USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 482 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 114 TYR OH : rot 180:sc= 0.23 USER MOD Set 1.2: A 134 LYS NZ :NH3+ -109:sc= 0.043 (180deg=-0.317) USER MOD Single : A 84 THR OG1 : rot 166:sc= -1.49 USER MOD Single : A 88 LYS NZ :NH3+ 137:sc= -0.741 (180deg=-2.45!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HD1:sc=-0.000531 X(o=-0.00053,f=0) USER MOD Single : A 102 TYR OH : rot 87:sc= 0.597 USER MOD Single : A 110 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.284) USER MOD Single : A 115 SER OG : rot -108:sc= -0.505 USER MOD Single : A 118 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0899) USER MOD Single : A 120 SER OG : rot 94:sc= 0.141 USER MOD Single : A 126 MET CE :methyl -175:sc= 0 (180deg=-0.0719) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 187 N THR A 84 8.957 -6.718 6.346 1.00 0.00 N ATOM 188 CA THR A 84 8.789 -8.151 6.139 1.00 0.00 C ATOM 189 C THR A 84 9.099 -8.538 4.697 1.00 0.00 C ATOM 190 O THR A 84 9.242 -9.719 4.378 1.00 0.00 O ATOM 191 CB THR A 84 7.357 -8.604 6.483 1.00 0.00 C ATOM 192 OG1 THR A 84 7.182 -9.981 6.134 1.00 0.00 O ATOM 193 CG2 THR A 84 6.330 -7.755 5.749 1.00 0.00 C ATOM 0 HA THR A 84 9.491 -8.651 6.806 1.00 0.00 H new ATOM 0 HB THR A 84 7.208 -8.480 7.556 1.00 0.00 H new ATOM 0 HG1 THR A 84 6.364 -10.323 6.552 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.327 -8.093 6.007 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.447 -6.711 6.039 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.480 -7.852 4.674 1.00 0.00 H new ATOM 201 N PHE A 85 9.204 -7.537 3.830 1.00 0.00 N ATOM 202 CA PHE A 85 9.498 -7.773 2.421 1.00 0.00 C ATOM 203 C PHE A 85 8.459 -8.700 1.797 1.00 0.00 C ATOM 204 O PHE A 85 8.797 -9.594 1.021 1.00 0.00 O ATOM 205 CB PHE A 85 10.896 -8.376 2.264 1.00 0.00 C ATOM 206 CG PHE A 85 11.245 -8.719 0.844 1.00 0.00 C ATOM 207 CD1 PHE A 85 10.604 -8.090 -0.211 1.00 0.00 C ATOM 208 CD2 PHE A 85 12.213 -9.670 0.565 1.00 0.00 C ATOM 209 CE1 PHE A 85 10.923 -8.403 -1.519 1.00 0.00 C ATOM 210 CE2 PHE A 85 12.537 -9.986 -0.740 1.00 0.00 C ATOM 211 CZ PHE A 85 11.890 -9.353 -1.784 1.00 0.00 C ATOM 0 H PHE A 85 9.090 -6.554 4.078 1.00 0.00 H new ATOM 0 HA PHE A 85 9.463 -6.815 1.902 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.632 -7.671 2.651 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.965 -9.276 2.874 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.847 -7.347 -0.009 1.00 0.00 H new ATOM 0 HD2 PHE A 85 12.720 -10.170 1.377 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.417 -7.905 -2.333 1.00 0.00 H new ATOM 0 HE2 PHE A 85 13.295 -10.727 -0.944 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.140 -9.601 -2.805 1.00 0.00 H new ATOM 221 N GLU A 86 7.195 -8.480 2.142 1.00 0.00 N ATOM 222 CA GLU A 86 6.107 -9.296 1.617 1.00 0.00 C ATOM 223 C GLU A 86 5.105 -8.439 0.849 1.00 0.00 C ATOM 224 O GLU A 86 4.369 -8.937 -0.004 1.00 0.00 O ATOM 225 CB GLU A 86 5.397 -10.033 2.755 1.00 0.00 C ATOM 226 CG GLU A 86 6.324 -10.902 3.589 1.00 0.00 C ATOM 227 CD GLU A 86 6.508 -12.288 3.003 1.00 0.00 C ATOM 228 OE1 GLU A 86 6.810 -12.387 1.795 1.00 0.00 O ATOM 229 OE2 GLU A 86 6.351 -13.274 3.753 1.00 0.00 O ATOM 0 H GLU A 86 6.899 -7.744 2.783 1.00 0.00 H new ATOM 0 HA GLU A 86 6.535 -10.027 0.931 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.915 -9.303 3.405 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.607 -10.657 2.336 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.296 -10.415 3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.924 -10.989 4.599 1.00 0.00 H new ATOM 236 N LEU A 87 5.082 -7.147 1.158 1.00 0.00 N ATOM 237 CA LEU A 87 4.170 -6.219 0.497 1.00 0.00 C ATOM 238 C LEU A 87 4.003 -6.576 -0.976 1.00 0.00 C ATOM 239 O LEU A 87 2.910 -6.467 -1.532 1.00 0.00 O ATOM 240 CB LEU A 87 4.686 -4.785 0.631 1.00 0.00 C ATOM 241 CG LEU A 87 5.402 -4.448 1.940 1.00 0.00 C ATOM 242 CD1 LEU A 87 4.728 -5.145 3.111 1.00 0.00 C ATOM 243 CD2 LEU A 87 6.871 -4.837 1.860 1.00 0.00 C ATOM 0 H LEU A 87 5.684 -6.718 1.861 1.00 0.00 H new ATOM 0 HA LEU A 87 3.197 -6.296 0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.370 -4.588 -0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.842 -4.104 0.516 1.00 0.00 H new ATOM 0 HG LEU A 87 5.340 -3.371 2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.251 -4.894 4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.691 -4.818 3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.759 -6.224 2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.365 -4.590 2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.954 -5.908 1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.348 -4.292 1.046 1.00 0.00 H new ATOM 255 N LYS A 88 5.093 -7.005 -1.603 1.00 0.00 N ATOM 256 CA LYS A 88 5.067 -7.381 -3.012 1.00 0.00 C ATOM 257 C LYS A 88 4.059 -8.500 -3.257 1.00 0.00 C ATOM 258 O LYS A 88 4.069 -9.520 -2.570 1.00 0.00 O ATOM 259 CB LYS A 88 6.459 -7.825 -3.467 1.00 0.00 C ATOM 260 CG LYS A 88 6.737 -7.546 -4.934 1.00 0.00 C ATOM 261 CD LYS A 88 6.206 -8.658 -5.824 1.00 0.00 C ATOM 262 CE LYS A 88 7.133 -9.863 -5.823 1.00 0.00 C ATOM 263 NZ LYS A 88 6.785 -10.830 -4.744 1.00 0.00 N ATOM 0 H LYS A 88 6.006 -7.101 -1.158 1.00 0.00 H new ATOM 0 HA LYS A 88 4.763 -6.509 -3.591 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.209 -7.317 -2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.569 -8.893 -3.282 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.277 -6.600 -5.219 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.811 -7.437 -5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.216 -8.959 -5.481 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.091 -8.287 -6.842 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.080 -10.363 -6.790 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.162 -9.529 -5.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.829 -11.799 -5.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.460 -10.732 -3.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.823 -10.635 -4.400 1.00 0.00 H new ATOM 277 N GLY A 89 3.191 -8.302 -4.244 1.00 0.00 N ATOM 278 CA GLY A 89 2.190 -9.303 -4.564 1.00 0.00 C ATOM 279 C GLY A 89 0.904 -9.105 -3.787 1.00 0.00 C ATOM 280 O GLY A 89 -0.177 -9.458 -4.260 1.00 0.00 O ATOM 0 H GLY A 89 3.163 -7.466 -4.828 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.975 -9.269 -5.632 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.591 -10.294 -4.351 1.00 0.00 H new ATOM 284 N LYS A 90 1.018 -8.541 -2.589 1.00 0.00 N ATOM 285 CA LYS A 90 -0.144 -8.298 -1.743 1.00 0.00 C ATOM 286 C LYS A 90 -0.997 -7.164 -2.304 1.00 0.00 C ATOM 287 O LYS A 90 -0.572 -6.442 -3.205 1.00 0.00 O ATOM 288 CB LYS A 90 0.299 -7.960 -0.318 1.00 0.00 C ATOM 289 CG LYS A 90 0.894 -9.140 0.430 1.00 0.00 C ATOM 290 CD LYS A 90 1.316 -8.753 1.838 1.00 0.00 C ATOM 291 CE LYS A 90 2.170 -9.835 2.481 1.00 0.00 C ATOM 292 NZ LYS A 90 1.339 -10.864 3.166 1.00 0.00 N ATOM 0 H LYS A 90 1.905 -8.243 -2.182 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.745 -9.207 -1.724 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.035 -7.157 -0.356 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.558 -7.582 0.240 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.164 -9.948 0.477 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.756 -9.521 -0.117 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.874 -7.817 1.807 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.431 -8.576 2.449 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.785 -10.313 1.719 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.851 -9.380 3.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.958 -11.583 3.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.771 -10.412 3.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.707 -11.316 2.475 1.00 0.00 H new ATOM 306 N VAL A 91 -2.202 -7.014 -1.763 1.00 0.00 N ATOM 307 CA VAL A 91 -3.114 -5.966 -2.208 1.00 0.00 C ATOM 308 C VAL A 91 -3.453 -5.013 -1.068 1.00 0.00 C ATOM 309 O VAL A 91 -3.922 -5.433 -0.011 1.00 0.00 O ATOM 310 CB VAL A 91 -4.418 -6.560 -2.771 1.00 0.00 C ATOM 311 CG1 VAL A 91 -5.335 -5.455 -3.274 1.00 0.00 C ATOM 312 CG2 VAL A 91 -4.115 -7.558 -3.879 1.00 0.00 C ATOM 0 H VAL A 91 -2.569 -7.604 -1.017 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.603 -5.415 -2.998 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.932 -7.089 -1.968 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.251 -5.894 -3.668 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.579 -4.782 -2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.832 -4.896 -4.063 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.048 -7.968 -4.265 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.579 -7.056 -4.684 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.501 -8.366 -3.483 1.00 0.00 H new ATOM 322 N GLY A 92 -3.212 -3.724 -1.290 1.00 0.00 N ATOM 323 CA GLY A 92 -3.498 -2.729 -0.272 1.00 0.00 C ATOM 324 C GLY A 92 -4.539 -1.723 -0.722 1.00 0.00 C ATOM 325 O GLY A 92 -5.176 -1.898 -1.761 1.00 0.00 O ATOM 0 H GLY A 92 -2.824 -3.351 -2.156 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.846 -3.228 0.632 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.578 -2.204 -0.012 1.00 0.00 H new ATOM 329 N LYS A 93 -4.714 -0.665 0.062 1.00 0.00 N ATOM 330 CA LYS A 93 -5.684 0.375 -0.259 1.00 0.00 C ATOM 331 C LYS A 93 -5.082 1.762 -0.061 1.00 0.00 C ATOM 332 O LYS A 93 -4.521 2.061 0.993 1.00 0.00 O ATOM 333 CB LYS A 93 -6.934 0.221 0.611 1.00 0.00 C ATOM 334 CG LYS A 93 -8.014 1.246 0.312 1.00 0.00 C ATOM 335 CD LYS A 93 -8.826 1.579 1.552 1.00 0.00 C ATOM 336 CE LYS A 93 -7.989 2.321 2.583 1.00 0.00 C ATOM 337 NZ LYS A 93 -8.830 2.893 3.671 1.00 0.00 N ATOM 0 H LYS A 93 -4.196 -0.505 0.926 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.962 0.266 -1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.344 -0.779 0.469 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.649 0.302 1.660 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.556 2.155 -0.079 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -8.675 0.863 -0.465 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -9.686 2.188 1.273 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -9.216 0.660 1.991 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.254 1.640 3.012 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -7.435 3.122 2.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -8.223 3.391 4.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -9.515 3.562 3.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -9.340 2.127 4.155 1.00 0.00 H new ATOM 351 N VAL A 94 -5.203 2.606 -1.081 1.00 0.00 N ATOM 352 CA VAL A 94 -4.672 3.962 -1.018 1.00 0.00 C ATOM 353 C VAL A 94 -5.278 4.735 0.148 1.00 0.00 C ATOM 354 O VAL A 94 -6.498 4.786 0.307 1.00 0.00 O ATOM 355 CB VAL A 94 -4.942 4.732 -2.325 1.00 0.00 C ATOM 356 CG1 VAL A 94 -3.994 4.270 -3.421 1.00 0.00 C ATOM 357 CG2 VAL A 94 -6.391 4.561 -2.754 1.00 0.00 C ATOM 0 H VAL A 94 -5.664 2.374 -1.961 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.595 3.874 -0.872 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.763 5.792 -2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.199 4.824 -4.337 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.964 4.449 -3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.138 3.205 -3.602 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.564 5.111 -3.679 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.600 3.504 -2.917 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.049 4.945 -1.975 1.00 0.00 H new ATOM 367 N VAL A 95 -4.417 5.338 0.963 1.00 0.00 N ATOM 368 CA VAL A 95 -4.867 6.111 2.114 1.00 0.00 C ATOM 369 C VAL A 95 -4.586 7.597 1.923 1.00 0.00 C ATOM 370 O VAL A 95 -5.072 8.435 2.682 1.00 0.00 O ATOM 371 CB VAL A 95 -4.186 5.633 3.411 1.00 0.00 C ATOM 372 CG1 VAL A 95 -4.624 4.218 3.755 1.00 0.00 C ATOM 373 CG2 VAL A 95 -2.673 5.715 3.279 1.00 0.00 C ATOM 0 H VAL A 95 -3.404 5.306 0.847 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.943 5.956 2.198 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.493 6.290 4.225 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.132 3.898 4.674 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.705 4.196 3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.349 3.545 2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.208 5.374 4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.345 5.083 2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.380 6.747 3.085 1.00 0.00 H new ATOM 383 N LYS A 96 -3.798 7.917 0.902 1.00 0.00 N ATOM 384 CA LYS A 96 -3.452 9.303 0.608 1.00 0.00 C ATOM 385 C LYS A 96 -2.669 9.402 -0.698 1.00 0.00 C ATOM 386 O LYS A 96 -1.955 8.474 -1.077 1.00 0.00 O ATOM 387 CB LYS A 96 -2.631 9.899 1.753 1.00 0.00 C ATOM 388 CG LYS A 96 -2.821 11.397 1.922 1.00 0.00 C ATOM 389 CD LYS A 96 -1.866 11.967 2.957 1.00 0.00 C ATOM 390 CE LYS A 96 -0.467 12.146 2.386 1.00 0.00 C ATOM 391 NZ LYS A 96 -0.341 13.414 1.616 1.00 0.00 N ATOM 0 H LYS A 96 -3.387 7.235 0.264 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.378 9.868 0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.903 9.399 2.683 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.575 9.693 1.578 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.662 11.895 0.966 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.849 11.603 2.221 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -2.242 12.927 3.310 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.825 11.303 3.821 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.260 12.140 3.198 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.228 11.302 1.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.626 13.499 1.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.017 13.409 0.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.544 14.221 2.240 1.00 0.00 H new ATOM 405 N ILE A 97 -2.808 10.534 -1.380 1.00 0.00 N ATOM 406 CA ILE A 97 -2.112 10.755 -2.642 1.00 0.00 C ATOM 407 C ILE A 97 -1.392 12.099 -2.644 1.00 0.00 C ATOM 408 O ILE A 97 -1.912 13.094 -2.141 1.00 0.00 O ATOM 409 CB ILE A 97 -3.082 10.703 -3.837 1.00 0.00 C ATOM 410 CG1 ILE A 97 -3.725 9.318 -3.939 1.00 0.00 C ATOM 411 CG2 ILE A 97 -2.353 11.051 -5.126 1.00 0.00 C ATOM 412 CD1 ILE A 97 -4.974 9.168 -3.100 1.00 0.00 C ATOM 0 H ILE A 97 -3.396 11.312 -1.080 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.381 9.953 -2.744 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.871 11.439 -3.679 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.971 9.117 -4.982 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.998 8.566 -3.632 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.052 11.010 -5.962 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.938 12.056 -5.049 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.546 10.337 -5.292 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.375 8.162 -3.222 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.730 9.337 -2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.718 9.897 -3.422 1.00 0.00 H new ATOM 424 N ALA A 98 -0.192 12.121 -3.216 1.00 0.00 N ATOM 425 CA ALA A 98 0.598 13.344 -3.288 1.00 0.00 C ATOM 426 C ALA A 98 1.558 13.308 -4.472 1.00 0.00 C ATOM 427 O ALA A 98 2.279 12.331 -4.668 1.00 0.00 O ATOM 428 CB ALA A 98 1.364 13.554 -1.991 1.00 0.00 C ATOM 0 H ALA A 98 0.254 11.306 -3.636 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.085 14.181 -3.433 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.950 14.471 -2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.661 13.633 -1.162 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.031 12.709 -1.822 1.00 0.00 H new ATOM 434 N GLU A 99 1.560 14.380 -5.259 1.00 0.00 N ATOM 435 CA GLU A 99 2.431 14.469 -6.425 1.00 0.00 C ATOM 436 C GLU A 99 3.834 13.967 -6.096 1.00 0.00 C ATOM 437 O GLU A 99 4.387 13.128 -6.807 1.00 0.00 O ATOM 438 CB GLU A 99 2.499 15.912 -6.929 1.00 0.00 C ATOM 439 CG GLU A 99 2.731 16.023 -8.427 1.00 0.00 C ATOM 440 CD GLU A 99 2.982 17.450 -8.874 1.00 0.00 C ATOM 441 OE1 GLU A 99 2.378 18.372 -8.286 1.00 0.00 O ATOM 442 OE2 GLU A 99 3.782 17.645 -9.812 1.00 0.00 O ATOM 0 H GLU A 99 0.969 15.198 -5.110 1.00 0.00 H new ATOM 0 HA GLU A 99 2.012 13.837 -7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.569 16.421 -6.675 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.301 16.433 -6.406 1.00 0.00 H new ATOM 0 HG2 GLU A 99 3.583 15.404 -8.706 1.00 0.00 H new ATOM 0 HG3 GLU A 99 1.863 15.628 -8.956 1.00 0.00 H new ATOM 449 N ASP A 100 4.403 14.486 -5.014 1.00 0.00 N ATOM 450 CA ASP A 100 5.741 14.090 -4.589 1.00 0.00 C ATOM 451 C ASP A 100 5.800 12.593 -4.305 1.00 0.00 C ATOM 452 O ASP A 100 6.794 11.932 -4.608 1.00 0.00 O ATOM 453 CB ASP A 100 6.156 14.875 -3.343 1.00 0.00 C ATOM 454 CG ASP A 100 6.482 16.323 -3.653 1.00 0.00 C ATOM 455 OD1 ASP A 100 7.035 16.587 -4.741 1.00 0.00 O ATOM 456 OD2 ASP A 100 6.184 17.192 -2.807 1.00 0.00 O ATOM 0 H ASP A 100 3.959 15.182 -4.415 1.00 0.00 H new ATOM 0 HA ASP A 100 6.435 14.315 -5.399 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.352 14.836 -2.608 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.026 14.399 -2.890 1.00 0.00 H new ATOM 461 N HIS A 101 4.730 12.063 -3.720 1.00 0.00 N ATOM 462 CA HIS A 101 4.660 10.643 -3.395 1.00 0.00 C ATOM 463 C HIS A 101 3.242 10.246 -2.998 1.00 0.00 C ATOM 464 O HIS A 101 2.443 11.087 -2.588 1.00 0.00 O ATOM 465 CB HIS A 101 5.632 10.309 -2.263 1.00 0.00 C ATOM 466 CG HIS A 101 5.219 10.866 -0.935 1.00 0.00 C ATOM 467 ND1 HIS A 101 5.529 12.146 -0.527 1.00 0.00 N ATOM 468 CD2 HIS A 101 4.515 10.309 0.078 1.00 0.00 C ATOM 469 CE1 HIS A 101 5.035 12.352 0.681 1.00 0.00 C ATOM 470 NE2 HIS A 101 4.414 11.253 1.070 1.00 0.00 N ATOM 0 H HIS A 101 3.900 12.596 -3.461 1.00 0.00 H new ATOM 0 HA HIS A 101 4.941 10.078 -4.284 1.00 0.00 H new ATOM 0 HB2 HIS A 101 5.723 9.226 -2.181 1.00 0.00 H new ATOM 0 HB3 HIS A 101 6.620 10.694 -2.518 1.00 0.00 H new ATOM 0 HD2 HIS A 101 4.109 9.309 0.102 1.00 0.00 H new ATOM 0 HE1 HIS A 101 5.124 13.264 1.253 1.00 0.00 H new ATOM 0 HE2 HIS A 101 3.937 11.126 1.963 1.00 0.00 H new ATOM 479 N TYR A 102 2.937 8.959 -3.122 1.00 0.00 N ATOM 480 CA TYR A 102 1.614 8.450 -2.779 1.00 0.00 C ATOM 481 C TYR A 102 1.663 7.624 -1.497 1.00 0.00 C ATOM 482 O TYR A 102 2.655 6.949 -1.218 1.00 0.00 O ATOM 483 CB TYR A 102 1.057 7.603 -3.924 1.00 0.00 C ATOM 484 CG TYR A 102 0.996 8.336 -5.245 1.00 0.00 C ATOM 485 CD1 TYR A 102 2.147 8.840 -5.837 1.00 0.00 C ATOM 486 CD2 TYR A 102 -0.215 8.523 -5.902 1.00 0.00 C ATOM 487 CE1 TYR A 102 2.095 9.511 -7.044 1.00 0.00 C ATOM 488 CE2 TYR A 102 -0.276 9.192 -7.110 1.00 0.00 C ATOM 489 CZ TYR A 102 0.882 9.684 -7.676 1.00 0.00 C ATOM 490 OH TYR A 102 0.826 10.350 -8.879 1.00 0.00 O ATOM 0 H TYR A 102 3.588 8.249 -3.458 1.00 0.00 H new ATOM 0 HA TYR A 102 0.956 9.304 -2.615 1.00 0.00 H new ATOM 0 HB2 TYR A 102 1.675 6.713 -4.040 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.055 7.263 -3.660 1.00 0.00 H new ATOM 0 HD1 TYR A 102 3.099 8.705 -5.345 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.123 8.139 -5.461 1.00 0.00 H new ATOM 0 HE1 TYR A 102 3.000 9.898 -7.490 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.225 9.329 -7.608 1.00 0.00 H new ATOM 0 HH TYR A 102 0.982 9.717 -9.611 1.00 0.00 H new ATOM 500 N LEU A 103 0.586 7.682 -0.722 1.00 0.00 N ATOM 501 CA LEU A 103 0.504 6.939 0.530 1.00 0.00 C ATOM 502 C LEU A 103 -0.369 5.698 0.371 1.00 0.00 C ATOM 503 O LEU A 103 -1.596 5.790 0.342 1.00 0.00 O ATOM 504 CB LEU A 103 -0.055 7.831 1.640 1.00 0.00 C ATOM 505 CG LEU A 103 0.425 7.520 3.058 1.00 0.00 C ATOM 506 CD1 LEU A 103 1.906 7.834 3.201 1.00 0.00 C ATOM 507 CD2 LEU A 103 -0.388 8.301 4.080 1.00 0.00 C ATOM 0 H LEU A 103 -0.243 8.236 -0.939 1.00 0.00 H new ATOM 0 HA LEU A 103 1.511 6.620 0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.201 8.865 1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.143 7.760 1.622 1.00 0.00 H new ATOM 0 HG LEU A 103 0.280 6.456 3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.230 7.606 4.217 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.476 7.230 2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.075 8.891 2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -0.032 8.067 5.083 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.275 9.369 3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.440 8.027 3.995 1.00 0.00 H new ATOM 519 N VAL A 104 0.273 4.539 0.271 1.00 0.00 N ATOM 520 CA VAL A 104 -0.445 3.279 0.119 1.00 0.00 C ATOM 521 C VAL A 104 -0.330 2.425 1.377 1.00 0.00 C ATOM 522 O VAL A 104 0.771 2.137 1.844 1.00 0.00 O ATOM 523 CB VAL A 104 0.083 2.474 -1.084 1.00 0.00 C ATOM 524 CG1 VAL A 104 -0.966 1.482 -1.565 1.00 0.00 C ATOM 525 CG2 VAL A 104 0.498 3.410 -2.209 1.00 0.00 C ATOM 0 H VAL A 104 1.289 4.446 0.292 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.492 3.530 -0.052 1.00 0.00 H new ATOM 0 HB VAL A 104 0.961 1.912 -0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.575 0.923 -2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.211 0.792 -0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -1.864 2.020 -1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.869 2.825 -3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.362 4.000 -2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.285 4.077 -1.856 1.00 0.00 H new ATOM 535 N GLU A 105 -1.475 2.023 1.919 1.00 0.00 N ATOM 536 CA GLU A 105 -1.503 1.202 3.124 1.00 0.00 C ATOM 537 C GLU A 105 -1.513 -0.283 2.770 1.00 0.00 C ATOM 538 O GLU A 105 -2.531 -0.821 2.334 1.00 0.00 O ATOM 539 CB GLU A 105 -2.728 1.544 3.973 1.00 0.00 C ATOM 540 CG GLU A 105 -2.968 0.571 5.115 1.00 0.00 C ATOM 541 CD GLU A 105 -4.222 0.894 5.904 1.00 0.00 C ATOM 542 OE1 GLU A 105 -4.184 1.839 6.718 1.00 0.00 O ATOM 543 OE2 GLU A 105 -5.242 0.201 5.705 1.00 0.00 O ATOM 0 H GLU A 105 -2.395 2.252 1.543 1.00 0.00 H new ATOM 0 HA GLU A 105 -0.602 1.415 3.699 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -2.608 2.548 4.381 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -3.610 1.564 3.332 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -3.045 -0.440 4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.108 0.584 5.785 1.00 0.00 H new ATOM 550 N VAL A 106 -0.373 -0.939 2.961 1.00 0.00 N ATOM 551 CA VAL A 106 -0.250 -2.361 2.664 1.00 0.00 C ATOM 552 C VAL A 106 -0.204 -3.188 3.943 1.00 0.00 C ATOM 553 O VAL A 106 0.613 -2.935 4.828 1.00 0.00 O ATOM 554 CB VAL A 106 1.012 -2.653 1.830 1.00 0.00 C ATOM 555 CG1 VAL A 106 1.130 -4.142 1.543 1.00 0.00 C ATOM 556 CG2 VAL A 106 0.993 -1.852 0.537 1.00 0.00 C ATOM 0 H VAL A 106 0.479 -0.508 3.320 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.131 -2.641 2.086 1.00 0.00 H new ATOM 0 HB VAL A 106 1.886 -2.348 2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.027 -4.329 0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.193 -4.690 2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.254 -4.476 0.987 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.892 -2.071 -0.040 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.113 -2.123 -0.046 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.961 -0.787 0.769 1.00 0.00 H new ATOM 566 N GLU A 107 -1.086 -4.179 4.034 1.00 0.00 N ATOM 567 CA GLU A 107 -1.146 -5.043 5.206 1.00 0.00 C ATOM 568 C GLU A 107 -1.211 -4.218 6.488 1.00 0.00 C ATOM 569 O GLU A 107 -0.589 -4.560 7.492 1.00 0.00 O ATOM 570 CB GLU A 107 0.071 -5.971 5.246 1.00 0.00 C ATOM 571 CG GLU A 107 -0.138 -7.280 4.504 1.00 0.00 C ATOM 572 CD GLU A 107 -1.289 -8.092 5.066 1.00 0.00 C ATOM 573 OE1 GLU A 107 -2.449 -7.812 4.696 1.00 0.00 O ATOM 574 OE2 GLU A 107 -1.031 -9.006 5.877 1.00 0.00 O ATOM 0 H GLU A 107 -1.768 -4.403 3.310 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.052 -5.645 5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.928 -5.452 4.816 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.318 -6.188 6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.326 -7.070 3.451 1.00 0.00 H new ATOM 0 HG3 GLU A 107 0.777 -7.871 4.553 1.00 0.00 H new ATOM 581 N GLY A 108 -1.971 -3.127 6.445 1.00 0.00 N ATOM 582 CA GLY A 108 -2.104 -2.269 7.608 1.00 0.00 C ATOM 583 C GLY A 108 -0.836 -1.492 7.903 1.00 0.00 C ATOM 584 O GLY A 108 -0.510 -1.241 9.063 1.00 0.00 O ATOM 0 H GLY A 108 -2.497 -2.823 5.626 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -2.926 -1.571 7.449 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.365 -2.876 8.475 1.00 0.00 H new ATOM 588 N ASP A 109 -0.119 -1.112 6.851 1.00 0.00 N ATOM 589 CA ASP A 109 1.120 -0.359 7.003 1.00 0.00 C ATOM 590 C ASP A 109 1.299 0.631 5.856 1.00 0.00 C ATOM 591 O ASP A 109 1.329 0.245 4.687 1.00 0.00 O ATOM 592 CB ASP A 109 2.316 -1.310 7.062 1.00 0.00 C ATOM 593 CG ASP A 109 2.494 -1.932 8.433 1.00 0.00 C ATOM 594 OD1 ASP A 109 2.101 -1.292 9.431 1.00 0.00 O ATOM 595 OD2 ASP A 109 3.025 -3.060 8.509 1.00 0.00 O ATOM 0 H ASP A 109 -0.375 -1.313 5.884 1.00 0.00 H new ATOM 0 HA ASP A 109 1.063 0.200 7.937 1.00 0.00 H new ATOM 0 HB2 ASP A 109 2.185 -2.100 6.322 1.00 0.00 H new ATOM 0 HB3 ASP A 109 3.222 -0.767 6.792 1.00 0.00 H new ATOM 600 N LYS A 110 1.415 1.910 6.198 1.00 0.00 N ATOM 601 CA LYS A 110 1.590 2.957 5.198 1.00 0.00 C ATOM 602 C LYS A 110 2.906 2.778 4.447 1.00 0.00 C ATOM 603 O LYS A 110 3.914 2.380 5.031 1.00 0.00 O ATOM 604 CB LYS A 110 1.552 4.335 5.861 1.00 0.00 C ATOM 605 CG LYS A 110 0.304 4.576 6.693 1.00 0.00 C ATOM 606 CD LYS A 110 0.036 6.060 6.879 1.00 0.00 C ATOM 607 CE LYS A 110 -1.420 6.323 7.234 1.00 0.00 C ATOM 608 NZ LYS A 110 -1.713 7.780 7.328 1.00 0.00 N ATOM 0 H LYS A 110 1.391 2.246 7.161 1.00 0.00 H new ATOM 0 HA LYS A 110 0.771 2.882 4.483 1.00 0.00 H new ATOM 0 HB2 LYS A 110 2.430 4.447 6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.618 5.102 5.089 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.553 4.108 6.209 1.00 0.00 H new ATOM 0 HG3 LYS A 110 0.418 4.101 7.667 1.00 0.00 H new ATOM 0 HD2 LYS A 110 0.680 6.451 7.666 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.291 6.594 5.964 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.065 5.871 6.481 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.655 5.843 8.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.598 7.923 7.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.934 8.260 7.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -1.812 8.177 6.372 1.00 0.00 H new ATOM 622 N TRP A 111 2.888 3.075 3.153 1.00 0.00 N ATOM 623 CA TRP A 111 4.081 2.948 2.324 1.00 0.00 C ATOM 624 C TRP A 111 4.239 4.157 1.408 1.00 0.00 C ATOM 625 O TRP A 111 3.307 4.945 1.240 1.00 0.00 O ATOM 626 CB TRP A 111 4.015 1.667 1.492 1.00 0.00 C ATOM 627 CG TRP A 111 4.218 0.422 2.301 1.00 0.00 C ATOM 628 CD1 TRP A 111 3.252 -0.444 2.728 1.00 0.00 C ATOM 629 CD2 TRP A 111 5.463 -0.095 2.782 1.00 0.00 C ATOM 630 NE1 TRP A 111 3.822 -1.468 3.446 1.00 0.00 N ATOM 631 CE2 TRP A 111 5.178 -1.277 3.492 1.00 0.00 C ATOM 632 CE3 TRP A 111 6.792 0.325 2.679 1.00 0.00 C ATOM 633 CZ2 TRP A 111 6.173 -2.041 4.097 1.00 0.00 C ATOM 634 CZ3 TRP A 111 7.779 -0.434 3.280 1.00 0.00 C ATOM 635 CH2 TRP A 111 7.465 -1.606 3.980 1.00 0.00 C ATOM 0 H TRP A 111 2.061 3.405 2.655 1.00 0.00 H new ATOM 0 HA TRP A 111 4.948 2.900 2.983 1.00 0.00 H new ATOM 0 HB2 TRP A 111 3.046 1.615 0.995 1.00 0.00 H new ATOM 0 HB3 TRP A 111 4.773 1.711 0.710 1.00 0.00 H new ATOM 0 HD1 TRP A 111 2.195 -0.339 2.530 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.318 -2.244 3.875 1.00 0.00 H new ATOM 0 HE3 TRP A 111 7.043 1.226 2.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 5.933 -2.944 4.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.809 -0.118 3.209 1.00 0.00 H new ATOM 0 HH2 TRP A 111 8.259 -2.178 4.437 1.00 0.00 H new ATOM 646 N ILE A 112 5.421 4.297 0.818 1.00 0.00 N ATOM 647 CA ILE A 112 5.698 5.409 -0.082 1.00 0.00 C ATOM 648 C ILE A 112 5.853 4.927 -1.521 1.00 0.00 C ATOM 649 O ILE A 112 6.955 4.599 -1.961 1.00 0.00 O ATOM 650 CB ILE A 112 6.973 6.166 0.334 1.00 0.00 C ATOM 651 CG1 ILE A 112 6.780 6.821 1.703 1.00 0.00 C ATOM 652 CG2 ILE A 112 7.334 7.211 -0.712 1.00 0.00 C ATOM 653 CD1 ILE A 112 7.000 5.873 2.862 1.00 0.00 C ATOM 0 H ILE A 112 6.202 3.654 0.947 1.00 0.00 H new ATOM 0 HA ILE A 112 4.846 6.086 -0.018 1.00 0.00 H new ATOM 0 HB ILE A 112 7.794 5.452 0.406 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.468 7.661 1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.771 7.228 1.763 1.00 0.00 H new ATOM 0 HG21 ILE A 112 8.237 7.738 -0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.509 6.722 -1.670 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.515 7.923 -0.812 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.847 6.405 3.801 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.294 5.045 2.794 1.00 0.00 H new ATOM 0 HD13 ILE A 112 8.018 5.485 2.827 1.00 0.00 H new ATOM 665 N ALA A 113 4.742 4.888 -2.249 1.00 0.00 N ATOM 666 CA ALA A 113 4.755 4.450 -3.639 1.00 0.00 C ATOM 667 C ALA A 113 4.376 5.591 -4.578 1.00 0.00 C ATOM 668 O ALA A 113 3.875 6.627 -4.141 1.00 0.00 O ATOM 669 CB ALA A 113 3.812 3.271 -3.830 1.00 0.00 C ATOM 0 H ALA A 113 3.822 5.154 -1.899 1.00 0.00 H new ATOM 0 HA ALA A 113 5.769 4.134 -3.885 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.832 2.954 -4.873 1.00 0.00 H new ATOM 0 HB2 ALA A 113 4.129 2.445 -3.194 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.799 3.568 -3.560 1.00 0.00 H new ATOM 675 N TYR A 114 4.619 5.393 -5.869 1.00 0.00 N ATOM 676 CA TYR A 114 4.305 6.407 -6.869 1.00 0.00 C ATOM 677 C TYR A 114 3.700 5.772 -8.117 1.00 0.00 C ATOM 678 O TYR A 114 4.238 4.806 -8.659 1.00 0.00 O ATOM 679 CB TYR A 114 5.564 7.192 -7.241 1.00 0.00 C ATOM 680 CG TYR A 114 6.721 6.316 -7.665 1.00 0.00 C ATOM 681 CD1 TYR A 114 7.369 5.497 -6.748 1.00 0.00 C ATOM 682 CD2 TYR A 114 7.168 6.309 -8.980 1.00 0.00 C ATOM 683 CE1 TYR A 114 8.427 4.695 -7.130 1.00 0.00 C ATOM 684 CE2 TYR A 114 8.224 5.509 -9.371 1.00 0.00 C ATOM 685 CZ TYR A 114 8.851 4.704 -8.443 1.00 0.00 C ATOM 686 OH TYR A 114 9.904 3.908 -8.828 1.00 0.00 O ATOM 0 H TYR A 114 5.032 4.541 -6.247 1.00 0.00 H new ATOM 0 HA TYR A 114 3.572 7.090 -6.440 1.00 0.00 H new ATOM 0 HB2 TYR A 114 5.326 7.882 -8.051 1.00 0.00 H new ATOM 0 HB3 TYR A 114 5.871 7.796 -6.387 1.00 0.00 H new ATOM 0 HD1 TYR A 114 7.040 5.487 -5.719 1.00 0.00 H new ATOM 0 HD2 TYR A 114 6.682 6.940 -9.709 1.00 0.00 H new ATOM 0 HE1 TYR A 114 8.920 4.064 -6.405 1.00 0.00 H new ATOM 0 HE2 TYR A 114 8.557 5.514 -10.398 1.00 0.00 H new ATOM 0 HH TYR A 114 10.075 4.032 -9.785 1.00 0.00 H new ATOM 696 N SER A 115 2.578 6.322 -8.569 1.00 0.00 N ATOM 697 CA SER A 115 1.897 5.809 -9.752 1.00 0.00 C ATOM 698 C SER A 115 1.771 6.892 -10.819 1.00 0.00 C ATOM 699 O SER A 115 1.343 8.011 -10.536 1.00 0.00 O ATOM 700 CB SER A 115 0.510 5.280 -9.378 1.00 0.00 C ATOM 701 OG SER A 115 -0.287 5.082 -10.533 1.00 0.00 O ATOM 0 H SER A 115 2.121 7.123 -8.134 1.00 0.00 H new ATOM 0 HA SER A 115 2.492 4.992 -10.159 1.00 0.00 H new ATOM 0 HB2 SER A 115 0.610 4.340 -8.835 1.00 0.00 H new ATOM 0 HB3 SER A 115 0.017 5.984 -8.708 1.00 0.00 H new ATOM 0 HG SER A 115 -0.983 5.770 -10.572 1.00 0.00 H new ATOM 707 N ASP A 116 2.146 6.550 -12.046 1.00 0.00 N ATOM 708 CA ASP A 116 2.075 7.492 -13.158 1.00 0.00 C ATOM 709 C ASP A 116 0.632 7.911 -13.423 1.00 0.00 C ATOM 710 O ASP A 116 0.375 9.008 -13.917 1.00 0.00 O ATOM 711 CB ASP A 116 2.679 6.872 -14.419 1.00 0.00 C ATOM 712 CG ASP A 116 2.282 7.618 -15.677 1.00 0.00 C ATOM 713 OD1 ASP A 116 1.091 7.560 -16.050 1.00 0.00 O ATOM 714 OD2 ASP A 116 3.162 8.258 -16.290 1.00 0.00 O ATOM 0 H ASP A 116 2.502 5.628 -12.297 1.00 0.00 H new ATOM 0 HA ASP A 116 2.649 8.379 -12.888 1.00 0.00 H new ATOM 0 HB2 ASP A 116 3.766 6.864 -14.332 1.00 0.00 H new ATOM 0 HB3 ASP A 116 2.358 5.833 -14.499 1.00 0.00 H new ATOM 719 N GLU A 117 -0.306 7.028 -13.092 1.00 0.00 N ATOM 720 CA GLU A 117 -1.722 7.307 -13.296 1.00 0.00 C ATOM 721 C GLU A 117 -2.384 7.749 -11.994 1.00 0.00 C ATOM 722 O GLU A 117 -2.542 6.957 -11.065 1.00 0.00 O ATOM 723 CB GLU A 117 -2.434 6.069 -13.848 1.00 0.00 C ATOM 724 CG GLU A 117 -2.480 4.908 -12.870 1.00 0.00 C ATOM 725 CD GLU A 117 -2.835 3.594 -13.540 1.00 0.00 C ATOM 726 OE1 GLU A 117 -3.888 3.536 -14.209 1.00 0.00 O ATOM 727 OE2 GLU A 117 -2.061 2.625 -13.395 1.00 0.00 O ATOM 0 H GLU A 117 -0.110 6.115 -12.682 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.805 8.119 -14.019 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -3.453 6.340 -14.126 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -1.930 5.746 -14.759 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -1.511 4.812 -12.380 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -3.211 5.123 -12.091 1.00 0.00 H new ATOM 734 N LYS A 118 -2.767 9.020 -11.934 1.00 0.00 N ATOM 735 CA LYS A 118 -3.411 9.570 -10.747 1.00 0.00 C ATOM 736 C LYS A 118 -4.324 8.536 -10.095 1.00 0.00 C ATOM 737 O LYS A 118 -5.109 7.871 -10.772 1.00 0.00 O ATOM 738 CB LYS A 118 -4.217 10.819 -11.111 1.00 0.00 C ATOM 739 CG LYS A 118 -5.311 10.560 -12.133 1.00 0.00 C ATOM 740 CD LYS A 118 -4.750 10.484 -13.543 1.00 0.00 C ATOM 741 CE LYS A 118 -5.835 10.697 -14.587 1.00 0.00 C ATOM 742 NZ LYS A 118 -6.256 12.124 -14.667 1.00 0.00 N ATOM 0 H LYS A 118 -2.642 9.689 -12.694 1.00 0.00 H new ATOM 0 HA LYS A 118 -2.632 9.842 -10.035 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -4.666 11.228 -10.206 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -3.539 11.578 -11.501 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -5.821 9.627 -11.893 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -6.056 11.354 -12.079 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -3.972 11.237 -13.667 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -4.281 9.512 -13.697 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -5.471 10.371 -15.561 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -6.698 10.077 -14.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -6.826 12.270 -15.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -6.823 12.366 -13.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -5.414 12.733 -14.703 1.00 0.00 H new ATOM 756 N LEU A 119 -4.216 8.405 -8.777 1.00 0.00 N ATOM 757 CA LEU A 119 -5.033 7.453 -8.033 1.00 0.00 C ATOM 758 C LEU A 119 -6.126 8.171 -7.247 1.00 0.00 C ATOM 759 O LEU A 119 -6.113 9.395 -7.124 1.00 0.00 O ATOM 760 CB LEU A 119 -4.158 6.635 -7.081 1.00 0.00 C ATOM 761 CG LEU A 119 -2.951 5.939 -7.710 1.00 0.00 C ATOM 762 CD1 LEU A 119 -2.101 5.272 -6.640 1.00 0.00 C ATOM 763 CD2 LEU A 119 -3.402 4.921 -8.747 1.00 0.00 C ATOM 0 H LEU A 119 -3.571 8.946 -8.202 1.00 0.00 H new ATOM 0 HA LEU A 119 -5.507 6.781 -8.749 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -3.800 7.295 -6.291 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -4.782 5.878 -6.606 1.00 0.00 H new ATOM 0 HG LEU A 119 -2.343 6.692 -8.211 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -1.247 4.782 -7.107 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -1.747 6.024 -5.935 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -2.699 4.531 -6.110 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -2.529 4.436 -9.184 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -4.033 4.171 -8.270 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -3.967 5.426 -9.531 1.00 0.00 H new ATOM 775 N SER A 120 -7.069 7.399 -6.716 1.00 0.00 N ATOM 776 CA SER A 120 -8.171 7.961 -5.944 1.00 0.00 C ATOM 777 C SER A 120 -8.227 7.343 -4.550 1.00 0.00 C ATOM 778 O SER A 120 -7.949 6.157 -4.372 1.00 0.00 O ATOM 779 CB SER A 120 -9.498 7.735 -6.669 1.00 0.00 C ATOM 780 OG SER A 120 -9.315 7.712 -8.074 1.00 0.00 O ATOM 0 H SER A 120 -7.092 6.383 -6.806 1.00 0.00 H new ATOM 0 HA SER A 120 -8.001 9.033 -5.841 1.00 0.00 H new ATOM 0 HB2 SER A 120 -9.939 6.794 -6.341 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.200 8.525 -6.404 1.00 0.00 H new ATOM 0 HG SER A 120 -9.191 6.787 -8.373 1.00 0.00 H new ATOM 786 N LEU A 121 -8.590 8.156 -3.564 1.00 0.00 N ATOM 787 CA LEU A 121 -8.684 7.691 -2.184 1.00 0.00 C ATOM 788 C LEU A 121 -9.718 6.577 -2.055 1.00 0.00 C ATOM 789 O LEU A 121 -10.874 6.740 -2.444 1.00 0.00 O ATOM 790 CB LEU A 121 -9.049 8.852 -1.258 1.00 0.00 C ATOM 791 CG LEU A 121 -8.006 9.962 -1.129 1.00 0.00 C ATOM 792 CD1 LEU A 121 -8.629 11.214 -0.532 1.00 0.00 C ATOM 793 CD2 LEU A 121 -6.831 9.493 -0.282 1.00 0.00 C ATOM 0 H LEU A 121 -8.824 9.140 -3.694 1.00 0.00 H new ATOM 0 HA LEU A 121 -7.712 7.294 -1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -9.979 9.295 -1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -9.247 8.450 -0.264 1.00 0.00 H new ATOM 0 HG LEU A 121 -7.637 10.205 -2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -7.871 11.993 -0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -9.437 11.561 -1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -9.027 10.986 0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -6.098 10.296 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -7.185 9.222 0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -6.368 8.625 -0.751 1.00 0.00 H new ATOM 805 N GLY A 122 -9.294 5.444 -1.503 1.00 0.00 N ATOM 806 CA GLY A 122 -10.196 4.321 -1.329 1.00 0.00 C ATOM 807 C GLY A 122 -10.071 3.300 -2.443 1.00 0.00 C ATOM 808 O GLY A 122 -10.818 2.322 -2.484 1.00 0.00 O ATOM 0 H GLY A 122 -8.342 5.284 -1.173 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -9.991 3.839 -0.373 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -11.222 4.686 -1.288 1.00 0.00 H new ATOM 812 N ASP A 123 -9.127 3.527 -3.348 1.00 0.00 N ATOM 813 CA ASP A 123 -8.906 2.619 -4.468 1.00 0.00 C ATOM 814 C ASP A 123 -7.946 1.499 -4.079 1.00 0.00 C ATOM 815 O ASP A 123 -6.884 1.749 -3.510 1.00 0.00 O ATOM 816 CB ASP A 123 -8.356 3.385 -5.672 1.00 0.00 C ATOM 817 CG ASP A 123 -9.454 3.979 -6.533 1.00 0.00 C ATOM 818 OD1 ASP A 123 -10.629 3.602 -6.339 1.00 0.00 O ATOM 819 OD2 ASP A 123 -9.139 4.821 -7.399 1.00 0.00 O ATOM 0 H ASP A 123 -8.501 4.332 -3.329 1.00 0.00 H new ATOM 0 HA ASP A 123 -9.864 2.174 -4.737 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -7.701 4.183 -5.323 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -7.746 2.714 -6.278 1.00 0.00 H new ATOM 824 N ARG A 124 -8.328 0.265 -4.390 1.00 0.00 N ATOM 825 CA ARG A 124 -7.503 -0.893 -4.071 1.00 0.00 C ATOM 826 C ARG A 124 -6.391 -1.069 -5.101 1.00 0.00 C ATOM 827 O ARG A 124 -6.638 -1.046 -6.307 1.00 0.00 O ATOM 828 CB ARG A 124 -8.361 -2.158 -4.011 1.00 0.00 C ATOM 829 CG ARG A 124 -7.833 -3.208 -3.047 1.00 0.00 C ATOM 830 CD ARG A 124 -8.957 -4.070 -2.493 1.00 0.00 C ATOM 831 NE ARG A 124 -8.466 -5.061 -1.538 1.00 0.00 N ATOM 832 CZ ARG A 124 -9.258 -5.765 -0.737 1.00 0.00 C ATOM 833 NH1 ARG A 124 -10.572 -5.589 -0.777 1.00 0.00 N ATOM 834 NH2 ARG A 124 -8.737 -6.648 0.105 1.00 0.00 N ATOM 0 H ARG A 124 -9.204 0.042 -4.863 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.048 -0.724 -3.095 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -9.375 -1.885 -3.718 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -8.423 -2.592 -5.009 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -7.106 -3.840 -3.558 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -7.309 -2.719 -2.226 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -9.696 -3.433 -2.007 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -9.463 -4.577 -3.314 1.00 0.00 H new ATOM 0 HE ARG A 124 -7.460 -5.221 -1.483 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -10.976 -4.912 -1.424 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -11.178 -6.131 -0.161 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -7.727 -6.787 0.138 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -9.346 -7.188 0.719 1.00 0.00 H new ATOM 848 N VAL A 125 -5.165 -1.243 -4.617 1.00 0.00 N ATOM 849 CA VAL A 125 -4.015 -1.423 -5.495 1.00 0.00 C ATOM 850 C VAL A 125 -3.141 -2.581 -5.027 1.00 0.00 C ATOM 851 O VAL A 125 -3.109 -2.907 -3.840 1.00 0.00 O ATOM 852 CB VAL A 125 -3.159 -0.145 -5.568 1.00 0.00 C ATOM 853 CG1 VAL A 125 -3.997 1.034 -6.039 1.00 0.00 C ATOM 854 CG2 VAL A 125 -2.524 0.148 -4.217 1.00 0.00 C ATOM 0 H VAL A 125 -4.943 -1.263 -3.622 1.00 0.00 H new ATOM 0 HA VAL A 125 -4.407 -1.646 -6.487 1.00 0.00 H new ATOM 0 HB VAL A 125 -2.361 -0.304 -6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -3.375 1.928 -6.084 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -4.400 0.822 -7.029 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -4.818 1.199 -5.341 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -1.923 1.054 -4.287 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -3.306 0.288 -3.470 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -1.888 -0.688 -3.925 1.00 0.00 H new ATOM 864 N MET A 126 -2.433 -3.198 -5.966 1.00 0.00 N ATOM 865 CA MET A 126 -1.556 -4.320 -5.648 1.00 0.00 C ATOM 866 C MET A 126 -0.108 -3.994 -5.999 1.00 0.00 C ATOM 867 O MET A 126 0.196 -3.605 -7.127 1.00 0.00 O ATOM 868 CB MET A 126 -2.005 -5.575 -6.400 1.00 0.00 C ATOM 869 CG MET A 126 -1.095 -6.772 -6.181 1.00 0.00 C ATOM 870 SD MET A 126 -1.337 -8.063 -7.416 1.00 0.00 S ATOM 871 CE MET A 126 -2.652 -9.015 -6.658 1.00 0.00 C ATOM 0 H MET A 126 -2.449 -2.941 -6.953 1.00 0.00 H new ATOM 0 HA MET A 126 -1.619 -4.506 -4.576 1.00 0.00 H new ATOM 0 HB2 MET A 126 -3.016 -5.835 -6.086 1.00 0.00 H new ATOM 0 HB3 MET A 126 -2.050 -5.353 -7.466 1.00 0.00 H new ATOM 0 HG2 MET A 126 -0.056 -6.443 -6.204 1.00 0.00 H new ATOM 0 HG3 MET A 126 -1.277 -7.185 -5.189 1.00 0.00 H new ATOM 0 HE1 MET A 126 -2.853 -9.901 -7.260 1.00 0.00 H new ATOM 0 HE2 MET A 126 -2.350 -9.318 -5.655 1.00 0.00 H new ATOM 0 HE3 MET A 126 -3.554 -8.406 -6.597 1.00 0.00 H new ATOM 881 N VAL A 127 0.783 -4.155 -5.025 1.00 0.00 N ATOM 882 CA VAL A 127 2.199 -3.878 -5.232 1.00 0.00 C ATOM 883 C VAL A 127 2.746 -4.665 -6.418 1.00 0.00 C ATOM 884 O VAL A 127 2.638 -5.891 -6.466 1.00 0.00 O ATOM 885 CB VAL A 127 3.026 -4.220 -3.978 1.00 0.00 C ATOM 886 CG1 VAL A 127 4.486 -3.845 -4.182 1.00 0.00 C ATOM 887 CG2 VAL A 127 2.453 -3.520 -2.755 1.00 0.00 C ATOM 0 H VAL A 127 0.549 -4.476 -4.085 1.00 0.00 H new ATOM 0 HA VAL A 127 2.286 -2.811 -5.437 1.00 0.00 H new ATOM 0 HB VAL A 127 2.972 -5.296 -3.811 1.00 0.00 H new ATOM 0 HG11 VAL A 127 5.054 -4.094 -3.286 1.00 0.00 H new ATOM 0 HG12 VAL A 127 4.888 -4.397 -5.032 1.00 0.00 H new ATOM 0 HG13 VAL A 127 4.563 -2.775 -4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 127 3.049 -3.773 -1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 127 2.475 -2.441 -2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 127 1.424 -3.844 -2.599 1.00 0.00 H new ATOM 897 N VAL A 128 3.334 -3.953 -7.373 1.00 0.00 N ATOM 898 CA VAL A 128 3.899 -4.584 -8.560 1.00 0.00 C ATOM 899 C VAL A 128 5.381 -4.886 -8.368 1.00 0.00 C ATOM 900 O VAL A 128 5.896 -5.875 -8.889 1.00 0.00 O ATOM 901 CB VAL A 128 3.724 -3.696 -9.806 1.00 0.00 C ATOM 902 CG1 VAL A 128 4.513 -2.405 -9.656 1.00 0.00 C ATOM 903 CG2 VAL A 128 4.148 -4.448 -11.059 1.00 0.00 C ATOM 0 H VAL A 128 3.432 -2.938 -7.348 1.00 0.00 H new ATOM 0 HA VAL A 128 3.357 -5.518 -8.711 1.00 0.00 H new ATOM 0 HB VAL A 128 2.669 -3.439 -9.904 1.00 0.00 H new ATOM 0 HG11 VAL A 128 4.377 -1.790 -10.546 1.00 0.00 H new ATOM 0 HG12 VAL A 128 4.157 -1.861 -8.781 1.00 0.00 H new ATOM 0 HG13 VAL A 128 5.571 -2.637 -9.533 1.00 0.00 H new ATOM 0 HG21 VAL A 128 4.018 -3.806 -11.930 1.00 0.00 H new ATOM 0 HG22 VAL A 128 5.196 -4.736 -10.974 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.534 -5.342 -11.172 1.00 0.00 H new ATOM 913 N ASP A 129 6.062 -4.026 -7.618 1.00 0.00 N ATOM 914 CA ASP A 129 7.486 -4.201 -7.355 1.00 0.00 C ATOM 915 C ASP A 129 7.896 -3.475 -6.078 1.00 0.00 C ATOM 916 O ASP A 129 7.363 -2.413 -5.756 1.00 0.00 O ATOM 917 CB ASP A 129 8.310 -3.687 -8.536 1.00 0.00 C ATOM 918 CG ASP A 129 9.623 -4.430 -8.693 1.00 0.00 C ATOM 919 OD1 ASP A 129 9.616 -5.527 -9.289 1.00 0.00 O ATOM 920 OD2 ASP A 129 10.656 -3.914 -8.219 1.00 0.00 O ATOM 0 H ASP A 129 5.651 -3.201 -7.182 1.00 0.00 H new ATOM 0 HA ASP A 129 7.678 -5.266 -7.223 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.728 -3.786 -9.452 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.511 -2.624 -8.400 1.00 0.00 H new ATOM 925 N VAL A 130 8.845 -4.056 -5.352 1.00 0.00 N ATOM 926 CA VAL A 130 9.327 -3.465 -4.109 1.00 0.00 C ATOM 927 C VAL A 130 10.848 -3.355 -4.106 1.00 0.00 C ATOM 928 O VAL A 130 11.548 -4.281 -4.517 1.00 0.00 O ATOM 929 CB VAL A 130 8.880 -4.287 -2.886 1.00 0.00 C ATOM 930 CG1 VAL A 130 9.550 -3.771 -1.621 1.00 0.00 C ATOM 931 CG2 VAL A 130 7.366 -4.256 -2.748 1.00 0.00 C ATOM 0 H VAL A 130 9.296 -4.936 -5.603 1.00 0.00 H new ATOM 0 HA VAL A 130 8.893 -2.467 -4.044 1.00 0.00 H new ATOM 0 HB VAL A 130 9.187 -5.322 -3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 130 9.222 -4.364 -0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 130 10.632 -3.851 -1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 130 9.277 -2.728 -1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 130 7.068 -4.842 -1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 130 7.033 -3.226 -2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 130 6.910 -4.678 -3.644 1.00 0.00 H new ATOM 941 N ASP A 131 11.353 -2.218 -3.640 1.00 0.00 N ATOM 942 CA ASP A 131 12.791 -1.988 -3.581 1.00 0.00 C ATOM 943 C ASP A 131 13.244 -1.745 -2.145 1.00 0.00 C ATOM 944 O ASP A 131 14.440 -1.671 -1.865 1.00 0.00 O ATOM 945 CB ASP A 131 13.174 -0.795 -4.459 1.00 0.00 C ATOM 946 CG ASP A 131 14.665 -0.727 -4.725 1.00 0.00 C ATOM 947 OD1 ASP A 131 15.282 -1.795 -4.918 1.00 0.00 O ATOM 948 OD2 ASP A 131 15.215 0.394 -4.738 1.00 0.00 O ATOM 0 H ASP A 131 10.787 -1.441 -3.298 1.00 0.00 H new ATOM 0 HA ASP A 131 13.293 -2.881 -3.955 1.00 0.00 H new ATOM 0 HB2 ASP A 131 12.641 -0.860 -5.408 1.00 0.00 H new ATOM 0 HB3 ASP A 131 12.852 0.127 -3.975 1.00 0.00 H new ATOM 953 N GLY A 132 12.280 -1.619 -1.238 1.00 0.00 N ATOM 954 CA GLY A 132 12.600 -1.384 0.157 1.00 0.00 C ATOM 955 C GLY A 132 11.574 -0.508 0.848 1.00 0.00 C ATOM 956 O GLY A 132 10.503 -0.978 1.233 1.00 0.00 O ATOM 0 H GLY A 132 11.283 -1.676 -1.445 1.00 0.00 H new ATOM 0 HA2 GLY A 132 12.667 -2.340 0.677 1.00 0.00 H new ATOM 0 HA3 GLY A 132 13.581 -0.914 0.227 1.00 0.00 H new ATOM 960 N LEU A 133 11.901 0.770 1.007 1.00 0.00 N ATOM 961 CA LEU A 133 11.000 1.715 1.657 1.00 0.00 C ATOM 962 C LEU A 133 9.905 2.171 0.699 1.00 0.00 C ATOM 963 O LEU A 133 9.029 2.954 1.067 1.00 0.00 O ATOM 964 CB LEU A 133 11.783 2.926 2.169 1.00 0.00 C ATOM 965 CG LEU A 133 11.274 3.554 3.467 1.00 0.00 C ATOM 966 CD1 LEU A 133 9.799 3.902 3.350 1.00 0.00 C ATOM 967 CD2 LEU A 133 11.511 2.616 4.642 1.00 0.00 C ATOM 0 H LEU A 133 12.783 1.175 0.695 1.00 0.00 H new ATOM 0 HA LEU A 133 10.531 1.210 2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 133 12.821 2.627 2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 133 11.779 3.691 1.393 1.00 0.00 H new ATOM 0 HG LEU A 133 11.830 4.475 3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 133 9.455 4.348 4.283 1.00 0.00 H new ATOM 0 HD12 LEU A 133 9.656 4.611 2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 133 9.227 2.997 3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 133 11.143 3.079 5.557 1.00 0.00 H new ATOM 0 HD22 LEU A 133 10.982 1.678 4.471 1.00 0.00 H new ATOM 0 HD23 LEU A 133 12.578 2.418 4.740 1.00 0.00 H new ATOM 979 N LYS A 134 9.959 1.675 -0.532 1.00 0.00 N ATOM 980 CA LYS A 134 8.970 2.028 -1.544 1.00 0.00 C ATOM 981 C LYS A 134 8.430 0.780 -2.236 1.00 0.00 C ATOM 982 O LYS A 134 9.027 -0.295 -2.155 1.00 0.00 O ATOM 983 CB LYS A 134 9.584 2.972 -2.579 1.00 0.00 C ATOM 984 CG LYS A 134 10.498 2.275 -3.573 1.00 0.00 C ATOM 985 CD LYS A 134 9.723 1.753 -4.771 1.00 0.00 C ATOM 986 CE LYS A 134 10.655 1.342 -5.901 1.00 0.00 C ATOM 987 NZ LYS A 134 11.360 2.513 -6.493 1.00 0.00 N ATOM 0 H LYS A 134 10.678 1.027 -0.854 1.00 0.00 H new ATOM 0 HA LYS A 134 8.142 2.533 -1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 134 8.782 3.471 -3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 134 10.149 3.747 -2.061 1.00 0.00 H new ATOM 0 HG2 LYS A 134 11.267 2.970 -3.911 1.00 0.00 H new ATOM 0 HG3 LYS A 134 11.009 1.448 -3.081 1.00 0.00 H new ATOM 0 HD2 LYS A 134 9.116 0.899 -4.469 1.00 0.00 H new ATOM 0 HD3 LYS A 134 9.037 2.522 -5.125 1.00 0.00 H new ATOM 0 HE2 LYS A 134 11.388 0.629 -5.525 1.00 0.00 H new ATOM 0 HE3 LYS A 134 10.083 0.833 -6.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 10.984 2.700 -7.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 11.211 3.348 -5.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 12.378 2.309 -6.557 1.00 0.00 H new ATOM 1001 N LEU A 135 7.299 0.929 -2.916 1.00 0.00 N ATOM 1002 CA LEU A 135 6.680 -0.186 -3.625 1.00 0.00 C ATOM 1003 C LEU A 135 5.613 0.311 -4.595 1.00 0.00 C ATOM 1004 O LEU A 135 4.535 0.740 -4.183 1.00 0.00 O ATOM 1005 CB LEU A 135 6.062 -1.168 -2.628 1.00 0.00 C ATOM 1006 CG LEU A 135 5.651 -0.584 -1.276 1.00 0.00 C ATOM 1007 CD1 LEU A 135 4.277 0.062 -1.369 1.00 0.00 C ATOM 1008 CD2 LEU A 135 5.664 -1.662 -0.203 1.00 0.00 C ATOM 0 H LEU A 135 6.792 1.811 -2.992 1.00 0.00 H new ATOM 0 HA LEU A 135 7.455 -0.697 -4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 135 5.183 -1.617 -3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 135 6.776 -1.973 -2.452 1.00 0.00 H new ATOM 0 HG LEU A 135 6.373 0.184 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 135 4.001 0.472 -0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 135 4.301 0.863 -2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 135 3.543 -0.686 -1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 135 5.369 -1.228 0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.965 -2.453 -0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.668 -2.078 -0.118 1.00 0.00 H new ATOM 1020 N LYS A 136 5.919 0.247 -5.886 1.00 0.00 N ATOM 1021 CA LYS A 136 4.986 0.687 -6.917 1.00 0.00 C ATOM 1022 C LYS A 136 3.640 -0.016 -6.768 1.00 0.00 C ATOM 1023 O LYS A 136 3.581 -1.204 -6.451 1.00 0.00 O ATOM 1024 CB LYS A 136 5.564 0.415 -8.307 1.00 0.00 C ATOM 1025 CG LYS A 136 4.684 0.913 -9.440 1.00 0.00 C ATOM 1026 CD LYS A 136 5.456 1.008 -10.746 1.00 0.00 C ATOM 1027 CE LYS A 136 6.171 2.343 -10.875 1.00 0.00 C ATOM 1028 NZ LYS A 136 6.765 2.526 -12.228 1.00 0.00 N ATOM 0 H LYS A 136 6.807 -0.106 -6.244 1.00 0.00 H new ATOM 0 HA LYS A 136 4.832 1.759 -6.798 1.00 0.00 H new ATOM 0 HB2 LYS A 136 6.543 0.889 -8.383 1.00 0.00 H new ATOM 0 HB3 LYS A 136 5.719 -0.658 -8.423 1.00 0.00 H new ATOM 0 HG2 LYS A 136 3.836 0.240 -9.566 1.00 0.00 H new ATOM 0 HG3 LYS A 136 4.279 1.892 -9.184 1.00 0.00 H new ATOM 0 HD2 LYS A 136 6.183 0.198 -10.800 1.00 0.00 H new ATOM 0 HD3 LYS A 136 4.772 0.878 -11.585 1.00 0.00 H new ATOM 0 HE2 LYS A 136 5.469 3.152 -10.674 1.00 0.00 H new ATOM 0 HE3 LYS A 136 6.956 2.409 -10.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 7.243 3.448 -12.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 7.454 1.769 -12.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 6.013 2.489 -12.945 1.00 0.00 H new ATOM 1042 N VAL A 137 2.561 0.725 -7.001 1.00 0.00 N ATOM 1043 CA VAL A 137 1.216 0.172 -6.896 1.00 0.00 C ATOM 1044 C VAL A 137 0.467 0.294 -8.217 1.00 0.00 C ATOM 1045 O VAL A 137 0.584 1.298 -8.920 1.00 0.00 O ATOM 1046 CB VAL A 137 0.405 0.875 -5.791 1.00 0.00 C ATOM 1047 CG1 VAL A 137 1.024 0.615 -4.426 1.00 0.00 C ATOM 1048 CG2 VAL A 137 0.312 2.368 -6.068 1.00 0.00 C ATOM 0 H VAL A 137 2.592 1.710 -7.264 1.00 0.00 H new ATOM 0 HA VAL A 137 1.326 -0.882 -6.641 1.00 0.00 H new ATOM 0 HB VAL A 137 -0.605 0.465 -5.789 1.00 0.00 H new ATOM 0 HG11 VAL A 137 0.437 1.120 -3.658 1.00 0.00 H new ATOM 0 HG12 VAL A 137 1.034 -0.457 -4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 137 2.045 0.996 -4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.264 2.849 -5.278 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.314 2.796 -6.098 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -0.181 2.530 -7.027 1.00 0.00 H new ATOM 1058 N LYS A 138 -0.306 -0.735 -8.551 1.00 0.00 N ATOM 1059 CA LYS A 138 -1.077 -0.744 -9.788 1.00 0.00 C ATOM 1060 C LYS A 138 -2.573 -0.799 -9.495 1.00 0.00 C ATOM 1061 O LYS A 138 -3.044 -1.686 -8.784 1.00 0.00 O ATOM 1062 CB LYS A 138 -0.672 -1.937 -10.657 1.00 0.00 C ATOM 1063 CG LYS A 138 0.675 -1.765 -11.337 1.00 0.00 C ATOM 1064 CD LYS A 138 0.908 -2.834 -12.391 1.00 0.00 C ATOM 1065 CE LYS A 138 2.253 -2.655 -13.078 1.00 0.00 C ATOM 1066 NZ LYS A 138 2.178 -1.680 -14.200 1.00 0.00 N ATOM 0 H LYS A 138 -0.415 -1.574 -7.981 1.00 0.00 H new ATOM 0 HA LYS A 138 -0.864 0.179 -10.327 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -0.645 -2.834 -10.038 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -1.436 -2.097 -11.418 1.00 0.00 H new ATOM 0 HG2 LYS A 138 0.727 -0.779 -11.800 1.00 0.00 H new ATOM 0 HG3 LYS A 138 1.468 -1.809 -10.591 1.00 0.00 H new ATOM 0 HD2 LYS A 138 0.863 -3.819 -11.927 1.00 0.00 H new ATOM 0 HD3 LYS A 138 0.111 -2.794 -13.133 1.00 0.00 H new ATOM 0 HE2 LYS A 138 2.990 -2.315 -12.350 1.00 0.00 H new ATOM 0 HE3 LYS A 138 2.599 -3.617 -13.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 3.115 -1.586 -14.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 1.494 -2.017 -14.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 1.873 -0.755 -13.836 1.00 0.00 H new ATOM 1080 N ARG A 139 -3.315 0.154 -10.050 1.00 0.00 N ATOM 1081 CA ARG A 139 -4.758 0.214 -9.849 1.00 0.00 C ATOM 1082 C ARG A 139 -5.428 -1.070 -10.332 1.00 0.00 C ATOM 1083 O ARG A 139 -5.302 -1.446 -11.498 1.00 0.00 O ATOM 1084 CB ARG A 139 -5.348 1.418 -10.585 1.00 0.00 C ATOM 1085 CG ARG A 139 -6.868 1.437 -10.601 1.00 0.00 C ATOM 1086 CD ARG A 139 -7.427 2.192 -9.405 1.00 0.00 C ATOM 1087 NE ARG A 139 -7.519 3.627 -9.657 1.00 0.00 N ATOM 1088 CZ ARG A 139 -8.390 4.172 -10.499 1.00 0.00 C ATOM 1089 NH1 ARG A 139 -9.240 3.404 -11.167 1.00 0.00 N ATOM 1090 NH2 ARG A 139 -8.411 5.487 -10.675 1.00 0.00 N ATOM 0 H ARG A 139 -2.941 0.895 -10.642 1.00 0.00 H new ATOM 0 HA ARG A 139 -4.946 0.322 -8.781 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -4.987 2.333 -10.116 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -4.982 1.421 -11.612 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -7.218 1.902 -11.523 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -7.246 0.415 -10.597 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -8.415 1.803 -9.161 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -6.792 2.017 -8.537 1.00 0.00 H new ATOM 0 HE ARG A 139 -6.879 4.246 -9.159 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -9.226 2.393 -11.035 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -9.908 3.825 -11.813 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -7.758 6.080 -10.164 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -9.080 5.904 -11.322 1.00 0.00 H new ATOM 1104 N ILE A 140 -6.138 -1.736 -9.429 1.00 0.00 N ATOM 1105 CA ILE A 140 -6.827 -2.977 -9.763 1.00 0.00 C ATOM 1106 C ILE A 140 -8.312 -2.888 -9.426 1.00 0.00 C ATOM 1107 O ILE A 140 -8.709 -2.340 -8.398 1.00 0.00 O ATOM 1108 CB ILE A 140 -6.214 -4.179 -9.022 1.00 0.00 C ATOM 1109 CG1 ILE A 140 -6.283 -3.962 -7.509 1.00 0.00 C ATOM 1110 CG2 ILE A 140 -4.776 -4.398 -9.466 1.00 0.00 C ATOM 1111 CD1 ILE A 140 -6.063 -5.225 -6.706 1.00 0.00 C ATOM 0 H ILE A 140 -6.252 -1.438 -8.460 1.00 0.00 H new ATOM 0 HA ILE A 140 -6.708 -3.125 -10.836 1.00 0.00 H new ATOM 0 HB ILE A 140 -6.789 -5.071 -9.269 1.00 0.00 H new ATOM 0 HG12 ILE A 140 -5.534 -3.224 -7.222 1.00 0.00 H new ATOM 0 HG13 ILE A 140 -7.257 -3.544 -7.254 1.00 0.00 H new ATOM 0 HG21 ILE A 140 -4.357 -5.251 -8.933 1.00 0.00 H new ATOM 0 HG22 ILE A 140 -4.752 -4.592 -10.538 1.00 0.00 H new ATOM 0 HG23 ILE A 140 -4.187 -3.507 -9.245 1.00 0.00 H new ATOM 0 HD11 ILE A 140 -6.126 -4.995 -5.642 1.00 0.00 H new ATOM 0 HD12 ILE A 140 -6.827 -5.958 -6.965 1.00 0.00 H new ATOM 0 HD13 ILE A 140 -5.078 -5.633 -6.932 1.00 0.00 H new