USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 581 hydrogens (13 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 NoAdj-H: A 25 MLE H : A 25 MLE N : A 24 GLU C :(H bumps) USER MOD Set 1.1: A 30 SER OG : rot -112:sc= 0.106 USER MOD Set 1.2: A 37 THR OG1 : rot 180:sc= 0.099 USER MOD Single : A 8 GLN : amide:sc= -0.285 K(o=-0.29,f=-0.97) USER MOD Single : A 11 LYS NZ :NH3+ -149:sc= 0.057 (180deg=-0.0229) USER MOD Single : A 12 THR OG1 : rot -159:sc= 0.0745 USER MOD Single : A 13 TYR OH : rot 180:sc= -0.0164 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -11.7! C(o=-12!,f=-21!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.89 K(o=-0.89,f=-2.9!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 59 GLN : amide:sc= -0.819 X(o=-0.82,f=-1) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.0028 K(o=-0.0028,f=-1.8!) USER MOD Single : A 72 SER OG : rot 40:sc= 0.0655 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 4 -11.747 16.873 -8.261 1.00 9.58 N ATOM 2 CA GLU A 4 -10.651 16.220 -7.483 1.00 9.09 C ATOM 3 C GLU A 4 -11.250 15.258 -6.447 1.00 8.06 C ATOM 4 O GLU A 4 -12.321 15.493 -5.916 1.00 8.10 O ATOM 5 CB GLU A 4 -9.818 17.292 -6.766 1.00 9.77 C ATOM 6 CG GLU A 4 -8.718 17.801 -7.704 1.00 10.24 C ATOM 7 CD GLU A 4 -7.523 16.845 -7.666 1.00 11.04 C ATOM 8 OE1 GLU A 4 -6.656 17.042 -6.830 1.00 11.36 O ATOM 9 OE2 GLU A 4 -7.493 15.931 -8.476 1.00 11.49 O ATOM 0 HA GLU A 4 -10.012 15.660 -8.166 1.00 9.09 H new ATOM 0 HB2 GLU A 4 -10.458 18.119 -6.458 1.00 9.77 H new ATOM 0 HB3 GLU A 4 -9.375 16.877 -5.861 1.00 9.77 H new ATOM 0 HG2 GLU A 4 -9.102 17.878 -8.721 1.00 10.24 H new ATOM 0 HG3 GLU A 4 -8.405 18.801 -7.404 1.00 10.24 H new ATOM 16 N LEU A 5 -10.567 14.174 -6.162 1.00 7.36 N ATOM 17 CA LEU A 5 -11.092 13.189 -5.167 1.00 6.53 C ATOM 18 C LEU A 5 -10.003 12.856 -4.141 1.00 6.17 C ATOM 19 O LEU A 5 -8.864 12.603 -4.491 1.00 6.61 O ATOM 20 CB LEU A 5 -11.516 11.910 -5.894 1.00 6.34 C ATOM 21 CG LEU A 5 -12.391 11.058 -4.969 1.00 7.26 C ATOM 22 CD1 LEU A 5 -13.857 11.458 -5.140 1.00 7.60 C ATOM 23 CD2 LEU A 5 -12.219 9.578 -5.327 1.00 7.86 C ATOM 0 H LEU A 5 -9.668 13.930 -6.577 1.00 7.36 H new ATOM 0 HA LEU A 5 -11.950 13.620 -4.652 1.00 6.53 H new ATOM 0 HB2 LEU A 5 -12.065 12.161 -6.801 1.00 6.34 H new ATOM 0 HB3 LEU A 5 -10.636 11.345 -6.200 1.00 6.34 H new ATOM 0 HG LEU A 5 -12.091 11.220 -3.934 1.00 7.26 H new ATOM 0 HD11 LEU A 5 -14.479 10.851 -4.482 1.00 7.60 H new ATOM 0 HD12 LEU A 5 -13.979 12.511 -4.886 1.00 7.60 H new ATOM 0 HD13 LEU A 5 -14.160 11.297 -6.175 1.00 7.60 H new ATOM 0 HD21 LEU A 5 -12.841 8.970 -4.670 1.00 7.86 H new ATOM 0 HD22 LEU A 5 -12.519 9.417 -6.362 1.00 7.86 H new ATOM 0 HD23 LEU A 5 -11.174 9.293 -5.204 1.00 7.86 H new ATOM 35 N ARG A 6 -10.353 12.852 -2.875 1.00 5.61 N ATOM 36 CA ARG A 6 -9.361 12.539 -1.803 1.00 5.48 C ATOM 37 C ARG A 6 -8.945 11.061 -1.866 1.00 4.69 C ATOM 38 O ARG A 6 -9.299 10.341 -2.784 1.00 4.64 O ATOM 39 CB ARG A 6 -9.984 12.844 -0.434 1.00 6.06 C ATOM 40 CG ARG A 6 -11.274 12.036 -0.243 1.00 6.84 C ATOM 41 CD ARG A 6 -12.418 12.980 0.125 1.00 7.76 C ATOM 42 NE ARG A 6 -13.721 12.336 -0.205 1.00 8.57 N ATOM 43 CZ ARG A 6 -14.738 13.070 -0.569 1.00 9.27 C ATOM 44 NH1 ARG A 6 -14.901 13.386 -1.828 1.00 9.77 N ATOM 45 NH2 ARG A 6 -15.593 13.489 0.329 1.00 9.70 N ATOM 0 H ARG A 6 -11.294 13.055 -2.539 1.00 5.61 H new ATOM 0 HA ARG A 6 -8.473 13.154 -1.951 1.00 5.48 H new ATOM 0 HB2 ARG A 6 -9.275 12.602 0.358 1.00 6.06 H new ATOM 0 HB3 ARG A 6 -10.199 13.910 -0.354 1.00 6.06 H new ATOM 0 HG2 ARG A 6 -11.515 11.495 -1.158 1.00 6.84 H new ATOM 0 HG3 ARG A 6 -11.136 11.291 0.541 1.00 6.84 H new ATOM 0 HD2 ARG A 6 -12.378 13.220 1.187 1.00 7.76 H new ATOM 0 HD3 ARG A 6 -12.317 13.920 -0.418 1.00 7.76 H new ATOM 0 HE ARG A 6 -13.818 11.322 -0.147 1.00 8.57 H new ATOM 0 HH11 ARG A 6 -14.233 13.059 -2.526 1.00 9.77 H new ATOM 0 HH12 ARG A 6 -15.696 13.959 -2.111 1.00 9.77 H new ATOM 0 HH21 ARG A 6 -15.464 13.242 1.310 1.00 9.70 H new ATOM 0 HH22 ARG A 6 -16.388 14.062 0.048 1.00 9.70 H new ATOM 59 N CYS A 7 -8.189 10.610 -0.891 1.00 4.47 N ATOM 60 CA CYS A 7 -7.731 9.188 -0.870 1.00 4.05 C ATOM 61 C CYS A 7 -8.939 8.248 -0.873 1.00 4.38 C ATOM 62 O CYS A 7 -9.786 8.308 0.001 1.00 4.93 O ATOM 63 CB CYS A 7 -6.901 8.947 0.393 1.00 4.32 C ATOM 64 SG CYS A 7 -5.210 9.541 0.129 1.00 4.79 S ATOM 0 H CYS A 7 -7.869 11.174 -0.104 1.00 4.47 H new ATOM 0 HA CYS A 7 -7.126 8.991 -1.755 1.00 4.05 H new ATOM 0 HB2 CYS A 7 -7.351 9.464 1.241 1.00 4.32 H new ATOM 0 HB3 CYS A 7 -6.891 7.885 0.637 1.00 4.32 H new ATOM 69 N GLN A 8 -9.020 7.378 -1.852 1.00 4.51 N ATOM 70 CA GLN A 8 -10.163 6.422 -1.927 1.00 5.30 C ATOM 71 C GLN A 8 -10.068 5.381 -0.795 1.00 5.47 C ATOM 72 O GLN A 8 -11.022 4.676 -0.523 1.00 6.21 O ATOM 73 CB GLN A 8 -10.142 5.713 -3.288 1.00 5.63 C ATOM 74 CG GLN A 8 -8.846 4.909 -3.452 1.00 6.22 C ATOM 75 CD GLN A 8 -9.113 3.684 -4.333 1.00 7.21 C ATOM 76 OE1 GLN A 8 -8.937 3.737 -5.534 1.00 7.78 O ATOM 77 NE2 GLN A 8 -9.533 2.575 -3.785 1.00 7.68 N ATOM 0 H GLN A 8 -8.338 7.291 -2.605 1.00 4.51 H new ATOM 0 HA GLN A 8 -11.097 6.973 -1.814 1.00 5.30 H new ATOM 0 HB2 GLN A 8 -11.002 5.049 -3.373 1.00 5.63 H new ATOM 0 HB3 GLN A 8 -10.226 6.447 -4.089 1.00 5.63 H new ATOM 0 HG2 GLN A 8 -8.073 5.532 -3.902 1.00 6.22 H new ATOM 0 HG3 GLN A 8 -8.474 4.595 -2.477 1.00 6.22 H new ATOM 0 HE21 GLN A 8 -9.681 2.529 -2.777 1.00 7.68 H new ATOM 0 HE22 GLN A 8 -9.713 1.756 -4.365 1.00 7.68 H new ATOM 86 N CYS A 9 -8.933 5.279 -0.132 1.00 5.04 N ATOM 87 CA CYS A 9 -8.796 4.287 0.977 1.00 5.45 C ATOM 88 C CYS A 9 -8.458 5.007 2.286 1.00 5.99 C ATOM 89 O CYS A 9 -7.304 5.263 2.586 1.00 6.13 O ATOM 90 CB CYS A 9 -7.683 3.282 0.645 1.00 5.08 C ATOM 91 SG CYS A 9 -8.414 1.731 0.062 1.00 5.12 S ATOM 0 H CYS A 9 -8.102 5.841 -0.315 1.00 5.04 H new ATOM 0 HA CYS A 9 -9.741 3.756 1.092 1.00 5.45 H new ATOM 0 HB2 CYS A 9 -7.024 3.694 -0.119 1.00 5.08 H new ATOM 0 HB3 CYS A 9 -7.071 3.097 1.528 1.00 5.08 H new ATOM 96 N ILE A 10 -9.456 5.313 3.083 1.00 6.61 N ATOM 97 CA ILE A 10 -9.193 5.987 4.394 1.00 7.44 C ATOM 98 C ILE A 10 -8.419 5.009 5.292 1.00 7.48 C ATOM 99 O ILE A 10 -7.618 5.410 6.116 1.00 8.16 O ATOM 100 CB ILE A 10 -10.522 6.373 5.059 1.00 8.38 C ATOM 101 CG1 ILE A 10 -11.282 7.354 4.155 1.00 8.63 C ATOM 102 CG2 ILE A 10 -10.250 7.039 6.413 1.00 9.31 C ATOM 103 CD1 ILE A 10 -12.713 6.856 3.937 1.00 9.47 C ATOM 0 H ILE A 10 -10.438 5.125 2.882 1.00 6.61 H new ATOM 0 HA ILE A 10 -8.609 6.894 4.240 1.00 7.44 H new ATOM 0 HB ILE A 10 -11.121 5.475 5.211 1.00 8.38 H new ATOM 0 HG12 ILE A 10 -11.297 8.345 4.610 1.00 8.63 H new ATOM 0 HG13 ILE A 10 -10.771 7.451 3.197 1.00 8.63 H new ATOM 0 HG21 ILE A 10 -11.196 7.311 6.881 1.00 9.31 H new ATOM 0 HG22 ILE A 10 -9.712 6.345 7.059 1.00 9.31 H new ATOM 0 HG23 ILE A 10 -9.648 7.935 6.263 1.00 9.31 H new ATOM 0 HD11 ILE A 10 -13.248 7.556 3.295 1.00 9.47 H new ATOM 0 HD12 ILE A 10 -12.689 5.875 3.463 1.00 9.47 H new ATOM 0 HD13 ILE A 10 -13.223 6.782 4.898 1.00 9.47 H new ATOM 115 N LYS A 11 -8.639 3.727 5.107 1.00 6.93 N ATOM 116 CA LYS A 11 -7.915 2.699 5.908 1.00 7.15 C ATOM 117 C LYS A 11 -7.039 1.891 4.946 1.00 6.42 C ATOM 118 O LYS A 11 -7.536 1.186 4.086 1.00 6.35 O ATOM 119 CB LYS A 11 -8.924 1.773 6.598 1.00 8.05 C ATOM 120 CG LYS A 11 -8.671 1.766 8.109 1.00 8.65 C ATOM 121 CD LYS A 11 -9.102 0.420 8.699 1.00 9.04 C ATOM 122 CE LYS A 11 -7.870 -0.462 8.935 1.00 9.50 C ATOM 123 NZ LYS A 11 -7.403 -1.034 7.638 1.00 9.69 N ATOM 0 H LYS A 11 -9.298 3.350 4.426 1.00 6.93 H new ATOM 0 HA LYS A 11 -7.302 3.173 6.675 1.00 7.15 H new ATOM 0 HB2 LYS A 11 -9.940 2.109 6.391 1.00 8.05 H new ATOM 0 HB3 LYS A 11 -8.835 0.762 6.200 1.00 8.05 H new ATOM 0 HG2 LYS A 11 -7.614 1.941 8.311 1.00 8.65 H new ATOM 0 HG3 LYS A 11 -9.225 2.576 8.584 1.00 8.65 H new ATOM 0 HD2 LYS A 11 -9.633 0.577 9.638 1.00 9.04 H new ATOM 0 HD3 LYS A 11 -9.794 -0.080 8.021 1.00 9.04 H new ATOM 0 HE2 LYS A 11 -7.073 0.125 9.392 1.00 9.50 H new ATOM 0 HE3 LYS A 11 -8.114 -1.265 9.631 1.00 9.50 H new ATOM 0 HZ1 LYS A 11 -6.971 -1.965 7.805 1.00 9.69 H new ATOM 0 HZ2 LYS A 11 -8.212 -1.138 6.993 1.00 9.69 H new ATOM 0 HZ3 LYS A 11 -6.700 -0.398 7.211 1.00 9.69 H new ATOM 137 N THR A 12 -5.740 2.008 5.064 1.00 6.02 N ATOM 138 CA THR A 12 -4.834 1.266 4.136 1.00 5.35 C ATOM 139 C THR A 12 -4.489 -0.115 4.696 1.00 5.31 C ATOM 140 O THR A 12 -5.023 -0.552 5.700 1.00 5.80 O ATOM 141 CB THR A 12 -3.543 2.059 3.902 1.00 5.23 C ATOM 142 OG1 THR A 12 -3.367 3.033 4.924 1.00 5.90 O ATOM 143 CG2 THR A 12 -3.612 2.738 2.536 1.00 5.32 C ATOM 0 H THR A 12 -5.269 2.584 5.762 1.00 6.02 H new ATOM 0 HA THR A 12 -5.358 1.140 3.188 1.00 5.35 H new ATOM 0 HB THR A 12 -2.693 1.378 3.928 1.00 5.23 H new ATOM 0 HG1 THR A 12 -2.758 3.733 4.608 1.00 5.90 H new ATOM 0 HG21 THR A 12 -2.696 3.304 2.364 1.00 5.32 H new ATOM 0 HG22 THR A 12 -3.723 1.982 1.759 1.00 5.32 H new ATOM 0 HG23 THR A 12 -4.467 3.414 2.509 1.00 5.32 H new ATOM 151 N TYR A 13 -3.605 -0.808 4.025 1.00 4.96 N ATOM 152 CA TYR A 13 -3.209 -2.172 4.460 1.00 5.03 C ATOM 153 C TYR A 13 -1.973 -2.099 5.360 1.00 5.08 C ATOM 154 O TYR A 13 -0.969 -1.509 5.003 1.00 4.67 O ATOM 155 CB TYR A 13 -2.888 -3.003 3.215 1.00 4.85 C ATOM 156 CG TYR A 13 -2.941 -4.474 3.523 1.00 5.22 C ATOM 157 CD1 TYR A 13 -3.722 -4.950 4.581 1.00 5.75 C ATOM 158 CD2 TYR A 13 -2.199 -5.360 2.743 1.00 5.34 C ATOM 159 CE1 TYR A 13 -3.761 -6.319 4.860 1.00 6.30 C ATOM 160 CE2 TYR A 13 -2.234 -6.731 3.019 1.00 5.79 C ATOM 161 CZ TYR A 13 -3.015 -7.212 4.079 1.00 6.23 C ATOM 162 OH TYR A 13 -3.051 -8.564 4.353 1.00 6.84 O ATOM 0 H TYR A 13 -3.136 -0.477 3.182 1.00 4.96 H new ATOM 0 HA TYR A 13 -4.023 -2.631 5.022 1.00 5.03 H new ATOM 0 HB2 TYR A 13 -3.598 -2.768 2.423 1.00 4.85 H new ATOM 0 HB3 TYR A 13 -1.897 -2.741 2.843 1.00 4.85 H new ATOM 0 HD1 TYR A 13 -4.295 -4.260 5.182 1.00 5.75 H new ATOM 0 HD2 TYR A 13 -1.598 -4.988 1.926 1.00 5.34 H new ATOM 0 HE1 TYR A 13 -4.365 -6.688 5.676 1.00 6.30 H new ATOM 0 HE2 TYR A 13 -1.660 -7.418 2.416 1.00 5.79 H new ATOM 0 HH TYR A 13 -2.479 -9.042 3.717 1.00 6.84 H new ATOM 172 N SER A 14 -2.038 -2.705 6.520 1.00 5.82 N ATOM 173 CA SER A 14 -0.869 -2.689 7.449 1.00 6.06 C ATOM 174 C SER A 14 -0.143 -4.037 7.386 1.00 6.51 C ATOM 175 O SER A 14 1.065 -4.100 7.518 1.00 6.88 O ATOM 176 CB SER A 14 -1.351 -2.425 8.878 1.00 6.42 C ATOM 177 OG SER A 14 -1.480 -1.023 9.078 1.00 6.80 O ATOM 0 H SER A 14 -2.854 -3.212 6.863 1.00 5.82 H new ATOM 0 HA SER A 14 -0.181 -1.898 7.151 1.00 6.06 H new ATOM 0 HB2 SER A 14 -2.308 -2.918 9.048 1.00 6.42 H new ATOM 0 HB3 SER A 14 -0.645 -2.843 9.595 1.00 6.42 H new ATOM 0 HG SER A 14 -1.790 -0.850 9.991 1.00 6.80 H new ATOM 183 N LYS A 15 -0.865 -5.116 7.170 1.00 6.59 N ATOM 184 CA LYS A 15 -0.201 -6.450 7.084 1.00 7.06 C ATOM 185 C LYS A 15 0.487 -6.558 5.717 1.00 6.32 C ATOM 186 O LYS A 15 -0.064 -6.142 4.720 1.00 6.13 O ATOM 187 CB LYS A 15 -1.205 -7.607 7.219 1.00 7.75 C ATOM 188 CG LYS A 15 -2.495 -7.175 7.940 1.00 8.64 C ATOM 189 CD LYS A 15 -2.179 -6.795 9.392 1.00 9.43 C ATOM 190 CE LYS A 15 -3.437 -6.961 10.252 1.00 10.20 C ATOM 191 NZ LYS A 15 -3.791 -5.656 10.885 1.00 10.59 N ATOM 0 H LYS A 15 -1.878 -5.126 7.051 1.00 6.59 H new ATOM 0 HA LYS A 15 0.513 -6.528 7.904 1.00 7.06 H new ATOM 0 HB2 LYS A 15 -1.454 -7.987 6.228 1.00 7.75 H new ATOM 0 HB3 LYS A 15 -0.741 -8.427 7.768 1.00 7.75 H new ATOM 0 HG2 LYS A 15 -2.945 -6.327 7.423 1.00 8.64 H new ATOM 0 HG3 LYS A 15 -3.224 -7.985 7.917 1.00 8.64 H new ATOM 0 HD2 LYS A 15 -1.377 -7.425 9.777 1.00 9.43 H new ATOM 0 HD3 LYS A 15 -1.826 -5.765 9.440 1.00 9.43 H new ATOM 0 HE2 LYS A 15 -4.265 -7.314 9.637 1.00 10.20 H new ATOM 0 HE3 LYS A 15 -3.267 -7.715 11.021 1.00 10.20 H new ATOM 0 HZ1 LYS A 15 -4.645 -5.773 11.467 1.00 10.59 H new ATOM 0 HZ2 LYS A 15 -3.004 -5.336 11.485 1.00 10.59 H new ATOM 0 HZ3 LYS A 15 -3.971 -4.949 10.144 1.00 10.59 H new ATOM 205 N PRO A 16 1.680 -7.095 5.717 1.00 6.02 N ATOM 206 CA PRO A 16 2.487 -7.250 4.494 1.00 5.35 C ATOM 207 C PRO A 16 2.090 -8.513 3.721 1.00 5.50 C ATOM 208 O PRO A 16 1.498 -9.428 4.262 1.00 6.37 O ATOM 209 CB PRO A 16 3.912 -7.361 5.032 1.00 5.39 C ATOM 210 CG PRO A 16 3.796 -7.843 6.501 1.00 6.26 C ATOM 211 CD PRO A 16 2.340 -7.594 6.936 1.00 6.51 C ATOM 0 HA PRO A 16 2.356 -6.428 3.790 1.00 5.35 H new ATOM 0 HB2 PRO A 16 4.496 -8.064 4.439 1.00 5.39 H new ATOM 0 HB3 PRO A 16 4.422 -6.399 4.979 1.00 5.39 H new ATOM 0 HG2 PRO A 16 4.049 -8.900 6.582 1.00 6.26 H new ATOM 0 HG3 PRO A 16 4.490 -7.299 7.142 1.00 6.26 H new ATOM 0 HD2 PRO A 16 1.870 -8.509 7.297 1.00 6.51 H new ATOM 0 HD3 PRO A 16 2.285 -6.866 7.745 1.00 6.51 H new ATOM 219 N PHE A 17 2.424 -8.561 2.454 1.00 4.76 N ATOM 220 CA PHE A 17 2.084 -9.759 1.623 1.00 4.96 C ATOM 221 C PHE A 17 2.973 -9.798 0.368 1.00 4.78 C ATOM 222 O PHE A 17 3.490 -8.787 -0.071 1.00 4.77 O ATOM 223 CB PHE A 17 0.589 -9.734 1.242 1.00 4.69 C ATOM 224 CG PHE A 17 0.301 -8.687 0.183 1.00 3.72 C ATOM 225 CD1 PHE A 17 0.336 -7.322 0.505 1.00 3.74 C ATOM 226 CD2 PHE A 17 -0.015 -9.088 -1.121 1.00 3.29 C ATOM 227 CE1 PHE A 17 0.059 -6.365 -0.480 1.00 3.14 C ATOM 228 CE2 PHE A 17 -0.293 -8.131 -2.102 1.00 2.59 C ATOM 229 CZ PHE A 17 -0.255 -6.770 -1.782 1.00 2.38 C ATOM 0 H PHE A 17 2.919 -7.820 1.958 1.00 4.76 H new ATOM 0 HA PHE A 17 2.271 -10.663 2.203 1.00 4.96 H new ATOM 0 HB2 PHE A 17 0.290 -10.716 0.875 1.00 4.69 H new ATOM 0 HB3 PHE A 17 -0.010 -9.529 2.129 1.00 4.69 H new ATOM 0 HD1 PHE A 17 0.576 -7.009 1.511 1.00 3.74 H new ATOM 0 HD2 PHE A 17 -0.044 -10.139 -1.370 1.00 3.29 H new ATOM 0 HE1 PHE A 17 0.088 -5.314 -0.234 1.00 3.14 H new ATOM 0 HE2 PHE A 17 -0.537 -8.443 -3.107 1.00 2.59 H new ATOM 0 HZ PHE A 17 -0.468 -6.031 -2.540 1.00 2.38 H new ATOM 239 N HIS A 18 3.159 -10.971 -0.198 1.00 4.92 N ATOM 240 CA HIS A 18 4.020 -11.113 -1.413 1.00 5.06 C ATOM 241 C HIS A 18 3.392 -10.335 -2.600 1.00 4.32 C ATOM 242 O HIS A 18 2.186 -10.319 -2.760 1.00 4.10 O ATOM 243 CB HIS A 18 4.187 -12.608 -1.693 1.00 5.95 C ATOM 244 CG HIS A 18 4.741 -12.811 -3.054 1.00 6.25 C ATOM 245 ND1 HIS A 18 6.098 -12.902 -3.320 1.00 6.36 N ATOM 246 CD2 HIS A 18 4.115 -12.930 -4.241 1.00 6.72 C ATOM 247 CE1 HIS A 18 6.226 -13.069 -4.647 1.00 6.81 C ATOM 248 NE2 HIS A 18 5.044 -13.100 -5.247 1.00 7.07 N ATOM 0 H HIS A 18 2.746 -11.842 0.136 1.00 4.92 H new ATOM 0 HA HIS A 18 5.009 -10.681 -1.259 1.00 5.06 H new ATOM 0 HB2 HIS A 18 4.850 -13.053 -0.951 1.00 5.95 H new ATOM 0 HB3 HIS A 18 3.225 -13.113 -1.604 1.00 5.95 H new ATOM 0 HD1 HIS A 18 6.855 -12.852 -2.638 1.00 6.36 H new ATOM 0 HD2 HIS A 18 3.045 -12.897 -4.384 1.00 6.72 H new ATOM 0 HE1 HIS A 18 7.172 -13.166 -5.160 1.00 6.81 H new ATOM 256 N PRO A 19 4.247 -9.650 -3.350 1.00 4.16 N ATOM 257 CA PRO A 19 3.833 -8.771 -4.480 1.00 3.77 C ATOM 258 C PRO A 19 3.442 -9.508 -5.770 1.00 4.27 C ATOM 259 O PRO A 19 2.499 -9.112 -6.426 1.00 4.32 O ATOM 260 CB PRO A 19 5.074 -7.913 -4.733 1.00 3.96 C ATOM 261 CG PRO A 19 6.277 -8.707 -4.178 1.00 4.62 C ATOM 262 CD PRO A 19 5.711 -9.693 -3.143 1.00 4.65 C ATOM 0 HA PRO A 19 2.931 -8.221 -4.213 1.00 3.77 H new ATOM 0 HB2 PRO A 19 5.198 -7.715 -5.798 1.00 3.96 H new ATOM 0 HB3 PRO A 19 4.985 -6.946 -4.237 1.00 3.96 H new ATOM 0 HG2 PRO A 19 6.793 -9.238 -4.978 1.00 4.62 H new ATOM 0 HG3 PRO A 19 7.004 -8.038 -3.719 1.00 4.62 H new ATOM 0 HD2 PRO A 19 6.104 -10.698 -3.296 1.00 4.65 H new ATOM 0 HD3 PRO A 19 5.977 -9.398 -2.128 1.00 4.65 H new ATOM 270 N LYS A 20 4.164 -10.528 -6.176 1.00 4.91 N ATOM 271 CA LYS A 20 3.814 -11.225 -7.467 1.00 5.52 C ATOM 272 C LYS A 20 2.332 -11.652 -7.481 1.00 5.00 C ATOM 273 O LYS A 20 1.744 -11.789 -8.539 1.00 5.39 O ATOM 274 CB LYS A 20 4.713 -12.434 -7.707 1.00 6.44 C ATOM 275 CG LYS A 20 4.875 -12.664 -9.213 1.00 7.16 C ATOM 276 CD LYS A 20 5.965 -13.711 -9.459 1.00 7.91 C ATOM 277 CE LYS A 20 6.022 -14.054 -10.952 1.00 8.41 C ATOM 278 NZ LYS A 20 5.203 -15.273 -11.218 1.00 8.95 N ATOM 0 H LYS A 20 4.971 -10.907 -5.680 1.00 4.91 H new ATOM 0 HA LYS A 20 3.978 -10.513 -8.276 1.00 5.52 H new ATOM 0 HB2 LYS A 20 5.688 -12.272 -7.247 1.00 6.44 H new ATOM 0 HB3 LYS A 20 4.282 -13.319 -7.238 1.00 6.44 H new ATOM 0 HG2 LYS A 20 3.931 -12.999 -9.643 1.00 7.16 H new ATOM 0 HG3 LYS A 20 5.137 -11.729 -9.708 1.00 7.16 H new ATOM 0 HD2 LYS A 20 6.931 -13.330 -9.126 1.00 7.91 H new ATOM 0 HD3 LYS A 20 5.758 -14.609 -8.877 1.00 7.91 H new ATOM 0 HE2 LYS A 20 5.649 -13.217 -11.542 1.00 8.41 H new ATOM 0 HE3 LYS A 20 7.055 -14.224 -11.257 1.00 8.41 H new ATOM 0 HZ1 LYS A 20 5.243 -15.504 -12.231 1.00 8.95 H new ATOM 0 HZ2 LYS A 20 5.578 -16.071 -10.666 1.00 8.95 H new ATOM 0 HZ3 LYS A 20 4.216 -15.095 -10.942 1.00 8.95 H new ATOM 292 N PHE A 21 1.711 -11.826 -6.329 1.00 4.37 N ATOM 293 CA PHE A 21 0.262 -12.195 -6.299 1.00 4.15 C ATOM 294 C PHE A 21 -0.539 -11.070 -6.966 1.00 3.56 C ATOM 295 O PHE A 21 -1.500 -11.306 -7.674 1.00 3.88 O ATOM 296 CB PHE A 21 -0.219 -12.331 -4.856 1.00 4.02 C ATOM 297 CG PHE A 21 0.557 -13.387 -4.092 1.00 4.64 C ATOM 298 CD1 PHE A 21 1.181 -14.451 -4.761 1.00 5.12 C ATOM 299 CD2 PHE A 21 0.640 -13.300 -2.696 1.00 5.11 C ATOM 300 CE1 PHE A 21 1.886 -15.417 -4.032 1.00 5.85 C ATOM 301 CE2 PHE A 21 1.343 -14.266 -1.970 1.00 5.85 C ATOM 302 CZ PHE A 21 1.966 -15.324 -2.638 1.00 6.13 C ATOM 0 H PHE A 21 2.150 -11.727 -5.414 1.00 4.37 H new ATOM 0 HA PHE A 21 0.122 -13.142 -6.820 1.00 4.15 H new ATOM 0 HB2 PHE A 21 -0.119 -11.371 -4.349 1.00 4.02 H new ATOM 0 HB3 PHE A 21 -1.279 -12.586 -4.850 1.00 4.02 H new ATOM 0 HD1 PHE A 21 1.118 -14.525 -5.837 1.00 5.12 H new ATOM 0 HD2 PHE A 21 0.159 -12.483 -2.179 1.00 5.11 H new ATOM 0 HE1 PHE A 21 2.369 -16.235 -4.546 1.00 5.85 H new ATOM 0 HE2 PHE A 21 1.405 -14.195 -0.894 1.00 5.85 H new ATOM 0 HZ PHE A 21 2.510 -16.070 -2.078 1.00 6.13 H new ATOM 312 N ILE A 22 -0.131 -9.845 -6.727 1.00 2.94 N ATOM 313 CA ILE A 22 -0.822 -8.658 -7.314 1.00 2.62 C ATOM 314 C ILE A 22 -0.804 -8.738 -8.841 1.00 3.41 C ATOM 315 O ILE A 22 0.244 -8.737 -9.463 1.00 4.13 O ATOM 316 CB ILE A 22 -0.091 -7.382 -6.868 1.00 2.18 C ATOM 317 CG1 ILE A 22 -0.098 -7.288 -5.337 1.00 2.00 C ATOM 318 CG2 ILE A 22 -0.790 -6.155 -7.453 1.00 2.53 C ATOM 319 CD1 ILE A 22 1.132 -6.505 -4.868 1.00 2.47 C ATOM 0 H ILE A 22 0.669 -9.617 -6.137 1.00 2.94 H new ATOM 0 HA ILE A 22 -1.856 -8.640 -6.971 1.00 2.62 H new ATOM 0 HB ILE A 22 0.938 -7.419 -7.225 1.00 2.18 H new ATOM 0 HG12 ILE A 22 -1.008 -6.794 -4.996 1.00 2.00 H new ATOM 0 HG13 ILE A 22 -0.095 -8.287 -4.901 1.00 2.00 H new ATOM 0 HG21 ILE A 22 -0.268 -5.253 -7.134 1.00 2.53 H new ATOM 0 HG22 ILE A 22 -0.780 -6.215 -8.541 1.00 2.53 H new ATOM 0 HG23 ILE A 22 -1.821 -6.121 -7.101 1.00 2.53 H new ATOM 0 HD11 ILE A 22 1.128 -6.438 -3.780 1.00 2.47 H new ATOM 0 HD12 ILE A 22 2.036 -7.017 -5.196 1.00 2.47 H new ATOM 0 HD13 ILE A 22 1.109 -5.502 -5.293 1.00 2.47 H new ATOM 331 N LYS A 23 -1.963 -8.781 -9.445 1.00 3.62 N ATOM 332 CA LYS A 23 -2.036 -8.830 -10.934 1.00 4.61 C ATOM 333 C LYS A 23 -1.889 -7.404 -11.488 1.00 5.00 C ATOM 334 O LYS A 23 -1.447 -7.212 -12.605 1.00 5.88 O ATOM 335 CB LYS A 23 -3.388 -9.411 -11.362 1.00 5.10 C ATOM 336 CG LYS A 23 -3.299 -9.910 -12.810 1.00 5.85 C ATOM 337 CD LYS A 23 -4.672 -10.408 -13.271 1.00 6.35 C ATOM 338 CE LYS A 23 -5.579 -9.210 -13.575 1.00 6.93 C ATOM 339 NZ LYS A 23 -6.043 -9.275 -14.992 1.00 7.72 N ATOM 0 H LYS A 23 -2.865 -8.784 -8.969 1.00 3.62 H new ATOM 0 HA LYS A 23 -1.236 -9.461 -11.323 1.00 4.61 H new ATOM 0 HB2 LYS A 23 -3.668 -10.231 -10.701 1.00 5.10 H new ATOM 0 HB3 LYS A 23 -4.165 -8.652 -11.276 1.00 5.10 H new ATOM 0 HG2 LYS A 23 -2.956 -9.106 -13.461 1.00 5.85 H new ATOM 0 HG3 LYS A 23 -2.567 -10.714 -12.883 1.00 5.85 H new ATOM 0 HD2 LYS A 23 -4.565 -11.030 -14.159 1.00 6.35 H new ATOM 0 HD3 LYS A 23 -5.122 -11.031 -12.498 1.00 6.35 H new ATOM 0 HE2 LYS A 23 -6.436 -9.211 -12.902 1.00 6.93 H new ATOM 0 HE3 LYS A 23 -5.038 -8.279 -13.402 1.00 6.93 H new ATOM 0 HZ1 LYS A 23 -6.658 -8.461 -15.194 1.00 7.72 H new ATOM 0 HZ2 LYS A 23 -5.220 -9.254 -15.628 1.00 7.72 H new ATOM 0 HZ3 LYS A 23 -6.575 -10.156 -15.143 1.00 7.72 H new ATOM 353 N GLU A 24 -2.250 -6.404 -10.708 1.00 4.51 N ATOM 354 CA GLU A 24 -2.129 -4.990 -11.179 1.00 5.13 C ATOM 355 C GLU A 24 -1.799 -4.082 -9.984 1.00 4.55 C ATOM 356 O GLU A 24 -2.622 -3.878 -9.111 1.00 4.65 O ATOM 357 CB GLU A 24 -3.450 -4.545 -11.815 1.00 5.78 C ATOM 358 CG GLU A 24 -3.335 -4.621 -13.340 1.00 6.35 C ATOM 359 CD GLU A 24 -4.733 -4.738 -13.954 1.00 7.36 C ATOM 360 OE1 GLU A 24 -5.351 -3.710 -14.174 1.00 7.77 O ATOM 361 OE2 GLU A 24 -5.160 -5.855 -14.194 1.00 7.92 O ATOM 0 H GLU A 24 -2.623 -6.512 -9.765 1.00 4.51 H new ATOM 0 HA GLU A 24 -1.333 -4.920 -11.920 1.00 5.13 H new ATOM 0 HB2 GLU A 24 -4.265 -5.181 -11.469 1.00 5.78 H new ATOM 0 HB3 GLU A 24 -3.689 -3.527 -11.508 1.00 5.78 H new ATOM 0 HG2 GLU A 24 -2.832 -3.733 -13.722 1.00 6.35 H new ATOM 0 HG3 GLU A 24 -2.727 -5.479 -13.627 1.00 6.35 H new HETATM 368 N MLE A 25 -0.600 -3.541 -9.934 1.00 4.25 N HETATM 369 CN MLE A 25 -0.024 -3.021 -11.217 1.00 5.13 C HETATM 370 CA MLE A 25 -0.224 -2.652 -8.781 1.00 3.66 C HETATM 371 CB MLE A 25 1.153 -3.061 -8.237 1.00 3.52 C HETATM 372 CG MLE A 25 1.634 -2.023 -7.211 1.00 3.28 C HETATM 373 CD1 MLE A 25 2.256 -2.735 -6.014 1.00 2.93 C HETATM 374 CD2 MLE A 25 2.677 -1.101 -7.857 1.00 3.54 C HETATM 375 C MLE A 25 -0.170 -1.193 -9.246 1.00 4.19 C HETATM 376 O MLE A 25 0.774 -0.774 -9.895 1.00 4.87 O HETATM 0 HD23 MLE A 25 3.527 -1.694 -8.196 1.00 3.54 H new HETATM 0 HD22 MLE A 25 2.231 -0.587 -8.708 1.00 3.54 H new HETATM 0 HD21 MLE A 25 3.016 -0.366 -7.126 1.00 3.54 H new HETATM 0 HD13 MLE A 25 1.513 -3.384 -5.550 1.00 2.93 H new HETATM 0 HD12 MLE A 25 3.104 -3.334 -6.347 1.00 2.93 H new HETATM 0 HD11 MLE A 25 2.596 -1.997 -5.288 1.00 2.93 H new HETATM 0 HN3 MLE A 25 -0.406 -2.018 -11.407 1.00 5.13 H new HETATM 0 HN2 MLE A 25 1.063 -2.986 -11.140 1.00 5.13 H new HETATM 0 HN1 MLE A 25 -0.309 -3.680 -12.037 1.00 5.13 H new HETATM 0 HG MLE A 25 0.784 -1.428 -6.877 1.00 3.28 H new HETATM 0 HB3 MLE A 25 1.093 -4.045 -7.772 1.00 3.52 H new HETATM 0 HB2 MLE A 25 1.870 -3.137 -9.055 1.00 3.52 H new HETATM 0 HA MLE A 25 -0.972 -2.756 -7.995 1.00 3.66 H new ATOM 390 N ARG A 26 -1.166 -0.414 -8.928 1.00 4.14 N ATOM 391 CA ARG A 26 -1.138 1.003 -9.366 1.00 4.79 C ATOM 392 C ARG A 26 -1.201 1.928 -8.146 1.00 4.70 C ATOM 393 O ARG A 26 -2.121 1.862 -7.352 1.00 4.97 O ATOM 394 CB ARG A 26 -2.320 1.285 -10.287 1.00 5.59 C ATOM 395 CG ARG A 26 -1.812 1.696 -11.672 1.00 5.99 C ATOM 396 CD ARG A 26 -2.961 2.314 -12.476 1.00 6.35 C ATOM 397 NE ARG A 26 -2.470 2.715 -13.826 1.00 7.16 N ATOM 398 CZ ARG A 26 -3.317 2.862 -14.813 1.00 7.92 C ATOM 399 NH1 ARG A 26 -4.003 3.971 -14.923 1.00 8.32 N ATOM 400 NH2 ARG A 26 -3.476 1.901 -15.688 1.00 8.52 N ATOM 0 H ARG A 26 -1.986 -0.695 -8.391 1.00 4.14 H new ATOM 0 HA ARG A 26 -0.210 1.188 -9.907 1.00 4.79 H new ATOM 0 HB2 ARG A 26 -2.949 0.398 -10.369 1.00 5.59 H new ATOM 0 HB3 ARG A 26 -2.939 2.077 -9.867 1.00 5.59 H new ATOM 0 HG2 ARG A 26 -0.996 2.412 -11.574 1.00 5.99 H new ATOM 0 HG3 ARG A 26 -1.413 0.828 -12.197 1.00 5.99 H new ATOM 0 HD2 ARG A 26 -3.777 1.597 -12.573 1.00 6.35 H new ATOM 0 HD3 ARG A 26 -3.360 3.182 -11.951 1.00 6.35 H new ATOM 0 HE ARG A 26 -1.474 2.875 -13.980 1.00 7.16 H new ATOM 0 HH11 ARG A 26 -3.877 4.718 -14.240 1.00 8.32 H new ATOM 0 HH12 ARG A 26 -4.664 4.088 -15.691 1.00 8.32 H new ATOM 0 HH21 ARG A 26 -2.940 1.038 -15.600 1.00 8.52 H new ATOM 0 HH22 ARG A 26 -4.136 2.016 -16.457 1.00 8.52 H new ATOM 414 N VAL A 27 -0.228 2.791 -7.992 1.00 4.69 N ATOM 415 CA VAL A 27 -0.216 3.723 -6.830 1.00 4.83 C ATOM 416 C VAL A 27 -0.719 5.104 -7.274 1.00 4.79 C ATOM 417 O VAL A 27 -0.533 5.504 -8.410 1.00 5.45 O ATOM 418 CB VAL A 27 1.213 3.843 -6.287 1.00 5.66 C ATOM 419 CG1 VAL A 27 1.653 2.501 -5.699 1.00 6.10 C ATOM 420 CG2 VAL A 27 2.178 4.245 -7.413 1.00 6.04 C ATOM 0 H VAL A 27 0.563 2.888 -8.628 1.00 4.69 H new ATOM 0 HA VAL A 27 -0.869 3.337 -6.047 1.00 4.83 H new ATOM 0 HB VAL A 27 1.231 4.609 -5.512 1.00 5.66 H new ATOM 0 HG11 VAL A 27 2.669 2.588 -5.314 1.00 6.10 H new ATOM 0 HG12 VAL A 27 0.980 2.221 -4.889 1.00 6.10 H new ATOM 0 HG13 VAL A 27 1.624 1.737 -6.475 1.00 6.10 H new ATOM 0 HG21 VAL A 27 3.189 4.327 -7.014 1.00 6.04 H new ATOM 0 HG22 VAL A 27 2.158 3.488 -8.197 1.00 6.04 H new ATOM 0 HG23 VAL A 27 1.873 5.206 -7.828 1.00 6.04 H new ATOM 430 N ILE A 28 -1.349 5.837 -6.386 1.00 4.28 N ATOM 431 CA ILE A 28 -1.855 7.195 -6.754 1.00 4.40 C ATOM 432 C ILE A 28 -0.948 8.254 -6.121 1.00 4.70 C ATOM 433 O ILE A 28 -0.527 8.121 -4.987 1.00 5.01 O ATOM 434 CB ILE A 28 -3.295 7.370 -6.250 1.00 4.45 C ATOM 435 CG1 ILE A 28 -4.200 6.337 -6.934 1.00 4.94 C ATOM 436 CG2 ILE A 28 -3.791 8.782 -6.588 1.00 4.49 C ATOM 437 CD1 ILE A 28 -5.637 6.490 -6.428 1.00 5.05 C ATOM 0 H ILE A 28 -1.534 5.553 -5.424 1.00 4.28 H new ATOM 0 HA ILE A 28 -1.847 7.308 -7.838 1.00 4.40 H new ATOM 0 HB ILE A 28 -3.322 7.225 -5.170 1.00 4.45 H new ATOM 0 HG12 ILE A 28 -4.169 6.472 -8.015 1.00 4.94 H new ATOM 0 HG13 ILE A 28 -3.838 5.330 -6.728 1.00 4.94 H new ATOM 0 HG21 ILE A 28 -4.813 8.904 -6.230 1.00 4.49 H new ATOM 0 HG22 ILE A 28 -3.147 9.519 -6.107 1.00 4.49 H new ATOM 0 HG23 ILE A 28 -3.765 8.928 -7.668 1.00 4.49 H new ATOM 0 HD11 ILE A 28 -6.275 5.754 -6.917 1.00 5.05 H new ATOM 0 HD12 ILE A 28 -5.662 6.332 -5.350 1.00 5.05 H new ATOM 0 HD13 ILE A 28 -5.998 7.493 -6.657 1.00 5.05 H new ATOM 449 N GLU A 29 -0.642 9.301 -6.850 1.00 5.08 N ATOM 450 CA GLU A 29 0.243 10.374 -6.305 1.00 5.75 C ATOM 451 C GLU A 29 -0.509 11.191 -5.245 1.00 5.30 C ATOM 452 O GLU A 29 -1.674 10.957 -4.970 1.00 4.95 O ATOM 453 CB GLU A 29 0.678 11.295 -7.449 1.00 6.63 C ATOM 454 CG GLU A 29 1.784 10.614 -8.266 1.00 7.40 C ATOM 455 CD GLU A 29 1.263 10.288 -9.669 1.00 8.35 C ATOM 456 OE1 GLU A 29 0.530 9.321 -9.799 1.00 9.09 O ATOM 457 OE2 GLU A 29 1.608 11.010 -10.590 1.00 8.53 O ATOM 0 H GLU A 29 -0.970 9.457 -7.803 1.00 5.08 H new ATOM 0 HA GLU A 29 1.119 9.918 -5.843 1.00 5.75 H new ATOM 0 HB2 GLU A 29 -0.174 11.523 -8.090 1.00 6.63 H new ATOM 0 HB3 GLU A 29 1.038 12.243 -7.049 1.00 6.63 H new ATOM 0 HG2 GLU A 29 2.654 11.267 -8.333 1.00 7.40 H new ATOM 0 HG3 GLU A 29 2.108 9.701 -7.767 1.00 7.40 H new ATOM 464 N SER A 30 0.155 12.148 -4.647 1.00 5.67 N ATOM 465 CA SER A 30 -0.499 12.989 -3.601 1.00 5.68 C ATOM 466 C SER A 30 -0.734 14.406 -4.141 1.00 6.20 C ATOM 467 O SER A 30 -0.123 14.827 -5.105 1.00 6.77 O ATOM 468 CB SER A 30 0.395 13.056 -2.358 1.00 6.35 C ATOM 469 OG SER A 30 1.760 12.928 -2.737 1.00 7.18 O ATOM 0 H SER A 30 1.128 12.383 -4.841 1.00 5.67 H new ATOM 0 HA SER A 30 -1.457 12.543 -3.335 1.00 5.68 H new ATOM 0 HB2 SER A 30 0.240 14.001 -1.838 1.00 6.35 H new ATOM 0 HB3 SER A 30 0.126 12.262 -1.662 1.00 6.35 H new ATOM 0 HG SER A 30 2.112 12.074 -2.409 1.00 7.18 H new ATOM 475 N GLY A 31 -1.622 15.137 -3.516 1.00 6.36 N ATOM 476 CA GLY A 31 -1.923 16.531 -3.966 1.00 7.19 C ATOM 477 C GLY A 31 -2.775 17.226 -2.895 1.00 7.66 C ATOM 478 O GLY A 31 -2.688 16.885 -1.730 1.00 7.75 O ATOM 0 H GLY A 31 -2.157 14.825 -2.705 1.00 6.36 H new ATOM 0 HA2 GLY A 31 -0.997 17.083 -4.128 1.00 7.19 H new ATOM 0 HA3 GLY A 31 -2.454 16.514 -4.918 1.00 7.19 H new ATOM 482 N PRO A 32 -3.602 18.158 -3.318 1.00 8.17 N ATOM 483 CA PRO A 32 -4.510 18.878 -2.402 1.00 8.85 C ATOM 484 C PRO A 32 -5.645 17.931 -1.987 1.00 8.11 C ATOM 485 O PRO A 32 -6.105 17.946 -0.861 1.00 8.52 O ATOM 486 CB PRO A 32 -5.017 20.055 -3.242 1.00 9.69 C ATOM 487 CG PRO A 32 -4.820 19.651 -4.723 1.00 9.20 C ATOM 488 CD PRO A 32 -3.717 18.574 -4.736 1.00 8.39 C ATOM 0 HA PRO A 32 -4.042 19.223 -1.480 1.00 8.85 H new ATOM 0 HB2 PRO A 32 -6.067 20.259 -3.031 1.00 9.69 H new ATOM 0 HB3 PRO A 32 -4.463 20.965 -3.010 1.00 9.69 H new ATOM 0 HG2 PRO A 32 -5.747 19.263 -5.147 1.00 9.20 H new ATOM 0 HG3 PRO A 32 -4.530 20.512 -5.325 1.00 9.20 H new ATOM 0 HD2 PRO A 32 -3.987 17.735 -5.377 1.00 8.39 H new ATOM 0 HD3 PRO A 32 -2.775 18.973 -5.112 1.00 8.39 H new ATOM 496 N HIS A 33 -6.062 17.087 -2.901 1.00 7.21 N ATOM 497 CA HIS A 33 -7.134 16.082 -2.619 1.00 6.64 C ATOM 498 C HIS A 33 -6.676 15.150 -1.478 1.00 5.94 C ATOM 499 O HIS A 33 -7.454 14.772 -0.623 1.00 6.05 O ATOM 500 CB HIS A 33 -7.394 15.257 -3.897 1.00 6.27 C ATOM 501 CG HIS A 33 -6.129 14.537 -4.319 1.00 5.79 C ATOM 502 ND1 HIS A 33 -5.094 15.180 -4.987 1.00 6.54 N ATOM 503 CD2 HIS A 33 -5.699 13.246 -4.129 1.00 4.91 C ATOM 504 CE1 HIS A 33 -4.102 14.290 -5.159 1.00 6.20 C ATOM 505 NE2 HIS A 33 -4.420 13.093 -4.659 1.00 5.23 N ATOM 0 H HIS A 33 -5.695 17.053 -3.852 1.00 7.21 H new ATOM 0 HA HIS A 33 -8.051 16.589 -2.318 1.00 6.64 H new ATOM 0 HB2 HIS A 33 -8.190 14.534 -3.717 1.00 6.27 H new ATOM 0 HB3 HIS A 33 -7.734 15.912 -4.699 1.00 6.27 H new ATOM 0 HD2 HIS A 33 -6.267 12.467 -3.642 1.00 4.91 H new ATOM 0 HE1 HIS A 33 -3.163 14.515 -5.642 1.00 6.20 H new ATOM 0 HE2 HIS A 33 -3.849 12.248 -4.664 1.00 5.23 H new ATOM 513 N CYS A 34 -5.412 14.793 -1.466 1.00 5.51 N ATOM 514 CA CYS A 34 -4.868 13.905 -0.404 1.00 5.12 C ATOM 515 C CYS A 34 -3.360 14.155 -0.281 1.00 5.54 C ATOM 516 O CYS A 34 -2.591 13.797 -1.155 1.00 5.84 O ATOM 517 CB CYS A 34 -5.123 12.433 -0.760 1.00 4.12 C ATOM 518 SG CYS A 34 -5.249 11.459 0.761 1.00 4.37 S ATOM 0 H CYS A 34 -4.728 15.088 -2.163 1.00 5.51 H new ATOM 0 HA CYS A 34 -5.362 14.122 0.543 1.00 5.12 H new ATOM 0 HB2 CYS A 34 -6.041 12.342 -1.340 1.00 4.12 H new ATOM 0 HB3 CYS A 34 -4.313 12.052 -1.382 1.00 4.12 H new ATOM 523 N ALA A 35 -2.936 14.782 0.790 1.00 5.90 N ATOM 524 CA ALA A 35 -1.479 15.079 0.972 1.00 6.66 C ATOM 525 C ALA A 35 -0.668 13.781 1.098 1.00 6.33 C ATOM 526 O ALA A 35 0.462 13.709 0.651 1.00 6.77 O ATOM 527 CB ALA A 35 -1.288 15.920 2.236 1.00 7.59 C ATOM 0 H ALA A 35 -3.538 15.102 1.549 1.00 5.90 H new ATOM 0 HA ALA A 35 -1.124 15.627 0.099 1.00 6.66 H new ATOM 0 HB1 ALA A 35 -0.229 16.138 2.371 1.00 7.59 H new ATOM 0 HB2 ALA A 35 -1.841 16.854 2.138 1.00 7.59 H new ATOM 0 HB3 ALA A 35 -1.658 15.368 3.100 1.00 7.59 H new ATOM 533 N ASN A 36 -1.226 12.761 1.705 1.00 5.85 N ATOM 534 CA ASN A 36 -0.479 11.476 1.861 1.00 5.88 C ATOM 535 C ASN A 36 -0.648 10.613 0.606 1.00 5.34 C ATOM 536 O ASN A 36 -1.740 10.459 0.089 1.00 5.26 O ATOM 537 CB ASN A 36 -1.018 10.719 3.079 1.00 6.50 C ATOM 538 CG ASN A 36 -0.251 11.151 4.332 1.00 7.27 C ATOM 539 OD1 ASN A 36 -0.570 12.157 4.935 1.00 7.78 O ATOM 540 ND2 ASN A 36 0.755 10.431 4.753 1.00 7.61 N ATOM 0 H ASN A 36 -2.167 12.764 2.099 1.00 5.85 H new ATOM 0 HA ASN A 36 0.580 11.693 2.002 1.00 5.88 H new ATOM 0 HB2 ASN A 36 -2.082 10.921 3.204 1.00 6.50 H new ATOM 0 HB3 ASN A 36 -0.913 9.645 2.928 1.00 6.50 H new ATOM 0 HD21 ASN A 36 1.271 10.714 5.586 1.00 7.61 H new ATOM 0 HD22 ASN A 36 1.024 9.586 4.248 1.00 7.61 H new ATOM 547 N THR A 37 0.431 10.042 0.121 1.00 5.30 N ATOM 548 CA THR A 37 0.354 9.173 -1.096 1.00 5.18 C ATOM 549 C THR A 37 -0.294 7.835 -0.713 1.00 4.58 C ATOM 550 O THR A 37 -0.240 7.422 0.432 1.00 4.95 O ATOM 551 CB THR A 37 1.769 8.929 -1.646 1.00 5.98 C ATOM 552 OG1 THR A 37 2.558 10.101 -1.473 1.00 6.76 O ATOM 553 CG2 THR A 37 1.696 8.588 -3.134 1.00 6.31 C ATOM 0 H THR A 37 1.365 10.142 0.519 1.00 5.30 H new ATOM 0 HA THR A 37 -0.245 9.663 -1.864 1.00 5.18 H new ATOM 0 HB THR A 37 2.222 8.098 -1.105 1.00 5.98 H new ATOM 0 HG1 THR A 37 3.460 9.943 -1.823 1.00 6.76 H new ATOM 0 HG21 THR A 37 2.702 8.416 -3.518 1.00 6.31 H new ATOM 0 HG22 THR A 37 1.096 7.688 -3.272 1.00 6.31 H new ATOM 0 HG23 THR A 37 1.238 9.416 -3.675 1.00 6.31 H new ATOM 561 N GLU A 38 -0.916 7.159 -1.652 1.00 3.94 N ATOM 562 CA GLU A 38 -1.573 5.860 -1.322 1.00 3.67 C ATOM 563 C GLU A 38 -1.298 4.829 -2.418 1.00 2.99 C ATOM 564 O GLU A 38 -1.221 5.158 -3.588 1.00 3.33 O ATOM 565 CB GLU A 38 -3.084 6.077 -1.201 1.00 4.35 C ATOM 566 CG GLU A 38 -3.675 5.054 -0.228 1.00 4.96 C ATOM 567 CD GLU A 38 -4.806 5.703 0.571 1.00 5.76 C ATOM 568 OE1 GLU A 38 -5.882 5.861 0.018 1.00 6.28 O ATOM 569 OE2 GLU A 38 -4.577 6.035 1.723 1.00 6.10 O ATOM 0 H GLU A 38 -0.995 7.452 -2.626 1.00 3.94 H new ATOM 0 HA GLU A 38 -1.170 5.489 -0.379 1.00 3.67 H new ATOM 0 HB2 GLU A 38 -3.289 7.088 -0.850 1.00 4.35 H new ATOM 0 HB3 GLU A 38 -3.555 5.978 -2.179 1.00 4.35 H new ATOM 0 HG2 GLU A 38 -4.052 4.191 -0.776 1.00 4.96 H new ATOM 0 HG3 GLU A 38 -2.901 4.690 0.447 1.00 4.96 H new ATOM 576 N ILE A 39 -1.168 3.580 -2.043 1.00 2.48 N ATOM 577 CA ILE A 39 -0.914 2.508 -3.050 1.00 2.38 C ATOM 578 C ILE A 39 -2.234 1.770 -3.325 1.00 2.16 C ATOM 579 O ILE A 39 -3.132 1.775 -2.506 1.00 2.22 O ATOM 580 CB ILE A 39 0.131 1.531 -2.481 1.00 2.57 C ATOM 581 CG1 ILE A 39 1.491 2.234 -2.378 1.00 2.79 C ATOM 582 CG2 ILE A 39 0.266 0.303 -3.390 1.00 3.44 C ATOM 583 CD1 ILE A 39 1.793 2.569 -0.915 1.00 2.94 C ATOM 0 H ILE A 39 -1.228 3.257 -1.077 1.00 2.48 H new ATOM 0 HA ILE A 39 -0.538 2.934 -3.980 1.00 2.38 H new ATOM 0 HB ILE A 39 -0.195 1.208 -1.492 1.00 2.57 H new ATOM 0 HG12 ILE A 39 2.274 1.592 -2.783 1.00 2.79 H new ATOM 0 HG13 ILE A 39 1.486 3.146 -2.976 1.00 2.79 H new ATOM 0 HG21 ILE A 39 1.009 -0.378 -2.974 1.00 3.44 H new ATOM 0 HG22 ILE A 39 -0.695 -0.206 -3.459 1.00 3.44 H new ATOM 0 HG23 ILE A 39 0.581 0.619 -4.384 1.00 3.44 H new ATOM 0 HD11 ILE A 39 2.760 3.068 -0.848 1.00 2.94 H new ATOM 0 HD12 ILE A 39 1.017 3.228 -0.525 1.00 2.94 H new ATOM 0 HD13 ILE A 39 1.818 1.650 -0.329 1.00 2.94 H new ATOM 595 N ILE A 40 -2.357 1.129 -4.465 1.00 2.34 N ATOM 596 CA ILE A 40 -3.614 0.377 -4.772 1.00 2.36 C ATOM 597 C ILE A 40 -3.270 -0.840 -5.629 1.00 2.37 C ATOM 598 O ILE A 40 -2.989 -0.729 -6.808 1.00 3.02 O ATOM 599 CB ILE A 40 -4.622 1.255 -5.521 1.00 3.14 C ATOM 600 CG1 ILE A 40 -4.904 2.524 -4.711 1.00 3.44 C ATOM 601 CG2 ILE A 40 -5.922 0.462 -5.702 1.00 3.70 C ATOM 602 CD1 ILE A 40 -5.724 3.502 -5.551 1.00 4.01 C ATOM 0 H ILE A 40 -1.643 1.095 -5.193 1.00 2.34 H new ATOM 0 HA ILE A 40 -4.068 0.066 -3.831 1.00 2.36 H new ATOM 0 HB ILE A 40 -4.218 1.538 -6.493 1.00 3.14 H new ATOM 0 HG12 ILE A 40 -5.445 2.272 -3.799 1.00 3.44 H new ATOM 0 HG13 ILE A 40 -3.966 2.989 -4.407 1.00 3.44 H new ATOM 0 HG21 ILE A 40 -6.650 1.074 -6.234 1.00 3.70 H new ATOM 0 HG22 ILE A 40 -5.720 -0.442 -6.276 1.00 3.70 H new ATOM 0 HG23 ILE A 40 -6.321 0.190 -4.725 1.00 3.70 H new ATOM 0 HD11 ILE A 40 -5.922 4.403 -4.970 1.00 4.01 H new ATOM 0 HD12 ILE A 40 -5.167 3.765 -6.450 1.00 4.01 H new ATOM 0 HD13 ILE A 40 -6.669 3.037 -5.832 1.00 4.01 H new ATOM 614 N VAL A 41 -3.286 -1.998 -5.034 1.00 2.04 N ATOM 615 CA VAL A 41 -2.957 -3.241 -5.774 1.00 2.10 C ATOM 616 C VAL A 41 -4.233 -4.063 -6.016 1.00 2.33 C ATOM 617 O VAL A 41 -5.278 -3.789 -5.457 1.00 2.79 O ATOM 618 CB VAL A 41 -1.965 -4.064 -4.944 1.00 2.21 C ATOM 619 CG1 VAL A 41 -0.666 -3.274 -4.763 1.00 2.87 C ATOM 620 CG2 VAL A 41 -2.562 -4.380 -3.565 1.00 3.20 C ATOM 0 H VAL A 41 -3.517 -2.136 -4.050 1.00 2.04 H new ATOM 0 HA VAL A 41 -2.515 -2.986 -6.737 1.00 2.10 H new ATOM 0 HB VAL A 41 -1.758 -4.998 -5.467 1.00 2.21 H new ATOM 0 HG11 VAL A 41 0.038 -3.861 -4.173 1.00 2.87 H new ATOM 0 HG12 VAL A 41 -0.231 -3.061 -5.739 1.00 2.87 H new ATOM 0 HG13 VAL A 41 -0.879 -2.337 -4.248 1.00 2.87 H new ATOM 0 HG21 VAL A 41 -1.848 -4.965 -2.985 1.00 3.20 H new ATOM 0 HG22 VAL A 41 -2.780 -3.449 -3.041 1.00 3.20 H new ATOM 0 HG23 VAL A 41 -3.483 -4.950 -3.689 1.00 3.20 H new ATOM 630 N LYS A 42 -4.139 -5.071 -6.843 1.00 2.44 N ATOM 631 CA LYS A 42 -5.318 -5.938 -7.134 1.00 2.97 C ATOM 632 C LYS A 42 -4.876 -7.404 -7.062 1.00 2.77 C ATOM 633 O LYS A 42 -4.227 -7.909 -7.960 1.00 2.98 O ATOM 634 CB LYS A 42 -5.859 -5.624 -8.535 1.00 3.77 C ATOM 635 CG LYS A 42 -7.318 -5.169 -8.436 1.00 4.68 C ATOM 636 CD LYS A 42 -7.767 -4.590 -9.782 1.00 5.42 C ATOM 637 CE LYS A 42 -8.175 -5.729 -10.724 1.00 5.72 C ATOM 638 NZ LYS A 42 -7.356 -5.671 -11.970 1.00 6.76 N ATOM 0 H LYS A 42 -3.285 -5.333 -7.335 1.00 2.44 H new ATOM 0 HA LYS A 42 -6.107 -5.753 -6.405 1.00 2.97 H new ATOM 0 HB2 LYS A 42 -5.256 -4.845 -9.002 1.00 3.77 H new ATOM 0 HB3 LYS A 42 -5.786 -6.507 -9.170 1.00 3.77 H new ATOM 0 HG2 LYS A 42 -7.954 -6.010 -8.160 1.00 4.68 H new ATOM 0 HG3 LYS A 42 -7.423 -4.419 -7.652 1.00 4.68 H new ATOM 0 HD2 LYS A 42 -8.605 -3.909 -9.634 1.00 5.42 H new ATOM 0 HD3 LYS A 42 -6.959 -4.009 -10.227 1.00 5.42 H new ATOM 0 HE2 LYS A 42 -8.034 -6.690 -10.230 1.00 5.72 H new ATOM 0 HE3 LYS A 42 -9.234 -5.649 -10.970 1.00 5.72 H new ATOM 0 HZ1 LYS A 42 -7.636 -6.445 -12.606 1.00 6.76 H new ATOM 0 HZ2 LYS A 42 -7.511 -4.759 -12.445 1.00 6.76 H new ATOM 0 HZ3 LYS A 42 -6.349 -5.768 -11.728 1.00 6.76 H new ATOM 652 N LEU A 43 -5.211 -8.081 -5.990 1.00 3.01 N ATOM 653 CA LEU A 43 -4.807 -9.510 -5.824 1.00 3.31 C ATOM 654 C LEU A 43 -5.337 -10.366 -6.980 1.00 3.92 C ATOM 655 O LEU A 43 -6.391 -10.103 -7.533 1.00 4.54 O ATOM 656 CB LEU A 43 -5.370 -10.042 -4.507 1.00 4.01 C ATOM 657 CG LEU A 43 -4.493 -9.570 -3.340 1.00 3.77 C ATOM 658 CD1 LEU A 43 -5.145 -9.959 -2.011 1.00 4.46 C ATOM 659 CD2 LEU A 43 -3.109 -10.224 -3.435 1.00 3.91 C ATOM 0 H LEU A 43 -5.753 -7.699 -5.215 1.00 3.01 H new ATOM 0 HA LEU A 43 -3.718 -9.565 -5.820 1.00 3.31 H new ATOM 0 HB2 LEU A 43 -6.393 -9.692 -4.370 1.00 4.01 H new ATOM 0 HB3 LEU A 43 -5.406 -11.131 -4.530 1.00 4.01 H new ATOM 0 HG LEU A 43 -4.389 -8.486 -3.390 1.00 3.77 H new ATOM 0 HD11 LEU A 43 -4.518 -9.621 -1.186 1.00 4.46 H new ATOM 0 HD12 LEU A 43 -6.126 -9.491 -1.936 1.00 4.46 H new ATOM 0 HD13 LEU A 43 -5.255 -11.042 -1.963 1.00 4.46 H new ATOM 0 HD21 LEU A 43 -2.489 -9.886 -2.604 1.00 3.91 H new ATOM 0 HD22 LEU A 43 -3.215 -11.308 -3.391 1.00 3.91 H new ATOM 0 HD23 LEU A 43 -2.638 -9.943 -4.377 1.00 3.91 H new ATOM 671 N SER A 44 -4.594 -11.394 -7.332 1.00 3.99 N ATOM 672 CA SER A 44 -4.994 -12.309 -8.447 1.00 4.72 C ATOM 673 C SER A 44 -6.386 -12.914 -8.198 1.00 5.55 C ATOM 674 O SER A 44 -7.059 -13.319 -9.129 1.00 6.08 O ATOM 675 CB SER A 44 -3.967 -13.440 -8.565 1.00 4.98 C ATOM 676 OG SER A 44 -3.920 -13.892 -9.912 1.00 5.08 O ATOM 0 H SER A 44 -3.712 -11.639 -6.883 1.00 3.99 H new ATOM 0 HA SER A 44 -5.030 -11.730 -9.370 1.00 4.72 H new ATOM 0 HB2 SER A 44 -2.984 -13.088 -8.253 1.00 4.98 H new ATOM 0 HB3 SER A 44 -4.237 -14.262 -7.902 1.00 4.98 H new ATOM 0 HG SER A 44 -3.263 -14.615 -9.992 1.00 5.08 H new ATOM 682 N ASP A 45 -6.827 -12.978 -6.962 1.00 5.91 N ATOM 683 CA ASP A 45 -8.170 -13.551 -6.666 1.00 7.02 C ATOM 684 C ASP A 45 -9.274 -12.500 -6.900 1.00 7.25 C ATOM 685 O ASP A 45 -10.379 -12.636 -6.404 1.00 8.19 O ATOM 686 CB ASP A 45 -8.205 -14.021 -5.207 1.00 7.64 C ATOM 687 CG ASP A 45 -7.422 -15.330 -5.070 1.00 8.01 C ATOM 688 OD1 ASP A 45 -6.202 -15.271 -5.052 1.00 7.89 O ATOM 689 OD2 ASP A 45 -8.056 -16.369 -4.983 1.00 8.63 O ATOM 0 H ASP A 45 -6.308 -12.655 -6.146 1.00 5.91 H new ATOM 0 HA ASP A 45 -8.351 -14.394 -7.333 1.00 7.02 H new ATOM 0 HB2 ASP A 45 -7.774 -13.258 -4.558 1.00 7.64 H new ATOM 0 HB3 ASP A 45 -9.236 -14.167 -4.886 1.00 7.64 H new ATOM 694 N GLY A 46 -8.991 -11.456 -7.654 1.00 6.57 N ATOM 695 CA GLY A 46 -10.018 -10.407 -7.918 1.00 7.07 C ATOM 696 C GLY A 46 -10.239 -9.557 -6.665 1.00 6.74 C ATOM 697 O GLY A 46 -11.335 -9.090 -6.418 1.00 7.17 O ATOM 0 H GLY A 46 -8.087 -11.292 -8.096 1.00 6.57 H new ATOM 0 HA2 GLY A 46 -9.697 -9.773 -8.744 1.00 7.07 H new ATOM 0 HA3 GLY A 46 -10.956 -10.874 -8.220 1.00 7.07 H new ATOM 701 N ARG A 47 -9.214 -9.354 -5.868 1.00 6.21 N ATOM 702 CA ARG A 47 -9.383 -8.537 -4.631 1.00 6.07 C ATOM 703 C ARG A 47 -8.729 -7.162 -4.820 1.00 5.32 C ATOM 704 O ARG A 47 -7.949 -6.954 -5.730 1.00 5.06 O ATOM 705 CB ARG A 47 -8.723 -9.266 -3.459 1.00 6.43 C ATOM 706 CG ARG A 47 -9.329 -8.784 -2.137 1.00 7.27 C ATOM 707 CD ARG A 47 -9.607 -9.988 -1.234 1.00 7.96 C ATOM 708 NE ARG A 47 -9.874 -9.520 0.157 1.00 8.82 N ATOM 709 CZ ARG A 47 -9.467 -10.232 1.175 1.00 9.62 C ATOM 710 NH1 ARG A 47 -8.255 -10.071 1.643 1.00 10.15 N ATOM 711 NH2 ARG A 47 -10.271 -11.106 1.724 1.00 10.10 N ATOM 0 H ARG A 47 -8.274 -9.719 -6.023 1.00 6.21 H new ATOM 0 HA ARG A 47 -10.445 -8.397 -4.427 1.00 6.07 H new ATOM 0 HB2 ARG A 47 -8.864 -10.342 -3.563 1.00 6.43 H new ATOM 0 HB3 ARG A 47 -7.648 -9.083 -3.464 1.00 6.43 H new ATOM 0 HG2 ARG A 47 -8.646 -8.094 -1.641 1.00 7.27 H new ATOM 0 HG3 ARG A 47 -10.253 -8.237 -2.326 1.00 7.27 H new ATOM 0 HD2 ARG A 47 -10.463 -10.548 -1.611 1.00 7.96 H new ATOM 0 HD3 ARG A 47 -8.754 -10.666 -1.243 1.00 7.96 H new ATOM 0 HE ARG A 47 -10.374 -8.645 0.314 1.00 8.82 H new ATOM 0 HH11 ARG A 47 -7.629 -9.390 1.213 1.00 10.15 H new ATOM 0 HH12 ARG A 47 -7.937 -10.626 2.437 1.00 10.15 H new ATOM 0 HH21 ARG A 47 -11.215 -11.231 1.358 1.00 10.10 H new ATOM 0 HH22 ARG A 47 -9.954 -11.662 2.518 1.00 10.10 H new ATOM 725 N GLU A 48 -9.044 -6.226 -3.959 1.00 5.24 N ATOM 726 CA GLU A 48 -8.446 -4.861 -4.061 1.00 4.73 C ATOM 727 C GLU A 48 -8.002 -4.420 -2.665 1.00 4.69 C ATOM 728 O GLU A 48 -8.794 -4.376 -1.740 1.00 5.44 O ATOM 729 CB GLU A 48 -9.484 -3.877 -4.610 1.00 5.60 C ATOM 730 CG GLU A 48 -8.772 -2.664 -5.217 1.00 5.76 C ATOM 731 CD GLU A 48 -9.809 -1.650 -5.708 1.00 6.79 C ATOM 732 OE1 GLU A 48 -10.337 -1.848 -6.791 1.00 7.44 O ATOM 733 OE2 GLU A 48 -10.056 -0.690 -4.995 1.00 7.12 O ATOM 0 H GLU A 48 -9.695 -6.351 -3.184 1.00 5.24 H new ATOM 0 HA GLU A 48 -7.591 -4.879 -4.737 1.00 4.73 H new ATOM 0 HB2 GLU A 48 -10.099 -4.366 -5.365 1.00 5.60 H new ATOM 0 HB3 GLU A 48 -10.154 -3.556 -3.812 1.00 5.60 H new ATOM 0 HG2 GLU A 48 -8.121 -2.203 -4.474 1.00 5.76 H new ATOM 0 HG3 GLU A 48 -8.137 -2.979 -6.045 1.00 5.76 H new ATOM 740 N LEU A 49 -6.744 -4.103 -2.504 1.00 4.08 N ATOM 741 CA LEU A 49 -6.245 -3.674 -1.165 1.00 4.35 C ATOM 742 C LEU A 49 -5.308 -2.483 -1.322 1.00 3.99 C ATOM 743 O LEU A 49 -4.276 -2.581 -1.953 1.00 3.87 O ATOM 744 CB LEU A 49 -5.459 -4.815 -0.516 1.00 4.67 C ATOM 745 CG LEU A 49 -6.231 -5.392 0.676 1.00 4.92 C ATOM 746 CD1 LEU A 49 -7.234 -6.435 0.186 1.00 5.51 C ATOM 747 CD2 LEU A 49 -5.243 -6.058 1.637 1.00 4.69 C ATOM 0 H LEU A 49 -6.041 -4.123 -3.242 1.00 4.08 H new ATOM 0 HA LEU A 49 -7.100 -3.403 -0.545 1.00 4.35 H new ATOM 0 HB2 LEU A 49 -5.273 -5.599 -1.250 1.00 4.67 H new ATOM 0 HB3 LEU A 49 -4.486 -4.451 -0.185 1.00 4.67 H new ATOM 0 HG LEU A 49 -6.764 -4.589 1.185 1.00 4.92 H new ATOM 0 HD11 LEU A 49 -7.780 -6.842 1.037 1.00 5.51 H new ATOM 0 HD12 LEU A 49 -7.935 -5.969 -0.506 1.00 5.51 H new ATOM 0 HD13 LEU A 49 -6.703 -7.239 -0.323 1.00 5.51 H new ATOM 0 HD21 LEU A 49 -5.785 -6.471 2.488 1.00 4.69 H new ATOM 0 HD22 LEU A 49 -4.716 -6.859 1.119 1.00 4.69 H new ATOM 0 HD23 LEU A 49 -4.524 -5.319 1.989 1.00 4.69 H new ATOM 759 N CYS A 50 -5.630 -1.374 -0.718 1.00 3.99 N ATOM 760 CA CYS A 50 -4.728 -0.198 -0.802 1.00 3.63 C ATOM 761 C CYS A 50 -3.643 -0.384 0.246 1.00 3.49 C ATOM 762 O CYS A 50 -3.906 -0.838 1.342 1.00 4.14 O ATOM 763 CB CYS A 50 -5.487 1.085 -0.527 1.00 3.72 C ATOM 764 SG CYS A 50 -7.118 1.035 -1.325 1.00 4.64 S ATOM 0 H CYS A 50 -6.479 -1.233 -0.170 1.00 3.99 H new ATOM 0 HA CYS A 50 -4.302 -0.124 -1.803 1.00 3.63 H new ATOM 0 HB2 CYS A 50 -5.604 1.223 0.548 1.00 3.72 H new ATOM 0 HB3 CYS A 50 -4.919 1.938 -0.898 1.00 3.72 H new ATOM 769 N LEU A 51 -2.426 -0.077 -0.088 1.00 2.91 N ATOM 770 CA LEU A 51 -1.320 -0.278 0.875 1.00 2.96 C ATOM 771 C LEU A 51 -0.944 1.029 1.561 1.00 3.35 C ATOM 772 O LEU A 51 -1.150 2.117 1.042 1.00 3.56 O ATOM 773 CB LEU A 51 -0.104 -0.844 0.153 1.00 2.71 C ATOM 774 CG LEU A 51 -0.471 -2.124 -0.622 1.00 2.56 C ATOM 775 CD1 LEU A 51 0.780 -2.981 -0.781 1.00 2.98 C ATOM 776 CD2 LEU A 51 -1.524 -2.939 0.141 1.00 2.61 C ATOM 0 H LEU A 51 -2.150 0.307 -0.992 1.00 2.91 H new ATOM 0 HA LEU A 51 -1.657 -0.981 1.637 1.00 2.96 H new ATOM 0 HB2 LEU A 51 0.294 -0.099 -0.536 1.00 2.71 H new ATOM 0 HB3 LEU A 51 0.683 -1.064 0.875 1.00 2.71 H new ATOM 0 HG LEU A 51 -0.875 -1.840 -1.594 1.00 2.56 H new ATOM 0 HD11 LEU A 51 0.531 -3.890 -1.329 1.00 2.98 H new ATOM 0 HD12 LEU A 51 1.537 -2.422 -1.331 1.00 2.98 H new ATOM 0 HD13 LEU A 51 1.168 -3.245 0.203 1.00 2.98 H new ATOM 0 HD21 LEU A 51 -1.768 -3.838 -0.425 1.00 2.61 H new ATOM 0 HD22 LEU A 51 -1.129 -3.220 1.117 1.00 2.61 H new ATOM 0 HD23 LEU A 51 -2.424 -2.338 0.273 1.00 2.61 H new ATOM 788 N ASP A 52 -0.385 0.898 2.733 1.00 3.84 N ATOM 789 CA ASP A 52 0.038 2.075 3.535 1.00 4.35 C ATOM 790 C ASP A 52 1.562 2.244 3.419 1.00 4.47 C ATOM 791 O ASP A 52 2.310 1.368 3.823 1.00 4.73 O ATOM 792 CB ASP A 52 -0.353 1.824 5.001 1.00 4.93 C ATOM 793 CG ASP A 52 -0.299 3.125 5.817 1.00 5.39 C ATOM 794 OD1 ASP A 52 -0.517 4.184 5.247 1.00 5.96 O ATOM 795 OD2 ASP A 52 -0.056 3.035 7.008 1.00 5.40 O ATOM 0 H ASP A 52 -0.200 -0.001 3.177 1.00 3.84 H new ATOM 0 HA ASP A 52 -0.447 2.982 3.173 1.00 4.35 H new ATOM 0 HB2 ASP A 52 -1.358 1.404 5.046 1.00 4.93 H new ATOM 0 HB3 ASP A 52 0.320 1.088 5.440 1.00 4.93 H new ATOM 800 N PRO A 53 1.983 3.367 2.874 1.00 4.54 N ATOM 801 CA PRO A 53 3.419 3.666 2.688 1.00 4.96 C ATOM 802 C PRO A 53 4.124 3.910 4.032 1.00 5.21 C ATOM 803 O PRO A 53 5.336 4.020 4.083 1.00 5.67 O ATOM 804 CB PRO A 53 3.419 4.917 1.800 1.00 5.26 C ATOM 805 CG PRO A 53 2.032 5.572 1.973 1.00 5.04 C ATOM 806 CD PRO A 53 1.079 4.449 2.420 1.00 4.55 C ATOM 0 HA PRO A 53 3.968 2.839 2.237 1.00 4.96 H new ATOM 0 HB2 PRO A 53 4.213 5.603 2.095 1.00 5.26 H new ATOM 0 HB3 PRO A 53 3.597 4.654 0.757 1.00 5.26 H new ATOM 0 HG2 PRO A 53 2.068 6.370 2.715 1.00 5.04 H new ATOM 0 HG3 PRO A 53 1.694 6.020 1.039 1.00 5.04 H new ATOM 0 HD2 PRO A 53 0.420 4.781 3.223 1.00 4.55 H new ATOM 0 HD3 PRO A 53 0.441 4.118 1.601 1.00 4.55 H new ATOM 814 N LYS A 54 3.386 3.971 5.123 1.00 5.18 N ATOM 815 CA LYS A 54 4.020 4.177 6.452 1.00 5.61 C ATOM 816 C LYS A 54 4.955 2.998 6.756 1.00 5.02 C ATOM 817 O LYS A 54 5.967 3.159 7.413 1.00 5.42 O ATOM 818 CB LYS A 54 2.941 4.262 7.535 1.00 6.23 C ATOM 819 CG LYS A 54 2.542 5.724 7.757 1.00 7.12 C ATOM 820 CD LYS A 54 1.319 5.790 8.679 1.00 7.85 C ATOM 821 CE LYS A 54 1.083 7.239 9.119 1.00 8.63 C ATOM 822 NZ LYS A 54 -0.071 7.295 10.065 1.00 9.56 N ATOM 0 H LYS A 54 2.370 3.886 5.139 1.00 5.18 H new ATOM 0 HA LYS A 54 4.590 5.106 6.439 1.00 5.61 H new ATOM 0 HB2 LYS A 54 2.069 3.679 7.239 1.00 6.23 H new ATOM 0 HB3 LYS A 54 3.312 3.832 8.465 1.00 6.23 H new ATOM 0 HG2 LYS A 54 3.373 6.275 8.198 1.00 7.12 H new ATOM 0 HG3 LYS A 54 2.316 6.199 6.802 1.00 7.12 H new ATOM 0 HD2 LYS A 54 0.439 5.409 8.160 1.00 7.85 H new ATOM 0 HD3 LYS A 54 1.474 5.155 9.551 1.00 7.85 H new ATOM 0 HE2 LYS A 54 1.979 7.634 9.599 1.00 8.63 H new ATOM 0 HE3 LYS A 54 0.884 7.866 8.250 1.00 8.63 H new ATOM 0 HZ1 LYS A 54 -0.229 8.279 10.362 1.00 9.56 H new ATOM 0 HZ2 LYS A 54 -0.925 6.934 9.593 1.00 9.56 H new ATOM 0 HZ3 LYS A 54 0.136 6.710 10.900 1.00 9.56 H new ATOM 836 N GLU A 55 4.632 1.815 6.271 1.00 4.37 N ATOM 837 CA GLU A 55 5.503 0.639 6.520 1.00 4.14 C ATOM 838 C GLU A 55 6.668 0.655 5.538 1.00 3.84 C ATOM 839 O GLU A 55 6.649 1.354 4.540 1.00 3.83 O ATOM 840 CB GLU A 55 4.710 -0.646 6.288 1.00 4.19 C ATOM 841 CG GLU A 55 3.644 -0.814 7.370 1.00 4.76 C ATOM 842 CD GLU A 55 2.288 -0.344 6.834 1.00 5.39 C ATOM 843 OE1 GLU A 55 1.776 -0.979 5.925 1.00 6.13 O ATOM 844 OE2 GLU A 55 1.784 0.646 7.341 1.00 5.43 O ATOM 0 H GLU A 55 3.799 1.625 5.714 1.00 4.37 H new ATOM 0 HA GLU A 55 5.866 0.680 7.547 1.00 4.14 H new ATOM 0 HB2 GLU A 55 4.239 -0.618 5.305 1.00 4.19 H new ATOM 0 HB3 GLU A 55 5.383 -1.503 6.295 1.00 4.19 H new ATOM 0 HG2 GLU A 55 3.583 -1.859 7.676 1.00 4.76 H new ATOM 0 HG3 GLU A 55 3.916 -0.238 8.255 1.00 4.76 H new ATOM 851 N ASN A 56 7.657 -0.148 5.795 1.00 3.90 N ATOM 852 CA ASN A 56 8.817 -0.238 4.869 1.00 3.93 C ATOM 853 C ASN A 56 8.579 -1.385 3.885 1.00 3.74 C ATOM 854 O ASN A 56 9.229 -1.474 2.864 1.00 3.89 O ATOM 855 CB ASN A 56 10.090 -0.495 5.658 1.00 4.29 C ATOM 856 CG ASN A 56 11.044 0.692 5.492 1.00 4.70 C ATOM 857 OD1 ASN A 56 11.965 0.639 4.701 1.00 4.90 O ATOM 858 ND2 ASN A 56 10.858 1.770 6.207 1.00 5.15 N ATOM 0 H ASN A 56 7.713 -0.752 6.615 1.00 3.90 H new ATOM 0 HA ASN A 56 8.924 0.700 4.324 1.00 3.93 H new ATOM 0 HB2 ASN A 56 9.854 -0.640 6.712 1.00 4.29 H new ATOM 0 HB3 ASN A 56 10.568 -1.410 5.309 1.00 4.29 H new ATOM 0 HD21 ASN A 56 11.486 2.567 6.101 1.00 5.15 H new ATOM 0 HD22 ASN A 56 10.085 1.815 6.871 1.00 5.15 H new ATOM 865 N TRP A 57 7.644 -2.262 4.185 1.00 3.55 N ATOM 866 CA TRP A 57 7.353 -3.394 3.280 1.00 3.47 C ATOM 867 C TRP A 57 6.457 -2.920 2.141 1.00 3.28 C ATOM 868 O TRP A 57 6.622 -3.328 1.016 1.00 3.48 O ATOM 869 CB TRP A 57 6.693 -4.531 4.070 1.00 3.64 C ATOM 870 CG TRP A 57 5.258 -4.255 4.388 1.00 3.70 C ATOM 871 CD1 TRP A 57 4.813 -3.840 5.582 1.00 4.08 C ATOM 872 CD2 TRP A 57 4.081 -4.393 3.539 1.00 3.51 C ATOM 873 NE1 TRP A 57 3.439 -3.743 5.538 1.00 4.20 N ATOM 874 CE2 TRP A 57 2.941 -4.055 4.298 1.00 3.80 C ATOM 875 CE3 TRP A 57 3.893 -4.774 2.201 1.00 3.27 C ATOM 876 CZ2 TRP A 57 1.657 -4.094 3.758 1.00 3.76 C ATOM 877 CZ3 TRP A 57 2.603 -4.811 1.649 1.00 3.17 C ATOM 878 CH2 TRP A 57 1.487 -4.469 2.425 1.00 3.38 C ATOM 0 H TRP A 57 7.072 -2.230 5.029 1.00 3.55 H new ATOM 0 HA TRP A 57 8.280 -3.773 2.850 1.00 3.47 H new ATOM 0 HB2 TRP A 57 6.763 -5.455 3.496 1.00 3.64 H new ATOM 0 HB3 TRP A 57 7.243 -4.690 4.998 1.00 3.64 H new ATOM 0 HD1 TRP A 57 5.431 -3.618 6.439 1.00 4.08 H new ATOM 0 HE1 TRP A 57 2.861 -3.471 6.333 1.00 4.20 H new ATOM 0 HE3 TRP A 57 4.745 -5.040 1.593 1.00 3.27 H new ATOM 0 HZ2 TRP A 57 0.802 -3.836 4.365 1.00 3.76 H new ATOM 0 HZ3 TRP A 57 2.469 -5.105 0.618 1.00 3.17 H new ATOM 0 HH2 TRP A 57 0.498 -4.496 1.992 1.00 3.38 H new ATOM 889 N VAL A 58 5.522 -2.049 2.421 1.00 3.02 N ATOM 890 CA VAL A 58 4.633 -1.533 1.338 1.00 2.84 C ATOM 891 C VAL A 58 5.482 -0.731 0.342 1.00 2.99 C ATOM 892 O VAL A 58 5.336 -0.865 -0.858 1.00 3.21 O ATOM 893 CB VAL A 58 3.554 -0.628 1.950 1.00 2.78 C ATOM 894 CG1 VAL A 58 3.054 0.388 0.918 1.00 2.80 C ATOM 895 CG2 VAL A 58 2.381 -1.474 2.427 1.00 2.85 C ATOM 0 H VAL A 58 5.336 -1.674 3.351 1.00 3.02 H new ATOM 0 HA VAL A 58 4.150 -2.363 0.823 1.00 2.84 H new ATOM 0 HB VAL A 58 3.991 -0.093 2.793 1.00 2.78 H new ATOM 0 HG11 VAL A 58 2.290 1.020 1.370 1.00 2.80 H new ATOM 0 HG12 VAL A 58 3.887 1.007 0.584 1.00 2.80 H new ATOM 0 HG13 VAL A 58 2.629 -0.140 0.064 1.00 2.80 H new ATOM 0 HG21 VAL A 58 1.618 -0.827 2.860 1.00 2.85 H new ATOM 0 HG22 VAL A 58 1.958 -2.019 1.583 1.00 2.85 H new ATOM 0 HG23 VAL A 58 2.726 -2.183 3.180 1.00 2.85 H new ATOM 905 N GLN A 59 6.372 0.095 0.838 1.00 3.12 N ATOM 906 CA GLN A 59 7.239 0.905 -0.063 1.00 3.61 C ATOM 907 C GLN A 59 8.311 0.010 -0.706 1.00 3.90 C ATOM 908 O GLN A 59 8.730 0.247 -1.822 1.00 4.47 O ATOM 909 CB GLN A 59 7.885 2.037 0.736 1.00 3.82 C ATOM 910 CG GLN A 59 8.800 1.443 1.795 1.00 4.33 C ATOM 911 CD GLN A 59 9.378 2.555 2.676 1.00 4.72 C ATOM 912 OE1 GLN A 59 10.561 2.828 2.629 1.00 4.84 O ATOM 913 NE2 GLN A 59 8.592 3.211 3.488 1.00 5.29 N ATOM 0 H GLN A 59 6.533 0.241 1.835 1.00 3.12 H new ATOM 0 HA GLN A 59 6.635 1.338 -0.860 1.00 3.61 H new ATOM 0 HB2 GLN A 59 8.453 2.689 0.072 1.00 3.82 H new ATOM 0 HB3 GLN A 59 7.117 2.651 1.205 1.00 3.82 H new ATOM 0 HG2 GLN A 59 8.246 0.733 2.409 1.00 4.33 H new ATOM 0 HG3 GLN A 59 9.609 0.889 1.319 1.00 4.33 H new ATOM 0 HE21 GLN A 59 7.598 2.984 3.530 1.00 5.29 H new ATOM 0 HE22 GLN A 59 8.972 3.950 4.080 1.00 5.29 H new ATOM 922 N ARG A 60 8.730 -1.036 -0.027 1.00 3.65 N ATOM 923 CA ARG A 60 9.745 -1.958 -0.619 1.00 3.97 C ATOM 924 C ARG A 60 9.031 -2.872 -1.614 1.00 3.96 C ATOM 925 O ARG A 60 9.545 -3.172 -2.672 1.00 4.42 O ATOM 926 CB ARG A 60 10.393 -2.803 0.482 1.00 4.07 C ATOM 927 CG ARG A 60 11.609 -2.065 1.050 1.00 4.60 C ATOM 928 CD ARG A 60 11.984 -2.660 2.411 1.00 4.81 C ATOM 929 NE ARG A 60 13.152 -3.576 2.257 1.00 5.26 N ATOM 930 CZ ARG A 60 13.546 -4.310 3.265 1.00 5.84 C ATOM 931 NH1 ARG A 60 14.303 -3.788 4.197 1.00 6.35 N ATOM 932 NH2 ARG A 60 13.184 -5.565 3.342 1.00 6.25 N ATOM 0 H ARG A 60 8.411 -1.287 0.909 1.00 3.65 H new ATOM 0 HA ARG A 60 10.525 -1.384 -1.119 1.00 3.97 H new ATOM 0 HB2 ARG A 60 9.672 -3.000 1.275 1.00 4.07 H new ATOM 0 HB3 ARG A 60 10.697 -3.770 0.081 1.00 4.07 H new ATOM 0 HG2 ARG A 60 12.450 -2.147 0.362 1.00 4.60 H new ATOM 0 HG3 ARG A 60 11.386 -1.003 1.155 1.00 4.60 H new ATOM 0 HD2 ARG A 60 12.226 -1.862 3.113 1.00 4.81 H new ATOM 0 HD3 ARG A 60 11.136 -3.204 2.827 1.00 4.81 H new ATOM 0 HE ARG A 60 13.643 -3.630 1.365 1.00 5.26 H new ATOM 0 HH11 ARG A 60 14.585 -2.810 4.136 1.00 6.35 H new ATOM 0 HH12 ARG A 60 14.611 -4.360 4.984 1.00 6.35 H new ATOM 0 HH21 ARG A 60 12.594 -5.971 2.616 1.00 6.25 H new ATOM 0 HH22 ARG A 60 13.492 -6.137 4.128 1.00 6.25 H new ATOM 946 N VAL A 61 7.834 -3.300 -1.278 1.00 3.58 N ATOM 947 CA VAL A 61 7.051 -4.178 -2.195 1.00 3.55 C ATOM 948 C VAL A 61 6.783 -3.422 -3.503 1.00 3.25 C ATOM 949 O VAL A 61 6.918 -3.969 -4.579 1.00 3.52 O ATOM 950 CB VAL A 61 5.722 -4.552 -1.512 1.00 3.59 C ATOM 951 CG1 VAL A 61 4.663 -4.926 -2.554 1.00 3.56 C ATOM 952 CG2 VAL A 61 5.953 -5.739 -0.573 1.00 4.31 C ATOM 0 H VAL A 61 7.367 -3.074 -0.400 1.00 3.58 H new ATOM 0 HA VAL A 61 7.607 -5.088 -2.418 1.00 3.55 H new ATOM 0 HB VAL A 61 5.365 -3.691 -0.947 1.00 3.59 H new ATOM 0 HG11 VAL A 61 3.732 -5.187 -2.050 1.00 3.56 H new ATOM 0 HG12 VAL A 61 4.491 -4.079 -3.218 1.00 3.56 H new ATOM 0 HG13 VAL A 61 5.011 -5.779 -3.137 1.00 3.56 H new ATOM 0 HG21 VAL A 61 5.015 -6.007 -0.088 1.00 4.31 H new ATOM 0 HG22 VAL A 61 6.321 -6.590 -1.146 1.00 4.31 H new ATOM 0 HG23 VAL A 61 6.688 -5.466 0.184 1.00 4.31 H new ATOM 962 N VAL A 62 6.413 -2.167 -3.408 1.00 2.99 N ATOM 963 CA VAL A 62 6.141 -1.360 -4.637 1.00 3.22 C ATOM 964 C VAL A 62 7.442 -1.195 -5.440 1.00 3.80 C ATOM 965 O VAL A 62 7.442 -1.298 -6.653 1.00 4.15 O ATOM 966 CB VAL A 62 5.596 0.019 -4.232 1.00 3.53 C ATOM 967 CG1 VAL A 62 5.531 0.940 -5.457 1.00 4.40 C ATOM 968 CG2 VAL A 62 4.189 -0.144 -3.646 1.00 3.34 C ATOM 0 H VAL A 62 6.288 -1.666 -2.528 1.00 2.99 H new ATOM 0 HA VAL A 62 5.402 -1.870 -5.255 1.00 3.22 H new ATOM 0 HB VAL A 62 6.259 0.460 -3.488 1.00 3.53 H new ATOM 0 HG11 VAL A 62 5.144 1.914 -5.159 1.00 4.40 H new ATOM 0 HG12 VAL A 62 6.530 1.059 -5.876 1.00 4.40 H new ATOM 0 HG13 VAL A 62 4.873 0.502 -6.207 1.00 4.40 H new ATOM 0 HG21 VAL A 62 3.800 0.832 -3.358 1.00 3.34 H new ATOM 0 HG22 VAL A 62 3.533 -0.590 -4.394 1.00 3.34 H new ATOM 0 HG23 VAL A 62 4.233 -0.790 -2.769 1.00 3.34 H new ATOM 978 N GLU A 63 8.545 -0.941 -4.772 1.00 4.04 N ATOM 979 CA GLU A 63 9.841 -0.773 -5.489 1.00 4.68 C ATOM 980 C GLU A 63 10.265 -2.106 -6.118 1.00 4.70 C ATOM 981 O GLU A 63 10.693 -2.149 -7.254 1.00 5.23 O ATOM 982 CB GLU A 63 10.921 -0.303 -4.505 1.00 5.11 C ATOM 983 CG GLU A 63 11.146 1.205 -4.665 1.00 5.73 C ATOM 984 CD GLU A 63 10.165 1.971 -3.771 1.00 6.00 C ATOM 985 OE1 GLU A 63 9.020 2.120 -4.171 1.00 6.04 O ATOM 986 OE2 GLU A 63 10.574 2.396 -2.703 1.00 6.46 O ATOM 0 H GLU A 63 8.598 -0.844 -3.758 1.00 4.04 H new ATOM 0 HA GLU A 63 9.719 -0.027 -6.275 1.00 4.68 H new ATOM 0 HB2 GLU A 63 10.618 -0.529 -3.483 1.00 5.11 H new ATOM 0 HB3 GLU A 63 11.852 -0.841 -4.688 1.00 5.11 H new ATOM 0 HG2 GLU A 63 12.172 1.460 -4.398 1.00 5.73 H new ATOM 0 HG3 GLU A 63 11.006 1.495 -5.706 1.00 5.73 H new ATOM 993 N LYS A 64 10.145 -3.195 -5.390 1.00 4.35 N ATOM 994 CA LYS A 64 10.533 -4.522 -5.946 1.00 4.71 C ATOM 995 C LYS A 64 9.572 -4.917 -7.078 1.00 4.54 C ATOM 996 O LYS A 64 9.948 -5.609 -8.005 1.00 5.00 O ATOM 997 CB LYS A 64 10.479 -5.578 -4.836 1.00 4.74 C ATOM 998 CG LYS A 64 11.407 -6.745 -5.190 1.00 5.62 C ATOM 999 CD LYS A 64 12.862 -6.352 -4.909 1.00 6.24 C ATOM 1000 CE LYS A 64 13.799 -7.440 -5.441 1.00 7.07 C ATOM 1001 NZ LYS A 64 15.198 -6.923 -5.477 1.00 7.79 N ATOM 0 H LYS A 64 9.793 -3.215 -4.433 1.00 4.35 H new ATOM 0 HA LYS A 64 11.546 -4.461 -6.343 1.00 4.71 H new ATOM 0 HB2 LYS A 64 10.780 -5.137 -3.886 1.00 4.74 H new ATOM 0 HB3 LYS A 64 9.458 -5.937 -4.712 1.00 4.74 H new ATOM 0 HG2 LYS A 64 11.139 -7.625 -4.606 1.00 5.62 H new ATOM 0 HG3 LYS A 64 11.288 -7.011 -6.240 1.00 5.62 H new ATOM 0 HD2 LYS A 64 13.090 -5.398 -5.384 1.00 6.24 H new ATOM 0 HD3 LYS A 64 13.013 -6.219 -3.838 1.00 6.24 H new ATOM 0 HE2 LYS A 64 13.744 -8.324 -4.806 1.00 7.07 H new ATOM 0 HE3 LYS A 64 13.488 -7.745 -6.440 1.00 7.07 H new ATOM 0 HZ1 LYS A 64 15.833 -7.663 -5.839 1.00 7.79 H new ATOM 0 HZ2 LYS A 64 15.245 -6.092 -6.100 1.00 7.79 H new ATOM 0 HZ3 LYS A 64 15.493 -6.653 -4.517 1.00 7.79 H new ATOM 1015 N PHE A 65 8.337 -4.477 -7.008 1.00 4.02 N ATOM 1016 CA PHE A 65 7.346 -4.814 -8.068 1.00 3.99 C ATOM 1017 C PHE A 65 7.663 -4.016 -9.340 1.00 4.72 C ATOM 1018 O PHE A 65 7.651 -4.551 -10.433 1.00 5.31 O ATOM 1019 CB PHE A 65 5.950 -4.444 -7.565 1.00 3.16 C ATOM 1020 CG PHE A 65 4.901 -5.267 -8.279 1.00 3.02 C ATOM 1021 CD1 PHE A 65 4.861 -6.659 -8.114 1.00 2.97 C ATOM 1022 CD2 PHE A 65 3.966 -4.633 -9.102 1.00 3.45 C ATOM 1023 CE1 PHE A 65 3.882 -7.413 -8.775 1.00 3.10 C ATOM 1024 CE2 PHE A 65 2.989 -5.386 -9.763 1.00 3.48 C ATOM 1025 CZ PHE A 65 2.946 -6.775 -9.600 1.00 3.19 C ATOM 0 H PHE A 65 7.975 -3.894 -6.253 1.00 4.02 H new ATOM 0 HA PHE A 65 7.390 -5.879 -8.296 1.00 3.99 H new ATOM 0 HB2 PHE A 65 5.886 -4.614 -6.490 1.00 3.16 H new ATOM 0 HB3 PHE A 65 5.765 -3.383 -7.731 1.00 3.16 H new ATOM 0 HD1 PHE A 65 5.584 -7.149 -7.478 1.00 2.97 H new ATOM 0 HD2 PHE A 65 3.998 -3.561 -9.228 1.00 3.45 H new ATOM 0 HE1 PHE A 65 3.849 -8.485 -8.649 1.00 3.10 H new ATOM 0 HE2 PHE A 65 2.268 -4.895 -10.399 1.00 3.48 H new ATOM 0 HZ PHE A 65 2.191 -7.355 -10.110 1.00 3.19 H new ATOM 1035 N LEU A 66 7.947 -2.741 -9.202 1.00 4.92 N ATOM 1036 CA LEU A 66 8.267 -1.901 -10.398 1.00 5.86 C ATOM 1037 C LEU A 66 9.672 -2.247 -10.911 1.00 6.61 C ATOM 1038 O LEU A 66 9.845 -2.610 -12.058 1.00 7.33 O ATOM 1039 CB LEU A 66 8.209 -0.417 -10.012 1.00 6.18 C ATOM 1040 CG LEU A 66 7.926 0.431 -11.255 1.00 7.14 C ATOM 1041 CD1 LEU A 66 6.413 0.553 -11.458 1.00 7.61 C ATOM 1042 CD2 LEU A 66 8.528 1.827 -11.068 1.00 7.67 C ATOM 0 H LEU A 66 7.970 -2.247 -8.310 1.00 4.92 H new ATOM 0 HA LEU A 66 7.539 -2.099 -11.185 1.00 5.86 H new ATOM 0 HB2 LEU A 66 7.431 -0.256 -9.266 1.00 6.18 H new ATOM 0 HB3 LEU A 66 9.153 -0.112 -9.560 1.00 6.18 H new ATOM 0 HG LEU A 66 8.373 -0.045 -12.128 1.00 7.14 H new ATOM 0 HD11 LEU A 66 6.212 1.157 -12.343 1.00 7.61 H new ATOM 0 HD12 LEU A 66 5.982 -0.440 -11.591 1.00 7.61 H new ATOM 0 HD13 LEU A 66 5.966 1.029 -10.585 1.00 7.61 H new ATOM 0 HD21 LEU A 66 8.327 2.431 -11.953 1.00 7.67 H new ATOM 0 HD22 LEU A 66 8.081 2.302 -10.195 1.00 7.67 H new ATOM 0 HD23 LEU A 66 9.605 1.742 -10.924 1.00 7.67 H new ATOM 1054 N LYS A 67 10.672 -2.136 -10.060 1.00 6.57 N ATOM 1055 CA LYS A 67 12.081 -2.455 -10.470 1.00 7.47 C ATOM 1056 C LYS A 67 12.473 -1.628 -11.708 1.00 7.85 C ATOM 1057 O LYS A 67 12.845 -2.171 -12.734 1.00 8.14 O ATOM 1058 CB LYS A 67 12.201 -3.956 -10.777 1.00 7.84 C ATOM 1059 CG LYS A 67 12.387 -4.736 -9.472 1.00 8.78 C ATOM 1060 CD LYS A 67 13.872 -5.043 -9.258 1.00 9.42 C ATOM 1061 CE LYS A 67 14.256 -6.309 -10.033 1.00 10.12 C ATOM 1062 NZ LYS A 67 14.002 -7.513 -9.189 1.00 10.40 N ATOM 0 H LYS A 67 10.569 -1.835 -9.091 1.00 6.57 H new ATOM 0 HA LYS A 67 12.757 -2.201 -9.654 1.00 7.47 H new ATOM 0 HB2 LYS A 67 11.308 -4.304 -11.296 1.00 7.84 H new ATOM 0 HB3 LYS A 67 13.046 -4.135 -11.442 1.00 7.84 H new ATOM 0 HG2 LYS A 67 12.002 -4.156 -8.633 1.00 8.78 H new ATOM 0 HG3 LYS A 67 11.816 -5.664 -9.508 1.00 8.78 H new ATOM 0 HD2 LYS A 67 14.479 -4.202 -9.593 1.00 9.42 H new ATOM 0 HD3 LYS A 67 14.075 -5.180 -8.196 1.00 9.42 H new ATOM 0 HE2 LYS A 67 13.678 -6.371 -10.955 1.00 10.12 H new ATOM 0 HE3 LYS A 67 15.307 -6.268 -10.317 1.00 10.12 H new ATOM 0 HZ1 LYS A 67 14.264 -8.369 -9.718 1.00 10.40 H new ATOM 0 HZ2 LYS A 67 14.572 -7.455 -8.321 1.00 10.40 H new ATOM 0 HZ3 LYS A 67 12.993 -7.555 -8.939 1.00 10.40 H new ATOM 1076 N ARG A 68 12.389 -0.317 -11.610 1.00 8.12 N ATOM 1077 CA ARG A 68 12.750 0.578 -12.765 1.00 8.78 C ATOM 1078 C ARG A 68 11.811 0.320 -13.956 1.00 8.99 C ATOM 1079 O ARG A 68 10.985 -0.575 -13.928 1.00 8.81 O ATOM 1080 CB ARG A 68 14.206 0.330 -13.193 1.00 9.33 C ATOM 1081 CG ARG A 68 15.160 0.743 -12.066 1.00 9.61 C ATOM 1082 CD ARG A 68 16.609 0.602 -12.544 1.00 10.05 C ATOM 1083 NE ARG A 68 17.523 1.260 -11.565 1.00 10.53 N ATOM 1084 CZ ARG A 68 18.581 0.627 -11.124 1.00 10.90 C ATOM 1085 NH1 ARG A 68 18.461 -0.273 -10.181 1.00 11.35 N ATOM 1086 NH2 ARG A 68 19.760 0.896 -11.626 1.00 11.02 N ATOM 0 H ARG A 68 12.083 0.176 -10.771 1.00 8.12 H new ATOM 0 HA ARG A 68 12.642 1.614 -12.445 1.00 8.78 H new ATOM 0 HB2 ARG A 68 14.349 -0.723 -13.434 1.00 9.33 H new ATOM 0 HB3 ARG A 68 14.430 0.897 -14.097 1.00 9.33 H new ATOM 0 HG2 ARG A 68 14.963 1.773 -11.768 1.00 9.61 H new ATOM 0 HG3 ARG A 68 14.994 0.119 -11.188 1.00 9.61 H new ATOM 0 HD2 ARG A 68 16.868 -0.452 -12.648 1.00 10.05 H new ATOM 0 HD3 ARG A 68 16.724 1.057 -13.528 1.00 10.05 H new ATOM 0 HE ARG A 68 17.323 2.205 -11.238 1.00 10.53 H new ATOM 0 HH11 ARG A 68 17.543 -0.482 -9.789 1.00 11.35 H new ATOM 0 HH12 ARG A 68 19.286 -0.766 -9.838 1.00 11.35 H new ATOM 0 HH21 ARG A 68 19.854 1.598 -12.360 1.00 11.02 H new ATOM 0 HH22 ARG A 68 20.585 0.403 -11.283 1.00 11.02 H new ATOM 1100 N ALA A 69 11.937 1.105 -15.006 1.00 9.61 N ATOM 1101 CA ALA A 69 11.069 0.928 -16.220 1.00 10.14 C ATOM 1102 C ALA A 69 9.591 1.189 -15.869 1.00 10.89 C ATOM 1103 O ALA A 69 9.258 1.537 -14.751 1.00 11.20 O ATOM 1104 CB ALA A 69 11.226 -0.498 -16.763 1.00 10.08 C ATOM 0 H ALA A 69 12.611 1.868 -15.073 1.00 9.61 H new ATOM 0 HA ALA A 69 11.380 1.645 -16.980 1.00 10.14 H new ATOM 0 HB1 ALA A 69 10.596 -0.624 -17.643 1.00 10.08 H new ATOM 0 HB2 ALA A 69 12.267 -0.671 -17.035 1.00 10.08 H new ATOM 0 HB3 ALA A 69 10.927 -1.214 -15.997 1.00 10.08 H new ATOM 1110 N GLU A 70 8.706 1.020 -16.827 1.00 11.37 N ATOM 1111 CA GLU A 70 7.250 1.251 -16.569 1.00 12.24 C ATOM 1112 C GLU A 70 6.452 -0.015 -16.917 1.00 12.45 C ATOM 1113 O GLU A 70 6.922 -0.877 -17.638 1.00 12.32 O ATOM 1114 CB GLU A 70 6.752 2.431 -17.420 1.00 12.79 C ATOM 1115 CG GLU A 70 6.969 2.139 -18.913 1.00 12.48 C ATOM 1116 CD GLU A 70 5.626 2.188 -19.651 1.00 13.18 C ATOM 1117 OE1 GLU A 70 4.962 1.164 -19.701 1.00 13.63 O ATOM 1118 OE2 GLU A 70 5.287 3.246 -20.157 1.00 13.39 O ATOM 0 H GLU A 70 8.933 0.731 -17.779 1.00 11.37 H new ATOM 0 HA GLU A 70 7.106 1.485 -15.514 1.00 12.24 H new ATOM 0 HB2 GLU A 70 5.694 2.607 -17.227 1.00 12.79 H new ATOM 0 HB3 GLU A 70 7.283 3.341 -17.139 1.00 12.79 H new ATOM 0 HG2 GLU A 70 7.656 2.870 -19.340 1.00 12.48 H new ATOM 0 HG3 GLU A 70 7.428 1.158 -19.038 1.00 12.48 H new ATOM 1125 N ASN A 71 5.249 -0.130 -16.407 1.00 12.96 N ATOM 1126 CA ASN A 71 4.412 -1.336 -16.699 1.00 13.39 C ATOM 1127 C ASN A 71 3.595 -1.102 -17.975 1.00 13.77 C ATOM 1128 O ASN A 71 3.757 -1.801 -18.957 1.00 13.98 O ATOM 1129 CB ASN A 71 3.462 -1.599 -15.524 1.00 13.14 C ATOM 1130 CG ASN A 71 4.268 -1.797 -14.237 1.00 12.70 C ATOM 1131 OD1 ASN A 71 4.213 -0.978 -13.342 1.00 12.77 O ATOM 1132 ND2 ASN A 71 5.021 -2.856 -14.102 1.00 12.41 N ATOM 0 H ASN A 71 4.810 0.562 -15.799 1.00 12.96 H new ATOM 0 HA ASN A 71 5.063 -2.199 -16.840 1.00 13.39 H new ATOM 0 HB2 ASN A 71 2.774 -0.762 -15.407 1.00 13.14 H new ATOM 0 HB3 ASN A 71 2.857 -2.484 -15.725 1.00 13.14 H new ATOM 0 HD21 ASN A 71 5.560 -2.993 -13.247 1.00 12.41 H new ATOM 0 HD22 ASN A 71 5.070 -3.546 -14.852 1.00 12.41 H new ATOM 1139 N SER A 72 2.721 -0.124 -17.968 1.00 14.02 N ATOM 1140 CA SER A 72 1.889 0.157 -19.179 1.00 14.59 C ATOM 1141 C SER A 72 1.668 1.669 -19.315 1.00 15.09 C ATOM 1142 O SER A 72 1.945 2.191 -20.383 1.00 15.38 O ATOM 1143 CB SER A 72 0.537 -0.559 -19.054 1.00 14.66 C ATOM 1144 OG SER A 72 0.031 -0.403 -17.733 1.00 14.60 O ATOM 1145 OXT SER A 72 1.231 2.280 -18.351 1.00 15.30 O ATOM 0 H SER A 72 2.548 0.492 -17.174 1.00 14.02 H new ATOM 0 HA SER A 72 2.407 -0.209 -20.066 1.00 14.59 H new ATOM 0 HB2 SER A 72 -0.170 -0.149 -19.775 1.00 14.66 H new ATOM 0 HB3 SER A 72 0.652 -1.618 -19.287 1.00 14.66 H new ATOM 0 HG SER A 72 0.202 0.511 -17.423 1.00 14.60 H new TER 1151 SER A 72