USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 644 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 161:sc= 1.26 (180deg=0.891) USER MOD Single : A 23 SER OG : rot -120:sc= 1.25 USER MOD Single : A 26 SER OG : rot 180:sc= -0.0293 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 121:sc= -0.878 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 13:sc= 0.936 USER MOD Single : A 45 THR OG1 : rot 140:sc= -2.14! USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= -0.0144 (180deg=-0.178) USER MOD Single : A 53 SER OG : rot 122:sc= 0.177 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.354 USER MOD Single : A 61 THR OG1 : rot 153:sc= -0.875 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 61:sc= 1.3 USER MOD Single : A 83 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.0151) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 172:sc= 2.05 (180deg=1.81) USER MOD Single : A 95 MET CE :methyl -167:sc= -0.0164 (180deg=-0.235) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 16 -9.318 -2.397 1.625 1.00 2.98 N ATOM 2 CA PRO A 16 -8.142 -1.569 1.965 1.00 2.98 C ATOM 3 C PRO A 16 -8.497 -0.365 2.908 1.00 3.07 C ATOM 4 O PRO A 16 -9.439 -0.449 3.699 1.00 3.73 O ATOM 5 CB PRO A 16 -7.814 -1.036 0.586 1.00 3.37 C ATOM 6 CG PRO A 16 -9.168 -0.698 0.017 1.00 3.63 C ATOM 7 CD PRO A 16 -10.141 -1.716 0.602 1.00 3.28 C ATOM 0 HA PRO A 16 -7.358 -2.113 2.491 1.00 2.98 H new ATOM 0 HB2 PRO A 16 -7.168 -0.159 0.636 1.00 3.37 H new ATOM 0 HB3 PRO A 16 -7.296 -1.779 -0.020 1.00 3.37 H new ATOM 0 HG2 PRO A 16 -9.460 0.318 0.284 1.00 3.63 H new ATOM 0 HG3 PRO A 16 -9.157 -0.751 -1.072 1.00 3.63 H new ATOM 0 HD2 PRO A 16 -11.016 -1.236 1.040 1.00 3.28 H new ATOM 0 HD3 PRO A 16 -10.504 -2.411 -0.155 1.00 3.28 H new ATOM 15 N TYR A 17 -7.702 0.756 2.782 1.00 2.86 N ATOM 16 CA TYR A 17 -7.885 2.062 3.516 1.00 3.15 C ATOM 17 C TYR A 17 -7.107 2.149 4.828 1.00 2.43 C ATOM 18 O TYR A 17 -7.576 2.763 5.791 1.00 2.82 O ATOM 19 CB TYR A 17 -9.374 2.465 3.740 1.00 4.19 C ATOM 20 CG TYR A 17 -10.175 2.777 2.491 1.00 5.00 C ATOM 21 CD1 TYR A 17 -10.166 4.035 1.927 1.00 5.52 C ATOM 22 CD2 TYR A 17 -10.913 1.792 1.865 1.00 5.51 C ATOM 23 CE1 TYR A 17 -10.885 4.310 0.781 1.00 6.48 C ATOM 24 CE2 TYR A 17 -11.639 2.053 0.723 1.00 6.49 C ATOM 25 CZ TYR A 17 -11.661 3.379 0.230 1.00 6.96 C ATOM 26 OH TYR A 17 -12.325 3.579 -0.961 1.00 8.04 O ATOM 0 H TYR A 17 -6.899 0.775 2.153 1.00 2.86 H new ATOM 0 HA TYR A 17 -7.454 2.792 2.831 1.00 3.15 H new ATOM 0 HB2 TYR A 17 -9.872 1.656 4.274 1.00 4.19 H new ATOM 0 HB3 TYR A 17 -9.399 3.339 4.391 1.00 4.19 H new ATOM 0 HD1 TYR A 17 -9.586 4.820 2.390 1.00 5.52 H new ATOM 0 HD2 TYR A 17 -10.921 0.795 2.280 1.00 5.51 H new ATOM 0 HE1 TYR A 17 -10.817 5.288 0.328 1.00 6.48 H new ATOM 0 HE2 TYR A 17 -12.178 1.265 0.217 1.00 6.49 H new ATOM 0 HH TYR A 17 -12.837 2.775 -1.189 1.00 8.04 H new ATOM 36 N ILE A 18 -5.905 1.615 4.856 1.00 1.98 N ATOM 37 CA ILE A 18 -5.136 1.648 6.084 1.00 1.60 C ATOM 38 C ILE A 18 -4.054 2.756 6.095 1.00 1.32 C ATOM 39 O ILE A 18 -3.901 3.482 7.087 1.00 1.96 O ATOM 40 CB ILE A 18 -4.502 0.268 6.491 1.00 2.09 C ATOM 41 CG1 ILE A 18 -5.576 -0.804 6.846 1.00 2.89 C ATOM 42 CG2 ILE A 18 -3.566 0.453 7.668 1.00 2.23 C ATOM 43 CD1 ILE A 18 -6.402 -1.327 5.693 1.00 3.81 C ATOM 0 H ILE A 18 -5.447 1.163 4.065 1.00 1.98 H new ATOM 0 HA ILE A 18 -5.881 1.889 6.842 1.00 1.60 H new ATOM 0 HB ILE A 18 -3.950 -0.095 5.624 1.00 2.09 H new ATOM 0 HG12 ILE A 18 -5.074 -1.648 7.319 1.00 2.89 H new ATOM 0 HG13 ILE A 18 -6.253 -0.379 7.587 1.00 2.89 H new ATOM 0 HG21 ILE A 18 -3.132 -0.508 7.942 1.00 2.23 H new ATOM 0 HG22 ILE A 18 -2.770 1.146 7.395 1.00 2.23 H new ATOM 0 HG23 ILE A 18 -4.122 0.855 8.515 1.00 2.23 H new ATOM 0 HD11 ILE A 18 -7.114 -2.066 6.061 1.00 3.81 H new ATOM 0 HD12 ILE A 18 -6.942 -0.502 5.229 1.00 3.81 H new ATOM 0 HD13 ILE A 18 -5.746 -1.791 4.956 1.00 3.81 H new ATOM 55 N GLY A 19 -3.350 2.914 5.014 1.00 1.07 N ATOM 56 CA GLY A 19 -2.218 3.843 5.025 1.00 0.82 C ATOM 57 C GLY A 19 -1.867 4.403 3.659 1.00 0.70 C ATOM 58 O GLY A 19 -2.763 4.682 2.837 1.00 1.05 O ATOM 0 H GLY A 19 -3.517 2.436 4.129 1.00 1.07 H new ATOM 0 HA2 GLY A 19 -2.446 4.670 5.698 1.00 0.82 H new ATOM 0 HA3 GLY A 19 -1.346 3.332 5.432 1.00 0.82 H new ATOM 62 N SER A 20 -0.571 4.561 3.403 1.00 0.60 N ATOM 63 CA SER A 20 -0.117 5.063 2.115 1.00 0.70 C ATOM 64 C SER A 20 0.183 3.892 1.176 1.00 0.53 C ATOM 65 O SER A 20 1.041 3.047 1.482 1.00 0.89 O ATOM 66 CB SER A 20 1.119 5.937 2.300 1.00 1.22 C ATOM 67 OG SER A 20 0.843 7.005 3.190 1.00 1.81 O ATOM 0 H SER A 20 0.175 4.350 4.066 1.00 0.60 H new ATOM 0 HA SER A 20 -0.904 5.672 1.670 1.00 0.70 H new ATOM 0 HB2 SER A 20 1.942 5.336 2.688 1.00 1.22 H new ATOM 0 HB3 SER A 20 1.440 6.333 1.336 1.00 1.22 H new ATOM 0 HG SER A 20 1.646 7.555 3.300 1.00 1.81 H new ATOM 73 N LYS A 21 -0.515 3.845 0.037 1.00 0.67 N ATOM 74 CA LYS A 21 -0.400 2.720 -0.889 1.00 0.88 C ATOM 75 C LYS A 21 0.750 2.931 -1.866 1.00 0.70 C ATOM 76 O LYS A 21 0.657 3.779 -2.778 1.00 1.07 O ATOM 77 CB LYS A 21 -1.699 2.502 -1.721 1.00 1.67 C ATOM 78 CG LYS A 21 -3.022 2.359 -0.952 1.00 2.31 C ATOM 79 CD LYS A 21 -3.556 3.697 -0.466 1.00 3.10 C ATOM 80 CE LYS A 21 -4.885 3.542 0.240 1.00 3.78 C ATOM 81 NZ LYS A 21 -5.447 4.859 0.605 1.00 4.35 N ATOM 0 H LYS A 21 -1.164 4.573 -0.263 1.00 0.67 H new ATOM 0 HA LYS A 21 -0.220 1.841 -0.270 1.00 0.88 H new ATOM 0 HB2 LYS A 21 -1.800 3.340 -2.411 1.00 1.67 H new ATOM 0 HB3 LYS A 21 -1.564 1.606 -2.326 1.00 1.67 H new ATOM 0 HG2 LYS A 21 -3.764 1.887 -1.595 1.00 2.31 H new ATOM 0 HG3 LYS A 21 -2.873 1.698 -0.098 1.00 2.31 H new ATOM 0 HD2 LYS A 21 -2.834 4.153 0.212 1.00 3.10 H new ATOM 0 HD3 LYS A 21 -3.670 4.374 -1.313 1.00 3.10 H new ATOM 0 HE2 LYS A 21 -5.584 3.011 -0.406 1.00 3.78 H new ATOM 0 HE3 LYS A 21 -4.756 2.936 1.137 1.00 3.78 H new ATOM 0 HZ1 LYS A 21 -6.467 4.763 0.785 1.00 4.35 H new ATOM 0 HZ2 LYS A 21 -4.976 5.212 1.462 1.00 4.35 H new ATOM 0 HZ3 LYS A 21 -5.295 5.530 -0.175 1.00 4.35 H new ATOM 95 N ILE A 22 1.818 2.190 -1.695 1.00 0.48 N ATOM 96 CA ILE A 22 2.961 2.292 -2.590 1.00 0.59 C ATOM 97 C ILE A 22 3.329 0.915 -3.104 1.00 0.43 C ATOM 98 O ILE A 22 2.904 -0.106 -2.532 1.00 0.51 O ATOM 99 CB ILE A 22 4.248 2.944 -1.927 1.00 1.12 C ATOM 100 CG1 ILE A 22 4.943 2.021 -0.884 1.00 1.51 C ATOM 101 CG2 ILE A 22 3.945 4.318 -1.332 1.00 1.77 C ATOM 102 CD1 ILE A 22 4.093 1.602 0.294 1.00 2.41 C ATOM 0 H ILE A 22 1.926 1.507 -0.945 1.00 0.48 H new ATOM 0 HA ILE A 22 2.649 2.954 -3.398 1.00 0.59 H new ATOM 0 HB ILE A 22 4.961 3.076 -2.741 1.00 1.12 H new ATOM 0 HG12 ILE A 22 5.289 1.123 -1.396 1.00 1.51 H new ATOM 0 HG13 ILE A 22 5.827 2.534 -0.506 1.00 1.51 H new ATOM 0 HG21 ILE A 22 4.851 4.730 -0.888 1.00 1.77 H new ATOM 0 HG22 ILE A 22 3.590 4.985 -2.118 1.00 1.77 H new ATOM 0 HG23 ILE A 22 3.177 4.221 -0.565 1.00 1.77 H new ATOM 0 HD11 ILE A 22 4.677 0.962 0.955 1.00 2.41 H new ATOM 0 HD12 ILE A 22 3.767 2.487 0.841 1.00 2.41 H new ATOM 0 HD13 ILE A 22 3.221 1.054 -0.063 1.00 2.41 H new ATOM 114 N SER A 23 4.100 0.888 -4.150 1.00 0.44 N ATOM 115 CA SER A 23 4.571 -0.328 -4.743 1.00 0.38 C ATOM 116 C SER A 23 6.100 -0.290 -4.762 1.00 0.34 C ATOM 117 O SER A 23 6.705 0.529 -5.473 1.00 0.52 O ATOM 118 CB SER A 23 4.032 -0.432 -6.151 1.00 0.53 C ATOM 119 OG SER A 23 2.613 -0.343 -6.172 1.00 1.33 O ATOM 0 H SER A 23 4.426 1.729 -4.625 1.00 0.44 H new ATOM 0 HA SER A 23 4.233 -1.193 -4.173 1.00 0.38 H new ATOM 0 HB2 SER A 23 4.457 0.363 -6.764 1.00 0.53 H new ATOM 0 HB3 SER A 23 4.345 -1.378 -6.593 1.00 0.53 H new ATOM 0 HG SER A 23 2.240 -1.162 -6.560 1.00 1.33 H new ATOM 125 N LEU A 24 6.711 -1.137 -3.984 1.00 0.34 N ATOM 126 CA LEU A 24 8.142 -1.150 -3.831 1.00 0.37 C ATOM 127 C LEU A 24 8.746 -2.487 -4.195 1.00 0.35 C ATOM 128 O LEU A 24 8.355 -3.531 -3.666 1.00 0.50 O ATOM 129 CB LEU A 24 8.494 -0.741 -2.399 1.00 0.56 C ATOM 130 CG LEU A 24 9.949 -0.837 -1.951 1.00 0.77 C ATOM 131 CD1 LEU A 24 10.872 -0.097 -2.890 1.00 1.20 C ATOM 132 CD2 LEU A 24 10.062 -0.235 -0.584 1.00 1.45 C ATOM 0 H LEU A 24 6.228 -1.845 -3.432 1.00 0.34 H new ATOM 0 HA LEU A 24 8.573 -0.431 -4.527 1.00 0.37 H new ATOM 0 HB2 LEU A 24 8.172 0.291 -2.260 1.00 0.56 H new ATOM 0 HB3 LEU A 24 7.898 -1.354 -1.723 1.00 0.56 H new ATOM 0 HG LEU A 24 10.243 -1.887 -1.948 1.00 0.77 H new ATOM 0 HD11 LEU A 24 11.899 -0.188 -2.537 1.00 1.20 H new ATOM 0 HD12 LEU A 24 10.792 -0.524 -3.890 1.00 1.20 H new ATOM 0 HD13 LEU A 24 10.592 0.956 -2.921 1.00 1.20 H new ATOM 0 HD21 LEU A 24 11.096 -0.294 -0.245 1.00 1.45 H new ATOM 0 HD22 LEU A 24 9.750 0.809 -0.619 1.00 1.45 H new ATOM 0 HD23 LEU A 24 9.422 -0.782 0.108 1.00 1.45 H new ATOM 144 N ILE A 25 9.700 -2.456 -5.098 1.00 0.29 N ATOM 145 CA ILE A 25 10.360 -3.652 -5.524 1.00 0.28 C ATOM 146 C ILE A 25 11.598 -3.893 -4.686 1.00 0.25 C ATOM 147 O ILE A 25 12.537 -3.082 -4.685 1.00 0.29 O ATOM 148 CB ILE A 25 10.760 -3.643 -7.026 1.00 0.32 C ATOM 149 CG1 ILE A 25 9.531 -3.395 -7.907 1.00 0.39 C ATOM 150 CG2 ILE A 25 11.410 -4.985 -7.402 1.00 0.34 C ATOM 151 CD1 ILE A 25 9.824 -3.378 -9.396 1.00 0.72 C ATOM 0 H ILE A 25 10.032 -1.604 -5.550 1.00 0.29 H new ATOM 0 HA ILE A 25 9.637 -4.456 -5.388 1.00 0.28 H new ATOM 0 HB ILE A 25 11.476 -2.838 -7.191 1.00 0.32 H new ATOM 0 HG12 ILE A 25 8.790 -4.168 -7.703 1.00 0.39 H new ATOM 0 HG13 ILE A 25 9.083 -2.442 -7.626 1.00 0.39 H new ATOM 0 HG21 ILE A 25 11.688 -4.972 -8.456 1.00 0.34 H new ATOM 0 HG22 ILE A 25 12.301 -5.141 -6.794 1.00 0.34 H new ATOM 0 HG23 ILE A 25 10.702 -5.795 -7.223 1.00 0.34 H new ATOM 0 HD11 ILE A 25 8.901 -3.197 -9.946 1.00 0.72 H new ATOM 0 HD12 ILE A 25 10.540 -2.586 -9.617 1.00 0.72 H new ATOM 0 HD13 ILE A 25 10.242 -4.339 -9.696 1.00 0.72 H new ATOM 163 N SER A 26 11.580 -4.982 -3.985 1.00 0.27 N ATOM 164 CA SER A 26 12.698 -5.429 -3.206 1.00 0.31 C ATOM 165 C SER A 26 13.744 -6.027 -4.139 1.00 0.29 C ATOM 166 O SER A 26 13.437 -6.392 -5.290 1.00 0.28 O ATOM 167 CB SER A 26 12.227 -6.497 -2.207 1.00 0.45 C ATOM 168 OG SER A 26 13.300 -7.048 -1.442 1.00 1.34 O ATOM 0 H SER A 26 10.771 -5.601 -3.935 1.00 0.27 H new ATOM 0 HA SER A 26 13.130 -4.590 -2.660 1.00 0.31 H new ATOM 0 HB2 SER A 26 11.493 -6.058 -1.532 1.00 0.45 H new ATOM 0 HB3 SER A 26 11.723 -7.298 -2.748 1.00 0.45 H new ATOM 0 HG SER A 26 12.948 -7.720 -0.822 1.00 1.34 H new ATOM 174 N LYS A 27 14.957 -6.151 -3.631 1.00 0.35 N ATOM 175 CA LYS A 27 16.104 -6.729 -4.327 1.00 0.41 C ATOM 176 C LYS A 27 15.857 -8.147 -4.859 1.00 0.45 C ATOM 177 O LYS A 27 16.658 -8.673 -5.607 1.00 0.60 O ATOM 178 CB LYS A 27 17.379 -6.696 -3.446 1.00 0.53 C ATOM 179 CG LYS A 27 17.207 -7.161 -1.970 1.00 0.83 C ATOM 180 CD LYS A 27 16.689 -8.588 -1.809 1.00 0.74 C ATOM 181 CE LYS A 27 16.520 -8.937 -0.326 1.00 1.33 C ATOM 182 NZ LYS A 27 15.992 -10.309 -0.112 1.00 2.12 N ATOM 0 H LYS A 27 15.184 -5.841 -2.686 1.00 0.35 H new ATOM 0 HA LYS A 27 16.259 -6.095 -5.200 1.00 0.41 H new ATOM 0 HB2 LYS A 27 18.137 -7.323 -3.916 1.00 0.53 H new ATOM 0 HB3 LYS A 27 17.766 -5.677 -3.441 1.00 0.53 H new ATOM 0 HG2 LYS A 27 18.168 -7.078 -1.462 1.00 0.83 H new ATOM 0 HG3 LYS A 27 16.521 -6.480 -1.466 1.00 0.83 H new ATOM 0 HD2 LYS A 27 15.734 -8.694 -2.324 1.00 0.74 H new ATOM 0 HD3 LYS A 27 17.383 -9.287 -2.276 1.00 0.74 H new ATOM 0 HE2 LYS A 27 17.482 -8.841 0.177 1.00 1.33 H new ATOM 0 HE3 LYS A 27 15.845 -8.217 0.137 1.00 1.33 H new ATOM 0 HZ1 LYS A 27 15.898 -10.490 0.908 1.00 2.12 H new ATOM 0 HZ2 LYS A 27 15.061 -10.397 -0.566 1.00 2.12 H new ATOM 0 HZ3 LYS A 27 16.647 -11.002 -0.528 1.00 2.12 H new ATOM 196 N ALA A 28 14.760 -8.739 -4.447 1.00 0.44 N ATOM 197 CA ALA A 28 14.375 -10.060 -4.874 1.00 0.52 C ATOM 198 C ALA A 28 13.661 -9.998 -6.222 1.00 0.41 C ATOM 199 O ALA A 28 13.253 -11.034 -6.760 1.00 0.48 O ATOM 200 CB ALA A 28 13.470 -10.684 -3.828 1.00 0.70 C ATOM 0 H ALA A 28 14.102 -8.309 -3.797 1.00 0.44 H new ATOM 0 HA ALA A 28 15.269 -10.673 -4.989 1.00 0.52 H new ATOM 0 HB1 ALA A 28 13.178 -11.684 -4.149 1.00 0.70 H new ATOM 0 HB2 ALA A 28 14.002 -10.749 -2.879 1.00 0.70 H new ATOM 0 HB3 ALA A 28 12.579 -10.068 -3.703 1.00 0.70 H new ATOM 206 N GLU A 29 13.523 -8.754 -6.750 1.00 0.34 N ATOM 207 CA GLU A 29 12.855 -8.460 -8.026 1.00 0.38 C ATOM 208 C GLU A 29 11.330 -8.654 -7.814 1.00 0.40 C ATOM 209 O GLU A 29 10.566 -8.970 -8.722 1.00 0.55 O ATOM 210 CB GLU A 29 13.439 -9.377 -9.143 1.00 0.58 C ATOM 211 CG GLU A 29 13.005 -9.071 -10.564 1.00 1.38 C ATOM 212 CD GLU A 29 13.446 -7.698 -11.024 1.00 1.79 C ATOM 213 OE1 GLU A 29 14.661 -7.463 -11.125 1.00 2.01 O ATOM 214 OE2 GLU A 29 12.579 -6.832 -11.236 1.00 2.59 O ATOM 0 H GLU A 29 13.882 -7.920 -6.286 1.00 0.34 H new ATOM 0 HA GLU A 29 13.028 -7.434 -8.350 1.00 0.38 H new ATOM 0 HB2 GLU A 29 14.527 -9.319 -9.098 1.00 0.58 H new ATOM 0 HB3 GLU A 29 13.165 -10.407 -8.917 1.00 0.58 H new ATOM 0 HG2 GLU A 29 13.416 -9.825 -11.236 1.00 1.38 H new ATOM 0 HG3 GLU A 29 11.919 -9.142 -10.632 1.00 1.38 H new ATOM 221 N ILE A 30 10.906 -8.392 -6.587 1.00 0.39 N ATOM 222 CA ILE A 30 9.529 -8.591 -6.183 1.00 0.52 C ATOM 223 C ILE A 30 8.877 -7.261 -5.820 1.00 0.55 C ATOM 224 O ILE A 30 9.427 -6.507 -5.015 1.00 0.59 O ATOM 225 CB ILE A 30 9.448 -9.539 -4.953 1.00 0.63 C ATOM 226 CG1 ILE A 30 10.076 -10.910 -5.264 1.00 0.70 C ATOM 227 CG2 ILE A 30 8.008 -9.695 -4.483 1.00 0.80 C ATOM 228 CD1 ILE A 30 9.408 -11.660 -6.395 1.00 1.17 C ATOM 0 H ILE A 30 11.509 -8.036 -5.846 1.00 0.39 H new ATOM 0 HA ILE A 30 9.001 -9.039 -7.024 1.00 0.52 H new ATOM 0 HB ILE A 30 10.022 -9.086 -4.144 1.00 0.63 H new ATOM 0 HG12 ILE A 30 11.128 -10.767 -5.510 1.00 0.70 H new ATOM 0 HG13 ILE A 30 10.040 -11.525 -4.365 1.00 0.70 H new ATOM 0 HG21 ILE A 30 7.977 -10.362 -3.622 1.00 0.80 H new ATOM 0 HG22 ILE A 30 7.610 -8.720 -4.201 1.00 0.80 H new ATOM 0 HG23 ILE A 30 7.406 -10.114 -5.289 1.00 0.80 H new ATOM 0 HD11 ILE A 30 9.913 -12.614 -6.547 1.00 1.17 H new ATOM 0 HD12 ILE A 30 8.362 -11.839 -6.145 1.00 1.17 H new ATOM 0 HD13 ILE A 30 9.467 -11.069 -7.309 1.00 1.17 H new ATOM 240 N ARG A 31 7.708 -6.985 -6.382 1.00 0.64 N ATOM 241 CA ARG A 31 7.026 -5.728 -6.130 1.00 0.75 C ATOM 242 C ARG A 31 6.036 -5.897 -4.975 1.00 0.55 C ATOM 243 O ARG A 31 4.980 -6.500 -5.134 1.00 0.76 O ATOM 244 CB ARG A 31 6.286 -5.257 -7.399 1.00 1.35 C ATOM 245 CG ARG A 31 5.871 -3.783 -7.379 1.00 2.13 C ATOM 246 CD ARG A 31 5.129 -3.382 -8.671 1.00 2.61 C ATOM 247 NE ARG A 31 3.732 -3.831 -8.696 1.00 3.25 N ATOM 248 CZ ARG A 31 3.108 -4.481 -9.679 1.00 3.86 C ATOM 249 NH1 ARG A 31 3.773 -4.870 -10.778 1.00 3.95 N ATOM 250 NH2 ARG A 31 1.808 -4.739 -9.551 1.00 4.71 N ATOM 0 H ARG A 31 7.215 -7.615 -7.014 1.00 0.64 H new ATOM 0 HA ARG A 31 7.765 -4.974 -5.858 1.00 0.75 H new ATOM 0 HB2 ARG A 31 6.927 -5.430 -8.264 1.00 1.35 H new ATOM 0 HB3 ARG A 31 5.395 -5.871 -7.534 1.00 1.35 H new ATOM 0 HG2 ARG A 31 5.229 -3.597 -6.518 1.00 2.13 H new ATOM 0 HG3 ARG A 31 6.755 -3.157 -7.258 1.00 2.13 H new ATOM 0 HD2 ARG A 31 5.158 -2.298 -8.778 1.00 2.61 H new ATOM 0 HD3 ARG A 31 5.654 -3.801 -9.529 1.00 2.61 H new ATOM 0 HE ARG A 31 3.175 -3.622 -7.867 1.00 3.25 H new ATOM 0 HH11 ARG A 31 4.769 -4.669 -10.869 1.00 3.95 H new ATOM 0 HH12 ARG A 31 3.283 -5.366 -11.522 1.00 3.95 H new ATOM 0 HH21 ARG A 31 1.309 -4.441 -8.713 1.00 4.71 H new ATOM 0 HH22 ARG A 31 1.311 -5.235 -10.291 1.00 4.71 H new ATOM 264 N TYR A 32 6.405 -5.411 -3.821 1.00 0.47 N ATOM 265 CA TYR A 32 5.542 -5.468 -2.654 1.00 0.59 C ATOM 266 C TYR A 32 4.681 -4.238 -2.632 1.00 0.56 C ATOM 267 O TYR A 32 5.193 -3.115 -2.694 1.00 0.69 O ATOM 268 CB TYR A 32 6.350 -5.541 -1.355 1.00 0.84 C ATOM 269 CG TYR A 32 7.148 -6.815 -1.158 1.00 1.16 C ATOM 270 CD1 TYR A 32 8.419 -6.950 -1.700 1.00 1.32 C ATOM 271 CD2 TYR A 32 6.620 -7.890 -0.456 1.00 1.70 C ATOM 272 CE1 TYR A 32 9.142 -8.123 -1.540 1.00 1.86 C ATOM 273 CE2 TYR A 32 7.334 -9.058 -0.291 1.00 2.32 C ATOM 274 CZ TYR A 32 8.640 -9.130 -0.755 1.00 2.34 C ATOM 275 OH TYR A 32 9.290 -10.353 -0.666 1.00 3.01 O ATOM 0 H TYR A 32 7.307 -4.964 -3.655 1.00 0.47 H new ATOM 0 HA TYR A 32 4.932 -6.369 -2.720 1.00 0.59 H new ATOM 0 HB2 TYR A 32 7.036 -4.694 -1.325 1.00 0.84 H new ATOM 0 HB3 TYR A 32 5.666 -5.427 -0.514 1.00 0.84 H new ATOM 0 HD1 TYR A 32 8.851 -6.130 -2.254 1.00 1.32 H new ATOM 0 HD2 TYR A 32 5.630 -7.810 -0.031 1.00 1.70 H new ATOM 0 HE1 TYR A 32 10.096 -8.243 -2.031 1.00 1.86 H new ATOM 0 HE2 TYR A 32 6.881 -9.909 0.195 1.00 2.32 H new ATOM 0 HH TYR A 32 8.792 -10.945 -0.064 1.00 3.01 H new ATOM 285 N GLU A 33 3.397 -4.436 -2.563 1.00 0.53 N ATOM 286 CA GLU A 33 2.475 -3.339 -2.585 1.00 0.52 C ATOM 287 C GLU A 33 1.575 -3.459 -1.371 1.00 0.42 C ATOM 288 O GLU A 33 0.977 -4.523 -1.125 1.00 0.51 O ATOM 289 CB GLU A 33 1.644 -3.401 -3.861 1.00 0.74 C ATOM 290 CG GLU A 33 2.467 -3.607 -5.120 1.00 1.40 C ATOM 291 CD GLU A 33 1.649 -3.615 -6.377 1.00 1.81 C ATOM 292 OE1 GLU A 33 0.885 -4.557 -6.570 1.00 2.45 O ATOM 293 OE2 GLU A 33 1.708 -2.639 -7.152 1.00 2.23 O ATOM 0 H GLU A 33 2.962 -5.356 -2.490 1.00 0.53 H new ATOM 0 HA GLU A 33 3.007 -2.388 -2.562 1.00 0.52 H new ATOM 0 HB2 GLU A 33 0.922 -4.213 -3.774 1.00 0.74 H new ATOM 0 HB3 GLU A 33 1.075 -2.477 -3.958 1.00 0.74 H new ATOM 0 HG2 GLU A 33 3.215 -2.817 -5.188 1.00 1.40 H new ATOM 0 HG3 GLU A 33 3.006 -4.551 -5.041 1.00 1.40 H new ATOM 300 N GLY A 34 1.493 -2.415 -0.618 1.00 0.40 N ATOM 301 CA GLY A 34 0.719 -2.427 0.596 1.00 0.43 C ATOM 302 C GLY A 34 0.869 -1.138 1.299 1.00 0.36 C ATOM 303 O GLY A 34 1.198 -0.145 0.634 1.00 0.45 O ATOM 0 H GLY A 34 1.955 -1.528 -0.817 1.00 0.40 H new ATOM 0 HA2 GLY A 34 -0.331 -2.606 0.366 1.00 0.43 H new ATOM 0 HA3 GLY A 34 1.048 -3.243 1.240 1.00 0.43 H new ATOM 307 N ILE A 35 0.673 -1.068 2.628 1.00 0.35 N ATOM 308 CA ILE A 35 0.769 0.230 3.180 1.00 0.39 C ATOM 309 C ILE A 35 2.034 0.573 3.924 1.00 0.40 C ATOM 310 O ILE A 35 2.591 -0.241 4.674 1.00 0.61 O ATOM 311 CB ILE A 35 -0.475 0.813 3.864 1.00 0.49 C ATOM 312 CG1 ILE A 35 -1.027 -0.021 5.030 1.00 0.69 C ATOM 313 CG2 ILE A 35 -1.533 1.094 2.836 1.00 0.79 C ATOM 314 CD1 ILE A 35 -1.758 -1.276 4.635 1.00 0.93 C ATOM 0 H ILE A 35 0.467 -1.838 3.265 1.00 0.35 H new ATOM 0 HA ILE A 35 0.837 0.766 2.233 1.00 0.39 H new ATOM 0 HB ILE A 35 -0.155 1.743 4.333 1.00 0.49 H new ATOM 0 HG12 ILE A 35 -0.199 -0.294 5.684 1.00 0.69 H new ATOM 0 HG13 ILE A 35 -1.702 0.604 5.614 1.00 0.69 H new ATOM 0 HG21 ILE A 35 -2.415 1.508 3.325 1.00 0.79 H new ATOM 0 HG22 ILE A 35 -1.152 1.810 2.108 1.00 0.79 H new ATOM 0 HG23 ILE A 35 -1.801 0.168 2.327 1.00 0.79 H new ATOM 0 HD11 ILE A 35 -2.107 -1.791 5.530 1.00 0.93 H new ATOM 0 HD12 ILE A 35 -2.612 -1.018 4.009 1.00 0.93 H new ATOM 0 HD13 ILE A 35 -1.085 -1.929 4.080 1.00 0.93 H new ATOM 326 N LEU A 36 2.476 1.797 3.694 1.00 0.33 N ATOM 327 CA LEU A 36 3.630 2.381 4.335 1.00 0.40 C ATOM 328 C LEU A 36 3.171 3.000 5.644 1.00 0.41 C ATOM 329 O LEU A 36 2.055 3.604 5.710 1.00 0.44 O ATOM 330 CB LEU A 36 4.294 3.419 3.371 1.00 0.56 C ATOM 331 CG LEU A 36 5.612 4.139 3.786 1.00 0.78 C ATOM 332 CD1 LEU A 36 5.403 5.153 4.905 1.00 1.55 C ATOM 333 CD2 LEU A 36 6.663 3.121 4.179 1.00 1.72 C ATOM 0 H LEU A 36 2.023 2.428 3.033 1.00 0.33 H new ATOM 0 HA LEU A 36 4.391 1.633 4.558 1.00 0.40 H new ATOM 0 HB2 LEU A 36 4.488 2.907 2.428 1.00 0.56 H new ATOM 0 HB3 LEU A 36 3.553 4.192 3.168 1.00 0.56 H new ATOM 0 HG LEU A 36 5.958 4.699 2.917 1.00 0.78 H new ATOM 0 HD11 LEU A 36 6.355 5.623 5.152 1.00 1.55 H new ATOM 0 HD12 LEU A 36 4.696 5.915 4.578 1.00 1.55 H new ATOM 0 HD13 LEU A 36 5.009 4.647 5.786 1.00 1.55 H new ATOM 0 HD21 LEU A 36 7.579 3.637 4.467 1.00 1.72 H new ATOM 0 HD22 LEU A 36 6.300 2.529 5.019 1.00 1.72 H new ATOM 0 HD23 LEU A 36 6.867 2.464 3.334 1.00 1.72 H new ATOM 345 N TYR A 37 4.018 2.838 6.670 1.00 0.44 N ATOM 346 CA TYR A 37 3.737 3.280 8.013 1.00 0.50 C ATOM 347 C TYR A 37 4.776 4.314 8.507 1.00 0.52 C ATOM 348 O TYR A 37 4.412 5.403 8.912 1.00 0.64 O ATOM 349 CB TYR A 37 3.687 2.052 8.939 1.00 0.59 C ATOM 350 CG TYR A 37 3.415 2.340 10.390 1.00 0.68 C ATOM 351 CD1 TYR A 37 2.149 2.732 10.815 1.00 0.77 C ATOM 352 CD2 TYR A 37 4.420 2.229 11.341 1.00 0.78 C ATOM 353 CE1 TYR A 37 1.897 3.003 12.141 1.00 0.91 C ATOM 354 CE2 TYR A 37 4.175 2.499 12.668 1.00 0.91 C ATOM 355 CZ TYR A 37 2.914 2.860 13.070 1.00 0.95 C ATOM 356 OH TYR A 37 2.668 3.151 14.390 1.00 1.11 O ATOM 0 H TYR A 37 4.928 2.387 6.572 1.00 0.44 H new ATOM 0 HA TYR A 37 2.771 3.785 8.025 1.00 0.50 H new ATOM 0 HB2 TYR A 37 2.917 1.374 8.572 1.00 0.59 H new ATOM 0 HB3 TYR A 37 4.638 1.525 8.864 1.00 0.59 H new ATOM 0 HD1 TYR A 37 1.351 2.825 10.093 1.00 0.77 H new ATOM 0 HD2 TYR A 37 5.410 1.926 11.035 1.00 0.78 H new ATOM 0 HE1 TYR A 37 0.915 3.324 12.454 1.00 0.91 H new ATOM 0 HE2 TYR A 37 4.974 2.427 13.391 1.00 0.91 H new ATOM 0 HH TYR A 37 3.481 2.999 14.915 1.00 1.11 H new ATOM 366 N THR A 38 6.057 3.960 8.460 1.00 0.49 N ATOM 367 CA THR A 38 7.133 4.844 8.939 1.00 0.56 C ATOM 368 C THR A 38 8.328 4.901 7.958 1.00 0.56 C ATOM 369 O THR A 38 8.292 4.252 6.908 1.00 0.52 O ATOM 370 CB THR A 38 7.576 4.489 10.390 1.00 0.66 C ATOM 371 OG1 THR A 38 7.582 3.076 10.572 1.00 0.82 O ATOM 372 CG2 THR A 38 6.684 5.147 11.430 1.00 0.94 C ATOM 0 H THR A 38 6.383 3.065 8.095 1.00 0.49 H new ATOM 0 HA THR A 38 6.718 5.851 8.975 1.00 0.56 H new ATOM 0 HB THR A 38 8.586 4.875 10.529 1.00 0.66 H new ATOM 0 HG1 THR A 38 8.482 2.783 10.825 1.00 0.82 H new ATOM 0 HG21 THR A 38 7.027 4.874 12.428 1.00 0.94 H new ATOM 0 HG22 THR A 38 6.728 6.230 11.315 1.00 0.94 H new ATOM 0 HG23 THR A 38 5.657 4.809 11.294 1.00 0.94 H new ATOM 380 N ILE A 39 9.374 5.665 8.303 1.00 0.72 N ATOM 381 CA ILE A 39 10.514 5.904 7.388 1.00 0.79 C ATOM 382 C ILE A 39 11.874 5.746 8.105 1.00 1.01 C ATOM 383 O ILE A 39 12.086 6.296 9.186 1.00 1.31 O ATOM 384 CB ILE A 39 10.400 7.348 6.780 1.00 1.02 C ATOM 385 CG1 ILE A 39 9.130 7.481 5.911 1.00 1.15 C ATOM 386 CG2 ILE A 39 11.648 7.754 5.981 1.00 1.13 C ATOM 387 CD1 ILE A 39 9.125 6.615 4.665 1.00 1.45 C ATOM 0 H ILE A 39 9.460 6.130 9.207 1.00 0.72 H new ATOM 0 HA ILE A 39 10.471 5.156 6.596 1.00 0.79 H new ATOM 0 HB ILE A 39 10.324 8.036 7.622 1.00 1.02 H new ATOM 0 HG12 ILE A 39 8.261 7.226 6.518 1.00 1.15 H new ATOM 0 HG13 ILE A 39 9.016 8.523 5.614 1.00 1.15 H new ATOM 0 HG21 ILE A 39 11.514 8.760 5.584 1.00 1.13 H new ATOM 0 HG22 ILE A 39 12.520 7.735 6.634 1.00 1.13 H new ATOM 0 HG23 ILE A 39 11.796 7.056 5.157 1.00 1.13 H new ATOM 0 HD11 ILE A 39 8.197 6.773 4.116 1.00 1.45 H new ATOM 0 HD12 ILE A 39 9.971 6.883 4.032 1.00 1.45 H new ATOM 0 HD13 ILE A 39 9.204 5.566 4.951 1.00 1.45 H new ATOM 399 N ASP A 40 12.765 4.996 7.479 1.00 0.96 N ATOM 400 CA ASP A 40 14.134 4.764 7.953 1.00 1.24 C ATOM 401 C ASP A 40 15.064 5.759 7.294 1.00 1.25 C ATOM 402 O ASP A 40 15.729 5.441 6.305 1.00 1.13 O ATOM 403 CB ASP A 40 14.614 3.336 7.601 1.00 1.31 C ATOM 404 CG ASP A 40 13.805 2.262 8.272 1.00 2.02 C ATOM 405 OD1 ASP A 40 12.688 1.941 7.771 1.00 2.56 O ATOM 406 OD2 ASP A 40 14.269 1.738 9.288 1.00 2.48 O ATOM 0 H ASP A 40 12.558 4.516 6.603 1.00 0.96 H new ATOM 0 HA ASP A 40 14.143 4.882 9.037 1.00 1.24 H new ATOM 0 HB2 ASP A 40 14.565 3.198 6.521 1.00 1.31 H new ATOM 0 HB3 ASP A 40 15.660 3.229 7.889 1.00 1.31 H new ATOM 411 N THR A 41 15.104 6.969 7.816 1.00 1.54 N ATOM 412 CA THR A 41 15.861 8.061 7.214 1.00 1.72 C ATOM 413 C THR A 41 17.360 7.719 7.003 1.00 1.69 C ATOM 414 O THR A 41 17.978 8.160 6.020 1.00 1.85 O ATOM 415 CB THR A 41 15.725 9.346 8.068 1.00 2.15 C ATOM 416 OG1 THR A 41 14.334 9.620 8.271 1.00 2.76 O ATOM 417 CG2 THR A 41 16.386 10.544 7.379 1.00 2.54 C ATOM 0 H THR A 41 14.613 7.228 8.672 1.00 1.54 H new ATOM 0 HA THR A 41 15.432 8.227 6.226 1.00 1.72 H new ATOM 0 HB THR A 41 16.227 9.186 9.022 1.00 2.15 H new ATOM 0 HG1 THR A 41 14.236 10.431 8.812 1.00 2.76 H new ATOM 0 HG21 THR A 41 16.273 11.430 8.003 1.00 2.54 H new ATOM 0 HG22 THR A 41 17.446 10.338 7.229 1.00 2.54 H new ATOM 0 HG23 THR A 41 15.910 10.717 6.414 1.00 2.54 H new ATOM 425 N GLU A 42 17.900 6.890 7.899 1.00 1.61 N ATOM 426 CA GLU A 42 19.316 6.474 7.888 1.00 1.64 C ATOM 427 C GLU A 42 19.734 5.822 6.540 1.00 1.37 C ATOM 428 O GLU A 42 20.887 5.942 6.107 1.00 1.56 O ATOM 429 CB GLU A 42 19.592 5.551 9.093 1.00 1.77 C ATOM 430 CG GLU A 42 20.996 4.975 9.155 1.00 2.30 C ATOM 431 CD GLU A 42 21.276 4.248 10.460 1.00 2.79 C ATOM 432 OE1 GLU A 42 20.581 3.234 10.741 1.00 3.22 O ATOM 433 OE2 GLU A 42 22.149 4.672 11.214 1.00 3.21 O ATOM 0 H GLU A 42 17.365 6.480 8.665 1.00 1.61 H new ATOM 0 HA GLU A 42 19.936 7.365 7.983 1.00 1.64 H new ATOM 0 HB2 GLU A 42 19.405 6.110 10.010 1.00 1.77 H new ATOM 0 HB3 GLU A 42 18.879 4.727 9.071 1.00 1.77 H new ATOM 0 HG2 GLU A 42 21.138 4.286 8.323 1.00 2.30 H new ATOM 0 HG3 GLU A 42 21.720 5.780 9.030 1.00 2.30 H new ATOM 440 N ASN A 43 18.803 5.165 5.881 1.00 1.11 N ATOM 441 CA ASN A 43 19.078 4.523 4.590 1.00 1.14 C ATOM 442 C ASN A 43 18.086 5.019 3.553 1.00 1.21 C ATOM 443 O ASN A 43 17.917 4.406 2.499 1.00 1.44 O ATOM 444 CB ASN A 43 18.977 2.982 4.704 1.00 1.24 C ATOM 445 CG ASN A 43 19.954 2.374 5.691 1.00 1.60 C ATOM 446 OD1 ASN A 43 19.629 2.188 6.845 1.00 2.01 O ATOM 447 ND2 ASN A 43 21.153 2.064 5.243 1.00 2.26 N ATOM 0 H ASN A 43 17.844 5.055 6.210 1.00 1.11 H new ATOM 0 HA ASN A 43 20.093 4.782 4.287 1.00 1.14 H new ATOM 0 HB2 ASN A 43 17.963 2.715 5.001 1.00 1.24 H new ATOM 0 HB3 ASN A 43 19.148 2.543 3.721 1.00 1.24 H new ATOM 0 HD21 ASN A 43 21.842 1.654 5.873 1.00 2.26 H new ATOM 0 HD22 ASN A 43 21.392 2.234 4.266 1.00 2.26 H new ATOM 454 N SER A 44 17.462 6.166 3.861 1.00 1.16 N ATOM 455 CA SER A 44 16.389 6.805 3.052 1.00 1.40 C ATOM 456 C SER A 44 15.249 5.829 2.800 1.00 1.17 C ATOM 457 O SER A 44 14.547 5.904 1.795 1.00 1.36 O ATOM 458 CB SER A 44 16.955 7.434 1.729 1.00 1.82 C ATOM 459 OG SER A 44 17.669 6.505 0.931 1.00 2.28 O ATOM 0 H SER A 44 17.689 6.697 4.702 1.00 1.16 H new ATOM 0 HA SER A 44 15.978 7.635 3.627 1.00 1.40 H new ATOM 0 HB2 SER A 44 16.130 7.844 1.147 1.00 1.82 H new ATOM 0 HB3 SER A 44 17.612 8.266 1.982 1.00 1.82 H new ATOM 0 HG SER A 44 17.502 5.596 1.258 1.00 2.28 H new ATOM 465 N THR A 45 15.018 4.986 3.782 1.00 0.90 N ATOM 466 CA THR A 45 14.122 3.900 3.655 1.00 0.79 C ATOM 467 C THR A 45 12.774 3.957 4.285 1.00 0.71 C ATOM 468 O THR A 45 12.342 4.961 4.813 1.00 0.86 O ATOM 469 CB THR A 45 14.777 2.572 3.698 1.00 0.92 C ATOM 470 OG1 THR A 45 15.954 2.606 4.517 1.00 1.10 O ATOM 471 CG2 THR A 45 15.087 2.242 2.298 1.00 1.21 C ATOM 0 H THR A 45 15.463 5.052 4.697 1.00 0.90 H new ATOM 0 HA THR A 45 13.799 4.070 2.628 1.00 0.79 H new ATOM 0 HB THR A 45 14.135 1.813 4.145 1.00 0.92 H new ATOM 0 HG1 THR A 45 16.008 1.783 5.046 1.00 1.10 H new ATOM 0 HG21 THR A 45 15.575 1.268 2.253 1.00 1.21 H new ATOM 0 HG22 THR A 45 14.164 2.212 1.718 1.00 1.21 H new ATOM 0 HG23 THR A 45 15.751 3.000 1.884 1.00 1.21 H new ATOM 479 N VAL A 46 12.110 2.854 4.173 1.00 0.55 N ATOM 480 CA VAL A 46 10.722 2.739 4.380 1.00 0.53 C ATOM 481 C VAL A 46 10.341 1.589 5.290 1.00 0.46 C ATOM 482 O VAL A 46 10.720 0.425 5.055 1.00 0.56 O ATOM 483 CB VAL A 46 10.073 2.518 3.012 1.00 0.65 C ATOM 484 CG1 VAL A 46 9.909 3.842 2.289 1.00 0.88 C ATOM 485 CG2 VAL A 46 11.005 1.625 2.170 1.00 0.70 C ATOM 0 H VAL A 46 12.552 1.970 3.922 1.00 0.55 H new ATOM 0 HA VAL A 46 10.378 3.651 4.869 1.00 0.53 H new ATOM 0 HB VAL A 46 9.096 2.054 3.149 1.00 0.65 H new ATOM 0 HG11 VAL A 46 9.446 3.671 1.317 1.00 0.88 H new ATOM 0 HG12 VAL A 46 9.276 4.504 2.881 1.00 0.88 H new ATOM 0 HG13 VAL A 46 10.886 4.304 2.149 1.00 0.88 H new ATOM 0 HG21 VAL A 46 10.559 1.456 1.190 1.00 0.70 H new ATOM 0 HG22 VAL A 46 11.970 2.118 2.050 1.00 0.70 H new ATOM 0 HG23 VAL A 46 11.146 0.669 2.674 1.00 0.70 H new ATOM 495 N ALA A 47 9.574 1.903 6.296 1.00 0.46 N ATOM 496 CA ALA A 47 9.086 0.914 7.193 1.00 0.47 C ATOM 497 C ALA A 47 7.629 0.642 6.892 1.00 0.42 C ATOM 498 O ALA A 47 6.751 1.484 7.169 1.00 0.40 O ATOM 499 CB ALA A 47 9.248 1.369 8.623 1.00 0.51 C ATOM 0 H ALA A 47 9.274 2.854 6.511 1.00 0.46 H new ATOM 0 HA ALA A 47 9.661 -0.003 7.061 1.00 0.47 H new ATOM 0 HB1 ALA A 47 8.869 0.599 9.295 1.00 0.51 H new ATOM 0 HB2 ALA A 47 10.303 1.545 8.831 1.00 0.51 H new ATOM 0 HB3 ALA A 47 8.689 2.292 8.777 1.00 0.51 H new ATOM 505 N LEU A 48 7.356 -0.500 6.310 1.00 0.49 N ATOM 506 CA LEU A 48 6.017 -0.830 5.949 1.00 0.55 C ATOM 507 C LEU A 48 5.431 -1.785 6.921 1.00 0.55 C ATOM 508 O LEU A 48 6.014 -2.821 7.233 1.00 0.66 O ATOM 509 CB LEU A 48 5.891 -1.454 4.563 1.00 0.77 C ATOM 510 CG LEU A 48 6.216 -0.605 3.339 1.00 1.04 C ATOM 511 CD1 LEU A 48 7.683 -0.326 3.267 1.00 1.75 C ATOM 512 CD2 LEU A 48 5.711 -1.280 2.064 1.00 1.48 C ATOM 0 H LEU A 48 8.050 -1.211 6.080 1.00 0.49 H new ATOM 0 HA LEU A 48 5.483 0.120 5.949 1.00 0.55 H new ATOM 0 HB2 LEU A 48 6.538 -2.331 4.537 1.00 0.77 H new ATOM 0 HB3 LEU A 48 4.867 -1.810 4.454 1.00 0.77 H new ATOM 0 HG LEU A 48 5.701 0.351 3.433 1.00 1.04 H new ATOM 0 HD11 LEU A 48 7.895 0.281 2.387 1.00 1.75 H new ATOM 0 HD12 LEU A 48 7.996 0.211 4.162 1.00 1.75 H new ATOM 0 HD13 LEU A 48 8.229 -1.267 3.199 1.00 1.75 H new ATOM 0 HD21 LEU A 48 5.953 -0.658 1.202 1.00 1.48 H new ATOM 0 HD22 LEU A 48 6.189 -2.254 1.954 1.00 1.48 H new ATOM 0 HD23 LEU A 48 4.631 -1.411 2.125 1.00 1.48 H new ATOM 524 N ALA A 49 4.284 -1.450 7.367 1.00 0.54 N ATOM 525 CA ALA A 49 3.532 -2.264 8.256 1.00 0.59 C ATOM 526 C ALA A 49 2.188 -2.429 7.652 1.00 0.53 C ATOM 527 O ALA A 49 1.564 -1.427 7.301 1.00 0.69 O ATOM 528 CB ALA A 49 3.423 -1.631 9.634 1.00 0.76 C ATOM 0 H ALA A 49 3.821 -0.575 7.120 1.00 0.54 H new ATOM 0 HA ALA A 49 4.024 -3.227 8.395 1.00 0.59 H new ATOM 0 HB1 ALA A 49 2.841 -2.281 10.288 1.00 0.76 H new ATOM 0 HB2 ALA A 49 4.421 -1.495 10.052 1.00 0.76 H new ATOM 0 HB3 ALA A 49 2.929 -0.663 9.552 1.00 0.76 H new ATOM 534 N LYS A 50 1.739 -3.688 7.504 1.00 0.55 N ATOM 535 CA LYS A 50 0.481 -3.990 6.877 1.00 0.70 C ATOM 536 C LYS A 50 0.573 -4.035 5.360 1.00 0.60 C ATOM 537 O LYS A 50 -0.443 -4.052 4.679 1.00 0.74 O ATOM 538 CB LYS A 50 -0.683 -3.127 7.405 1.00 0.98 C ATOM 539 CG LYS A 50 -1.165 -3.576 8.745 1.00 1.44 C ATOM 540 CD LYS A 50 -2.201 -2.644 9.359 1.00 1.95 C ATOM 541 CE LYS A 50 -1.578 -1.334 9.855 1.00 2.92 C ATOM 542 NZ LYS A 50 -0.681 -1.547 11.023 1.00 3.63 N ATOM 0 H LYS A 50 2.252 -4.510 7.822 1.00 0.55 H new ATOM 0 HA LYS A 50 0.232 -5.008 7.178 1.00 0.70 H new ATOM 0 HB2 LYS A 50 -0.361 -2.088 7.468 1.00 0.98 H new ATOM 0 HB3 LYS A 50 -1.509 -3.163 6.695 1.00 0.98 H new ATOM 0 HG2 LYS A 50 -1.594 -4.574 8.653 1.00 1.44 H new ATOM 0 HG3 LYS A 50 -0.314 -3.656 9.421 1.00 1.44 H new ATOM 0 HD2 LYS A 50 -2.971 -2.422 8.620 1.00 1.95 H new ATOM 0 HD3 LYS A 50 -2.694 -3.148 10.191 1.00 1.95 H new ATOM 0 HE2 LYS A 50 -1.014 -0.872 9.045 1.00 2.92 H new ATOM 0 HE3 LYS A 50 -2.370 -0.637 10.129 1.00 2.92 H new ATOM 0 HZ1 LYS A 50 -0.471 -0.632 11.471 1.00 3.63 H new ATOM 0 HZ2 LYS A 50 -1.149 -2.170 11.711 1.00 3.63 H new ATOM 0 HZ3 LYS A 50 0.205 -1.988 10.704 1.00 3.63 H new ATOM 556 N VAL A 51 1.788 -4.124 4.817 1.00 0.64 N ATOM 557 CA VAL A 51 1.871 -4.251 3.378 1.00 0.54 C ATOM 558 C VAL A 51 1.681 -5.719 2.958 1.00 0.72 C ATOM 559 O VAL A 51 2.545 -6.564 3.171 1.00 1.07 O ATOM 560 CB VAL A 51 3.286 -3.739 2.880 1.00 0.78 C ATOM 561 CG1 VAL A 51 4.423 -4.329 3.711 1.00 1.52 C ATOM 562 CG2 VAL A 51 3.539 -4.081 1.413 1.00 1.44 C ATOM 0 H VAL A 51 2.674 -4.111 5.322 1.00 0.64 H new ATOM 0 HA VAL A 51 1.082 -3.649 2.927 1.00 0.54 H new ATOM 0 HB VAL A 51 3.266 -2.656 2.998 1.00 0.78 H new ATOM 0 HG11 VAL A 51 5.377 -3.955 3.340 1.00 1.52 H new ATOM 0 HG12 VAL A 51 4.300 -4.038 4.754 1.00 1.52 H new ATOM 0 HG13 VAL A 51 4.404 -5.416 3.633 1.00 1.52 H new ATOM 0 HG21 VAL A 51 4.520 -3.710 1.117 1.00 1.44 H new ATOM 0 HG22 VAL A 51 3.504 -5.162 1.280 1.00 1.44 H new ATOM 0 HG23 VAL A 51 2.773 -3.615 0.793 1.00 1.44 H new ATOM 572 N ARG A 52 0.505 -5.999 2.421 1.00 0.93 N ATOM 573 CA ARG A 52 0.177 -7.270 1.750 1.00 1.36 C ATOM 574 C ARG A 52 -1.281 -7.122 1.336 1.00 1.77 C ATOM 575 O ARG A 52 -1.947 -6.343 1.957 1.00 2.15 O ATOM 576 CB ARG A 52 0.367 -8.434 2.740 1.00 1.98 C ATOM 577 CG ARG A 52 0.580 -9.862 2.162 1.00 2.57 C ATOM 578 CD ARG A 52 -0.628 -10.449 1.442 1.00 3.14 C ATOM 579 NE ARG A 52 -0.368 -11.838 1.002 1.00 3.81 N ATOM 580 CZ ARG A 52 -0.870 -12.447 -0.098 1.00 4.54 C ATOM 581 NH1 ARG A 52 -1.653 -11.788 -0.951 1.00 4.84 N ATOM 582 NH2 ARG A 52 -0.576 -13.720 -0.340 1.00 5.32 N ATOM 0 H ARG A 52 -0.274 -5.341 2.434 1.00 0.93 H new ATOM 0 HA ARG A 52 0.813 -7.482 0.891 1.00 1.36 H new ATOM 0 HB2 ARG A 52 1.224 -8.199 3.370 1.00 1.98 H new ATOM 0 HB3 ARG A 52 -0.508 -8.465 3.390 1.00 1.98 H new ATOM 0 HG2 ARG A 52 1.421 -9.836 1.469 1.00 2.57 H new ATOM 0 HG3 ARG A 52 0.859 -10.530 2.977 1.00 2.57 H new ATOM 0 HD2 ARG A 52 -1.493 -10.431 2.105 1.00 3.14 H new ATOM 0 HD3 ARG A 52 -0.875 -9.832 0.578 1.00 3.14 H new ATOM 0 HE ARG A 52 0.254 -12.394 1.589 1.00 3.81 H new ATOM 0 HH11 ARG A 52 -1.883 -10.809 -0.780 1.00 4.84 H new ATOM 0 HH12 ARG A 52 -2.023 -12.262 -1.775 1.00 4.84 H new ATOM 0 HH21 ARG A 52 0.026 -14.235 0.302 1.00 5.32 H new ATOM 0 HH22 ARG A 52 -0.953 -14.182 -1.168 1.00 5.32 H new ATOM 596 N SER A 53 -1.751 -7.724 0.267 1.00 2.22 N ATOM 597 CA SER A 53 -3.217 -7.925 0.142 1.00 2.91 C ATOM 598 C SER A 53 -3.516 -8.836 -1.015 1.00 3.21 C ATOM 599 O SER A 53 -2.584 -9.314 -1.686 1.00 3.47 O ATOM 600 CB SER A 53 -4.041 -6.647 0.047 1.00 3.72 C ATOM 601 OG SER A 53 -5.407 -6.920 0.327 1.00 4.00 O ATOM 0 H SER A 53 -1.188 -8.076 -0.507 1.00 2.22 H new ATOM 0 HA SER A 53 -3.527 -8.386 1.080 1.00 2.91 H new ATOM 0 HB2 SER A 53 -3.659 -5.907 0.750 1.00 3.72 H new ATOM 0 HB3 SER A 53 -3.946 -6.218 -0.950 1.00 3.72 H new ATOM 0 HG SER A 53 -5.703 -6.369 1.081 1.00 4.00 H new ATOM 607 N PHE A 54 -4.790 -9.047 -1.256 1.00 3.60 N ATOM 608 CA PHE A 54 -5.286 -9.794 -2.380 1.00 4.15 C ATOM 609 C PHE A 54 -6.778 -9.570 -2.552 1.00 4.64 C ATOM 610 O PHE A 54 -7.271 -9.559 -3.667 1.00 5.36 O ATOM 611 CB PHE A 54 -4.932 -11.295 -2.344 1.00 4.85 C ATOM 612 CG PHE A 54 -5.571 -12.089 -1.250 1.00 5.25 C ATOM 613 CD1 PHE A 54 -5.142 -11.940 0.047 1.00 5.62 C ATOM 614 CD2 PHE A 54 -6.593 -12.967 -1.519 1.00 5.67 C ATOM 615 CE1 PHE A 54 -5.724 -12.655 1.064 1.00 6.37 C ATOM 616 CE2 PHE A 54 -7.189 -13.689 -0.510 1.00 6.40 C ATOM 617 CZ PHE A 54 -6.749 -13.582 0.754 1.00 6.75 C ATOM 0 H PHE A 54 -5.531 -8.690 -0.652 1.00 3.60 H new ATOM 0 HA PHE A 54 -4.768 -9.406 -3.257 1.00 4.15 H new ATOM 0 HB2 PHE A 54 -5.212 -11.738 -3.300 1.00 4.85 H new ATOM 0 HB3 PHE A 54 -3.850 -11.392 -2.253 1.00 4.85 H new ATOM 0 HD1 PHE A 54 -4.339 -11.253 0.268 1.00 5.62 H new ATOM 0 HD2 PHE A 54 -6.933 -13.092 -2.536 1.00 5.67 H new ATOM 0 HE1 PHE A 54 -5.405 -12.513 2.086 1.00 6.37 H new ATOM 0 HE2 PHE A 54 -8.016 -14.346 -0.736 1.00 6.40 H new ATOM 0 HZ PHE A 54 -7.175 -14.200 1.531 1.00 6.75 H new ATOM 627 N GLY A 55 -7.497 -9.348 -1.434 1.00 4.55 N ATOM 628 CA GLY A 55 -8.885 -9.123 -1.535 1.00 5.26 C ATOM 629 C GLY A 55 -9.684 -10.385 -1.438 1.00 5.56 C ATOM 630 O GLY A 55 -9.300 -11.401 -1.975 1.00 5.90 O ATOM 0 H GLY A 55 -7.117 -9.327 -0.488 1.00 4.55 H new ATOM 0 HA2 GLY A 55 -9.196 -8.439 -0.745 1.00 5.26 H new ATOM 0 HA3 GLY A 55 -9.101 -8.633 -2.484 1.00 5.26 H new ATOM 634 N THR A 56 -10.811 -10.280 -0.774 1.00 5.65 N ATOM 635 CA THR A 56 -11.726 -11.377 -0.530 1.00 6.13 C ATOM 636 C THR A 56 -11.094 -12.466 0.370 1.00 6.59 C ATOM 637 O THR A 56 -10.236 -13.221 -0.072 1.00 7.05 O ATOM 638 CB THR A 56 -12.193 -12.023 -1.857 1.00 6.49 C ATOM 639 OG1 THR A 56 -12.844 -11.053 -2.674 1.00 6.69 O ATOM 640 CG2 THR A 56 -13.111 -13.209 -1.623 1.00 6.70 C ATOM 0 H THR A 56 -11.130 -9.398 -0.373 1.00 5.65 H new ATOM 0 HA THR A 56 -12.586 -10.953 -0.012 1.00 6.13 H new ATOM 0 HB THR A 56 -11.305 -12.393 -2.369 1.00 6.49 H new ATOM 0 HG1 THR A 56 -13.134 -11.472 -3.511 1.00 6.69 H new ATOM 0 HG21 THR A 56 -13.413 -13.630 -2.582 1.00 6.70 H new ATOM 0 HG22 THR A 56 -12.585 -13.968 -1.043 1.00 6.70 H new ATOM 0 HG23 THR A 56 -13.995 -12.882 -1.075 1.00 6.70 H new ATOM 648 N GLU A 57 -11.513 -12.545 1.618 1.00 6.75 N ATOM 649 CA GLU A 57 -10.935 -13.554 2.488 1.00 7.40 C ATOM 650 C GLU A 57 -11.895 -14.657 2.920 1.00 8.18 C ATOM 651 O GLU A 57 -12.231 -15.540 2.137 1.00 8.38 O ATOM 652 CB GLU A 57 -10.222 -13.006 3.687 1.00 7.59 C ATOM 653 CG GLU A 57 -9.037 -12.158 3.425 1.00 7.33 C ATOM 654 CD GLU A 57 -8.308 -12.010 4.700 1.00 7.60 C ATOM 655 OE1 GLU A 57 -8.686 -11.148 5.507 1.00 7.63 O ATOM 656 OE2 GLU A 57 -7.316 -12.668 4.880 1.00 8.03 O ATOM 0 H GLU A 57 -12.224 -11.949 2.042 1.00 6.75 H new ATOM 0 HA GLU A 57 -10.190 -14.009 1.835 1.00 7.40 H new ATOM 0 HB2 GLU A 57 -10.935 -12.424 4.270 1.00 7.59 H new ATOM 0 HB3 GLU A 57 -9.910 -13.844 4.310 1.00 7.59 H new ATOM 0 HG2 GLU A 57 -8.398 -12.614 2.669 1.00 7.33 H new ATOM 0 HG3 GLU A 57 -9.340 -11.184 3.041 1.00 7.33 H new ATOM 663 N ASP A 58 -12.360 -14.568 4.171 1.00 8.77 N ATOM 664 CA ASP A 58 -13.227 -15.592 4.789 1.00 9.67 C ATOM 665 C ASP A 58 -14.551 -15.782 4.103 1.00 9.51 C ATOM 666 O ASP A 58 -15.193 -16.812 4.274 1.00 10.10 O ATOM 667 CB ASP A 58 -13.433 -15.344 6.290 1.00 10.59 C ATOM 668 CG ASP A 58 -12.208 -15.653 7.126 1.00 11.21 C ATOM 669 OD1 ASP A 58 -11.297 -14.787 7.191 1.00 11.40 O ATOM 670 OD2 ASP A 58 -12.136 -16.737 7.711 1.00 11.70 O ATOM 0 H ASP A 58 -12.149 -13.785 4.789 1.00 8.77 H new ATOM 0 HA ASP A 58 -12.679 -16.525 4.657 1.00 9.67 H new ATOM 0 HB2 ASP A 58 -13.714 -14.302 6.443 1.00 10.59 H new ATOM 0 HB3 ASP A 58 -14.266 -15.954 6.640 1.00 10.59 H new ATOM 675 N ARG A 59 -14.961 -14.813 3.324 1.00 8.84 N ATOM 676 CA ARG A 59 -16.195 -14.906 2.629 1.00 8.83 C ATOM 677 C ARG A 59 -15.925 -14.449 1.248 1.00 8.12 C ATOM 678 O ARG A 59 -15.287 -13.387 1.084 1.00 7.53 O ATOM 679 CB ARG A 59 -17.260 -13.974 3.232 1.00 8.99 C ATOM 680 CG ARG A 59 -17.477 -14.126 4.732 1.00 9.86 C ATOM 681 CD ARG A 59 -18.648 -13.280 5.206 1.00 10.46 C ATOM 682 NE ARG A 59 -19.908 -13.765 4.622 1.00 10.90 N ATOM 683 CZ ARG A 59 -20.992 -13.014 4.330 1.00 11.61 C ATOM 684 NH1 ARG A 59 -20.972 -11.674 4.498 1.00 11.96 N ATOM 685 NH2 ARG A 59 -22.087 -13.607 3.851 1.00 12.15 N ATOM 0 H ARG A 59 -14.445 -13.948 3.162 1.00 8.84 H new ATOM 0 HA ARG A 59 -16.570 -15.928 2.683 1.00 8.83 H new ATOM 0 HB2 ARG A 59 -16.977 -12.942 3.024 1.00 8.99 H new ATOM 0 HB3 ARG A 59 -18.207 -14.153 2.724 1.00 8.99 H new ATOM 0 HG2 ARG A 59 -17.661 -15.173 4.971 1.00 9.86 H new ATOM 0 HG3 ARG A 59 -16.573 -13.831 5.265 1.00 9.86 H new ATOM 0 HD2 ARG A 59 -18.709 -13.312 6.294 1.00 10.46 H new ATOM 0 HD3 ARG A 59 -18.488 -12.239 4.926 1.00 10.46 H new ATOM 0 HE ARG A 59 -19.969 -14.763 4.418 1.00 10.90 H new ATOM 0 HH11 ARG A 59 -20.131 -11.217 4.850 1.00 11.96 H new ATOM 0 HH12 ARG A 59 -21.798 -11.119 4.273 1.00 11.96 H new ATOM 0 HH21 ARG A 59 -22.099 -14.617 3.709 1.00 12.15 H new ATOM 0 HH22 ARG A 59 -22.912 -13.050 3.627 1.00 12.15 H new ATOM 699 N PRO A 60 -16.335 -15.201 0.230 1.00 8.32 N ATOM 700 CA PRO A 60 -16.171 -14.788 -1.145 1.00 7.97 C ATOM 701 C PRO A 60 -17.014 -13.556 -1.470 1.00 7.54 C ATOM 702 O PRO A 60 -18.159 -13.672 -1.909 1.00 7.87 O ATOM 703 CB PRO A 60 -16.653 -15.989 -1.978 1.00 8.71 C ATOM 704 CG PRO A 60 -16.723 -17.123 -1.019 1.00 9.32 C ATOM 705 CD PRO A 60 -16.971 -16.523 0.331 1.00 9.13 C ATOM 0 HA PRO A 60 -15.137 -14.513 -1.354 1.00 7.97 H new ATOM 0 HB2 PRO A 60 -17.626 -15.792 -2.427 1.00 8.71 H new ATOM 0 HB3 PRO A 60 -15.963 -16.205 -2.794 1.00 8.71 H new ATOM 0 HG2 PRO A 60 -17.523 -17.812 -1.290 1.00 9.32 H new ATOM 0 HG3 PRO A 60 -15.795 -17.694 -1.025 1.00 9.32 H new ATOM 0 HD2 PRO A 60 -18.036 -16.442 0.547 1.00 9.13 H new ATOM 0 HD3 PRO A 60 -16.529 -17.123 1.126 1.00 9.13 H new ATOM 713 N THR A 61 -16.496 -12.386 -1.135 1.00 7.06 N ATOM 714 CA THR A 61 -17.149 -11.158 -1.522 1.00 6.93 C ATOM 715 C THR A 61 -17.034 -10.962 -3.070 1.00 7.37 C ATOM 716 O THR A 61 -16.519 -11.833 -3.785 1.00 7.57 O ATOM 717 CB THR A 61 -16.628 -9.911 -0.729 1.00 6.40 C ATOM 718 OG1 THR A 61 -17.545 -8.821 -0.912 1.00 6.63 O ATOM 719 CG2 THR A 61 -15.242 -9.469 -1.208 1.00 6.24 C ATOM 0 H THR A 61 -15.635 -12.266 -0.602 1.00 7.06 H new ATOM 0 HA THR A 61 -18.203 -11.245 -1.258 1.00 6.93 H new ATOM 0 HB THR A 61 -16.555 -10.191 0.322 1.00 6.40 H new ATOM 0 HG1 THR A 61 -17.499 -8.221 -0.138 1.00 6.63 H new ATOM 0 HG21 THR A 61 -14.918 -8.602 -0.633 1.00 6.24 H new ATOM 0 HG22 THR A 61 -14.532 -10.284 -1.068 1.00 6.24 H new ATOM 0 HG23 THR A 61 -15.289 -9.206 -2.265 1.00 6.24 H new ATOM 727 N ASP A 62 -17.476 -9.842 -3.547 1.00 7.84 N ATOM 728 CA ASP A 62 -17.606 -9.629 -4.981 1.00 8.59 C ATOM 729 C ASP A 62 -17.366 -8.178 -5.354 1.00 8.58 C ATOM 730 O ASP A 62 -16.705 -7.878 -6.356 1.00 9.09 O ATOM 731 CB ASP A 62 -19.042 -10.029 -5.430 1.00 9.39 C ATOM 732 CG ASP A 62 -20.143 -9.202 -4.734 1.00 10.02 C ATOM 733 OD1 ASP A 62 -20.351 -9.388 -3.504 1.00 10.17 O ATOM 734 OD2 ASP A 62 -20.760 -8.343 -5.388 1.00 10.54 O ATOM 0 H ASP A 62 -17.758 -9.047 -2.973 1.00 7.84 H new ATOM 0 HA ASP A 62 -16.857 -10.243 -5.481 1.00 8.59 H new ATOM 0 HB2 ASP A 62 -19.128 -9.903 -6.509 1.00 9.39 H new ATOM 0 HB3 ASP A 62 -19.201 -11.086 -5.219 1.00 9.39 H new ATOM 739 N ARG A 63 -17.890 -7.295 -4.556 1.00 8.24 N ATOM 740 CA ARG A 63 -17.887 -5.893 -4.866 1.00 8.47 C ATOM 741 C ARG A 63 -16.690 -5.132 -4.198 1.00 7.71 C ATOM 742 O ARG A 63 -15.932 -4.456 -4.895 1.00 7.62 O ATOM 743 CB ARG A 63 -19.260 -5.317 -4.467 1.00 9.43 C ATOM 744 CG ARG A 63 -19.582 -3.926 -4.963 1.00 10.10 C ATOM 745 CD ARG A 63 -20.977 -3.543 -4.478 1.00 10.99 C ATOM 746 NE ARG A 63 -21.967 -4.599 -4.785 1.00 11.57 N ATOM 747 CZ ARG A 63 -23.219 -4.660 -4.282 1.00 12.49 C ATOM 748 NH1 ARG A 63 -23.709 -3.641 -3.574 1.00 12.92 N ATOM 749 NH2 ARG A 63 -23.974 -5.736 -4.505 1.00 13.10 N ATOM 0 H ARG A 63 -18.334 -7.527 -3.667 1.00 8.24 H new ATOM 0 HA ARG A 63 -17.733 -5.754 -5.936 1.00 8.47 H new ATOM 0 HB2 ARG A 63 -20.032 -5.995 -4.830 1.00 9.43 H new ATOM 0 HB3 ARG A 63 -19.325 -5.314 -3.379 1.00 9.43 H new ATOM 0 HG2 ARG A 63 -18.845 -3.213 -4.593 1.00 10.10 H new ATOM 0 HG3 ARG A 63 -19.539 -3.894 -6.052 1.00 10.10 H new ATOM 0 HD2 ARG A 63 -20.954 -3.366 -3.403 1.00 10.99 H new ATOM 0 HD3 ARG A 63 -21.283 -2.608 -4.948 1.00 10.99 H new ATOM 0 HE ARG A 63 -21.682 -5.339 -5.427 1.00 11.57 H new ATOM 0 HH11 ARG A 63 -23.138 -2.812 -3.411 1.00 12.92 H new ATOM 0 HH12 ARG A 63 -24.655 -3.691 -3.196 1.00 12.92 H new ATOM 0 HH21 ARG A 63 -23.606 -6.512 -5.055 1.00 13.10 H new ATOM 0 HH22 ARG A 63 -24.920 -5.783 -4.126 1.00 13.10 H new ATOM 763 N PRO A 64 -16.496 -5.206 -2.856 1.00 7.39 N ATOM 764 CA PRO A 64 -15.418 -4.504 -2.192 1.00 6.90 C ATOM 765 C PRO A 64 -14.170 -5.379 -2.044 1.00 6.03 C ATOM 766 O PRO A 64 -14.136 -6.298 -1.228 1.00 6.04 O ATOM 767 CB PRO A 64 -16.017 -4.184 -0.806 1.00 7.33 C ATOM 768 CG PRO A 64 -17.326 -4.941 -0.757 1.00 7.79 C ATOM 769 CD PRO A 64 -17.270 -5.936 -1.872 1.00 7.79 C ATOM 0 HA PRO A 64 -15.089 -3.625 -2.747 1.00 6.90 H new ATOM 0 HB2 PRO A 64 -15.349 -4.500 -0.005 1.00 7.33 H new ATOM 0 HB3 PRO A 64 -16.176 -3.113 -0.683 1.00 7.33 H new ATOM 0 HG2 PRO A 64 -17.453 -5.439 0.204 1.00 7.79 H new ATOM 0 HG3 PRO A 64 -18.172 -4.265 -0.880 1.00 7.79 H new ATOM 0 HD2 PRO A 64 -16.785 -6.865 -1.572 1.00 7.79 H new ATOM 0 HD3 PRO A 64 -18.262 -6.199 -2.240 1.00 7.79 H new ATOM 777 N ILE A 65 -13.185 -5.127 -2.864 1.00 5.53 N ATOM 778 CA ILE A 65 -11.934 -5.853 -2.796 1.00 4.81 C ATOM 779 C ILE A 65 -10.827 -4.900 -2.358 1.00 4.50 C ATOM 780 O ILE A 65 -10.926 -3.696 -2.579 1.00 4.92 O ATOM 781 CB ILE A 65 -11.490 -6.441 -4.161 1.00 4.79 C ATOM 782 CG1 ILE A 65 -12.654 -7.135 -4.916 1.00 5.45 C ATOM 783 CG2 ILE A 65 -10.375 -7.434 -3.906 1.00 4.94 C ATOM 784 CD1 ILE A 65 -13.283 -8.307 -4.190 1.00 5.96 C ATOM 0 H ILE A 65 -13.221 -4.418 -3.596 1.00 5.53 H new ATOM 0 HA ILE A 65 -12.096 -6.672 -2.095 1.00 4.81 H new ATOM 0 HB ILE A 65 -11.150 -5.623 -4.796 1.00 4.79 H new ATOM 0 HG12 ILE A 65 -13.428 -6.395 -5.118 1.00 5.45 H new ATOM 0 HG13 ILE A 65 -12.285 -7.481 -5.881 1.00 5.45 H new ATOM 0 HG21 ILE A 65 -10.045 -7.862 -4.853 1.00 4.94 H new ATOM 0 HG22 ILE A 65 -9.538 -6.926 -3.426 1.00 4.94 H new ATOM 0 HG23 ILE A 65 -10.738 -8.229 -3.255 1.00 4.94 H new ATOM 0 HD11 ILE A 65 -14.086 -8.724 -4.799 1.00 5.96 H new ATOM 0 HD12 ILE A 65 -12.528 -9.073 -4.012 1.00 5.96 H new ATOM 0 HD13 ILE A 65 -13.689 -7.969 -3.236 1.00 5.96 H new ATOM 796 N ALA A 66 -9.816 -5.428 -1.714 1.00 4.20 N ATOM 797 CA ALA A 66 -8.647 -4.673 -1.367 1.00 4.33 C ATOM 798 C ALA A 66 -7.668 -4.661 -2.537 1.00 4.07 C ATOM 799 O ALA A 66 -7.063 -5.688 -2.851 1.00 3.75 O ATOM 800 CB ALA A 66 -7.965 -5.298 -0.171 1.00 4.69 C ATOM 0 H ALA A 66 -9.785 -6.403 -1.415 1.00 4.20 H new ATOM 0 HA ALA A 66 -8.951 -3.654 -1.129 1.00 4.33 H new ATOM 0 HB1 ALA A 66 -7.078 -4.719 0.086 1.00 4.69 H new ATOM 0 HB2 ALA A 66 -8.651 -5.306 0.676 1.00 4.69 H new ATOM 0 HB3 ALA A 66 -7.673 -6.320 -0.412 1.00 4.69 H new ATOM 806 N PRO A 67 -7.497 -3.515 -3.210 1.00 4.67 N ATOM 807 CA PRO A 67 -6.512 -3.363 -4.273 1.00 4.98 C ATOM 808 C PRO A 67 -5.180 -2.995 -3.618 1.00 4.85 C ATOM 809 O PRO A 67 -4.480 -2.070 -4.054 1.00 5.44 O ATOM 810 CB PRO A 67 -7.079 -2.197 -5.092 1.00 5.97 C ATOM 811 CG PRO A 67 -7.828 -1.366 -4.111 1.00 6.19 C ATOM 812 CD PRO A 67 -8.223 -2.266 -2.969 1.00 5.51 C ATOM 0 HA PRO A 67 -6.340 -4.247 -4.888 1.00 4.98 H new ATOM 0 HB2 PRO A 67 -6.283 -1.625 -5.567 1.00 5.97 H new ATOM 0 HB3 PRO A 67 -7.733 -2.555 -5.887 1.00 5.97 H new ATOM 0 HG2 PRO A 67 -7.210 -0.542 -3.755 1.00 6.19 H new ATOM 0 HG3 PRO A 67 -8.710 -0.925 -4.575 1.00 6.19 H new ATOM 0 HD2 PRO A 67 -7.951 -1.829 -2.008 1.00 5.51 H new ATOM 0 HD3 PRO A 67 -9.300 -2.432 -2.950 1.00 5.51 H new ATOM 820 N ARG A 68 -4.845 -3.834 -2.609 1.00 4.34 N ATOM 821 CA ARG A 68 -3.717 -3.739 -1.643 1.00 4.37 C ATOM 822 C ARG A 68 -4.225 -3.340 -0.256 1.00 4.47 C ATOM 823 O ARG A 68 -5.443 -3.208 -0.087 1.00 5.10 O ATOM 824 CB ARG A 68 -2.490 -2.930 -2.114 1.00 5.11 C ATOM 825 CG ARG A 68 -1.844 -3.467 -3.407 1.00 5.88 C ATOM 826 CD ARG A 68 -1.531 -4.960 -3.315 1.00 6.72 C ATOM 827 NE ARG A 68 -0.850 -5.440 -4.519 1.00 7.26 N ATOM 828 CZ ARG A 68 -0.810 -6.693 -4.965 1.00 8.17 C ATOM 829 NH1 ARG A 68 -1.437 -7.674 -4.311 1.00 8.64 N ATOM 830 NH2 ARG A 68 -0.135 -6.952 -6.078 1.00 8.80 N ATOM 0 H ARG A 68 -5.404 -4.669 -2.432 1.00 4.34 H new ATOM 0 HA ARG A 68 -3.305 -4.746 -1.576 1.00 4.37 H new ATOM 0 HB2 ARG A 68 -2.790 -1.894 -2.273 1.00 5.11 H new ATOM 0 HB3 ARG A 68 -1.743 -2.928 -1.320 1.00 5.11 H new ATOM 0 HG2 ARG A 68 -2.514 -3.289 -4.248 1.00 5.88 H new ATOM 0 HG3 ARG A 68 -0.925 -2.916 -3.609 1.00 5.88 H new ATOM 0 HD2 ARG A 68 -0.906 -5.149 -2.442 1.00 6.72 H new ATOM 0 HD3 ARG A 68 -2.456 -5.519 -3.171 1.00 6.72 H new ATOM 0 HE ARG A 68 -0.355 -4.741 -5.073 1.00 7.26 H new ATOM 0 HH11 ARG A 68 -1.956 -7.468 -3.457 1.00 8.64 H new ATOM 0 HH12 ARG A 68 -1.397 -8.630 -4.665 1.00 8.64 H new ATOM 0 HH21 ARG A 68 0.340 -6.198 -6.574 1.00 8.80 H new ATOM 0 HH22 ARG A 68 -0.091 -7.905 -6.438 1.00 8.80 H new ATOM 844 N ASP A 69 -3.290 -3.203 0.734 1.00 4.27 N ATOM 845 CA ASP A 69 -3.620 -2.882 2.173 1.00 4.77 C ATOM 846 C ASP A 69 -4.048 -4.131 3.017 1.00 4.67 C ATOM 847 O ASP A 69 -5.133 -4.649 2.779 1.00 5.15 O ATOM 848 CB ASP A 69 -4.731 -1.782 2.310 1.00 5.35 C ATOM 849 CG ASP A 69 -4.376 -0.354 1.905 1.00 6.03 C ATOM 850 OD1 ASP A 69 -3.870 -0.142 0.796 1.00 6.30 O ATOM 851 OD2 ASP A 69 -4.640 0.591 2.732 1.00 6.55 O ATOM 0 H ASP A 69 -2.290 -3.310 0.565 1.00 4.27 H new ATOM 0 HA ASP A 69 -2.681 -2.502 2.575 1.00 4.77 H new ATOM 0 HB2 ASP A 69 -5.588 -2.096 1.713 1.00 5.35 H new ATOM 0 HB3 ASP A 69 -5.057 -1.763 3.350 1.00 5.35 H new ATOM 856 N GLU A 70 -3.100 -4.640 3.952 1.00 4.43 N ATOM 857 CA GLU A 70 -3.384 -5.692 5.053 1.00 4.73 C ATOM 858 C GLU A 70 -2.222 -6.746 5.289 1.00 4.23 C ATOM 859 O GLU A 70 -1.922 -7.540 4.427 1.00 4.51 O ATOM 860 CB GLU A 70 -4.673 -6.492 4.820 1.00 5.46 C ATOM 861 CG GLU A 70 -4.986 -7.457 5.942 1.00 6.15 C ATOM 862 CD GLU A 70 -6.253 -8.213 5.734 1.00 6.83 C ATOM 863 OE1 GLU A 70 -6.221 -9.215 4.990 1.00 7.39 O ATOM 864 OE2 GLU A 70 -7.279 -7.843 6.374 1.00 7.05 O ATOM 0 H GLU A 70 -2.129 -4.328 3.955 1.00 4.43 H new ATOM 0 HA GLU A 70 -3.478 -5.064 5.939 1.00 4.73 H new ATOM 0 HB2 GLU A 70 -5.506 -5.800 4.702 1.00 5.46 H new ATOM 0 HB3 GLU A 70 -4.585 -7.047 3.886 1.00 5.46 H new ATOM 0 HG2 GLU A 70 -4.162 -8.164 6.044 1.00 6.15 H new ATOM 0 HG3 GLU A 70 -5.051 -6.905 6.879 1.00 6.15 H new ATOM 871 N THR A 71 -1.588 -6.740 6.490 1.00 3.85 N ATOM 872 CA THR A 71 -0.652 -7.829 6.886 1.00 3.57 C ATOM 873 C THR A 71 -0.319 -7.715 8.361 1.00 3.98 C ATOM 874 O THR A 71 -0.484 -6.645 8.955 1.00 4.61 O ATOM 875 CB THR A 71 0.690 -7.942 6.051 1.00 3.35 C ATOM 876 OG1 THR A 71 1.227 -9.266 6.201 1.00 3.73 O ATOM 877 CG2 THR A 71 1.782 -7.005 6.553 1.00 3.20 C ATOM 0 H THR A 71 -1.703 -6.008 7.191 1.00 3.85 H new ATOM 0 HA THR A 71 -1.198 -8.745 6.662 1.00 3.57 H new ATOM 0 HB THR A 71 0.430 -7.690 5.023 1.00 3.35 H new ATOM 0 HG1 THR A 71 2.057 -9.343 5.685 1.00 3.73 H new ATOM 0 HG21 THR A 71 2.676 -7.128 5.942 1.00 3.20 H new ATOM 0 HG22 THR A 71 1.436 -5.974 6.486 1.00 3.20 H new ATOM 0 HG23 THR A 71 2.016 -7.242 7.591 1.00 3.20 H new ATOM 885 N PHE A 72 0.142 -8.798 8.943 1.00 3.94 N ATOM 886 CA PHE A 72 0.493 -8.823 10.350 1.00 4.53 C ATOM 887 C PHE A 72 2.007 -8.943 10.515 1.00 4.27 C ATOM 888 O PHE A 72 2.573 -8.510 11.519 1.00 4.46 O ATOM 889 CB PHE A 72 -0.181 -10.030 11.014 1.00 5.25 C ATOM 890 CG PHE A 72 -0.031 -10.103 12.521 1.00 5.93 C ATOM 891 CD1 PHE A 72 -0.884 -9.390 13.361 1.00 6.46 C ATOM 892 CD2 PHE A 72 0.961 -10.887 13.092 1.00 6.31 C ATOM 893 CE1 PHE A 72 -0.747 -9.465 14.740 1.00 7.32 C ATOM 894 CE2 PHE A 72 1.104 -10.959 14.466 1.00 7.11 C ATOM 895 CZ PHE A 72 0.235 -10.221 15.293 1.00 7.60 C ATOM 0 H PHE A 72 0.285 -9.685 8.460 1.00 3.94 H new ATOM 0 HA PHE A 72 0.156 -7.898 10.818 1.00 4.53 H new ATOM 0 HB2 PHE A 72 -1.243 -10.012 10.771 1.00 5.25 H new ATOM 0 HB3 PHE A 72 0.230 -10.941 10.579 1.00 5.25 H new ATOM 0 HD1 PHE A 72 -1.660 -8.772 12.934 1.00 6.46 H new ATOM 0 HD2 PHE A 72 1.630 -11.448 12.456 1.00 6.31 H new ATOM 0 HE1 PHE A 72 -1.426 -8.918 15.377 1.00 7.32 H new ATOM 0 HE2 PHE A 72 1.876 -11.576 14.901 1.00 7.11 H new ATOM 0 HZ PHE A 72 0.350 -10.257 16.366 1.00 7.60 H new ATOM 905 N GLU A 73 2.653 -9.514 9.519 1.00 4.23 N ATOM 906 CA GLU A 73 4.062 -9.838 9.615 1.00 4.34 C ATOM 907 C GLU A 73 4.906 -8.580 9.406 1.00 3.40 C ATOM 908 O GLU A 73 5.744 -8.244 10.222 1.00 3.76 O ATOM 909 CB GLU A 73 4.413 -10.843 8.527 1.00 5.08 C ATOM 910 CG GLU A 73 5.471 -11.850 8.921 1.00 5.69 C ATOM 911 CD GLU A 73 4.915 -12.844 9.921 1.00 6.39 C ATOM 912 OE1 GLU A 73 4.156 -13.748 9.548 1.00 6.72 O ATOM 913 OE2 GLU A 73 5.240 -12.723 11.125 1.00 6.86 O ATOM 0 H GLU A 73 2.222 -9.764 8.629 1.00 4.23 H new ATOM 0 HA GLU A 73 4.266 -10.253 10.602 1.00 4.34 H new ATOM 0 HB2 GLU A 73 3.508 -11.379 8.240 1.00 5.08 H new ATOM 0 HB3 GLU A 73 4.756 -10.301 7.646 1.00 5.08 H new ATOM 0 HG2 GLU A 73 5.827 -12.377 8.036 1.00 5.69 H new ATOM 0 HG3 GLU A 73 6.329 -11.334 9.351 1.00 5.69 H new ATOM 920 N TYR A 74 4.627 -7.910 8.274 1.00 2.52 N ATOM 921 CA TYR A 74 5.309 -6.666 7.777 1.00 1.62 C ATOM 922 C TYR A 74 6.840 -6.782 7.582 1.00 1.55 C ATOM 923 O TYR A 74 7.478 -7.695 8.100 1.00 2.04 O ATOM 924 CB TYR A 74 4.913 -5.383 8.528 1.00 1.64 C ATOM 925 CG TYR A 74 5.313 -5.276 9.975 1.00 2.33 C ATOM 926 CD1 TYR A 74 6.616 -4.986 10.325 1.00 3.09 C ATOM 927 CD2 TYR A 74 4.401 -5.508 10.967 1.00 2.84 C ATOM 928 CE1 TYR A 74 6.991 -4.906 11.657 1.00 4.10 C ATOM 929 CE2 TYR A 74 4.752 -5.448 12.303 1.00 3.84 C ATOM 930 CZ TYR A 74 6.051 -5.010 12.636 1.00 4.41 C ATOM 931 OH TYR A 74 6.409 -5.090 13.971 1.00 5.54 O ATOM 0 H TYR A 74 3.890 -8.221 7.641 1.00 2.52 H new ATOM 0 HA TYR A 74 4.905 -6.566 6.770 1.00 1.62 H new ATOM 0 HB2 TYR A 74 5.344 -4.535 7.996 1.00 1.64 H new ATOM 0 HB3 TYR A 74 3.830 -5.279 8.469 1.00 1.64 H new ATOM 0 HD1 TYR A 74 7.352 -4.819 9.552 1.00 3.09 H new ATOM 0 HD2 TYR A 74 3.381 -5.744 10.700 1.00 2.84 H new ATOM 0 HE1 TYR A 74 8.029 -4.761 11.918 1.00 4.10 H new ATOM 0 HE2 TYR A 74 4.049 -5.730 13.073 1.00 3.84 H new ATOM 0 HH TYR A 74 5.602 -5.158 14.523 1.00 5.54 H new ATOM 941 N ILE A 75 7.425 -5.848 6.795 1.00 1.22 N ATOM 942 CA ILE A 75 8.853 -5.887 6.483 1.00 1.39 C ATOM 943 C ILE A 75 9.364 -4.490 6.229 1.00 0.98 C ATOM 944 O ILE A 75 8.600 -3.598 5.829 1.00 1.15 O ATOM 945 CB ILE A 75 9.257 -6.810 5.248 1.00 2.16 C ATOM 946 CG1 ILE A 75 8.558 -6.424 3.918 1.00 2.78 C ATOM 947 CG2 ILE A 75 9.090 -8.300 5.548 1.00 2.77 C ATOM 948 CD1 ILE A 75 7.061 -6.680 3.862 1.00 3.80 C ATOM 0 H ILE A 75 6.924 -5.067 6.372 1.00 1.22 H new ATOM 0 HA ILE A 75 9.316 -6.336 7.362 1.00 1.39 H new ATOM 0 HB ILE A 75 10.320 -6.619 5.099 1.00 2.16 H new ATOM 0 HG12 ILE A 75 8.734 -5.365 3.730 1.00 2.78 H new ATOM 0 HG13 ILE A 75 9.033 -6.975 3.106 1.00 2.78 H new ATOM 0 HG21 ILE A 75 9.379 -8.882 4.673 1.00 2.77 H new ATOM 0 HG22 ILE A 75 9.723 -8.574 6.392 1.00 2.77 H new ATOM 0 HG23 ILE A 75 8.048 -8.507 5.794 1.00 2.77 H new ATOM 0 HD11 ILE A 75 6.676 -6.374 2.889 1.00 3.80 H new ATOM 0 HD12 ILE A 75 6.868 -7.742 4.011 1.00 3.80 H new ATOM 0 HD13 ILE A 75 6.564 -6.107 4.645 1.00 3.80 H new ATOM 960 N ILE A 76 10.633 -4.288 6.463 1.00 0.97 N ATOM 961 CA ILE A 76 11.234 -2.988 6.262 1.00 0.87 C ATOM 962 C ILE A 76 12.162 -3.081 5.085 1.00 0.78 C ATOM 963 O ILE A 76 12.949 -4.037 4.989 1.00 1.17 O ATOM 964 CB ILE A 76 12.074 -2.561 7.496 1.00 1.64 C ATOM 965 CG1 ILE A 76 11.260 -2.731 8.807 1.00 2.14 C ATOM 966 CG2 ILE A 76 12.606 -1.124 7.337 1.00 1.87 C ATOM 967 CD1 ILE A 76 9.913 -2.036 8.823 1.00 2.42 C ATOM 0 H ILE A 76 11.276 -5.007 6.794 1.00 0.97 H new ATOM 0 HA ILE A 76 10.442 -2.257 6.102 1.00 0.87 H new ATOM 0 HB ILE A 76 12.940 -3.220 7.560 1.00 1.64 H new ATOM 0 HG12 ILE A 76 11.104 -3.795 8.984 1.00 2.14 H new ATOM 0 HG13 ILE A 76 11.856 -2.353 9.638 1.00 2.14 H new ATOM 0 HG21 ILE A 76 13.190 -0.853 8.216 1.00 1.87 H new ATOM 0 HG22 ILE A 76 13.237 -1.066 6.450 1.00 1.87 H new ATOM 0 HG23 ILE A 76 11.768 -0.435 7.232 1.00 1.87 H new ATOM 0 HD11 ILE A 76 9.423 -2.214 9.780 1.00 2.42 H new ATOM 0 HD12 ILE A 76 10.055 -0.964 8.682 1.00 2.42 H new ATOM 0 HD13 ILE A 76 9.291 -2.429 8.018 1.00 2.42 H new ATOM 979 N PHE A 77 12.098 -2.141 4.189 1.00 0.64 N ATOM 980 CA PHE A 77 12.980 -2.200 3.069 1.00 0.75 C ATOM 981 C PHE A 77 14.114 -1.263 3.318 1.00 0.68 C ATOM 982 O PHE A 77 13.907 -0.191 3.885 1.00 0.65 O ATOM 983 CB PHE A 77 12.273 -1.853 1.765 1.00 1.02 C ATOM 984 CG PHE A 77 11.109 -2.748 1.413 1.00 1.18 C ATOM 985 CD1 PHE A 77 9.969 -2.778 2.208 1.00 1.69 C ATOM 986 CD2 PHE A 77 11.142 -3.546 0.283 1.00 1.44 C ATOM 987 CE1 PHE A 77 8.899 -3.577 1.893 1.00 2.31 C ATOM 988 CE2 PHE A 77 10.058 -4.340 -0.040 1.00 1.87 C ATOM 989 CZ PHE A 77 8.944 -4.361 0.772 1.00 2.30 C ATOM 0 H PHE A 77 11.461 -1.345 4.211 1.00 0.64 H new ATOM 0 HA PHE A 77 13.347 -3.221 2.960 1.00 0.75 H new ATOM 0 HB2 PHE A 77 11.916 -0.825 1.825 1.00 1.02 H new ATOM 0 HB3 PHE A 77 13.000 -1.891 0.954 1.00 1.02 H new ATOM 0 HD1 PHE A 77 9.925 -2.159 3.092 1.00 1.69 H new ATOM 0 HD2 PHE A 77 12.018 -3.548 -0.349 1.00 1.44 H new ATOM 0 HE1 PHE A 77 8.025 -3.587 2.527 1.00 2.31 H new ATOM 0 HE2 PHE A 77 10.084 -4.947 -0.933 1.00 1.87 H new ATOM 0 HZ PHE A 77 8.107 -4.996 0.523 1.00 2.30 H new ATOM 999 N ARG A 78 15.302 -1.659 2.917 1.00 0.76 N ATOM 1000 CA ARG A 78 16.462 -0.897 3.124 1.00 0.80 C ATOM 1001 C ARG A 78 16.970 -0.347 1.834 1.00 0.71 C ATOM 1002 O ARG A 78 16.766 -0.905 0.791 1.00 1.01 O ATOM 1003 CB ARG A 78 17.577 -1.692 3.846 1.00 1.04 C ATOM 1004 CG ARG A 78 17.371 -1.952 5.358 1.00 1.36 C ATOM 1005 CD ARG A 78 16.149 -2.810 5.666 1.00 1.38 C ATOM 1006 NE ARG A 78 15.984 -3.009 7.113 1.00 2.06 N ATOM 1007 CZ ARG A 78 15.428 -4.082 7.685 1.00 2.69 C ATOM 1008 NH1 ARG A 78 14.898 -5.045 6.932 1.00 3.02 N ATOM 1009 NH2 ARG A 78 15.353 -4.167 9.014 1.00 3.45 N ATOM 0 H ARG A 78 15.467 -2.540 2.431 1.00 0.76 H new ATOM 0 HA ARG A 78 16.181 -0.072 3.779 1.00 0.80 H new ATOM 0 HB2 ARG A 78 17.688 -2.654 3.346 1.00 1.04 H new ATOM 0 HB3 ARG A 78 18.517 -1.155 3.717 1.00 1.04 H new ATOM 0 HG2 ARG A 78 18.259 -2.441 5.759 1.00 1.36 H new ATOM 0 HG3 ARG A 78 17.273 -0.996 5.873 1.00 1.36 H new ATOM 0 HD2 ARG A 78 15.257 -2.335 5.259 1.00 1.38 H new ATOM 0 HD3 ARG A 78 16.248 -3.777 5.173 1.00 1.38 H new ATOM 0 HE ARG A 78 16.320 -2.270 7.730 1.00 2.06 H new ATOM 0 HH11 ARG A 78 14.916 -4.965 5.915 1.00 3.02 H new ATOM 0 HH12 ARG A 78 14.475 -5.862 7.372 1.00 3.02 H new ATOM 0 HH21 ARG A 78 15.720 -3.413 9.595 1.00 3.45 H new ATOM 0 HH22 ARG A 78 14.929 -4.986 9.450 1.00 3.45 H new ATOM 1023 N GLY A 79 17.564 0.774 1.969 1.00 0.66 N ATOM 1024 CA GLY A 79 18.225 1.553 0.914 1.00 0.72 C ATOM 1025 C GLY A 79 19.239 0.743 0.135 1.00 0.64 C ATOM 1026 O GLY A 79 19.582 1.054 -1.003 1.00 0.76 O ATOM 0 H GLY A 79 17.624 1.235 2.877 1.00 0.66 H new ATOM 0 HA2 GLY A 79 17.471 1.940 0.228 1.00 0.72 H new ATOM 0 HA3 GLY A 79 18.721 2.414 1.361 1.00 0.72 H new ATOM 1030 N SER A 80 19.706 -0.283 0.763 1.00 0.62 N ATOM 1031 CA SER A 80 20.670 -1.179 0.199 1.00 0.79 C ATOM 1032 C SER A 80 19.984 -2.370 -0.458 1.00 0.77 C ATOM 1033 O SER A 80 20.596 -3.120 -1.225 1.00 1.04 O ATOM 1034 CB SER A 80 21.582 -1.639 1.332 1.00 0.94 C ATOM 1035 OG SER A 80 20.798 -2.064 2.457 1.00 1.64 O ATOM 0 H SER A 80 19.422 -0.532 1.710 1.00 0.62 H new ATOM 0 HA SER A 80 21.248 -0.676 -0.576 1.00 0.79 H new ATOM 0 HB2 SER A 80 22.215 -2.458 0.990 1.00 0.94 H new ATOM 0 HB3 SER A 80 22.245 -0.826 1.628 1.00 0.94 H new ATOM 0 HG SER A 80 20.228 -2.816 2.193 1.00 1.64 H new ATOM 1041 N ASP A 81 18.710 -2.515 -0.173 1.00 0.61 N ATOM 1042 CA ASP A 81 17.953 -3.671 -0.598 1.00 0.76 C ATOM 1043 C ASP A 81 16.800 -3.291 -1.537 1.00 0.58 C ATOM 1044 O ASP A 81 16.127 -4.162 -2.081 1.00 0.63 O ATOM 1045 CB ASP A 81 17.418 -4.445 0.630 1.00 0.99 C ATOM 1046 CG ASP A 81 18.525 -5.000 1.540 1.00 1.58 C ATOM 1047 OD1 ASP A 81 19.119 -4.209 2.333 1.00 1.92 O ATOM 1048 OD2 ASP A 81 18.796 -6.217 1.488 1.00 2.00 O ATOM 0 H ASP A 81 18.169 -1.835 0.360 1.00 0.61 H new ATOM 0 HA ASP A 81 18.629 -4.316 -1.159 1.00 0.76 H new ATOM 0 HB2 ASP A 81 16.777 -3.784 1.214 1.00 0.99 H new ATOM 0 HB3 ASP A 81 16.795 -5.270 0.285 1.00 0.99 H new ATOM 1053 N ILE A 82 16.549 -2.006 -1.708 1.00 0.49 N ATOM 1054 CA ILE A 82 15.497 -1.573 -2.643 1.00 0.42 C ATOM 1055 C ILE A 82 15.970 -1.511 -4.108 1.00 0.38 C ATOM 1056 O ILE A 82 17.132 -1.194 -4.401 1.00 0.47 O ATOM 1057 CB ILE A 82 14.867 -0.204 -2.264 1.00 0.49 C ATOM 1058 CG1 ILE A 82 15.943 0.887 -2.122 1.00 0.96 C ATOM 1059 CG2 ILE A 82 14.025 -0.329 -1.002 1.00 0.89 C ATOM 1060 CD1 ILE A 82 15.390 2.254 -1.763 1.00 1.70 C ATOM 0 H ILE A 82 17.040 -1.250 -1.230 1.00 0.49 H new ATOM 0 HA ILE A 82 14.736 -2.348 -2.554 1.00 0.42 H new ATOM 0 HB ILE A 82 14.206 0.101 -3.076 1.00 0.49 H new ATOM 0 HG12 ILE A 82 16.656 0.582 -1.356 1.00 0.96 H new ATOM 0 HG13 ILE A 82 16.494 0.964 -3.059 1.00 0.96 H new ATOM 0 HG21 ILE A 82 13.594 0.641 -0.755 1.00 0.89 H new ATOM 0 HG22 ILE A 82 13.225 -1.050 -1.168 1.00 0.89 H new ATOM 0 HG23 ILE A 82 14.653 -0.667 -0.178 1.00 0.89 H new ATOM 0 HD11 ILE A 82 16.210 2.968 -1.681 1.00 1.70 H new ATOM 0 HD12 ILE A 82 14.699 2.582 -2.539 1.00 1.70 H new ATOM 0 HD13 ILE A 82 14.864 2.195 -0.810 1.00 1.70 H new ATOM 1072 N LYS A 83 15.073 -1.888 -5.002 1.00 0.34 N ATOM 1073 CA LYS A 83 15.262 -1.734 -6.440 1.00 0.36 C ATOM 1074 C LYS A 83 14.490 -0.516 -6.973 1.00 0.38 C ATOM 1075 O LYS A 83 15.092 0.465 -7.397 1.00 0.58 O ATOM 1076 CB LYS A 83 14.829 -3.009 -7.167 1.00 0.50 C ATOM 1077 CG LYS A 83 15.795 -4.170 -7.003 1.00 0.86 C ATOM 1078 CD LYS A 83 17.050 -3.948 -7.847 1.00 0.97 C ATOM 1079 CE LYS A 83 18.092 -5.048 -7.653 1.00 1.01 C ATOM 1080 NZ LYS A 83 18.768 -4.957 -6.332 1.00 1.59 N ATOM 0 H LYS A 83 14.181 -2.315 -4.750 1.00 0.34 H new ATOM 0 HA LYS A 83 16.322 -1.564 -6.630 1.00 0.36 H new ATOM 0 HB2 LYS A 83 13.848 -3.310 -6.798 1.00 0.50 H new ATOM 0 HB3 LYS A 83 14.717 -2.790 -8.229 1.00 0.50 H new ATOM 0 HG2 LYS A 83 16.070 -4.276 -5.954 1.00 0.86 H new ATOM 0 HG3 LYS A 83 15.309 -5.099 -7.301 1.00 0.86 H new ATOM 0 HD2 LYS A 83 16.771 -3.899 -8.900 1.00 0.97 H new ATOM 0 HD3 LYS A 83 17.491 -2.985 -7.589 1.00 0.97 H new ATOM 0 HE2 LYS A 83 17.611 -6.022 -7.746 1.00 1.01 H new ATOM 0 HE3 LYS A 83 18.837 -4.983 -8.446 1.00 1.01 H new ATOM 0 HZ1 LYS A 83 19.799 -4.997 -6.466 1.00 1.59 H new ATOM 0 HZ2 LYS A 83 18.513 -4.059 -5.873 1.00 1.59 H new ATOM 0 HZ3 LYS A 83 18.466 -5.751 -5.732 1.00 1.59 H new ATOM 1094 N ASP A 84 13.164 -0.572 -6.914 1.00 0.34 N ATOM 1095 CA ASP A 84 12.327 0.507 -7.465 1.00 0.44 C ATOM 1096 C ASP A 84 11.144 0.815 -6.604 1.00 0.48 C ATOM 1097 O ASP A 84 10.591 -0.069 -5.960 1.00 0.78 O ATOM 1098 CB ASP A 84 11.850 0.204 -8.890 1.00 0.77 C ATOM 1099 CG ASP A 84 12.924 0.393 -9.948 1.00 1.37 C ATOM 1100 OD1 ASP A 84 13.103 1.543 -10.415 1.00 1.49 O ATOM 1101 OD2 ASP A 84 13.559 -0.587 -10.352 1.00 2.22 O ATOM 0 H ASP A 84 12.642 -1.342 -6.496 1.00 0.34 H new ATOM 0 HA ASP A 84 12.974 1.384 -7.490 1.00 0.44 H new ATOM 0 HB2 ASP A 84 11.489 -0.823 -8.932 1.00 0.77 H new ATOM 0 HB3 ASP A 84 11.004 0.849 -9.125 1.00 0.77 H new ATOM 1106 N LEU A 85 10.736 2.054 -6.626 1.00 0.48 N ATOM 1107 CA LEU A 85 9.648 2.529 -5.818 1.00 0.72 C ATOM 1108 C LEU A 85 8.702 3.392 -6.657 1.00 0.61 C ATOM 1109 O LEU A 85 9.142 4.271 -7.393 1.00 0.86 O ATOM 1110 CB LEU A 85 10.212 3.354 -4.651 1.00 1.47 C ATOM 1111 CG LEU A 85 9.190 3.962 -3.675 1.00 2.12 C ATOM 1112 CD1 LEU A 85 8.416 2.883 -2.954 1.00 2.79 C ATOM 1113 CD2 LEU A 85 9.876 4.898 -2.687 1.00 2.86 C ATOM 0 H LEU A 85 11.157 2.773 -7.215 1.00 0.48 H new ATOM 0 HA LEU A 85 9.088 1.678 -5.430 1.00 0.72 H new ATOM 0 HB2 LEU A 85 10.889 2.718 -4.081 1.00 1.47 H new ATOM 0 HB3 LEU A 85 10.810 4.165 -5.066 1.00 1.47 H new ATOM 0 HG LEU A 85 8.478 4.548 -4.256 1.00 2.12 H new ATOM 0 HD11 LEU A 85 7.701 3.342 -2.271 1.00 2.79 H new ATOM 0 HD12 LEU A 85 7.882 2.271 -3.681 1.00 2.79 H new ATOM 0 HD13 LEU A 85 9.106 2.256 -2.389 1.00 2.79 H new ATOM 0 HD21 LEU A 85 9.134 5.316 -2.007 1.00 2.86 H new ATOM 0 HD22 LEU A 85 10.620 4.342 -2.116 1.00 2.86 H new ATOM 0 HD23 LEU A 85 10.366 5.706 -3.231 1.00 2.86 H new ATOM 1125 N THR A 86 7.429 3.111 -6.564 1.00 0.61 N ATOM 1126 CA THR A 86 6.419 3.889 -7.221 1.00 0.83 C ATOM 1127 C THR A 86 5.207 3.992 -6.279 1.00 0.83 C ATOM 1128 O THR A 86 5.080 3.197 -5.333 1.00 0.91 O ATOM 1129 CB THR A 86 6.016 3.273 -8.611 1.00 1.18 C ATOM 1130 OG1 THR A 86 5.068 4.120 -9.261 1.00 1.88 O ATOM 1131 CG2 THR A 86 5.403 1.886 -8.456 1.00 1.64 C ATOM 0 H THR A 86 7.063 2.327 -6.024 1.00 0.61 H new ATOM 0 HA THR A 86 6.809 4.884 -7.435 1.00 0.83 H new ATOM 0 HB THR A 86 6.925 3.189 -9.206 1.00 1.18 H new ATOM 0 HG1 THR A 86 4.822 3.732 -10.127 1.00 1.88 H new ATOM 0 HG21 THR A 86 5.138 1.494 -9.438 1.00 1.64 H new ATOM 0 HG22 THR A 86 6.124 1.220 -7.982 1.00 1.64 H new ATOM 0 HG23 THR A 86 4.508 1.951 -7.837 1.00 1.64 H new ATOM 1139 N VAL A 87 4.344 4.947 -6.513 1.00 1.10 N ATOM 1140 CA VAL A 87 3.194 5.158 -5.657 1.00 1.29 C ATOM 1141 C VAL A 87 1.918 4.805 -6.420 1.00 1.44 C ATOM 1142 O VAL A 87 1.809 5.092 -7.612 1.00 1.74 O ATOM 1143 CB VAL A 87 3.133 6.636 -5.130 1.00 1.88 C ATOM 1144 CG1 VAL A 87 3.010 7.642 -6.282 1.00 2.70 C ATOM 1145 CG2 VAL A 87 2.002 6.821 -4.118 1.00 2.21 C ATOM 0 H VAL A 87 4.413 5.598 -7.295 1.00 1.10 H new ATOM 0 HA VAL A 87 3.287 4.507 -4.787 1.00 1.29 H new ATOM 0 HB VAL A 87 4.075 6.834 -4.618 1.00 1.88 H new ATOM 0 HG11 VAL A 87 2.970 8.654 -5.879 1.00 2.70 H new ATOM 0 HG12 VAL A 87 3.873 7.548 -6.941 1.00 2.70 H new ATOM 0 HG13 VAL A 87 2.099 7.440 -6.846 1.00 2.70 H new ATOM 0 HG21 VAL A 87 1.988 7.855 -3.773 1.00 2.21 H new ATOM 0 HG22 VAL A 87 1.049 6.583 -4.590 1.00 2.21 H new ATOM 0 HG23 VAL A 87 2.162 6.157 -3.268 1.00 2.21 H new ATOM 1155 N CYS A 88 0.972 4.180 -5.748 1.00 1.53 N ATOM 1156 CA CYS A 88 -0.258 3.808 -6.398 1.00 1.91 C ATOM 1157 C CYS A 88 -1.311 4.889 -6.160 1.00 1.83 C ATOM 1158 O CYS A 88 -2.008 5.306 -7.088 1.00 2.53 O ATOM 1159 CB CYS A 88 -0.734 2.431 -5.915 1.00 2.71 C ATOM 1160 SG CYS A 88 -2.211 1.800 -6.757 1.00 3.39 S ATOM 0 H CYS A 88 1.034 3.923 -4.763 1.00 1.53 H new ATOM 0 HA CYS A 88 -0.089 3.728 -7.472 1.00 1.91 H new ATOM 0 HB2 CYS A 88 0.077 1.715 -6.048 1.00 2.71 H new ATOM 0 HB3 CYS A 88 -0.938 2.487 -4.846 1.00 2.71 H new ATOM 0 HG CYS A 88 -2.522 0.634 -6.273 1.00 3.39 H new ATOM 1166 N GLU A 89 -1.405 5.358 -4.931 1.00 1.89 N ATOM 1167 CA GLU A 89 -2.336 6.412 -4.600 1.00 2.59 C ATOM 1168 C GLU A 89 -1.695 7.363 -3.613 1.00 3.36 C ATOM 1169 O GLU A 89 -1.319 6.948 -2.509 1.00 3.69 O ATOM 1170 CB GLU A 89 -3.631 5.854 -3.981 1.00 3.16 C ATOM 1171 CG GLU A 89 -4.632 6.953 -3.574 1.00 3.65 C ATOM 1172 CD GLU A 89 -5.869 6.426 -2.858 1.00 4.56 C ATOM 1173 OE1 GLU A 89 -5.787 6.112 -1.655 1.00 5.04 O ATOM 1174 OE2 GLU A 89 -6.931 6.293 -3.524 1.00 5.07 O ATOM 0 H GLU A 89 -0.846 5.023 -4.146 1.00 1.89 H new ATOM 0 HA GLU A 89 -2.590 6.931 -5.524 1.00 2.59 H new ATOM 0 HB2 GLU A 89 -4.108 5.184 -4.696 1.00 3.16 H new ATOM 0 HB3 GLU A 89 -3.379 5.258 -3.104 1.00 3.16 H new ATOM 0 HG2 GLU A 89 -4.127 7.669 -2.926 1.00 3.65 H new ATOM 0 HG3 GLU A 89 -4.944 7.495 -4.467 1.00 3.65 H new ATOM 1181 N PRO A 90 -1.496 8.627 -4.000 1.00 4.20 N ATOM 1182 CA PRO A 90 -1.064 9.653 -3.073 1.00 5.33 C ATOM 1183 C PRO A 90 -2.276 10.097 -2.233 1.00 5.94 C ATOM 1184 O PRO A 90 -3.223 10.705 -2.760 1.00 6.31 O ATOM 1185 CB PRO A 90 -0.576 10.804 -3.982 1.00 6.12 C ATOM 1186 CG PRO A 90 -0.666 10.282 -5.384 1.00 5.67 C ATOM 1187 CD PRO A 90 -1.654 9.149 -5.357 1.00 4.55 C ATOM 0 HA PRO A 90 -0.286 9.325 -2.383 1.00 5.33 H new ATOM 0 HB2 PRO A 90 -1.195 11.692 -3.855 1.00 6.12 H new ATOM 0 HB3 PRO A 90 0.447 11.090 -3.736 1.00 6.12 H new ATOM 0 HG2 PRO A 90 -0.992 11.065 -6.069 1.00 5.67 H new ATOM 0 HG3 PRO A 90 0.308 9.939 -5.733 1.00 5.67 H new ATOM 0 HD2 PRO A 90 -2.671 9.493 -5.544 1.00 4.55 H new ATOM 0 HD3 PRO A 90 -1.428 8.395 -6.111 1.00 4.55 H new ATOM 1195 N PRO A 91 -2.290 9.755 -0.938 1.00 6.36 N ATOM 1196 CA PRO A 91 -3.423 10.032 -0.092 1.00 7.26 C ATOM 1197 C PRO A 91 -3.537 11.496 0.293 1.00 8.19 C ATOM 1198 O PRO A 91 -2.544 12.134 0.668 1.00 8.59 O ATOM 1199 CB PRO A 91 -3.219 9.148 1.141 1.00 7.68 C ATOM 1200 CG PRO A 91 -1.774 8.752 1.139 1.00 7.18 C ATOM 1201 CD PRO A 91 -1.193 9.094 -0.217 1.00 6.33 C ATOM 0 HA PRO A 91 -4.356 9.817 -0.613 1.00 7.26 H new ATOM 0 HB2 PRO A 91 -3.473 9.688 2.053 1.00 7.68 H new ATOM 0 HB3 PRO A 91 -3.863 8.270 1.101 1.00 7.68 H new ATOM 0 HG2 PRO A 91 -1.235 9.277 1.927 1.00 7.18 H new ATOM 0 HG3 PRO A 91 -1.672 7.685 1.339 1.00 7.18 H new ATOM 0 HD2 PRO A 91 -0.329 9.751 -0.123 1.00 6.33 H new ATOM 0 HD3 PRO A 91 -0.857 8.199 -0.741 1.00 6.33 H new ATOM 1209 N LYS A 92 -4.777 12.005 0.202 1.00 8.73 N ATOM 1210 CA LYS A 92 -5.131 13.385 0.536 1.00 9.77 C ATOM 1211 C LYS A 92 -4.633 14.377 -0.526 1.00 10.34 C ATOM 1212 O LYS A 92 -3.527 14.883 -0.451 1.00 10.73 O ATOM 1213 CB LYS A 92 -4.694 13.751 1.983 1.00 10.41 C ATOM 1214 CG LYS A 92 -5.013 15.159 2.419 1.00 10.86 C ATOM 1215 CD LYS A 92 -4.681 15.351 3.886 1.00 11.51 C ATOM 1216 CE LYS A 92 -4.963 16.765 4.323 1.00 12.15 C ATOM 1217 NZ LYS A 92 -6.354 17.162 4.037 1.00 12.69 N ATOM 0 H LYS A 92 -5.575 11.453 -0.113 1.00 8.73 H new ATOM 0 HA LYS A 92 -6.218 13.465 0.522 1.00 9.77 H new ATOM 0 HB2 LYS A 92 -5.172 13.058 2.675 1.00 10.41 H new ATOM 0 HB3 LYS A 92 -3.618 13.597 2.069 1.00 10.41 H new ATOM 0 HG2 LYS A 92 -4.447 15.869 1.816 1.00 10.86 H new ATOM 0 HG3 LYS A 92 -6.069 15.368 2.249 1.00 10.86 H new ATOM 0 HD2 LYS A 92 -5.266 14.657 4.489 1.00 11.51 H new ATOM 0 HD3 LYS A 92 -3.631 15.116 4.059 1.00 11.51 H new ATOM 0 HE2 LYS A 92 -4.771 16.860 5.392 1.00 12.15 H new ATOM 0 HE3 LYS A 92 -4.280 17.445 3.815 1.00 12.15 H new ATOM 0 HZ1 LYS A 92 -6.547 18.087 4.472 1.00 12.69 H new ATOM 0 HZ2 LYS A 92 -6.492 17.227 3.008 1.00 12.69 H new ATOM 0 HZ3 LYS A 92 -7.005 16.452 4.429 1.00 12.69 H new ATOM 1231 N PRO A 93 -5.469 14.612 -1.575 1.00 10.61 N ATOM 1232 CA PRO A 93 -5.131 15.516 -2.684 1.00 11.40 C ATOM 1233 C PRO A 93 -5.261 16.989 -2.295 1.00 12.54 C ATOM 1234 O PRO A 93 -4.573 17.851 -2.835 1.00 13.22 O ATOM 1235 CB PRO A 93 -6.168 15.178 -3.773 1.00 11.51 C ATOM 1236 CG PRO A 93 -6.923 13.985 -3.265 1.00 10.88 C ATOM 1237 CD PRO A 93 -6.790 14.001 -1.774 1.00 10.42 C ATOM 0 HA PRO A 93 -4.097 15.381 -3.000 1.00 11.40 H new ATOM 0 HB2 PRO A 93 -6.839 16.019 -3.948 1.00 11.51 H new ATOM 0 HB3 PRO A 93 -5.680 14.956 -4.722 1.00 11.51 H new ATOM 0 HG2 PRO A 93 -7.971 14.034 -3.562 1.00 10.88 H new ATOM 0 HG3 PRO A 93 -6.517 13.063 -3.681 1.00 10.88 H new ATOM 0 HD2 PRO A 93 -7.581 14.584 -1.303 1.00 10.42 H new ATOM 0 HD3 PRO A 93 -6.840 12.997 -1.352 1.00 10.42 H new ATOM 1245 N ILE A 94 -6.154 17.263 -1.373 1.00 12.89 N ATOM 1246 CA ILE A 94 -6.360 18.600 -0.892 1.00 14.03 C ATOM 1247 C ILE A 94 -6.001 18.669 0.566 1.00 14.23 C ATOM 1248 O ILE A 94 -6.311 17.745 1.338 1.00 14.51 O ATOM 1249 CB ILE A 94 -7.816 19.113 -1.115 1.00 14.82 C ATOM 1250 CG1 ILE A 94 -8.853 18.175 -0.458 1.00 14.80 C ATOM 1251 CG2 ILE A 94 -8.109 19.289 -2.603 1.00 15.27 C ATOM 1252 CD1 ILE A 94 -10.285 18.658 -0.584 1.00 15.38 C ATOM 0 H ILE A 94 -6.755 16.563 -0.939 1.00 12.89 H new ATOM 0 HA ILE A 94 -5.710 19.256 -1.472 1.00 14.03 H new ATOM 0 HB ILE A 94 -7.899 20.087 -0.633 1.00 14.82 H new ATOM 0 HG12 ILE A 94 -8.772 17.187 -0.910 1.00 14.80 H new ATOM 0 HG13 ILE A 94 -8.609 18.063 0.598 1.00 14.80 H new ATOM 0 HG21 ILE A 94 -9.130 19.647 -2.733 1.00 15.27 H new ATOM 0 HG22 ILE A 94 -7.414 20.013 -3.028 1.00 15.27 H new ATOM 0 HG23 ILE A 94 -7.993 18.332 -3.112 1.00 15.27 H new ATOM 0 HD11 ILE A 94 -10.953 17.947 -0.099 1.00 15.38 H new ATOM 0 HD12 ILE A 94 -10.384 19.633 -0.106 1.00 15.38 H new ATOM 0 HD13 ILE A 94 -10.549 18.742 -1.638 1.00 15.38 H new ATOM 1264 N MET A 95 -5.343 19.720 0.950 1.00 14.23 N ATOM 1265 CA MET A 95 -4.914 19.889 2.310 1.00 14.59 C ATOM 1266 C MET A 95 -6.027 20.507 3.125 1.00 14.93 C ATOM 1267 O MET A 95 -6.252 21.706 3.006 1.00 15.26 O ATOM 1268 CB MET A 95 -3.617 20.713 2.405 1.00 14.98 C ATOM 1269 CG MET A 95 -2.425 20.071 1.707 1.00 15.22 C ATOM 1270 SD MET A 95 -1.963 18.469 2.416 1.00 15.95 S ATOM 1271 CE MET A 95 -1.382 18.948 4.042 1.00 16.63 C ATOM 1272 OXT MET A 95 -6.690 19.757 3.877 1.00 15.00 O ATOM 0 H MET A 95 -5.086 20.488 0.330 1.00 14.23 H new ATOM 0 HA MET A 95 -4.685 18.906 2.722 1.00 14.59 H new ATOM 0 HB2 MET A 95 -3.792 21.698 1.972 1.00 14.98 H new ATOM 0 HB3 MET A 95 -3.371 20.865 3.456 1.00 14.98 H new ATOM 0 HG2 MET A 95 -2.658 19.940 0.650 1.00 15.22 H new ATOM 0 HG3 MET A 95 -1.571 20.746 1.764 1.00 15.22 H new ATOM 0 HE1 MET A 95 -0.856 18.111 4.502 1.00 16.63 H new ATOM 0 HE2 MET A 95 -0.704 19.797 3.951 1.00 16.63 H new ATOM 0 HE3 MET A 95 -2.232 19.228 4.664 1.00 16.63 H new TER 1282 MET A 95