USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=11 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 115 SER OG : rot -91:sc= 0.663 USER MOD Set 1.2: A 136 LYS NZ :NH3+ 171:sc= -0.699 (180deg=-0.757) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 88 LYS NZ :NH3+ 172:sc= 0.385 (180deg=0.319) USER MOD Single : A 90 LYS NZ :NH3+ 137:sc= -0.668 (180deg=-2.49!) USER MOD Single : A 93 LYS NZ :NH3+ 175:sc= -1.1 (180deg=-1.29) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.978 K(o=-0.98,f=-0.14) USER MOD Single : A 102 TYR OH : rot 97:sc= 1.22 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -160:sc= -0.0843 (180deg=-0.438) USER MOD Single : A 120 SER OG : rot 180:sc= -0.0213 USER MOD Single : A 126 MET CE :methyl 167:sc= 0 (180deg=-0.0639) USER MOD Single : A 134 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 8.613 -5.989 6.668 1.00 0.00 N ATOM 188 CA THR A 84 8.540 -7.435 6.498 1.00 0.00 C ATOM 189 C THR A 84 9.042 -7.852 5.121 1.00 0.00 C ATOM 190 O THR A 84 9.418 -9.005 4.909 1.00 0.00 O ATOM 191 CB THR A 84 7.101 -7.950 6.686 1.00 0.00 C ATOM 192 OG1 THR A 84 7.077 -9.379 6.596 1.00 0.00 O ATOM 193 CG2 THR A 84 6.172 -7.356 5.638 1.00 0.00 C ATOM 0 HA THR A 84 9.179 -7.877 7.263 1.00 0.00 H new ATOM 0 HB THR A 84 6.754 -7.642 7.672 1.00 0.00 H new ATOM 0 HG1 THR A 84 6.159 -9.699 6.718 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.161 -7.734 5.791 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.170 -6.270 5.727 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.518 -7.638 4.643 1.00 0.00 H new ATOM 201 N PHE A 85 9.046 -6.908 4.186 1.00 0.00 N ATOM 202 CA PHE A 85 9.502 -7.178 2.828 1.00 0.00 C ATOM 203 C PHE A 85 8.670 -8.284 2.185 1.00 0.00 C ATOM 204 O PHE A 85 9.208 -9.182 1.538 1.00 0.00 O ATOM 205 CB PHE A 85 10.980 -7.574 2.832 1.00 0.00 C ATOM 206 CG PHE A 85 11.506 -7.944 1.475 1.00 0.00 C ATOM 207 CD1 PHE A 85 10.860 -7.515 0.327 1.00 0.00 C ATOM 208 CD2 PHE A 85 12.645 -8.722 1.348 1.00 0.00 C ATOM 209 CE1 PHE A 85 11.342 -7.855 -0.924 1.00 0.00 C ATOM 210 CE2 PHE A 85 13.132 -9.064 0.100 1.00 0.00 C ATOM 211 CZ PHE A 85 12.478 -8.631 -1.037 1.00 0.00 C ATOM 0 H PHE A 85 8.738 -5.948 4.344 1.00 0.00 H new ATOM 0 HA PHE A 85 9.379 -6.267 2.243 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.568 -6.746 3.227 1.00 0.00 H new ATOM 0 HB3 PHE A 85 11.120 -8.417 3.509 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.970 -6.908 0.410 1.00 0.00 H new ATOM 0 HD2 PHE A 85 13.158 -9.065 2.234 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.830 -7.514 -1.812 1.00 0.00 H new ATOM 0 HE2 PHE A 85 14.023 -9.669 0.014 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.855 -8.899 -2.013 1.00 0.00 H new ATOM 221 N GLU A 86 7.356 -8.211 2.369 1.00 0.00 N ATOM 222 CA GLU A 86 6.450 -9.207 1.808 1.00 0.00 C ATOM 223 C GLU A 86 5.372 -8.543 0.956 1.00 0.00 C ATOM 224 O GLU A 86 4.829 -9.155 0.035 1.00 0.00 O ATOM 225 CB GLU A 86 5.799 -10.024 2.927 1.00 0.00 C ATOM 226 CG GLU A 86 6.763 -10.960 3.636 1.00 0.00 C ATOM 227 CD GLU A 86 6.064 -12.150 4.265 1.00 0.00 C ATOM 228 OE1 GLU A 86 5.140 -11.933 5.077 1.00 0.00 O ATOM 229 OE2 GLU A 86 6.440 -13.297 3.947 1.00 0.00 O ATOM 0 H GLU A 86 6.895 -7.473 2.902 1.00 0.00 H new ATOM 0 HA GLU A 86 7.033 -9.874 1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 86 5.364 -9.342 3.658 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.979 -10.608 2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.508 -11.315 2.924 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.298 -10.408 4.408 1.00 0.00 H new ATOM 236 N LEU A 87 5.067 -7.289 1.269 1.00 0.00 N ATOM 237 CA LEU A 87 4.054 -6.541 0.533 1.00 0.00 C ATOM 238 C LEU A 87 4.030 -6.957 -0.935 1.00 0.00 C ATOM 239 O LEU A 87 2.971 -6.998 -1.562 1.00 0.00 O ATOM 240 CB LEU A 87 4.320 -5.038 0.644 1.00 0.00 C ATOM 241 CG LEU A 87 4.942 -4.562 1.958 1.00 0.00 C ATOM 242 CD1 LEU A 87 4.310 -5.282 3.139 1.00 0.00 C ATOM 243 CD2 LEU A 87 6.449 -4.778 1.943 1.00 0.00 C ATOM 0 H LEU A 87 5.507 -6.768 2.028 1.00 0.00 H new ATOM 0 HA LEU A 87 3.082 -6.765 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.978 -4.744 -0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.377 -4.511 0.499 1.00 0.00 H new ATOM 0 HG LEU A 87 4.749 -3.495 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.765 -4.931 4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.240 -5.077 3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.472 -6.355 3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.875 -4.434 2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.663 -5.839 1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.889 -4.216 1.119 1.00 0.00 H new ATOM 255 N LYS A 88 5.203 -7.266 -1.476 1.00 0.00 N ATOM 256 CA LYS A 88 5.317 -7.682 -2.869 1.00 0.00 C ATOM 257 C LYS A 88 4.186 -8.633 -3.247 1.00 0.00 C ATOM 258 O LYS A 88 4.145 -9.776 -2.793 1.00 0.00 O ATOM 259 CB LYS A 88 6.668 -8.358 -3.111 1.00 0.00 C ATOM 260 CG LYS A 88 7.032 -8.481 -4.581 1.00 0.00 C ATOM 261 CD LYS A 88 7.726 -7.229 -5.090 1.00 0.00 C ATOM 262 CE LYS A 88 8.728 -7.553 -6.187 1.00 0.00 C ATOM 263 NZ LYS A 88 8.058 -8.046 -7.422 1.00 0.00 N ATOM 0 H LYS A 88 6.089 -7.236 -0.971 1.00 0.00 H new ATOM 0 HA LYS A 88 5.245 -6.793 -3.495 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.445 -7.791 -2.599 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.652 -9.352 -2.665 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.683 -9.343 -4.725 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.130 -8.662 -5.166 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.982 -6.529 -5.471 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.237 -6.734 -4.264 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.311 -6.662 -6.421 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.428 -8.307 -5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.757 -8.127 -8.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.636 -8.979 -7.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.313 -7.377 -7.703 1.00 0.00 H new ATOM 277 N GLY A 89 3.270 -8.153 -4.083 1.00 0.00 N ATOM 278 CA GLY A 89 2.151 -8.974 -4.509 1.00 0.00 C ATOM 279 C GLY A 89 0.875 -8.649 -3.759 1.00 0.00 C ATOM 280 O GLY A 89 -0.214 -8.670 -4.333 1.00 0.00 O ATOM 0 H GLY A 89 3.283 -7.211 -4.473 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.987 -8.833 -5.577 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.398 -10.025 -4.361 1.00 0.00 H new ATOM 284 N LYS A 90 1.007 -8.348 -2.472 1.00 0.00 N ATOM 285 CA LYS A 90 -0.145 -8.018 -1.641 1.00 0.00 C ATOM 286 C LYS A 90 -0.838 -6.757 -2.148 1.00 0.00 C ATOM 287 O LYS A 90 -0.217 -5.912 -2.792 1.00 0.00 O ATOM 288 CB LYS A 90 0.289 -7.824 -0.186 1.00 0.00 C ATOM 289 CG LYS A 90 0.236 -9.098 0.639 1.00 0.00 C ATOM 290 CD LYS A 90 0.961 -8.934 1.965 1.00 0.00 C ATOM 291 CE LYS A 90 2.427 -9.322 1.850 1.00 0.00 C ATOM 292 NZ LYS A 90 2.614 -10.799 1.891 1.00 0.00 N ATOM 0 H LYS A 90 1.901 -8.326 -1.981 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.851 -8.847 -1.696 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.306 -7.431 -0.168 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.351 -7.073 0.278 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.803 -9.371 0.823 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.685 -9.916 0.076 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.882 -7.899 2.298 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.479 -9.551 2.723 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.835 -8.930 0.918 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.989 -8.862 2.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.307 -11.081 1.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.960 -11.079 2.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.706 -11.269 1.702 1.00 0.00 H new ATOM 306 N VAL A 91 -2.129 -6.637 -1.853 1.00 0.00 N ATOM 307 CA VAL A 91 -2.905 -5.479 -2.277 1.00 0.00 C ATOM 308 C VAL A 91 -3.068 -4.479 -1.137 1.00 0.00 C ATOM 309 O VAL A 91 -3.356 -4.857 -0.002 1.00 0.00 O ATOM 310 CB VAL A 91 -4.299 -5.892 -2.785 1.00 0.00 C ATOM 311 CG1 VAL A 91 -5.115 -4.666 -3.165 1.00 0.00 C ATOM 312 CG2 VAL A 91 -4.175 -6.846 -3.963 1.00 0.00 C ATOM 0 H VAL A 91 -2.659 -7.328 -1.322 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.354 -5.010 -3.092 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.821 -6.410 -1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.097 -4.978 -3.522 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.233 -4.023 -2.293 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.601 -4.117 -3.953 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.169 -7.128 -4.309 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.634 -6.356 -4.773 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.633 -7.739 -3.652 1.00 0.00 H new ATOM 322 N GLY A 92 -2.881 -3.200 -1.447 1.00 0.00 N ATOM 323 CA GLY A 92 -3.012 -2.165 -0.439 1.00 0.00 C ATOM 324 C GLY A 92 -4.154 -1.212 -0.730 1.00 0.00 C ATOM 325 O GLY A 92 -4.620 -1.118 -1.866 1.00 0.00 O ATOM 0 H GLY A 92 -2.641 -2.862 -2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.169 -2.629 0.535 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.080 -1.602 -0.377 1.00 0.00 H new ATOM 329 N LYS A 93 -4.609 -0.504 0.298 1.00 0.00 N ATOM 330 CA LYS A 93 -5.704 0.447 0.148 1.00 0.00 C ATOM 331 C LYS A 93 -5.173 1.866 -0.027 1.00 0.00 C ATOM 332 O LYS A 93 -4.284 2.302 0.704 1.00 0.00 O ATOM 333 CB LYS A 93 -6.630 0.384 1.365 1.00 0.00 C ATOM 334 CG LYS A 93 -7.975 1.055 1.141 1.00 0.00 C ATOM 335 CD LYS A 93 -7.941 2.520 1.540 1.00 0.00 C ATOM 336 CE LYS A 93 -8.326 2.709 3.000 1.00 0.00 C ATOM 337 NZ LYS A 93 -7.501 1.863 3.905 1.00 0.00 N ATOM 0 H LYS A 93 -4.236 -0.571 1.245 1.00 0.00 H new ATOM 0 HA LYS A 93 -6.267 0.177 -0.745 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -6.794 -0.660 1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.134 0.856 2.213 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -8.255 0.969 0.091 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -8.741 0.538 1.718 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.942 2.921 1.371 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -8.623 3.087 0.906 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.207 3.757 3.274 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.379 2.462 3.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.735 2.082 4.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.698 0.859 3.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.493 2.055 3.737 1.00 0.00 H new ATOM 351 N VAL A 94 -5.725 2.583 -1.001 1.00 0.00 N ATOM 352 CA VAL A 94 -5.309 3.954 -1.271 1.00 0.00 C ATOM 353 C VAL A 94 -5.802 4.902 -0.184 1.00 0.00 C ATOM 354 O VAL A 94 -6.939 5.373 -0.224 1.00 0.00 O ATOM 355 CB VAL A 94 -5.830 4.440 -2.636 1.00 0.00 C ATOM 356 CG1 VAL A 94 -5.450 5.895 -2.865 1.00 0.00 C ATOM 357 CG2 VAL A 94 -5.295 3.559 -3.755 1.00 0.00 C ATOM 0 H VAL A 94 -6.461 2.237 -1.616 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.219 3.957 -1.285 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.918 4.368 -2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.827 6.221 -3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.886 6.513 -2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.365 5.995 -2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.673 3.917 -4.712 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.206 3.596 -3.758 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.622 2.531 -3.597 1.00 0.00 H new ATOM 367 N VAL A 95 -4.939 5.180 0.788 1.00 0.00 N ATOM 368 CA VAL A 95 -5.286 6.074 1.887 1.00 0.00 C ATOM 369 C VAL A 95 -5.203 7.534 1.454 1.00 0.00 C ATOM 370 O VAL A 95 -6.070 8.342 1.788 1.00 0.00 O ATOM 371 CB VAL A 95 -4.363 5.856 3.100 1.00 0.00 C ATOM 372 CG1 VAL A 95 -4.610 4.489 3.720 1.00 0.00 C ATOM 373 CG2 VAL A 95 -2.905 6.012 2.696 1.00 0.00 C ATOM 0 H VAL A 95 -3.994 4.799 0.837 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.311 5.841 2.174 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.591 6.615 3.849 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.949 4.353 4.576 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.647 4.420 4.048 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.411 3.713 2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.268 5.855 3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.660 5.278 1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.742 7.016 2.303 1.00 0.00 H new ATOM 383 N LYS A 96 -4.154 7.865 0.709 1.00 0.00 N ATOM 384 CA LYS A 96 -3.956 9.228 0.229 1.00 0.00 C ATOM 385 C LYS A 96 -3.080 9.243 -1.020 1.00 0.00 C ATOM 386 O LYS A 96 -2.496 8.224 -1.391 1.00 0.00 O ATOM 387 CB LYS A 96 -3.319 10.089 1.322 1.00 0.00 C ATOM 388 CG LYS A 96 -3.629 11.570 1.188 1.00 0.00 C ATOM 389 CD LYS A 96 -3.417 12.305 2.500 1.00 0.00 C ATOM 390 CE LYS A 96 -3.073 13.769 2.269 1.00 0.00 C ATOM 391 NZ LYS A 96 -4.244 14.541 1.770 1.00 0.00 N ATOM 0 H LYS A 96 -3.427 7.208 0.424 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.932 9.641 -0.027 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.665 9.741 2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.238 9.949 1.299 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.993 12.007 0.418 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.661 11.698 0.861 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -4.319 12.234 3.108 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.615 11.826 3.061 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -2.717 14.210 3.200 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -2.257 13.841 1.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -3.969 15.534 1.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -4.568 14.136 0.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.014 14.493 2.467 1.00 0.00 H new ATOM 405 N ILE A 97 -2.993 10.403 -1.662 1.00 0.00 N ATOM 406 CA ILE A 97 -2.186 10.549 -2.867 1.00 0.00 C ATOM 407 C ILE A 97 -1.485 11.903 -2.897 1.00 0.00 C ATOM 408 O ILE A 97 -2.087 12.933 -2.596 1.00 0.00 O ATOM 409 CB ILE A 97 -3.041 10.398 -4.139 1.00 0.00 C ATOM 410 CG1 ILE A 97 -3.703 9.019 -4.174 1.00 0.00 C ATOM 411 CG2 ILE A 97 -2.188 10.614 -5.380 1.00 0.00 C ATOM 412 CD1 ILE A 97 -5.032 9.004 -4.896 1.00 0.00 C ATOM 0 H ILE A 97 -3.471 11.255 -1.368 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.439 9.755 -2.845 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.824 11.156 -4.124 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.028 8.313 -4.658 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -3.850 8.670 -3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -2.807 10.504 -6.271 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.760 11.616 -5.357 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.385 9.877 -5.403 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.443 7.994 -4.881 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.724 9.684 -4.399 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.889 9.322 -5.929 1.00 0.00 H new ATOM 424 N ALA A 98 -0.208 11.893 -3.265 1.00 0.00 N ATOM 425 CA ALA A 98 0.575 13.121 -3.339 1.00 0.00 C ATOM 426 C ALA A 98 1.474 13.125 -4.571 1.00 0.00 C ATOM 427 O ALA A 98 1.965 12.080 -4.995 1.00 0.00 O ATOM 428 CB ALA A 98 1.407 13.293 -2.077 1.00 0.00 C ATOM 0 H ALA A 98 0.306 11.049 -3.516 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.117 13.959 -3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.986 14.214 -2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.748 13.343 -1.211 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.084 12.445 -1.969 1.00 0.00 H new ATOM 434 N GLU A 99 1.683 14.308 -5.141 1.00 0.00 N ATOM 435 CA GLU A 99 2.522 14.446 -6.326 1.00 0.00 C ATOM 436 C GLU A 99 3.925 13.906 -6.066 1.00 0.00 C ATOM 437 O GLU A 99 4.466 13.142 -6.866 1.00 0.00 O ATOM 438 CB GLU A 99 2.600 15.913 -6.754 1.00 0.00 C ATOM 439 CG GLU A 99 2.815 16.101 -8.247 1.00 0.00 C ATOM 440 CD GLU A 99 2.833 17.561 -8.654 1.00 0.00 C ATOM 441 OE1 GLU A 99 3.920 18.175 -8.613 1.00 0.00 O ATOM 442 OE2 GLU A 99 1.761 18.091 -9.014 1.00 0.00 O ATOM 0 H GLU A 99 1.284 15.183 -4.802 1.00 0.00 H new ATOM 0 HA GLU A 99 2.071 13.863 -7.129 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.679 16.417 -6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.414 16.397 -6.214 1.00 0.00 H new ATOM 0 HG2 GLU A 99 3.757 15.635 -8.536 1.00 0.00 H new ATOM 0 HG3 GLU A 99 2.024 15.585 -8.792 1.00 0.00 H new ATOM 449 N ASP A 100 4.508 14.308 -4.942 1.00 0.00 N ATOM 450 CA ASP A 100 5.848 13.864 -4.575 1.00 0.00 C ATOM 451 C ASP A 100 5.867 12.363 -4.303 1.00 0.00 C ATOM 452 O ASP A 100 6.863 11.687 -4.563 1.00 0.00 O ATOM 453 CB ASP A 100 6.340 14.625 -3.343 1.00 0.00 C ATOM 454 CG ASP A 100 7.853 14.684 -3.266 1.00 0.00 C ATOM 455 OD1 ASP A 100 8.481 13.619 -3.091 1.00 0.00 O ATOM 456 OD2 ASP A 100 8.410 15.797 -3.381 1.00 0.00 O ATOM 0 H ASP A 100 4.074 14.940 -4.269 1.00 0.00 H new ATOM 0 HA ASP A 100 6.516 14.072 -5.411 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.940 15.639 -3.362 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.952 14.146 -2.444 1.00 0.00 H new ATOM 461 N HIS A 101 4.761 11.848 -3.776 1.00 0.00 N ATOM 462 CA HIS A 101 4.651 10.426 -3.468 1.00 0.00 C ATOM 463 C HIS A 101 3.215 10.058 -3.109 1.00 0.00 C ATOM 464 O HIS A 101 2.395 10.928 -2.816 1.00 0.00 O ATOM 465 CB HIS A 101 5.588 10.058 -2.317 1.00 0.00 C ATOM 466 CG HIS A 101 5.045 10.412 -0.967 1.00 0.00 C ATOM 467 ND1 HIS A 101 5.465 11.513 -0.251 1.00 0.00 N ATOM 468 CD2 HIS A 101 4.109 9.803 -0.202 1.00 0.00 C ATOM 469 CE1 HIS A 101 4.812 11.565 0.896 1.00 0.00 C ATOM 470 NE2 HIS A 101 3.982 10.539 0.950 1.00 0.00 N ATOM 0 H HIS A 101 3.928 12.393 -3.553 1.00 0.00 H new ATOM 0 HA HIS A 101 4.940 9.863 -4.356 1.00 0.00 H new ATOM 0 HB2 HIS A 101 5.788 8.987 -2.350 1.00 0.00 H new ATOM 0 HB3 HIS A 101 6.542 10.565 -2.460 1.00 0.00 H new ATOM 0 HD2 HIS A 101 3.563 8.905 -0.451 1.00 0.00 H new ATOM 0 HE1 HIS A 101 4.936 12.318 1.660 1.00 0.00 H new ATOM 0 HE2 HIS A 101 3.350 10.328 1.722 1.00 0.00 H new ATOM 479 N TYR A 102 2.918 8.763 -3.133 1.00 0.00 N ATOM 480 CA TYR A 102 1.580 8.280 -2.813 1.00 0.00 C ATOM 481 C TYR A 102 1.576 7.525 -1.487 1.00 0.00 C ATOM 482 O TYR A 102 2.588 6.949 -1.084 1.00 0.00 O ATOM 483 CB TYR A 102 1.061 7.374 -3.931 1.00 0.00 C ATOM 484 CG TYR A 102 1.024 8.044 -5.286 1.00 0.00 C ATOM 485 CD1 TYR A 102 2.183 8.535 -5.872 1.00 0.00 C ATOM 486 CD2 TYR A 102 -0.172 8.184 -5.980 1.00 0.00 C ATOM 487 CE1 TYR A 102 2.154 9.149 -7.109 1.00 0.00 C ATOM 488 CE2 TYR A 102 -0.211 8.795 -7.218 1.00 0.00 C ATOM 489 CZ TYR A 102 0.954 9.277 -7.778 1.00 0.00 C ATOM 490 OH TYR A 102 0.921 9.886 -9.012 1.00 0.00 O ATOM 0 H TYR A 102 3.586 8.029 -3.371 1.00 0.00 H new ATOM 0 HA TYR A 102 0.922 9.144 -2.720 1.00 0.00 H new ATOM 0 HB2 TYR A 102 1.692 6.487 -3.991 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.057 7.034 -3.675 1.00 0.00 H new ATOM 0 HD1 TYR A 102 3.124 8.435 -5.351 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.086 7.809 -5.544 1.00 0.00 H new ATOM 0 HE1 TYR A 102 3.065 9.527 -7.550 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.148 8.895 -7.745 1.00 0.00 H new ATOM 0 HH TYR A 102 0.939 9.203 -9.714 1.00 0.00 H new ATOM 500 N LEU A 103 0.431 7.531 -0.814 1.00 0.00 N ATOM 501 CA LEU A 103 0.293 6.846 0.466 1.00 0.00 C ATOM 502 C LEU A 103 -0.568 5.595 0.325 1.00 0.00 C ATOM 503 O LEU A 103 -1.758 5.678 0.018 1.00 0.00 O ATOM 504 CB LEU A 103 -0.320 7.785 1.506 1.00 0.00 C ATOM 505 CG LEU A 103 0.632 8.803 2.136 1.00 0.00 C ATOM 506 CD1 LEU A 103 -0.110 9.686 3.127 1.00 0.00 C ATOM 507 CD2 LEU A 103 1.795 8.095 2.816 1.00 0.00 C ATOM 0 H LEU A 103 -0.415 8.003 -1.133 1.00 0.00 H new ATOM 0 HA LEU A 103 1.287 6.545 0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.141 8.327 1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.752 7.180 2.303 1.00 0.00 H new ATOM 0 HG LEU A 103 1.031 9.437 1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 103 0.584 10.404 3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.908 10.220 2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.538 9.067 3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.462 8.834 3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.414 7.437 3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.343 7.506 2.080 1.00 0.00 H new ATOM 519 N VAL A 104 0.040 4.435 0.552 1.00 0.00 N ATOM 520 CA VAL A 104 -0.671 3.166 0.453 1.00 0.00 C ATOM 521 C VAL A 104 -0.599 2.392 1.764 1.00 0.00 C ATOM 522 O VAL A 104 0.457 2.310 2.390 1.00 0.00 O ATOM 523 CB VAL A 104 -0.102 2.290 -0.680 1.00 0.00 C ATOM 524 CG1 VAL A 104 -1.189 1.402 -1.265 1.00 0.00 C ATOM 525 CG2 VAL A 104 0.527 3.159 -1.759 1.00 0.00 C ATOM 0 H VAL A 104 1.024 4.348 0.806 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.712 3.403 0.231 1.00 0.00 H new ATOM 0 HB VAL A 104 0.674 1.647 -0.265 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.769 0.791 -2.064 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.589 0.755 -0.485 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -1.989 2.023 -1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.924 2.525 -2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.227 3.828 -2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.336 3.748 -1.326 1.00 0.00 H new ATOM 535 N GLU A 105 -1.729 1.825 2.173 1.00 0.00 N ATOM 536 CA GLU A 105 -1.794 1.057 3.411 1.00 0.00 C ATOM 537 C GLU A 105 -1.753 -0.442 3.124 1.00 0.00 C ATOM 538 O GLU A 105 -2.749 -1.032 2.704 1.00 0.00 O ATOM 539 CB GLU A 105 -3.065 1.404 4.187 1.00 0.00 C ATOM 540 CG GLU A 105 -3.246 0.588 5.456 1.00 0.00 C ATOM 541 CD GLU A 105 -4.694 0.514 5.901 1.00 0.00 C ATOM 542 OE1 GLU A 105 -5.450 -0.298 5.327 1.00 0.00 O ATOM 543 OE2 GLU A 105 -5.072 1.268 6.822 1.00 0.00 O ATOM 0 H GLU A 105 -2.612 1.883 1.666 1.00 0.00 H new ATOM 0 HA GLU A 105 -0.926 1.318 4.016 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -3.045 2.463 4.446 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -3.929 1.250 3.540 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.868 -0.421 5.291 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.647 1.026 6.254 1.00 0.00 H new ATOM 550 N VAL A 106 -0.594 -1.051 3.354 1.00 0.00 N ATOM 551 CA VAL A 106 -0.423 -2.480 3.122 1.00 0.00 C ATOM 552 C VAL A 106 -0.305 -3.241 4.438 1.00 0.00 C ATOM 553 O VAL A 106 0.483 -2.874 5.309 1.00 0.00 O ATOM 554 CB VAL A 106 0.825 -2.764 2.264 1.00 0.00 C ATOM 555 CG1 VAL A 106 0.937 -4.249 1.959 1.00 0.00 C ATOM 556 CG2 VAL A 106 0.785 -1.948 0.981 1.00 0.00 C ATOM 0 H VAL A 106 0.240 -0.577 3.701 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.309 -2.822 2.587 1.00 0.00 H new ATOM 0 HB VAL A 106 1.709 -2.467 2.829 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.824 -4.430 1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.015 -4.807 2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.052 -4.576 1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.674 -2.161 0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.105 -2.212 0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.758 -0.886 1.226 1.00 0.00 H new ATOM 566 N GLU A 107 -1.094 -4.302 4.574 1.00 0.00 N ATOM 567 CA GLU A 107 -1.077 -5.115 5.785 1.00 0.00 C ATOM 568 C GLU A 107 -1.189 -4.239 7.029 1.00 0.00 C ATOM 569 O GLU A 107 -0.643 -4.565 8.082 1.00 0.00 O ATOM 570 CB GLU A 107 0.203 -5.949 5.848 1.00 0.00 C ATOM 571 CG GLU A 107 0.115 -7.259 5.083 1.00 0.00 C ATOM 572 CD GLU A 107 -1.038 -8.129 5.545 1.00 0.00 C ATOM 573 OE1 GLU A 107 -0.868 -8.857 6.545 1.00 0.00 O ATOM 574 OE2 GLU A 107 -2.110 -8.080 4.906 1.00 0.00 O ATOM 0 H GLU A 107 -1.752 -4.619 3.862 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.936 -5.785 5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.030 -5.361 5.450 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.437 -6.162 6.891 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.002 -7.047 4.020 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.049 -7.808 5.201 1.00 0.00 H new ATOM 581 N GLY A 108 -1.900 -3.123 6.899 1.00 0.00 N ATOM 582 CA GLY A 108 -2.071 -2.216 8.019 1.00 0.00 C ATOM 583 C GLY A 108 -0.840 -1.368 8.270 1.00 0.00 C ATOM 584 O GLY A 108 -0.524 -1.044 9.415 1.00 0.00 O ATOM 0 H GLY A 108 -2.361 -2.831 6.037 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -2.924 -1.565 7.829 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.302 -2.790 8.916 1.00 0.00 H new ATOM 588 N ASP A 109 -0.142 -1.008 7.199 1.00 0.00 N ATOM 589 CA ASP A 109 1.061 -0.192 7.308 1.00 0.00 C ATOM 590 C ASP A 109 1.140 0.816 6.166 1.00 0.00 C ATOM 591 O ASP A 109 0.878 0.482 5.010 1.00 0.00 O ATOM 592 CB ASP A 109 2.307 -1.080 7.309 1.00 0.00 C ATOM 593 CG ASP A 109 3.444 -0.482 8.112 1.00 0.00 C ATOM 594 OD1 ASP A 109 3.398 -0.565 9.358 1.00 0.00 O ATOM 595 OD2 ASP A 109 4.380 0.070 7.497 1.00 0.00 O ATOM 0 H ASP A 109 -0.389 -1.269 6.244 1.00 0.00 H new ATOM 0 HA ASP A 109 1.014 0.356 8.249 1.00 0.00 H new ATOM 0 HB2 ASP A 109 2.052 -2.058 7.718 1.00 0.00 H new ATOM 0 HB3 ASP A 109 2.636 -1.240 6.282 1.00 0.00 H new ATOM 600 N LYS A 110 1.503 2.050 6.497 1.00 0.00 N ATOM 601 CA LYS A 110 1.617 3.108 5.500 1.00 0.00 C ATOM 602 C LYS A 110 2.961 3.036 4.781 1.00 0.00 C ATOM 603 O LYS A 110 4.016 3.080 5.413 1.00 0.00 O ATOM 604 CB LYS A 110 1.453 4.479 6.160 1.00 0.00 C ATOM 605 CG LYS A 110 0.178 4.614 6.973 1.00 0.00 C ATOM 606 CD LYS A 110 -0.278 6.061 7.061 1.00 0.00 C ATOM 607 CE LYS A 110 -0.984 6.500 5.788 1.00 0.00 C ATOM 608 NZ LYS A 110 -1.750 7.762 5.986 1.00 0.00 N ATOM 0 H LYS A 110 1.724 2.343 7.449 1.00 0.00 H new ATOM 0 HA LYS A 110 0.824 2.968 4.766 1.00 0.00 H new ATOM 0 HB2 LYS A 110 2.309 4.665 6.809 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.465 5.248 5.388 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.609 4.011 6.520 1.00 0.00 H new ATOM 0 HG3 LYS A 110 0.342 4.222 7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.950 6.181 7.911 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.583 6.705 7.242 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.249 6.642 4.995 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.661 5.712 5.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.217 8.028 5.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.468 7.620 6.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -1.100 8.520 6.276 1.00 0.00 H new ATOM 622 N TRP A 111 2.913 2.926 3.458 1.00 0.00 N ATOM 623 CA TRP A 111 4.128 2.849 2.654 1.00 0.00 C ATOM 624 C TRP A 111 4.221 4.031 1.695 1.00 0.00 C ATOM 625 O TRP A 111 3.295 4.837 1.597 1.00 0.00 O ATOM 626 CB TRP A 111 4.162 1.536 1.870 1.00 0.00 C ATOM 627 CG TRP A 111 4.270 0.324 2.745 1.00 0.00 C ATOM 628 CD1 TRP A 111 3.240 -0.408 3.262 1.00 0.00 C ATOM 629 CD2 TRP A 111 5.476 -0.295 3.206 1.00 0.00 C ATOM 630 NE1 TRP A 111 3.733 -1.445 4.017 1.00 0.00 N ATOM 631 CE2 TRP A 111 5.102 -1.398 3.998 1.00 0.00 C ATOM 632 CE3 TRP A 111 6.836 -0.026 3.025 1.00 0.00 C ATOM 633 CZ2 TRP A 111 6.038 -2.228 4.608 1.00 0.00 C ATOM 634 CZ3 TRP A 111 7.764 -0.851 3.631 1.00 0.00 C ATOM 635 CH2 TRP A 111 7.362 -1.942 4.414 1.00 0.00 C ATOM 0 H TRP A 111 2.047 2.888 2.920 1.00 0.00 H new ATOM 0 HA TRP A 111 4.984 2.884 3.328 1.00 0.00 H new ATOM 0 HB2 TRP A 111 3.259 1.459 1.265 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.007 1.554 1.181 1.00 0.00 H new ATOM 0 HD1 TRP A 111 2.192 -0.202 3.101 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.171 -2.138 4.511 1.00 0.00 H new ATOM 0 HE3 TRP A 111 7.155 0.811 2.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 5.730 -3.068 5.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.817 -0.652 3.499 1.00 0.00 H new ATOM 0 HH2 TRP A 111 8.112 -2.569 4.873 1.00 0.00 H new ATOM 646 N ILE A 112 5.343 4.128 0.990 1.00 0.00 N ATOM 647 CA ILE A 112 5.555 5.212 0.039 1.00 0.00 C ATOM 648 C ILE A 112 5.680 4.677 -1.384 1.00 0.00 C ATOM 649 O ILE A 112 6.761 4.279 -1.816 1.00 0.00 O ATOM 650 CB ILE A 112 6.818 6.024 0.382 1.00 0.00 C ATOM 651 CG1 ILE A 112 6.689 6.644 1.775 1.00 0.00 C ATOM 652 CG2 ILE A 112 7.056 7.102 -0.664 1.00 0.00 C ATOM 653 CD1 ILE A 112 7.048 5.694 2.896 1.00 0.00 C ATOM 0 H ILE A 112 6.119 3.469 1.059 1.00 0.00 H new ATOM 0 HA ILE A 112 4.685 5.865 0.105 1.00 0.00 H new ATOM 0 HB ILE A 112 7.676 5.351 0.382 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.332 7.522 1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.665 6.989 1.917 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.952 7.667 -0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.187 6.638 -1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.199 7.775 -0.694 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.933 6.202 3.854 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.388 4.827 2.864 1.00 0.00 H new ATOM 0 HD13 ILE A 112 8.082 5.368 2.780 1.00 0.00 H new ATOM 665 N ALA A 113 4.566 4.673 -2.108 1.00 0.00 N ATOM 666 CA ALA A 113 4.550 4.191 -3.484 1.00 0.00 C ATOM 667 C ALA A 113 4.331 5.338 -4.465 1.00 0.00 C ATOM 668 O ALA A 113 3.894 6.423 -4.079 1.00 0.00 O ATOM 669 CB ALA A 113 3.474 3.131 -3.660 1.00 0.00 C ATOM 0 H ALA A 113 3.662 4.998 -1.765 1.00 0.00 H new ATOM 0 HA ALA A 113 5.521 3.745 -3.698 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.474 2.781 -4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.676 2.293 -2.992 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.500 3.558 -3.422 1.00 0.00 H new ATOM 675 N TYR A 114 4.638 5.092 -5.733 1.00 0.00 N ATOM 676 CA TYR A 114 4.477 6.105 -6.769 1.00 0.00 C ATOM 677 C TYR A 114 3.874 5.501 -8.034 1.00 0.00 C ATOM 678 O TYR A 114 4.433 4.574 -8.620 1.00 0.00 O ATOM 679 CB TYR A 114 5.825 6.752 -7.092 1.00 0.00 C ATOM 680 CG TYR A 114 6.906 5.755 -7.447 1.00 0.00 C ATOM 681 CD1 TYR A 114 7.403 4.873 -6.496 1.00 0.00 C ATOM 682 CD2 TYR A 114 7.430 5.697 -8.732 1.00 0.00 C ATOM 683 CE1 TYR A 114 8.391 3.961 -6.815 1.00 0.00 C ATOM 684 CE2 TYR A 114 8.416 4.787 -9.061 1.00 0.00 C ATOM 685 CZ TYR A 114 8.894 3.922 -8.099 1.00 0.00 C ATOM 686 OH TYR A 114 9.877 3.015 -8.421 1.00 0.00 O ATOM 0 H TYR A 114 5.000 4.199 -6.069 1.00 0.00 H new ATOM 0 HA TYR A 114 3.796 6.868 -6.393 1.00 0.00 H new ATOM 0 HB2 TYR A 114 5.696 7.446 -7.922 1.00 0.00 H new ATOM 0 HB3 TYR A 114 6.152 7.339 -6.234 1.00 0.00 H new ATOM 0 HD1 TYR A 114 7.011 4.900 -5.490 1.00 0.00 H new ATOM 0 HD2 TYR A 114 7.060 6.375 -9.487 1.00 0.00 H new ATOM 0 HE1 TYR A 114 8.767 3.283 -6.063 1.00 0.00 H new ATOM 0 HE2 TYR A 114 8.810 4.753 -10.066 1.00 0.00 H new ATOM 0 HH TYR A 114 10.120 3.117 -9.365 1.00 0.00 H new ATOM 696 N SER A 115 2.729 6.034 -8.448 1.00 0.00 N ATOM 697 CA SER A 115 2.047 5.547 -9.641 1.00 0.00 C ATOM 698 C SER A 115 1.643 6.706 -10.547 1.00 0.00 C ATOM 699 O SER A 115 0.758 7.493 -10.210 1.00 0.00 O ATOM 700 CB SER A 115 0.811 4.734 -9.251 1.00 0.00 C ATOM 701 OG SER A 115 1.139 3.728 -8.309 1.00 0.00 O ATOM 0 H SER A 115 2.254 6.803 -7.975 1.00 0.00 H new ATOM 0 HA SER A 115 2.737 4.905 -10.188 1.00 0.00 H new ATOM 0 HB2 SER A 115 0.054 5.396 -8.832 1.00 0.00 H new ATOM 0 HB3 SER A 115 0.377 4.277 -10.140 1.00 0.00 H new ATOM 0 HG SER A 115 1.373 2.902 -8.781 1.00 0.00 H new ATOM 707 N ASP A 116 2.297 6.805 -11.699 1.00 0.00 N ATOM 708 CA ASP A 116 2.006 7.866 -12.656 1.00 0.00 C ATOM 709 C ASP A 116 0.501 8.026 -12.849 1.00 0.00 C ATOM 710 O ASP A 116 0.012 9.127 -13.098 1.00 0.00 O ATOM 711 CB ASP A 116 2.676 7.570 -13.998 1.00 0.00 C ATOM 712 CG ASP A 116 2.021 6.415 -14.730 1.00 0.00 C ATOM 713 OD1 ASP A 116 2.210 5.258 -14.300 1.00 0.00 O ATOM 714 OD2 ASP A 116 1.321 6.668 -15.733 1.00 0.00 O ATOM 0 H ASP A 116 3.033 6.163 -11.993 1.00 0.00 H new ATOM 0 HA ASP A 116 2.405 8.799 -12.258 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.638 8.461 -14.624 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.729 7.341 -13.833 1.00 0.00 H new ATOM 719 N GLU A 117 -0.226 6.920 -12.733 1.00 0.00 N ATOM 720 CA GLU A 117 -1.675 6.938 -12.897 1.00 0.00 C ATOM 721 C GLU A 117 -2.352 7.561 -11.679 1.00 0.00 C ATOM 722 O GLU A 117 -2.329 6.998 -10.585 1.00 0.00 O ATOM 723 CB GLU A 117 -2.204 5.519 -13.117 1.00 0.00 C ATOM 724 CG GLU A 117 -1.914 4.575 -11.962 1.00 0.00 C ATOM 725 CD GLU A 117 -1.945 3.117 -12.378 1.00 0.00 C ATOM 726 OE1 GLU A 117 -2.552 2.814 -13.427 1.00 0.00 O ATOM 727 OE2 GLU A 117 -1.364 2.281 -11.656 1.00 0.00 O ATOM 0 H GLU A 117 0.164 6.000 -12.526 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.908 7.545 -13.772 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -3.281 5.563 -13.278 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -1.762 5.113 -14.027 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -0.935 4.809 -11.544 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -2.646 4.739 -11.171 1.00 0.00 H new ATOM 734 N LYS A 118 -2.954 8.729 -11.878 1.00 0.00 N ATOM 735 CA LYS A 118 -3.639 9.431 -10.799 1.00 0.00 C ATOM 736 C LYS A 118 -4.627 8.509 -10.091 1.00 0.00 C ATOM 737 O LYS A 118 -5.645 8.117 -10.664 1.00 0.00 O ATOM 738 CB LYS A 118 -4.371 10.659 -11.345 1.00 0.00 C ATOM 739 CG LYS A 118 -3.454 11.833 -11.639 1.00 0.00 C ATOM 740 CD LYS A 118 -2.949 12.479 -10.360 1.00 0.00 C ATOM 741 CE LYS A 118 -4.007 13.371 -9.729 1.00 0.00 C ATOM 742 NZ LYS A 118 -4.325 14.546 -10.587 1.00 0.00 N ATOM 0 H LYS A 118 -2.981 9.210 -12.777 1.00 0.00 H new ATOM 0 HA LYS A 118 -2.890 9.755 -10.077 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -4.897 10.382 -12.259 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -5.127 10.971 -10.625 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.607 11.494 -12.236 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -3.988 12.573 -12.235 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.655 11.704 -9.652 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -2.057 13.068 -10.576 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -4.914 12.792 -9.556 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -3.658 13.716 -8.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -4.770 15.287 -10.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -3.449 14.915 -11.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -4.978 14.257 -11.343 1.00 0.00 H new ATOM 756 N LEU A 119 -4.322 8.168 -8.844 1.00 0.00 N ATOM 757 CA LEU A 119 -5.185 7.294 -8.058 1.00 0.00 C ATOM 758 C LEU A 119 -6.257 8.098 -7.329 1.00 0.00 C ATOM 759 O LEU A 119 -6.362 9.312 -7.504 1.00 0.00 O ATOM 760 CB LEU A 119 -4.354 6.498 -7.049 1.00 0.00 C ATOM 761 CG LEU A 119 -3.152 5.742 -7.617 1.00 0.00 C ATOM 762 CD1 LEU A 119 -2.377 5.058 -6.502 1.00 0.00 C ATOM 763 CD2 LEU A 119 -3.603 4.727 -8.657 1.00 0.00 C ATOM 0 H LEU A 119 -3.484 8.483 -8.356 1.00 0.00 H new ATOM 0 HA LEU A 119 -5.678 6.602 -8.741 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -3.996 7.184 -6.281 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -5.009 5.780 -6.555 1.00 0.00 H new ATOM 0 HG LEU A 119 -2.492 6.460 -8.103 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -1.525 4.525 -6.925 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -2.021 5.806 -5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -3.028 4.351 -5.987 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -2.735 4.199 -9.050 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -4.285 4.012 -8.196 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -4.113 5.242 -9.471 1.00 0.00 H new ATOM 775 N SER A 120 -7.049 7.413 -6.511 1.00 0.00 N ATOM 776 CA SER A 120 -8.114 8.064 -5.756 1.00 0.00 C ATOM 777 C SER A 120 -8.244 7.454 -4.364 1.00 0.00 C ATOM 778 O SER A 120 -7.930 6.281 -4.155 1.00 0.00 O ATOM 779 CB SER A 120 -9.443 7.945 -6.504 1.00 0.00 C ATOM 780 OG SER A 120 -9.238 7.895 -7.905 1.00 0.00 O ATOM 0 H SER A 120 -6.974 6.408 -6.354 1.00 0.00 H new ATOM 0 HA SER A 120 -7.858 9.118 -5.649 1.00 0.00 H new ATOM 0 HB2 SER A 120 -9.968 7.047 -6.178 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.080 8.794 -6.257 1.00 0.00 H new ATOM 0 HG SER A 120 -10.103 7.817 -8.360 1.00 0.00 H new ATOM 786 N LEU A 121 -8.710 8.257 -3.414 1.00 0.00 N ATOM 787 CA LEU A 121 -8.883 7.798 -2.040 1.00 0.00 C ATOM 788 C LEU A 121 -9.850 6.621 -1.977 1.00 0.00 C ATOM 789 O LEU A 121 -10.894 6.626 -2.628 1.00 0.00 O ATOM 790 CB LEU A 121 -9.394 8.941 -1.161 1.00 0.00 C ATOM 791 CG LEU A 121 -8.590 10.240 -1.213 1.00 0.00 C ATOM 792 CD1 LEU A 121 -9.342 11.362 -0.514 1.00 0.00 C ATOM 793 CD2 LEU A 121 -7.217 10.044 -0.586 1.00 0.00 C ATOM 0 H LEU A 121 -8.975 9.230 -3.570 1.00 0.00 H new ATOM 0 HA LEU A 121 -7.913 7.467 -1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -10.422 9.162 -1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -9.420 8.594 -0.128 1.00 0.00 H new ATOM 0 HG LEU A 121 -8.453 10.518 -2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -8.754 12.279 -0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -10.301 11.520 -1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -9.511 11.093 0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -6.659 10.979 -0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -7.332 9.741 0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -6.675 9.271 -1.131 1.00 0.00 H new ATOM 805 N GLY A 122 -9.496 5.612 -1.187 1.00 0.00 N ATOM 806 CA GLY A 122 -10.344 4.443 -1.051 1.00 0.00 C ATOM 807 C GLY A 122 -10.182 3.472 -2.204 1.00 0.00 C ATOM 808 O GLY A 122 -10.858 2.444 -2.259 1.00 0.00 O ATOM 0 H GLY A 122 -8.636 5.584 -0.639 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -10.109 3.934 -0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -11.385 4.759 -0.989 1.00 0.00 H new ATOM 812 N ASP A 123 -9.285 3.798 -3.128 1.00 0.00 N ATOM 813 CA ASP A 123 -9.036 2.947 -4.286 1.00 0.00 C ATOM 814 C ASP A 123 -8.228 1.715 -3.891 1.00 0.00 C ATOM 815 O ASP A 123 -7.802 1.581 -2.744 1.00 0.00 O ATOM 816 CB ASP A 123 -8.296 3.730 -5.371 1.00 0.00 C ATOM 817 CG ASP A 123 -8.305 3.017 -6.709 1.00 0.00 C ATOM 818 OD1 ASP A 123 -9.325 2.372 -7.029 1.00 0.00 O ATOM 819 OD2 ASP A 123 -7.292 3.102 -7.435 1.00 0.00 O ATOM 0 H ASP A 123 -8.718 4.645 -3.098 1.00 0.00 H new ATOM 0 HA ASP A 123 -9.998 2.618 -4.678 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -8.755 4.712 -5.483 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -7.265 3.894 -5.057 1.00 0.00 H new ATOM 824 N ARG A 124 -8.022 0.816 -4.849 1.00 0.00 N ATOM 825 CA ARG A 124 -7.268 -0.406 -4.600 1.00 0.00 C ATOM 826 C ARG A 124 -6.057 -0.495 -5.524 1.00 0.00 C ATOM 827 O ARG A 124 -6.170 -0.299 -6.734 1.00 0.00 O ATOM 828 CB ARG A 124 -8.163 -1.632 -4.796 1.00 0.00 C ATOM 829 CG ARG A 124 -7.637 -2.885 -4.117 1.00 0.00 C ATOM 830 CD ARG A 124 -8.169 -3.017 -2.699 1.00 0.00 C ATOM 831 NE ARG A 124 -9.426 -3.759 -2.653 1.00 0.00 N ATOM 832 CZ ARG A 124 -10.158 -3.896 -1.553 1.00 0.00 C ATOM 833 NH1 ARG A 124 -9.761 -3.343 -0.415 1.00 0.00 N ATOM 834 NH2 ARG A 124 -11.291 -4.587 -1.590 1.00 0.00 N ATOM 0 H ARG A 124 -8.367 0.912 -5.804 1.00 0.00 H new ATOM 0 HA ARG A 124 -6.916 -0.382 -3.569 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -9.158 -1.410 -4.410 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -8.271 -1.825 -5.863 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -7.924 -3.762 -4.697 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -6.548 -2.859 -4.097 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -7.428 -3.521 -2.079 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -8.318 -2.024 -2.274 1.00 0.00 H new ATOM 0 HE ARG A 124 -9.760 -4.196 -3.512 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -8.891 -2.811 -0.383 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -10.325 -3.450 0.428 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -11.600 -5.013 -2.464 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -11.852 -4.692 -0.745 1.00 0.00 H new ATOM 848 N VAL A 125 -4.898 -0.791 -4.944 1.00 0.00 N ATOM 849 CA VAL A 125 -3.665 -0.907 -5.714 1.00 0.00 C ATOM 850 C VAL A 125 -2.807 -2.061 -5.209 1.00 0.00 C ATOM 851 O VAL A 125 -2.616 -2.224 -4.004 1.00 0.00 O ATOM 852 CB VAL A 125 -2.843 0.394 -5.655 1.00 0.00 C ATOM 853 CG1 VAL A 125 -3.667 1.571 -6.154 1.00 0.00 C ATOM 854 CG2 VAL A 125 -2.343 0.644 -4.240 1.00 0.00 C ATOM 0 H VAL A 125 -4.787 -0.955 -3.943 1.00 0.00 H new ATOM 0 HA VAL A 125 -3.954 -1.099 -6.747 1.00 0.00 H new ATOM 0 HB VAL A 125 -1.977 0.286 -6.308 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -3.069 2.481 -6.105 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -3.970 1.392 -7.186 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -4.553 1.685 -5.530 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -1.764 1.567 -4.216 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -3.193 0.732 -3.564 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -1.713 -0.188 -3.925 1.00 0.00 H new ATOM 864 N MET A 126 -2.292 -2.859 -6.138 1.00 0.00 N ATOM 865 CA MET A 126 -1.452 -3.998 -5.786 1.00 0.00 C ATOM 866 C MET A 126 0.019 -3.691 -6.048 1.00 0.00 C ATOM 867 O MET A 126 0.351 -2.920 -6.948 1.00 0.00 O ATOM 868 CB MET A 126 -1.876 -5.236 -6.581 1.00 0.00 C ATOM 869 CG MET A 126 -0.936 -6.418 -6.409 1.00 0.00 C ATOM 870 SD MET A 126 -1.159 -7.673 -7.685 1.00 0.00 S ATOM 871 CE MET A 126 -2.403 -8.712 -6.924 1.00 0.00 C ATOM 0 H MET A 126 -2.441 -2.738 -7.140 1.00 0.00 H new ATOM 0 HA MET A 126 -1.579 -4.196 -4.722 1.00 0.00 H new ATOM 0 HB2 MET A 126 -2.879 -5.531 -6.271 1.00 0.00 H new ATOM 0 HB3 MET A 126 -1.932 -4.977 -7.638 1.00 0.00 H new ATOM 0 HG2 MET A 126 0.095 -6.064 -6.429 1.00 0.00 H new ATOM 0 HG3 MET A 126 -1.099 -6.868 -5.430 1.00 0.00 H new ATOM 0 HE1 MET A 126 -2.814 -9.393 -7.669 1.00 0.00 H new ATOM 0 HE2 MET A 126 -1.951 -9.288 -6.116 1.00 0.00 H new ATOM 0 HE3 MET A 126 -3.202 -8.088 -6.522 1.00 0.00 H new ATOM 881 N VAL A 127 0.896 -4.297 -5.255 1.00 0.00 N ATOM 882 CA VAL A 127 2.331 -4.089 -5.401 1.00 0.00 C ATOM 883 C VAL A 127 2.905 -4.970 -6.505 1.00 0.00 C ATOM 884 O VAL A 127 2.783 -6.194 -6.463 1.00 0.00 O ATOM 885 CB VAL A 127 3.078 -4.380 -4.086 1.00 0.00 C ATOM 886 CG1 VAL A 127 4.582 -4.311 -4.299 1.00 0.00 C ATOM 887 CG2 VAL A 127 2.640 -3.411 -2.999 1.00 0.00 C ATOM 0 H VAL A 127 0.637 -4.937 -4.504 1.00 0.00 H new ATOM 0 HA VAL A 127 2.473 -3.041 -5.666 1.00 0.00 H new ATOM 0 HB VAL A 127 2.828 -5.390 -3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 127 5.093 -4.519 -3.359 1.00 0.00 H new ATOM 0 HG12 VAL A 127 4.878 -5.049 -5.044 1.00 0.00 H new ATOM 0 HG13 VAL A 127 4.855 -3.315 -4.647 1.00 0.00 H new ATOM 0 HG21 VAL A 127 3.178 -3.631 -2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 127 2.859 -2.390 -3.312 1.00 0.00 H new ATOM 0 HG23 VAL A 127 1.569 -3.516 -2.828 1.00 0.00 H new ATOM 897 N VAL A 128 3.532 -4.339 -7.492 1.00 0.00 N ATOM 898 CA VAL A 128 4.127 -5.065 -8.608 1.00 0.00 C ATOM 899 C VAL A 128 5.626 -5.253 -8.404 1.00 0.00 C ATOM 900 O VAL A 128 6.218 -6.206 -8.911 1.00 0.00 O ATOM 901 CB VAL A 128 3.889 -4.336 -9.944 1.00 0.00 C ATOM 902 CG1 VAL A 128 4.591 -2.987 -9.948 1.00 0.00 C ATOM 903 CG2 VAL A 128 4.357 -5.194 -11.109 1.00 0.00 C ATOM 0 H VAL A 128 3.641 -3.326 -7.542 1.00 0.00 H new ATOM 0 HA VAL A 128 3.643 -6.041 -8.645 1.00 0.00 H new ATOM 0 HB VAL A 128 2.819 -4.162 -10.058 1.00 0.00 H new ATOM 0 HG11 VAL A 128 4.412 -2.486 -10.900 1.00 0.00 H new ATOM 0 HG12 VAL A 128 4.203 -2.372 -9.136 1.00 0.00 H new ATOM 0 HG13 VAL A 128 5.662 -3.134 -9.811 1.00 0.00 H new ATOM 0 HG21 VAL A 128 4.181 -4.664 -12.045 1.00 0.00 H new ATOM 0 HG22 VAL A 128 5.422 -5.401 -11.004 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.804 -6.133 -11.115 1.00 0.00 H new ATOM 913 N ASP A 129 6.236 -4.337 -7.660 1.00 0.00 N ATOM 914 CA ASP A 129 7.667 -4.402 -7.387 1.00 0.00 C ATOM 915 C ASP A 129 8.015 -3.622 -6.123 1.00 0.00 C ATOM 916 O ASP A 129 7.399 -2.600 -5.822 1.00 0.00 O ATOM 917 CB ASP A 129 8.459 -3.853 -8.574 1.00 0.00 C ATOM 918 CG ASP A 129 8.754 -4.916 -9.615 1.00 0.00 C ATOM 919 OD1 ASP A 129 9.370 -5.941 -9.257 1.00 0.00 O ATOM 920 OD2 ASP A 129 8.369 -4.721 -10.787 1.00 0.00 O ATOM 0 H ASP A 129 5.762 -3.540 -7.235 1.00 0.00 H new ATOM 0 HA ASP A 129 7.936 -5.447 -7.233 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.898 -3.041 -9.037 1.00 0.00 H new ATOM 0 HB3 ASP A 129 9.397 -3.429 -8.216 1.00 0.00 H new ATOM 925 N VAL A 130 9.007 -4.112 -5.386 1.00 0.00 N ATOM 926 CA VAL A 130 9.438 -3.462 -4.154 1.00 0.00 C ATOM 927 C VAL A 130 10.941 -3.209 -4.162 1.00 0.00 C ATOM 928 O VAL A 130 11.737 -4.141 -4.282 1.00 0.00 O ATOM 929 CB VAL A 130 9.077 -4.306 -2.917 1.00 0.00 C ATOM 930 CG1 VAL A 130 9.793 -3.779 -1.683 1.00 0.00 C ATOM 931 CG2 VAL A 130 7.571 -4.321 -2.704 1.00 0.00 C ATOM 0 H VAL A 130 9.527 -4.957 -5.621 1.00 0.00 H new ATOM 0 HA VAL A 130 8.913 -2.509 -4.100 1.00 0.00 H new ATOM 0 HB VAL A 130 9.407 -5.331 -3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 130 9.526 -4.388 -0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 130 10.871 -3.825 -1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 130 9.497 -2.745 -1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 130 7.334 -4.922 -1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 130 7.215 -3.302 -2.554 1.00 0.00 H new ATOM 0 HG23 VAL A 130 7.084 -4.750 -3.580 1.00 0.00 H new ATOM 941 N ASP A 131 11.323 -1.943 -4.035 1.00 0.00 N ATOM 942 CA ASP A 131 12.732 -1.567 -4.026 1.00 0.00 C ATOM 943 C ASP A 131 13.170 -1.135 -2.630 1.00 0.00 C ATOM 944 O ASP A 131 14.117 -0.365 -2.475 1.00 0.00 O ATOM 945 CB ASP A 131 12.987 -0.438 -5.026 1.00 0.00 C ATOM 946 CG ASP A 131 14.386 -0.486 -5.609 1.00 0.00 C ATOM 947 OD1 ASP A 131 15.349 -0.644 -4.830 1.00 0.00 O ATOM 948 OD2 ASP A 131 14.517 -0.367 -6.845 1.00 0.00 O ATOM 0 H ASP A 131 10.677 -1.160 -3.937 1.00 0.00 H new ATOM 0 HA ASP A 131 13.317 -2.439 -4.317 1.00 0.00 H new ATOM 0 HB2 ASP A 131 12.258 -0.500 -5.834 1.00 0.00 H new ATOM 0 HB3 ASP A 131 12.835 0.522 -4.532 1.00 0.00 H new ATOM 953 N GLY A 132 12.473 -1.637 -1.614 1.00 0.00 N ATOM 954 CA GLY A 132 12.805 -1.291 -0.244 1.00 0.00 C ATOM 955 C GLY A 132 11.672 -0.573 0.462 1.00 0.00 C ATOM 956 O GLY A 132 10.700 -1.198 0.888 1.00 0.00 O ATOM 0 H GLY A 132 11.685 -2.277 -1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 132 13.055 -2.198 0.306 1.00 0.00 H new ATOM 0 HA3 GLY A 132 13.693 -0.658 -0.237 1.00 0.00 H new ATOM 960 N LEU A 133 11.797 0.743 0.591 1.00 0.00 N ATOM 961 CA LEU A 133 10.777 1.548 1.253 1.00 0.00 C ATOM 962 C LEU A 133 9.682 1.954 0.271 1.00 0.00 C ATOM 963 O LEU A 133 8.636 2.469 0.668 1.00 0.00 O ATOM 964 CB LEU A 133 11.407 2.795 1.876 1.00 0.00 C ATOM 965 CG LEU A 133 10.721 3.339 3.129 1.00 0.00 C ATOM 966 CD1 LEU A 133 10.892 2.374 4.292 1.00 0.00 C ATOM 967 CD2 LEU A 133 11.273 4.711 3.487 1.00 0.00 C ATOM 0 H LEU A 133 12.595 1.276 0.246 1.00 0.00 H new ATOM 0 HA LEU A 133 10.328 0.944 2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 133 12.444 2.569 2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 133 11.423 3.584 1.124 1.00 0.00 H new ATOM 0 HG LEU A 133 9.656 3.441 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 133 10.397 2.778 5.175 1.00 0.00 H new ATOM 0 HD12 LEU A 133 10.448 1.412 4.035 1.00 0.00 H new ATOM 0 HD13 LEU A 133 11.953 2.240 4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 133 10.773 5.082 4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 133 12.344 4.635 3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 133 11.098 5.400 2.661 1.00 0.00 H new ATOM 979 N LYS A 134 9.927 1.716 -1.013 1.00 0.00 N ATOM 980 CA LYS A 134 8.962 2.053 -2.052 1.00 0.00 C ATOM 981 C LYS A 134 8.457 0.796 -2.754 1.00 0.00 C ATOM 982 O LYS A 134 9.230 -0.120 -3.041 1.00 0.00 O ATOM 983 CB LYS A 134 9.592 3.002 -3.074 1.00 0.00 C ATOM 984 CG LYS A 134 10.967 2.562 -3.546 1.00 0.00 C ATOM 985 CD LYS A 134 11.439 3.386 -4.732 1.00 0.00 C ATOM 986 CE LYS A 134 11.740 4.822 -4.329 1.00 0.00 C ATOM 987 NZ LYS A 134 13.158 4.994 -3.907 1.00 0.00 N ATOM 0 H LYS A 134 10.787 1.290 -1.359 1.00 0.00 H new ATOM 0 HA LYS A 134 8.115 2.549 -1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 134 8.930 3.085 -3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 134 9.669 3.997 -2.635 1.00 0.00 H new ATOM 0 HG2 LYS A 134 11.681 2.657 -2.728 1.00 0.00 H new ATOM 0 HG3 LYS A 134 10.938 1.508 -3.822 1.00 0.00 H new ATOM 0 HD2 LYS A 134 12.333 2.932 -5.159 1.00 0.00 H new ATOM 0 HD3 LYS A 134 10.675 3.378 -5.509 1.00 0.00 H new ATOM 0 HE2 LYS A 134 11.527 5.486 -5.166 1.00 0.00 H new ATOM 0 HE3 LYS A 134 11.080 5.116 -3.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 13.323 5.986 -3.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 13.355 4.379 -3.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 13.788 4.738 -4.694 1.00 0.00 H new ATOM 1001 N LEU A 135 7.158 0.759 -3.030 1.00 0.00 N ATOM 1002 CA LEU A 135 6.551 -0.385 -3.700 1.00 0.00 C ATOM 1003 C LEU A 135 5.670 0.069 -4.860 1.00 0.00 C ATOM 1004 O LEU A 135 4.570 0.584 -4.654 1.00 0.00 O ATOM 1005 CB LEU A 135 5.725 -1.204 -2.707 1.00 0.00 C ATOM 1006 CG LEU A 135 6.220 -1.202 -1.260 1.00 0.00 C ATOM 1007 CD1 LEU A 135 5.600 -0.050 -0.485 1.00 0.00 C ATOM 1008 CD2 LEU A 135 5.906 -2.530 -0.587 1.00 0.00 C ATOM 0 H LEU A 135 6.505 1.508 -2.800 1.00 0.00 H new ATOM 0 HA LEU A 135 7.351 -1.009 -4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.702 -0.829 -2.720 1.00 0.00 H new ATOM 0 HB3 LEU A 135 5.691 -2.236 -3.057 1.00 0.00 H new ATOM 0 HG LEU A 135 7.302 -1.068 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 135 5.964 -0.065 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 135 5.876 0.894 -0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 135 4.515 -0.152 -0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 135 6.265 -2.510 0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.829 -2.695 -0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.399 -3.338 -1.128 1.00 0.00 H new ATOM 1020 N LYS A 136 6.158 -0.128 -6.080 1.00 0.00 N ATOM 1021 CA LYS A 136 5.415 0.257 -7.274 1.00 0.00 C ATOM 1022 C LYS A 136 4.036 -0.396 -7.290 1.00 0.00 C ATOM 1023 O LYS A 136 3.913 -1.604 -7.491 1.00 0.00 O ATOM 1024 CB LYS A 136 6.192 -0.136 -8.532 1.00 0.00 C ATOM 1025 CG LYS A 136 5.929 0.774 -9.719 1.00 0.00 C ATOM 1026 CD LYS A 136 4.576 0.492 -10.349 1.00 0.00 C ATOM 1027 CE LYS A 136 4.189 1.573 -11.346 1.00 0.00 C ATOM 1028 NZ LYS A 136 3.626 2.775 -10.671 1.00 0.00 N ATOM 0 H LYS A 136 7.066 -0.553 -6.268 1.00 0.00 H new ATOM 0 HA LYS A 136 5.285 1.339 -7.258 1.00 0.00 H new ATOM 0 HB2 LYS A 136 7.259 -0.127 -8.308 1.00 0.00 H new ATOM 0 HB3 LYS A 136 5.932 -1.159 -8.805 1.00 0.00 H new ATOM 0 HG2 LYS A 136 5.972 1.815 -9.397 1.00 0.00 H new ATOM 0 HG3 LYS A 136 6.713 0.638 -10.464 1.00 0.00 H new ATOM 0 HD2 LYS A 136 4.602 -0.475 -10.851 1.00 0.00 H new ATOM 0 HD3 LYS A 136 3.817 0.426 -9.569 1.00 0.00 H new ATOM 0 HE2 LYS A 136 5.065 1.860 -11.928 1.00 0.00 H new ATOM 0 HE3 LYS A 136 3.456 1.174 -12.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 3.517 3.543 -11.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 2.698 2.542 -10.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 4.269 3.081 -9.913 1.00 0.00 H new ATOM 1042 N VAL A 137 3.002 0.412 -7.080 1.00 0.00 N ATOM 1043 CA VAL A 137 1.632 -0.087 -7.073 1.00 0.00 C ATOM 1044 C VAL A 137 0.906 0.283 -8.362 1.00 0.00 C ATOM 1045 O VAL A 137 1.190 1.313 -8.974 1.00 0.00 O ATOM 1046 CB VAL A 137 0.839 0.466 -5.874 1.00 0.00 C ATOM 1047 CG1 VAL A 137 1.615 0.264 -4.581 1.00 0.00 C ATOM 1048 CG2 VAL A 137 0.512 1.937 -6.085 1.00 0.00 C ATOM 0 H VAL A 137 3.087 1.415 -6.913 1.00 0.00 H new ATOM 0 HA VAL A 137 1.691 -1.172 -6.991 1.00 0.00 H new ATOM 0 HB VAL A 137 -0.099 -0.084 -5.796 1.00 0.00 H new ATOM 0 HG11 VAL A 137 1.039 0.661 -3.745 1.00 0.00 H new ATOM 0 HG12 VAL A 137 1.793 -0.800 -4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 137 2.570 0.786 -4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.048 2.312 -5.228 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.437 2.504 -6.190 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -0.087 2.051 -6.988 1.00 0.00 H new ATOM 1058 N LYS A 138 -0.032 -0.565 -8.770 1.00 0.00 N ATOM 1059 CA LYS A 138 -0.801 -0.328 -9.986 1.00 0.00 C ATOM 1060 C LYS A 138 -2.297 -0.317 -9.690 1.00 0.00 C ATOM 1061 O LYS A 138 -2.757 -0.955 -8.743 1.00 0.00 O ATOM 1062 CB LYS A 138 -0.485 -1.401 -11.031 1.00 0.00 C ATOM 1063 CG LYS A 138 -0.593 -2.819 -10.497 1.00 0.00 C ATOM 1064 CD LYS A 138 -0.922 -3.808 -11.604 1.00 0.00 C ATOM 1065 CE LYS A 138 0.339 -4.362 -12.249 1.00 0.00 C ATOM 1066 NZ LYS A 138 0.031 -5.179 -13.455 1.00 0.00 N ATOM 0 H LYS A 138 -0.278 -1.423 -8.276 1.00 0.00 H new ATOM 0 HA LYS A 138 -0.519 0.649 -10.380 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -1.166 -1.286 -11.875 1.00 0.00 H new ATOM 0 HB3 LYS A 138 0.524 -1.240 -11.411 1.00 0.00 H new ATOM 0 HG2 LYS A 138 0.346 -3.102 -10.022 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -1.365 -2.862 -9.728 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -1.514 -4.628 -11.197 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -1.534 -3.318 -12.361 1.00 0.00 H new ATOM 0 HE2 LYS A 138 0.997 -3.539 -12.526 1.00 0.00 H new ATOM 0 HE3 LYS A 138 0.879 -4.972 -11.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 0.916 -5.539 -13.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -0.576 -5.979 -13.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -0.462 -4.590 -14.156 1.00 0.00 H new ATOM 1080 N ARG A 139 -3.052 0.412 -10.506 1.00 0.00 N ATOM 1081 CA ARG A 139 -4.496 0.506 -10.331 1.00 0.00 C ATOM 1082 C ARG A 139 -5.166 -0.836 -10.613 1.00 0.00 C ATOM 1083 O ARG A 139 -5.074 -1.366 -11.721 1.00 0.00 O ATOM 1084 CB ARG A 139 -5.074 1.580 -11.254 1.00 0.00 C ATOM 1085 CG ARG A 139 -6.593 1.579 -11.314 1.00 0.00 C ATOM 1086 CD ARG A 139 -7.193 2.491 -10.255 1.00 0.00 C ATOM 1087 NE ARG A 139 -8.554 2.900 -10.592 1.00 0.00 N ATOM 1088 CZ ARG A 139 -8.844 3.748 -11.573 1.00 0.00 C ATOM 1089 NH1 ARG A 139 -7.875 4.273 -12.309 1.00 0.00 N ATOM 1090 NH2 ARG A 139 -10.107 4.072 -11.819 1.00 0.00 N ATOM 0 H ARG A 139 -2.687 0.946 -11.295 1.00 0.00 H new ATOM 0 HA ARG A 139 -4.694 0.782 -9.295 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -4.733 2.559 -10.917 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -4.679 1.434 -12.259 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -6.919 1.903 -12.302 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -6.963 0.563 -11.173 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -7.197 1.977 -9.294 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -6.566 3.376 -10.141 1.00 0.00 H new ATOM 0 HE ARG A 139 -9.323 2.514 -10.045 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -6.903 4.026 -12.123 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -8.101 4.924 -13.061 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -10.856 3.670 -11.255 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -10.329 4.723 -12.572 1.00 0.00 H new ATOM 1104 N ILE A 140 -5.840 -1.379 -9.605 1.00 0.00 N ATOM 1105 CA ILE A 140 -6.525 -2.658 -9.745 1.00 0.00 C ATOM 1106 C ILE A 140 -7.984 -2.549 -9.316 1.00 0.00 C ATOM 1107 O ILE A 140 -8.322 -1.879 -8.339 1.00 0.00 O ATOM 1108 CB ILE A 140 -5.838 -3.758 -8.915 1.00 0.00 C ATOM 1109 CG1 ILE A 140 -5.804 -3.367 -7.436 1.00 0.00 C ATOM 1110 CG2 ILE A 140 -4.430 -4.012 -9.434 1.00 0.00 C ATOM 1111 CD1 ILE A 140 -5.704 -4.550 -6.500 1.00 0.00 C ATOM 0 H ILE A 140 -5.926 -0.953 -8.682 1.00 0.00 H new ATOM 0 HA ILE A 140 -6.478 -2.928 -10.800 1.00 0.00 H new ATOM 0 HB ILE A 140 -6.413 -4.679 -9.014 1.00 0.00 H new ATOM 0 HG12 ILE A 140 -4.956 -2.705 -7.263 1.00 0.00 H new ATOM 0 HG13 ILE A 140 -6.704 -2.801 -7.198 1.00 0.00 H new ATOM 0 HG21 ILE A 140 -3.957 -4.792 -8.837 1.00 0.00 H new ATOM 0 HG22 ILE A 140 -4.478 -4.331 -10.475 1.00 0.00 H new ATOM 0 HG23 ILE A 140 -3.845 -3.095 -9.362 1.00 0.00 H new ATOM 0 HD11 ILE A 140 -5.685 -4.197 -5.469 1.00 0.00 H new ATOM 0 HD12 ILE A 140 -6.565 -5.202 -6.644 1.00 0.00 H new ATOM 0 HD13 ILE A 140 -4.790 -5.105 -6.711 1.00 0.00 H new