.00 1.26 H new ATOM 0 HB2 PHE A 49 29.700 -4.719 -14.700 1.00 1.44 H new ATOM 0 HB3 PHE A 49 30.768 -4.213 -15.994 1.00 1.44 H new ATOM 0 HD1 PHE A 49 31.840 -1.946 -15.900 1.00 2.28 H new ATOM 0 HD2 PHE A 49 29.529 -3.432 -12.650 1.00 1.45 H new ATOM 0 HE1 PHE A 49 32.806 -0.233 -14.435 1.00 2.64 H new ATOM 0 HE2 PHE A 49 30.500 -1.724 -11.176 1.00 1.70 H new ATOM 0 HZ PHE A 49 32.138 -0.120 -12.071 1.00 2.31 H new ATOM 776 N LYS A 50 28.673 -1.044 -15.472 1.00 1.20 N ATOM 777 CA LYS A 50 28.133 0.195 -14.851 1.00 1.35 C ATOM 778 C LYS A 50 27.236 0.989 -15.798 1.00 1.18 C ATOM 779 O LYS A 50 26.535 1.859 -15.340 1.00 1.17 O ATOM 780 CB LYS A 50 29.320 1.084 -14.385 1.00 1.57 C ATOM 781 CG LYS A 50 28.753 2.399 -13.758 1.00 2.38 C ATOM 782 CD LYS A 50 29.800 3.183 -12.914 1.00 2.10 C ATOM 783 CE LYS A 50 30.511 2.262 -11.926 1.00 1.60 C ATOM 784 NZ LYS A 50 29.474 1.459 -11.206 1.00 2.89 N ATOM 0 H LYS A 50 29.559 -0.920 -15.961 1.00 1.20 H new ATOM 0 HA LYS A 50 27.514 -0.102 -14.004 1.00 1.35 H new ATOM 0 HB2 LYS A 50 29.927 0.549 -13.654 1.00 1.57 H new ATOM 0 HB3 LYS A 50 29.969 1.318 -15.229 1.00 1.57 H new ATOM 0 HG2 LYS A 50 28.384 3.044 -14.556 1.00 2.38 H new ATOM 0 HG3 LYS A 50 27.899 2.153 -13.127 1.00 2.38 H new ATOM 0 HD2 LYS A 50 30.532 3.646 -13.576 1.00 2.10 H new ATOM 0 HD3 LYS A 50 29.305 3.989 -12.373 1.00 2.10 H new ATOM 0 HE2 LYS A 50 31.204 1.605 -12.451 1.00 1.60 H new ATOM 0 HE3 LYS A 50 31.099 2.846 -11.218 1.00 1.60 H new ATOM 0 HZ1 LYS A 50 29.828 1.202 -10.262 1.00 2.89 H new ATOM 0 HZ2 LYS A 50 28.605 2.022 -11.109 1.00 2.89 H new ATOM 0 HZ3 LYS A 50 29.268 0.594 -11.746 1.00 2.89 H new ATOM 798 N GLY A 51 27.301 0.700 -17.057 1.00 1.20 N ATOM 799 CA GLY A 51 26.476 1.388 -18.114 1.00 1.15 C ATOM 800 C GLY A 51 25.574 0.412 -18.896 1.00 0.86 C ATOM 801 O GLY A 51 24.433 0.240 -18.529 1.00 0.45 O ATOM 0 H GLY A 51 27.920 -0.020 -17.429 1.00 1.20 H new ATOM 0 HA2 GLY A 51 25.856 2.152 -17.645 1.00 1.15 H new ATOM 0 HA3 GLY A 51 27.140 1.900 -18.811 1.00 1.15 H new ATOM 805 N LYS A 52 26.040 -0.220 -19.945 1.00 1.17 N ATOM 806 CA LYS A 52 25.148 -1.178 -20.711 1.00 1.01 C ATOM 807 C LYS A 52 24.238 -2.086 -19.848 1.00 1.11 C ATOM 808 O LYS A 52 23.084 -2.288 -20.154 1.00 1.12 O ATOM 809 CB LYS A 52 26.058 -2.000 -21.551 1.00 0.88 C ATOM 810 CG LYS A 52 26.735 -1.105 -22.605 1.00 0.89 C ATOM 811 CD LYS A 52 28.105 -1.685 -22.934 1.00 1.25 C ATOM 812 CE LYS A 52 28.093 -3.105 -23.565 1.00 0.87 C ATOM 813 NZ LYS A 52 27.517 -4.149 -22.644 1.00 3.61 N ATOM 0 H LYS A 52 26.988 -0.123 -20.310 1.00 1.17 H new ATOM 0 HA LYS A 52 24.436 -0.588 -21.289 1.00 1.01 H new ATOM 0 HB2 LYS A 52 26.812 -2.479 -20.927 1.00 0.88 H new ATOM 0 HB3 LYS A 52 25.497 -2.796 -22.041 1.00 0.88 H new ATOM 0 HG2 LYS A 52 26.122 -1.051 -23.505 1.00 0.89 H new ATOM 0 HG3 LYS A 52 26.837 -0.088 -22.227 1.00 0.89 H new ATOM 0 HD2 LYS A 52 28.614 -1.006 -23.618 1.00 1.25 H new ATOM 0 HD3 LYS A 52 28.696 -1.717 -22.019 1.00 1.25 H new ATOM 0 HE2 LYS A 52 27.514 -3.082 -24.488 1.00 0.87 H new ATOM 0 HE3 LYS A 52 29.111 -3.387 -23.834 1.00 0.87 H new ATOM 0 HZ1 LYS A 52 28.122 -4.995 -22.657 1.00 3.61 H new ATOM 0 HZ2 LYS A 52 27.471 -3.771 -21.676 1.00 3.61 H new ATOM 0 HZ3 LYS A 52 26.560 -4.403 -22.962 1.00 3.61 H new ATOM 827 N ALA A 53 24.826 -2.558 -18.783 1.00 1.37 N ATOM 828 CA ALA A 53 24.126 -3.452 -17.836 1.00 1.44 C ATOM 829 C ALA A 53 22.848 -2.711 -17.395 1.00 1.57 C ATOM 830 O ALA A 53 21.771 -3.254 -17.447 1.00 1.39 O ATOM 831 CB ALA A 53 25.079 -3.717 -16.658 1.00 1.72 C ATOM 0 H ALA A 53 25.792 -2.351 -18.529 1.00 1.37 H new ATOM 0 HA ALA A 53 23.848 -4.413 -18.269 1.00 1.44 H new ATOM 0 HB1 ALA A 53 24.593 -4.375 -15.938 1.00 1.72 H new ATOM 0 HB2 ALA A 53 25.989 -4.191 -17.026 1.00 1.72 H new ATOM 0 HB3 ALA A 53 25.331 -2.773 -16.174 1.00 1.72 H new ATOM 837 N LYS A 54 23.026 -1.475 -16.985 1.00 1.92 N ATOM 838 CA LYS A 54 21.871 -0.650 -16.538 1.00 2.15 C ATOM 839 C LYS A 54 20.893 -0.434 -17.688 1.00 1.90 C ATOM 840 O LYS A 54 19.771 -0.030 -17.457 1.00 2.01 O ATOM 841 CB LYS A 54 22.412 0.673 -16.034 1.00 2.58 C ATOM 842 CG LYS A 54 23.218 0.389 -14.761 1.00 1.12 C ATOM 843 CD LYS A 54 23.947 1.650 -14.292 1.00 1.30 C ATOM 844 CE LYS A 54 23.002 2.684 -13.601 1.00 1.35 C ATOM 845 NZ LYS A 54 22.284 3.450 -14.658 1.00 1.37 N ATOM 0 H LYS A 54 23.931 -1.005 -16.943 1.00 1.92 H new ATOM 0 HA LYS A 54 21.328 -1.158 -15.741 1.00 2.15 H new ATOM 0 HB2 LYS A 54 23.042 1.142 -16.790 1.00 2.58 H new ATOM 0 HB3 LYS A 54 21.597 1.365 -15.825 1.00 2.58 H new ATOM 0 HG2 LYS A 54 22.552 0.034 -13.974 1.00 1.12 H new ATOM 0 HG3 LYS A 54 23.940 -0.405 -14.951 1.00 1.12 H new ATOM 0 HD2 LYS A 54 24.737 1.368 -13.596 1.00 1.30 H new ATOM 0 HD3 LYS A 54 24.429 2.123 -15.148 1.00 1.30 H new ATOM 0 HE2 LYS A 54 22.289 2.172 -12.954 1.00 1.35 H new ATOM 0 HE3 LYS A 54 23.578 3.360 -12.969 1.00 1.35 H new ATOM 0 HZ1 LYS A 54 22.354 4.468 -14.457 1.00 1.37 H new ATOM 0 HZ2 LYS A 54 22.713 3.249 -15.584 1.00 1.37 H new ATOM 0 HZ3 LYS A 54 21.283 3.168 -14.672 1.00 1.37 H new ATOM 859 N TRP A 55 21.300 -0.680 -18.907 1.00 1.65 N ATOM 860 CA TRP A 55 20.361 -0.491 -20.043 1.00 1.48 C ATOM 861 C TRP A 55 19.850 -1.944 -20.092 1.00 0.77 C ATOM 862 O TRP A 55 18.758 -2.198 -19.628 1.00 0.17 O ATOM 863 CB TRP A 55 21.200 -0.066 -21.280 1.00 1.62 C ATOM 864 CG TRP A 55 20.319 0.793 -22.199 1.00 1.67 C ATOM 865 CD1 TRP A 55 20.039 2.109 -21.977 1.00 1.84 C ATOM 866 CD2 TRP A 55 19.685 0.389 -23.320 1.00 1.58 C ATOM 867 NE1 TRP A 55 19.244 2.425 -22.987 1.00 1.84 N ATOM 868 CE2 TRP A 55 18.968 1.459 -23.856 1.00 1.70 C ATOM 869 CE3 TRP A 55 19.661 -0.859 -23.949 1.00 1.39 C ATOM 870 CZ2 TRP A 55 18.231 1.281 -25.024 1.00 1.69 C ATOM 871 CZ3 TRP A 55 18.923 -1.032 -25.117 1.00 1.36 C ATOM 872 CH2 TRP A 55 18.205 0.037 -25.657 1.00 1.53 C ATOM 0 H TRP A 55 22.235 -1.001 -19.159 1.00 1.65 H new ATOM 0 HA TRP A 55 19.571 0.258 -19.983 1.00 1.48 H new ATOM 0 HB2 TRP A 55 22.079 0.496 -20.965 1.00 1.62 H new ATOM 0 HB3 TRP A 55 21.559 -0.946 -21.814 1.00 1.62 H new ATOM 0 HD1 TRP A 55 20.383 2.741 -21.172 1.00 1.84 H new ATOM 0 HE1 TRP A 55 18.862 3.365 -23.093 1.00 1.84 H new ATOM 0 HE3 TRP A 55 20.214 -1.687 -23.530 1.00 1.39 H new ATOM 0 HZ2 TRP A 55 17.677 2.109 -25.442 1.00 1.69 H new ATOM 0 HZ3 TRP A 55 18.906 -1.995 -25.606 1.00 1.36 H new ATOM 0 HH2 TRP A 55 17.631 -0.098 -26.562 1.00 1.53 H new ATOM 883 N ASP A 56 20.608 -2.862 -20.630 1.00 1.05 N ATOM 884 CA ASP A 56 20.214 -4.290 -20.707 1.00 0.50 C ATOM 885 C ASP A 56 19.269 -4.749 -19.554 1.00 0.46 C ATOM 886 O ASP A 56 18.092 -4.991 -19.743 1.00 0.39 O ATOM 887 CB ASP A 56 21.597 -4.990 -20.762 1.00 0.47 C ATOM 888 CG ASP A 56 22.187 -4.894 -22.166 1.00 0.39 C ATOM 889 OD1 ASP A 56 22.800 -3.870 -22.439 1.00 2.04 O ATOM 890 OD2 ASP A 56 22.011 -5.828 -22.930 1.00 2.05 O ATOM 0 H ASP A 56 21.523 -2.665 -21.035 1.00 1.05 H new ATOM 0 HA ASP A 56 19.588 -4.536 -21.565 1.00 0.50 H new ATOM 0 HB2 ASP A 56 22.274 -4.528 -20.044 1.00 0.47 H new ATOM 0 HB3 ASP A 56 21.494 -6.036 -20.475 1.00 0.47 H new ATOM 895 N ALA A 57 19.843 -4.819 -18.379 1.00 0.53 N ATOM 896 CA ALA A 57 19.106 -5.242 -17.138 1.00 0.54 C ATOM 897 C ALA A 57 17.639 -4.726 -17.106 1.00 0.37 C ATOM 898 O ALA A 57 16.747 -5.405 -16.644 1.00 0.44 O ATOM 899 CB ALA A 57 19.923 -4.730 -15.930 1.00 0.63 C ATOM 0 H ALA A 57 20.825 -4.594 -18.220 1.00 0.53 H new ATOM 0 HA ALA A 57 19.019 -6.328 -17.112 1.00 0.54 H new ATOM 0 HB1 ALA A 57 19.423 -5.016 -15.005 1.00 0.63 H new ATOM 0 HB2 ALA A 57 20.921 -5.169 -15.953 1.00 0.63 H new ATOM 0 HB3 ALA A 57 20.003 -3.644 -15.979 1.00 0.63 H new ATOM 905 N TRP A 58 17.447 -3.529 -17.603 1.00 0.25 N ATOM 906 CA TRP A 58 16.080 -2.880 -17.661 1.00 0.13 C ATOM 907 C TRP A 58 15.428 -3.017 -19.086 1.00 0.19 C ATOM 908 O TRP A 58 14.228 -3.145 -19.242 1.00 0.19 O ATOM 909 CB TRP A 58 16.222 -1.363 -17.237 1.00 0.17 C ATOM 910 CG TRP A 58 14.917 -0.588 -17.558 1.00 0.36 C ATOM 911 CD1 TRP A 58 13.654 -1.114 -17.531 1.00 0.37 C ATOM 912 CD2 TRP A 58 14.844 0.703 -17.953 1.00 0.73 C ATOM 913 NE1 TRP A 58 12.899 -0.100 -17.925 1.00 0.76 N ATOM 914 CE2 TRP A 58 13.521 1.028 -18.198 1.00 1.00 C ATOM 915 CE3 TRP A 58 15.828 1.671 -18.130 1.00 0.90 C ATOM 916 CZ2 TRP A 58 13.164 2.300 -18.625 1.00 1.43 C ATOM 917 CZ3 TRP A 58 15.477 2.959 -18.562 1.00 1.33 C ATOM 918 CH2 TRP A 58 14.145 3.279 -18.811 1.00 1.60 C ATOM 0 H TRP A 58 18.196 -2.951 -17.984 1.00 0.25 H new ATOM 0 HA TRP A 58 15.412 -3.392 -16.968 1.00 0.13 H new ATOM 0 HB2 TRP A 58 16.440 -1.295 -16.171 1.00 0.17 H new ATOM 0 HB3 TRP A 58 17.061 -0.909 -17.763 1.00 0.17 H new ATOM 0 HD1 TRP A 58 13.348 -2.112 -17.256 1.00 0.37 H new ATOM 0 HE1 TRP A 58 11.887 -0.188 -18.013 1.00 0.76 H new ATOM 0 HE3 TRP A 58 16.863 1.431 -17.935 1.00 0.90 H new ATOM 0 HZ2 TRP A 58 12.127 2.534 -18.814 1.00 1.43 H new ATOM 0 HZ3 TRP A 58 16.244 3.706 -18.702 1.00 1.33 H new ATOM 0 HH2 TRP A 58 13.873 4.270 -19.143 1.00 1.60 H new ATOM 929 N ASN A 59 16.234 -3.025 -20.104 1.00 0.21 N ATOM 930 CA ASN A 59 15.718 -3.135 -21.521 1.00 0.27 C ATOM 931 C ASN A 59 14.999 -4.488 -21.612 1.00 0.45 C ATOM 932 O ASN A 59 13.931 -4.641 -22.177 1.00 0.50 O ATOM 933 CB ASN A 59 16.876 -3.113 -22.543 1.00 0.50 C ATOM 934 CG ASN A 59 16.238 -3.288 -23.924 1.00 0.65 C ATOM 935 OD1 ASN A 59 15.640 -2.387 -24.474 1.00 0.86 O ATOM 936 ND2 ASN A 59 16.325 -4.434 -24.512 1.00 1.17 N ATOM 0 H ASN A 59 17.249 -2.960 -20.028 1.00 0.21 H new ATOM 0 HA ASN A 59 15.061 -2.296 -21.749 1.00 0.27 H new ATOM 0 HB2 ASN A 59 17.426 -2.174 -22.486 1.00 0.50 H new ATOM 0 HB3 ASN A 59 17.588 -3.913 -22.340 1.00 0.50 H new ATOM 0 HD21 ASN A 59 15.894 -4.572 -25.426 1.00 1.17 H new ATOM 0 HD22 ASN A 59 16.824 -5.201 -24.062 1.00 1.17 H new ATOM 943 N GLU A 60 15.645 -5.443 -21.007 1.00 0.55 N ATOM 944 CA GLU A 60 15.131 -6.835 -20.966 1.00 0.84 C ATOM 945 C GLU A 60 13.749 -6.901 -20.290 1.00 0.84 C ATOM 946 O GLU A 60 13.038 -7.876 -20.430 1.00 1.06 O ATOM 947 CB GLU A 60 16.193 -7.687 -20.217 1.00 1.10 C ATOM 948 CG GLU A 60 17.301 -8.194 -21.212 1.00 3.08 C ATOM 949 CD GLU A 60 18.161 -7.094 -21.853 1.00 5.51 C ATOM 950 OE1 GLU A 60 17.658 -6.417 -22.745 1.00 6.33 O ATOM 951 OE2 GLU A 60 19.290 -7.011 -21.402 1.00 7.05 O ATOM 0 H GLU A 60 16.534 -5.310 -20.526 1.00 0.55 H new ATOM 0 HA GLU A 60 14.982 -7.226 -21.973 1.00 0.84 H new ATOM 0 HB2 GLU A 60 16.651 -7.093 -19.426 1.00 1.10 H new ATOM 0 HB3 GLU A 60 15.711 -8.539 -19.737 1.00 1.10 H new ATOM 0 HG2 GLU A 60 17.958 -8.881 -20.679 1.00 3.08 H new ATOM 0 HG3 GLU A 60 16.819 -8.765 -22.006 1.00 3.08 H new ATOM 958 N LEU A 61 13.416 -5.859 -19.572 1.00 0.65 N ATOM 959 CA LEU A 61 12.099 -5.767 -18.849 1.00 0.78 C ATOM 960 C LEU A 61 11.272 -4.581 -19.405 1.00 0.65 C ATOM 961 O LEU A 61 10.181 -4.292 -18.950 1.00 0.97 O ATOM 962 CB LEU A 61 12.310 -5.512 -17.333 1.00 0.89 C ATOM 963 CG LEU A 61 13.569 -6.140 -16.717 1.00 0.91 C ATOM 964 CD1 LEU A 61 13.537 -5.794 -15.220 1.00 0.98 C ATOM 965 CD2 LEU A 61 13.535 -7.663 -16.846 1.00 1.22 C ATOM 0 H LEU A 61 14.015 -5.043 -19.450 1.00 0.65 H new ATOM 0 HA LEU A 61 11.579 -6.713 -18.999 1.00 0.78 H new ATOM 0 HB2 LEU A 61 12.346 -4.435 -17.167 1.00 0.89 H new ATOM 0 HB3 LEU A 61 11.439 -5.889 -16.796 1.00 0.89 H new ATOM 0 HG LEU A 61 14.460 -5.766 -17.222 1.00 0.91 H new ATOM 0 HD11 LEU A 61 14.413 -6.218 -14.730 1.00 0.98 H new ATOM 0 HD12 LEU A 61 13.540 -4.711 -15.097 1.00 0.98 H new ATOM 0 HD13 LEU A 61 12.634 -6.207 -14.770 1.00 0.98 H new ATOM 0 HD21 LEU A 61 14.437 -8.086 -16.403 1.00 1.22 H new ATOM 0 HD22 LEU A 61 12.659 -8.053 -16.328 1.00 1.22 H new ATOM 0 HD23 LEU A 61 13.485 -7.938 -17.900 1.00 1.22 H new ATOM 977 N LYS A 62 11.825 -3.925 -20.380 1.00 0.34 N ATOM 978 CA LYS A 62 11.192 -2.747 -21.045 1.00 0.29 C ATOM 979 C LYS A 62 9.676 -2.581 -21.095 1.00 0.41 C ATOM 980 O LYS A 62 9.220 -1.463 -21.087 1.00 0.79 O ATOM 981 CB LYS A 62 11.819 -2.711 -22.475 1.00 0.21 C ATOM 982 CG LYS A 62 11.281 -1.521 -23.245 1.00 0.31 C ATOM 983 CD LYS A 62 11.877 -1.470 -24.686 1.00 1.61 C ATOM 984 CE LYS A 62 10.833 -0.828 -25.571 1.00 1.24 C ATOM 985 NZ LYS A 62 9.666 -1.746 -25.459 1.00 2.38 N ATOM 0 H LYS A 62 12.738 -4.168 -20.765 1.00 0.34 H new ATOM 0 HA LYS A 62 11.409 -1.899 -20.396 1.00 0.29 H new ATOM 0 HB2 LYS A 62 12.905 -2.648 -22.404 1.00 0.21 H new ATOM 0 HB3 LYS A 62 11.587 -3.634 -23.006 1.00 0.21 H new ATOM 0 HG2 LYS A 62 10.194 -1.580 -23.299 1.00 0.31 H new ATOM 0 HG3 LYS A 62 11.524 -0.600 -22.715 1.00 0.31 H new ATOM 0 HD2 LYS A 62 12.803 -0.894 -24.701 1.00 1.61 H new ATOM 0 HD3 LYS A 62 12.119 -2.472 -25.039 1.00 1.61 H new ATOM 0 HE2 LYS A 62 10.585 0.178 -25.233 1.00 1.24 H new ATOM 0 HE3 LYS A 62 11.178 -0.743 -26.601 1.00 1.24 H new ATOM 0 HZ1 LYS A 62 9.268 -1.918 -26.404 1.00 2.38 H new ATOM 0 HZ2 LYS A 62 9.973 -2.648 -25.043 1.00 2.38 H new ATOM 0 HZ3 LYS A 62 8.941 -1.314 -24.851 1.00 2.38 H new ATOM 999 N GLY A 63 8.909 -3.620 -21.139 1.00 0.20 N ATOM 1000 CA GLY A 63 7.407 -3.434 -21.204 1.00 0.34 C ATOM 1001 C GLY A 63 6.637 -3.980 -20.010 1.00 0.37 C ATOM 1002 O GLY A 63 5.453 -4.232 -20.111 1.00 0.73 O ATOM 0 H GLY A 63 9.231 -4.588 -21.134 1.00 0.20 H new ATOM 0 HA2 GLY A 63 7.192 -2.370 -21.300 1.00 0.34 H new ATOM 0 HA3 GLY A 63 7.035 -3.917 -22.108 1.00 0.34 H new ATOM 1006 N THR A 64 7.325 -4.159 -18.920 1.00 0.39 N ATOM 1007 CA THR A 64 6.674 -4.680 -17.675 1.00 0.39 C ATOM 1008 C THR A 64 5.715 -3.624 -17.104 1.00 0.26 C ATOM 1009 O THR A 64 5.734 -2.450 -17.435 1.00 0.17 O ATOM 1010 CB THR A 64 7.721 -4.971 -16.572 1.00 0.72 C ATOM 1011 OG1 THR A 64 8.662 -5.902 -17.071 1.00 0.83 O ATOM 1012 CG2 THR A 64 7.189 -5.776 -15.389 1.00 0.88 C ATOM 0 H THR A 64 8.323 -3.966 -18.832 1.00 0.39 H new ATOM 0 HA THR A 64 6.148 -5.595 -17.948 1.00 0.39 H new ATOM 0 HB THR A 64 8.077 -3.982 -16.284 1.00 0.72 H new ATOM 0 HG1 THR A 64 9.230 -5.466 -17.741 1.00 0.83 H new ATOM 0 HG21 THR A 64 7.990 -5.933 -14.666 1.00 0.88 H new ATOM 0 HG22 THR A 64 6.373 -5.230 -14.915 1.00 0.88 H new ATOM 0 HG23 THR A 64 6.824 -6.741 -15.740 1.00 0.88 H new ATOM 1020 N SER A 65 4.884 -4.111 -16.221 1.00 0.41 N ATOM 1021 CA SER A 65 3.884 -3.249 -15.539 1.00 0.49 C ATOM 1022 C SER A 65 4.536 -2.825 -14.215 1.00 0.48 C ATOM 1023 O SER A 65 4.828 -3.597 -13.317 1.00 0.72 O ATOM 1024 CB SER A 65 2.599 -4.046 -15.280 1.00 0.64 C ATOM 1025 OG SER A 65 3.002 -5.409 -15.159 1.00 1.72 O ATOM 0 H SER A 65 4.859 -5.091 -15.940 1.00 0.41 H new ATOM 0 HA SER A 65 3.610 -2.382 -16.141 1.00 0.49 H new ATOM 0 HB2 SER A 65 2.103 -3.703 -14.372 1.00 0.64 H new ATOM 0 HB3 SER A 65 1.889 -3.920 -16.098 1.00 0.64 H new ATOM 0 HG SER A 65 2.761 -5.744 -14.270 1.00 1.72 H new ATOM 1031 N LYS A 66 4.756 -1.545 -14.145 1.00 0.23 N ATOM 1032 CA LYS A 66 5.393 -0.903 -12.948 1.00 0.28 C ATOM 1033 C LYS A 66 5.110 -1.599 -11.606 1.00 0.24 C ATOM 1034 O LYS A 66 5.940 -2.112 -10.885 1.00 0.48 O ATOM 1035 CB LYS A 66 4.904 0.568 -12.921 1.00 0.21 C ATOM 1036 CG LYS A 66 5.365 1.289 -14.217 1.00 0.26 C ATOM 1037 CD LYS A 66 4.152 1.914 -14.949 1.00 1.45 C ATOM 1038 CE LYS A 66 3.510 2.978 -14.057 1.00 2.66 C ATOM 1039 NZ LYS A 66 2.516 3.724 -14.889 1.00 3.69 N ATOM 0 H LYS A 66 4.515 -0.890 -14.889 1.00 0.23 H new ATOM 0 HA LYS A 66 6.475 -0.983 -13.056 1.00 0.28 H new ATOM 0 HB2 LYS A 66 3.817 0.600 -12.841 1.00 0.21 H new ATOM 0 HB3 LYS A 66 5.304 1.080 -12.045 1.00 0.21 H new ATOM 0 HG2 LYS A 66 6.089 2.066 -13.970 1.00 0.26 H new ATOM 0 HG3 LYS A 66 5.869 0.581 -14.875 1.00 0.26 H new ATOM 0 HD2 LYS A 66 4.472 2.359 -15.891 1.00 1.45 H new ATOM 0 HD3 LYS A 66 3.423 1.141 -15.193 1.00 1.45 H new ATOM 0 HE2 LYS A 66 3.021 2.515 -13.200 1.00 2.66 H new ATOM 0 HE3 LYS A 66 4.267 3.657 -13.664 1.00 2.66 H new ATOM 0 HZ1 LYS A 66 2.060 4.458 -14.310 1.00 3.69 H new ATOM 0 HZ2 LYS A 66 3.002 4.170 -15.693 1.00 3.69 H new ATOM 0 HZ3 LYS A 66 1.794 3.064 -15.243 1.00 3.69 H new ATOM 1053 N GLU A 67 3.853 -1.557 -11.345 1.00 0.32 N ATOM 1054 CA GLU A 67 3.209 -2.121 -10.139 1.00 0.50 C ATOM 1055 C GLU A 67 3.733 -3.471 -9.614 1.00 0.71 C ATOM 1056 O GLU A 67 3.850 -3.668 -8.413 1.00 0.98 O ATOM 1057 CB GLU A 67 1.751 -2.093 -10.556 1.00 0.72 C ATOM 1058 CG GLU A 67 1.286 -0.544 -10.672 1.00 1.12 C ATOM 1059 CD GLU A 67 -0.178 -0.372 -11.129 1.00 2.27 C ATOM 1060 OE1 GLU A 67 -0.954 -1.116 -10.558 1.00 2.55 O ATOM 1061 OE2 GLU A 67 -0.407 0.475 -11.990 1.00 3.05 O ATOM 0 H GLU A 67 3.185 -1.114 -11.976 1.00 0.32 H new ATOM 0 HA GLU A 67 3.432 -1.549 -9.239 1.00 0.50 H new ATOM 0 HB2 GLU A 67 1.619 -2.602 -11.511 1.00 0.72 H new ATOM 0 HB3 GLU A 67 1.137 -2.620 -9.826 1.00 0.72 H new ATOM 0 HG2 GLU A 67 1.415 -0.061 -9.703 1.00 1.12 H new ATOM 0 HG3 GLU A 67 1.940 -0.028 -11.375 1.00 1.12 H new ATOM 1068 N ASP A 68 4.020 -4.355 -10.522 1.00 0.64 N ATOM 1069 CA ASP A 68 4.555 -5.713 -10.226 1.00 0.70 C ATOM 1070 C ASP A 68 6.059 -5.577 -9.928 1.00 0.55 C ATOM 1071 O ASP A 68 6.610 -6.195 -9.030 1.00 0.56 O ATOM 1072 CB ASP A 68 4.270 -6.521 -11.460 1.00 0.88 C ATOM 1073 CG ASP A 68 2.788 -6.874 -11.560 1.00 1.15 C ATOM 1074 OD1 ASP A 68 2.316 -7.643 -10.732 1.00 1.89 O ATOM 1075 OD2 ASP A 68 2.243 -6.317 -12.499 1.00 3.04 O ATOM 0 H ASP A 68 3.897 -4.180 -11.519 1.00 0.64 H new ATOM 0 HA ASP A 68 4.106 -6.198 -9.359 1.00 0.70 H new ATOM 0 HB2 ASP A 68 4.573 -5.959 -12.344 1.00 0.88 H new ATOM 0 HB3 ASP A 68 4.864 -7.435 -11.444 1.00 0.88 H new ATOM 1080 N ALA A 69 6.649 -4.724 -10.718 1.00 0.48 N ATOM 1081 CA ALA A 69 8.110 -4.446 -10.585 1.00 0.44 C ATOM 1082 C ALA A 69 8.230 -3.938 -9.142 1.00 0.35 C ATOM 1083 O ALA A 69 9.186 -4.253 -8.470 1.00 0.39 O ATOM 1084 CB ALA A 69 8.534 -3.377 -11.589 1.00 0.37 C ATOM 0 H ALA A 69 6.179 -4.202 -11.457 1.00 0.48 H new ATOM 0 HA ALA A 69 8.746 -5.309 -10.783 1.00 0.44 H new ATOM 0 HB1 ALA A 69 9.601 -3.182 -11.484 1.00 0.37 H new ATOM 0 HB2 ALA A 69 8.327 -3.726 -12.601 1.00 0.37 H new ATOM 0 HB3 ALA A 69 7.977 -2.459 -11.400 1.00 0.37 H new ATOM 1090 N MET A 70 7.264 -3.156 -8.711 1.00 0.24 N ATOM 1091 CA MET A 70 7.313 -2.652 -7.311 1.00 0.15 C ATOM 1092 C MET A 70 7.293 -3.868 -6.387 1.00 0.25 C ATOM 1093 O MET A 70 8.184 -3.981 -5.583 1.00 0.32 O ATOM 1094 CB MET A 70 6.081 -1.754 -7.004 1.00 0.24 C ATOM 1095 CG MET A 70 5.986 -0.522 -7.920 1.00 0.06 C ATOM 1096 SD MET A 70 4.800 0.725 -7.359 1.00 0.89 S ATOM 1097 CE MET A 70 5.538 2.222 -8.050 1.00 1.43 C ATOM 0 H MET A 70 6.461 -2.853 -9.262 1.00 0.24 H new ATOM 0 HA MET A 70 8.212 -2.054 -7.163 1.00 0.15 H new ATOM 0 HB2 MET A 70 5.172 -2.347 -7.108 1.00 0.24 H new ATOM 0 HB3 MET A 70 6.129 -1.424 -5.966 1.00 0.24 H new ATOM 0 HG2 MET A 70 6.971 -0.062 -7.997 1.00 0.06 H new ATOM 0 HG3 MET A 70 5.708 -0.848 -8.922 1.00 0.06 H new ATOM 0 HE1 MET A 70 5.825 2.893 -7.241 1.00 1.43 H new ATOM 0 HE2 MET A 70 6.421 1.957 -8.632 1.00 1.43 H new ATOM 0 HE3 MET A 70 4.814 2.720 -8.695 1.00 1.43 H new ATOM 1107 N LYS A 71 6.316 -4.727 -6.499 1.00 0.29 N ATOM 1108 CA LYS A 71 6.272 -5.933 -5.612 1.00 0.40 C ATOM 1109 C LYS A 71 7.687 -6.578 -5.492 1.00 0.42 C ATOM 1110 O LYS A 71 8.281 -6.639 -4.431 1.00 0.43 O ATOM 1111 CB LYS A 71 5.256 -6.923 -6.221 1.00 0.46 C ATOM 1112 CG LYS A 71 3.850 -6.294 -6.300 1.00 0.60 C ATOM 1113 CD LYS A 71 2.965 -7.291 -7.087 1.00 1.82 C ATOM 1114 CE LYS A 71 1.757 -6.589 -7.667 1.00 1.55 C ATOM 1115 NZ LYS A 71 1.000 -7.627 -8.417 1.00 3.75 N ATOM 0 H LYS A 71 5.546 -4.649 -7.164 1.00 0.29 H new ATOM 0 HA LYS A 71 5.963 -5.656 -4.604 1.00 0.40 H new ATOM 0 HB2 LYS A 71 5.583 -7.218 -7.218 1.00 0.46 H new ATOM 0 HB3 LYS A 71 5.219 -7.829 -5.617 1.00 0.46 H new ATOM 0 HG2 LYS A 71 3.446 -6.121 -5.303 1.00 0.60 H new ATOM 0 HG3 LYS A 71 3.885 -5.327 -6.802 1.00 0.60 H new ATOM 0 HD2 LYS A 71 3.546 -7.747 -7.888 1.00 1.82 H new ATOM 0 HD3 LYS A 71 2.642 -8.097 -6.428 1.00 1.82 H new ATOM 0 HE2 LYS A 71 1.144 -6.152 -6.879 1.00 1.55 H new ATOM 0 HE3 LYS A 71 2.058 -5.774 -8.325 1.00 1.55 H new ATOM 0 HZ1 LYS A 71 0.095 -7.230 -8.741 1.00 3.75 H new ATOM 0 HZ2 LYS A 71 1.556 -7.936 -9.239 1.00 3.75 H new ATOM 0 HZ3 LYS A 71 0.819 -8.441 -7.796 1.00 3.75 H new ATOM 1129 N ALA A 72 8.186 -7.023 -6.614 1.00 0.44 N ATOM 1130 CA ALA A 72 9.526 -7.666 -6.645 1.00 0.44 C ATOM 1131 C ALA A 72 10.595 -6.692 -6.070 1.00 0.54 C ATOM 1132 O ALA A 72 11.352 -7.053 -5.192 1.00 0.89 O ATOM 1133 CB ALA A 72 9.729 -8.047 -8.113 1.00 0.42 C ATOM 0 H ALA A 72 7.716 -6.967 -7.517 1.00 0.44 H new ATOM 0 HA ALA A 72 9.616 -8.555 -6.020 1.00 0.44 H new ATOM 0 HB1 ALA A 72 10.698 -8.531 -8.233 1.00 0.42 H new ATOM 0 HB2 ALA A 72 8.940 -8.732 -8.423 1.00 0.42 H new ATOM 0 HB3 ALA A 72 9.693 -7.149 -8.730 1.00 0.42 H new ATOM 1139 N TYR A 73 10.632 -5.479 -6.567 1.00 0.30 N ATOM 1140 CA TYR A 73 11.604 -4.463 -6.097 1.00 0.35 C ATOM 1141 C TYR A 73 11.626 -4.424 -4.573 1.00 0.34 C ATOM 1142 O TYR A 73 12.646 -4.605 -3.949 1.00 0.37 O ATOM 1143 CB TYR A 73 11.170 -3.144 -6.690 1.00 0.30 C ATOM 1144 CG TYR A 73 12.096 -2.028 -6.234 1.00 0.28 C ATOM 1145 CD1 TYR A 73 13.334 -1.890 -6.819 1.00 0.36 C ATOM 1146 CD2 TYR A 73 11.708 -1.146 -5.249 1.00 0.22 C ATOM 1147 CE1 TYR A 73 14.170 -0.881 -6.426 1.00 0.38 C ATOM 1148 CE2 TYR A 73 12.551 -0.133 -4.860 1.00 0.27 C ATOM 1149 CZ TYR A 73 13.783 -0.003 -5.453 1.00 0.35 C ATOM 1150 OH TYR A 73 14.630 1.010 -5.084 1.00 0.42 O ATOM 0 H TYR A 73 10.006 -5.149 -7.301 1.00 0.30 H new ATOM 0 HA TYR A 73 12.620 -4.697 -6.414 1.00 0.35 H new ATOM 0 HB2 TYR A 73 11.175 -3.208 -7.778 1.00 0.30 H new ATOM 0 HB3 TYR A 73 10.146 -2.922 -6.389 1.00 0.30 H new ATOM 0 HD1 TYR A 73 13.646 -2.579 -7.590 1.00 0.36 H new ATOM 0 HD2 TYR A 73 10.740 -1.251 -4.782 1.00 0.22 H new ATOM 0 HE1 TYR A 73 15.141 -0.778 -6.887 1.00 0.38 H new ATOM 0 HE2 TYR A 73 12.245 0.559 -4.090 1.00 0.27 H new ATOM 0 HH TYR A 73 14.574 1.738 -5.738 1.00 0.42 H new ATOM 1160 N ILE A 74 10.467 -4.198 -4.029 1.00 0.31 N ATOM 1161 CA ILE A 74 10.295 -4.114 -2.555 1.00 0.28 C ATOM 1162 C ILE A 74 10.695 -5.433 -1.898 1.00 0.42 C ATOM 1163 O ILE A 74 11.387 -5.418 -0.902 1.00 0.62 O ATOM 1164 CB ILE A 74 8.820 -3.771 -2.247 1.00 0.33 C ATOM 1165 CG1 ILE A 74 8.445 -2.432 -2.913 1.00 0.23 C ATOM 1166 CG2 ILE A 74 8.718 -3.585 -0.702 1.00 0.47 C ATOM 1167 CD1 ILE A 74 6.938 -2.180 -2.708 1.00 0.55 C ATOM 0 H ILE A 74 9.607 -4.064 -4.560 1.00 0.31 H new ATOM 0 HA ILE A 74 10.940 -3.334 -2.150 1.00 0.28 H new ATOM 0 HB ILE A 74 8.159 -4.555 -2.615 1.00 0.33 H new ATOM 0 HG12 ILE A 74 9.026 -1.619 -2.479 1.00 0.23 H new ATOM 0 HG13 ILE A 74 8.682 -2.460 -3.977 1.00 0.23 H new ATOM 0 HG21 ILE A 74 7.691 -3.340 -0.432 1.00 0.47 H new ATOM 0 HG22 ILE A 74 9.014 -4.508 -0.204 1.00 0.47 H new ATOM 0 HG23 ILE A 74 9.378 -2.776 -0.389 1.00 0.47 H new ATOM 0 HD11 ILE A 74 6.660 -1.235 -3.175 1.00 0.55 H new ATOM 0 HD12 ILE A 74 6.368 -2.991 -3.163 1.00 0.55 H new ATOM 0 HD13 ILE A 74 6.718 -2.136 -1.641 1.00 0.55 H new ATOM 1179 N ASP A 75 10.295 -6.539 -2.465 1.00 0.32 N ATOM 1180 CA ASP A 75 10.646 -7.873 -1.872 1.00 0.45 C ATOM 1181 C ASP A 75 12.157 -8.102 -2.007 1.00 0.49 C ATOM 1182 O ASP A 75 12.768 -8.873 -1.293 1.00 0.60 O ATOM 1183 CB ASP A 75 9.865 -8.927 -2.624 1.00 0.55 C ATOM 1184 CG ASP A 75 8.911 -9.740 -1.755 1.00 0.87 C ATOM 1185 OD1 ASP A 75 8.760 -9.433 -0.583 1.00 1.86 O ATOM 1186 OD2 ASP A 75 8.376 -10.660 -2.348 1.00 2.45 O ATOM 0 H ASP A 75 9.737 -6.582 -3.318 1.00 0.32 H new ATOM 0 HA ASP A 75 10.393 -7.919 -0.813 1.00 0.45 H new ATOM 0 HB2 ASP A 75 9.293 -8.443 -3.416 1.00 0.55 H new ATOM 0 HB3 ASP A 75 10.567 -9.607 -3.107 1.00 0.55 H new ATOM 1191 N LYS A 76 12.725 -7.383 -2.932 1.00 0.48 N ATOM 1192 CA LYS A 76 14.182 -7.504 -3.158 1.00 0.46 C ATOM 1193 C LYS A 76 14.762 -6.615 -2.045 1.00 0.42 C ATOM 1194 O LYS A 76 15.644 -7.043 -1.338 1.00 0.44 O ATOM 1195 CB LYS A 76 14.475 -7.004 -4.566 1.00 0.51 C ATOM 1196 CG LYS A 76 15.913 -7.349 -4.875 1.00 0.64 C ATOM 1197 CD LYS A 76 16.077 -8.860 -5.112 1.00 0.86 C ATOM 1198 CE LYS A 76 17.521 -9.071 -5.454 1.00 1.67 C ATOM 1199 NZ LYS A 76 17.797 -10.514 -5.307 1.00 1.59 N ATOM 0 H LYS A 76 12.242 -6.720 -3.538 1.00 0.48 H new ATOM 0 HA LYS A 76 14.604 -8.508 -3.109 1.00 0.46 H new ATOM 0 HB2 LYS A 76 13.804 -7.471 -5.287 1.00 0.51 H new ATOM 0 HB3 LYS A 76 14.315 -5.928 -4.633 1.00 0.51 H new ATOM 0 HG2 LYS A 76 16.241 -6.801 -5.758 1.00 0.64 H new ATOM 0 HG3 LYS A 76 16.552 -7.035 -4.050 1.00 0.64 H new ATOM 0 HD2 LYS A 76 15.800 -9.427 -4.223 1.00 0.86 H new ATOM 0 HD3 LYS A 76 15.431 -9.200 -5.921 1.00 0.86 H new ATOM 0 HE2 LYS A 76 17.728 -8.741 -6.472 1.00 1.67 H new ATOM 0 HE3 LYS A 76 18.162 -8.487 -4.794 1.00 1.67 H new ATOM 0 HZ1 LYS A 76 18.737 -10.729 -5.696 1.00 1.59 H new ATOM 0 HZ2 LYS A 76 17.772 -10.771 -4.300 1.00 1.59 H new ATOM 0 HZ3 LYS A 76 17.077 -11.059 -5.822 1.00 1.59 H new ATOM 1213 N VAL A 77 14.291 -5.401 -1.910 1.00 0.35 N ATOM 1214 CA VAL A 77 14.799 -4.492 -0.822 1.00 0.32 C ATOM 1215 C VAL A 77 14.760 -5.368 0.439 1.00 0.34 C ATOM 1216 O VAL A 77 15.765 -5.477 1.109 1.00 0.31 O ATOM 1217 CB VAL A 77 13.878 -3.263 -0.689 1.00 0.28 C ATOM 1218 CG1 VAL A 77 14.395 -2.402 0.504 1.00 0.39 C ATOM 1219 CG2 VAL A 77 14.057 -2.447 -2.003 1.00 0.22 C ATOM 0 H VAL A 77 13.572 -4.993 -2.507 1.00 0.35 H new ATOM 0 HA VAL A 77 15.798 -4.100 -1.014 1.00 0.32 H new ATOM 0 HB VAL A 77 12.837 -3.541 -0.524 1.00 0.28 H new ATOM 0 HG11 VAL A 77 13.760 -1.524 0.621 1.00 0.39 H new ATOM 0 HG12 VAL A 77 14.368 -2.994 1.419 1.00 0.39 H new ATOM 0 HG13 VAL A 77 15.419 -2.086 0.307 1.00 0.39 H new ATOM 0 HG21 VAL A 77 13.426 -1.559 -1.969 1.00 0.22 H new ATOM 0 HG22 VAL A 77 15.100 -2.148 -2.106 1.00 0.22 H new ATOM 0 HG23 VAL A 77 13.770 -3.063 -2.856 1.00 0.22 H new ATOM 1229 N GLU A 78 13.632 -5.975 0.740 1.00 0.36 N ATOM 1230 CA GLU A 78 13.596 -6.841 1.953 1.00 0.30 C ATOM 1231 C GLU A 78 14.795 -7.839 1.850 1.00 0.21 C ATOM 1232 O GLU A 78 15.574 -7.959 2.773 1.00 0.12 O ATOM 1233 CB GLU A 78 12.200 -7.529 2.002 1.00 0.54 C ATOM 1234 CG GLU A 78 11.519 -7.106 3.384 1.00 1.39 C ATOM 1235 CD GLU A 78 12.278 -7.627 4.633 1.00 3.91 C ATOM 1236 OE1 GLU A 78 13.213 -8.381 4.464 1.00 4.56 O ATOM 1237 OE2 GLU A 78 11.861 -7.231 5.711 1.00 5.57 O ATOM 0 H GLU A 78 12.762 -5.909 0.212 1.00 0.36 H new ATOM 0 HA GLU A 78 13.712 -6.291 2.887 1.00 0.30 H new ATOM 0 HB2 GLU A 78 11.586 -7.216 1.158 1.00 0.54 H new ATOM 0 HB3 GLU A 78 12.302 -8.612 1.938 1.00 0.54 H new ATOM 0 HG2 GLU A 78 11.459 -6.019 3.433 1.00 1.39 H new ATOM 0 HG3 GLU A 78 10.497 -7.483 3.406 1.00 1.39 H new ATOM 1244 N GLU A 79 14.959 -8.550 0.762 1.00 0.24 N ATOM 1245 CA GLU A 79 16.130 -9.489 0.663 1.00 0.13 C ATOM 1246 C GLU A 79 17.465 -8.769 0.998 1.00 0.11 C ATOM 1247 O GLU A 79 18.265 -9.228 1.791 1.00 0.09 O ATOM 1248 CB GLU A 79 16.173 -10.059 -0.777 1.00 0.18 C ATOM 1249 CG GLU A 79 15.378 -11.389 -0.820 1.00 0.57 C ATOM 1250 CD GLU A 79 16.040 -12.342 0.149 1.00 1.10 C ATOM 1251 OE1 GLU A 79 17.147 -12.695 -0.223 1.00 3.26 O ATOM 1252 OE2 GLU A 79 15.398 -12.598 1.159 1.00 0.81 O ATOM 0 H GLU A 79 14.346 -8.526 -0.053 1.00 0.24 H new ATOM 0 HA GLU A 79 16.008 -10.294 1.388 1.00 0.13 H new ATOM 0 HB2 GLU A 79 15.745 -9.342 -1.478 1.00 0.18 H new ATOM 0 HB3 GLU A 79 17.205 -10.228 -1.084 1.00 0.18 H new ATOM 0 HG2 GLU A 79 14.337 -11.223 -0.544 1.00 0.57 H new ATOM 0 HG3 GLU A 79 15.379 -11.804 -1.828 1.00 0.57 H new ATOM 1259 N LEU A 80 17.668 -7.630 0.394 1.00 0.18 N ATOM 1260 CA LEU A 80 18.912 -6.833 0.621 1.00 0.21 C ATOM 1261 C LEU A 80 19.032 -6.565 2.115 1.00 0.24 C ATOM 1262 O LEU A 80 20.067 -6.745 2.708 1.00 0.30 O ATOM 1263 CB LEU A 80 18.835 -5.486 -0.109 1.00 0.25 C ATOM 1264 CG LEU A 80 18.957 -5.594 -1.635 1.00 0.31 C ATOM 1265 CD1 LEU A 80 19.005 -4.170 -2.203 1.00 0.77 C ATOM 1266 CD2 LEU A 80 20.274 -6.264 -2.006 1.00 0.31 C ATOM 0 H LEU A 80 17.011 -7.208 -0.262 1.00 0.18 H new ATOM 0 HA LEU A 80 19.770 -7.389 0.244 1.00 0.21 H new ATOM 0 HB2 LEU A 80 17.888 -5.005 0.136 1.00 0.25 H new ATOM 0 HB3 LEU A 80 19.628 -4.837 0.263 1.00 0.25 H new ATOM 0 HG LEU A 80 18.118 -6.169 -2.026 1.00 0.31 H new ATOM 0 HD11 LEU A 80 19.092 -4.214 -3.289 1.00 0.77 H new ATOM 0 HD12 LEU A 80 18.092 -3.640 -1.933 1.00 0.77 H new ATOM 0 HD13 LEU A 80 19.866 -3.643 -1.791 1.00 0.77 H new ATOM 0 HD21 LEU A 80 20.352 -6.337 -3.091 1.00 0.31 H new ATOM 0 HD22 LEU A 80 21.104 -5.672 -1.621 1.00 0.31 H new ATOM 0 HD23 LEU A 80 20.309 -7.263 -1.572 1.00 0.31 H new ATOM 1278 N LYS A 81 17.934 -6.124 2.664 1.00 0.22 N ATOM 1279 CA LYS A 81 17.809 -5.798 4.115 1.00 0.40 C ATOM 1280 C LYS A 81 18.247 -7.017 4.922 1.00 0.59 C ATOM 1281 O LYS A 81 19.128 -6.881 5.748 1.00 0.78 O ATOM 1282 CB LYS A 81 16.321 -5.383 4.302 1.00 0.58 C ATOM 1283 CG LYS A 81 15.817 -5.500 5.754 1.00 1.14 C ATOM 1284 CD LYS A 81 14.306 -5.086 5.736 1.00 1.65 C ATOM 1285 CE LYS A 81 13.604 -5.401 7.067 1.00 2.46 C ATOM 1286 NZ LYS A 81 14.317 -4.614 8.105 1.00 2.53 N ATOM 0 H LYS A 81 17.074 -5.969 2.137 1.00 0.22 H new ATOM 0 HA LYS A 81 18.444 -4.984 4.466 1.00 0.40 H new ATOM 0 HB2 LYS A 81 16.196 -4.353 3.967 1.00 0.58 H new ATOM 0 HB3 LYS A 81 15.697 -6.005 3.660 1.00 0.58 H new ATOM 0 HG2 LYS A 81 15.936 -6.518 6.125 1.00 1.14 H new ATOM 0 HG3 LYS A 81 16.389 -4.851 6.417 1.00 1.14 H new ATOM 0 HD2 LYS A 81 14.225 -4.019 5.528 1.00 1.65 H new ATOM 0 HD3 LYS A 81 13.797 -5.608 4.926 1.00 1.65 H new ATOM 0 HE2 LYS A 81 12.550 -5.127 7.026 1.00 2.46 H new ATOM 0 HE3 LYS A 81 13.648 -6.467 7.288 1.00 2.46 H new ATOM 0 HZ1 LYS A 81 13.702 -4.497 8.935 1.00 2.53 H new ATOM 0 HZ2 LYS A 81 15.185 -5.114 8.385 1.00 2.53 H new ATOM 0 HZ3 LYS A 81 14.565 -3.679 7.723 1.00 2.53 H new ATOM 1300 N LYS A 82 17.633 -8.148 4.672 1.00 0.53 N ATOM 1301 CA LYS A 82 18.010 -9.397 5.407 1.00 0.68 C ATOM 1302 C LYS A 82 19.517 -9.664 5.345 1.00 0.71 C ATOM 1303 O LYS A 82 20.144 -10.113 6.281 1.00 0.81 O ATOM 1304 CB LYS A 82 17.282 -10.613 4.809 1.00 0.73 C ATOM 1305 CG LYS A 82 15.777 -10.487 4.984 1.00 0.76 C ATOM 1306 CD LYS A 82 15.132 -11.779 4.442 1.00 1.04 C ATOM 1307 CE LYS A 82 13.633 -11.556 4.282 1.00 1.07 C ATOM 1308 NZ LYS A 82 13.298 -11.691 2.833 1.00 1.39 N ATOM 0 H LYS A 82 16.884 -8.261 3.988 1.00 0.53 H new ATOM 0 HA LYS A 82 17.718 -9.249 6.447 1.00 0.68 H new ATOM 0 HB2 LYS A 82 17.522 -10.700 3.749 1.00 0.73 H new ATOM 0 HB3 LYS A 82 17.633 -11.525 5.292 1.00 0.73 H new ATOM 0 HG2 LYS A 82 15.525 -10.345 6.035 1.00 0.76 H new ATOM 0 HG3 LYS A 82 15.401 -9.617 4.446 1.00 0.76 H new ATOM 0 HD2 LYS A 82 15.577 -12.049 3.484 1.00 1.04 H new ATOM 0 HD3 LYS A 82 15.319 -12.608 5.125 1.00 1.04 H new ATOM 0 HE2 LYS A 82 13.075 -12.283 4.871 1.00 1.07 H new ATOM 0 HE3 LYS A 82 13.354 -10.568 4.647 1.00 1.07 H new ATOM 0 HZ1 LYS A 82 13.045 -10.759 2.447 1.00 1.39 H new ATOM 0 HZ2 LYS A 82 14.121 -12.066 2.320 1.00 1.39 H new ATOM 0 HZ3 LYS A 82 12.495 -12.342 2.722 1.00 1.39 H new ATOM 1322 N LYS A 83 20.041 -9.380 4.197 1.00 0.69 N ATOM 1323 CA LYS A 83 21.500 -9.560 3.906 1.00 0.82 C ATOM 1324 C LYS A 83 22.431 -8.501 4.528 1.00 0.89 C ATOM 1325 O LYS A 83 23.468 -8.829 5.061 1.00 1.00 O ATOM 1326 CB LYS A 83 21.666 -9.554 2.370 1.00 0.71 C ATOM 1327 CG LYS A 83 20.921 -10.740 1.766 1.00 0.83 C ATOM 1328 CD LYS A 83 20.669 -10.500 0.247 1.00 0.75 C ATOM 1329 CE LYS A 83 20.107 -11.793 -0.299 1.00 1.14 C ATOM 1330 NZ LYS A 83 19.353 -11.521 -1.563 1.00 2.00 N ATOM 0 H LYS A 83 19.505 -9.015 3.410 1.00 0.69 H new ATOM 0 HA LYS A 83 21.804 -10.500 4.366 1.00 0.82 H new ATOM 0 HB2 LYS A 83 21.281 -8.622 1.957 1.00 0.71 H new ATOM 0 HB3 LYS A 83 22.723 -9.605 2.109 1.00 0.71 H new ATOM 0 HG2 LYS A 83 21.500 -11.652 1.906 1.00 0.83 H new ATOM 0 HG3 LYS A 83 19.971 -10.883 2.282 1.00 0.83 H new ATOM 0 HD2 LYS A 83 19.971 -9.677 0.094 1.00 0.75 H new ATOM 0 HD3 LYS A 83 21.594 -10.232 -0.263 1.00 0.75 H new ATOM 0 HE2 LYS A 83 20.915 -12.500 -0.491 1.00 1.14 H new ATOM 0 HE3 LYS A 83 19.448 -12.254 0.437 1.00 1.14 H new ATOM 0 HZ1 LYS A 83 18.367 -11.831 -1.452 1.00 2.00 H new ATOM 0 HZ2 LYS A 83 19.374 -10.501 -1.767 1.00 2.00 H new ATOM 0 HZ3 LYS A 83 19.794 -12.041 -2.349 1.00 2.00 H new ATOM 1344 N TYR A 84 22.048 -7.263 4.439 1.00 0.87 N ATOM 1345 CA TYR A 84 22.843 -6.117 4.975 1.00 1.00 C ATOM 1346 C TYR A 84 22.597 -5.545 6.380 1.00 1.22 C ATOM 1347 O TYR A 84 23.513 -4.927 6.896 1.00 2.37 O ATOM 1348 CB TYR A 84 22.705 -5.049 3.856 1.00 0.86 C ATOM 1349 CG TYR A 84 23.385 -5.648 2.608 1.00 0.73 C ATOM 1350 CD1 TYR A 84 24.736 -5.931 2.654 1.00 2.38 C ATOM 1351 CD2 TYR A 84 22.690 -5.937 1.445 1.00 2.56 C ATOM 1352 CE1 TYR A 84 25.373 -6.491 1.573 1.00 2.61 C ATOM 1353 CE2 TYR A 84 23.335 -6.498 0.370 1.00 2.31 C ATOM 1354 CZ TYR A 84 24.667 -6.773 0.433 1.00 0.77 C ATOM 1355 OH TYR A 84 25.293 -7.327 -0.658 1.00 0.90 O ATOM 0 H TYR A 84 21.174 -6.981 3.995 1.00 0.87 H new ATOM 0 HA TYR A 84 23.844 -6.493 5.187 1.00 1.00 H new ATOM 0 HB2 TYR A 84 21.657 -4.824 3.659 1.00 0.86 H new ATOM 0 HB3 TYR A 84 23.182 -4.114 4.149 1.00 0.86 H new ATOM 0 HD1 TYR A 84 25.298 -5.710 3.549 1.00 2.38 H new ATOM 0 HD2 TYR A 84 21.634 -5.720 1.383 1.00 2.56 H new ATOM 0 HE1 TYR A 84 26.430 -6.709 1.622 1.00 2.61 H new ATOM 0 HE2 TYR A 84 22.782 -6.722 -0.530 1.00 2.31 H new ATOM 0 HH TYR A 84 24.640 -7.461 -1.377 1.00 0.90 H new ATOM 1365 N GLY A 85 21.440 -5.723 6.971 1.00 1.06 N ATOM 1366 CA GLY A 85 21.218 -5.167 8.366 1.00 1.09 C ATOM 1367 C GLY A 85 20.248 -4.026 8.649 1.00 1.31 C ATOM 1368 O GLY A 85 20.493 -3.283 9.578 1.00 2.05 O ATOM 0 H GLY A 85 20.646 -6.219 6.566 1.00 1.06 H new ATOM 0 HA2 GLY A 85 20.904 -6.005 8.989 1.00 1.09 H new ATOM 0 HA3 GLY A 85 22.193 -4.845 8.732 1.00 1.09 H new ATOM 1372 N ILE A 86 19.195 -3.880 7.894 1.00 1.09 N ATOM 1373 CA ILE A 86 18.231 -2.760 8.176 1.00 1.85 C ATOM 1374 C ILE A 86 16.805 -3.306 8.480 1.00 2.55 C ATOM 1375 O ILE A 86 15.831 -2.569 8.462 1.00 2.51 O ATOM 1376 CB ILE A 86 18.353 -1.812 6.907 1.00 1.22 C ATOM 1377 CG1 ILE A 86 17.301 -0.680 6.918 1.00 1.78 C ATOM 1378 CG2 ILE A 86 18.249 -2.583 5.582 1.00 0.44 C ATOM 1379 CD1 ILE A 86 17.636 0.434 5.890 1.00 1.14 C ATOM 1380 OXT ILE A 86 16.710 -4.493 8.747 1.00 4.31 O ATOM 0 H ILE A 86 18.955 -4.476 7.101 1.00 1.09 H new ATOM 0 HA ILE A 86 18.457 -2.192 9.078 1.00 1.85 H new ATOM 0 HB ILE A 86 19.347 -1.371 6.975 1.00 1.22 H new ATOM 0 HG12 ILE A 86 16.318 -1.096 6.695 1.00 1.78 H new ATOM 0 HG13 ILE A 86 17.245 -0.247 7.917 1.00 1.78 H new ATOM 0 HG21 ILE A 86 18.339 -1.887 4.748 1.00 0.44 H new ATOM 0 HG22 ILE A 86 19.049 -3.321 5.527 1.00 0.44 H new ATOM 0 HG23 ILE A 86 17.285 -3.089 5.530 1.00 0.44 H new ATOM 0 HD11 ILE A 86 16.871 1.209 5.931 1.00 1.14 H new ATOM 0 HD12 ILE A 86 18.607 0.869 6.128 1.00 1.14 H new ATOM 0 HD13 ILE A 86 17.666 0.007 4.888 1.00 1.14 H new