USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 396 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 34 CYS SG : rot 150:sc= 0.904 USER MOD Set 1.2: A 37 CYS SG : rot -51:sc= 0.361 USER MOD Set 1.3: A 60 CYS SG : rot -133:sc= 0.407 USER MOD Set 1.4: A 63 CYS SG : rot 104:sc= 0.232 USER MOD Set 2.1: A 19 CYS SG : rot 149:sc= 0.343 USER MOD Set 2.2: A 22 CYS SG : rot -55:sc= -0.0998 USER MOD Set 2.3: A 42 HIS : no HD1:sc= -3.12 X(o=-2.9,f=-3.3) USER MOD Set 2.4: A 45 CYS SG : rot 132:sc= 0.024 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0318 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0588 K(o=-0.059,f=-1.5!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0294 USER MOD Single : A 30 LYS NZ :NH3+ 154:sc= -0.0671 (180deg=-0.432) USER MOD Single : A 40 ASN : amide:sc= -1.84 K(o=-1.8,f=-3.2) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -158:sc= -0.126 (180deg=-0.505) USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 16 10.995 13.504 8.816 1.00 0.00 N ATOM 184 CA SER A 16 12.030 12.718 8.154 1.00 0.00 C ATOM 185 C SER A 16 11.488 11.359 7.724 1.00 0.00 C ATOM 186 O SER A 16 10.308 11.060 7.913 1.00 0.00 O ATOM 187 CB SER A 16 13.230 12.530 9.084 1.00 0.00 C ATOM 188 OG SER A 16 14.358 12.054 8.371 1.00 0.00 O ATOM 0 HA SER A 16 12.350 13.260 7.264 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.473 13.477 9.565 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.973 11.827 9.876 1.00 0.00 H new ATOM 0 HG SER A 16 15.112 11.944 8.987 1.00 0.00 H new ATOM 194 N TYR A 17 12.357 10.539 7.144 1.00 0.00 N ATOM 195 CA TYR A 17 11.966 9.212 6.684 1.00 0.00 C ATOM 196 C TYR A 17 12.846 8.136 7.313 1.00 0.00 C ATOM 197 O TYR A 17 14.048 8.071 7.053 1.00 0.00 O ATOM 198 CB TYR A 17 12.056 9.131 5.159 1.00 0.00 C ATOM 199 CG TYR A 17 11.447 10.321 4.453 1.00 0.00 C ATOM 200 CD1 TYR A 17 10.140 10.715 4.713 1.00 0.00 C ATOM 201 CD2 TYR A 17 12.179 11.053 3.525 1.00 0.00 C ATOM 202 CE1 TYR A 17 9.580 11.801 4.069 1.00 0.00 C ATOM 203 CE2 TYR A 17 11.627 12.141 2.878 1.00 0.00 C ATOM 204 CZ TYR A 17 10.327 12.511 3.153 1.00 0.00 C ATOM 205 OH TYR A 17 9.773 13.595 2.511 1.00 0.00 O ATOM 0 H TYR A 17 13.337 10.770 6.981 1.00 0.00 H new ATOM 0 HA TYR A 17 10.935 9.039 6.991 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.103 9.044 4.869 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.555 8.223 4.821 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.552 10.163 5.431 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.197 10.766 3.306 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.562 12.093 4.282 1.00 0.00 H new ATOM 0 HE2 TYR A 17 12.210 12.699 2.160 1.00 0.00 H new ATOM 0 HH TYR A 17 10.432 13.985 1.899 1.00 0.00 H new ATOM 215 N ILE A 18 12.238 7.295 8.143 1.00 0.00 N ATOM 216 CA ILE A 18 12.964 6.221 8.809 1.00 0.00 C ATOM 217 C ILE A 18 12.439 4.854 8.381 1.00 0.00 C ATOM 218 O ILE A 18 11.235 4.600 8.419 1.00 0.00 O ATOM 219 CB ILE A 18 12.865 6.339 10.341 1.00 0.00 C ATOM 220 CG1 ILE A 18 13.181 7.769 10.785 1.00 0.00 C ATOM 221 CG2 ILE A 18 13.806 5.350 11.011 1.00 0.00 C ATOM 222 CD1 ILE A 18 14.551 8.245 10.358 1.00 0.00 C ATOM 0 H ILE A 18 11.244 7.337 8.370 1.00 0.00 H new ATOM 0 HA ILE A 18 14.009 6.316 8.512 1.00 0.00 H new ATOM 0 HB ILE A 18 11.845 6.101 10.644 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.428 8.443 10.377 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.107 7.829 11.871 1.00 0.00 H new ATOM 0 HG21 ILE A 18 13.724 5.446 12.094 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.538 4.336 10.715 1.00 0.00 H new ATOM 0 HG23 ILE A 18 14.831 5.558 10.705 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.707 9.266 10.707 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.313 7.595 10.788 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.623 8.218 9.271 1.00 0.00 H new ATOM 234 N CYS A 19 13.351 3.977 7.974 1.00 0.00 N ATOM 235 CA CYS A 19 12.981 2.635 7.540 1.00 0.00 C ATOM 236 C CYS A 19 12.115 1.944 8.588 1.00 0.00 C ATOM 237 O CYS A 19 12.185 2.264 9.775 1.00 0.00 O ATOM 238 CB CYS A 19 14.235 1.802 7.268 1.00 0.00 C ATOM 239 SG CYS A 19 13.916 0.252 6.365 1.00 0.00 S ATOM 0 H CYS A 19 14.352 4.172 7.936 1.00 0.00 H new ATOM 0 HA CYS A 19 12.404 2.723 6.619 1.00 0.00 H new ATOM 0 HB2 CYS A 19 14.941 2.404 6.697 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.714 1.565 8.218 1.00 0.00 H new ATOM 0 HG CYS A 19 14.945 -0.039 5.626 1.00 0.00 H new ATOM 244 N GLN A 20 11.300 0.994 8.141 1.00 0.00 N ATOM 245 CA GLN A 20 10.419 0.258 9.041 1.00 0.00 C ATOM 246 C GLN A 20 10.907 -1.175 9.227 1.00 0.00 C ATOM 247 O GLN A 20 10.135 -2.062 9.594 1.00 0.00 O ATOM 248 CB GLN A 20 8.988 0.256 8.500 1.00 0.00 C ATOM 249 CG GLN A 20 8.184 1.481 8.903 1.00 0.00 C ATOM 250 CD GLN A 20 7.730 1.431 10.349 1.00 0.00 C ATOM 251 OE1 GLN A 20 7.797 0.386 10.997 1.00 0.00 O ATOM 252 NE2 GLN A 20 7.266 2.564 10.863 1.00 0.00 N ATOM 0 H GLN A 20 11.231 0.716 7.162 1.00 0.00 H new ATOM 0 HA GLN A 20 10.432 0.756 10.010 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.020 0.194 7.412 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.475 -0.638 8.855 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.788 2.375 8.746 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.312 1.568 8.255 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.228 3.407 10.289 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.947 2.592 11.831 1.00 0.00 H new ATOM 261 N VAL A 21 12.192 -1.396 8.970 1.00 0.00 N ATOM 262 CA VAL A 21 12.783 -2.722 9.110 1.00 0.00 C ATOM 263 C VAL A 21 14.079 -2.664 9.911 1.00 0.00 C ATOM 264 O VAL A 21 14.329 -3.511 10.770 1.00 0.00 O ATOM 265 CB VAL A 21 13.069 -3.357 7.736 1.00 0.00 C ATOM 266 CG1 VAL A 21 13.712 -4.725 7.904 1.00 0.00 C ATOM 267 CG2 VAL A 21 11.790 -3.456 6.919 1.00 0.00 C ATOM 0 H VAL A 21 12.844 -0.674 8.664 1.00 0.00 H new ATOM 0 HA VAL A 21 12.058 -3.337 9.642 1.00 0.00 H new ATOM 0 HB VAL A 21 13.768 -2.717 7.197 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.907 -5.158 6.923 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.651 -4.621 8.448 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.040 -5.377 8.462 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.010 -3.907 5.951 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.066 -4.073 7.450 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.376 -2.459 6.769 1.00 0.00 H new ATOM 277 N CYS A 22 14.900 -1.660 9.625 1.00 0.00 N ATOM 278 CA CYS A 22 16.172 -1.490 10.319 1.00 0.00 C ATOM 279 C CYS A 22 16.178 -0.200 11.134 1.00 0.00 C ATOM 280 O CYS A 22 17.009 -0.021 12.024 1.00 0.00 O ATOM 281 CB CYS A 22 17.326 -1.477 9.315 1.00 0.00 C ATOM 282 SG CYS A 22 17.272 -0.089 8.137 1.00 0.00 S ATOM 0 H CYS A 22 14.708 -0.951 8.917 1.00 0.00 H new ATOM 0 HA CYS A 22 16.301 -2.331 11.001 1.00 0.00 H new ATOM 0 HB2 CYS A 22 18.268 -1.439 9.862 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.319 -2.413 8.757 1.00 0.00 H new ATOM 0 HG CYS A 22 16.123 -0.080 7.530 1.00 0.00 H new ATOM 287 N SER A 23 15.246 0.695 10.823 1.00 0.00 N ATOM 288 CA SER A 23 15.147 1.970 11.524 1.00 0.00 C ATOM 289 C SER A 23 16.394 2.817 11.291 1.00 0.00 C ATOM 290 O SER A 23 17.134 3.123 12.226 1.00 0.00 O ATOM 291 CB SER A 23 14.948 1.738 13.023 1.00 0.00 C ATOM 292 OG SER A 23 14.199 0.558 13.261 1.00 0.00 O ATOM 0 H SER A 23 14.549 0.561 10.091 1.00 0.00 H new ATOM 0 HA SER A 23 14.285 2.507 11.129 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.918 1.662 13.514 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.434 2.593 13.462 1.00 0.00 H new ATOM 0 HG SER A 23 14.087 0.431 14.226 1.00 0.00 H new ATOM 298 N ARG A 24 16.619 3.193 10.036 1.00 0.00 N ATOM 299 CA ARG A 24 17.777 4.004 9.678 1.00 0.00 C ATOM 300 C ARG A 24 17.346 5.283 8.967 1.00 0.00 C ATOM 301 O ARG A 24 16.156 5.521 8.763 1.00 0.00 O ATOM 302 CB ARG A 24 18.728 3.207 8.784 1.00 0.00 C ATOM 303 CG ARG A 24 19.702 2.332 9.557 1.00 0.00 C ATOM 304 CD ARG A 24 20.776 3.165 10.240 1.00 0.00 C ATOM 305 NE ARG A 24 21.628 2.354 11.106 1.00 0.00 N ATOM 306 CZ ARG A 24 22.773 2.786 11.623 1.00 0.00 C ATOM 307 NH1 ARG A 24 23.201 4.014 11.362 1.00 0.00 N ATOM 308 NH2 ARG A 24 23.493 1.989 12.402 1.00 0.00 N ATOM 0 H ARG A 24 16.015 2.949 9.251 1.00 0.00 H new ATOM 0 HA ARG A 24 18.296 4.277 10.597 1.00 0.00 H new ATOM 0 HB2 ARG A 24 18.142 2.579 8.114 1.00 0.00 H new ATOM 0 HB3 ARG A 24 19.292 3.900 8.160 1.00 0.00 H new ATOM 0 HG2 ARG A 24 19.159 1.753 10.304 1.00 0.00 H new ATOM 0 HG3 ARG A 24 20.170 1.619 8.878 1.00 0.00 H new ATOM 0 HD2 ARG A 24 21.389 3.656 9.484 1.00 0.00 H new ATOM 0 HD3 ARG A 24 20.305 3.952 10.829 1.00 0.00 H new ATOM 0 HE ARG A 24 21.328 1.404 11.326 1.00 0.00 H new ATOM 0 HH11 ARG A 24 22.651 4.629 10.763 1.00 0.00 H new ATOM 0 HH12 ARG A 24 24.080 4.343 11.760 1.00 0.00 H new ATOM 0 HH21 ARG A 24 23.168 1.044 12.604 1.00 0.00 H new ATOM 0 HH22 ARG A 24 24.372 2.322 12.798 1.00 0.00 H new ATOM 322 N GLY A 25 18.322 6.104 8.592 1.00 0.00 N ATOM 323 CA GLY A 25 18.023 7.349 7.908 1.00 0.00 C ATOM 324 C GLY A 25 19.009 7.651 6.797 1.00 0.00 C ATOM 325 O GLY A 25 18.623 8.120 5.726 1.00 0.00 O ATOM 0 H GLY A 25 19.315 5.929 8.750 1.00 0.00 H new ATOM 0 HA2 GLY A 25 17.016 7.299 7.493 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.030 8.167 8.629 1.00 0.00 H new ATOM 329 N ASP A 26 20.285 7.384 7.052 1.00 0.00 N ATOM 330 CA ASP A 26 21.330 7.632 6.064 1.00 0.00 C ATOM 331 C ASP A 26 21.068 6.840 4.787 1.00 0.00 C ATOM 332 O ASP A 26 21.560 7.193 3.716 1.00 0.00 O ATOM 333 CB ASP A 26 22.699 7.263 6.637 1.00 0.00 C ATOM 334 CG ASP A 26 23.751 8.315 6.345 1.00 0.00 C ATOM 335 OD1 ASP A 26 23.872 8.724 5.171 1.00 0.00 O ATOM 336 OD2 ASP A 26 24.453 8.730 7.291 1.00 0.00 O ATOM 0 H ASP A 26 20.621 6.996 7.933 1.00 0.00 H new ATOM 0 HA ASP A 26 21.322 8.694 5.819 1.00 0.00 H new ATOM 0 HB2 ASP A 26 22.614 7.128 7.715 1.00 0.00 H new ATOM 0 HB3 ASP A 26 23.019 6.308 6.220 1.00 0.00 H new ATOM 341 N GLU A 27 20.293 5.767 4.910 1.00 0.00 N ATOM 342 CA GLU A 27 19.969 4.925 3.765 1.00 0.00 C ATOM 343 C GLU A 27 18.792 5.500 2.982 1.00 0.00 C ATOM 344 O GLU A 27 18.366 4.933 1.975 1.00 0.00 O ATOM 345 CB GLU A 27 19.643 3.502 4.226 1.00 0.00 C ATOM 346 CG GLU A 27 20.872 2.637 4.444 1.00 0.00 C ATOM 347 CD GLU A 27 21.634 2.369 3.161 1.00 0.00 C ATOM 348 OE1 GLU A 27 21.126 2.742 2.082 1.00 0.00 O ATOM 349 OE2 GLU A 27 22.736 1.787 3.234 1.00 0.00 O ATOM 0 H GLU A 27 19.878 5.461 5.790 1.00 0.00 H new ATOM 0 HA GLU A 27 20.840 4.897 3.110 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.074 3.551 5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.001 3.027 3.484 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.533 3.126 5.159 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.569 1.688 4.887 1.00 0.00 H new ATOM 356 N ASP A 28 18.271 6.628 3.452 1.00 0.00 N ATOM 357 CA ASP A 28 17.144 7.281 2.797 1.00 0.00 C ATOM 358 C ASP A 28 17.401 7.439 1.302 1.00 0.00 C ATOM 359 O ASP A 28 16.467 7.475 0.501 1.00 0.00 O ATOM 360 CB ASP A 28 16.881 8.648 3.430 1.00 0.00 C ATOM 361 CG ASP A 28 18.029 9.615 3.217 1.00 0.00 C ATOM 362 OD1 ASP A 28 19.191 9.215 3.439 1.00 0.00 O ATOM 363 OD2 ASP A 28 17.765 10.771 2.826 1.00 0.00 O ATOM 0 H ASP A 28 18.611 7.109 4.284 1.00 0.00 H new ATOM 0 HA ASP A 28 16.264 6.652 2.931 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.970 9.072 3.008 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.709 8.523 4.499 1.00 0.00 H new ATOM 368 N ASP A 29 18.674 7.535 0.933 1.00 0.00 N ATOM 369 CA ASP A 29 19.055 7.690 -0.466 1.00 0.00 C ATOM 370 C ASP A 29 18.394 6.622 -1.331 1.00 0.00 C ATOM 371 O ASP A 29 18.138 6.837 -2.516 1.00 0.00 O ATOM 372 CB ASP A 29 20.576 7.614 -0.614 1.00 0.00 C ATOM 373 CG ASP A 29 21.037 7.945 -2.019 1.00 0.00 C ATOM 374 OD1 ASP A 29 21.007 9.138 -2.388 1.00 0.00 O ATOM 375 OD2 ASP A 29 21.429 7.012 -2.751 1.00 0.00 O ATOM 0 H ASP A 29 19.459 7.508 1.583 1.00 0.00 H new ATOM 0 HA ASP A 29 18.713 8.668 -0.804 1.00 0.00 H new ATOM 0 HB2 ASP A 29 21.042 8.303 0.090 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.914 6.612 -0.350 1.00 0.00 H new ATOM 380 N LYS A 30 18.120 5.468 -0.731 1.00 0.00 N ATOM 381 CA LYS A 30 17.489 4.365 -1.445 1.00 0.00 C ATOM 382 C LYS A 30 16.207 3.925 -0.744 1.00 0.00 C ATOM 383 O LYS A 30 15.843 2.749 -0.774 1.00 0.00 O ATOM 384 CB LYS A 30 18.454 3.182 -1.555 1.00 0.00 C ATOM 385 CG LYS A 30 19.528 3.369 -2.612 1.00 0.00 C ATOM 386 CD LYS A 30 20.489 2.193 -2.645 1.00 0.00 C ATOM 387 CE LYS A 30 20.760 1.734 -4.070 1.00 0.00 C ATOM 388 NZ LYS A 30 21.163 2.866 -4.950 1.00 0.00 N ATOM 0 H LYS A 30 18.325 5.273 0.249 1.00 0.00 H new ATOM 0 HA LYS A 30 17.234 4.712 -2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.932 3.022 -0.588 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.885 2.280 -1.782 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.061 3.486 -3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.081 4.287 -2.411 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.428 2.475 -2.168 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.074 1.366 -2.068 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.547 0.980 -4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.866 1.260 -4.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.743 2.506 -5.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.313 3.329 -5.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.715 3.554 -4.399 1.00 0.00 H new ATOM 402 N LEU A 31 15.527 4.877 -0.115 1.00 0.00 N ATOM 403 CA LEU A 31 14.284 4.588 0.593 1.00 0.00 C ATOM 404 C LEU A 31 13.090 4.658 -0.353 1.00 0.00 C ATOM 405 O LEU A 31 13.020 5.533 -1.218 1.00 0.00 O ATOM 406 CB LEU A 31 14.092 5.571 1.749 1.00 0.00 C ATOM 407 CG LEU A 31 14.288 5.002 3.154 1.00 0.00 C ATOM 408 CD1 LEU A 31 14.055 6.078 4.203 1.00 0.00 C ATOM 409 CD2 LEU A 31 13.357 3.820 3.385 1.00 0.00 C ATOM 0 H LEU A 31 15.815 5.855 -0.080 1.00 0.00 H new ATOM 0 HA LEU A 31 14.349 3.576 0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.787 6.399 1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.086 5.985 1.684 1.00 0.00 H new ATOM 0 HG LEU A 31 15.317 4.653 3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.199 5.654 5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.761 6.894 4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.037 6.458 4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.510 3.427 4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.322 4.145 3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.571 3.040 2.654 1.00 0.00 H new ATOM 421 N LEU A 32 12.151 3.734 -0.182 1.00 0.00 N ATOM 422 CA LEU A 32 10.958 3.692 -1.020 1.00 0.00 C ATOM 423 C LEU A 32 9.759 4.288 -0.289 1.00 0.00 C ATOM 424 O LEU A 32 9.718 4.313 0.941 1.00 0.00 O ATOM 425 CB LEU A 32 10.652 2.251 -1.434 1.00 0.00 C ATOM 426 CG LEU A 32 11.531 1.671 -2.542 1.00 0.00 C ATOM 427 CD1 LEU A 32 12.934 1.398 -2.023 1.00 0.00 C ATOM 428 CD2 LEU A 32 10.912 0.399 -3.104 1.00 0.00 C ATOM 0 H LEU A 32 12.193 3.004 0.529 1.00 0.00 H new ATOM 0 HA LEU A 32 11.149 4.287 -1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.743 1.614 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.613 2.200 -1.758 1.00 0.00 H new ATOM 0 HG LEU A 32 11.599 2.404 -3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.545 0.985 -2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.379 2.328 -1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.885 0.684 -1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.552 0.000 -3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.813 -0.340 -2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.928 0.624 -3.515 1.00 0.00 H new ATOM 440 N PHE A 33 8.783 4.765 -1.055 1.00 0.00 N ATOM 441 CA PHE A 33 7.582 5.360 -0.480 1.00 0.00 C ATOM 442 C PHE A 33 6.338 4.580 -0.893 1.00 0.00 C ATOM 443 O PHE A 33 6.119 4.317 -2.076 1.00 0.00 O ATOM 444 CB PHE A 33 7.451 6.820 -0.919 1.00 0.00 C ATOM 445 CG PHE A 33 8.725 7.603 -0.785 1.00 0.00 C ATOM 446 CD1 PHE A 33 9.418 7.625 0.414 1.00 0.00 C ATOM 447 CD2 PHE A 33 9.230 8.319 -1.859 1.00 0.00 C ATOM 448 CE1 PHE A 33 10.592 8.344 0.541 1.00 0.00 C ATOM 449 CE2 PHE A 33 10.403 9.040 -1.739 1.00 0.00 C ATOM 450 CZ PHE A 33 11.084 9.053 -0.537 1.00 0.00 C ATOM 0 H PHE A 33 8.800 4.751 -2.075 1.00 0.00 H new ATOM 0 HA PHE A 33 7.671 5.320 0.606 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.123 6.851 -1.958 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.674 7.301 -0.325 1.00 0.00 H new ATOM 0 HD1 PHE A 33 9.036 7.073 1.261 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.701 8.313 -2.800 1.00 0.00 H new ATOM 0 HE1 PHE A 33 11.123 8.351 1.481 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.787 9.593 -2.584 1.00 0.00 H new ATOM 0 HZ PHE A 33 12.000 9.617 -0.441 1.00 0.00 H new ATOM 460 N CYS A 34 5.525 4.211 0.091 1.00 0.00 N ATOM 461 CA CYS A 34 4.303 3.459 -0.167 1.00 0.00 C ATOM 462 C CYS A 34 3.164 4.393 -0.568 1.00 0.00 C ATOM 463 O CYS A 34 3.004 5.473 0.002 1.00 0.00 O ATOM 464 CB CYS A 34 3.904 2.653 1.071 1.00 0.00 C ATOM 465 SG CYS A 34 2.268 1.860 0.947 1.00 0.00 S ATOM 0 H CYS A 34 5.691 4.421 1.075 1.00 0.00 H new ATOM 0 HA CYS A 34 4.495 2.773 -0.992 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.656 1.884 1.249 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.911 3.313 1.939 1.00 0.00 H new ATOM 0 HG CYS A 34 2.261 0.767 1.650 1.00 0.00 H new ATOM 470 N ASP A 35 2.377 3.969 -1.550 1.00 0.00 N ATOM 471 CA ASP A 35 1.252 4.766 -2.027 1.00 0.00 C ATOM 472 C ASP A 35 -0.025 4.408 -1.273 1.00 0.00 C ATOM 473 O ASP A 35 -1.083 4.229 -1.874 1.00 0.00 O ATOM 474 CB ASP A 35 1.050 4.554 -3.528 1.00 0.00 C ATOM 475 CG ASP A 35 0.016 5.497 -4.111 1.00 0.00 C ATOM 476 OD1 ASP A 35 0.272 6.719 -4.132 1.00 0.00 O ATOM 477 OD2 ASP A 35 -1.049 5.013 -4.547 1.00 0.00 O ATOM 0 H ASP A 35 2.497 3.078 -2.032 1.00 0.00 H new ATOM 0 HA ASP A 35 1.478 5.816 -1.844 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.000 4.697 -4.043 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.741 3.524 -3.708 1.00 0.00 H new ATOM 482 N GLY A 36 0.083 4.305 0.049 1.00 0.00 N ATOM 483 CA GLY A 36 -1.070 3.968 0.863 1.00 0.00 C ATOM 484 C GLY A 36 -0.906 4.397 2.307 1.00 0.00 C ATOM 485 O GLY A 36 -1.857 4.858 2.938 1.00 0.00 O ATOM 0 H GLY A 36 0.948 4.449 0.570 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.957 4.443 0.445 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.236 2.891 0.824 1.00 0.00 H new ATOM 489 N CYS A 37 0.305 4.242 2.834 1.00 0.00 N ATOM 490 CA CYS A 37 0.591 4.615 4.214 1.00 0.00 C ATOM 491 C CYS A 37 1.768 5.584 4.282 1.00 0.00 C ATOM 492 O CYS A 37 2.133 6.058 5.359 1.00 0.00 O ATOM 493 CB CYS A 37 0.895 3.368 5.048 1.00 0.00 C ATOM 494 SG CYS A 37 2.401 2.480 4.537 1.00 0.00 S ATOM 0 H CYS A 37 1.103 3.861 2.326 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.290 5.111 4.621 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.995 3.659 6.094 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.046 2.687 4.986 1.00 0.00 H new ATOM 0 HG CYS A 37 2.359 2.255 3.257 1.00 0.00 H new ATOM 499 N ASP A 38 2.355 5.876 3.127 1.00 0.00 N ATOM 500 CA ASP A 38 3.489 6.790 3.055 1.00 0.00 C ATOM 501 C ASP A 38 4.576 6.386 4.046 1.00 0.00 C ATOM 502 O ASP A 38 4.977 7.177 4.900 1.00 0.00 O ATOM 503 CB ASP A 38 3.034 8.223 3.334 1.00 0.00 C ATOM 504 CG ASP A 38 3.999 9.254 2.782 1.00 0.00 C ATOM 505 OD1 ASP A 38 5.224 9.027 2.868 1.00 0.00 O ATOM 506 OD2 ASP A 38 3.529 10.289 2.264 1.00 0.00 O ATOM 0 H ASP A 38 2.064 5.493 2.227 1.00 0.00 H new ATOM 0 HA ASP A 38 3.903 6.738 2.048 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.049 8.380 2.895 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.931 8.365 4.410 1.00 0.00 H new ATOM 511 N ASP A 39 5.049 5.150 3.926 1.00 0.00 N ATOM 512 CA ASP A 39 6.091 4.641 4.811 1.00 0.00 C ATOM 513 C ASP A 39 7.446 4.640 4.111 1.00 0.00 C ATOM 514 O ASP A 39 7.558 5.040 2.953 1.00 0.00 O ATOM 515 CB ASP A 39 5.744 3.227 5.280 1.00 0.00 C ATOM 516 CG ASP A 39 4.909 3.226 6.545 1.00 0.00 C ATOM 517 OD1 ASP A 39 4.127 4.180 6.742 1.00 0.00 O ATOM 518 OD2 ASP A 39 5.037 2.271 7.339 1.00 0.00 O ATOM 0 H ASP A 39 4.728 4.482 3.225 1.00 0.00 H new ATOM 0 HA ASP A 39 6.151 5.299 5.678 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.202 2.708 4.490 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.664 2.669 5.455 1.00 0.00 H new ATOM 523 N ASN A 40 8.474 4.189 4.823 1.00 0.00 N ATOM 524 CA ASN A 40 9.822 4.137 4.270 1.00 0.00 C ATOM 525 C ASN A 40 10.385 2.721 4.341 1.00 0.00 C ATOM 526 O ASN A 40 10.477 2.131 5.417 1.00 0.00 O ATOM 527 CB ASN A 40 10.741 5.101 5.023 1.00 0.00 C ATOM 528 CG ASN A 40 10.016 6.352 5.483 1.00 0.00 C ATOM 529 OD1 ASN A 40 10.000 6.672 6.671 1.00 0.00 O ATOM 530 ND2 ASN A 40 9.411 7.065 4.540 1.00 0.00 N ATOM 0 H ASN A 40 8.399 3.855 5.784 1.00 0.00 H new ATOM 0 HA ASN A 40 9.771 4.436 3.223 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.166 4.592 5.888 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.573 5.383 4.378 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.907 7.916 4.789 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.451 6.762 3.567 1.00 0.00 H new ATOM 537 N TYR A 41 10.762 2.182 3.186 1.00 0.00 N ATOM 538 CA TYR A 41 11.314 0.835 3.116 1.00 0.00 C ATOM 539 C TYR A 41 12.484 0.776 2.138 1.00 0.00 C ATOM 540 O TYR A 41 12.398 1.280 1.018 1.00 0.00 O ATOM 541 CB TYR A 41 10.232 -0.161 2.695 1.00 0.00 C ATOM 542 CG TYR A 41 9.194 -0.416 3.764 1.00 0.00 C ATOM 543 CD1 TYR A 41 9.383 -1.407 4.721 1.00 0.00 C ATOM 544 CD2 TYR A 41 8.025 0.332 3.818 1.00 0.00 C ATOM 545 CE1 TYR A 41 8.437 -1.644 5.699 1.00 0.00 C ATOM 546 CE2 TYR A 41 7.075 0.103 4.794 1.00 0.00 C ATOM 547 CZ TYR A 41 7.285 -0.886 5.732 1.00 0.00 C ATOM 548 OH TYR A 41 6.340 -1.118 6.705 1.00 0.00 O ATOM 0 H TYR A 41 10.695 2.658 2.286 1.00 0.00 H new ATOM 0 HA TYR A 41 11.679 0.567 4.108 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.735 0.212 1.800 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.705 -1.106 2.427 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.285 -2.001 4.699 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.856 1.106 3.084 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.598 -2.419 6.434 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.172 0.695 4.823 1.00 0.00 H new ATOM 0 HH TYR A 41 5.590 -0.498 6.588 1.00 0.00 H new ATOM 558 N HIS A 42 13.577 0.156 2.571 1.00 0.00 N ATOM 559 CA HIS A 42 14.766 0.029 1.735 1.00 0.00 C ATOM 560 C HIS A 42 14.588 -1.082 0.704 1.00 0.00 C ATOM 561 O HIS A 42 13.541 -1.727 0.647 1.00 0.00 O ATOM 562 CB HIS A 42 15.995 -0.253 2.598 1.00 0.00 C ATOM 563 CG HIS A 42 16.343 0.868 3.529 1.00 0.00 C ATOM 564 ND1 HIS A 42 16.979 0.673 4.737 1.00 0.00 N ATOM 565 CD2 HIS A 42 16.140 2.202 3.423 1.00 0.00 C ATOM 566 CE1 HIS A 42 17.152 1.839 5.334 1.00 0.00 C ATOM 567 NE2 HIS A 42 16.651 2.783 4.558 1.00 0.00 N ATOM 0 H HIS A 42 13.664 -0.266 3.495 1.00 0.00 H new ATOM 0 HA HIS A 42 14.911 0.972 1.207 1.00 0.00 H new ATOM 0 HB2 HIS A 42 15.820 -1.157 3.181 1.00 0.00 H new ATOM 0 HB3 HIS A 42 16.847 -0.453 1.948 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.665 2.714 2.599 1.00 0.00 H new ATOM 0 HE1 HIS A 42 17.623 1.994 6.293 1.00 0.00 H new ATOM 0 HE2 HIS A 42 16.645 3.781 4.767 1.00 0.00 H new ATOM 575 N ILE A 43 15.617 -1.299 -0.108 1.00 0.00 N ATOM 576 CA ILE A 43 15.574 -2.331 -1.136 1.00 0.00 C ATOM 577 C ILE A 43 16.217 -3.624 -0.644 1.00 0.00 C ATOM 578 O ILE A 43 16.023 -4.689 -1.231 1.00 0.00 O ATOM 579 CB ILE A 43 16.286 -1.874 -2.423 1.00 0.00 C ATOM 580 CG1 ILE A 43 17.758 -1.569 -2.137 1.00 0.00 C ATOM 581 CG2 ILE A 43 15.591 -0.655 -3.009 1.00 0.00 C ATOM 582 CD1 ILE A 43 18.598 -1.418 -3.385 1.00 0.00 C ATOM 0 H ILE A 43 16.491 -0.774 -0.074 1.00 0.00 H new ATOM 0 HA ILE A 43 14.522 -2.512 -1.357 1.00 0.00 H new ATOM 0 HB ILE A 43 16.237 -2.681 -3.154 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.823 -0.652 -1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.174 -2.369 -1.524 1.00 0.00 H new ATOM 0 HG21 ILE A 43 16.106 -0.344 -3.918 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.557 -0.904 -3.245 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.611 0.159 -2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.629 -1.203 -3.106 1.00 0.00 H new ATOM 0 HD12 ILE A 43 18.563 -2.343 -3.961 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.208 -0.599 -3.989 1.00 0.00 H new ATOM 594 N PHE A 44 16.982 -3.523 0.438 1.00 0.00 N ATOM 595 CA PHE A 44 17.653 -4.684 1.010 1.00 0.00 C ATOM 596 C PHE A 44 17.045 -5.053 2.361 1.00 0.00 C ATOM 597 O PHE A 44 17.627 -5.822 3.127 1.00 0.00 O ATOM 598 CB PHE A 44 19.149 -4.408 1.170 1.00 0.00 C ATOM 599 CG PHE A 44 19.449 -3.081 1.807 1.00 0.00 C ATOM 600 CD1 PHE A 44 19.557 -1.936 1.035 1.00 0.00 C ATOM 601 CD2 PHE A 44 19.622 -2.979 3.178 1.00 0.00 C ATOM 602 CE1 PHE A 44 19.834 -0.714 1.619 1.00 0.00 C ATOM 603 CE2 PHE A 44 19.899 -1.760 3.767 1.00 0.00 C ATOM 604 CZ PHE A 44 20.004 -0.626 2.987 1.00 0.00 C ATOM 0 H PHE A 44 17.153 -2.649 0.936 1.00 0.00 H new ATOM 0 HA PHE A 44 17.517 -5.523 0.328 1.00 0.00 H new ATOM 0 HB2 PHE A 44 19.594 -5.200 1.772 1.00 0.00 H new ATOM 0 HB3 PHE A 44 19.624 -4.447 0.190 1.00 0.00 H new ATOM 0 HD1 PHE A 44 19.423 -1.999 -0.035 1.00 0.00 H new ATOM 0 HD2 PHE A 44 19.539 -3.863 3.794 1.00 0.00 H new ATOM 0 HE1 PHE A 44 19.917 0.171 1.006 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.033 -1.695 4.837 1.00 0.00 H new ATOM 0 HZ PHE A 44 20.219 0.328 3.445 1.00 0.00 H new ATOM 614 N CYS A 45 15.872 -4.498 2.646 1.00 0.00 N ATOM 615 CA CYS A 45 15.185 -4.766 3.903 1.00 0.00 C ATOM 616 C CYS A 45 13.914 -5.578 3.666 1.00 0.00 C ATOM 617 O CYS A 45 13.432 -6.271 4.563 1.00 0.00 O ATOM 618 CB CYS A 45 14.839 -3.453 4.609 1.00 0.00 C ATOM 619 SG CYS A 45 16.237 -2.699 5.501 1.00 0.00 S ATOM 0 H CYS A 45 15.377 -3.860 2.023 1.00 0.00 H new ATOM 0 HA CYS A 45 15.854 -5.347 4.537 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.467 -2.743 3.871 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.027 -3.634 5.314 1.00 0.00 H new ATOM 0 HG CYS A 45 16.320 -1.439 5.192 1.00 0.00 H new ATOM 624 N LEU A 46 13.378 -5.487 2.454 1.00 0.00 N ATOM 625 CA LEU A 46 12.164 -6.213 2.098 1.00 0.00 C ATOM 626 C LEU A 46 12.434 -7.712 2.005 1.00 0.00 C ATOM 627 O LEU A 46 13.499 -8.188 2.400 1.00 0.00 O ATOM 628 CB LEU A 46 11.610 -5.699 0.769 1.00 0.00 C ATOM 629 CG LEU A 46 11.553 -4.180 0.608 1.00 0.00 C ATOM 630 CD1 LEU A 46 11.371 -3.804 -0.855 1.00 0.00 C ATOM 631 CD2 LEU A 46 10.431 -3.596 1.454 1.00 0.00 C ATOM 0 H LEU A 46 13.765 -4.918 1.701 1.00 0.00 H new ATOM 0 HA LEU A 46 11.425 -6.044 2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.219 -6.107 -0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.603 -6.096 0.640 1.00 0.00 H new ATOM 0 HG LEU A 46 12.498 -3.762 0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.333 -2.719 -0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.208 -4.190 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.441 -4.234 -1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.405 -2.514 1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.478 -4.021 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.605 -3.834 2.503 1.00 0.00 H new ATOM 643 N LEU A 47 11.463 -8.450 1.478 1.00 0.00 N ATOM 644 CA LEU A 47 11.596 -9.895 1.330 1.00 0.00 C ATOM 645 C LEU A 47 10.457 -10.464 0.490 1.00 0.00 C ATOM 646 O LEU A 47 9.319 -10.583 0.944 1.00 0.00 O ATOM 647 CB LEU A 47 11.619 -10.569 2.703 1.00 0.00 C ATOM 648 CG LEU A 47 12.598 -11.732 2.865 1.00 0.00 C ATOM 649 CD1 LEU A 47 13.090 -11.820 4.301 1.00 0.00 C ATOM 650 CD2 LEU A 47 11.947 -13.040 2.441 1.00 0.00 C ATOM 0 H LEU A 47 10.576 -8.072 1.146 1.00 0.00 H new ATOM 0 HA LEU A 47 12.537 -10.097 0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.857 -9.814 3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.615 -10.932 2.924 1.00 0.00 H new ATOM 0 HG LEU A 47 13.457 -11.551 2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.786 -12.654 4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.596 -10.893 4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.242 -11.977 4.967 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.658 -13.857 2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.070 -13.227 3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.646 -12.974 1.396 1.00 0.00 H new ATOM 662 N PRO A 48 10.768 -10.825 -0.763 1.00 0.00 N ATOM 663 CA PRO A 48 12.119 -10.687 -1.315 1.00 0.00 C ATOM 664 C PRO A 48 12.510 -9.229 -1.533 1.00 0.00 C ATOM 665 O PRO A 48 11.673 -8.375 -1.826 1.00 0.00 O ATOM 666 CB PRO A 48 12.033 -11.424 -2.653 1.00 0.00 C ATOM 667 CG PRO A 48 10.594 -11.357 -3.031 1.00 0.00 C ATOM 668 CD PRO A 48 9.825 -11.396 -1.739 1.00 0.00 C ATOM 0 HA PRO A 48 12.877 -11.086 -0.641 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.663 -10.951 -3.407 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.370 -12.456 -2.559 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.378 -10.444 -3.586 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.320 -12.193 -3.674 1.00 0.00 H new ATOM 0 HD2 PRO A 48 8.907 -10.812 -1.800 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.538 -12.413 -1.473 1.00 0.00 H new ATOM 676 N PRO A 49 13.811 -8.936 -1.389 1.00 0.00 N ATOM 677 CA PRO A 49 14.341 -7.581 -1.567 1.00 0.00 C ATOM 678 C PRO A 49 14.301 -7.130 -3.023 1.00 0.00 C ATOM 679 O PRO A 49 14.043 -7.929 -3.924 1.00 0.00 O ATOM 680 CB PRO A 49 15.789 -7.701 -1.084 1.00 0.00 C ATOM 681 CG PRO A 49 16.135 -9.137 -1.276 1.00 0.00 C ATOM 682 CD PRO A 49 14.864 -9.905 -1.040 1.00 0.00 C ATOM 0 HA PRO A 49 13.756 -6.839 -1.024 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.453 -7.054 -1.658 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.883 -7.408 -0.038 1.00 0.00 H new ATOM 0 HG2 PRO A 49 16.518 -9.315 -2.281 1.00 0.00 H new ATOM 0 HG3 PRO A 49 16.913 -9.447 -0.579 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.812 -10.797 -1.664 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.780 -10.235 -0.004 1.00 0.00 H new ATOM 690 N LEU A 50 14.558 -5.846 -3.247 1.00 0.00 N ATOM 691 CA LEU A 50 14.552 -5.288 -4.595 1.00 0.00 C ATOM 692 C LEU A 50 15.954 -4.857 -5.012 1.00 0.00 C ATOM 693 O LEU A 50 16.835 -4.633 -4.181 1.00 0.00 O ATOM 694 CB LEU A 50 13.596 -4.097 -4.670 1.00 0.00 C ATOM 695 CG LEU A 50 12.115 -4.435 -4.851 1.00 0.00 C ATOM 696 CD1 LEU A 50 11.261 -3.185 -4.706 1.00 0.00 C ATOM 697 CD2 LEU A 50 11.879 -5.091 -6.203 1.00 0.00 C ATOM 0 H LEU A 50 14.773 -5.172 -2.513 1.00 0.00 H new ATOM 0 HA LEU A 50 14.211 -6.063 -5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.705 -3.511 -3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.906 -3.459 -5.498 1.00 0.00 H new ATOM 0 HG LEU A 50 11.825 -5.140 -4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.211 -3.445 -4.838 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.407 -2.757 -3.714 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.552 -2.456 -5.462 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.820 -5.324 -6.314 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.186 -4.410 -6.997 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.462 -6.010 -6.268 1.00 0.00 H new ATOM 709 N PRO A 51 16.168 -4.734 -6.330 1.00 0.00 N ATOM 710 CA PRO A 51 17.461 -4.326 -6.888 1.00 0.00 C ATOM 711 C PRO A 51 17.779 -2.862 -6.601 1.00 0.00 C ATOM 712 O PRO A 51 18.920 -2.514 -6.299 1.00 0.00 O ATOM 713 CB PRO A 51 17.285 -4.550 -8.392 1.00 0.00 C ATOM 714 CG PRO A 51 15.817 -4.447 -8.621 1.00 0.00 C ATOM 715 CD PRO A 51 15.165 -4.985 -7.378 1.00 0.00 C ATOM 0 HA PRO A 51 18.288 -4.888 -6.454 1.00 0.00 H new ATOM 0 HB2 PRO A 51 17.829 -3.803 -8.970 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.665 -5.526 -8.694 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.522 -3.413 -8.800 1.00 0.00 H new ATOM 0 HG3 PRO A 51 15.518 -5.021 -9.498 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.225 -4.476 -7.165 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.938 -6.047 -7.471 1.00 0.00 H new ATOM 723 N GLU A 52 16.763 -2.010 -6.698 1.00 0.00 N ATOM 724 CA GLU A 52 16.937 -0.584 -6.449 1.00 0.00 C ATOM 725 C GLU A 52 15.593 0.139 -6.467 1.00 0.00 C ATOM 726 O GLU A 52 14.546 -0.480 -6.657 1.00 0.00 O ATOM 727 CB GLU A 52 17.872 0.029 -7.493 1.00 0.00 C ATOM 728 CG GLU A 52 17.431 -0.220 -8.926 1.00 0.00 C ATOM 729 CD GLU A 52 18.272 0.536 -9.935 1.00 0.00 C ATOM 730 OE1 GLU A 52 18.406 1.770 -9.789 1.00 0.00 O ATOM 731 OE2 GLU A 52 18.797 -0.103 -10.870 1.00 0.00 O ATOM 0 H GLU A 52 15.812 -2.282 -6.947 1.00 0.00 H new ATOM 0 HA GLU A 52 17.381 -0.466 -5.461 1.00 0.00 H new ATOM 0 HB2 GLU A 52 17.937 1.104 -7.323 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.874 -0.377 -7.354 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.487 -1.287 -9.139 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.387 0.073 -9.037 1.00 0.00 H new ATOM 738 N ILE A 53 15.632 1.452 -6.266 1.00 0.00 N ATOM 739 CA ILE A 53 14.418 2.259 -6.260 1.00 0.00 C ATOM 740 C ILE A 53 13.581 2.002 -7.508 1.00 0.00 C ATOM 741 O ILE A 53 14.079 2.014 -8.634 1.00 0.00 O ATOM 742 CB ILE A 53 14.743 3.762 -6.174 1.00 0.00 C ATOM 743 CG1 ILE A 53 15.171 4.133 -4.752 1.00 0.00 C ATOM 744 CG2 ILE A 53 13.540 4.589 -6.603 1.00 0.00 C ATOM 745 CD1 ILE A 53 14.047 4.055 -3.743 1.00 0.00 C ATOM 0 H ILE A 53 16.490 1.979 -6.105 1.00 0.00 H new ATOM 0 HA ILE A 53 13.849 1.967 -5.378 1.00 0.00 H new ATOM 0 HB ILE A 53 15.569 3.979 -6.851 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.976 3.469 -4.439 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.576 5.145 -4.755 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.785 5.649 -6.537 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.276 4.341 -7.631 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.696 4.370 -5.949 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.423 4.331 -2.758 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.250 4.740 -4.032 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.657 3.038 -3.711 1.00 0.00 H new ATOM 757 N PRO A 54 12.276 1.766 -7.306 1.00 0.00 N ATOM 758 CA PRO A 54 11.340 1.504 -8.404 1.00 0.00 C ATOM 759 C PRO A 54 11.084 2.742 -9.256 1.00 0.00 C ATOM 760 O PRO A 54 11.519 3.842 -8.915 1.00 0.00 O ATOM 761 CB PRO A 54 10.059 1.077 -7.683 1.00 0.00 C ATOM 762 CG PRO A 54 10.151 1.712 -6.339 1.00 0.00 C ATOM 763 CD PRO A 54 11.613 1.737 -5.992 1.00 0.00 C ATOM 0 HA PRO A 54 11.725 0.757 -9.098 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.172 1.413 -8.220 1.00 0.00 H new ATOM 0 HB3 PRO A 54 9.992 -0.008 -7.604 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.736 2.720 -6.354 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.584 1.145 -5.600 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.869 2.611 -5.394 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.904 0.859 -5.415 1.00 0.00 H new ATOM 771 N ARG A 55 10.376 2.556 -10.365 1.00 0.00 N ATOM 772 CA ARG A 55 10.063 3.659 -11.266 1.00 0.00 C ATOM 773 C ARG A 55 8.684 4.235 -10.962 1.00 0.00 C ATOM 774 O ARG A 55 8.564 5.314 -10.383 1.00 0.00 O ATOM 775 CB ARG A 55 10.122 3.189 -12.721 1.00 0.00 C ATOM 776 CG ARG A 55 11.525 2.843 -13.193 1.00 0.00 C ATOM 777 CD ARG A 55 11.497 2.061 -14.496 1.00 0.00 C ATOM 778 NE ARG A 55 12.774 2.126 -15.201 1.00 0.00 N ATOM 779 CZ ARG A 55 13.839 1.408 -14.861 1.00 0.00 C ATOM 780 NH1 ARG A 55 13.779 0.575 -13.831 1.00 0.00 N ATOM 781 NH2 ARG A 55 14.966 1.522 -15.552 1.00 0.00 N ATOM 0 H ARG A 55 10.008 1.652 -10.661 1.00 0.00 H new ATOM 0 HA ARG A 55 10.806 4.442 -11.113 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.483 2.314 -12.837 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.714 3.970 -13.363 1.00 0.00 H new ATOM 0 HG2 ARG A 55 12.100 3.759 -13.329 1.00 0.00 H new ATOM 0 HG3 ARG A 55 12.034 2.258 -12.427 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.250 1.020 -14.289 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.708 2.454 -15.138 1.00 0.00 H new ATOM 0 HE ARG A 55 12.853 2.757 -15.998 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.914 0.484 -13.298 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.598 0.025 -13.572 1.00 0.00 H new ATOM 0 HH21 ARG A 55 15.015 2.161 -16.345 1.00 0.00 H new ATOM 0 HH22 ARG A 55 15.783 0.970 -15.290 1.00 0.00 H new ATOM 795 N GLY A 56 7.643 3.507 -11.357 1.00 0.00 N ATOM 796 CA GLY A 56 6.286 3.962 -11.118 1.00 0.00 C ATOM 797 C GLY A 56 5.929 3.972 -9.645 1.00 0.00 C ATOM 798 O GLY A 56 6.779 4.236 -8.795 1.00 0.00 O ATOM 0 H GLY A 56 7.716 2.611 -11.838 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.166 4.966 -11.525 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.590 3.316 -11.653 1.00 0.00 H new ATOM 802 N ILE A 57 4.667 3.687 -9.343 1.00 0.00 N ATOM 803 CA ILE A 57 4.199 3.665 -7.962 1.00 0.00 C ATOM 804 C ILE A 57 4.581 2.360 -7.273 1.00 0.00 C ATOM 805 O ILE A 57 4.349 1.274 -7.805 1.00 0.00 O ATOM 806 CB ILE A 57 2.672 3.847 -7.883 1.00 0.00 C ATOM 807 CG1 ILE A 57 2.263 5.190 -8.491 1.00 0.00 C ATOM 808 CG2 ILE A 57 2.201 3.748 -6.439 1.00 0.00 C ATOM 809 CD1 ILE A 57 0.766 5.371 -8.607 1.00 0.00 C ATOM 0 H ILE A 57 3.950 3.468 -10.035 1.00 0.00 H new ATOM 0 HA ILE A 57 4.683 4.497 -7.451 1.00 0.00 H new ATOM 0 HB ILE A 57 2.197 3.051 -8.456 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.672 5.995 -7.881 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.710 5.282 -9.481 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.120 3.879 -6.399 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.463 2.769 -6.037 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.682 4.525 -5.845 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.550 6.345 -9.046 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.353 4.587 -9.242 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.314 5.311 -7.617 1.00 0.00 H new ATOM 821 N TRP A 58 5.166 2.474 -6.086 1.00 0.00 N ATOM 822 CA TRP A 58 5.579 1.302 -5.322 1.00 0.00 C ATOM 823 C TRP A 58 4.824 1.220 -4.000 1.00 0.00 C ATOM 824 O TRP A 58 4.603 2.234 -3.337 1.00 0.00 O ATOM 825 CB TRP A 58 7.085 1.343 -5.061 1.00 0.00 C ATOM 826 CG TRP A 58 7.572 0.209 -4.210 1.00 0.00 C ATOM 827 CD1 TRP A 58 8.082 -0.981 -4.643 1.00 0.00 C ATOM 828 CD2 TRP A 58 7.591 0.159 -2.779 1.00 0.00 C ATOM 829 NE1 TRP A 58 8.417 -1.768 -3.568 1.00 0.00 N ATOM 830 CE2 TRP A 58 8.127 -1.091 -2.413 1.00 0.00 C ATOM 831 CE3 TRP A 58 7.210 1.049 -1.771 1.00 0.00 C ATOM 832 CZ2 TRP A 58 8.288 -1.471 -1.083 1.00 0.00 C ATOM 833 CZ3 TRP A 58 7.371 0.671 -0.452 1.00 0.00 C ATOM 834 CH2 TRP A 58 7.907 -0.580 -0.117 1.00 0.00 C ATOM 0 H TRP A 58 5.365 3.365 -5.632 1.00 0.00 H new ATOM 0 HA TRP A 58 5.343 0.415 -5.909 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.612 1.324 -6.015 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.337 2.286 -4.576 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.204 -1.262 -5.679 1.00 0.00 H new ATOM 0 HE1 TRP A 58 8.817 -2.705 -3.621 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.797 2.016 -2.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.699 -2.435 -0.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.079 1.351 0.334 1.00 0.00 H new ATOM 0 HH2 TRP A 58 8.021 -0.846 0.924 1.00 0.00 H new ATOM 845 N ARG A 59 4.430 0.008 -3.623 1.00 0.00 N ATOM 846 CA ARG A 59 3.698 -0.204 -2.380 1.00 0.00 C ATOM 847 C ARG A 59 4.487 -1.102 -1.431 1.00 0.00 C ATOM 848 O ARG A 59 5.388 -1.829 -1.852 1.00 0.00 O ATOM 849 CB ARG A 59 2.331 -0.827 -2.668 1.00 0.00 C ATOM 850 CG ARG A 59 1.173 0.143 -2.502 1.00 0.00 C ATOM 851 CD ARG A 59 -0.075 -0.561 -1.991 1.00 0.00 C ATOM 852 NE ARG A 59 -1.181 -0.471 -2.941 1.00 0.00 N ATOM 853 CZ ARG A 59 -1.303 -1.259 -4.003 1.00 0.00 C ATOM 854 NH1 ARG A 59 -0.392 -2.191 -4.250 1.00 0.00 N ATOM 855 NH2 ARG A 59 -2.338 -1.117 -4.821 1.00 0.00 N ATOM 0 H ARG A 59 4.605 -0.841 -4.160 1.00 0.00 H new ATOM 0 HA ARG A 59 3.555 0.765 -1.902 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.325 -1.215 -3.686 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.181 -1.677 -2.002 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.456 0.934 -1.807 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.957 0.621 -3.458 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.153 -1.609 -1.798 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.376 -0.120 -1.041 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.899 0.236 -2.780 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.405 -2.304 -3.623 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.488 -2.795 -5.066 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.041 -0.402 -4.635 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.431 -1.723 -5.636 1.00 0.00 H new ATOM 869 N CYS A 60 4.144 -1.045 -0.148 1.00 0.00 N ATOM 870 CA CYS A 60 4.820 -1.851 0.861 1.00 0.00 C ATOM 871 C CYS A 60 4.055 -3.145 1.126 1.00 0.00 C ATOM 872 O CYS A 60 2.860 -3.255 0.853 1.00 0.00 O ATOM 873 CB CYS A 60 4.969 -1.058 2.161 1.00 0.00 C ATOM 874 SG CYS A 60 3.445 -0.967 3.155 1.00 0.00 S ATOM 0 H CYS A 60 3.401 -0.449 0.217 1.00 0.00 H new ATOM 0 HA CYS A 60 5.810 -2.106 0.483 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.756 -1.512 2.763 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.295 -0.046 1.921 1.00 0.00 H new ATOM 0 HG CYS A 60 3.248 0.260 3.537 1.00 0.00 H new ATOM 879 N PRO A 61 4.759 -4.147 1.672 1.00 0.00 N ATOM 880 CA PRO A 61 4.167 -5.450 1.988 1.00 0.00 C ATOM 881 C PRO A 61 3.186 -5.375 3.152 1.00 0.00 C ATOM 882 O PRO A 61 2.289 -6.210 3.278 1.00 0.00 O ATOM 883 CB PRO A 61 5.378 -6.308 2.363 1.00 0.00 C ATOM 884 CG PRO A 61 6.401 -5.334 2.835 1.00 0.00 C ATOM 885 CD PRO A 61 6.188 -4.085 2.025 1.00 0.00 C ATOM 0 HA PRO A 61 3.588 -5.847 1.154 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.127 -7.028 3.142 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.739 -6.878 1.507 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.286 -5.133 3.900 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.408 -5.725 2.691 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.421 -3.189 2.600 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.821 -4.069 1.138 1.00 0.00 H new ATOM 893 N LYS A 62 3.360 -4.369 4.003 1.00 0.00 N ATOM 894 CA LYS A 62 2.489 -4.183 5.157 1.00 0.00 C ATOM 895 C LYS A 62 1.099 -3.731 4.722 1.00 0.00 C ATOM 896 O LYS A 62 0.133 -3.846 5.477 1.00 0.00 O ATOM 897 CB LYS A 62 3.094 -3.156 6.118 1.00 0.00 C ATOM 898 CG LYS A 62 3.750 -3.778 7.338 1.00 0.00 C ATOM 899 CD LYS A 62 2.754 -3.973 8.469 1.00 0.00 C ATOM 900 CE LYS A 62 2.454 -2.662 9.180 1.00 0.00 C ATOM 901 NZ LYS A 62 3.664 -2.102 9.843 1.00 0.00 N ATOM 0 H LYS A 62 4.097 -3.670 3.915 1.00 0.00 H new ATOM 0 HA LYS A 62 2.396 -5.141 5.669 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.833 -2.561 5.582 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.311 -2.472 6.446 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.187 -4.739 7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.567 -3.141 7.677 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.830 -4.393 8.073 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.151 -4.694 9.184 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.066 -1.940 8.462 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.674 -2.822 9.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.375 -1.450 10.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.227 -2.876 10.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.237 -1.588 9.143 1.00 0.00 H new ATOM 915 N CYS A 63 1.004 -3.217 3.500 1.00 0.00 N ATOM 916 CA CYS A 63 -0.268 -2.749 2.964 1.00 0.00 C ATOM 917 C CYS A 63 -0.845 -3.757 1.974 1.00 0.00 C ATOM 918 O CYS A 63 -2.046 -4.028 1.978 1.00 0.00 O ATOM 919 CB CYS A 63 -0.089 -1.392 2.281 1.00 0.00 C ATOM 920 SG CYS A 63 -0.051 0.020 3.431 1.00 0.00 S ATOM 0 H CYS A 63 1.793 -3.114 2.862 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.966 -2.641 3.794 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.838 -1.405 1.708 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.902 -1.245 1.569 1.00 0.00 H new ATOM 0 HG CYS A 63 1.174 0.432 3.572 1.00 0.00 H new ATOM 925 N ILE A 64 0.019 -4.308 1.128 1.00 0.00 N ATOM 926 CA ILE A 64 -0.405 -5.286 0.134 1.00 0.00 C ATOM 927 C ILE A 64 -0.871 -6.577 0.797 1.00 0.00 C ATOM 928 O ILE A 64 -1.909 -7.133 0.437 1.00 0.00 O ATOM 929 CB ILE A 64 0.730 -5.611 -0.855 1.00 0.00 C ATOM 930 CG1 ILE A 64 1.206 -4.337 -1.557 1.00 0.00 C ATOM 931 CG2 ILE A 64 0.267 -6.642 -1.874 1.00 0.00 C ATOM 932 CD1 ILE A 64 2.582 -4.464 -2.172 1.00 0.00 C ATOM 0 H ILE A 64 1.016 -4.094 1.111 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.236 -4.841 -0.413 1.00 0.00 H new ATOM 0 HB ILE A 64 1.567 -6.031 -0.298 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.491 -4.073 -2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.212 -3.517 -0.839 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.081 -6.861 -2.566 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.027 -7.556 -1.359 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.585 -6.248 -2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.854 -3.524 -2.652 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.308 -4.698 -1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.576 -5.262 -2.914 1.00 0.00 H new ATOM 944 N LEU A 65 -0.098 -7.049 1.769 1.00 0.00 N ATOM 945 CA LEU A 65 -0.433 -8.275 2.486 1.00 0.00 C ATOM 946 C LEU A 65 -1.713 -8.100 3.297 1.00 0.00 C ATOM 947 O LEU A 65 -2.334 -9.077 3.714 1.00 0.00 O ATOM 948 CB LEU A 65 0.718 -8.679 3.409 1.00 0.00 C ATOM 949 CG LEU A 65 2.035 -9.041 2.721 1.00 0.00 C ATOM 950 CD1 LEU A 65 3.158 -9.147 3.741 1.00 0.00 C ATOM 951 CD2 LEU A 65 1.892 -10.342 1.945 1.00 0.00 C ATOM 0 H LEU A 65 0.765 -6.602 2.079 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.596 -9.063 1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.907 -7.859 4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.396 -9.533 4.006 1.00 0.00 H new ATOM 0 HG LEU A 65 2.285 -8.247 2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.087 -9.405 3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.277 -8.191 4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.916 -9.920 4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.839 -10.584 1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.618 -11.145 2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.116 -10.230 1.187 1.00 0.00 H new ATOM 963 N ALA A 66 -2.102 -6.848 3.516 1.00 0.00 N ATOM 964 CA ALA A 66 -3.310 -6.544 4.273 1.00 0.00 C ATOM 965 C ALA A 66 -4.516 -6.405 3.350 1.00 0.00 C ATOM 966 O ALA A 66 -5.589 -6.937 3.632 1.00 0.00 O ATOM 967 CB ALA A 66 -3.117 -5.274 5.088 1.00 0.00 C ATOM 0 H ALA A 66 -1.598 -6.028 3.180 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.501 -7.374 4.954 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.027 -5.059 5.648 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.287 -5.409 5.782 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.898 -4.442 4.419 1.00 0.00 H new ATOM 973 N GLU A 67 -4.331 -5.686 2.247 1.00 0.00 N ATOM 974 CA GLU A 67 -5.406 -5.476 1.284 1.00 0.00 C ATOM 975 C GLU A 67 -5.678 -6.749 0.486 1.00 0.00 C ATOM 976 O GLU A 67 -6.818 -7.028 0.113 1.00 0.00 O ATOM 977 CB GLU A 67 -5.053 -4.331 0.333 1.00 0.00 C ATOM 978 CG GLU A 67 -5.328 -2.953 0.911 1.00 0.00 C ATOM 979 CD GLU A 67 -6.787 -2.752 1.270 1.00 0.00 C ATOM 980 OE1 GLU A 67 -7.655 -3.234 0.513 1.00 0.00 O ATOM 981 OE2 GLU A 67 -7.061 -2.112 2.307 1.00 0.00 O ATOM 0 H GLU A 67 -3.448 -5.240 1.998 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.308 -5.214 1.837 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.998 -4.401 0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.621 -4.448 -0.590 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.715 -2.807 1.801 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.027 -2.194 0.189 1.00 0.00 H new ATOM 988 N CYS A 68 -4.624 -7.514 0.229 1.00 0.00 N ATOM 989 CA CYS A 68 -4.747 -8.757 -0.526 1.00 0.00 C ATOM 990 C CYS A 68 -5.829 -9.650 0.071 1.00 0.00 C ATOM 991 O CYS A 68 -5.982 -9.729 1.290 1.00 0.00 O ATOM 992 CB CYS A 68 -3.410 -9.499 -0.548 1.00 0.00 C ATOM 993 SG CYS A 68 -3.422 -11.012 -1.539 1.00 0.00 S ATOM 0 H CYS A 68 -3.675 -7.296 0.532 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.031 -8.506 -1.548 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -2.642 -8.830 -0.935 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.129 -9.749 0.475 1.00 0.00 H new ATOM 0 HG CYS A 68 -2.247 -11.567 -1.498 1.00 0.00 H new