USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 454 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 107 SER OG : rot 64:sc= 2.03 USER MOD Set 1.2: A 122 TYR OH : rot 25:sc= 1.08 USER MOD Set 2.1: A 76 LYS NZ :NH3+ -153:sc= 2.23 (180deg=-0.0742) USER MOD Set 2.2: A 118 TYR OH : rot 151:sc= 0.983 USER MOD Set 3.1: A 102 THR OG1 : rot 180:sc= 0.959 USER MOD Set 3.2: A 105 GLN : amide:sc= 0.515 X(o=1.5,f=1.5) USER MOD Single : A 72 LYS NZ :NH3+ -163:sc= 2.17 (180deg=1.79) USER MOD Single : A 77 LYS NZ :NH3+ -167:sc= 1.02 (180deg=0.829) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -148:sc= -0.55 (180deg=-3.28!) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 98:sc= 1.25 USER MOD Single : A 88 LYS NZ :NH3+ -178:sc= 1.4 (180deg=1.35) USER MOD Single : A 93 TYR OH : rot 165:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.42 K(o=-0.42,f=-1.7) USER MOD Single : A 95 LYS NZ :NH3+ 149:sc= -1.65 (180deg=-3.28!) USER MOD Single : A 99 LYS NZ :NH3+ -179:sc= 1.01 (180deg=0.878) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ -144:sc= -3.18! (180deg=-5.97!) USER MOD Single : A 123 ASN : amide:sc= 1.13 K(o=1.1,f=-0.19) USER MOD Single : A 125 TYR OH : rot -179:sc= 0.449 USER MOD Single : A 126 MET CE :methyl -143:sc= -0.222 (180deg=-0.73) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0.00462 USER MOD Single : A 128 TYR OH : rot 148:sc= -2.31! USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 71 7.958 -8.839 0.992 1.00 0.00 N ATOM 152 CA GLU A 71 7.525 -7.492 0.625 1.00 0.00 C ATOM 153 C GLU A 71 6.046 -7.260 0.970 1.00 0.00 C ATOM 154 O GLU A 71 5.679 -6.216 1.503 1.00 0.00 O ATOM 155 CB GLU A 71 7.864 -7.149 -0.849 1.00 0.00 C ATOM 156 CG GLU A 71 6.991 -7.805 -1.916 1.00 0.00 C ATOM 157 CD GLU A 71 6.888 -9.308 -1.800 1.00 0.00 C ATOM 158 OE1 GLU A 71 7.884 -9.992 -1.950 1.00 0.00 O ATOM 159 OE2 GLU A 71 5.787 -9.800 -1.504 1.00 0.00 O ATOM 0 HA GLU A 71 8.097 -6.790 1.232 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.799 -6.068 -0.972 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.901 -7.430 -1.036 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.989 -7.379 -1.861 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.390 -7.555 -2.899 1.00 0.00 H new ATOM 166 N LYS A 72 5.221 -8.247 0.694 1.00 0.00 N ATOM 167 CA LYS A 72 3.815 -8.222 1.061 1.00 0.00 C ATOM 168 C LYS A 72 3.640 -8.095 2.570 1.00 0.00 C ATOM 169 O LYS A 72 2.765 -7.377 3.051 1.00 0.00 O ATOM 170 CB LYS A 72 3.099 -9.463 0.508 1.00 0.00 C ATOM 171 CG LYS A 72 3.894 -10.763 0.645 1.00 0.00 C ATOM 172 CD LYS A 72 3.179 -11.953 -0.011 1.00 0.00 C ATOM 173 CE LYS A 72 2.722 -11.660 -1.460 1.00 0.00 C ATOM 174 NZ LYS A 72 3.821 -11.304 -2.405 1.00 0.00 N ATOM 0 H LYS A 72 5.505 -9.096 0.206 1.00 0.00 H new ATOM 0 HA LYS A 72 3.356 -7.341 0.613 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.146 -9.578 1.024 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.873 -9.298 -0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.876 -10.636 0.190 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.058 -10.977 1.701 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.847 -12.814 -0.014 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.311 -12.224 0.590 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.201 -12.536 -1.845 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.001 -10.843 -1.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.419 -10.852 -3.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.479 -10.646 -1.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.333 -12.166 -2.683 1.00 0.00 H new ATOM 188 N ALA A 73 4.531 -8.732 3.307 1.00 0.00 N ATOM 189 CA ALA A 73 4.515 -8.699 4.758 1.00 0.00 C ATOM 190 C ALA A 73 4.960 -7.328 5.279 1.00 0.00 C ATOM 191 O ALA A 73 4.751 -6.994 6.453 1.00 0.00 O ATOM 192 CB ALA A 73 5.377 -9.813 5.334 1.00 0.00 C ATOM 0 H ALA A 73 5.290 -9.289 2.914 1.00 0.00 H new ATOM 0 HA ALA A 73 3.490 -8.864 5.090 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.350 -9.768 6.423 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.995 -10.778 5.001 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.405 -9.692 4.992 1.00 0.00 H new ATOM 198 N ALA A 74 5.626 -6.580 4.433 1.00 0.00 N ATOM 199 CA ALA A 74 6.046 -5.231 4.740 1.00 0.00 C ATOM 200 C ALA A 74 4.911 -4.253 4.435 1.00 0.00 C ATOM 201 O ALA A 74 4.483 -3.492 5.311 1.00 0.00 O ATOM 202 CB ALA A 74 7.293 -4.878 3.934 1.00 0.00 C ATOM 0 H ALA A 74 5.896 -6.893 3.500 1.00 0.00 H new ATOM 0 HA ALA A 74 6.289 -5.161 5.800 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.603 -3.860 4.171 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.097 -5.570 4.185 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.071 -4.951 2.869 1.00 0.00 H new ATOM 208 N VAL A 75 4.396 -4.324 3.209 1.00 0.00 N ATOM 209 CA VAL A 75 3.339 -3.423 2.732 1.00 0.00 C ATOM 210 C VAL A 75 2.065 -3.522 3.592 1.00 0.00 C ATOM 211 O VAL A 75 1.423 -2.504 3.866 1.00 0.00 O ATOM 212 CB VAL A 75 3.003 -3.672 1.230 1.00 0.00 C ATOM 213 CG1 VAL A 75 1.910 -2.724 0.742 1.00 0.00 C ATOM 214 CG2 VAL A 75 4.253 -3.508 0.371 1.00 0.00 C ATOM 0 H VAL A 75 4.698 -5.007 2.515 1.00 0.00 H new ATOM 0 HA VAL A 75 3.730 -2.410 2.829 1.00 0.00 H new ATOM 0 HB VAL A 75 2.636 -4.694 1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.698 -2.923 -0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.005 -2.879 1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.245 -1.693 0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.002 -3.685 -0.675 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.642 -2.496 0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.010 -4.225 0.689 1.00 0.00 H new ATOM 224 N LYS A 76 1.728 -4.740 4.062 1.00 0.00 N ATOM 225 CA LYS A 76 0.546 -4.934 4.932 1.00 0.00 C ATOM 226 C LYS A 76 0.590 -4.061 6.177 1.00 0.00 C ATOM 227 O LYS A 76 -0.445 -3.649 6.680 1.00 0.00 O ATOM 228 CB LYS A 76 0.383 -6.377 5.385 1.00 0.00 C ATOM 229 CG LYS A 76 -0.067 -7.342 4.324 1.00 0.00 C ATOM 230 CD LYS A 76 -0.332 -8.695 4.950 1.00 0.00 C ATOM 231 CE LYS A 76 -0.840 -9.705 3.945 1.00 0.00 C ATOM 232 NZ LYS A 76 -2.048 -9.225 3.239 1.00 0.00 N ATOM 0 H LYS A 76 2.248 -5.594 3.859 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.302 -4.647 4.310 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.336 -6.723 5.786 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.336 -6.403 6.204 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.970 -6.971 3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.696 -7.431 3.551 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.586 -9.068 5.404 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.062 -8.585 5.752 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.056 -9.919 3.218 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.066 -10.642 4.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.616 -10.039 2.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.613 -8.632 3.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.766 -8.665 2.409 1.00 0.00 H new ATOM 246 N LYS A 77 1.786 -3.778 6.661 1.00 0.00 N ATOM 247 CA LYS A 77 1.964 -2.964 7.861 1.00 0.00 C ATOM 248 C LYS A 77 1.565 -1.542 7.592 1.00 0.00 C ATOM 249 O LYS A 77 0.882 -0.915 8.401 1.00 0.00 O ATOM 250 CB LYS A 77 3.409 -3.033 8.370 1.00 0.00 C ATOM 251 CG LYS A 77 3.731 -4.221 9.287 1.00 0.00 C ATOM 252 CD LYS A 77 3.202 -5.549 8.753 1.00 0.00 C ATOM 253 CE LYS A 77 3.786 -6.735 9.494 1.00 0.00 C ATOM 254 NZ LYS A 77 5.227 -6.896 9.184 1.00 0.00 N ATOM 0 H LYS A 77 2.658 -4.100 6.241 1.00 0.00 H new ATOM 0 HA LYS A 77 1.317 -3.366 8.641 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.077 -3.069 7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.631 -2.111 8.908 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.811 -4.292 9.414 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.305 -4.037 10.273 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.116 -5.567 8.840 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.438 -5.633 7.692 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.654 -6.599 10.567 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.247 -7.642 9.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.552 -7.826 9.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.371 -6.828 8.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.770 -6.148 9.660 1.00 0.00 H new ATOM 268 N MET A 78 1.942 -1.061 6.430 1.00 0.00 N ATOM 269 CA MET A 78 1.616 0.287 6.018 1.00 0.00 C ATOM 270 C MET A 78 0.122 0.357 5.768 1.00 0.00 C ATOM 271 O MET A 78 -0.562 1.297 6.196 1.00 0.00 O ATOM 272 CB MET A 78 2.357 0.649 4.727 1.00 0.00 C ATOM 273 CG MET A 78 3.868 0.535 4.797 1.00 0.00 C ATOM 274 SD MET A 78 4.656 0.915 3.217 1.00 0.00 S ATOM 275 CE MET A 78 6.373 0.587 3.613 1.00 0.00 C ATOM 0 H MET A 78 2.482 -1.590 5.745 1.00 0.00 H new ATOM 0 HA MET A 78 1.914 0.988 6.798 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.996 0.003 3.926 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.098 1.672 4.453 1.00 0.00 H new ATOM 0 HG2 MET A 78 4.247 1.213 5.562 1.00 0.00 H new ATOM 0 HG3 MET A 78 4.140 -0.475 5.103 1.00 0.00 H new ATOM 0 HE1 MET A 78 6.991 0.776 2.735 1.00 0.00 H new ATOM 0 HE2 MET A 78 6.690 1.239 4.427 1.00 0.00 H new ATOM 0 HE3 MET A 78 6.484 -0.454 3.917 1.00 0.00 H new ATOM 285 N ALA A 79 -0.374 -0.679 5.118 1.00 0.00 N ATOM 286 CA ALA A 79 -1.768 -0.808 4.768 1.00 0.00 C ATOM 287 C ALA A 79 -2.662 -0.804 6.005 1.00 0.00 C ATOM 288 O ALA A 79 -3.589 0.006 6.111 1.00 0.00 O ATOM 289 CB ALA A 79 -1.985 -2.068 3.937 1.00 0.00 C ATOM 0 H ALA A 79 0.196 -1.468 4.814 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.049 0.058 4.169 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.040 -2.156 3.678 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.391 -2.009 3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.679 -2.941 4.513 1.00 0.00 H new ATOM 295 N LYS A 80 -2.353 -1.663 6.969 1.00 0.00 N ATOM 296 CA LYS A 80 -3.151 -1.754 8.180 1.00 0.00 C ATOM 297 C LYS A 80 -3.022 -0.502 9.041 1.00 0.00 C ATOM 298 O LYS A 80 -3.837 -0.265 9.947 1.00 0.00 O ATOM 299 CB LYS A 80 -2.920 -3.076 8.986 1.00 0.00 C ATOM 300 CG LYS A 80 -1.521 -3.315 9.612 1.00 0.00 C ATOM 301 CD LYS A 80 -1.152 -2.384 10.800 1.00 0.00 C ATOM 302 CE LYS A 80 -2.000 -2.595 12.082 1.00 0.00 C ATOM 303 NZ LYS A 80 -3.445 -2.222 11.936 1.00 0.00 N ATOM 0 H LYS A 80 -1.559 -2.302 6.934 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.189 -1.806 7.853 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.655 -3.109 9.790 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.136 -3.913 8.322 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.467 -4.349 9.953 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.768 -3.196 8.833 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.101 -2.534 11.048 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.258 -1.348 10.478 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.936 -3.642 12.378 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.566 -2.008 12.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.806 -1.869 12.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.541 -1.480 11.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.992 -3.058 11.648 1.00 0.00 H new ATOM 317 N ALA A 81 -1.953 0.234 8.835 1.00 0.00 N ATOM 318 CA ALA A 81 -1.743 1.467 9.535 1.00 0.00 C ATOM 319 C ALA A 81 -2.683 2.544 8.988 1.00 0.00 C ATOM 320 O ALA A 81 -3.214 3.352 9.749 1.00 0.00 O ATOM 321 CB ALA A 81 -0.288 1.897 9.441 1.00 0.00 C ATOM 0 H ALA A 81 -1.211 -0.010 8.179 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.972 1.320 10.591 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.150 2.835 9.979 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.348 1.129 9.882 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.016 2.036 8.395 1.00 0.00 H new ATOM 327 N ILE A 82 -2.877 2.552 7.670 1.00 0.00 N ATOM 328 CA ILE A 82 -3.806 3.488 7.002 1.00 0.00 C ATOM 329 C ILE A 82 -5.242 3.093 7.325 1.00 0.00 C ATOM 330 O ILE A 82 -6.127 3.941 7.496 1.00 0.00 O ATOM 331 CB ILE A 82 -3.600 3.477 5.463 1.00 0.00 C ATOM 332 CG1 ILE A 82 -2.174 3.902 5.122 1.00 0.00 C ATOM 333 CG2 ILE A 82 -4.616 4.387 4.760 1.00 0.00 C ATOM 334 CD1 ILE A 82 -1.851 3.817 3.653 1.00 0.00 C ATOM 0 H ILE A 82 -2.401 1.916 7.030 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.603 4.494 7.368 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.761 2.460 5.105 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.019 4.927 5.460 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.475 3.275 5.675 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.446 4.358 3.684 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.626 4.041 4.978 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.498 5.409 5.119 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.821 4.134 3.488 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.973 2.789 3.313 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.525 4.466 3.094 1.00 0.00 H new ATOM 346 N MET A 83 -5.443 1.793 7.419 1.00 0.00 N ATOM 347 CA MET A 83 -6.719 1.193 7.789 1.00 0.00 C ATOM 348 C MET A 83 -7.204 1.701 9.155 1.00 0.00 C ATOM 349 O MET A 83 -8.398 1.765 9.415 1.00 0.00 O ATOM 350 CB MET A 83 -6.567 -0.326 7.825 1.00 0.00 C ATOM 351 CG MET A 83 -7.794 -1.057 8.305 1.00 0.00 C ATOM 352 SD MET A 83 -7.549 -2.843 8.396 1.00 0.00 S ATOM 353 CE MET A 83 -9.167 -3.357 8.967 1.00 0.00 C ATOM 0 H MET A 83 -4.711 1.106 7.237 1.00 0.00 H new ATOM 0 HA MET A 83 -7.463 1.478 7.045 1.00 0.00 H new ATOM 0 HB2 MET A 83 -6.315 -0.679 6.825 1.00 0.00 H new ATOM 0 HB3 MET A 83 -5.729 -0.581 8.473 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.074 -0.682 9.290 1.00 0.00 H new ATOM 0 HG3 MET A 83 -8.626 -0.842 7.634 1.00 0.00 H new ATOM 0 HE1 MET A 83 -9.187 -4.441 9.077 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.378 -2.891 9.930 1.00 0.00 H new ATOM 0 HE3 MET A 83 -9.922 -3.052 8.243 1.00 0.00 H new ATOM 363 N ALA A 84 -6.273 2.050 10.009 1.00 0.00 N ATOM 364 CA ALA A 84 -6.604 2.572 11.312 1.00 0.00 C ATOM 365 C ALA A 84 -6.575 4.098 11.287 1.00 0.00 C ATOM 366 O ALA A 84 -7.581 4.765 11.564 1.00 0.00 O ATOM 367 CB ALA A 84 -5.637 2.030 12.356 1.00 0.00 C ATOM 0 H ALA A 84 -5.273 1.981 9.823 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.611 2.251 11.579 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -5.897 2.431 13.336 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -5.701 0.942 12.381 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.620 2.328 12.100 1.00 0.00 H new ATOM 373 N ASP A 85 -5.457 4.639 10.862 1.00 0.00 N ATOM 374 CA ASP A 85 -5.231 6.074 10.875 1.00 0.00 C ATOM 375 C ASP A 85 -5.194 6.655 9.472 1.00 0.00 C ATOM 376 O ASP A 85 -4.427 6.182 8.613 1.00 0.00 O ATOM 377 CB ASP A 85 -3.927 6.419 11.604 1.00 0.00 C ATOM 378 CG ASP A 85 -3.448 7.808 11.240 1.00 0.00 C ATOM 379 OD1 ASP A 85 -4.037 8.773 11.693 1.00 0.00 O ATOM 380 OD2 ASP A 85 -2.499 7.915 10.409 1.00 0.00 O ATOM 0 H ASP A 85 -4.673 4.099 10.495 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.071 6.518 11.409 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.082 6.355 12.681 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.160 5.688 11.348 1.00 0.00 H new ATOM 385 N PRO A 86 -6.003 7.684 9.209 1.00 0.00 N ATOM 386 CA PRO A 86 -6.020 8.353 7.928 1.00 0.00 C ATOM 387 C PRO A 86 -5.087 9.584 7.864 1.00 0.00 C ATOM 388 O PRO A 86 -4.867 10.109 6.797 1.00 0.00 O ATOM 389 CB PRO A 86 -7.478 8.796 7.822 1.00 0.00 C ATOM 390 CG PRO A 86 -7.890 9.106 9.233 1.00 0.00 C ATOM 391 CD PRO A 86 -6.999 8.280 10.143 1.00 0.00 C ATOM 0 HA PRO A 86 -5.668 7.707 7.124 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.580 9.670 7.179 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.100 8.011 7.392 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -7.777 10.170 9.444 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -8.940 8.859 9.392 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.518 8.897 10.902 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.565 7.512 10.669 1.00 0.00 H new ATOM 399 N SER A 87 -4.511 9.989 8.991 1.00 0.00 N ATOM 400 CA SER A 87 -3.724 11.219 9.060 1.00 0.00 C ATOM 401 C SER A 87 -2.439 11.126 8.228 1.00 0.00 C ATOM 402 O SER A 87 -2.066 12.060 7.535 1.00 0.00 O ATOM 403 CB SER A 87 -3.388 11.523 10.514 1.00 0.00 C ATOM 404 OG SER A 87 -4.535 11.334 11.332 1.00 0.00 O ATOM 0 H SER A 87 -4.574 9.482 9.874 1.00 0.00 H new ATOM 0 HA SER A 87 -4.323 12.027 8.640 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.580 10.874 10.852 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.032 12.549 10.606 1.00 0.00 H new ATOM 0 HG SER A 87 -4.500 10.446 11.745 1.00 0.00 H new ATOM 410 N LYS A 88 -1.755 10.000 8.308 1.00 0.00 N ATOM 411 CA LYS A 88 -0.526 9.836 7.529 1.00 0.00 C ATOM 412 C LYS A 88 -0.770 9.292 6.121 1.00 0.00 C ATOM 413 O LYS A 88 0.167 9.143 5.337 1.00 0.00 O ATOM 414 CB LYS A 88 0.601 9.098 8.299 1.00 0.00 C ATOM 415 CG LYS A 88 0.231 7.761 8.914 1.00 0.00 C ATOM 416 CD LYS A 88 -0.046 6.688 7.880 1.00 0.00 C ATOM 417 CE LYS A 88 -0.550 5.441 8.541 1.00 0.00 C ATOM 418 NZ LYS A 88 -1.825 5.685 9.242 1.00 0.00 N ATOM 0 H LYS A 88 -2.014 9.200 8.886 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.144 10.846 7.378 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.436 8.941 7.616 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.958 9.753 9.094 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.041 7.430 9.564 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.651 7.888 9.542 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.782 7.049 7.161 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.864 6.469 7.322 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.687 4.660 7.793 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.193 5.076 9.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.132 4.813 9.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.694 6.437 9.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.549 5.977 8.555 1.00 0.00 H new ATOM 432 N ALA A 89 -2.033 8.950 5.837 1.00 0.00 N ATOM 433 CA ALA A 89 -2.426 8.283 4.588 1.00 0.00 C ATOM 434 C ALA A 89 -1.868 8.963 3.340 1.00 0.00 C ATOM 435 O ALA A 89 -1.257 8.291 2.513 1.00 0.00 O ATOM 436 CB ALA A 89 -3.937 8.150 4.487 1.00 0.00 C ATOM 0 H ALA A 89 -2.814 9.128 6.468 1.00 0.00 H new ATOM 0 HA ALA A 89 -1.983 7.288 4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.197 7.653 3.552 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.307 7.561 5.326 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.392 9.140 4.510 1.00 0.00 H new ATOM 442 N ASP A 90 -2.051 10.277 3.234 1.00 0.00 N ATOM 443 CA ASP A 90 -1.575 11.081 2.082 1.00 0.00 C ATOM 444 C ASP A 90 -0.121 10.800 1.750 1.00 0.00 C ATOM 445 O ASP A 90 0.224 10.552 0.582 1.00 0.00 O ATOM 446 CB ASP A 90 -1.757 12.574 2.352 1.00 0.00 C ATOM 447 CG ASP A 90 -3.205 12.954 2.503 1.00 0.00 C ATOM 448 OD1 ASP A 90 -3.790 12.614 3.554 1.00 0.00 O ATOM 449 OD2 ASP A 90 -3.765 13.554 1.566 1.00 0.00 O ATOM 0 H ASP A 90 -2.535 10.829 3.942 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.180 10.789 1.224 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.216 12.846 3.258 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.317 13.145 1.535 1.00 0.00 H new ATOM 454 N ASP A 91 0.726 10.782 2.774 1.00 0.00 N ATOM 455 CA ASP A 91 2.151 10.484 2.589 1.00 0.00 C ATOM 456 C ASP A 91 2.362 9.093 2.045 1.00 0.00 C ATOM 457 O ASP A 91 3.157 8.890 1.135 1.00 0.00 O ATOM 458 CB ASP A 91 2.978 10.658 3.879 1.00 0.00 C ATOM 459 CG ASP A 91 4.319 9.909 3.801 1.00 0.00 C ATOM 460 OD1 ASP A 91 5.125 10.156 2.873 1.00 0.00 O ATOM 461 OD2 ASP A 91 4.524 8.955 4.590 1.00 0.00 O ATOM 0 H ASP A 91 0.456 10.969 3.740 1.00 0.00 H new ATOM 0 HA ASP A 91 2.507 11.215 1.863 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.163 11.718 4.052 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.405 10.291 4.731 1.00 0.00 H new ATOM 466 N VAL A 92 1.638 8.139 2.562 1.00 0.00 N ATOM 467 CA VAL A 92 1.829 6.779 2.136 1.00 0.00 C ATOM 468 C VAL A 92 1.323 6.611 0.703 1.00 0.00 C ATOM 469 O VAL A 92 1.937 5.924 -0.091 1.00 0.00 O ATOM 470 CB VAL A 92 1.164 5.763 3.090 1.00 0.00 C ATOM 471 CG1 VAL A 92 1.571 4.344 2.723 1.00 0.00 C ATOM 472 CG2 VAL A 92 1.532 6.058 4.537 1.00 0.00 C ATOM 0 H VAL A 92 0.918 8.274 3.271 1.00 0.00 H new ATOM 0 HA VAL A 92 2.898 6.566 2.164 1.00 0.00 H new ATOM 0 HB VAL A 92 0.083 5.856 2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.094 3.641 3.405 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.258 4.128 1.702 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.654 4.245 2.799 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.052 5.329 5.190 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.614 5.996 4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.194 7.060 4.801 1.00 0.00 H new ATOM 482 N TYR A 93 0.245 7.315 0.380 1.00 0.00 N ATOM 483 CA TYR A 93 -0.323 7.315 -0.971 1.00 0.00 C ATOM 484 C TYR A 93 0.667 7.862 -1.985 1.00 0.00 C ATOM 485 O TYR A 93 0.965 7.215 -2.978 1.00 0.00 O ATOM 486 CB TYR A 93 -1.610 8.155 -1.038 1.00 0.00 C ATOM 487 CG TYR A 93 -2.855 7.528 -0.440 1.00 0.00 C ATOM 488 CD1 TYR A 93 -2.792 6.573 0.563 1.00 0.00 C ATOM 489 CD2 TYR A 93 -4.105 7.917 -0.887 1.00 0.00 C ATOM 490 CE1 TYR A 93 -3.931 6.025 1.096 1.00 0.00 C ATOM 491 CE2 TYR A 93 -5.252 7.375 -0.360 1.00 0.00 C ATOM 492 CZ TYR A 93 -5.159 6.425 0.634 1.00 0.00 C ATOM 493 OH TYR A 93 -6.301 5.876 1.164 1.00 0.00 O ATOM 0 H TYR A 93 -0.262 7.902 1.042 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.555 6.278 -1.212 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.427 9.102 -0.531 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.813 8.387 -2.084 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -1.828 6.255 0.932 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.181 8.662 -1.666 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.861 5.282 1.876 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.219 7.691 -0.722 1.00 0.00 H new ATOM 0 HH TYR A 93 -7.074 6.423 0.912 1.00 0.00 H new ATOM 503 N GLN A 94 1.190 9.047 -1.709 1.00 0.00 N ATOM 504 CA GLN A 94 2.114 9.717 -2.626 1.00 0.00 C ATOM 505 C GLN A 94 3.413 8.941 -2.719 1.00 0.00 C ATOM 506 O GLN A 94 4.040 8.900 -3.749 1.00 0.00 O ATOM 507 CB GLN A 94 2.351 11.189 -2.195 1.00 0.00 C ATOM 508 CG GLN A 94 3.118 11.356 -0.893 1.00 0.00 C ATOM 509 CD GLN A 94 4.626 11.368 -1.062 1.00 0.00 C ATOM 510 OE1 GLN A 94 5.143 11.812 -2.072 1.00 0.00 O ATOM 511 NE2 GLN A 94 5.324 10.848 -0.095 1.00 0.00 N ATOM 0 H GLN A 94 0.993 9.570 -0.856 1.00 0.00 H new ATOM 0 HA GLN A 94 1.668 9.742 -3.620 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.894 11.702 -2.989 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.385 11.684 -2.098 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.809 12.287 -0.418 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.845 10.546 -0.216 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.855 10.486 0.735 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.340 10.802 -0.167 1.00 0.00 H new ATOM 520 N LYS A 95 3.774 8.301 -1.628 1.00 0.00 N ATOM 521 CA LYS A 95 4.981 7.535 -1.564 1.00 0.00 C ATOM 522 C LYS A 95 4.827 6.272 -2.356 1.00 0.00 C ATOM 523 O LYS A 95 5.718 5.868 -3.054 1.00 0.00 O ATOM 524 CB LYS A 95 5.284 7.170 -0.153 1.00 0.00 C ATOM 525 CG LYS A 95 6.552 6.381 0.015 1.00 0.00 C ATOM 526 CD LYS A 95 6.525 5.564 1.276 1.00 0.00 C ATOM 527 CE LYS A 95 6.657 6.398 2.594 1.00 0.00 C ATOM 528 NZ LYS A 95 5.538 7.356 2.834 1.00 0.00 N ATOM 0 H LYS A 95 3.232 8.303 -0.764 1.00 0.00 H new ATOM 0 HA LYS A 95 5.792 8.138 -1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 95 5.354 8.082 0.440 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.452 6.591 0.249 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.690 5.724 -0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 95 7.405 7.060 0.037 1.00 0.00 H new ATOM 0 HD2 LYS A 95 5.592 5.001 1.309 1.00 0.00 H new ATOM 0 HD3 LYS A 95 7.335 4.836 1.239 1.00 0.00 H new ATOM 0 HE2 LYS A 95 6.719 5.712 3.439 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.594 6.953 2.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 5.390 7.468 3.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 5.775 8.278 2.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 4.668 6.991 2.396 1.00 0.00 H new ATOM 542 N TRP A 96 3.698 5.628 -2.220 1.00 0.00 N ATOM 543 CA TRP A 96 3.447 4.441 -3.008 1.00 0.00 C ATOM 544 C TRP A 96 3.447 4.795 -4.470 1.00 0.00 C ATOM 545 O TRP A 96 3.956 4.050 -5.298 1.00 0.00 O ATOM 546 CB TRP A 96 2.161 3.721 -2.614 1.00 0.00 C ATOM 547 CG TRP A 96 2.240 2.857 -1.383 1.00 0.00 C ATOM 548 CD1 TRP A 96 3.357 2.295 -0.819 1.00 0.00 C ATOM 549 CD2 TRP A 96 1.129 2.402 -0.606 1.00 0.00 C ATOM 550 NE1 TRP A 96 2.999 1.539 0.277 1.00 0.00 N ATOM 551 CE2 TRP A 96 1.639 1.588 0.422 1.00 0.00 C ATOM 552 CE3 TRP A 96 -0.250 2.615 -0.677 1.00 0.00 C ATOM 553 CZ2 TRP A 96 0.817 0.985 1.366 1.00 0.00 C ATOM 554 CZ3 TRP A 96 -1.062 2.015 0.261 1.00 0.00 C ATOM 555 CH2 TRP A 96 -0.525 1.208 1.271 1.00 0.00 C ATOM 0 H TRP A 96 2.947 5.895 -1.584 1.00 0.00 H new ATOM 0 HA TRP A 96 4.254 3.737 -2.804 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.382 4.468 -2.460 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.845 3.099 -3.451 1.00 0.00 H new ATOM 0 HD1 TRP A 96 4.367 2.425 -1.180 1.00 0.00 H new ATOM 0 HE1 TRP A 96 3.642 1.027 0.881 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.672 3.238 -1.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 1.226 0.362 2.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -2.130 2.170 0.216 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -1.188 0.752 1.991 1.00 0.00 H new ATOM 566 N ALA A 97 2.951 5.967 -4.757 1.00 0.00 N ATOM 567 CA ALA A 97 2.949 6.478 -6.100 1.00 0.00 C ATOM 568 C ALA A 97 4.379 6.775 -6.560 1.00 0.00 C ATOM 569 O ALA A 97 4.732 6.488 -7.705 1.00 0.00 O ATOM 570 CB ALA A 97 2.072 7.719 -6.212 1.00 0.00 C ATOM 0 H ALA A 97 2.537 6.594 -4.067 1.00 0.00 H new ATOM 0 HA ALA A 97 2.529 5.715 -6.755 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.089 8.085 -7.239 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.049 7.468 -5.933 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.450 8.493 -5.545 1.00 0.00 H new ATOM 576 N ASP A 98 5.215 7.308 -5.653 1.00 0.00 N ATOM 577 CA ASP A 98 6.610 7.650 -6.018 1.00 0.00 C ATOM 578 C ASP A 98 7.461 6.382 -6.137 1.00 0.00 C ATOM 579 O ASP A 98 8.387 6.310 -6.939 1.00 0.00 O ATOM 580 CB ASP A 98 7.264 8.681 -5.029 1.00 0.00 C ATOM 581 CG ASP A 98 8.185 8.079 -3.952 1.00 0.00 C ATOM 582 OD1 ASP A 98 9.399 7.886 -4.213 1.00 0.00 O ATOM 583 OD2 ASP A 98 7.738 7.801 -2.801 1.00 0.00 O ATOM 0 H ASP A 98 4.964 7.509 -4.685 1.00 0.00 H new ATOM 0 HA ASP A 98 6.573 8.140 -6.991 1.00 0.00 H new ATOM 0 HB2 ASP A 98 7.839 9.401 -5.611 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.468 9.235 -4.532 1.00 0.00 H new ATOM 588 N LYS A 99 7.104 5.369 -5.365 1.00 0.00 N ATOM 589 CA LYS A 99 7.806 4.090 -5.372 1.00 0.00 C ATOM 590 C LYS A 99 7.326 3.189 -6.505 1.00 0.00 C ATOM 591 O LYS A 99 7.792 2.058 -6.648 1.00 0.00 O ATOM 592 CB LYS A 99 7.651 3.387 -4.017 1.00 0.00 C ATOM 593 CG LYS A 99 8.235 4.169 -2.852 1.00 0.00 C ATOM 594 CD LYS A 99 9.755 4.276 -2.957 1.00 0.00 C ATOM 595 CE LYS A 99 10.340 5.183 -1.887 1.00 0.00 C ATOM 596 NZ LYS A 99 9.938 6.595 -2.069 1.00 0.00 N ATOM 0 H LYS A 99 6.319 5.407 -4.714 1.00 0.00 H new ATOM 0 HA LYS A 99 8.863 4.293 -5.543 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.592 3.209 -3.829 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.134 2.411 -4.067 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.799 5.168 -2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.967 3.682 -1.914 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.195 3.282 -2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.024 4.658 -3.942 1.00 0.00 H new ATOM 0 HE2 LYS A 99 10.016 4.839 -0.905 1.00 0.00 H new ATOM 0 HE3 LYS A 99 11.427 5.111 -1.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 10.374 7.179 -1.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 10.254 6.928 -3.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.903 6.672 -2.006 1.00 0.00 H new ATOM 610 N GLY A 100 6.383 3.679 -7.284 1.00 0.00 N ATOM 611 CA GLY A 100 5.914 2.949 -8.439 1.00 0.00 C ATOM 612 C GLY A 100 4.894 1.880 -8.116 1.00 0.00 C ATOM 613 O GLY A 100 4.604 1.013 -8.957 1.00 0.00 O ATOM 0 H GLY A 100 5.928 4.580 -7.136 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.477 3.652 -9.148 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.767 2.486 -8.935 1.00 0.00 H new ATOM 617 N TYR A 101 4.336 1.919 -6.925 1.00 0.00 N ATOM 618 CA TYR A 101 3.331 0.951 -6.565 1.00 0.00 C ATOM 619 C TYR A 101 1.989 1.316 -7.163 1.00 0.00 C ATOM 620 O TYR A 101 1.373 2.340 -6.836 1.00 0.00 O ATOM 621 CB TYR A 101 3.215 0.747 -5.053 1.00 0.00 C ATOM 622 CG TYR A 101 4.415 0.073 -4.433 1.00 0.00 C ATOM 623 CD1 TYR A 101 4.696 -1.260 -4.707 1.00 0.00 C ATOM 624 CD2 TYR A 101 5.252 0.753 -3.568 1.00 0.00 C ATOM 625 CE1 TYR A 101 5.783 -1.891 -4.137 1.00 0.00 C ATOM 626 CE2 TYR A 101 6.343 0.129 -2.993 1.00 0.00 C ATOM 627 CZ TYR A 101 6.603 -1.192 -3.282 1.00 0.00 C ATOM 628 OH TYR A 101 7.686 -1.818 -2.711 1.00 0.00 O ATOM 0 H TYR A 101 4.559 2.602 -6.201 1.00 0.00 H new ATOM 0 HA TYR A 101 3.655 -0.002 -6.985 1.00 0.00 H new ATOM 0 HB2 TYR A 101 3.068 1.716 -4.576 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.327 0.150 -4.844 1.00 0.00 H new ATOM 0 HD1 TYR A 101 4.053 -1.811 -5.377 1.00 0.00 H new ATOM 0 HD2 TYR A 101 5.050 1.789 -3.338 1.00 0.00 H new ATOM 0 HE1 TYR A 101 5.989 -2.927 -4.361 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.988 0.675 -2.320 1.00 0.00 H new ATOM 0 HH TYR A 101 8.163 -1.185 -2.134 1.00 0.00 H new ATOM 638 N THR A 102 1.545 0.493 -8.051 1.00 0.00 N ATOM 639 CA THR A 102 0.288 0.691 -8.664 1.00 0.00 C ATOM 640 C THR A 102 -0.778 -0.094 -7.919 1.00 0.00 C ATOM 641 O THR A 102 -0.463 -1.066 -7.227 1.00 0.00 O ATOM 642 CB THR A 102 0.328 0.322 -10.164 1.00 0.00 C ATOM 643 OG1 THR A 102 0.910 -0.979 -10.334 1.00 0.00 O ATOM 644 CG2 THR A 102 1.133 1.348 -10.951 1.00 0.00 C ATOM 0 H THR A 102 2.048 -0.335 -8.369 1.00 0.00 H new ATOM 0 HA THR A 102 0.035 1.750 -8.609 1.00 0.00 H new ATOM 0 HB THR A 102 -0.694 0.315 -10.542 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.931 -1.206 -11.287 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.148 1.068 -12.004 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.674 2.331 -10.843 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.154 1.380 -10.570 1.00 0.00 H new ATOM 652 N LEU A 103 -2.022 0.347 -8.043 1.00 0.00 N ATOM 653 CA LEU A 103 -3.184 -0.284 -7.393 1.00 0.00 C ATOM 654 C LEU A 103 -3.206 -1.812 -7.622 1.00 0.00 C ATOM 655 O LEU A 103 -3.450 -2.589 -6.698 1.00 0.00 O ATOM 656 CB LEU A 103 -4.469 0.340 -7.948 1.00 0.00 C ATOM 657 CG LEU A 103 -5.775 -0.048 -7.259 1.00 0.00 C ATOM 658 CD1 LEU A 103 -5.815 0.491 -5.835 1.00 0.00 C ATOM 659 CD2 LEU A 103 -6.962 0.449 -8.061 1.00 0.00 C ATOM 0 H LEU A 103 -2.266 1.164 -8.603 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.112 -0.111 -6.319 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.369 1.424 -7.900 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.549 0.074 -9.002 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.829 -1.135 -7.206 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.754 0.203 -5.363 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.982 0.079 -5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.738 1.578 -5.855 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.886 0.165 -7.557 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -6.914 1.535 -8.147 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.940 0.005 -9.056 1.00 0.00 H new ATOM 671 N THR A 104 -2.892 -2.222 -8.840 1.00 0.00 N ATOM 672 CA THR A 104 -2.873 -3.627 -9.210 1.00 0.00 C ATOM 673 C THR A 104 -1.758 -4.403 -8.465 1.00 0.00 C ATOM 674 O THR A 104 -1.930 -5.566 -8.134 1.00 0.00 O ATOM 675 CB THR A 104 -2.752 -3.804 -10.757 1.00 0.00 C ATOM 676 OG1 THR A 104 -2.729 -5.183 -11.123 1.00 0.00 O ATOM 677 CG2 THR A 104 -1.510 -3.106 -11.302 1.00 0.00 C ATOM 0 H THR A 104 -2.643 -1.589 -9.600 1.00 0.00 H new ATOM 0 HA THR A 104 -3.826 -4.056 -8.900 1.00 0.00 H new ATOM 0 HB THR A 104 -3.634 -3.341 -11.199 1.00 0.00 H new ATOM 0 HG1 THR A 104 -2.654 -5.262 -12.097 1.00 0.00 H new ATOM 0 HG21 THR A 104 -1.456 -3.249 -12.381 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.564 -2.040 -11.079 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.621 -3.529 -10.835 1.00 0.00 H new ATOM 685 N GLN A 105 -0.647 -3.736 -8.165 1.00 0.00 N ATOM 686 CA GLN A 105 0.444 -4.365 -7.430 1.00 0.00 C ATOM 687 C GLN A 105 0.093 -4.411 -5.961 1.00 0.00 C ATOM 688 O GLN A 105 0.351 -5.398 -5.281 1.00 0.00 O ATOM 689 CB GLN A 105 1.760 -3.617 -7.637 1.00 0.00 C ATOM 690 CG GLN A 105 2.334 -3.708 -9.041 1.00 0.00 C ATOM 691 CD GLN A 105 3.623 -2.922 -9.170 1.00 0.00 C ATOM 692 OE1 GLN A 105 4.703 -3.438 -8.939 1.00 0.00 O ATOM 693 NE2 GLN A 105 3.510 -1.678 -9.561 1.00 0.00 N ATOM 0 H GLN A 105 -0.479 -2.762 -8.419 1.00 0.00 H new ATOM 0 HA GLN A 105 0.580 -5.378 -7.808 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.607 -2.566 -7.390 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.496 -4.005 -6.933 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.518 -4.753 -9.292 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.604 -3.331 -9.758 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.588 -1.283 -9.744 1.00 0.00 H new ATOM 0 HE22 GLN A 105 4.344 -1.104 -9.682 1.00 0.00 H new ATOM 702 N LEU A 106 -0.550 -3.340 -5.488 1.00 0.00 N ATOM 703 CA LEU A 106 -1.000 -3.240 -4.100 1.00 0.00 C ATOM 704 C LEU A 106 -1.972 -4.379 -3.794 1.00 0.00 C ATOM 705 O LEU A 106 -2.016 -4.905 -2.676 1.00 0.00 O ATOM 706 CB LEU A 106 -1.694 -1.891 -3.855 1.00 0.00 C ATOM 707 CG LEU A 106 -2.088 -1.603 -2.404 1.00 0.00 C ATOM 708 CD1 LEU A 106 -0.854 -1.410 -1.540 1.00 0.00 C ATOM 709 CD2 LEU A 106 -3.001 -0.398 -2.315 1.00 0.00 C ATOM 0 H LEU A 106 -0.772 -2.522 -6.055 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.132 -3.311 -3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -1.033 -1.095 -4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.592 -1.847 -4.472 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.637 -2.466 -2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -1.157 -1.206 -0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -0.246 -2.314 -1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.272 -0.570 -1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -3.264 -0.217 -1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.489 0.477 -2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -3.907 -0.585 -2.891 1.00 0.00 H new ATOM 721 N SER A 107 -2.707 -4.779 -4.820 1.00 0.00 N ATOM 722 CA SER A 107 -3.666 -5.847 -4.728 1.00 0.00 C ATOM 723 C SER A 107 -3.004 -7.166 -4.292 1.00 0.00 C ATOM 724 O SER A 107 -3.604 -7.934 -3.554 1.00 0.00 O ATOM 725 CB SER A 107 -4.387 -6.026 -6.069 1.00 0.00 C ATOM 726 OG SER A 107 -5.030 -4.821 -6.474 1.00 0.00 O ATOM 0 H SER A 107 -2.647 -4.360 -5.748 1.00 0.00 H new ATOM 0 HA SER A 107 -4.396 -5.578 -3.965 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.671 -6.333 -6.831 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.125 -6.824 -5.984 1.00 0.00 H new ATOM 0 HG SER A 107 -4.356 -4.126 -6.626 1.00 0.00 H new ATOM 732 N ASP A 108 -1.750 -7.404 -4.705 1.00 0.00 N ATOM 733 CA ASP A 108 -1.077 -8.660 -4.355 1.00 0.00 C ATOM 734 C ASP A 108 -0.729 -8.718 -2.894 1.00 0.00 C ATOM 735 O ASP A 108 -1.010 -9.723 -2.221 1.00 0.00 O ATOM 736 CB ASP A 108 0.185 -8.939 -5.188 1.00 0.00 C ATOM 737 CG ASP A 108 0.874 -10.232 -4.725 1.00 0.00 C ATOM 738 OD1 ASP A 108 0.340 -11.331 -5.021 1.00 0.00 O ATOM 739 OD2 ASP A 108 1.905 -10.166 -4.024 1.00 0.00 O ATOM 0 H ASP A 108 -1.194 -6.760 -5.268 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.803 -9.438 -4.590 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.081 -9.021 -6.242 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.877 -8.102 -5.099 1.00 0.00 H new ATOM 744 N PHE A 109 -0.175 -7.628 -2.404 1.00 0.00 N ATOM 745 CA PHE A 109 0.309 -7.537 -1.033 1.00 0.00 C ATOM 746 C PHE A 109 -0.842 -7.648 -0.044 1.00 0.00 C ATOM 747 O PHE A 109 -0.701 -8.206 1.053 1.00 0.00 O ATOM 748 CB PHE A 109 1.039 -6.208 -0.811 1.00 0.00 C ATOM 749 CG PHE A 109 2.079 -5.881 -1.853 1.00 0.00 C ATOM 750 CD1 PHE A 109 3.069 -6.785 -2.185 1.00 0.00 C ATOM 751 CD2 PHE A 109 2.046 -4.666 -2.509 1.00 0.00 C ATOM 752 CE1 PHE A 109 4.005 -6.484 -3.147 1.00 0.00 C ATOM 753 CE2 PHE A 109 2.980 -4.356 -3.474 1.00 0.00 C ATOM 754 CZ PHE A 109 3.963 -5.268 -3.794 1.00 0.00 C ATOM 0 H PHE A 109 -0.045 -6.773 -2.945 1.00 0.00 H new ATOM 0 HA PHE A 109 1.000 -8.363 -0.868 1.00 0.00 H new ATOM 0 HB2 PHE A 109 0.303 -5.404 -0.786 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.519 -6.231 0.167 1.00 0.00 H new ATOM 0 HD1 PHE A 109 3.109 -7.740 -1.683 1.00 0.00 H new ATOM 0 HD2 PHE A 109 1.277 -3.949 -2.262 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.773 -7.201 -3.395 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.942 -3.402 -3.978 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.698 -5.030 -4.549 1.00 0.00 H new ATOM 764 N LEU A 110 -1.968 -7.118 -0.426 1.00 0.00 N ATOM 765 CA LEU A 110 -3.134 -7.133 0.415 1.00 0.00 C ATOM 766 C LEU A 110 -3.891 -8.462 0.313 1.00 0.00 C ATOM 767 O LEU A 110 -4.305 -9.008 1.331 1.00 0.00 O ATOM 768 CB LEU A 110 -4.024 -5.905 0.150 1.00 0.00 C ATOM 769 CG LEU A 110 -3.583 -4.556 0.813 1.00 0.00 C ATOM 770 CD1 LEU A 110 -2.146 -4.175 0.485 1.00 0.00 C ATOM 771 CD2 LEU A 110 -4.514 -3.440 0.393 1.00 0.00 C ATOM 0 H LEU A 110 -2.106 -6.663 -1.328 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.806 -7.059 1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.079 -5.752 -0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.033 -6.137 0.491 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.638 -4.705 1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.899 -3.232 0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.473 -4.955 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.036 -4.065 -0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.198 -2.507 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.485 -3.331 -0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.531 -3.677 0.707 1.00 0.00 H new ATOM 783 N LYS A 111 -4.023 -8.976 -0.906 1.00 0.00 N ATOM 784 CA LYS A 111 -4.657 -10.287 -1.191 1.00 0.00 C ATOM 785 C LYS A 111 -4.120 -11.390 -0.278 1.00 0.00 C ATOM 786 O LYS A 111 -2.931 -11.743 -0.333 1.00 0.00 O ATOM 787 CB LYS A 111 -4.378 -10.702 -2.638 1.00 0.00 C ATOM 788 CG LYS A 111 -4.893 -12.092 -3.022 1.00 0.00 C ATOM 789 CD LYS A 111 -4.330 -12.584 -4.369 1.00 0.00 C ATOM 790 CE LYS A 111 -2.837 -13.022 -4.303 1.00 0.00 C ATOM 791 NZ LYS A 111 -1.904 -11.923 -3.949 1.00 0.00 N ATOM 0 H LYS A 111 -3.693 -8.498 -1.744 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.726 -10.166 -1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -4.829 -9.967 -3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -3.302 -10.669 -2.809 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.626 -12.803 -2.240 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -5.982 -12.070 -3.074 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.930 -13.424 -4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -4.434 -11.789 -5.108 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -2.735 -13.822 -3.570 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -2.547 -13.435 -5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -1.013 -12.042 -4.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -2.333 -11.009 -4.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -1.712 -11.946 -2.927 1.00 0.00 H new ATOM 905 N TYR A 118 -9.269 -4.537 3.977 1.00 0.00 N ATOM 906 CA TYR A 118 -8.385 -3.444 3.571 1.00 0.00 C ATOM 907 C TYR A 118 -9.111 -2.303 2.817 1.00 0.00 C ATOM 908 O TYR A 118 -8.480 -1.603 2.040 1.00 0.00 O ATOM 909 CB TYR A 118 -7.252 -3.982 2.684 1.00 0.00 C ATOM 910 CG TYR A 118 -6.334 -5.011 3.328 1.00 0.00 C ATOM 911 CD1 TYR A 118 -5.403 -4.635 4.291 1.00 0.00 C ATOM 912 CD2 TYR A 118 -6.373 -6.350 2.944 1.00 0.00 C ATOM 913 CE1 TYR A 118 -4.544 -5.561 4.855 1.00 0.00 C ATOM 914 CE2 TYR A 118 -5.522 -7.277 3.510 1.00 0.00 C ATOM 915 CZ TYR A 118 -4.611 -6.883 4.461 1.00 0.00 C ATOM 916 OH TYR A 118 -3.748 -7.818 5.015 1.00 0.00 O ATOM 0 HA TYR A 118 -7.991 -3.021 4.495 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -7.695 -4.426 1.792 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -6.645 -3.139 2.353 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -5.350 -3.603 4.604 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -7.080 -6.667 2.192 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.825 -5.252 5.599 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.572 -8.312 3.206 1.00 0.00 H new ATOM 0 HH TYR A 118 -4.180 -8.697 5.024 1.00 0.00 H new ATOM 926 N ASP A 119 -10.404 -2.113 3.062 1.00 0.00 N ATOM 927 CA ASP A 119 -11.208 -1.057 2.378 1.00 0.00 C ATOM 928 C ASP A 119 -10.543 0.318 2.432 1.00 0.00 C ATOM 929 O ASP A 119 -10.119 0.840 1.408 1.00 0.00 O ATOM 930 CB ASP A 119 -12.622 -0.962 2.972 1.00 0.00 C ATOM 931 CG ASP A 119 -13.330 0.338 2.576 1.00 0.00 C ATOM 932 OD1 ASP A 119 -13.764 0.464 1.415 1.00 0.00 O ATOM 933 OD2 ASP A 119 -13.396 1.246 3.431 1.00 0.00 O ATOM 0 H ASP A 119 -10.937 -2.670 3.730 1.00 0.00 H new ATOM 0 HA ASP A 119 -11.271 -1.359 1.333 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -13.214 -1.813 2.635 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -12.563 -1.025 4.059 1.00 0.00 H new ATOM 938 N ARG A 120 -10.379 0.843 3.637 1.00 0.00 N ATOM 939 CA ARG A 120 -9.826 2.181 3.845 1.00 0.00 C ATOM 940 C ARG A 120 -8.467 2.402 3.200 1.00 0.00 C ATOM 941 O ARG A 120 -8.141 3.515 2.810 1.00 0.00 O ATOM 942 CB ARG A 120 -9.777 2.534 5.321 1.00 0.00 C ATOM 943 CG ARG A 120 -11.134 2.850 5.925 1.00 0.00 C ATOM 944 CD ARG A 120 -11.005 3.188 7.396 1.00 0.00 C ATOM 945 NE ARG A 120 -10.009 4.254 7.630 1.00 0.00 N ATOM 946 CZ ARG A 120 -9.517 4.602 8.835 1.00 0.00 C ATOM 947 NH1 ARG A 120 -10.062 4.129 9.956 1.00 0.00 N ATOM 948 NH2 ARG A 120 -8.489 5.431 8.917 1.00 0.00 N ATOM 0 H ARG A 120 -10.624 0.357 4.500 1.00 0.00 H new ATOM 0 HA ARG A 120 -10.514 2.855 3.336 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -9.332 1.703 5.868 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -9.121 3.394 5.457 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -11.587 3.687 5.394 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -11.800 1.996 5.801 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -11.974 3.505 7.782 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -10.718 2.294 7.950 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.668 4.766 6.817 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -10.861 3.496 9.907 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -9.680 4.400 10.862 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.068 5.807 8.067 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -8.117 5.694 9.830 1.00 0.00 H new ATOM 962 N VAL A 121 -7.669 1.366 3.115 1.00 0.00 N ATOM 963 CA VAL A 121 -6.386 1.500 2.481 1.00 0.00 C ATOM 964 C VAL A 121 -6.469 1.326 0.955 1.00 0.00 C ATOM 965 O VAL A 121 -5.985 2.147 0.217 1.00 0.00 O ATOM 966 CB VAL A 121 -5.280 0.584 3.102 1.00 0.00 C ATOM 967 CG1 VAL A 121 -5.658 -0.875 3.089 1.00 0.00 C ATOM 968 CG2 VAL A 121 -3.961 0.797 2.390 1.00 0.00 C ATOM 0 H VAL A 121 -7.883 0.435 3.472 1.00 0.00 H new ATOM 0 HA VAL A 121 -6.076 2.526 2.681 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.177 0.873 4.148 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.854 -1.463 3.532 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -6.572 -1.019 3.665 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.821 -1.199 2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.201 0.153 2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.074 0.552 1.334 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -3.657 1.839 2.490 1.00 0.00 H new ATOM 978 N TYR A 122 -7.136 0.285 0.506 1.00 0.00 N ATOM 979 CA TYR A 122 -7.150 -0.064 -0.903 1.00 0.00 C ATOM 980 C TYR A 122 -8.133 0.796 -1.693 1.00 0.00 C ATOM 981 O TYR A 122 -7.762 1.433 -2.679 1.00 0.00 O ATOM 982 CB TYR A 122 -7.478 -1.554 -1.062 1.00 0.00 C ATOM 983 CG TYR A 122 -7.456 -2.034 -2.484 1.00 0.00 C ATOM 984 CD1 TYR A 122 -6.264 -2.371 -3.096 1.00 0.00 C ATOM 985 CD2 TYR A 122 -8.626 -2.134 -3.219 1.00 0.00 C ATOM 986 CE1 TYR A 122 -6.233 -2.798 -4.398 1.00 0.00 C ATOM 987 CE2 TYR A 122 -8.609 -2.555 -4.523 1.00 0.00 C ATOM 988 CZ TYR A 122 -7.407 -2.889 -5.113 1.00 0.00 C ATOM 989 OH TYR A 122 -7.374 -3.304 -6.422 1.00 0.00 O ATOM 0 H TYR A 122 -7.681 -0.341 1.100 1.00 0.00 H new ATOM 0 HA TYR A 122 -6.159 0.132 -1.311 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -6.763 -2.137 -0.481 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -8.464 -1.746 -0.639 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -5.342 -2.297 -2.539 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -9.567 -1.876 -2.757 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -5.293 -3.062 -4.861 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -9.529 -2.625 -5.084 1.00 0.00 H new ATOM 0 HH TYR A 122 -6.576 -3.852 -6.571 1.00 0.00 H new ATOM 999 N ASN A 123 -9.364 0.803 -1.247 1.00 0.00 N ATOM 1000 CA ASN A 123 -10.452 1.546 -1.882 1.00 0.00 C ATOM 1001 C ASN A 123 -10.175 3.046 -1.801 1.00 0.00 C ATOM 1002 O ASN A 123 -10.413 3.783 -2.749 1.00 0.00 O ATOM 1003 CB ASN A 123 -11.785 1.159 -1.200 1.00 0.00 C ATOM 1004 CG ASN A 123 -13.019 1.886 -1.707 1.00 0.00 C ATOM 1005 OD1 ASN A 123 -13.096 2.305 -2.860 1.00 0.00 O ATOM 1006 ND2 ASN A 123 -14.019 1.977 -0.861 1.00 0.00 N ATOM 0 H ASN A 123 -9.656 0.286 -0.417 1.00 0.00 H new ATOM 0 HA ASN A 123 -10.524 1.291 -2.939 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -11.939 0.087 -1.327 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -11.691 1.343 -0.130 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -14.897 2.407 -1.153 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -13.918 1.618 0.088 1.00 0.00 H new ATOM 1013 N GLY A 124 -9.594 3.468 -0.687 1.00 0.00 N ATOM 1014 CA GLY A 124 -9.221 4.861 -0.522 1.00 0.00 C ATOM 1015 C GLY A 124 -8.072 5.258 -1.445 1.00 0.00 C ATOM 1016 O GLY A 124 -8.066 6.347 -2.022 1.00 0.00 O ATOM 0 H GLY A 124 -9.373 2.869 0.109 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -10.085 5.494 -0.725 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -8.932 5.039 0.514 1.00 0.00 H new ATOM 1020 N TYR A 125 -7.112 4.353 -1.610 1.00 0.00 N ATOM 1021 CA TYR A 125 -5.942 4.601 -2.448 1.00 0.00 C ATOM 1022 C TYR A 125 -6.325 4.654 -3.914 1.00 0.00 C ATOM 1023 O TYR A 125 -5.680 5.334 -4.689 1.00 0.00 O ATOM 1024 CB TYR A 125 -4.868 3.525 -2.200 1.00 0.00 C ATOM 1025 CG TYR A 125 -3.560 3.693 -2.957 1.00 0.00 C ATOM 1026 CD1 TYR A 125 -2.763 4.811 -2.772 1.00 0.00 C ATOM 1027 CD2 TYR A 125 -3.106 2.707 -3.821 1.00 0.00 C ATOM 1028 CE1 TYR A 125 -1.556 4.942 -3.426 1.00 0.00 C ATOM 1029 CE2 TYR A 125 -1.901 2.832 -4.484 1.00 0.00 C ATOM 1030 CZ TYR A 125 -1.131 3.953 -4.281 1.00 0.00 C ATOM 1031 OH TYR A 125 0.083 4.079 -4.913 1.00 0.00 O ATOM 0 H TYR A 125 -7.122 3.433 -1.170 1.00 0.00 H new ATOM 0 HA TYR A 125 -5.527 5.572 -2.178 1.00 0.00 H new ATOM 0 HB2 TYR A 125 -4.646 3.503 -1.133 1.00 0.00 H new ATOM 0 HB3 TYR A 125 -5.290 2.554 -2.458 1.00 0.00 H new ATOM 0 HD1 TYR A 125 -3.093 5.593 -2.104 1.00 0.00 H new ATOM 0 HD2 TYR A 125 -3.707 1.824 -3.978 1.00 0.00 H new ATOM 0 HE1 TYR A 125 -0.946 5.819 -3.267 1.00 0.00 H new ATOM 0 HE2 TYR A 125 -1.566 2.056 -5.156 1.00 0.00 H new ATOM 0 HH TYR A 125 0.231 3.304 -5.495 1.00 0.00 H new ATOM 1041 N MET A 126 -7.405 3.967 -4.265 1.00 0.00 N ATOM 1042 CA MET A 126 -7.904 3.875 -5.646 1.00 0.00 C ATOM 1043 C MET A 126 -8.069 5.260 -6.294 1.00 0.00 C ATOM 1044 O MET A 126 -7.742 5.439 -7.466 1.00 0.00 O ATOM 1045 CB MET A 126 -9.236 3.109 -5.671 1.00 0.00 C ATOM 1046 CG MET A 126 -9.827 2.900 -7.062 1.00 0.00 C ATOM 1047 SD MET A 126 -11.391 1.989 -7.040 1.00 0.00 S ATOM 1048 CE MET A 126 -10.901 0.446 -6.261 1.00 0.00 C ATOM 0 H MET A 126 -7.972 3.448 -3.595 1.00 0.00 H new ATOM 0 HA MET A 126 -7.162 3.332 -6.232 1.00 0.00 H new ATOM 0 HB2 MET A 126 -9.088 2.135 -5.204 1.00 0.00 H new ATOM 0 HB3 MET A 126 -9.961 3.648 -5.061 1.00 0.00 H new ATOM 0 HG2 MET A 126 -9.985 3.870 -7.532 1.00 0.00 H new ATOM 0 HG3 MET A 126 -9.108 2.361 -7.678 1.00 0.00 H new ATOM 0 HE1 MET A 126 -11.441 -0.382 -6.722 1.00 0.00 H new ATOM 0 HE2 MET A 126 -9.829 0.297 -6.391 1.00 0.00 H new ATOM 0 HE3 MET A 126 -11.136 0.485 -5.197 1.00 0.00 H new ATOM 1058 N THR A 127 -8.488 6.229 -5.493 1.00 0.00 N ATOM 1059 CA THR A 127 -8.724 7.607 -5.922 1.00 0.00 C ATOM 1060 C THR A 127 -7.437 8.294 -6.497 1.00 0.00 C ATOM 1061 O THR A 127 -7.510 9.309 -7.183 1.00 0.00 O ATOM 1062 CB THR A 127 -9.292 8.413 -4.733 1.00 0.00 C ATOM 1063 OG1 THR A 127 -10.348 7.641 -4.137 1.00 0.00 O ATOM 1064 CG2 THR A 127 -9.871 9.751 -5.191 1.00 0.00 C ATOM 0 H THR A 127 -8.679 6.079 -4.502 1.00 0.00 H new ATOM 0 HA THR A 127 -9.445 7.586 -6.739 1.00 0.00 H new ATOM 0 HB THR A 127 -8.487 8.611 -4.026 1.00 0.00 H new ATOM 0 HG1 THR A 127 -10.724 8.133 -3.377 1.00 0.00 H new ATOM 0 HG21 THR A 127 -10.262 10.292 -4.329 1.00 0.00 H new ATOM 0 HG22 THR A 127 -9.089 10.342 -5.667 1.00 0.00 H new ATOM 0 HG23 THR A 127 -10.676 9.574 -5.904 1.00 0.00 H new ATOM 1072 N TYR A 128 -6.245 7.746 -6.207 1.00 0.00 N ATOM 1073 CA TYR A 128 -5.014 8.357 -6.719 1.00 0.00 C ATOM 1074 C TYR A 128 -4.940 8.225 -8.245 1.00 0.00 C ATOM 1075 O TYR A 128 -4.225 8.952 -8.889 1.00 0.00 O ATOM 1076 CB TYR A 128 -3.740 7.781 -6.046 1.00 0.00 C ATOM 1077 CG TYR A 128 -3.109 6.551 -6.705 1.00 0.00 C ATOM 1078 CD1 TYR A 128 -3.817 5.378 -6.910 1.00 0.00 C ATOM 1079 CD2 TYR A 128 -1.782 6.581 -7.112 1.00 0.00 C ATOM 1080 CE1 TYR A 128 -3.235 4.287 -7.495 1.00 0.00 C ATOM 1081 CE2 TYR A 128 -1.196 5.491 -7.704 1.00 0.00 C ATOM 1082 CZ TYR A 128 -1.927 4.346 -7.894 1.00 0.00 C ATOM 1083 OH TYR A 128 -1.337 3.251 -8.480 1.00 0.00 O ATOM 0 H TYR A 128 -6.111 6.909 -5.640 1.00 0.00 H new ATOM 0 HA TYR A 128 -5.050 9.416 -6.462 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -2.989 8.570 -6.009 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -3.986 7.526 -5.015 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -4.851 5.324 -6.601 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -1.201 7.478 -6.960 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -3.806 3.382 -7.642 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -0.164 5.534 -8.019 1.00 0.00 H new ATOM 0 HH TYR A 128 -0.663 3.549 -9.126 1.00 0.00 H new ATOM 1093 N ARG A 129 -5.754 7.328 -8.797 1.00 0.00 N ATOM 1094 CA ARG A 129 -5.788 7.051 -10.235 1.00 0.00 C ATOM 1095 C ARG A 129 -6.492 8.139 -11.004 1.00 0.00 C ATOM 1096 O ARG A 129 -6.428 8.184 -12.230 1.00 0.00 O ATOM 1097 CB ARG A 129 -6.437 5.697 -10.480 1.00 0.00 C ATOM 1098 CG ARG A 129 -5.547 4.552 -10.055 1.00 0.00 C ATOM 1099 CD ARG A 129 -4.676 4.041 -11.201 1.00 0.00 C ATOM 1100 NE ARG A 129 -4.069 5.094 -12.044 1.00 0.00 N ATOM 1101 CZ ARG A 129 -4.115 5.101 -13.394 1.00 0.00 C ATOM 1102 NH1 ARG A 129 -4.808 4.158 -14.057 1.00 0.00 N ATOM 1103 NH2 ARG A 129 -3.504 6.036 -14.074 1.00 0.00 N ATOM 0 H ARG A 129 -6.414 6.768 -8.257 1.00 0.00 H new ATOM 0 HA ARG A 129 -4.762 7.026 -10.601 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -7.380 5.644 -9.935 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -6.675 5.596 -11.539 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -4.909 4.876 -9.233 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -6.163 3.736 -9.678 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -3.878 3.426 -10.784 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -5.280 3.393 -11.835 1.00 0.00 H new ATOM 0 HE ARG A 129 -3.586 5.862 -11.577 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -5.303 3.431 -13.540 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -4.838 4.170 -15.076 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -2.988 6.767 -13.585 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -3.544 6.034 -15.093 1.00 0.00 H new ATOM 1117 N ASP A 130 -7.166 9.000 -10.279 1.00 0.00 N ATOM 1118 CA ASP A 130 -7.829 10.154 -10.857 1.00 0.00 C ATOM 1119 C ASP A 130 -6.824 11.292 -10.956 1.00 0.00 C ATOM 1120 O ASP A 130 -7.101 12.355 -11.520 1.00 0.00 O ATOM 1121 CB ASP A 130 -9.018 10.591 -9.979 1.00 0.00 C ATOM 1122 CG ASP A 130 -10.080 9.515 -9.812 1.00 0.00 C ATOM 1123 OD1 ASP A 130 -9.913 8.641 -8.918 1.00 0.00 O ATOM 1124 OD2 ASP A 130 -11.077 9.535 -10.560 1.00 0.00 O ATOM 0 H ASP A 130 -7.273 8.923 -9.268 1.00 0.00 H new ATOM 0 HA ASP A 130 -8.208 9.895 -11.846 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -8.646 10.878 -8.995 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -9.476 11.477 -10.418 1.00 0.00 H new ATOM 1129 N TYR A 131 -5.646 11.067 -10.387 1.00 0.00 N ATOM 1130 CA TYR A 131 -4.590 12.049 -10.382 1.00 0.00 C ATOM 1131 C TYR A 131 -3.338 11.533 -11.111 1.00 0.00 C ATOM 1132 O TYR A 131 -2.644 12.301 -11.781 1.00 0.00 O ATOM 1133 CB TYR A 131 -4.264 12.441 -8.927 1.00 0.00 C ATOM 1134 CG TYR A 131 -3.090 13.383 -8.769 1.00 0.00 C ATOM 1135 CD1 TYR A 131 -3.202 14.733 -9.079 1.00 0.00 C ATOM 1136 CD2 TYR A 131 -1.869 12.916 -8.303 1.00 0.00 C ATOM 1137 CE1 TYR A 131 -2.127 15.587 -8.930 1.00 0.00 C ATOM 1138 CE2 TYR A 131 -0.794 13.759 -8.151 1.00 0.00 C ATOM 1139 CZ TYR A 131 -0.925 15.094 -8.465 1.00 0.00 C ATOM 1140 OH TYR A 131 0.151 15.939 -8.317 1.00 0.00 O ATOM 0 H TYR A 131 -5.404 10.194 -9.918 1.00 0.00 H new ATOM 0 HA TYR A 131 -4.930 12.932 -10.922 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -5.146 12.905 -8.485 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -4.062 11.533 -8.358 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -4.143 15.120 -9.442 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -1.761 11.870 -8.055 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -2.226 16.634 -9.176 1.00 0.00 H new ATOM 0 HE2 TYR A 131 0.148 13.377 -7.787 1.00 0.00 H new ATOM 0 HH TYR A 131 0.920 15.434 -7.979 1.00 0.00 H new ATOM 1150 N VAL A 132 -3.058 10.257 -10.973 1.00 0.00 N ATOM 1151 CA VAL A 132 -1.902 9.653 -11.579 1.00 0.00 C ATOM 1152 C VAL A 132 -2.217 8.229 -12.041 1.00 0.00 C ATOM 1153 O VAL A 132 -2.068 7.960 -13.230 1.00 0.00 O ATOM 1154 CB VAL A 132 -0.630 9.719 -10.660 1.00 0.00 C ATOM 1155 CG1 VAL A 132 -0.862 9.079 -9.303 1.00 0.00 C ATOM 1156 CG2 VAL A 132 0.584 9.102 -11.349 1.00 0.00 C ATOM 1157 OXT VAL A 132 -2.717 7.391 -11.230 1.00 0.00 O ATOM 0 H VAL A 132 -3.631 9.609 -10.433 1.00 0.00 H new ATOM 0 HA VAL A 132 -1.651 10.241 -12.462 1.00 0.00 H new ATOM 0 HB VAL A 132 -0.426 10.776 -10.486 1.00 0.00 H new ATOM 0 HG11 VAL A 132 0.047 9.151 -8.706 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -1.674 9.596 -8.791 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -1.127 8.030 -9.436 1.00 0.00 H new ATOM 0 HG21 VAL A 132 1.448 9.163 -10.687 1.00 0.00 H new ATOM 0 HG22 VAL A 132 0.378 8.057 -11.582 1.00 0.00 H new ATOM 0 HG23 VAL A 132 0.794 9.644 -12.271 1.00 0.00 H new