USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 550 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 26 TYR OH : rot -38:sc= 0.995 USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0.855 USER MOD Single : A 7 THR OG1 : rot -140:sc= 0 USER MOD Single : A 11 MET CE :methyl 157:sc= -0.0191 (180deg=-0.15) USER MOD Single : A 12 THR OG1 : rot -80:sc= -0.167 USER MOD Single : A 18 THR OG1 : rot -83:sc= 0.658 USER MOD Single : A 42 TYR OH : rot 180:sc= -0.0266 USER MOD Single : A 43 SER OG : rot -180:sc= 1.05 USER MOD Single : A 58 GLN : amide:sc= -0.0466 X(o=-0.047,f=-0.035) USER MOD Single : A 63 SER OG : rot -130:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.5) USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0803) USER MOD Single : A 73 THR OG1 : rot -38:sc= 0.405 USER MOD ----------------------------------------------------------------- ATOM 70 N LEU A 3 4.455 -0.115 5.827 1.00 0.00 N ATOM 71 CA LEU A 3 4.234 -1.359 6.588 1.00 0.00 C ATOM 72 C LEU A 3 4.402 -2.625 5.714 1.00 0.00 C ATOM 73 O LEU A 3 4.555 -2.540 4.497 1.00 0.00 O ATOM 74 CB LEU A 3 2.842 -1.307 7.267 1.00 0.00 C ATOM 75 CG LEU A 3 2.713 -0.601 8.638 1.00 0.00 C ATOM 76 CD1 LEU A 3 3.731 -1.108 9.668 1.00 0.00 C ATOM 77 CD2 LEU A 3 2.744 0.929 8.599 1.00 0.00 C ATOM 0 HA LEU A 3 5.002 -1.430 7.359 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.155 -0.818 6.577 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.495 -2.333 7.389 1.00 0.00 H new ATOM 0 HG LEU A 3 1.707 -0.880 8.953 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.592 -0.576 10.609 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.584 -2.176 9.829 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.741 -0.932 9.298 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.646 1.321 9.611 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.689 1.263 8.170 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.919 1.294 7.988 1.00 0.00 H new ATOM 89 N ARG A 4 4.388 -3.815 6.338 1.00 0.00 N ATOM 90 CA ARG A 4 4.593 -5.141 5.713 1.00 0.00 C ATOM 91 C ARG A 4 3.289 -5.956 5.651 1.00 0.00 C ATOM 92 O ARG A 4 2.362 -5.681 6.410 1.00 0.00 O ATOM 93 CB ARG A 4 5.653 -5.904 6.528 1.00 0.00 C ATOM 94 CG ARG A 4 7.073 -5.344 6.340 1.00 0.00 C ATOM 95 CD ARG A 4 8.058 -5.979 7.336 1.00 0.00 C ATOM 96 NE ARG A 4 8.321 -5.102 8.494 1.00 0.00 N ATOM 97 CZ ARG A 4 8.854 -5.441 9.664 1.00 0.00 C ATOM 98 NH1 ARG A 4 9.116 -6.689 9.976 1.00 0.00 N ATOM 99 NH2 ARG A 4 9.143 -4.516 10.549 1.00 0.00 N ATOM 0 H ARG A 4 4.226 -3.886 7.342 1.00 0.00 H new ATOM 0 HA ARG A 4 4.928 -4.995 4.686 1.00 0.00 H new ATOM 0 HB2 ARG A 4 5.389 -5.863 7.585 1.00 0.00 H new ATOM 0 HB3 ARG A 4 5.641 -6.954 6.236 1.00 0.00 H new ATOM 0 HG2 ARG A 4 7.410 -5.534 5.321 1.00 0.00 H new ATOM 0 HG3 ARG A 4 7.061 -4.263 6.476 1.00 0.00 H new ATOM 0 HD2 ARG A 4 7.656 -6.930 7.686 1.00 0.00 H new ATOM 0 HD3 ARG A 4 8.997 -6.198 6.827 1.00 0.00 H new ATOM 0 HE ARG A 4 8.064 -4.121 8.384 1.00 0.00 H new ATOM 0 HH11 ARG A 4 8.910 -7.435 9.311 1.00 0.00 H new ATOM 0 HH12 ARG A 4 9.525 -6.913 10.883 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.959 -3.535 10.340 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.552 -4.778 11.446 1.00 0.00 H new ATOM 113 N ILE A 5 3.241 -7.024 4.835 1.00 0.00 N ATOM 114 CA ILE A 5 2.033 -7.866 4.675 1.00 0.00 C ATOM 115 C ILE A 5 1.591 -8.476 6.009 1.00 0.00 C ATOM 116 O ILE A 5 0.404 -8.515 6.308 1.00 0.00 O ATOM 117 CB ILE A 5 2.188 -8.933 3.555 1.00 0.00 C ATOM 118 CG1 ILE A 5 0.920 -9.010 2.675 1.00 0.00 C ATOM 119 CG2 ILE A 5 2.641 -10.329 4.021 1.00 0.00 C ATOM 120 CD1 ILE A 5 -0.308 -9.695 3.272 1.00 0.00 C ATOM 0 H ILE A 5 4.032 -7.330 4.269 1.00 0.00 H new ATOM 0 HA ILE A 5 1.231 -7.206 4.344 1.00 0.00 H new ATOM 0 HB ILE A 5 3.021 -8.574 2.951 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.639 -7.994 2.400 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.181 -9.529 1.753 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.716 -10.993 3.160 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.614 -10.253 4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.914 -10.731 4.727 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.122 -9.677 2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.064 -10.728 3.519 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.615 -9.169 4.176 1.00 0.00 H new ATOM 132 N ARG A 6 2.546 -8.836 6.875 1.00 0.00 N ATOM 133 CA ARG A 6 2.295 -9.264 8.255 1.00 0.00 C ATOM 134 C ARG A 6 1.399 -8.269 9.016 1.00 0.00 C ATOM 135 O ARG A 6 0.531 -8.690 9.775 1.00 0.00 O ATOM 136 CB ARG A 6 3.644 -9.473 8.969 1.00 0.00 C ATOM 137 CG ARG A 6 4.489 -10.637 8.415 1.00 0.00 C ATOM 138 CD ARG A 6 3.934 -12.013 8.822 1.00 0.00 C ATOM 139 NE ARG A 6 4.857 -13.117 8.484 1.00 0.00 N ATOM 140 CZ ARG A 6 5.978 -13.459 9.113 1.00 0.00 C ATOM 141 NH1 ARG A 6 6.432 -12.782 10.143 1.00 0.00 N ATOM 142 NH2 ARG A 6 6.674 -14.499 8.718 1.00 0.00 N ATOM 0 H ARG A 6 3.536 -8.838 6.630 1.00 0.00 H new ATOM 0 HA ARG A 6 1.748 -10.207 8.236 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.225 -8.553 8.897 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.456 -9.649 10.028 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.525 -10.570 7.328 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.514 -10.541 8.774 1.00 0.00 H new ATOM 0 HD2 ARG A 6 3.741 -12.021 9.895 1.00 0.00 H new ATOM 0 HD3 ARG A 6 2.978 -12.177 8.325 1.00 0.00 H new ATOM 0 HE ARG A 6 4.605 -13.683 7.674 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.921 -11.967 10.483 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.295 -13.071 10.603 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.357 -15.053 7.922 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.532 -14.754 9.207 1.00 0.00 H new ATOM 156 N THR A 7 1.563 -6.960 8.777 1.00 0.00 N ATOM 157 CA THR A 7 0.732 -5.895 9.362 1.00 0.00 C ATOM 158 C THR A 7 -0.597 -5.680 8.624 1.00 0.00 C ATOM 159 O THR A 7 -1.545 -5.188 9.229 1.00 0.00 O ATOM 160 CB THR A 7 1.523 -4.578 9.441 1.00 0.00 C ATOM 161 OG1 THR A 7 2.718 -4.817 10.147 1.00 0.00 O ATOM 162 CG2 THR A 7 0.768 -3.467 10.173 1.00 0.00 C ATOM 0 H THR A 7 2.292 -6.603 8.159 1.00 0.00 H new ATOM 0 HA THR A 7 0.473 -6.227 10.367 1.00 0.00 H new ATOM 0 HB THR A 7 1.699 -4.248 8.417 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.905 -4.059 10.739 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.379 -2.565 10.195 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.167 -3.259 9.653 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.553 -3.784 11.193 1.00 0.00 H new ATOM 170 N ILE A 8 -0.717 -6.089 7.357 1.00 0.00 N ATOM 171 CA ILE A 8 -2.014 -6.164 6.668 1.00 0.00 C ATOM 172 C ILE A 8 -2.817 -7.350 7.224 1.00 0.00 C ATOM 173 O ILE A 8 -3.950 -7.192 7.671 1.00 0.00 O ATOM 174 CB ILE A 8 -1.844 -6.244 5.131 1.00 0.00 C ATOM 175 CG1 ILE A 8 -0.940 -5.096 4.625 1.00 0.00 C ATOM 176 CG2 ILE A 8 -3.228 -6.201 4.458 1.00 0.00 C ATOM 177 CD1 ILE A 8 -0.925 -4.888 3.106 1.00 0.00 C ATOM 0 H ILE A 8 0.075 -6.376 6.782 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.571 -5.247 6.861 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.359 -7.184 4.870 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.262 -4.168 5.098 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.080 -5.287 4.958 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.108 -6.257 3.376 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.826 -7.045 4.801 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.731 -5.270 4.719 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.261 -4.060 2.859 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.570 -5.796 2.618 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.933 -4.660 2.760 1.00 0.00 H new ATOM 189 N ALA A 9 -2.218 -8.543 7.242 1.00 0.00 N ATOM 190 CA ALA A 9 -2.851 -9.776 7.698 1.00 0.00 C ATOM 191 C ALA A 9 -3.331 -9.717 9.158 1.00 0.00 C ATOM 192 O ALA A 9 -4.409 -10.241 9.464 1.00 0.00 O ATOM 193 CB ALA A 9 -1.856 -10.914 7.494 1.00 0.00 C ATOM 0 H ALA A 9 -1.256 -8.678 6.932 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.755 -9.936 7.111 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.302 -11.851 7.827 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.600 -10.989 6.437 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.953 -10.716 8.072 1.00 0.00 H new ATOM 199 N ARG A 10 -2.582 -9.038 10.048 1.00 0.00 N ATOM 200 CA ARG A 10 -2.942 -8.864 11.468 1.00 0.00 C ATOM 201 C ARG A 10 -4.307 -8.199 11.703 1.00 0.00 C ATOM 202 O ARG A 10 -4.793 -8.257 12.829 1.00 0.00 O ATOM 203 CB ARG A 10 -1.820 -8.140 12.244 1.00 0.00 C ATOM 204 CG ARG A 10 -1.849 -6.605 12.109 1.00 0.00 C ATOM 205 CD ARG A 10 -2.493 -5.881 13.299 1.00 0.00 C ATOM 206 NE ARG A 10 -1.554 -5.748 14.428 1.00 0.00 N ATOM 207 CZ ARG A 10 -1.777 -5.099 15.564 1.00 0.00 C ATOM 208 NH1 ARG A 10 -2.948 -4.573 15.836 1.00 0.00 N ATOM 209 NH2 ARG A 10 -0.817 -4.962 16.447 1.00 0.00 N ATOM 0 H ARG A 10 -1.700 -8.590 9.798 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.048 -9.874 11.864 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.896 -8.402 13.299 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.855 -8.506 11.893 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.828 -6.243 11.987 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.391 -6.341 11.201 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.828 -4.892 12.986 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.377 -6.429 13.624 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.645 -6.199 14.326 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.713 -4.658 15.167 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.093 -4.079 16.717 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.106 -5.355 16.262 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.993 -4.462 17.319 1.00 0.00 H new ATOM 223 N MET A 11 -4.936 -7.596 10.680 1.00 0.00 N ATOM 224 CA MET A 11 -6.312 -7.090 10.764 1.00 0.00 C ATOM 225 C MET A 11 -7.291 -8.159 11.269 1.00 0.00 C ATOM 226 O MET A 11 -8.200 -7.827 12.025 1.00 0.00 O ATOM 227 CB MET A 11 -6.802 -6.597 9.394 1.00 0.00 C ATOM 228 CG MET A 11 -6.151 -5.300 8.908 1.00 0.00 C ATOM 229 SD MET A 11 -6.731 -4.837 7.251 1.00 0.00 S ATOM 230 CE MET A 11 -5.456 -3.644 6.781 1.00 0.00 C ATOM 0 H MET A 11 -4.501 -7.446 9.770 1.00 0.00 H new ATOM 0 HA MET A 11 -6.289 -6.264 11.475 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.619 -7.378 8.656 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.881 -6.450 9.441 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.374 -4.496 9.609 1.00 0.00 H new ATOM 0 HG3 MET A 11 -5.068 -5.420 8.894 1.00 0.00 H new ATOM 0 HE1 MET A 11 -5.410 -3.570 5.695 1.00 0.00 H new ATOM 0 HE2 MET A 11 -5.698 -2.668 7.202 1.00 0.00 H new ATOM 0 HE3 MET A 11 -4.490 -3.974 7.163 1.00 0.00 H new ATOM 240 N THR A 12 -7.118 -9.423 10.850 1.00 0.00 N ATOM 241 CA THR A 12 -7.980 -10.540 11.281 1.00 0.00 C ATOM 242 C THR A 12 -7.271 -11.889 11.428 1.00 0.00 C ATOM 243 O THR A 12 -7.863 -12.813 11.984 1.00 0.00 O ATOM 244 CB THR A 12 -9.157 -10.762 10.312 1.00 0.00 C ATOM 245 OG1 THR A 12 -8.699 -11.309 9.099 1.00 0.00 O ATOM 246 CG2 THR A 12 -9.964 -9.512 9.948 1.00 0.00 C ATOM 0 H THR A 12 -6.379 -9.701 10.204 1.00 0.00 H new ATOM 0 HA THR A 12 -8.318 -10.220 12.266 1.00 0.00 H new ATOM 0 HB THR A 12 -9.816 -11.432 10.864 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.327 -10.596 8.539 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.766 -9.784 9.262 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.391 -9.079 10.852 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.310 -8.783 9.470 1.00 0.00 H new ATOM 254 N GLY A 13 -6.059 -12.068 10.885 1.00 0.00 N ATOM 255 CA GLY A 13 -5.422 -13.377 10.728 1.00 0.00 C ATOM 256 C GLY A 13 -6.071 -14.225 9.627 1.00 0.00 C ATOM 257 O GLY A 13 -5.366 -14.715 8.750 1.00 0.00 O ATOM 0 H GLY A 13 -5.489 -11.296 10.539 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.366 -13.237 10.497 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.473 -13.917 11.674 1.00 0.00 H new ATOM 261 N ILE A 14 -7.406 -14.368 9.626 1.00 0.00 N ATOM 262 CA ILE A 14 -8.154 -15.221 8.680 1.00 0.00 C ATOM 263 C ILE A 14 -7.858 -14.857 7.218 1.00 0.00 C ATOM 264 O ILE A 14 -7.789 -15.738 6.362 1.00 0.00 O ATOM 265 CB ILE A 14 -9.681 -15.305 9.002 1.00 0.00 C ATOM 266 CG1 ILE A 14 -10.650 -14.457 8.134 1.00 0.00 C ATOM 267 CG2 ILE A 14 -9.997 -15.003 10.480 1.00 0.00 C ATOM 268 CD1 ILE A 14 -11.036 -15.108 6.794 1.00 0.00 C ATOM 0 H ILE A 14 -8.009 -13.887 10.293 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.783 -16.236 8.821 1.00 0.00 H new ATOM 0 HB ILE A 14 -9.875 -16.347 8.748 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -11.558 -14.265 8.706 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -10.188 -13.490 7.935 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.072 -15.076 10.645 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -9.483 -15.723 11.117 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -9.660 -13.996 10.726 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -11.714 -14.449 6.252 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.138 -15.274 6.198 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -11.529 -16.062 6.982 1.00 0.00 H new ATOM 280 N ARG A 15 -7.636 -13.564 6.927 1.00 0.00 N ATOM 281 CA ARG A 15 -7.276 -13.101 5.582 1.00 0.00 C ATOM 282 C ARG A 15 -5.835 -13.447 5.183 1.00 0.00 C ATOM 283 O ARG A 15 -5.549 -13.375 3.993 1.00 0.00 O ATOM 284 CB ARG A 15 -7.527 -11.587 5.414 1.00 0.00 C ATOM 285 CG ARG A 15 -8.968 -11.134 5.708 1.00 0.00 C ATOM 286 CD ARG A 15 -10.066 -11.674 4.770 1.00 0.00 C ATOM 287 NE ARG A 15 -11.266 -12.087 5.531 1.00 0.00 N ATOM 288 CZ ARG A 15 -12.046 -11.340 6.306 1.00 0.00 C ATOM 289 NH1 ARG A 15 -12.047 -10.032 6.245 1.00 0.00 N ATOM 290 NH2 ARG A 15 -12.842 -11.906 7.185 1.00 0.00 N ATOM 0 H ARG A 15 -7.701 -12.815 7.617 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.933 -13.645 4.904 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.849 -11.045 6.074 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.273 -11.302 4.393 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.216 -11.428 6.728 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.996 -10.045 5.674 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.338 -10.907 4.045 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -9.680 -12.523 4.206 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.528 -13.070 5.451 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.434 -9.552 5.586 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.660 -9.493 6.857 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -12.863 -12.922 7.274 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.439 -11.329 7.778 1.00 0.00 H new ATOM 304 N GLU A 16 -4.932 -13.852 6.087 1.00 0.00 N ATOM 305 CA GLU A 16 -3.536 -14.141 5.714 1.00 0.00 C ATOM 306 C GLU A 16 -3.464 -15.191 4.595 1.00 0.00 C ATOM 307 O GLU A 16 -2.774 -14.987 3.597 1.00 0.00 O ATOM 308 CB GLU A 16 -2.694 -14.599 6.920 1.00 0.00 C ATOM 309 CG GLU A 16 -1.199 -14.393 6.605 1.00 0.00 C ATOM 310 CD GLU A 16 -0.251 -15.363 7.313 1.00 0.00 C ATOM 311 OE1 GLU A 16 -0.416 -16.583 7.095 1.00 0.00 O ATOM 312 OE2 GLU A 16 0.697 -14.864 7.963 1.00 0.00 O ATOM 0 H GLU A 16 -5.139 -13.987 7.077 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.114 -13.205 5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.972 -14.032 7.808 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.890 -15.649 7.138 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.053 -14.486 5.529 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.923 -13.374 6.877 1.00 0.00 H new ATOM 319 N ALA A 17 -4.251 -16.266 4.724 1.00 0.00 N ATOM 320 CA ALA A 17 -4.390 -17.306 3.714 1.00 0.00 C ATOM 321 C ALA A 17 -4.860 -16.754 2.357 1.00 0.00 C ATOM 322 O ALA A 17 -4.325 -17.158 1.327 1.00 0.00 O ATOM 323 CB ALA A 17 -5.349 -18.373 4.254 1.00 0.00 C ATOM 0 H ALA A 17 -4.819 -16.435 5.554 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.412 -17.747 3.522 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.468 -19.163 3.513 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.943 -18.796 5.173 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.319 -17.920 4.461 1.00 0.00 H new ATOM 329 N THR A 18 -5.819 -15.812 2.339 1.00 0.00 N ATOM 330 CA THR A 18 -6.283 -15.188 1.090 1.00 0.00 C ATOM 331 C THR A 18 -5.202 -14.274 0.510 1.00 0.00 C ATOM 332 O THR A 18 -4.883 -14.385 -0.666 1.00 0.00 O ATOM 333 CB THR A 18 -7.668 -14.515 1.241 1.00 0.00 C ATOM 334 OG1 THR A 18 -8.406 -14.706 0.054 1.00 0.00 O ATOM 335 CG2 THR A 18 -7.718 -13.012 1.537 1.00 0.00 C ATOM 0 H THR A 18 -6.287 -15.467 3.177 1.00 0.00 H new ATOM 0 HA THR A 18 -6.447 -15.976 0.355 1.00 0.00 H new ATOM 0 HB THR A 18 -8.072 -15.003 2.128 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.149 -14.026 -0.604 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.757 -12.691 1.614 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.205 -12.809 2.477 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.228 -12.466 0.731 1.00 0.00 H new ATOM 343 N LEU A 19 -4.563 -13.437 1.334 1.00 0.00 N ATOM 344 CA LEU A 19 -3.504 -12.511 0.928 1.00 0.00 C ATOM 345 C LEU A 19 -2.283 -13.240 0.338 1.00 0.00 C ATOM 346 O LEU A 19 -1.842 -12.925 -0.769 1.00 0.00 O ATOM 347 CB LEU A 19 -3.084 -11.678 2.149 1.00 0.00 C ATOM 348 CG LEU A 19 -4.168 -10.744 2.724 1.00 0.00 C ATOM 349 CD1 LEU A 19 -3.840 -10.359 4.176 1.00 0.00 C ATOM 350 CD2 LEU A 19 -4.321 -9.480 1.885 1.00 0.00 C ATOM 0 H LEU A 19 -4.775 -13.385 2.330 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.896 -11.867 0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.761 -12.359 2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.219 -11.075 1.874 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.110 -11.291 2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.617 -9.700 4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.790 -11.259 4.789 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.879 -9.845 4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.093 -8.846 2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.375 -8.939 1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.604 -9.751 0.868 1.00 0.00 H new ATOM 362 N ARG A 20 -1.746 -14.226 1.072 1.00 0.00 N ATOM 363 CA ARG A 20 -0.596 -15.041 0.653 1.00 0.00 C ATOM 364 C ARG A 20 -0.936 -15.950 -0.530 1.00 0.00 C ATOM 365 O ARG A 20 -0.058 -16.232 -1.343 1.00 0.00 O ATOM 366 CB ARG A 20 -0.065 -15.865 1.838 1.00 0.00 C ATOM 367 CG ARG A 20 0.497 -14.961 2.949 1.00 0.00 C ATOM 368 CD ARG A 20 0.944 -15.767 4.176 1.00 0.00 C ATOM 369 NE ARG A 20 2.196 -16.509 3.952 1.00 0.00 N ATOM 370 CZ ARG A 20 3.425 -16.009 3.994 1.00 0.00 C ATOM 371 NH1 ARG A 20 3.644 -14.735 4.224 1.00 0.00 N ATOM 372 NH2 ARG A 20 4.463 -16.787 3.802 1.00 0.00 N ATOM 0 H ARG A 20 -2.106 -14.484 1.991 1.00 0.00 H new ATOM 0 HA ARG A 20 0.185 -14.359 0.318 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.868 -16.482 2.241 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.715 -16.543 1.490 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.342 -14.393 2.561 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.263 -14.238 3.247 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.075 -15.090 5.020 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.156 -16.469 4.450 1.00 0.00 H new ATOM 0 HE ARG A 20 2.111 -17.504 3.744 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.859 -14.102 4.376 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.599 -14.378 4.251 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.328 -17.781 3.619 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.405 -16.398 3.835 1.00 0.00 H new ATOM 386 N ALA A 21 -2.205 -16.354 -0.685 1.00 0.00 N ATOM 387 CA ALA A 21 -2.681 -16.898 -1.950 1.00 0.00 C ATOM 388 C ALA A 21 -2.614 -15.832 -3.050 1.00 0.00 C ATOM 389 O ALA A 21 -1.938 -16.066 -4.046 1.00 0.00 O ATOM 390 CB ALA A 21 -4.082 -17.501 -1.802 1.00 0.00 C ATOM 0 H ALA A 21 -2.911 -16.312 0.050 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.023 -17.714 -2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.410 -17.899 -2.762 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.056 -18.305 -1.066 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.777 -16.729 -1.472 1.00 0.00 H new ATOM 396 N TRP A 22 -3.265 -14.667 -2.899 1.00 0.00 N ATOM 397 CA TRP A 22 -3.326 -13.614 -3.923 1.00 0.00 C ATOM 398 C TRP A 22 -1.949 -13.163 -4.428 1.00 0.00 C ATOM 399 O TRP A 22 -1.814 -12.942 -5.629 1.00 0.00 O ATOM 400 CB TRP A 22 -4.088 -12.379 -3.445 1.00 0.00 C ATOM 401 CG TRP A 22 -5.497 -12.481 -2.955 1.00 0.00 C ATOM 402 CD1 TRP A 22 -6.353 -13.517 -3.108 1.00 0.00 C ATOM 403 CD2 TRP A 22 -6.213 -11.478 -2.176 1.00 0.00 C ATOM 404 NE1 TRP A 22 -7.529 -13.232 -2.438 1.00 0.00 N ATOM 405 CE2 TRP A 22 -7.515 -11.968 -1.886 1.00 0.00 C ATOM 406 CE3 TRP A 22 -5.877 -10.208 -1.664 1.00 0.00 C ATOM 407 CZ2 TRP A 22 -8.442 -11.231 -1.130 1.00 0.00 C ATOM 408 CZ3 TRP A 22 -6.785 -9.466 -0.888 1.00 0.00 C ATOM 409 CH2 TRP A 22 -8.065 -9.979 -0.614 1.00 0.00 C ATOM 0 H TRP A 22 -3.772 -14.428 -2.047 1.00 0.00 H new ATOM 0 HA TRP A 22 -3.861 -14.083 -4.749 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.502 -11.935 -2.640 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -4.088 -11.666 -4.270 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -6.151 -14.421 -3.664 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -8.313 -13.880 -2.361 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -4.901 -9.796 -1.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -9.432 -11.622 -0.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.498 -8.499 -0.501 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.757 -9.412 -0.008 1.00 0.00 H new ATOM 420 N GLU A 23 -0.922 -13.114 -3.571 1.00 0.00 N ATOM 421 CA GLU A 23 0.496 -12.945 -3.940 1.00 0.00 C ATOM 422 C GLU A 23 0.943 -13.884 -5.084 1.00 0.00 C ATOM 423 O GLU A 23 1.726 -13.482 -5.944 1.00 0.00 O ATOM 424 CB GLU A 23 1.335 -13.109 -2.653 1.00 0.00 C ATOM 425 CG GLU A 23 2.798 -13.544 -2.848 1.00 0.00 C ATOM 426 CD GLU A 23 3.599 -13.626 -1.536 1.00 0.00 C ATOM 427 OE1 GLU A 23 2.982 -13.636 -0.443 1.00 0.00 O ATOM 428 OE2 GLU A 23 4.844 -13.699 -1.643 1.00 0.00 O ATOM 0 H GLU A 23 -1.057 -13.194 -2.563 1.00 0.00 H new ATOM 0 HA GLU A 23 0.652 -11.948 -4.353 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.328 -12.160 -2.116 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.842 -13.841 -2.013 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.816 -14.519 -3.336 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.290 -12.842 -3.521 1.00 0.00 H new ATOM 435 N ARG A 24 0.399 -15.109 -5.135 1.00 0.00 N ATOM 436 CA ARG A 24 0.594 -16.135 -6.173 1.00 0.00 C ATOM 437 C ARG A 24 -0.575 -16.248 -7.170 1.00 0.00 C ATOM 438 O ARG A 24 -0.404 -16.848 -8.228 1.00 0.00 O ATOM 439 CB ARG A 24 0.821 -17.480 -5.451 1.00 0.00 C ATOM 440 CG ARG A 24 2.266 -17.613 -4.944 1.00 0.00 C ATOM 441 CD ARG A 24 3.152 -18.273 -6.011 1.00 0.00 C ATOM 442 NE ARG A 24 4.470 -17.627 -6.130 1.00 0.00 N ATOM 443 CZ ARG A 24 5.380 -17.895 -7.059 1.00 0.00 C ATOM 444 NH1 ARG A 24 5.211 -18.866 -7.928 1.00 0.00 N ATOM 445 NH2 ARG A 24 6.481 -17.187 -7.135 1.00 0.00 N ATOM 0 H ARG A 24 -0.232 -15.432 -4.402 1.00 0.00 H new ATOM 0 HA ARG A 24 1.453 -15.849 -6.780 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.131 -17.564 -4.611 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.596 -18.301 -6.131 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.661 -16.629 -4.693 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.284 -18.207 -4.030 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.288 -19.326 -5.764 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.644 -18.234 -6.975 1.00 0.00 H new ATOM 0 HE ARG A 24 4.704 -16.913 -5.440 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.365 -19.435 -7.899 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.926 -19.051 -8.632 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.643 -16.424 -6.478 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.175 -17.399 -7.851 1.00 0.00 H new ATOM 459 N ARG A 25 -1.747 -15.683 -6.850 1.00 0.00 N ATOM 460 CA ARG A 25 -3.021 -15.814 -7.587 1.00 0.00 C ATOM 461 C ARG A 25 -3.357 -14.607 -8.485 1.00 0.00 C ATOM 462 O ARG A 25 -4.096 -14.783 -9.457 1.00 0.00 O ATOM 463 CB ARG A 25 -4.150 -16.096 -6.562 1.00 0.00 C ATOM 464 CG ARG A 25 -4.872 -17.448 -6.691 1.00 0.00 C ATOM 465 CD ARG A 25 -6.224 -17.307 -7.396 1.00 0.00 C ATOM 466 NE ARG A 25 -6.047 -16.739 -8.739 1.00 0.00 N ATOM 467 CZ ARG A 25 -5.903 -17.376 -9.888 1.00 0.00 C ATOM 468 NH1 ARG A 25 -6.109 -18.668 -10.010 1.00 0.00 N ATOM 469 NH2 ARG A 25 -5.502 -16.691 -10.927 1.00 0.00 N ATOM 0 H ARG A 25 -1.842 -15.089 -6.026 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.920 -16.646 -8.283 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.726 -16.030 -5.560 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.893 -15.303 -6.646 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.243 -18.144 -7.247 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.022 -17.876 -5.700 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.707 -18.282 -7.468 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.882 -16.668 -6.808 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.033 -15.720 -8.792 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.391 -19.218 -9.199 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.987 -19.121 -10.916 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.310 -15.693 -10.837 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.381 -17.154 -11.828 1.00 0.00 H new ATOM 483 N TYR A 26 -2.836 -13.413 -8.169 1.00 0.00 N ATOM 484 CA TYR A 26 -3.031 -12.152 -8.914 1.00 0.00 C ATOM 485 C TYR A 26 -1.863 -11.159 -8.786 1.00 0.00 C ATOM 486 O TYR A 26 -1.581 -10.427 -9.730 1.00 0.00 O ATOM 487 CB TYR A 26 -4.287 -11.414 -8.417 1.00 0.00 C ATOM 488 CG TYR A 26 -5.550 -12.243 -8.387 1.00 0.00 C ATOM 489 CD1 TYR A 26 -6.318 -12.420 -9.554 1.00 0.00 C ATOM 490 CD2 TYR A 26 -5.922 -12.882 -7.192 1.00 0.00 C ATOM 491 CE1 TYR A 26 -7.463 -13.237 -9.524 1.00 0.00 C ATOM 492 CE2 TYR A 26 -7.038 -13.731 -7.168 1.00 0.00 C ATOM 493 CZ TYR A 26 -7.828 -13.893 -8.329 1.00 0.00 C ATOM 494 OH TYR A 26 -8.942 -14.676 -8.298 1.00 0.00 O ATOM 0 H TYR A 26 -2.240 -13.290 -7.351 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.117 -12.463 -9.955 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -4.094 -11.038 -7.412 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.456 -10.547 -9.055 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -6.028 -11.929 -10.471 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.348 -12.719 -6.292 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -8.062 -13.362 -10.414 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -7.294 -14.261 -6.262 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.647 -14.263 -8.838 1.00 0.00 H new ATOM 504 N GLY A 27 -1.231 -11.086 -7.607 1.00 0.00 N ATOM 505 CA GLY A 27 -0.190 -10.123 -7.247 1.00 0.00 C ATOM 506 C GLY A 27 -0.661 -8.974 -6.343 1.00 0.00 C ATOM 507 O GLY A 27 0.182 -8.238 -5.849 1.00 0.00 O ATOM 0 H GLY A 27 -1.444 -11.729 -6.844 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.619 -10.654 -6.745 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.226 -9.700 -8.161 1.00 0.00 H new ATOM 511 N PHE A 28 -1.972 -8.805 -6.111 1.00 0.00 N ATOM 512 CA PHE A 28 -2.520 -7.819 -5.166 1.00 0.00 C ATOM 513 C PHE A 28 -2.703 -8.435 -3.761 1.00 0.00 C ATOM 514 O PHE A 28 -3.187 -9.557 -3.672 1.00 0.00 O ATOM 515 CB PHE A 28 -3.872 -7.306 -5.685 1.00 0.00 C ATOM 516 CG PHE A 28 -4.690 -6.476 -4.702 1.00 0.00 C ATOM 517 CD1 PHE A 28 -5.587 -7.110 -3.816 1.00 0.00 C ATOM 518 CD2 PHE A 28 -4.590 -5.071 -4.688 1.00 0.00 C ATOM 519 CE1 PHE A 28 -6.427 -6.349 -2.984 1.00 0.00 C ATOM 520 CE2 PHE A 28 -5.418 -4.310 -3.842 1.00 0.00 C ATOM 521 CZ PHE A 28 -6.351 -4.947 -3.008 1.00 0.00 C ATOM 0 H PHE A 28 -2.691 -9.356 -6.580 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.815 -6.991 -5.087 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.693 -6.706 -6.577 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.470 -8.163 -5.993 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.629 -8.188 -3.777 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.875 -4.576 -5.329 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.129 -6.842 -2.328 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.336 -3.233 -3.834 1.00 0.00 H new ATOM 0 HZ PHE A 28 -7.009 -4.359 -2.386 1.00 0.00 H new ATOM 531 N PRO A 29 -2.417 -7.707 -2.666 1.00 0.00 N ATOM 532 CA PRO A 29 -1.661 -6.467 -2.675 1.00 0.00 C ATOM 533 C PRO A 29 -0.196 -6.749 -3.018 1.00 0.00 C ATOM 534 O PRO A 29 0.374 -7.757 -2.584 1.00 0.00 O ATOM 535 CB PRO A 29 -1.821 -5.894 -1.273 1.00 0.00 C ATOM 536 CG PRO A 29 -1.952 -7.144 -0.397 1.00 0.00 C ATOM 537 CD PRO A 29 -2.730 -8.102 -1.299 1.00 0.00 C ATOM 0 HA PRO A 29 -2.015 -5.760 -3.425 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.962 -5.289 -0.985 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.701 -5.255 -1.197 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.979 -7.549 -0.120 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.486 -6.936 0.530 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.438 -9.136 -1.115 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.801 -8.035 -1.109 1.00 0.00 H new ATOM 545 N ARG A 30 0.427 -5.824 -3.747 1.00 0.00 N ATOM 546 CA ARG A 30 1.844 -5.900 -4.104 1.00 0.00 C ATOM 547 C ARG A 30 2.669 -4.996 -3.189 1.00 0.00 C ATOM 548 O ARG A 30 2.388 -3.800 -3.102 1.00 0.00 O ATOM 549 CB ARG A 30 2.099 -5.540 -5.573 1.00 0.00 C ATOM 550 CG ARG A 30 1.344 -4.303 -6.086 1.00 0.00 C ATOM 551 CD ARG A 30 2.223 -3.534 -7.076 1.00 0.00 C ATOM 552 NE ARG A 30 1.423 -2.782 -8.056 1.00 0.00 N ATOM 553 CZ ARG A 30 0.986 -3.244 -9.220 1.00 0.00 C ATOM 554 NH1 ARG A 30 1.105 -4.510 -9.553 1.00 0.00 N ATOM 555 NH2 ARG A 30 0.418 -2.432 -10.079 1.00 0.00 N ATOM 0 H ARG A 30 -0.041 -4.994 -4.110 1.00 0.00 H new ATOM 0 HA ARG A 30 2.153 -6.936 -3.968 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.168 -5.376 -5.710 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.826 -6.395 -6.192 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.415 -4.607 -6.569 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.072 -3.659 -5.250 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.867 -2.845 -6.529 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.875 -4.233 -7.600 1.00 0.00 H new ATOM 0 HE ARG A 30 1.183 -1.819 -7.819 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.544 -5.168 -8.909 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.759 -4.835 -10.456 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.312 -1.443 -9.853 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.083 -2.789 -10.974 1.00 0.00 H new ATOM 569 N PRO A 31 3.718 -5.519 -2.538 1.00 0.00 N ATOM 570 CA PRO A 31 4.661 -4.667 -1.848 1.00 0.00 C ATOM 571 C PRO A 31 5.564 -3.973 -2.880 1.00 0.00 C ATOM 572 O PRO A 31 6.213 -4.629 -3.698 1.00 0.00 O ATOM 573 CB PRO A 31 5.410 -5.604 -0.917 1.00 0.00 C ATOM 574 CG PRO A 31 5.420 -6.950 -1.639 1.00 0.00 C ATOM 575 CD PRO A 31 4.167 -6.906 -2.517 1.00 0.00 C ATOM 0 HA PRO A 31 4.203 -3.860 -1.276 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.423 -5.248 -0.730 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.915 -5.679 0.051 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.323 -7.076 -2.237 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.386 -7.781 -0.935 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.389 -7.256 -3.525 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.391 -7.558 -2.116 1.00 0.00 H new ATOM 583 N LEU A 32 5.591 -2.640 -2.859 1.00 0.00 N ATOM 584 CA LEU A 32 6.511 -1.832 -3.653 1.00 0.00 C ATOM 585 C LEU A 32 7.953 -2.015 -3.147 1.00 0.00 C ATOM 586 O LEU A 32 8.182 -2.401 -1.994 1.00 0.00 O ATOM 587 CB LEU A 32 6.075 -0.347 -3.698 1.00 0.00 C ATOM 588 CG LEU A 32 5.607 0.290 -2.369 1.00 0.00 C ATOM 589 CD1 LEU A 32 5.887 1.796 -2.357 1.00 0.00 C ATOM 590 CD2 LEU A 32 4.093 0.129 -2.153 1.00 0.00 C ATOM 0 H LEU A 32 4.963 -2.084 -2.279 1.00 0.00 H new ATOM 0 HA LEU A 32 6.481 -2.182 -4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.911 0.240 -4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.265 -0.254 -4.421 1.00 0.00 H new ATOM 0 HG LEU A 32 6.159 -0.226 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.549 2.221 -1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.957 1.968 -2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.354 2.272 -3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.809 0.591 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.556 0.612 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.840 -0.931 -2.129 1.00 0.00 H new ATOM 732 N VAL A 41 7.587 -3.196 0.844 1.00 0.00 N ATOM 733 CA VAL A 41 6.569 -2.650 1.773 1.00 0.00 C ATOM 734 C VAL A 41 5.296 -2.207 1.053 1.00 0.00 C ATOM 735 O VAL A 41 5.265 -2.105 -0.168 1.00 0.00 O ATOM 736 CB VAL A 41 7.119 -1.488 2.634 1.00 0.00 C ATOM 737 CG1 VAL A 41 8.202 -1.962 3.607 1.00 0.00 C ATOM 738 CG2 VAL A 41 7.631 -0.310 1.794 1.00 0.00 C ATOM 0 HA VAL A 41 6.312 -3.475 2.437 1.00 0.00 H new ATOM 0 HB VAL A 41 6.270 -1.125 3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.561 -1.115 4.192 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.786 -2.715 4.276 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.031 -2.393 3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.004 0.473 2.454 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.437 -0.650 1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.817 0.085 1.187 1.00 0.00 H new ATOM 748 N TYR A 42 4.241 -1.926 1.816 1.00 0.00 N ATOM 749 CA TYR A 42 2.913 -1.593 1.317 1.00 0.00 C ATOM 750 C TYR A 42 2.541 -0.147 1.627 1.00 0.00 C ATOM 751 O TYR A 42 2.871 0.395 2.686 1.00 0.00 O ATOM 752 CB TYR A 42 1.884 -2.547 1.929 1.00 0.00 C ATOM 753 CG TYR A 42 2.080 -3.985 1.503 1.00 0.00 C ATOM 754 CD1 TYR A 42 2.994 -4.808 2.186 1.00 0.00 C ATOM 755 CD2 TYR A 42 1.369 -4.487 0.400 1.00 0.00 C ATOM 756 CE1 TYR A 42 3.196 -6.134 1.768 1.00 0.00 C ATOM 757 CE2 TYR A 42 1.551 -5.821 0.005 1.00 0.00 C ATOM 758 CZ TYR A 42 2.461 -6.651 0.683 1.00 0.00 C ATOM 759 OH TYR A 42 2.655 -7.929 0.263 1.00 0.00 O ATOM 0 H TYR A 42 4.292 -1.925 2.835 1.00 0.00 H new ATOM 0 HA TYR A 42 2.918 -1.704 0.233 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.942 -2.485 3.016 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.883 -2.223 1.644 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.541 -4.420 3.033 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.686 -3.849 -0.141 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.915 -6.757 2.279 1.00 0.00 H new ATOM 0 HE2 TYR A 42 0.987 -6.214 -0.828 1.00 0.00 H new ATOM 0 HH TYR A 42 2.063 -8.118 -0.495 1.00 0.00 H new ATOM 769 N SER A 43 1.819 0.445 0.676 1.00 0.00 N ATOM 770 CA SER A 43 1.249 1.783 0.692 1.00 0.00 C ATOM 771 C SER A 43 -0.157 1.791 1.320 1.00 0.00 C ATOM 772 O SER A 43 -0.839 0.764 1.413 1.00 0.00 O ATOM 773 CB SER A 43 1.214 2.275 -0.764 1.00 0.00 C ATOM 774 OG SER A 43 0.673 1.274 -1.615 1.00 0.00 O ATOM 0 H SER A 43 1.603 -0.042 -0.194 1.00 0.00 H new ATOM 0 HA SER A 43 1.857 2.447 1.307 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.614 3.182 -0.833 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.221 2.533 -1.091 1.00 0.00 H new ATOM 0 HG SER A 43 0.659 1.602 -2.538 1.00 0.00 H new ATOM 780 N ARG A 44 -0.610 2.975 1.759 1.00 0.00 N ATOM 781 CA ARG A 44 -1.912 3.155 2.423 1.00 0.00 C ATOM 782 C ARG A 44 -3.113 2.926 1.500 1.00 0.00 C ATOM 783 O ARG A 44 -4.111 2.374 1.952 1.00 0.00 O ATOM 784 CB ARG A 44 -1.968 4.533 3.114 1.00 0.00 C ATOM 785 CG ARG A 44 -1.757 4.424 4.639 1.00 0.00 C ATOM 786 CD ARG A 44 -3.023 4.812 5.414 1.00 0.00 C ATOM 787 NE ARG A 44 -3.214 6.275 5.408 1.00 0.00 N ATOM 788 CZ ARG A 44 -4.314 6.953 5.712 1.00 0.00 C ATOM 789 NH1 ARG A 44 -5.447 6.353 5.991 1.00 0.00 N ATOM 790 NH2 ARG A 44 -4.286 8.264 5.746 1.00 0.00 N ATOM 0 H ARG A 44 -0.080 3.841 1.663 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.992 2.376 3.181 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.204 5.184 2.688 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.932 5.000 2.914 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.471 3.404 4.895 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.933 5.071 4.940 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.891 4.326 4.968 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.950 4.455 6.441 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.404 6.832 5.138 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.501 5.335 5.978 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.273 6.905 6.221 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.420 8.761 5.539 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.130 8.786 5.979 1.00 0.00 H new ATOM 804 N GLU A 45 -2.983 3.278 0.222 1.00 0.00 N ATOM 805 CA GLU A 45 -3.845 2.853 -0.893 1.00 0.00 C ATOM 806 C GLU A 45 -4.021 1.324 -0.945 1.00 0.00 C ATOM 807 O GLU A 45 -5.156 0.858 -0.874 1.00 0.00 O ATOM 808 CB GLU A 45 -3.315 3.399 -2.239 1.00 0.00 C ATOM 809 CG GLU A 45 -1.777 3.399 -2.315 1.00 0.00 C ATOM 810 CD GLU A 45 -1.168 3.035 -3.670 1.00 0.00 C ATOM 811 OE1 GLU A 45 -1.691 3.481 -4.713 1.00 0.00 O ATOM 812 OE2 GLU A 45 -0.144 2.306 -3.604 1.00 0.00 O ATOM 0 H GLU A 45 -2.236 3.900 -0.086 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.832 3.279 -0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.715 2.796 -3.054 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.682 4.415 -2.384 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.420 4.390 -2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.397 2.700 -1.570 1.00 0.00 H new ATOM 819 N GLU A 46 -2.938 0.532 -1.021 1.00 0.00 N ATOM 820 CA GLU A 46 -3.045 -0.935 -0.989 1.00 0.00 C ATOM 821 C GLU A 46 -3.726 -1.398 0.306 1.00 0.00 C ATOM 822 O GLU A 46 -4.659 -2.191 0.241 1.00 0.00 O ATOM 823 CB GLU A 46 -1.673 -1.621 -1.156 1.00 0.00 C ATOM 824 CG GLU A 46 -1.097 -1.559 -2.582 1.00 0.00 C ATOM 825 CD GLU A 46 -1.767 -2.549 -3.549 1.00 0.00 C ATOM 826 OE1 GLU A 46 -2.911 -2.277 -3.974 1.00 0.00 O ATOM 827 OE2 GLU A 46 -1.133 -3.584 -3.868 1.00 0.00 O ATOM 0 H GLU A 46 -1.983 0.882 -1.105 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.661 -1.233 -1.837 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.963 -1.157 -0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.765 -2.666 -0.860 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.213 -0.547 -2.970 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.027 -1.765 -2.544 1.00 0.00 H new ATOM 834 N VAL A 47 -3.321 -0.885 1.476 1.00 0.00 N ATOM 835 CA VAL A 47 -3.954 -1.213 2.767 1.00 0.00 C ATOM 836 C VAL A 47 -5.463 -0.931 2.787 1.00 0.00 C ATOM 837 O VAL A 47 -6.229 -1.818 3.173 1.00 0.00 O ATOM 838 CB VAL A 47 -3.213 -0.512 3.926 1.00 0.00 C ATOM 839 CG1 VAL A 47 -4.037 -0.358 5.216 1.00 0.00 C ATOM 840 CG2 VAL A 47 -1.958 -1.320 4.272 1.00 0.00 C ATOM 0 H VAL A 47 -2.544 -0.229 1.557 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.862 -2.290 2.907 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.989 0.493 3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.436 0.145 5.974 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.929 0.233 5.009 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.331 -1.343 5.580 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.426 -0.834 5.090 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.245 -2.327 4.574 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.308 -1.375 3.399 1.00 0.00 H new ATOM 850 N GLU A 48 -5.909 0.278 2.419 1.00 0.00 N ATOM 851 CA GLU A 48 -7.335 0.619 2.450 1.00 0.00 C ATOM 852 C GLU A 48 -8.129 -0.166 1.400 1.00 0.00 C ATOM 853 O GLU A 48 -9.179 -0.718 1.740 1.00 0.00 O ATOM 854 CB GLU A 48 -7.563 2.145 2.423 1.00 0.00 C ATOM 855 CG GLU A 48 -7.451 2.863 1.065 1.00 0.00 C ATOM 856 CD GLU A 48 -8.789 2.901 0.303 1.00 0.00 C ATOM 857 OE1 GLU A 48 -9.732 3.548 0.816 1.00 0.00 O ATOM 858 OE2 GLU A 48 -8.876 2.271 -0.773 1.00 0.00 O ATOM 0 H GLU A 48 -5.303 1.033 2.097 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.741 0.296 3.408 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.556 2.343 2.826 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.846 2.603 3.104 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.099 3.882 1.225 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.703 2.360 0.453 1.00 0.00 H new ATOM 865 N ALA A 49 -7.580 -0.326 0.185 1.00 0.00 N ATOM 866 CA ALA A 49 -8.154 -1.174 -0.852 1.00 0.00 C ATOM 867 C ALA A 49 -8.314 -2.607 -0.339 1.00 0.00 C ATOM 868 O ALA A 49 -9.419 -3.143 -0.371 1.00 0.00 O ATOM 869 CB ALA A 49 -7.284 -1.119 -2.111 1.00 0.00 C ATOM 0 H ALA A 49 -6.717 0.137 -0.100 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.146 -0.805 -1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.719 -1.755 -2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.233 -0.092 -2.474 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.280 -1.470 -1.875 1.00 0.00 H new ATOM 875 N VAL A 50 -7.240 -3.216 0.184 1.00 0.00 N ATOM 876 CA VAL A 50 -7.256 -4.560 0.769 1.00 0.00 C ATOM 877 C VAL A 50 -8.273 -4.671 1.889 1.00 0.00 C ATOM 878 O VAL A 50 -9.035 -5.628 1.867 1.00 0.00 O ATOM 879 CB VAL A 50 -5.880 -4.986 1.294 1.00 0.00 C ATOM 880 CG1 VAL A 50 -5.957 -6.299 2.089 1.00 0.00 C ATOM 881 CG2 VAL A 50 -4.914 -5.242 0.146 1.00 0.00 C ATOM 0 H VAL A 50 -6.319 -2.778 0.212 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.539 -5.232 -0.041 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.537 -4.169 1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.962 -6.568 2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.624 -6.170 2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.339 -7.092 1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.945 -5.543 0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.307 -6.036 -0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.797 -4.331 -0.441 1.00 0.00 H new ATOM 891 N ARG A 51 -8.317 -3.737 2.851 1.00 0.00 N ATOM 892 CA ARG A 51 -9.336 -3.748 3.912 1.00 0.00 C ATOM 893 C ARG A 51 -10.743 -3.820 3.301 1.00 0.00 C ATOM 894 O ARG A 51 -11.550 -4.657 3.714 1.00 0.00 O ATOM 895 CB ARG A 51 -9.159 -2.518 4.821 1.00 0.00 C ATOM 896 CG ARG A 51 -10.129 -2.545 6.018 1.00 0.00 C ATOM 897 CD ARG A 51 -10.590 -1.147 6.450 1.00 0.00 C ATOM 898 NE ARG A 51 -9.708 -0.543 7.464 1.00 0.00 N ATOM 899 CZ ARG A 51 -10.021 0.482 8.249 1.00 0.00 C ATOM 900 NH1 ARG A 51 -11.137 1.158 8.091 1.00 0.00 N ATOM 901 NH2 ARG A 51 -9.219 0.846 9.220 1.00 0.00 N ATOM 0 H ARG A 51 -7.657 -2.962 2.916 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.209 -4.636 4.531 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.133 -2.481 5.186 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.324 -1.610 4.240 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.001 -3.145 5.758 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.644 -3.038 6.860 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.630 -0.497 5.576 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.603 -1.210 6.847 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.777 -0.946 7.573 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.789 0.900 7.350 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.351 1.941 8.709 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.347 0.341 9.377 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.467 1.634 9.818 1.00 0.00 H new ATOM 915 N ARG A 52 -11.021 -2.973 2.301 1.00 0.00 N ATOM 916 CA ARG A 52 -12.276 -2.955 1.541 1.00 0.00 C ATOM 917 C ARG A 52 -12.547 -4.307 0.871 1.00 0.00 C ATOM 918 O ARG A 52 -13.560 -4.931 1.180 1.00 0.00 O ATOM 919 CB ARG A 52 -12.241 -1.780 0.545 1.00 0.00 C ATOM 920 CG ARG A 52 -13.582 -1.047 0.452 1.00 0.00 C ATOM 921 CD ARG A 52 -13.387 0.227 -0.378 1.00 0.00 C ATOM 922 NE ARG A 52 -14.673 0.877 -0.679 1.00 0.00 N ATOM 923 CZ ARG A 52 -14.863 2.153 -0.986 1.00 0.00 C ATOM 924 NH1 ARG A 52 -13.892 3.038 -0.952 1.00 0.00 N ATOM 925 NH2 ARG A 52 -16.061 2.561 -1.339 1.00 0.00 N ATOM 0 H ARG A 52 -10.359 -2.261 1.990 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.116 -2.798 2.218 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.466 -1.075 0.847 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -11.966 -2.153 -0.442 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.332 -1.688 -0.010 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -13.946 -0.797 1.448 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.745 0.921 0.165 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.876 -0.019 -1.309 1.00 0.00 H new ATOM 0 HE ARG A 52 -15.503 0.285 -0.648 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.951 2.752 -0.682 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -14.080 4.011 -1.196 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.835 1.898 -1.375 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -16.217 3.541 -1.577 1.00 0.00 H new ATOM 939 N VAL A 53 -11.627 -4.784 0.021 1.00 0.00 N ATOM 940 CA VAL A 53 -11.667 -6.087 -0.664 1.00 0.00 C ATOM 941 C VAL A 53 -11.910 -7.220 0.343 1.00 0.00 C ATOM 942 O VAL A 53 -12.886 -7.951 0.224 1.00 0.00 O ATOM 943 CB VAL A 53 -10.388 -6.311 -1.516 1.00 0.00 C ATOM 944 CG1 VAL A 53 -10.355 -7.706 -2.152 1.00 0.00 C ATOM 945 CG2 VAL A 53 -10.245 -5.263 -2.636 1.00 0.00 C ATOM 0 H VAL A 53 -10.794 -4.247 -0.220 1.00 0.00 H new ATOM 0 HA VAL A 53 -12.507 -6.090 -1.359 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.555 -6.211 -0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.443 -7.817 -2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.378 -8.464 -1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.221 -7.830 -2.802 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.336 -5.460 -3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.108 -5.319 -3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.189 -4.267 -2.197 1.00 0.00 H new ATOM 955 N ALA A 54 -11.078 -7.335 1.379 1.00 0.00 N ATOM 956 CA ALA A 54 -11.163 -8.323 2.449 1.00 0.00 C ATOM 957 C ALA A 54 -12.512 -8.335 3.177 1.00 0.00 C ATOM 958 O ALA A 54 -12.947 -9.410 3.595 1.00 0.00 O ATOM 959 CB ALA A 54 -10.034 -8.046 3.449 1.00 0.00 C ATOM 0 H ALA A 54 -10.284 -6.706 1.498 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.064 -9.308 1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.079 -8.774 4.259 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.072 -8.125 2.943 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.148 -7.042 3.857 1.00 0.00 H new ATOM 965 N ARG A 55 -13.160 -7.175 3.366 1.00 0.00 N ATOM 966 CA ARG A 55 -14.502 -7.091 3.957 1.00 0.00 C ATOM 967 C ARG A 55 -15.613 -7.358 2.934 1.00 0.00 C ATOM 968 O ARG A 55 -16.631 -7.927 3.310 1.00 0.00 O ATOM 969 CB ARG A 55 -14.648 -5.747 4.692 1.00 0.00 C ATOM 970 CG ARG A 55 -15.836 -5.725 5.675 1.00 0.00 C ATOM 971 CD ARG A 55 -17.085 -5.034 5.115 1.00 0.00 C ATOM 972 NE ARG A 55 -16.877 -3.579 4.994 1.00 0.00 N ATOM 973 CZ ARG A 55 -17.684 -2.705 4.409 1.00 0.00 C ATOM 974 NH1 ARG A 55 -18.800 -3.071 3.823 1.00 0.00 N ATOM 975 NH2 ARG A 55 -17.375 -1.428 4.413 1.00 0.00 N ATOM 0 H ARG A 55 -12.767 -6.269 3.113 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.619 -7.888 4.691 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.728 -5.535 5.237 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -14.775 -4.950 3.959 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -16.090 -6.749 5.948 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.530 -5.218 6.590 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -17.329 -5.452 4.138 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -17.936 -5.230 5.767 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.021 -3.205 5.404 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -19.070 -4.055 3.808 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -19.398 -2.372 3.382 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.517 -1.112 4.865 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -17.993 -0.752 3.964 1.00 0.00 H new ATOM 989 N LEU A 56 -15.399 -7.048 1.650 1.00 0.00 N ATOM 990 CA LEU A 56 -16.232 -7.501 0.529 1.00 0.00 C ATOM 991 C LEU A 56 -16.209 -9.037 0.373 1.00 0.00 C ATOM 992 O LEU A 56 -17.255 -9.642 0.154 1.00 0.00 O ATOM 993 CB LEU A 56 -15.767 -6.816 -0.777 1.00 0.00 C ATOM 994 CG LEU A 56 -16.645 -5.687 -1.345 1.00 0.00 C ATOM 995 CD1 LEU A 56 -18.064 -6.160 -1.663 1.00 0.00 C ATOM 996 CD2 LEU A 56 -16.686 -4.468 -0.422 1.00 0.00 C ATOM 0 H LEU A 56 -14.621 -6.459 1.354 1.00 0.00 H new ATOM 0 HA LEU A 56 -17.263 -7.217 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.769 -6.411 -0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.672 -7.585 -1.544 1.00 0.00 H new ATOM 0 HG LEU A 56 -16.175 -5.386 -2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -18.644 -5.328 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -18.024 -6.960 -2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -18.537 -6.530 -0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -17.318 -3.698 -0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -17.093 -4.759 0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.677 -4.078 -0.289 1.00 0.00 H new ATOM 1008 N ILE A 57 -15.043 -9.687 0.529 1.00 0.00 N ATOM 1009 CA ILE A 57 -14.903 -11.156 0.499 1.00 0.00 C ATOM 1010 C ILE A 57 -15.874 -11.841 1.474 1.00 0.00 C ATOM 1011 O ILE A 57 -16.422 -12.888 1.138 1.00 0.00 O ATOM 1012 CB ILE A 57 -13.426 -11.597 0.720 1.00 0.00 C ATOM 1013 CG1 ILE A 57 -12.689 -11.788 -0.625 1.00 0.00 C ATOM 1014 CG2 ILE A 57 -13.259 -12.917 1.500 1.00 0.00 C ATOM 1015 CD1 ILE A 57 -12.183 -10.484 -1.224 1.00 0.00 C ATOM 0 H ILE A 57 -14.159 -9.202 0.682 1.00 0.00 H new ATOM 0 HA ILE A 57 -15.181 -11.490 -0.500 1.00 0.00 H new ATOM 0 HB ILE A 57 -13.002 -10.785 1.311 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -11.846 -12.463 -0.477 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -13.362 -12.269 -1.335 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -12.198 -13.145 1.606 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.709 -12.815 2.488 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -13.751 -13.725 0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.676 -10.689 -2.167 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -13.025 -9.815 -1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.486 -10.012 -0.532 1.00 0.00 H new ATOM 1027 N GLN A 58 -16.130 -11.245 2.646 1.00 0.00 N ATOM 1028 CA GLN A 58 -17.098 -11.766 3.617 1.00 0.00 C ATOM 1029 C GLN A 58 -18.553 -11.780 3.121 1.00 0.00 C ATOM 1030 O GLN A 58 -19.369 -12.465 3.733 1.00 0.00 O ATOM 1031 CB GLN A 58 -16.978 -10.992 4.947 1.00 0.00 C ATOM 1032 CG GLN A 58 -16.012 -11.661 5.932 1.00 0.00 C ATOM 1033 CD GLN A 58 -16.583 -12.941 6.539 1.00 0.00 C ATOM 1034 OE1 GLN A 58 -17.329 -12.911 7.503 1.00 0.00 O ATOM 1035 NE2 GLN A 58 -16.228 -14.108 6.037 1.00 0.00 N ATOM 0 H GLN A 58 -15.670 -10.386 2.947 1.00 0.00 H new ATOM 0 HA GLN A 58 -16.840 -12.814 3.769 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -16.638 -9.977 4.743 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -17.963 -10.912 5.407 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -15.078 -11.892 5.419 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -15.772 -10.960 6.732 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -15.605 -14.148 5.231 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -16.577 -14.970 6.455 1.00 0.00 H new ATOM 1044 N GLU A 59 -18.889 -11.090 2.022 1.00 0.00 N ATOM 1045 CA GLU A 59 -20.242 -11.108 1.452 1.00 0.00 C ATOM 1046 C GLU A 59 -20.436 -12.217 0.400 1.00 0.00 C ATOM 1047 O GLU A 59 -21.574 -12.590 0.133 1.00 0.00 O ATOM 1048 CB GLU A 59 -20.602 -9.724 0.874 1.00 0.00 C ATOM 1049 CG GLU A 59 -20.347 -8.592 1.887 1.00 0.00 C ATOM 1050 CD GLU A 59 -21.103 -7.302 1.552 1.00 0.00 C ATOM 1051 OE1 GLU A 59 -20.572 -6.506 0.746 1.00 0.00 O ATOM 1052 OE2 GLU A 59 -22.179 -7.091 2.151 1.00 0.00 O ATOM 0 H GLU A 59 -18.232 -10.506 1.505 1.00 0.00 H new ATOM 0 HA GLU A 59 -20.927 -11.339 2.268 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -20.015 -9.543 -0.027 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.651 -9.716 0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -20.640 -8.930 2.881 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -19.278 -8.380 1.924 1.00 0.00 H new ATOM 1059 N GLU A 60 -19.350 -12.766 -0.169 1.00 0.00 N ATOM 1060 CA GLU A 60 -19.381 -13.877 -1.137 1.00 0.00 C ATOM 1061 C GLU A 60 -17.996 -14.538 -1.259 1.00 0.00 C ATOM 1062 O GLU A 60 -17.819 -15.703 -0.913 1.00 0.00 O ATOM 1063 CB GLU A 60 -19.850 -13.364 -2.519 1.00 0.00 C ATOM 1064 CG GLU A 60 -19.885 -14.449 -3.616 1.00 0.00 C ATOM 1065 CD GLU A 60 -21.303 -14.931 -3.936 1.00 0.00 C ATOM 1066 OE1 GLU A 60 -21.897 -15.590 -3.056 1.00 0.00 O ATOM 1067 OE2 GLU A 60 -21.758 -14.651 -5.067 1.00 0.00 O ATOM 0 H GLU A 60 -18.404 -12.443 0.035 1.00 0.00 H new ATOM 0 HA GLU A 60 -20.086 -14.626 -0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -20.847 -12.935 -2.416 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -19.188 -12.560 -2.840 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -19.428 -14.055 -4.524 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -19.281 -15.299 -3.298 1.00 0.00 H new ATOM 1074 N GLY A 61 -17.030 -13.796 -1.820 1.00 0.00 N ATOM 1075 CA GLY A 61 -15.699 -14.277 -2.200 1.00 0.00 C ATOM 1076 C GLY A 61 -15.320 -13.934 -3.648 1.00 0.00 C ATOM 1077 O GLY A 61 -14.143 -13.725 -3.929 1.00 0.00 O ATOM 0 H GLY A 61 -17.162 -12.806 -2.028 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.958 -13.846 -1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -15.660 -15.358 -2.068 1.00 0.00 H new ATOM 1081 N LEU A 62 -16.301 -13.774 -4.551 1.00 0.00 N ATOM 1082 CA LEU A 62 -16.118 -13.288 -5.932 1.00 0.00 C ATOM 1083 C LEU A 62 -15.280 -11.999 -5.982 1.00 0.00 C ATOM 1084 O LEU A 62 -14.397 -11.857 -6.832 1.00 0.00 O ATOM 1085 CB LEU A 62 -17.515 -13.111 -6.561 1.00 0.00 C ATOM 1086 CG LEU A 62 -17.620 -12.233 -7.825 1.00 0.00 C ATOM 1087 CD1 LEU A 62 -16.773 -12.720 -9.006 1.00 0.00 C ATOM 1088 CD2 LEU A 62 -19.082 -12.190 -8.274 1.00 0.00 C ATOM 0 H LEU A 62 -17.275 -13.986 -4.335 1.00 0.00 H new ATOM 0 HA LEU A 62 -15.551 -14.017 -6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -17.902 -14.100 -6.805 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -18.175 -12.689 -5.803 1.00 0.00 H new ATOM 0 HG LEU A 62 -17.237 -11.251 -7.545 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.906 -12.046 -9.852 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.722 -12.737 -8.717 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -17.088 -13.724 -9.290 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -19.170 -11.572 -9.168 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -19.424 -13.201 -8.497 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -19.695 -11.767 -7.478 1.00 0.00 H new ATOM 1100 N SER A 63 -15.498 -11.104 -5.013 1.00 0.00 N ATOM 1101 CA SER A 63 -14.722 -9.881 -4.804 1.00 0.00 C ATOM 1102 C SER A 63 -13.211 -10.074 -4.644 1.00 0.00 C ATOM 1103 O SER A 63 -12.507 -9.073 -4.719 1.00 0.00 O ATOM 1104 CB SER A 63 -15.284 -9.101 -3.620 1.00 0.00 C ATOM 1105 OG SER A 63 -16.436 -8.388 -4.020 1.00 0.00 O ATOM 0 H SER A 63 -16.247 -11.217 -4.329 1.00 0.00 H new ATOM 0 HA SER A 63 -14.832 -9.316 -5.730 1.00 0.00 H new ATOM 0 HB2 SER A 63 -15.532 -9.784 -2.807 1.00 0.00 H new ATOM 0 HB3 SER A 63 -14.532 -8.410 -3.238 1.00 0.00 H new ATOM 0 HG SER A 63 -16.358 -7.454 -3.734 1.00 0.00 H new ATOM 1111 N VAL A 64 -12.684 -11.303 -4.524 1.00 0.00 N ATOM 1112 CA VAL A 64 -11.274 -11.581 -4.824 1.00 0.00 C ATOM 1113 C VAL A 64 -10.942 -11.087 -6.238 1.00 0.00 C ATOM 1114 O VAL A 64 -10.253 -10.086 -6.382 1.00 0.00 O ATOM 1115 CB VAL A 64 -10.931 -13.074 -4.636 1.00 0.00 C ATOM 1116 CG1 VAL A 64 -9.521 -13.369 -5.142 1.00 0.00 C ATOM 1117 CG2 VAL A 64 -10.968 -13.505 -3.167 1.00 0.00 C ATOM 0 H VAL A 64 -13.215 -12.119 -4.221 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.652 -11.037 -4.114 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.685 -13.623 -5.200 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.298 -14.426 -5.001 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.456 -13.123 -6.202 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.802 -12.769 -4.585 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.719 -14.564 -3.092 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.244 -12.921 -2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.967 -13.338 -2.764 1.00 0.00 H new ATOM 1127 N SER A 65 -11.440 -11.752 -7.288 1.00 0.00 N ATOM 1128 CA SER A 65 -11.229 -11.289 -8.664 1.00 0.00 C ATOM 1129 C SER A 65 -11.915 -9.942 -8.898 1.00 0.00 C ATOM 1130 O SER A 65 -11.314 -9.052 -9.498 1.00 0.00 O ATOM 1131 CB SER A 65 -11.748 -12.315 -9.676 1.00 0.00 C ATOM 1132 OG SER A 65 -10.787 -13.319 -9.944 1.00 0.00 O ATOM 0 H SER A 65 -11.989 -12.608 -7.211 1.00 0.00 H new ATOM 0 HA SER A 65 -10.155 -11.168 -8.807 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.658 -12.776 -9.293 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.014 -11.809 -10.604 1.00 0.00 H new ATOM 0 HG SER A 65 -11.152 -13.957 -10.592 1.00 0.00 H new ATOM 1138 N GLU A 66 -13.159 -9.783 -8.423 1.00 0.00 N ATOM 1139 CA GLU A 66 -13.964 -8.598 -8.717 1.00 0.00 C ATOM 1140 C GLU A 66 -13.359 -7.312 -8.152 1.00 0.00 C ATOM 1141 O GLU A 66 -13.089 -6.400 -8.927 1.00 0.00 O ATOM 1142 CB GLU A 66 -15.419 -8.763 -8.244 1.00 0.00 C ATOM 1143 CG GLU A 66 -16.412 -8.569 -9.393 1.00 0.00 C ATOM 1144 CD GLU A 66 -17.794 -8.158 -8.877 1.00 0.00 C ATOM 1145 OE1 GLU A 66 -18.256 -8.763 -7.883 1.00 0.00 O ATOM 1146 OE2 GLU A 66 -18.333 -7.190 -9.460 1.00 0.00 O ATOM 0 H GLU A 66 -13.628 -10.468 -7.830 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.965 -8.503 -9.803 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.551 -9.755 -7.812 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.630 -8.041 -7.455 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.036 -7.807 -10.076 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.496 -9.494 -9.963 1.00 0.00 H new ATOM 1153 N ALA A 67 -13.138 -7.208 -6.834 1.00 0.00 N ATOM 1154 CA ALA A 67 -12.692 -5.954 -6.237 1.00 0.00 C ATOM 1155 C ALA A 67 -11.227 -5.633 -6.589 1.00 0.00 C ATOM 1156 O ALA A 67 -10.871 -4.458 -6.672 1.00 0.00 O ATOM 1157 CB ALA A 67 -12.969 -5.952 -4.733 1.00 0.00 C ATOM 0 H ALA A 67 -13.261 -7.973 -6.171 1.00 0.00 H new ATOM 0 HA ALA A 67 -13.273 -5.140 -6.670 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -12.631 -5.010 -4.302 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -14.039 -6.067 -4.560 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -12.435 -6.778 -4.264 1.00 0.00 H new ATOM 1163 N ILE A 68 -10.400 -6.650 -6.897 1.00 0.00 N ATOM 1164 CA ILE A 68 -9.093 -6.457 -7.541 1.00 0.00 C ATOM 1165 C ILE A 68 -9.278 -5.843 -8.937 1.00 0.00 C ATOM 1166 O ILE A 68 -8.704 -4.792 -9.210 1.00 0.00 O ATOM 1167 CB ILE A 68 -8.259 -7.763 -7.574 1.00 0.00 C ATOM 1168 CG1 ILE A 68 -7.889 -8.173 -6.130 1.00 0.00 C ATOM 1169 CG2 ILE A 68 -6.964 -7.561 -8.391 1.00 0.00 C ATOM 1170 CD1 ILE A 68 -7.178 -9.532 -5.999 1.00 0.00 C ATOM 0 H ILE A 68 -10.622 -7.627 -6.705 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.516 -5.755 -6.939 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.855 -8.545 -8.045 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.247 -7.402 -5.703 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.799 -8.198 -5.531 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.392 -8.489 -8.402 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.219 -7.279 -9.413 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.366 -6.772 -7.935 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.961 -9.729 -4.949 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.823 -10.319 -6.390 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.247 -9.511 -6.565 1.00 0.00 H new ATOM 1182 N ALA A 69 -10.070 -6.456 -9.827 1.00 0.00 N ATOM 1183 CA ALA A 69 -10.313 -5.908 -11.164 1.00 0.00 C ATOM 1184 C ALA A 69 -10.934 -4.499 -11.117 1.00 0.00 C ATOM 1185 O ALA A 69 -10.497 -3.617 -11.856 1.00 0.00 O ATOM 1186 CB ALA A 69 -11.173 -6.890 -11.965 1.00 0.00 C ATOM 0 H ALA A 69 -10.554 -7.335 -9.642 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.354 -5.787 -11.668 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -11.356 -6.485 -12.960 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.652 -7.844 -12.051 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -12.124 -7.041 -11.454 1.00 0.00 H new ATOM 1192 N GLN A 70 -11.886 -4.263 -10.207 1.00 0.00 N ATOM 1193 CA GLN A 70 -12.456 -2.949 -9.902 1.00 0.00 C ATOM 1194 C GLN A 70 -11.355 -1.957 -9.495 1.00 0.00 C ATOM 1195 O GLN A 70 -11.170 -0.968 -10.198 1.00 0.00 O ATOM 1196 CB GLN A 70 -13.551 -3.069 -8.832 1.00 0.00 C ATOM 1197 CG GLN A 70 -14.830 -3.775 -9.339 1.00 0.00 C ATOM 1198 CD GLN A 70 -15.729 -4.272 -8.201 1.00 0.00 C ATOM 1199 OE1 GLN A 70 -15.596 -3.885 -7.049 1.00 0.00 O ATOM 1200 NE2 GLN A 70 -16.677 -5.155 -8.451 1.00 0.00 N ATOM 0 H GLN A 70 -12.294 -5.009 -9.644 1.00 0.00 H new ATOM 0 HA GLN A 70 -12.926 -2.554 -10.803 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.156 -3.619 -7.978 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.812 -2.072 -8.476 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.395 -3.086 -9.967 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -14.548 -4.620 -9.967 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -16.816 -5.499 -9.401 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -17.271 -5.493 -7.694 1.00 0.00 H new ATOM 1209 N VAL A 71 -10.568 -2.220 -8.438 1.00 0.00 N ATOM 1210 CA VAL A 71 -9.497 -1.299 -8.006 1.00 0.00 C ATOM 1211 C VAL A 71 -8.337 -1.179 -9.016 1.00 0.00 C ATOM 1212 O VAL A 71 -7.573 -0.218 -8.957 1.00 0.00 O ATOM 1213 CB VAL A 71 -9.030 -1.619 -6.567 1.00 0.00 C ATOM 1214 CG1 VAL A 71 -7.941 -2.701 -6.473 1.00 0.00 C ATOM 1215 CG2 VAL A 71 -8.525 -0.357 -5.858 1.00 0.00 C ATOM 0 H VAL A 71 -10.651 -3.061 -7.866 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.933 -0.300 -7.984 1.00 0.00 H new ATOM 0 HB VAL A 71 -9.919 -2.014 -6.075 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.675 -2.860 -5.428 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.316 -3.632 -6.898 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.059 -2.379 -7.027 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.203 -0.611 -4.848 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.685 0.060 -6.413 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.328 0.378 -5.808 1.00 0.00 H new ATOM 1225 N LYS A 72 -8.213 -2.103 -9.983 1.00 0.00 N ATOM 1226 CA LYS A 72 -7.339 -1.959 -11.160 1.00 0.00 C ATOM 1227 C LYS A 72 -7.925 -1.031 -12.238 1.00 0.00 C ATOM 1228 O LYS A 72 -7.138 -0.364 -12.905 1.00 0.00 O ATOM 1229 CB LYS A 72 -7.027 -3.331 -11.784 1.00 0.00 C ATOM 1230 CG LYS A 72 -6.213 -4.294 -10.894 1.00 0.00 C ATOM 1231 CD LYS A 72 -4.752 -4.464 -11.335 1.00 0.00 C ATOM 1232 CE LYS A 72 -3.880 -3.240 -11.029 1.00 0.00 C ATOM 1233 NZ LYS A 72 -3.662 -3.073 -9.569 1.00 0.00 N ATOM 0 H LYS A 72 -8.725 -2.985 -9.969 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.421 -1.500 -10.794 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.968 -3.814 -12.047 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.480 -3.172 -12.713 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.232 -3.928 -9.867 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.698 -5.270 -10.893 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.329 -5.337 -10.838 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.724 -4.663 -12.406 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.918 -3.343 -11.531 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.355 -2.345 -11.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.937 -2.345 -9.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.552 -2.782 -9.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.344 -3.975 -9.160 1.00 0.00 H new ATOM 1247 N THR A 73 -9.254 -0.992 -12.438 1.00 0.00 N ATOM 1248 CA THR A 73 -9.899 -0.110 -13.435 1.00 0.00 C ATOM 1249 C THR A 73 -10.415 1.223 -12.877 1.00 0.00 C ATOM 1250 O THR A 73 -10.679 2.126 -13.671 1.00 0.00 O ATOM 1251 CB THR A 73 -11.028 -0.813 -14.212 1.00 0.00 C ATOM 1252 OG1 THR A 73 -11.390 0.017 -15.293 1.00 0.00 O ATOM 1253 CG2 THR A 73 -12.305 -1.082 -13.413 1.00 0.00 C ATOM 0 H THR A 73 -9.913 -1.569 -11.915 1.00 0.00 H new ATOM 0 HA THR A 73 -9.085 0.126 -14.120 1.00 0.00 H new ATOM 0 HB THR A 73 -10.628 -1.784 -14.503 1.00 0.00 H new ATOM 0 HG1 THR A 73 -11.359 0.955 -15.010 1.00 0.00 H new ATOM 0 HG21 THR A 73 -13.035 -1.579 -14.051 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.073 -1.721 -12.561 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.717 -0.138 -13.057 1.00 0.00 H new ATOM 1261 N GLU A 74 -10.598 1.355 -11.563 1.00 0.00 N ATOM 1262 CA GLU A 74 -10.864 2.628 -10.892 1.00 0.00 C ATOM 1263 C GLU A 74 -9.589 3.491 -10.792 1.00 0.00 C ATOM 1264 O GLU A 74 -8.475 2.962 -10.813 1.00 0.00 O ATOM 1265 CB GLU A 74 -11.428 2.373 -9.481 1.00 0.00 C ATOM 1266 CG GLU A 74 -12.936 2.092 -9.500 1.00 0.00 C ATOM 1267 CD GLU A 74 -13.501 2.075 -8.076 1.00 0.00 C ATOM 1268 OE1 GLU A 74 -13.851 3.173 -7.585 1.00 0.00 O ATOM 1269 OE2 GLU A 74 -13.571 0.970 -7.492 1.00 0.00 O ATOM 0 H GLU A 74 -10.565 0.563 -10.921 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.597 3.172 -11.488 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.908 1.527 -9.032 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.230 3.240 -8.851 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.446 2.854 -10.090 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.127 1.134 -9.984 1.00 0.00 H new