USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 136:sc= 1.18 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 1.02 USER MOD Single : A 2 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.41) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -73:sc= 1.1 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.142 K(o=-0.14,f=-5.1!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.341 K(o=-0.34,f=-1.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 41 GLN : amide:sc= 0.0779 X(o=0.078,f=-0.0023) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0949 X(o=-0.095,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -160:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.341 X(o=-0.34,f=-0.38) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0529 X(o=-0.053,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 8.918 -8.863 -2.025 1.00 0.00 N ATOM 19 CA GLN A 2 7.547 -8.398 -2.150 1.00 0.00 C ATOM 20 C GLN A 2 7.072 -7.851 -0.810 1.00 0.00 C ATOM 21 O GLN A 2 7.817 -7.865 0.167 1.00 0.00 O ATOM 22 CB GLN A 2 6.655 -9.551 -2.611 1.00 0.00 C ATOM 23 CG GLN A 2 6.875 -9.817 -4.100 1.00 0.00 C ATOM 24 CD GLN A 2 6.047 -11.005 -4.572 1.00 0.00 C ATOM 25 OE1 GLN A 2 5.970 -12.023 -3.889 1.00 0.00 O ATOM 26 NE2 GLN A 2 5.439 -10.879 -5.752 1.00 0.00 N ATOM 0 HA GLN A 2 7.493 -7.600 -2.891 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.880 -10.449 -2.035 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.608 -9.308 -2.427 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.606 -8.931 -4.675 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.932 -10.009 -4.286 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.532 -10.014 -6.284 1.00 0.00 H new ATOM 0 HE22 GLN A 2 4.881 -11.648 -6.123 1.00 0.00 H new ATOM 35 N ILE A 3 5.835 -7.354 -0.772 1.00 0.00 N ATOM 36 CA ILE A 3 5.238 -6.844 0.448 1.00 0.00 C ATOM 37 C ILE A 3 3.821 -7.389 0.571 1.00 0.00 C ATOM 38 O ILE A 3 3.332 -8.050 -0.343 1.00 0.00 O ATOM 39 CB ILE A 3 5.245 -5.314 0.436 1.00 0.00 C ATOM 40 CG1 ILE A 3 4.455 -4.800 -0.770 1.00 0.00 C ATOM 41 CG2 ILE A 3 6.687 -4.813 0.375 1.00 0.00 C ATOM 42 CD1 ILE A 3 4.359 -3.276 -0.736 1.00 0.00 C ATOM 0 H ILE A 3 5.226 -7.297 -1.588 1.00 0.00 H new ATOM 0 HA ILE A 3 5.817 -7.171 1.312 1.00 0.00 H new ATOM 0 HB ILE A 3 4.775 -4.941 1.346 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.940 -5.119 -1.693 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.455 -5.233 -0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.693 -3.723 0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.234 -5.172 1.247 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.164 -5.186 -0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.794 -2.928 -1.601 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.853 -2.964 0.178 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.361 -2.848 -0.761 1.00 0.00 H new ATOM 54 N PHE A 4 3.151 -7.092 1.686 1.00 0.00 N ATOM 55 CA PHE A 4 1.813 -7.597 1.924 1.00 0.00 C ATOM 56 C PHE A 4 0.902 -6.466 2.376 1.00 0.00 C ATOM 57 O PHE A 4 1.018 -5.978 3.498 1.00 0.00 O ATOM 58 CB PHE A 4 1.867 -8.711 2.966 1.00 0.00 C ATOM 59 CG PHE A 4 2.602 -9.940 2.485 1.00 0.00 C ATOM 60 CD1 PHE A 4 1.913 -10.941 1.789 1.00 0.00 C ATOM 61 CD2 PHE A 4 3.975 -10.077 2.731 1.00 0.00 C ATOM 62 CE1 PHE A 4 2.596 -12.077 1.336 1.00 0.00 C ATOM 63 CE2 PHE A 4 4.657 -11.213 2.278 1.00 0.00 C ATOM 64 CZ PHE A 4 3.969 -12.212 1.579 1.00 0.00 C ATOM 0 H PHE A 4 3.520 -6.504 2.433 1.00 0.00 H new ATOM 0 HA PHE A 4 1.406 -8.007 1.000 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.352 -8.334 3.866 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.850 -8.989 3.244 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.855 -10.837 1.601 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.507 -9.307 3.270 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.064 -12.849 0.799 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.715 -11.319 2.468 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.497 -13.086 1.227 1.00 0.00 H new ATOM 74 N VAL A 5 -0.014 -6.058 1.496 1.00 0.00 N ATOM 75 CA VAL A 5 -0.968 -5.008 1.791 1.00 0.00 C ATOM 76 C VAL A 5 -2.257 -5.644 2.288 1.00 0.00 C ATOM 77 O VAL A 5 -2.882 -6.421 1.571 1.00 0.00 O ATOM 78 CB VAL A 5 -1.224 -4.195 0.521 1.00 0.00 C ATOM 79 CG1 VAL A 5 -2.321 -3.164 0.776 1.00 0.00 C ATOM 80 CG2 VAL A 5 0.059 -3.478 0.105 1.00 0.00 C ATOM 0 H VAL A 5 -0.109 -6.452 0.560 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.580 -4.342 2.561 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.541 -4.868 -0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.498 -2.589 -0.133 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.239 -3.674 1.067 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.010 -2.492 1.576 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.125 -2.899 -0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.378 -2.810 0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.841 -4.213 -0.087 1.00 0.00 H new ATOM 90 N LYS A 6 -2.658 -5.316 3.518 1.00 0.00 N ATOM 91 CA LYS A 6 -3.850 -5.893 4.107 1.00 0.00 C ATOM 92 C LYS A 6 -4.976 -4.872 4.089 1.00 0.00 C ATOM 93 O LYS A 6 -4.900 -3.845 4.762 1.00 0.00 O ATOM 94 CB LYS A 6 -3.539 -6.347 5.531 1.00 0.00 C ATOM 95 CG LYS A 6 -4.768 -7.013 6.143 1.00 0.00 C ATOM 96 CD LYS A 6 -4.424 -7.510 7.543 1.00 0.00 C ATOM 97 CE LYS A 6 -5.655 -8.146 8.181 1.00 0.00 C ATOM 98 NZ LYS A 6 -5.346 -8.647 9.529 1.00 0.00 N ATOM 0 H LYS A 6 -2.169 -4.653 4.119 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.170 -6.760 3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.701 -7.045 5.525 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.238 -5.493 6.137 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.595 -6.305 6.189 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.094 -7.845 5.519 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.613 -8.236 7.492 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.072 -6.681 8.157 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.461 -7.414 8.236 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.011 -8.965 7.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.198 -9.075 9.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.593 -9.362 9.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.028 -7.858 10.128 1.00 0.00 H new ATOM 112 N THR A 7 -6.003 -5.140 3.280 1.00 0.00 N ATOM 113 CA THR A 7 -7.146 -4.256 3.157 1.00 0.00 C ATOM 114 C THR A 7 -7.943 -4.259 4.456 1.00 0.00 C ATOM 115 O THR A 7 -7.705 -5.086 5.334 1.00 0.00 O ATOM 116 CB THR A 7 -8.019 -4.730 1.998 1.00 0.00 C ATOM 117 OG1 THR A 7 -8.403 -6.065 2.228 1.00 0.00 O ATOM 118 CG2 THR A 7 -7.242 -4.648 0.686 1.00 0.00 C ATOM 0 H THR A 7 -6.058 -5.975 2.697 1.00 0.00 H new ATOM 0 HA THR A 7 -6.808 -3.239 2.961 1.00 0.00 H new ATOM 0 HB THR A 7 -8.901 -4.093 1.929 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.355 -6.172 2.022 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.875 -4.989 -0.134 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.939 -3.616 0.506 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.356 -5.280 0.748 1.00 0.00 H new ATOM 126 N ALA A 8 -8.933 -3.368 4.550 1.00 0.00 N ATOM 127 CA ALA A 8 -9.788 -3.286 5.719 1.00 0.00 C ATOM 128 C ALA A 8 -10.747 -4.472 5.760 1.00 0.00 C ATOM 129 O ALA A 8 -11.476 -4.643 6.735 1.00 0.00 O ATOM 130 CB ALA A 8 -10.566 -1.973 5.682 1.00 0.00 C ATOM 0 H ALA A 8 -9.157 -2.692 3.820 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.173 -3.315 6.619 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.210 -1.907 6.559 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.868 -1.136 5.681 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.177 -1.937 4.780 1.00 0.00 H new ATOM 136 N THR A 9 -10.762 -5.283 4.697 1.00 0.00 N ATOM 137 CA THR A 9 -11.615 -6.457 4.639 1.00 0.00 C ATOM 138 C THR A 9 -10.860 -7.669 5.174 1.00 0.00 C ATOM 139 O THR A 9 -11.418 -8.761 5.257 1.00 0.00 O ATOM 140 CB THR A 9 -12.067 -6.693 3.198 1.00 0.00 C ATOM 141 OG1 THR A 9 -10.940 -6.850 2.366 1.00 0.00 O ATOM 142 CG2 THR A 9 -12.889 -5.501 2.714 1.00 0.00 C ATOM 0 H THR A 9 -10.188 -5.140 3.866 1.00 0.00 H new ATOM 0 HA THR A 9 -12.498 -6.299 5.258 1.00 0.00 H new ATOM 0 HB THR A 9 -12.677 -7.595 3.159 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.233 -7.002 1.443 1.00 0.00 H new ATOM 0 HG21 THR A 9 -13.209 -5.673 1.686 1.00 0.00 H new ATOM 0 HG22 THR A 9 -13.765 -5.380 3.352 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.281 -4.598 2.758 1.00 0.00 H new ATOM 150 N GLY A 10 -9.593 -7.471 5.550 1.00 0.00 N ATOM 151 CA GLY A 10 -8.777 -8.528 6.116 1.00 0.00 C ATOM 152 C GLY A 10 -8.093 -9.340 5.021 1.00 0.00 C ATOM 153 O GLY A 10 -7.342 -10.266 5.321 1.00 0.00 O ATOM 0 H GLY A 10 -9.114 -6.574 5.468 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.025 -8.097 6.777 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.398 -9.184 6.725 1.00 0.00 H new ATOM 157 N LYS A 11 -8.371 -9.022 3.754 1.00 0.00 N ATOM 158 CA LYS A 11 -7.752 -9.728 2.648 1.00 0.00 C ATOM 159 C LYS A 11 -6.349 -9.187 2.408 1.00 0.00 C ATOM 160 O LYS A 11 -6.183 -8.058 1.952 1.00 0.00 O ATOM 161 CB LYS A 11 -8.605 -9.583 1.389 1.00 0.00 C ATOM 162 CG LYS A 11 -9.915 -10.346 1.566 1.00 0.00 C ATOM 163 CD LYS A 11 -10.643 -10.428 0.226 1.00 0.00 C ATOM 164 CE LYS A 11 -11.924 -11.240 0.394 1.00 0.00 C ATOM 165 NZ LYS A 11 -12.615 -11.411 -0.894 1.00 0.00 N ATOM 0 H LYS A 11 -9.018 -8.283 3.478 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.680 -10.787 2.896 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.809 -8.530 1.196 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.063 -9.967 0.525 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.716 -11.348 1.945 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.543 -9.845 2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.879 -9.427 -0.134 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.000 -10.893 -0.522 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.687 -12.217 0.815 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.585 -10.740 1.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.483 -11.967 -0.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.861 -10.478 -1.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.990 -11.909 -1.560 1.00 0.00 H new ATOM 179 N THR A 12 -5.337 -10.001 2.716 1.00 0.00 N ATOM 180 CA THR A 12 -3.955 -9.636 2.481 1.00 0.00 C ATOM 181 C THR A 12 -3.641 -9.782 0.997 1.00 0.00 C ATOM 182 O THR A 12 -4.099 -10.726 0.354 1.00 0.00 O ATOM 183 CB THR A 12 -3.052 -10.535 3.324 1.00 0.00 C ATOM 184 OG1 THR A 12 -3.541 -10.567 4.646 1.00 0.00 O ATOM 185 CG2 THR A 12 -1.623 -9.997 3.319 1.00 0.00 C ATOM 0 H THR A 12 -5.460 -10.924 3.132 1.00 0.00 H new ATOM 0 HA THR A 12 -3.781 -8.599 2.769 1.00 0.00 H new ATOM 0 HB THR A 12 -3.050 -11.541 2.905 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.968 -11.144 5.193 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.988 -10.645 3.923 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.247 -9.972 2.296 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.612 -8.989 3.735 1.00 0.00 H new ATOM 193 N ILE A 13 -2.874 -8.836 0.449 1.00 0.00 N ATOM 194 CA ILE A 13 -2.543 -8.828 -0.963 1.00 0.00 C ATOM 195 C ILE A 13 -1.037 -8.698 -1.147 1.00 0.00 C ATOM 196 O ILE A 13 -0.454 -7.669 -0.808 1.00 0.00 O ATOM 197 CB ILE A 13 -3.277 -7.680 -1.658 1.00 0.00 C ATOM 198 CG1 ILE A 13 -4.768 -7.731 -1.312 1.00 0.00 C ATOM 199 CG2 ILE A 13 -3.077 -7.806 -3.169 1.00 0.00 C ATOM 200 CD1 ILE A 13 -5.505 -6.553 -1.948 1.00 0.00 C ATOM 0 H ILE A 13 -2.471 -8.061 0.976 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.861 -9.768 -1.414 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.877 -6.725 -1.319 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.197 -8.669 -1.664 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.897 -7.707 -0.230 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.597 -6.992 -3.674 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.013 -7.756 -3.401 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.479 -8.760 -3.511 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.563 -6.605 -1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.087 -5.618 -1.575 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.391 -6.595 -3.031 1.00 0.00 H new ATOM 212 N THR A 14 -0.410 -9.738 -1.700 1.00 0.00 N ATOM 213 CA THR A 14 1.009 -9.714 -1.997 1.00 0.00 C ATOM 214 C THR A 14 1.253 -8.733 -3.137 1.00 0.00 C ATOM 215 O THR A 14 0.672 -8.879 -4.211 1.00 0.00 O ATOM 216 CB THR A 14 1.465 -11.119 -2.386 1.00 0.00 C ATOM 217 OG1 THR A 14 1.041 -12.037 -1.404 1.00 0.00 O ATOM 218 CG2 THR A 14 2.988 -11.157 -2.495 1.00 0.00 C ATOM 0 H THR A 14 -0.874 -10.611 -1.950 1.00 0.00 H new ATOM 0 HA THR A 14 1.578 -9.394 -1.124 1.00 0.00 H new ATOM 0 HB THR A 14 1.030 -11.386 -3.349 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.584 -11.926 -0.596 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.308 -12.161 -2.773 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.316 -10.448 -3.255 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.428 -10.888 -1.535 1.00 0.00 H new ATOM 226 N LEU A 15 2.062 -7.699 -2.887 1.00 0.00 N ATOM 227 CA LEU A 15 2.302 -6.660 -3.873 1.00 0.00 C ATOM 228 C LEU A 15 3.790 -6.571 -4.195 1.00 0.00 C ATOM 229 O LEU A 15 4.627 -6.973 -3.388 1.00 0.00 O ATOM 230 CB LEU A 15 1.773 -5.332 -3.327 1.00 0.00 C ATOM 231 CG LEU A 15 1.414 -4.368 -4.458 1.00 0.00 C ATOM 232 CD1 LEU A 15 0.193 -4.882 -5.220 1.00 0.00 C ATOM 233 CD2 LEU A 15 1.089 -3.002 -3.858 1.00 0.00 C ATOM 0 H LEU A 15 2.559 -7.566 -2.006 1.00 0.00 H new ATOM 0 HA LEU A 15 1.780 -6.897 -4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.893 -5.515 -2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.525 -4.876 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 15 2.256 -4.290 -5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.054 -4.188 -6.023 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.414 -5.862 -5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.654 -4.964 -4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.831 -2.306 -4.656 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.246 -3.097 -3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.957 -2.627 -3.316 1.00 0.00 H new ATOM 245 N GLU A 16 4.117 -6.034 -5.373 1.00 0.00 N ATOM 246 CA GLU A 16 5.494 -5.896 -5.811 1.00 0.00 C ATOM 247 C GLU A 16 5.693 -4.528 -6.455 1.00 0.00 C ATOM 248 O GLU A 16 5.156 -4.267 -7.530 1.00 0.00 O ATOM 249 CB GLU A 16 5.822 -7.019 -6.793 1.00 0.00 C ATOM 250 CG GLU A 16 7.321 -7.030 -7.092 1.00 0.00 C ATOM 251 CD GLU A 16 7.677 -8.135 -8.080 1.00 0.00 C ATOM 252 OE1 GLU A 16 6.761 -8.562 -8.815 1.00 0.00 O ATOM 253 OE2 GLU A 16 8.888 -8.429 -8.183 1.00 0.00 O ATOM 0 H GLU A 16 3.431 -5.686 -6.043 1.00 0.00 H new ATOM 0 HA GLU A 16 6.168 -5.971 -4.958 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.519 -7.979 -6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.259 -6.882 -7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.621 -6.064 -7.499 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.878 -7.173 -6.166 1.00 0.00 H new ATOM 260 N VAL A 17 6.460 -3.651 -5.801 1.00 0.00 N ATOM 261 CA VAL A 17 6.708 -2.317 -6.324 1.00 0.00 C ATOM 262 C VAL A 17 8.205 -2.039 -6.373 1.00 0.00 C ATOM 263 O VAL A 17 8.981 -2.675 -5.661 1.00 0.00 O ATOM 264 CB VAL A 17 5.992 -1.282 -5.453 1.00 0.00 C ATOM 265 CG1 VAL A 17 4.481 -1.489 -5.536 1.00 0.00 C ATOM 266 CG2 VAL A 17 6.440 -1.418 -3.998 1.00 0.00 C ATOM 0 H VAL A 17 6.917 -3.846 -4.910 1.00 0.00 H new ATOM 0 HA VAL A 17 6.318 -2.251 -7.340 1.00 0.00 H new ATOM 0 HB VAL A 17 6.245 -0.286 -5.816 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.978 -0.749 -4.914 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.155 -1.376 -6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.231 -2.490 -5.184 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.924 -0.677 -3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.200 -2.417 -3.635 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.516 -1.257 -3.932 1.00 0.00 H new ATOM 276 N GLU A 18 8.599 -1.045 -7.173 1.00 0.00 N ATOM 277 CA GLU A 18 9.991 -0.658 -7.301 1.00 0.00 C ATOM 278 C GLU A 18 10.383 0.215 -6.114 1.00 0.00 C ATOM 279 O GLU A 18 9.624 1.098 -5.721 1.00 0.00 O ATOM 280 CB GLU A 18 10.184 0.110 -8.607 1.00 0.00 C ATOM 281 CG GLU A 18 10.105 -0.837 -9.806 1.00 0.00 C ATOM 282 CD GLU A 18 8.772 -1.575 -9.857 1.00 0.00 C ATOM 283 OE1 GLU A 18 8.817 -2.824 -9.899 1.00 0.00 O ATOM 284 OE2 GLU A 18 7.731 -0.882 -9.886 1.00 0.00 O ATOM 0 H GLU A 18 7.959 -0.493 -7.744 1.00 0.00 H new ATOM 0 HA GLU A 18 10.624 -1.546 -7.314 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.421 0.883 -8.697 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.150 0.615 -8.599 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.242 -0.270 -10.727 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.919 -1.560 -9.753 1.00 0.00 H new ATOM 291 N PRO A 19 11.605 0.037 -5.600 1.00 0.00 N ATOM 292 CA PRO A 19 12.100 0.753 -4.443 1.00 0.00 C ATOM 293 C PRO A 19 12.105 2.267 -4.636 1.00 0.00 C ATOM 294 O PRO A 19 12.070 3.005 -3.655 1.00 0.00 O ATOM 295 CB PRO A 19 13.525 0.245 -4.221 1.00 0.00 C ATOM 296 CG PRO A 19 13.559 -1.118 -4.909 1.00 0.00 C ATOM 297 CD PRO A 19 12.518 -1.004 -6.020 1.00 0.00 C ATOM 0 HA PRO A 19 11.449 0.572 -3.587 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.260 0.925 -4.652 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.754 0.159 -3.159 1.00 0.00 H new ATOM 0 HG2 PRO A 19 14.548 -1.336 -5.311 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.313 -1.921 -4.214 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.987 -0.752 -6.971 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.994 -1.949 -6.163 1.00 0.00 H new ATOM 305 N SER A 20 12.139 2.740 -5.886 1.00 0.00 N ATOM 306 CA SER A 20 12.337 4.158 -6.145 1.00 0.00 C ATOM 307 C SER A 20 11.174 4.764 -6.924 1.00 0.00 C ATOM 308 O SER A 20 11.305 5.860 -7.467 1.00 0.00 O ATOM 309 CB SER A 20 13.650 4.348 -6.900 1.00 0.00 C ATOM 310 OG SER A 20 14.713 3.800 -6.149 1.00 0.00 O ATOM 0 H SER A 20 12.033 2.164 -6.721 1.00 0.00 H new ATOM 0 HA SER A 20 12.381 4.681 -5.190 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.593 3.864 -7.875 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.827 5.408 -7.080 1.00 0.00 H new ATOM 0 HG SER A 20 15.555 3.922 -6.636 1.00 0.00 H new ATOM 316 N ASP A 21 10.056 4.043 -7.032 1.00 0.00 N ATOM 317 CA ASP A 21 8.906 4.551 -7.765 1.00 0.00 C ATOM 318 C ASP A 21 7.977 5.315 -6.827 1.00 0.00 C ATOM 319 O ASP A 21 6.918 5.774 -7.247 1.00 0.00 O ATOM 320 CB ASP A 21 8.163 3.402 -8.446 1.00 0.00 C ATOM 321 CG ASP A 21 8.748 3.113 -9.823 1.00 0.00 C ATOM 322 OD1 ASP A 21 7.993 2.566 -10.657 1.00 0.00 O ATOM 323 OD2 ASP A 21 9.928 3.470 -10.032 1.00 0.00 O ATOM 0 H ASP A 21 9.928 3.117 -6.625 1.00 0.00 H new ATOM 0 HA ASP A 21 9.255 5.238 -8.536 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.223 2.507 -7.826 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.107 3.653 -8.541 1.00 0.00 H new ATOM 328 N THR A 22 8.367 5.433 -5.554 1.00 0.00 N ATOM 329 CA THR A 22 7.631 6.194 -4.556 1.00 0.00 C ATOM 330 C THR A 22 6.396 5.427 -4.089 1.00 0.00 C ATOM 331 O THR A 22 5.914 4.532 -4.780 1.00 0.00 O ATOM 332 CB THR A 22 7.262 7.567 -5.130 1.00 0.00 C ATOM 333 OG1 THR A 22 8.419 8.179 -5.655 1.00 0.00 O ATOM 334 CG2 THR A 22 6.680 8.466 -4.044 1.00 0.00 C ATOM 0 H THR A 22 9.213 4.995 -5.190 1.00 0.00 H new ATOM 0 HA THR A 22 8.262 6.345 -3.680 1.00 0.00 H new ATOM 0 HB THR A 22 6.517 7.427 -5.913 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.186 9.056 -6.024 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.425 9.435 -4.472 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.783 8.004 -3.631 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.416 8.602 -3.251 1.00 0.00 H new ATOM 342 N ILE A 23 5.870 5.808 -2.921 1.00 0.00 N ATOM 343 CA ILE A 23 4.683 5.203 -2.336 1.00 0.00 C ATOM 344 C ILE A 23 3.527 5.210 -3.331 1.00 0.00 C ATOM 345 O ILE A 23 2.641 4.363 -3.251 1.00 0.00 O ATOM 346 CB ILE A 23 4.311 5.972 -1.063 1.00 0.00 C ATOM 347 CG1 ILE A 23 5.361 5.735 0.028 1.00 0.00 C ATOM 348 CG2 ILE A 23 2.936 5.535 -0.559 1.00 0.00 C ATOM 349 CD1 ILE A 23 5.307 4.298 0.547 1.00 0.00 C ATOM 0 H ILE A 23 6.267 6.556 -2.352 1.00 0.00 H new ATOM 0 HA ILE A 23 4.891 4.163 -2.083 1.00 0.00 H new ATOM 0 HB ILE A 23 4.279 7.035 -1.301 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.355 5.944 -0.369 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.195 6.428 0.852 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.687 6.090 0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.187 5.735 -1.326 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.952 4.468 -0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.064 4.162 1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.321 4.099 0.966 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.498 3.607 -0.274 1.00 0.00 H new ATOM 361 N GLU A 24 3.522 6.168 -4.260 1.00 0.00 N ATOM 362 CA GLU A 24 2.449 6.272 -5.230 1.00 0.00 C ATOM 363 C GLU A 24 2.288 4.958 -5.987 1.00 0.00 C ATOM 364 O GLU A 24 1.175 4.588 -6.354 1.00 0.00 O ATOM 365 CB GLU A 24 2.749 7.414 -6.199 1.00 0.00 C ATOM 366 CG GLU A 24 1.595 7.558 -7.188 1.00 0.00 C ATOM 367 CD GLU A 24 1.871 8.667 -8.193 1.00 0.00 C ATOM 368 OE1 GLU A 24 1.945 9.832 -7.746 1.00 0.00 O ATOM 369 OE2 GLU A 24 1.868 8.347 -9.401 1.00 0.00 O ATOM 0 H GLU A 24 4.249 6.877 -4.355 1.00 0.00 H new ATOM 0 HA GLU A 24 1.514 6.481 -4.710 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.889 8.345 -5.649 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.678 7.217 -6.734 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.443 6.616 -7.714 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.673 7.774 -6.648 1.00 0.00 H new ATOM 376 N ASN A 25 3.389 4.227 -6.179 1.00 0.00 N ATOM 377 CA ASN A 25 3.357 2.986 -6.929 1.00 0.00 C ATOM 378 C ASN A 25 2.549 1.935 -6.178 1.00 0.00 C ATOM 379 O ASN A 25 1.905 1.090 -6.795 1.00 0.00 O ATOM 380 CB ASN A 25 4.786 2.500 -7.146 1.00 0.00 C ATOM 381 CG ASN A 25 4.852 1.397 -8.194 1.00 0.00 C ATOM 382 OD1 ASN A 25 3.852 1.075 -8.831 1.00 0.00 O ATOM 383 ND2 ASN A 25 6.044 0.829 -8.383 1.00 0.00 N ATOM 0 H ASN A 25 4.310 4.480 -5.822 1.00 0.00 H new ATOM 0 HA ASN A 25 2.880 3.156 -7.894 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.412 3.336 -7.458 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.192 2.132 -6.204 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.154 0.094 -9.081 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.846 1.130 -7.829 1.00 0.00 H new ATOM 390 N VAL A 26 2.544 2.009 -4.845 1.00 0.00 N ATOM 391 CA VAL A 26 1.799 1.057 -4.045 1.00 0.00 C ATOM 392 C VAL A 26 0.311 1.245 -4.303 1.00 0.00 C ATOM 393 O VAL A 26 -0.445 0.277 -4.313 1.00 0.00 O ATOM 394 CB VAL A 26 2.127 1.266 -2.565 1.00 0.00 C ATOM 395 CG1 VAL A 26 1.360 0.258 -1.711 1.00 0.00 C ATOM 396 CG2 VAL A 26 3.626 1.078 -2.337 1.00 0.00 C ATOM 0 H VAL A 26 3.046 2.716 -4.308 1.00 0.00 H new ATOM 0 HA VAL A 26 2.076 0.039 -4.318 1.00 0.00 H new ATOM 0 HB VAL A 26 1.836 2.277 -2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.600 0.415 -0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.289 0.393 -1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.643 -0.754 -2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.855 1.228 -1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.915 0.069 -2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.179 1.803 -2.935 1.00 0.00 H new ATOM 406 N LYS A 27 -0.101 2.486 -4.575 1.00 0.00 N ATOM 407 CA LYS A 27 -1.489 2.772 -4.888 1.00 0.00 C ATOM 408 C LYS A 27 -1.769 2.465 -6.354 1.00 0.00 C ATOM 409 O LYS A 27 -2.890 2.105 -6.707 1.00 0.00 O ATOM 410 CB LYS A 27 -1.789 4.242 -4.596 1.00 0.00 C ATOM 411 CG LYS A 27 -1.628 4.521 -3.102 1.00 0.00 C ATOM 412 CD LYS A 27 -2.049 5.955 -2.785 1.00 0.00 C ATOM 413 CE LYS A 27 -1.137 6.942 -3.510 1.00 0.00 C ATOM 414 NZ LYS A 27 -1.501 8.331 -3.188 1.00 0.00 N ATOM 0 H LYS A 27 0.511 3.302 -4.583 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.131 2.145 -4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.115 4.880 -5.168 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.803 4.485 -4.913 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.233 3.821 -2.526 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.591 4.365 -2.805 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.084 6.114 -3.088 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.002 6.127 -1.710 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.100 6.759 -3.228 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.207 6.784 -4.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.867 8.982 -3.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.483 8.509 -3.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.411 8.485 -2.163 1.00 0.00 H new ATOM 428 N ALA A 28 -0.747 2.589 -7.206 1.00 0.00 N ATOM 429 CA ALA A 28 -0.917 2.396 -8.634 1.00 0.00 C ATOM 430 C ALA A 28 -1.124 0.922 -8.961 1.00 0.00 C ATOM 431 O ALA A 28 -1.882 0.593 -9.870 1.00 0.00 O ATOM 432 CB ALA A 28 0.314 2.927 -9.362 1.00 0.00 C ATOM 0 H ALA A 28 0.205 2.823 -6.923 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.802 2.942 -8.962 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.191 2.784 -10.436 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.433 3.989 -9.148 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.198 2.387 -9.023 1.00 0.00 H new ATOM 438 N LYS A 29 -0.472 0.029 -8.211 1.00 0.00 N ATOM 439 CA LYS A 29 -0.599 -1.394 -8.467 1.00 0.00 C ATOM 440 C LYS A 29 -1.935 -1.900 -7.942 1.00 0.00 C ATOM 441 O LYS A 29 -2.535 -2.790 -8.539 1.00 0.00 O ATOM 442 CB LYS A 29 0.548 -2.143 -7.791 1.00 0.00 C ATOM 443 CG LYS A 29 1.894 -1.752 -8.401 1.00 0.00 C ATOM 444 CD LYS A 29 1.999 -2.256 -9.839 1.00 0.00 C ATOM 445 CE LYS A 29 3.385 -1.921 -10.387 1.00 0.00 C ATOM 446 NZ LYS A 29 3.549 -2.420 -11.762 1.00 0.00 N ATOM 0 H LYS A 29 0.141 0.270 -7.432 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.555 -1.570 -9.542 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.551 -1.923 -6.723 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.396 -3.217 -7.895 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.008 -0.668 -8.381 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.705 -2.169 -7.804 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.831 -3.333 -9.873 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.229 -1.794 -10.456 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.535 -0.842 -10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.149 -2.360 -9.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.499 -2.178 -12.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.429 -3.453 -11.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.834 -1.982 -12.378 1.00 0.00 H new ATOM 460 N ILE A 30 -2.430 -1.302 -6.855 1.00 0.00 N ATOM 461 CA ILE A 30 -3.698 -1.711 -6.279 1.00 0.00 C ATOM 462 C ILE A 30 -4.839 -1.178 -7.134 1.00 0.00 C ATOM 463 O ILE A 30 -5.922 -1.760 -7.159 1.00 0.00 O ATOM 464 CB ILE A 30 -3.793 -1.184 -4.846 1.00 0.00 C ATOM 465 CG1 ILE A 30 -2.730 -1.881 -3.994 1.00 0.00 C ATOM 466 CG2 ILE A 30 -5.183 -1.461 -4.271 1.00 0.00 C ATOM 467 CD1 ILE A 30 -2.644 -1.227 -2.618 1.00 0.00 C ATOM 0 H ILE A 30 -1.968 -0.537 -6.363 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.767 -2.799 -6.255 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.626 -0.107 -4.842 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.975 -2.938 -3.888 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.762 -1.826 -4.492 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.237 -1.081 -3.251 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.936 -0.965 -4.884 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.368 -2.535 -4.268 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.884 -1.732 -2.022 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.377 -0.176 -2.731 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.609 -1.305 -2.117 1.00 0.00 H new ATOM 479 N GLN A 31 -4.575 -0.110 -7.890 1.00 0.00 N ATOM 480 CA GLN A 31 -5.566 0.457 -8.782 1.00 0.00 C ATOM 481 C GLN A 31 -5.906 -0.556 -9.867 1.00 0.00 C ATOM 482 O GLN A 31 -7.067 -0.703 -10.240 1.00 0.00 O ATOM 483 CB GLN A 31 -5.007 1.742 -9.393 1.00 0.00 C ATOM 484 CG GLN A 31 -6.048 2.411 -10.289 1.00 0.00 C ATOM 485 CD GLN A 31 -5.474 3.669 -10.928 1.00 0.00 C ATOM 486 OE1 GLN A 31 -5.987 4.766 -10.721 1.00 0.00 O ATOM 487 NE2 GLN A 31 -4.378 3.514 -11.672 1.00 0.00 N ATOM 0 H GLN A 31 -3.678 0.375 -7.896 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.478 0.695 -8.234 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.708 2.427 -8.600 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.112 1.516 -9.973 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.369 1.716 -11.065 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.931 2.664 -9.703 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.987 2.583 -11.817 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.931 4.326 -12.096 1.00 0.00 H new ATOM 496 N ASP A 32 -4.883 -1.234 -10.395 1.00 0.00 N ATOM 497 CA ASP A 32 -5.070 -2.231 -11.433 1.00 0.00 C ATOM 498 C ASP A 32 -5.455 -3.580 -10.836 1.00 0.00 C ATOM 499 O ASP A 32 -6.138 -4.371 -11.484 1.00 0.00 O ATOM 500 CB ASP A 32 -3.773 -2.367 -12.227 1.00 0.00 C ATOM 501 CG ASP A 32 -3.914 -3.399 -13.339 1.00 0.00 C ATOM 502 OD1 ASP A 32 -3.139 -4.380 -13.305 1.00 0.00 O ATOM 503 OD2 ASP A 32 -4.743 -3.152 -14.242 1.00 0.00 O ATOM 0 H ASP A 32 -3.912 -1.103 -10.112 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.880 -1.911 -12.088 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.503 -1.402 -12.655 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.963 -2.657 -11.558 1.00 0.00 H new ATOM 508 N LYS A 33 -4.997 -3.858 -9.612 1.00 0.00 N ATOM 509 CA LYS A 33 -5.186 -5.163 -9.005 1.00 0.00 C ATOM 510 C LYS A 33 -6.559 -5.267 -8.349 1.00 0.00 C ATOM 511 O LYS A 33 -7.360 -6.121 -8.723 1.00 0.00 O ATOM 512 CB LYS A 33 -4.081 -5.399 -7.976 1.00 0.00 C ATOM 513 CG LYS A 33 -4.040 -6.869 -7.561 1.00 0.00 C ATOM 514 CD LYS A 33 -3.472 -7.710 -8.703 1.00 0.00 C ATOM 515 CE LYS A 33 -3.412 -9.176 -8.281 1.00 0.00 C ATOM 516 NZ LYS A 33 -2.810 -10.003 -9.339 1.00 0.00 N ATOM 0 H LYS A 33 -4.493 -3.191 -9.028 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.133 -5.928 -9.780 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.118 -5.106 -8.394 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.252 -4.773 -7.100 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.426 -6.988 -6.668 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.042 -7.213 -7.306 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.094 -7.602 -9.591 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.475 -7.356 -8.967 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.830 -9.271 -7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.417 -9.536 -8.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.780 -10.995 -9.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.381 -9.928 -10.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.843 -9.671 -9.531 1.00 0.00 H new ATOM 530 N GLU A 34 -6.814 -4.432 -7.338 1.00 0.00 N ATOM 531 CA GLU A 34 -8.063 -4.480 -6.598 1.00 0.00 C ATOM 532 C GLU A 34 -9.112 -3.614 -7.286 1.00 0.00 C ATOM 533 O GLU A 34 -10.301 -3.721 -6.989 1.00 0.00 O ATOM 534 CB GLU A 34 -7.814 -3.998 -5.167 1.00 0.00 C ATOM 535 CG GLU A 34 -8.991 -4.348 -4.254 1.00 0.00 C ATOM 536 CD GLU A 34 -9.250 -5.850 -4.231 1.00 0.00 C ATOM 537 OE1 GLU A 34 -10.415 -6.230 -4.482 1.00 0.00 O ATOM 538 OE2 GLU A 34 -8.301 -6.586 -3.887 1.00 0.00 O ATOM 0 H GLU A 34 -6.164 -3.714 -7.018 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.437 -5.504 -6.569 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.902 -4.453 -4.780 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.657 -2.919 -5.166 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.786 -3.997 -3.243 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.886 -3.828 -4.596 1.00 0.00 H new ATOM 545 N GLY A 35 -8.674 -2.767 -8.220 1.00 0.00 N ATOM 546 CA GLY A 35 -9.573 -1.925 -8.986 1.00 0.00 C ATOM 547 C GLY A 35 -9.945 -0.662 -8.215 1.00 0.00 C ATOM 548 O GLY A 35 -10.639 0.199 -8.750 1.00 0.00 O ATOM 0 H GLY A 35 -7.689 -2.651 -8.460 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.102 -1.651 -9.930 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.477 -2.483 -9.231 1.00 0.00 H new ATOM 552 N ILE A 36 -9.512 -0.560 -6.954 1.00 0.00 N ATOM 553 CA ILE A 36 -9.823 0.595 -6.127 1.00 0.00 C ATOM 554 C ILE A 36 -8.955 1.780 -6.543 1.00 0.00 C ATOM 555 O ILE A 36 -7.738 1.741 -6.371 1.00 0.00 O ATOM 556 CB ILE A 36 -9.576 0.249 -4.657 1.00 0.00 C ATOM 557 CG1 ILE A 36 -10.421 -0.967 -4.271 1.00 0.00 C ATOM 558 CG2 ILE A 36 -9.953 1.445 -3.783 1.00 0.00 C ATOM 559 CD1 ILE A 36 -10.110 -1.403 -2.840 1.00 0.00 C ATOM 0 H ILE A 36 -8.944 -1.269 -6.489 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.870 0.866 -6.260 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.522 0.014 -4.507 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.480 -0.725 -4.362 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.222 -1.789 -4.959 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.778 1.200 -2.736 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.344 2.305 -4.061 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.007 1.684 -3.928 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.720 -2.269 -2.583 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.055 -1.666 -2.761 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.333 -0.586 -2.154 1.00 0.00 H new ATOM 571 N PRO A 37 -9.578 2.862 -7.028 1.00 0.00 N ATOM 572 CA PRO A 37 -8.880 4.061 -7.442 1.00 0.00 C ATOM 573 C PRO A 37 -8.174 4.714 -6.256 1.00 0.00 C ATOM 574 O PRO A 37 -8.545 4.478 -5.107 1.00 0.00 O ATOM 575 CB PRO A 37 -9.950 5.000 -8.004 1.00 0.00 C ATOM 576 CG PRO A 37 -11.176 4.117 -8.243 1.00 0.00 C ATOM 577 CD PRO A 37 -11.000 2.952 -7.273 1.00 0.00 C ATOM 0 HA PRO A 37 -8.114 3.834 -8.183 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.175 5.804 -7.303 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.616 5.468 -8.930 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.101 4.660 -8.048 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.221 3.771 -9.276 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.547 3.127 -6.347 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.384 2.025 -7.700 1.00 0.00 H new ATOM 585 N PRO A 38 -7.246 5.634 -6.539 1.00 0.00 N ATOM 586 CA PRO A 38 -6.543 6.409 -5.538 1.00 0.00 C ATOM 587 C PRO A 38 -7.517 7.253 -4.721 1.00 0.00 C ATOM 588 O PRO A 38 -8.692 7.358 -5.067 1.00 0.00 O ATOM 589 CB PRO A 38 -5.568 7.303 -6.306 1.00 0.00 C ATOM 590 CG PRO A 38 -5.432 6.642 -7.678 1.00 0.00 C ATOM 591 CD PRO A 38 -6.756 5.908 -7.871 1.00 0.00 C ATOM 0 HA PRO A 38 -6.021 5.763 -4.832 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.949 8.321 -6.393 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.605 7.365 -5.799 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.268 7.381 -8.462 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.587 5.954 -7.707 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.464 6.518 -8.431 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.614 4.986 -8.434 1.00 0.00 H new ATOM 599 N ASP A 39 -7.009 7.873 -3.651 1.00 0.00 N ATOM 600 CA ASP A 39 -7.764 8.775 -2.792 1.00 0.00 C ATOM 601 C ASP A 39 -8.730 8.010 -1.897 1.00 0.00 C ATOM 602 O ASP A 39 -8.763 8.237 -0.689 1.00 0.00 O ATOM 603 CB ASP A 39 -8.510 9.810 -3.633 1.00 0.00 C ATOM 604 CG ASP A 39 -9.037 10.932 -2.749 1.00 0.00 C ATOM 605 OD1 ASP A 39 -10.135 10.739 -2.181 1.00 0.00 O ATOM 606 OD2 ASP A 39 -8.275 11.904 -2.554 1.00 0.00 O ATOM 0 H ASP A 39 -6.040 7.755 -3.356 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.057 9.295 -2.145 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.844 10.219 -4.393 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.337 9.333 -4.158 1.00 0.00 H new ATOM 611 N GLN A 40 -9.502 7.091 -2.480 1.00 0.00 N ATOM 612 CA GLN A 40 -10.446 6.291 -1.723 1.00 0.00 C ATOM 613 C GLN A 40 -9.696 5.389 -0.751 1.00 0.00 C ATOM 614 O GLN A 40 -10.301 4.811 0.150 1.00 0.00 O ATOM 615 CB GLN A 40 -11.298 5.458 -2.678 1.00 0.00 C ATOM 616 CG GLN A 40 -12.267 6.364 -3.434 1.00 0.00 C ATOM 617 CD GLN A 40 -13.108 5.560 -4.417 1.00 0.00 C ATOM 618 OE1 GLN A 40 -13.503 4.434 -4.124 1.00 0.00 O ATOM 619 NE2 GLN A 40 -13.389 6.142 -5.584 1.00 0.00 N ATOM 0 H GLN A 40 -9.486 6.887 -3.479 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.102 6.948 -1.152 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.657 4.928 -3.383 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.852 4.703 -2.120 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.918 6.877 -2.727 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.710 7.133 -3.970 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -13.039 7.079 -5.784 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.954 5.650 -6.276 1.00 0.00 H new ATOM 628 N GLN A 41 -8.388 5.225 -0.968 1.00 0.00 N ATOM 629 CA GLN A 41 -7.561 4.399 -0.112 1.00 0.00 C ATOM 630 C GLN A 41 -6.492 5.248 0.571 1.00 0.00 C ATOM 631 O GLN A 41 -6.171 6.338 0.101 1.00 0.00 O ATOM 632 CB GLN A 41 -6.941 3.274 -0.941 1.00 0.00 C ATOM 633 CG GLN A 41 -5.962 3.853 -1.962 1.00 0.00 C ATOM 634 CD GLN A 41 -5.446 2.766 -2.895 1.00 0.00 C ATOM 635 OE1 GLN A 41 -4.481 2.076 -2.576 1.00 0.00 O ATOM 636 NE2 GLN A 41 -6.091 2.617 -4.053 1.00 0.00 N ATOM 0 H GLN A 41 -7.884 5.662 -1.739 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.173 3.953 0.672 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.424 2.572 -0.287 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.724 2.715 -1.453 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.455 4.633 -2.543 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.125 4.321 -1.444 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.888 3.214 -4.273 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.787 1.906 -4.718 1.00 0.00 H new ATOM 645 N ARG A 42 -5.914 4.727 1.657 1.00 0.00 N ATOM 646 CA ARG A 42 -4.854 5.411 2.380 1.00 0.00 C ATOM 647 C ARG A 42 -3.891 4.389 2.967 1.00 0.00 C ATOM 648 O ARG A 42 -4.313 3.337 3.442 1.00 0.00 O ATOM 649 CB ARG A 42 -5.459 6.285 3.476 1.00 0.00 C ATOM 650 CG ARG A 42 -5.169 7.752 3.163 1.00 0.00 C ATOM 651 CD ARG A 42 -5.886 8.653 4.164 1.00 0.00 C ATOM 652 NE ARG A 42 -7.333 8.638 3.936 1.00 0.00 N ATOM 653 CZ ARG A 42 -8.131 9.681 4.206 1.00 0.00 C ATOM 654 NH1 ARG A 42 -7.622 10.789 4.756 1.00 0.00 N ATOM 655 NH2 ARG A 42 -9.435 9.620 3.909 1.00 0.00 N ATOM 0 H ARG A 42 -6.171 3.823 2.053 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.299 6.053 1.696 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.535 6.119 3.538 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.039 6.017 4.445 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.095 7.935 3.202 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.496 7.988 2.150 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.670 8.320 5.179 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.510 9.672 4.076 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.754 7.792 3.553 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.626 10.841 4.970 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.230 11.582 4.961 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.821 8.780 3.478 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.042 10.413 4.114 1.00 0.00 H new ATOM 669 N LEU A 43 -2.597 4.715 2.951 1.00 0.00 N ATOM 670 CA LEU A 43 -1.555 3.801 3.380 1.00 0.00 C ATOM 671 C LEU A 43 -1.074 4.146 4.783 1.00 0.00 C ATOM 672 O LEU A 43 -1.199 5.283 5.233 1.00 0.00 O ATOM 673 CB LEU A 43 -0.382 3.892 2.403 1.00 0.00 C ATOM 674 CG LEU A 43 -0.652 3.049 1.157 1.00 0.00 C ATOM 675 CD1 LEU A 43 0.437 3.321 0.125 1.00 0.00 C ATOM 676 CD2 LEU A 43 -0.640 1.564 1.516 1.00 0.00 C ATOM 0 H LEU A 43 -2.250 5.622 2.639 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.958 2.788 3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.220 4.931 2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.531 3.549 2.890 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.629 3.312 0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.251 2.723 -0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.432 4.378 -0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.408 3.057 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.833 0.972 0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.334 1.296 1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.412 1.363 2.258 1.00 0.00 H new ATOM 688 N ALA A 44 -0.488 3.150 5.452 1.00 0.00 N ATOM 689 CA ALA A 44 0.128 3.303 6.754 1.00 0.00 C ATOM 690 C ALA A 44 1.069 2.124 6.983 1.00 0.00 C ATOM 691 O ALA A 44 1.005 1.133 6.259 1.00 0.00 O ATOM 692 CB ALA A 44 -0.954 3.342 7.832 1.00 0.00 C ATOM 0 H ALA A 44 -0.432 2.199 5.088 1.00 0.00 H new ATOM 0 HA ALA A 44 0.692 4.234 6.801 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.488 3.457 8.811 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.622 4.183 7.647 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.525 2.414 7.809 1.00 0.00 H new ATOM 698 N PHE A 45 1.912 2.210 8.014 1.00 0.00 N ATOM 699 CA PHE A 45 2.832 1.137 8.344 1.00 0.00 C ATOM 700 C PHE A 45 2.976 1.031 9.856 1.00 0.00 C ATOM 701 O PHE A 45 3.495 1.945 10.491 1.00 0.00 O ATOM 702 CB PHE A 45 4.184 1.393 7.680 1.00 0.00 C ATOM 703 CG PHE A 45 5.094 0.187 7.701 1.00 0.00 C ATOM 704 CD1 PHE A 45 5.653 -0.248 8.910 1.00 0.00 C ATOM 705 CD2 PHE A 45 5.345 -0.522 6.519 1.00 0.00 C ATOM 706 CE1 PHE A 45 6.465 -1.388 8.936 1.00 0.00 C ATOM 707 CE2 PHE A 45 6.151 -1.667 6.547 1.00 0.00 C ATOM 708 CZ PHE A 45 6.714 -2.099 7.755 1.00 0.00 C ATOM 0 H PHE A 45 1.971 3.019 8.633 1.00 0.00 H new ATOM 0 HA PHE A 45 2.441 0.191 7.970 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.022 1.700 6.647 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.679 2.222 8.185 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.457 0.296 9.822 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.917 -0.186 5.586 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.900 -1.720 9.867 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.339 -2.217 5.637 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.339 -2.979 7.776 1.00 0.00 H new ATOM 718 N ALA A 46 2.516 -0.084 10.431 1.00 0.00 N ATOM 719 CA ALA A 46 2.540 -0.283 11.870 1.00 0.00 C ATOM 720 C ALA A 46 1.843 0.873 12.584 1.00 0.00 C ATOM 721 O ALA A 46 2.038 1.074 13.780 1.00 0.00 O ATOM 722 CB ALA A 46 3.984 -0.444 12.343 1.00 0.00 C ATOM 0 H ALA A 46 2.120 -0.866 9.909 1.00 0.00 H new ATOM 0 HA ALA A 46 1.995 -1.194 12.116 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.999 -0.593 13.423 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.434 -1.307 11.851 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.551 0.453 12.093 1.00 0.00 H new ATOM 728 N GLY A 47 1.021 1.626 11.846 1.00 0.00 N ATOM 729 CA GLY A 47 0.258 2.728 12.402 1.00 0.00 C ATOM 730 C GLY A 47 0.878 4.068 12.022 1.00 0.00 C ATOM 731 O GLY A 47 0.247 5.109 12.187 1.00 0.00 O ATOM 0 H GLY A 47 0.872 1.482 10.847 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.769 2.683 12.040 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.218 2.636 13.487 1.00 0.00 H new ATOM 735 N LYS A 48 2.094 4.046 11.471 1.00 0.00 N ATOM 736 CA LYS A 48 2.757 5.265 11.048 1.00 0.00 C ATOM 737 C LYS A 48 2.168 5.725 9.722 1.00 0.00 C ATOM 738 O LYS A 48 1.882 4.905 8.852 1.00 0.00 O ATOM 739 CB LYS A 48 4.258 5.013 10.903 1.00 0.00 C ATOM 740 CG LYS A 48 4.825 4.476 12.216 1.00 0.00 C ATOM 741 CD LYS A 48 6.343 4.353 12.110 1.00 0.00 C ATOM 742 CE LYS A 48 6.905 3.843 13.435 1.00 0.00 C ATOM 743 NZ LYS A 48 8.376 3.803 13.407 1.00 0.00 N ATOM 0 H LYS A 48 2.633 3.195 11.311 1.00 0.00 H new ATOM 0 HA LYS A 48 2.604 6.044 11.795 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.440 4.299 10.100 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.766 5.938 10.629 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.561 5.143 13.037 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.387 3.504 12.442 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.608 3.670 11.303 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.781 5.321 11.865 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.571 4.488 14.247 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.515 2.846 13.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.731 3.453 14.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.692 3.168 12.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.746 4.760 13.236 1.00 0.00 H new ATOM 757 N GLN A 49 1.995 7.038 9.565 1.00 0.00 N ATOM 758 CA GLN A 49 1.474 7.599 8.333 1.00 0.00 C ATOM 759 C GLN A 49 2.551 7.551 7.256 1.00 0.00 C ATOM 760 O GLN A 49 3.718 7.818 7.536 1.00 0.00 O ATOM 761 CB GLN A 49 1.025 9.041 8.582 1.00 0.00 C ATOM 762 CG GLN A 49 2.187 9.878 9.123 1.00 0.00 C ATOM 763 CD GLN A 49 1.772 11.325 9.347 1.00 0.00 C ATOM 764 OE1 GLN A 49 2.433 12.242 8.867 1.00 0.00 O ATOM 765 NE2 GLN A 49 0.692 11.533 10.102 1.00 0.00 N ATOM 0 H GLN A 49 2.211 7.729 10.283 1.00 0.00 H new ATOM 0 HA GLN A 49 0.616 7.018 7.994 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.655 9.478 7.655 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.198 9.053 9.292 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.540 9.450 10.061 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.021 9.841 8.422 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.173 10.740 10.480 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.385 12.485 10.301 1.00 0.00 H new ATOM 774 N LEU A 50 2.159 7.230 6.020 1.00 0.00 N ATOM 775 CA LEU A 50 3.089 7.225 4.904 1.00 0.00 C ATOM 776 C LEU A 50 2.792 8.407 3.992 1.00 0.00 C ATOM 777 O LEU A 50 1.661 8.889 3.954 1.00 0.00 O ATOM 778 CB LEU A 50 2.975 5.907 4.140 1.00 0.00 C ATOM 779 CG LEU A 50 3.185 4.723 5.084 1.00 0.00 C ATOM 780 CD1 LEU A 50 3.200 3.433 4.265 1.00 0.00 C ATOM 781 CD2 LEU A 50 4.498 4.865 5.853 1.00 0.00 C ATOM 0 H LEU A 50 1.203 6.971 5.774 1.00 0.00 H new ATOM 0 HA LEU A 50 4.110 7.318 5.275 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.994 5.836 3.670 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.715 5.878 3.340 1.00 0.00 H new ATOM 0 HG LEU A 50 2.371 4.697 5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.349 2.582 4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.250 3.323 3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.011 3.473 3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.625 4.011 6.518 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.329 4.904 5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.478 5.782 6.441 1.00 0.00 H new ATOM 793 N GLU A 51 3.793 8.849 3.226 1.00 0.00 N ATOM 794 CA GLU A 51 3.628 9.973 2.324 1.00 0.00 C ATOM 795 C GLU A 51 4.404 9.714 1.036 1.00 0.00 C ATOM 796 O GLU A 51 5.350 8.929 1.027 1.00 0.00 O ATOM 797 CB GLU A 51 4.124 11.242 3.021 1.00 0.00 C ATOM 798 CG GLU A 51 3.799 12.481 2.188 1.00 0.00 C ATOM 799 CD GLU A 51 4.289 13.745 2.883 1.00 0.00 C ATOM 800 OE1 GLU A 51 5.289 14.314 2.390 1.00 0.00 O ATOM 801 OE2 GLU A 51 3.694 14.090 3.926 1.00 0.00 O ATOM 0 H GLU A 51 4.727 8.438 3.219 1.00 0.00 H new ATOM 0 HA GLU A 51 2.577 10.101 2.065 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.661 11.327 4.004 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.200 11.178 3.181 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.265 12.397 1.206 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.723 12.544 2.026 1.00 0.00 H new ATOM 808 N ASP A 52 3.986 10.359 -0.056 1.00 0.00 N ATOM 809 CA ASP A 52 4.646 10.226 -1.341 1.00 0.00 C ATOM 810 C ASP A 52 5.806 11.210 -1.439 1.00 0.00 C ATOM 811 O ASP A 52 5.909 12.136 -0.638 1.00 0.00 O ATOM 812 CB ASP A 52 3.639 10.476 -2.461 1.00 0.00 C ATOM 813 CG ASP A 52 3.037 11.870 -2.356 1.00 0.00 C ATOM 814 OD1 ASP A 52 2.035 11.998 -1.620 1.00 0.00 O ATOM 815 OD2 ASP A 52 3.529 12.759 -3.084 1.00 0.00 O ATOM 0 H ASP A 52 3.181 10.985 -0.066 1.00 0.00 H new ATOM 0 HA ASP A 52 5.043 9.215 -1.440 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.129 10.360 -3.428 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.846 9.730 -2.414 1.00 0.00 H new ATOM 820 N GLY A 53 6.687 10.995 -2.419 1.00 0.00 N ATOM 821 CA GLY A 53 7.813 11.876 -2.661 1.00 0.00 C ATOM 822 C GLY A 53 9.098 11.287 -2.095 1.00 0.00 C ATOM 823 O GLY A 53 10.156 11.902 -2.205 1.00 0.00 O ATOM 0 H GLY A 53 6.633 10.205 -3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.926 12.042 -3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.623 12.848 -2.206 1.00 0.00 H new ATOM 827 N ARG A 54 9.016 10.093 -1.501 1.00 0.00 N ATOM 828 CA ARG A 54 10.175 9.481 -0.880 1.00 0.00 C ATOM 829 C ARG A 54 10.257 8.001 -1.237 1.00 0.00 C ATOM 830 O ARG A 54 9.239 7.361 -1.493 1.00 0.00 O ATOM 831 CB ARG A 54 10.070 9.677 0.633 1.00 0.00 C ATOM 832 CG ARG A 54 11.264 9.052 1.348 1.00 0.00 C ATOM 833 CD ARG A 54 11.157 9.337 2.842 1.00 0.00 C ATOM 834 NE ARG A 54 12.234 8.672 3.577 1.00 0.00 N ATOM 835 CZ ARG A 54 12.523 8.932 4.858 1.00 0.00 C ATOM 836 NH1 ARG A 54 11.794 9.824 5.543 1.00 0.00 N ATOM 837 NH2 ARG A 54 13.520 8.275 5.463 1.00 0.00 N ATOM 0 H ARG A 54 8.161 9.540 -1.441 1.00 0.00 H new ATOM 0 HA ARG A 54 11.087 9.952 -1.246 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.020 10.741 0.863 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.147 9.228 0.999 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.287 7.977 1.171 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.194 9.460 0.953 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.202 10.412 3.016 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.191 8.994 3.214 1.00 0.00 H new ATOM 0 HE ARG A 54 12.794 7.974 3.087 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.018 10.305 5.088 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.015 10.021 6.519 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.058 7.578 4.948 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.742 8.472 6.439 1.00 0.00 H new ATOM 851 N THR A 55 11.474 7.451 -1.189 1.00 0.00 N ATOM 852 CA THR A 55 11.721 6.038 -1.410 1.00 0.00 C ATOM 853 C THR A 55 11.017 5.238 -0.320 1.00 0.00 C ATOM 854 O THR A 55 11.368 5.347 0.853 1.00 0.00 O ATOM 855 CB THR A 55 13.232 5.795 -1.372 1.00 0.00 C ATOM 856 OG1 THR A 55 13.859 6.563 -2.376 1.00 0.00 O ATOM 857 CG2 THR A 55 13.551 4.316 -1.577 1.00 0.00 C ATOM 0 H THR A 55 12.319 7.987 -0.993 1.00 0.00 H new ATOM 0 HA THR A 55 11.335 5.723 -2.380 1.00 0.00 H new ATOM 0 HB THR A 55 13.607 6.094 -0.393 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.826 6.408 -2.350 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.631 4.169 -1.546 1.00 0.00 H new ATOM 0 HG22 THR A 55 13.082 3.730 -0.787 1.00 0.00 H new ATOM 0 HG23 THR A 55 13.168 3.992 -2.545 1.00 0.00 H new ATOM 865 N LEU A 56 10.018 4.440 -0.703 1.00 0.00 N ATOM 866 CA LEU A 56 9.229 3.695 0.260 1.00 0.00 C ATOM 867 C LEU A 56 10.102 2.716 1.039 1.00 0.00 C ATOM 868 O LEU A 56 9.818 2.431 2.201 1.00 0.00 O ATOM 869 CB LEU A 56 8.088 2.968 -0.457 1.00 0.00 C ATOM 870 CG LEU A 56 8.607 1.941 -1.468 1.00 0.00 C ATOM 871 CD1 LEU A 56 8.745 0.566 -0.817 1.00 0.00 C ATOM 872 CD2 LEU A 56 7.595 1.827 -2.604 1.00 0.00 C ATOM 0 H LEU A 56 9.742 4.298 -1.675 1.00 0.00 H new ATOM 0 HA LEU A 56 8.800 4.393 0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.459 2.467 0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.460 3.696 -0.970 1.00 0.00 H new ATOM 0 HG LEU A 56 9.581 2.266 -1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.115 -0.149 -1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.446 0.626 0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.773 0.238 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.948 1.099 -3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.634 1.503 -2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.478 2.798 -3.086 1.00 0.00 H new ATOM 884 N SER A 57 11.180 2.227 0.418 1.00 0.00 N ATOM 885 CA SER A 57 12.041 1.246 1.054 1.00 0.00 C ATOM 886 C SER A 57 12.901 1.900 2.131 1.00 0.00 C ATOM 887 O SER A 57 13.334 1.230 3.066 1.00 0.00 O ATOM 888 CB SER A 57 12.922 0.589 -0.006 1.00 0.00 C ATOM 889 OG SER A 57 12.107 -0.013 -0.988 1.00 0.00 O ATOM 0 H SER A 57 11.470 2.498 -0.522 1.00 0.00 H new ATOM 0 HA SER A 57 11.424 0.487 1.534 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.573 1.333 -0.465 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.567 -0.159 0.455 1.00 0.00 H new ATOM 0 HG SER A 57 12.626 -0.686 -1.477 1.00 0.00 H new ATOM 895 N ASP A 58 13.131 3.212 2.019 1.00 0.00 N ATOM 896 CA ASP A 58 13.891 3.941 3.019 1.00 0.00 C ATOM 897 C ASP A 58 12.936 4.501 4.065 1.00 0.00 C ATOM 898 O ASP A 58 13.355 4.897 5.151 1.00 0.00 O ATOM 899 CB ASP A 58 14.668 5.070 2.343 1.00 0.00 C ATOM 900 CG ASP A 58 15.592 5.770 3.331 1.00 0.00 C ATOM 901 OD1 ASP A 58 15.149 6.788 3.906 1.00 0.00 O ATOM 902 OD2 ASP A 58 16.756 5.324 3.432 1.00 0.00 O ATOM 0 H ASP A 58 12.798 3.784 1.243 1.00 0.00 H new ATOM 0 HA ASP A 58 14.600 3.274 3.509 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.253 4.668 1.516 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.970 5.792 1.919 1.00 0.00 H new ATOM 907 N TYR A 59 11.642 4.502 3.739 1.00 0.00 N ATOM 908 CA TYR A 59 10.615 5.027 4.613 1.00 0.00 C ATOM 909 C TYR A 59 10.348 4.067 5.769 1.00 0.00 C ATOM 910 O TYR A 59 10.734 4.345 6.903 1.00 0.00 O ATOM 911 CB TYR A 59 9.350 5.274 3.792 1.00 0.00 C ATOM 912 CG TYR A 59 8.527 6.451 4.266 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.964 7.328 3.330 1.00 0.00 C ATOM 914 CD2 TYR A 59 8.319 6.657 5.637 1.00 0.00 C ATOM 915 CE1 TYR A 59 7.193 8.416 3.759 1.00 0.00 C ATOM 916 CE2 TYR A 59 7.545 7.740 6.075 1.00 0.00 C ATOM 917 CZ TYR A 59 6.978 8.624 5.136 1.00 0.00 C ATOM 918 OH TYR A 59 6.220 9.676 5.557 1.00 0.00 O ATOM 0 H TYR A 59 11.285 4.135 2.856 1.00 0.00 H new ATOM 0 HA TYR A 59 10.948 5.969 5.049 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.631 5.436 2.751 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.731 4.377 3.819 1.00 0.00 H new ATOM 0 HD1 TYR A 59 8.125 7.165 2.275 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.756 5.980 6.356 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.764 9.094 3.036 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.383 7.897 7.131 1.00 0.00 H new ATOM 0 HH TYR A 59 6.171 9.673 6.536 1.00 0.00 H new ATOM 928 N ASN A 60 9.655 2.956 5.495 1.00 0.00 N ATOM 929 CA ASN A 60 9.311 1.997 6.533 1.00 0.00 C ATOM 930 C ASN A 60 9.139 0.600 5.943 1.00 0.00 C ATOM 931 O ASN A 60 9.251 -0.388 6.666 1.00 0.00 O ATOM 932 CB ASN A 60 8.013 2.429 7.215 1.00 0.00 C ATOM 933 CG ASN A 60 8.280 3.480 8.284 1.00 0.00 C ATOM 934 OD1 ASN A 60 9.036 3.236 9.222 1.00 0.00 O ATOM 935 ND2 ASN A 60 7.631 4.639 8.164 1.00 0.00 N ATOM 0 H ASN A 60 9.325 2.705 4.563 1.00 0.00 H new ATOM 0 HA ASN A 60 10.120 1.967 7.263 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.323 2.829 6.472 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.529 1.562 7.665 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.752 5.367 8.868 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.013 4.798 7.368 1.00 0.00 H new ATOM 942 N ILE A 61 8.804 0.514 4.652 1.00 0.00 N ATOM 943 CA ILE A 61 8.566 -0.766 4.007 1.00 0.00 C ATOM 944 C ILE A 61 9.766 -1.681 4.206 1.00 0.00 C ATOM 945 O ILE A 61 10.911 -1.241 4.130 1.00 0.00 O ATOM 946 CB ILE A 61 8.271 -0.557 2.519 1.00 0.00 C ATOM 947 CG1 ILE A 61 6.790 -0.229 2.330 1.00 0.00 C ATOM 948 CG2 ILE A 61 8.573 -1.841 1.743 1.00 0.00 C ATOM 949 CD1 ILE A 61 6.489 1.191 2.801 1.00 0.00 C ATOM 0 H ILE A 61 8.693 1.321 4.038 1.00 0.00 H new ATOM 0 HA ILE A 61 7.697 -1.242 4.461 1.00 0.00 H new ATOM 0 HB ILE A 61 8.893 0.260 2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.520 -0.334 1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.181 -0.940 2.888 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.361 -1.685 0.685 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.624 -2.103 1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.950 -2.651 2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.430 1.405 2.658 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.739 1.284 3.858 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.083 1.899 2.224 1.00 0.00 H new ATOM 961 N GLN A 62 9.490 -2.963 4.458 1.00 0.00 N ATOM 962 CA GLN A 62 10.522 -3.964 4.637 1.00 0.00 C ATOM 963 C GLN A 62 10.206 -5.156 3.742 1.00 0.00 C ATOM 964 O GLN A 62 9.102 -5.260 3.210 1.00 0.00 O ATOM 965 CB GLN A 62 10.568 -4.382 6.107 1.00 0.00 C ATOM 966 CG GLN A 62 11.255 -3.302 6.939 1.00 0.00 C ATOM 967 CD GLN A 62 11.129 -3.598 8.428 1.00 0.00 C ATOM 968 OE1 GLN A 62 11.333 -4.731 8.859 1.00 0.00 O ATOM 969 NE2 GLN A 62 10.778 -2.579 9.213 1.00 0.00 N ATOM 0 H GLN A 62 8.541 -3.327 4.542 1.00 0.00 H new ATOM 0 HA GLN A 62 11.498 -3.564 4.362 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.557 -4.549 6.477 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.104 -5.326 6.208 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.308 -3.241 6.664 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.812 -2.331 6.719 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.619 -1.656 8.810 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.668 -2.723 10.217 1.00 0.00 H new ATOM 978 N LYS A 63 11.187 -6.042 3.557 1.00 0.00 N ATOM 979 CA LYS A 63 11.032 -7.207 2.708 1.00 0.00 C ATOM 980 C LYS A 63 10.007 -8.166 3.302 1.00 0.00 C ATOM 981 O LYS A 63 10.126 -8.575 4.455 1.00 0.00 O ATOM 982 CB LYS A 63 12.388 -7.886 2.507 1.00 0.00 C ATOM 983 CG LYS A 63 13.007 -8.296 3.841 1.00 0.00 C ATOM 984 CD LYS A 63 14.405 -8.851 3.588 1.00 0.00 C ATOM 985 CE LYS A 63 15.047 -9.254 4.911 1.00 0.00 C ATOM 986 NZ LYS A 63 16.411 -9.760 4.697 1.00 0.00 N ATOM 0 H LYS A 63 12.106 -5.965 3.994 1.00 0.00 H new ATOM 0 HA LYS A 63 10.661 -6.895 1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.266 -8.765 1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.062 -7.208 1.984 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.058 -7.439 4.512 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.386 -9.047 4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.349 -9.713 2.923 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.019 -8.102 3.088 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.074 -8.397 5.583 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.442 -10.020 5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.829 -10.028 5.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.379 -10.592 4.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 16.991 -9.018 4.255 1.00 0.00 H new ATOM 1000 N GLU A 64 8.982 -8.495 2.514 1.00 0.00 N ATOM 1001 CA GLU A 64 7.935 -9.418 2.912 1.00 0.00 C ATOM 1002 C GLU A 64 7.353 -9.033 4.267 1.00 0.00 C ATOM 1003 O GLU A 64 7.059 -9.902 5.086 1.00 0.00 O ATOM 1004 CB GLU A 64 8.488 -10.844 2.931 1.00 0.00 C ATOM 1005 CG GLU A 64 8.906 -11.273 1.524 1.00 0.00 C ATOM 1006 CD GLU A 64 10.281 -10.726 1.160 1.00 0.00 C ATOM 1007 OE1 GLU A 64 10.317 -9.738 0.393 1.00 0.00 O ATOM 1008 OE2 GLU A 64 11.273 -11.346 1.601 1.00 0.00 O ATOM 0 H GLU A 64 8.860 -8.120 1.573 1.00 0.00 H new ATOM 0 HA GLU A 64 7.124 -9.367 2.186 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.343 -10.900 3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.733 -11.528 3.317 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.918 -12.361 1.463 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.170 -10.921 0.801 1.00 0.00 H new ATOM 1015 N SER A 65 7.138 -7.734 4.484 1.00 0.00 N ATOM 1016 CA SER A 65 6.538 -7.258 5.715 1.00 0.00 C ATOM 1017 C SER A 65 5.074 -6.909 5.481 1.00 0.00 C ATOM 1018 O SER A 65 4.622 -6.852 4.339 1.00 0.00 O ATOM 1019 CB SER A 65 7.318 -6.049 6.224 1.00 0.00 C ATOM 1020 OG SER A 65 7.206 -5.970 7.628 1.00 0.00 O ATOM 0 H SER A 65 7.373 -6.998 3.818 1.00 0.00 H new ATOM 0 HA SER A 65 6.579 -8.042 6.472 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.366 -6.133 5.937 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.934 -5.137 5.767 1.00 0.00 H new ATOM 0 HG SER A 65 7.709 -5.194 7.953 1.00 0.00 H new ATOM 1026 N THR A 66 4.337 -6.655 6.566 1.00 0.00 N ATOM 1027 CA THR A 66 2.922 -6.350 6.484 1.00 0.00 C ATOM 1028 C THR A 66 2.707 -4.842 6.524 1.00 0.00 C ATOM 1029 O THR A 66 3.297 -4.148 7.350 1.00 0.00 O ATOM 1030 CB THR A 66 2.192 -7.028 7.642 1.00 0.00 C ATOM 1031 OG1 THR A 66 2.518 -8.400 7.663 1.00 0.00 O ATOM 1032 CG2 THR A 66 0.681 -6.869 7.485 1.00 0.00 C ATOM 0 H THR A 66 4.709 -6.657 7.516 1.00 0.00 H new ATOM 0 HA THR A 66 2.522 -6.726 5.542 1.00 0.00 H new ATOM 0 HB THR A 66 2.501 -6.559 8.576 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.052 -8.836 8.407 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.175 -7.357 8.318 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.426 -5.809 7.476 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.362 -7.327 6.548 1.00 0.00 H new ATOM 1040 N LEU A 67 1.843 -4.344 5.636 1.00 0.00 N ATOM 1041 CA LEU A 67 1.492 -2.937 5.578 1.00 0.00 C ATOM 1042 C LEU A 67 0.051 -2.774 6.052 1.00 0.00 C ATOM 1043 O LEU A 67 -0.628 -3.763 6.323 1.00 0.00 O ATOM 1044 CB LEU A 67 1.638 -2.427 4.143 1.00 0.00 C ATOM 1045 CG LEU A 67 3.087 -2.062 3.826 1.00 0.00 C ATOM 1046 CD1 LEU A 67 3.928 -3.321 3.624 1.00 0.00 C ATOM 1047 CD2 LEU A 67 3.110 -1.240 2.539 1.00 0.00 C ATOM 0 H LEU A 67 1.369 -4.915 4.936 1.00 0.00 H new ATOM 0 HA LEU A 67 2.156 -2.358 6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.293 -3.191 3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.001 -1.554 3.999 1.00 0.00 H new ATOM 0 HG LEU A 67 3.502 -1.493 4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.957 -3.039 3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.907 -3.922 4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.521 -3.901 2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.138 -0.971 2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.688 -1.828 1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.520 -0.334 2.676 1.00 0.00 H new ATOM 1059 N HIS A 68 -0.424 -1.528 6.134 1.00 0.00 N ATOM 1060 CA HIS A 68 -1.786 -1.255 6.551 1.00 0.00 C ATOM 1061 C HIS A 68 -2.458 -0.345 5.532 1.00 0.00 C ATOM 1062 O HIS A 68 -1.873 0.646 5.099 1.00 0.00 O ATOM 1063 CB HIS A 68 -1.783 -0.622 7.939 1.00 0.00 C ATOM 1064 CG HIS A 68 -3.173 -0.407 8.469 1.00 0.00 C ATOM 1065 ND1 HIS A 68 -4.004 -1.382 8.961 1.00 0.00 N ATOM 1066 CD2 HIS A 68 -3.847 0.779 8.502 1.00 0.00 C ATOM 1067 CE1 HIS A 68 -5.165 -0.788 9.294 1.00 0.00 C ATOM 1068 NE2 HIS A 68 -5.118 0.535 9.036 1.00 0.00 N ATOM 0 H HIS A 68 0.123 -0.696 5.915 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.350 -2.186 6.604 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.229 -1.261 8.626 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.259 0.333 7.900 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.468 1.736 8.174 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.019 -1.301 9.711 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -5.858 1.219 9.197 1.00 0.00 H new ATOM 1076 N LEU A 69 -3.664 -0.722 5.102 1.00 0.00 N ATOM 1077 CA LEU A 69 -4.398 0.024 4.097 1.00 0.00 C ATOM 1078 C LEU A 69 -5.791 0.344 4.621 1.00 0.00 C ATOM 1079 O LEU A 69 -6.368 -0.441 5.371 1.00 0.00 O ATOM 1080 CB LEU A 69 -4.477 -0.813 2.817 1.00 0.00 C ATOM 1081 CG LEU A 69 -5.061 0.002 1.661 1.00 0.00 C ATOM 1082 CD1 LEU A 69 -4.028 1.005 1.155 1.00 0.00 C ATOM 1083 CD2 LEU A 69 -5.431 -0.937 0.517 1.00 0.00 C ATOM 0 H LEU A 69 -4.151 -1.550 5.444 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.890 0.962 3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.482 -1.168 2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.094 -1.694 2.993 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.945 0.534 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.452 1.581 0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.749 1.680 1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.143 0.472 0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.847 -0.359 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.540 -1.465 0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.170 -1.659 0.864 1.00 0.00 H new ATOM 1095 N ALA A 70 -6.348 1.477 4.189 1.00 0.00 N ATOM 1096 CA ALA A 70 -7.689 1.879 4.568 1.00 0.00 C ATOM 1097 C ALA A 70 -8.508 2.131 3.313 1.00 0.00 C ATOM 1098 O ALA A 70 -7.983 2.653 2.334 1.00 0.00 O ATOM 1099 CB ALA A 70 -7.619 3.129 5.442 1.00 0.00 C ATOM 0 H ALA A 70 -5.877 2.135 3.568 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.171 1.089 5.143 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.627 3.431 5.727 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.038 2.914 6.339 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.142 3.936 4.885 1.00 0.00 H new ATOM 1105 N LEU A 71 -9.788 1.748 3.338 1.00 0.00 N ATOM 1106 CA LEU A 71 -10.661 1.875 2.184 1.00 0.00 C ATOM 1107 C LEU A 71 -11.878 2.716 2.557 1.00 0.00 C ATOM 1108 O LEU A 71 -12.048 3.089 3.717 1.00 0.00 O ATOM 1109 CB LEU A 71 -11.119 0.487 1.708 1.00 0.00 C ATOM 1110 CG LEU A 71 -10.008 -0.363 1.073 1.00 0.00 C ATOM 1111 CD1 LEU A 71 -9.143 0.481 0.138 1.00 0.00 C ATOM 1112 CD2 LEU A 71 -9.134 -1.013 2.145 1.00 0.00 C ATOM 0 H LEU A 71 -10.240 1.344 4.158 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.113 2.361 1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.535 -0.056 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.924 0.612 0.983 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.488 -1.150 0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.364 -0.143 -0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.764 0.896 -0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.684 1.293 0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.356 -1.609 1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.673 -0.238 2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.749 -1.656 2.775 1.00 0.00 H new ATOM 1124 N ARG A 72 -12.731 2.998 1.568 1.00 0.00 N ATOM 1125 CA ARG A 72 -13.965 3.737 1.778 1.00 0.00 C ATOM 1126 C ARG A 72 -14.913 2.928 2.655 1.00 0.00 C ATOM 1127 O ARG A 72 -14.659 1.758 2.931 1.00 0.00 O ATOM 1128 CB ARG A 72 -14.627 4.034 0.430 1.00 0.00 C ATOM 1129 CG ARG A 72 -14.908 2.730 -0.319 1.00 0.00 C ATOM 1130 CD ARG A 72 -15.878 2.990 -1.470 1.00 0.00 C ATOM 1131 NE ARG A 72 -17.218 3.294 -0.963 1.00 0.00 N ATOM 1132 CZ ARG A 72 -18.146 3.963 -1.662 1.00 0.00 C ATOM 1133 NH1 ARG A 72 -17.865 4.418 -2.890 1.00 0.00 N ATOM 1134 NH2 ARG A 72 -19.356 4.176 -1.131 1.00 0.00 N ATOM 0 H ARG A 72 -12.579 2.717 0.599 1.00 0.00 H new ATOM 0 HA ARG A 72 -13.736 4.678 2.278 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.557 4.580 0.586 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -13.979 4.673 -0.169 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.977 2.314 -0.704 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.329 1.992 0.364 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -15.516 3.821 -2.076 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -15.920 2.116 -2.120 1.00 0.00 H new ATOM 0 HE ARG A 72 -17.459 2.978 -0.024 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -16.943 4.256 -3.295 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -18.573 4.927 -3.420 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -19.571 3.830 -0.196 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -20.063 4.685 -1.661 1.00 0.00 H new