USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=13 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 149:sc= 0.928 USER MOD Set 1.2: A 37 CYS SG : rot -50:sc= 0.335 USER MOD Set 1.3: A 60 CYS SG : rot -133:sc= 0.313 USER MOD Set 1.4: A 63 CYS SG : rot 103:sc= 0.226 USER MOD Set 2.1: A 19 CYS SG : rot 148:sc= 0.392 USER MOD Set 2.2: A 22 CYS SG : rot -55:sc= -0.0184 USER MOD Set 2.3: A 42 HIS : no HD1:sc= -3.12 X(o=-2.8,f=-3.2) USER MOD Set 2.4: A 45 CYS SG : rot 134:sc= -0.102 USER MOD Single : A 16 SER OG : rot 37:sc= 0.0983 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0335 K(o=-0.034,f=-1.6!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0205 USER MOD Single : A 30 LYS NZ :NH3+ 130:sc= 0.0428 (180deg=-0.786) USER MOD Single : A 40 ASN : amide:sc= -1.67 K(o=-1.7,f=-2.5) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 16 10.873 13.538 8.610 1.00 0.00 N ATOM 184 CA SER A 16 11.954 12.715 8.079 1.00 0.00 C ATOM 185 C SER A 16 11.433 11.349 7.643 1.00 0.00 C ATOM 186 O SER A 16 10.263 11.025 7.845 1.00 0.00 O ATOM 187 CB SER A 16 13.054 12.543 9.128 1.00 0.00 C ATOM 188 OG SER A 16 13.543 13.799 9.566 1.00 0.00 O ATOM 0 HA SER A 16 12.369 13.221 7.207 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.665 11.984 9.979 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.872 11.957 8.709 1.00 0.00 H new ATOM 0 HG SER A 16 12.803 14.441 9.610 1.00 0.00 H new ATOM 194 N TYR A 17 12.311 10.552 7.043 1.00 0.00 N ATOM 195 CA TYR A 17 11.940 9.222 6.576 1.00 0.00 C ATOM 196 C TYR A 17 12.812 8.153 7.227 1.00 0.00 C ATOM 197 O TYR A 17 14.013 8.072 6.966 1.00 0.00 O ATOM 198 CB TYR A 17 12.066 9.141 5.053 1.00 0.00 C ATOM 199 CG TYR A 17 11.465 10.326 4.332 1.00 0.00 C ATOM 200 CD1 TYR A 17 10.114 10.625 4.452 1.00 0.00 C ATOM 201 CD2 TYR A 17 12.249 11.146 3.529 1.00 0.00 C ATOM 202 CE1 TYR A 17 9.560 11.707 3.794 1.00 0.00 C ATOM 203 CE2 TYR A 17 11.704 12.230 2.869 1.00 0.00 C ATOM 204 CZ TYR A 17 10.360 12.506 3.004 1.00 0.00 C ATOM 205 OH TYR A 17 9.813 13.585 2.347 1.00 0.00 O ATOM 0 H TYR A 17 13.284 10.804 6.869 1.00 0.00 H new ATOM 0 HA TYR A 17 10.903 9.041 6.859 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.120 9.061 4.788 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.580 8.230 4.705 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.485 10.001 5.070 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.302 10.932 3.419 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.507 11.925 3.898 1.00 0.00 H new ATOM 0 HE2 TYR A 17 12.328 12.858 2.250 1.00 0.00 H new ATOM 0 HH TYR A 17 10.511 14.044 1.835 1.00 0.00 H new ATOM 215 N ILE A 18 12.199 7.335 8.075 1.00 0.00 N ATOM 216 CA ILE A 18 12.917 6.270 8.763 1.00 0.00 C ATOM 217 C ILE A 18 12.408 4.897 8.335 1.00 0.00 C ATOM 218 O ILE A 18 11.203 4.645 8.326 1.00 0.00 O ATOM 219 CB ILE A 18 12.786 6.399 10.293 1.00 0.00 C ATOM 220 CG1 ILE A 18 13.083 7.834 10.732 1.00 0.00 C ATOM 221 CG2 ILE A 18 13.722 5.421 10.988 1.00 0.00 C ATOM 222 CD1 ILE A 18 14.465 8.311 10.345 1.00 0.00 C ATOM 0 H ILE A 18 11.206 7.389 8.302 1.00 0.00 H new ATOM 0 HA ILE A 18 13.967 6.368 8.486 1.00 0.00 H new ATOM 0 HB ILE A 18 11.762 6.157 10.578 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.341 8.501 10.292 1.00 0.00 H new ATOM 0 HG13 ILE A 18 12.973 7.904 11.814 1.00 0.00 H new ATOM 0 HG21 ILE A 18 13.619 5.524 12.068 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.468 4.403 10.694 1.00 0.00 H new ATOM 0 HG23 ILE A 18 14.751 5.635 10.700 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.606 9.336 10.688 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.214 7.668 10.806 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.573 8.273 9.261 1.00 0.00 H new ATOM 234 N CYS A 19 13.335 4.013 7.982 1.00 0.00 N ATOM 235 CA CYS A 19 12.982 2.665 7.553 1.00 0.00 C ATOM 236 C CYS A 19 12.103 1.976 8.594 1.00 0.00 C ATOM 237 O CYS A 19 12.157 2.302 9.779 1.00 0.00 O ATOM 238 CB CYS A 19 14.246 1.838 7.309 1.00 0.00 C ATOM 239 SG CYS A 19 13.951 0.274 6.422 1.00 0.00 S ATOM 0 H CYS A 19 14.337 4.206 7.985 1.00 0.00 H new ATOM 0 HA CYS A 19 12.420 2.742 6.622 1.00 0.00 H new ATOM 0 HB2 CYS A 19 14.956 2.438 6.740 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.713 1.617 8.268 1.00 0.00 H new ATOM 0 HG CYS A 19 14.989 -0.014 5.694 1.00 0.00 H new ATOM 244 N GLN A 20 11.297 1.022 8.141 1.00 0.00 N ATOM 245 CA GLN A 20 10.407 0.287 9.032 1.00 0.00 C ATOM 246 C GLN A 20 10.900 -1.141 9.239 1.00 0.00 C ATOM 247 O GLN A 20 10.128 -2.030 9.596 1.00 0.00 O ATOM 248 CB GLN A 20 8.985 0.271 8.468 1.00 0.00 C ATOM 249 CG GLN A 20 8.158 1.483 8.867 1.00 0.00 C ATOM 250 CD GLN A 20 7.607 1.375 10.275 1.00 0.00 C ATOM 251 OE1 GLN A 20 7.671 0.316 10.900 1.00 0.00 O ATOM 252 NE2 GLN A 20 7.061 2.474 10.783 1.00 0.00 N ATOM 0 H GLN A 20 11.242 0.740 7.162 1.00 0.00 H new ATOM 0 HA GLN A 20 10.402 0.794 9.997 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.035 0.218 7.380 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.478 -0.632 8.808 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.773 2.379 8.789 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.332 1.601 8.166 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.029 3.330 10.230 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.674 2.462 11.726 1.00 0.00 H new ATOM 261 N VAL A 21 12.193 -1.353 9.012 1.00 0.00 N ATOM 262 CA VAL A 21 12.790 -2.673 9.175 1.00 0.00 C ATOM 263 C VAL A 21 14.076 -2.598 9.990 1.00 0.00 C ATOM 264 O VAL A 21 14.325 -3.438 10.856 1.00 0.00 O ATOM 265 CB VAL A 21 13.097 -3.322 7.812 1.00 0.00 C ATOM 266 CG1 VAL A 21 13.745 -4.685 8.002 1.00 0.00 C ATOM 267 CG2 VAL A 21 11.829 -3.437 6.979 1.00 0.00 C ATOM 0 H VAL A 21 12.846 -0.628 8.715 1.00 0.00 H new ATOM 0 HA VAL A 21 12.062 -3.286 9.706 1.00 0.00 H new ATOM 0 HB VAL A 21 13.800 -2.684 7.276 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.954 -5.127 7.028 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.677 -4.571 8.556 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.069 -5.335 8.558 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.064 -3.898 6.020 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.101 -4.052 7.508 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.412 -2.444 6.812 1.00 0.00 H new ATOM 277 N CYS A 22 14.891 -1.587 9.708 1.00 0.00 N ATOM 278 CA CYS A 22 16.152 -1.401 10.415 1.00 0.00 C ATOM 279 C CYS A 22 16.140 -0.103 11.217 1.00 0.00 C ATOM 280 O CYS A 22 16.957 0.091 12.117 1.00 0.00 O ATOM 281 CB CYS A 22 17.319 -1.390 9.425 1.00 0.00 C ATOM 282 SG CYS A 22 17.271 -0.012 8.234 1.00 0.00 S ATOM 0 H CYS A 22 14.700 -0.884 8.994 1.00 0.00 H new ATOM 0 HA CYS A 22 16.278 -2.234 11.107 1.00 0.00 H new ATOM 0 HB2 CYS A 22 18.254 -1.342 9.983 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.324 -2.331 8.875 1.00 0.00 H new ATOM 0 HG CYS A 22 16.131 -0.018 7.609 1.00 0.00 H new ATOM 287 N SER A 23 15.207 0.784 10.884 1.00 0.00 N ATOM 288 CA SER A 23 15.089 2.065 11.570 1.00 0.00 C ATOM 289 C SER A 23 16.335 2.917 11.347 1.00 0.00 C ATOM 290 O SER A 23 17.060 3.235 12.289 1.00 0.00 O ATOM 291 CB SER A 23 14.869 1.846 13.068 1.00 0.00 C ATOM 292 OG SER A 23 14.100 0.680 13.306 1.00 0.00 O ATOM 0 H SER A 23 14.522 0.638 10.143 1.00 0.00 H new ATOM 0 HA SER A 23 14.230 2.593 11.157 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.832 1.759 13.571 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.363 2.712 13.495 1.00 0.00 H new ATOM 0 HG SER A 23 13.975 0.562 14.271 1.00 0.00 H new ATOM 298 N ARG A 24 16.576 3.283 10.092 1.00 0.00 N ATOM 299 CA ARG A 24 17.734 4.097 9.743 1.00 0.00 C ATOM 300 C ARG A 24 17.305 5.373 9.025 1.00 0.00 C ATOM 301 O ARG A 24 16.117 5.606 8.807 1.00 0.00 O ATOM 302 CB ARG A 24 18.697 3.301 8.860 1.00 0.00 C ATOM 303 CG ARG A 24 19.674 2.441 9.645 1.00 0.00 C ATOM 304 CD ARG A 24 20.727 3.290 10.341 1.00 0.00 C ATOM 305 NE ARG A 24 21.666 2.476 11.109 1.00 0.00 N ATOM 306 CZ ARG A 24 22.666 2.982 11.822 1.00 0.00 C ATOM 307 NH1 ARG A 24 22.855 4.294 11.865 1.00 0.00 N ATOM 308 NH2 ARG A 24 23.478 2.177 12.494 1.00 0.00 N ATOM 0 H ARG A 24 15.985 3.029 9.301 1.00 0.00 H new ATOM 0 HA ARG A 24 18.243 4.374 10.666 1.00 0.00 H new ATOM 0 HB2 ARG A 24 18.120 2.662 8.192 1.00 0.00 H new ATOM 0 HB3 ARG A 24 19.258 3.994 8.233 1.00 0.00 H new ATOM 0 HG2 ARG A 24 19.131 1.854 10.385 1.00 0.00 H new ATOM 0 HG3 ARG A 24 20.161 1.734 8.973 1.00 0.00 H new ATOM 0 HD2 ARG A 24 21.274 3.870 9.598 1.00 0.00 H new ATOM 0 HD3 ARG A 24 20.237 4.002 11.005 1.00 0.00 H new ATOM 0 HE ARG A 24 21.547 1.463 11.097 1.00 0.00 H new ATOM 0 HH11 ARG A 24 22.232 4.916 11.350 1.00 0.00 H new ATOM 0 HH12 ARG A 24 23.623 4.681 12.413 1.00 0.00 H new ATOM 0 HH21 ARG A 24 23.335 1.168 12.464 1.00 0.00 H new ATOM 0 HH22 ARG A 24 24.245 2.567 13.041 1.00 0.00 H new ATOM 322 N GLY A 25 18.283 6.197 8.659 1.00 0.00 N ATOM 323 CA GLY A 25 17.986 7.440 7.970 1.00 0.00 C ATOM 324 C GLY A 25 18.984 7.745 6.870 1.00 0.00 C ATOM 325 O GLY A 25 18.609 8.221 5.798 1.00 0.00 O ATOM 0 H GLY A 25 19.274 6.026 8.827 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.985 7.385 7.543 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.981 8.259 8.690 1.00 0.00 H new ATOM 329 N ASP A 26 20.256 7.473 7.136 1.00 0.00 N ATOM 330 CA ASP A 26 21.311 7.723 6.160 1.00 0.00 C ATOM 331 C ASP A 26 21.063 6.934 4.878 1.00 0.00 C ATOM 332 O ASP A 26 21.572 7.286 3.815 1.00 0.00 O ATOM 333 CB ASP A 26 22.675 7.352 6.746 1.00 0.00 C ATOM 334 CG ASP A 26 23.401 8.550 7.325 1.00 0.00 C ATOM 335 OD1 ASP A 26 23.928 9.363 6.537 1.00 0.00 O ATOM 336 OD2 ASP A 26 23.442 8.675 8.567 1.00 0.00 O ATOM 0 H ASP A 26 20.582 7.080 8.019 1.00 0.00 H new ATOM 0 HA ASP A 26 21.305 8.786 5.918 1.00 0.00 H new ATOM 0 HB2 ASP A 26 22.541 6.601 7.525 1.00 0.00 H new ATOM 0 HB3 ASP A 26 23.290 6.899 5.969 1.00 0.00 H new ATOM 341 N GLU A 27 20.279 5.867 4.988 1.00 0.00 N ATOM 342 CA GLU A 27 19.965 5.028 3.837 1.00 0.00 C ATOM 343 C GLU A 27 18.774 5.587 3.065 1.00 0.00 C ATOM 344 O GLU A 27 18.353 5.020 2.057 1.00 0.00 O ATOM 345 CB GLU A 27 19.669 3.596 4.287 1.00 0.00 C ATOM 346 CG GLU A 27 20.916 2.750 4.486 1.00 0.00 C ATOM 347 CD GLU A 27 21.643 2.468 3.186 1.00 0.00 C ATOM 348 OE1 GLU A 27 21.216 3.003 2.140 1.00 0.00 O ATOM 349 OE2 GLU A 27 22.637 1.714 3.213 1.00 0.00 O ATOM 0 H GLU A 27 19.850 5.563 5.862 1.00 0.00 H new ATOM 0 HA GLU A 27 20.833 5.021 3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.108 3.626 5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.029 3.116 3.546 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.591 3.261 5.172 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.639 1.806 4.955 1.00 0.00 H new ATOM 356 N ASP A 28 18.235 6.702 3.546 1.00 0.00 N ATOM 357 CA ASP A 28 17.092 7.339 2.902 1.00 0.00 C ATOM 358 C ASP A 28 17.336 7.508 1.406 1.00 0.00 C ATOM 359 O ASP A 28 16.396 7.535 0.612 1.00 0.00 O ATOM 360 CB ASP A 28 16.811 8.699 3.542 1.00 0.00 C ATOM 361 CG ASP A 28 17.936 9.690 3.314 1.00 0.00 C ATOM 362 OD1 ASP A 28 19.110 9.304 3.490 1.00 0.00 O ATOM 363 OD2 ASP A 28 17.641 10.851 2.960 1.00 0.00 O ATOM 0 H ASP A 28 18.571 7.184 4.380 1.00 0.00 H new ATOM 0 HA ASP A 28 16.223 6.695 3.040 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.885 9.105 3.134 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.657 8.568 4.613 1.00 0.00 H new ATOM 368 N ASP A 29 18.605 7.622 1.028 1.00 0.00 N ATOM 369 CA ASP A 29 18.973 7.788 -0.373 1.00 0.00 C ATOM 370 C ASP A 29 18.317 6.717 -1.239 1.00 0.00 C ATOM 371 O ASP A 29 18.048 6.937 -2.420 1.00 0.00 O ATOM 372 CB ASP A 29 20.493 7.730 -0.533 1.00 0.00 C ATOM 373 CG ASP A 29 21.130 9.105 -0.521 1.00 0.00 C ATOM 374 OD1 ASP A 29 21.094 9.766 0.539 1.00 0.00 O ATOM 375 OD2 ASP A 29 21.664 9.522 -1.570 1.00 0.00 O ATOM 0 H ASP A 29 19.396 7.602 1.672 1.00 0.00 H new ATOM 0 HA ASP A 29 18.617 8.764 -0.703 1.00 0.00 H new ATOM 0 HB2 ASP A 29 20.917 7.129 0.272 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.738 7.228 -1.469 1.00 0.00 H new ATOM 380 N LYS A 30 18.062 5.557 -0.644 1.00 0.00 N ATOM 381 CA LYS A 30 17.436 4.451 -1.359 1.00 0.00 C ATOM 382 C LYS A 30 16.163 3.997 -0.652 1.00 0.00 C ATOM 383 O LYS A 30 15.813 2.816 -0.679 1.00 0.00 O ATOM 384 CB LYS A 30 18.412 3.278 -1.479 1.00 0.00 C ATOM 385 CG LYS A 30 19.543 3.526 -2.461 1.00 0.00 C ATOM 386 CD LYS A 30 20.528 2.369 -2.482 1.00 0.00 C ATOM 387 CE LYS A 30 20.818 1.908 -3.902 1.00 0.00 C ATOM 388 NZ LYS A 30 21.207 3.043 -4.784 1.00 0.00 N ATOM 0 H LYS A 30 18.279 5.358 0.333 1.00 0.00 H new ATOM 0 HA LYS A 30 17.171 4.799 -2.357 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.835 3.066 -0.497 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.862 2.389 -1.788 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.133 3.674 -3.460 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.065 4.444 -2.192 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.457 2.673 -2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.126 1.537 -1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.618 1.168 -3.888 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.936 1.415 -4.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.082 2.804 -5.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.447 3.226 -5.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.364 3.894 -4.206 1.00 0.00 H new ATOM 402 N LEU A 31 15.473 4.941 -0.022 1.00 0.00 N ATOM 403 CA LEU A 31 14.236 4.638 0.690 1.00 0.00 C ATOM 404 C LEU A 31 13.034 4.728 -0.244 1.00 0.00 C ATOM 405 O LEU A 31 12.897 5.685 -1.007 1.00 0.00 O ATOM 406 CB LEU A 31 14.055 5.597 1.868 1.00 0.00 C ATOM 407 CG LEU A 31 14.284 5.004 3.258 1.00 0.00 C ATOM 408 CD1 LEU A 31 14.060 6.057 4.332 1.00 0.00 C ATOM 409 CD2 LEU A 31 13.373 3.807 3.484 1.00 0.00 C ATOM 0 H LEU A 31 15.749 5.922 0.011 1.00 0.00 H new ATOM 0 HA LEU A 31 14.303 3.618 1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.738 6.436 1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.043 6.001 1.830 1.00 0.00 H new ATOM 0 HG LEU A 31 15.318 4.665 3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.228 5.616 5.315 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.755 6.883 4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.037 6.428 4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.550 3.398 4.479 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.332 4.121 3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.583 3.043 2.735 1.00 0.00 H new ATOM 421 N LEU A 32 12.163 3.727 -0.176 1.00 0.00 N ATOM 422 CA LEU A 32 10.969 3.694 -1.014 1.00 0.00 C ATOM 423 C LEU A 32 9.774 4.298 -0.284 1.00 0.00 C ATOM 424 O LEU A 32 9.739 4.335 0.946 1.00 0.00 O ATOM 425 CB LEU A 32 10.653 2.256 -1.430 1.00 0.00 C ATOM 426 CG LEU A 32 11.536 1.666 -2.530 1.00 0.00 C ATOM 427 CD1 LEU A 32 12.936 1.393 -2.002 1.00 0.00 C ATOM 428 CD2 LEU A 32 10.916 0.393 -3.086 1.00 0.00 C ATOM 0 H LEU A 32 12.261 2.928 0.450 1.00 0.00 H new ATOM 0 HA LEU A 32 11.165 4.289 -1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.730 1.619 -0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.616 2.215 -1.763 1.00 0.00 H new ATOM 0 HG LEU A 32 11.611 2.393 -3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.550 0.973 -2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.381 2.325 -1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.881 0.685 -1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.558 -0.013 -3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.811 -0.340 -2.286 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.935 0.618 -3.503 1.00 0.00 H new ATOM 440 N PHE A 33 8.796 4.770 -1.050 1.00 0.00 N ATOM 441 CA PHE A 33 7.598 5.371 -0.475 1.00 0.00 C ATOM 442 C PHE A 33 6.350 4.592 -0.881 1.00 0.00 C ATOM 443 O PHE A 33 6.136 4.310 -2.060 1.00 0.00 O ATOM 444 CB PHE A 33 7.469 6.829 -0.922 1.00 0.00 C ATOM 445 CG PHE A 33 8.750 7.605 -0.810 1.00 0.00 C ATOM 446 CD1 PHE A 33 9.497 7.571 0.356 1.00 0.00 C ATOM 447 CD2 PHE A 33 9.207 8.370 -1.871 1.00 0.00 C ATOM 448 CE1 PHE A 33 10.677 8.284 0.462 1.00 0.00 C ATOM 449 CE2 PHE A 33 10.386 9.084 -1.771 1.00 0.00 C ATOM 450 CZ PHE A 33 11.121 9.042 -0.603 1.00 0.00 C ATOM 0 H PHE A 33 8.809 4.748 -2.070 1.00 0.00 H new ATOM 0 HA PHE A 33 7.690 5.337 0.611 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.127 6.855 -1.957 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.703 7.319 -0.321 1.00 0.00 H new ATOM 0 HD1 PHE A 33 9.154 6.980 1.192 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.635 8.409 -2.787 1.00 0.00 H new ATOM 0 HE1 PHE A 33 11.250 8.248 1.377 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.732 9.675 -2.606 1.00 0.00 H new ATOM 0 HZ PHE A 33 12.042 9.601 -0.523 1.00 0.00 H new ATOM 460 N CYS A 34 5.530 4.245 0.106 1.00 0.00 N ATOM 461 CA CYS A 34 4.304 3.497 -0.145 1.00 0.00 C ATOM 462 C CYS A 34 3.165 4.435 -0.533 1.00 0.00 C ATOM 463 O CYS A 34 3.007 5.510 0.046 1.00 0.00 O ATOM 464 CB CYS A 34 3.913 2.687 1.092 1.00 0.00 C ATOM 465 SG CYS A 34 2.274 1.900 0.979 1.00 0.00 S ATOM 0 H CYS A 34 5.693 4.470 1.087 1.00 0.00 H new ATOM 0 HA CYS A 34 4.488 2.814 -0.974 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.664 1.915 1.260 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.930 3.343 1.963 1.00 0.00 H new ATOM 0 HG CYS A 34 2.277 0.791 1.658 1.00 0.00 H new ATOM 470 N ASP A 35 2.373 4.021 -1.517 1.00 0.00 N ATOM 471 CA ASP A 35 1.248 4.823 -1.982 1.00 0.00 C ATOM 472 C ASP A 35 -0.027 4.461 -1.225 1.00 0.00 C ATOM 473 O ASP A 35 -1.087 4.284 -1.823 1.00 0.00 O ATOM 474 CB ASP A 35 1.038 4.624 -3.484 1.00 0.00 C ATOM 475 CG ASP A 35 0.002 5.572 -4.054 1.00 0.00 C ATOM 476 OD1 ASP A 35 -0.095 6.713 -3.557 1.00 0.00 O ATOM 477 OD2 ASP A 35 -0.713 5.173 -4.998 1.00 0.00 O ATOM 0 H ASP A 35 2.490 3.134 -2.008 1.00 0.00 H new ATOM 0 HA ASP A 35 1.478 5.871 -1.791 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.985 4.771 -4.003 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.728 3.596 -3.672 1.00 0.00 H new ATOM 482 N GLY A 36 0.086 4.351 0.095 1.00 0.00 N ATOM 483 CA GLY A 36 -1.064 4.009 0.912 1.00 0.00 C ATOM 484 C GLY A 36 -0.895 4.432 2.358 1.00 0.00 C ATOM 485 O GLY A 36 -1.845 4.888 2.994 1.00 0.00 O ATOM 0 H GLY A 36 0.953 4.493 0.613 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.953 4.485 0.499 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.229 2.932 0.869 1.00 0.00 H new ATOM 489 N CYS A 37 0.318 4.280 2.879 1.00 0.00 N ATOM 490 CA CYS A 37 0.609 4.647 4.259 1.00 0.00 C ATOM 491 C CYS A 37 1.797 5.602 4.329 1.00 0.00 C ATOM 492 O CYS A 37 2.184 6.050 5.409 1.00 0.00 O ATOM 493 CB CYS A 37 0.897 3.396 5.092 1.00 0.00 C ATOM 494 SG CYS A 37 2.388 2.486 4.576 1.00 0.00 S ATOM 0 H CYS A 37 1.116 3.905 2.366 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.266 5.153 4.666 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.005 3.685 6.137 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.038 2.728 5.033 1.00 0.00 H new ATOM 0 HG CYS A 37 2.346 2.276 3.294 1.00 0.00 H new ATOM 499 N ASP A 38 2.371 5.910 3.171 1.00 0.00 N ATOM 500 CA ASP A 38 3.513 6.813 3.099 1.00 0.00 C ATOM 501 C ASP A 38 4.602 6.389 4.080 1.00 0.00 C ATOM 502 O ASP A 38 5.020 7.171 4.935 1.00 0.00 O ATOM 503 CB ASP A 38 3.075 8.248 3.393 1.00 0.00 C ATOM 504 CG ASP A 38 1.683 8.547 2.873 1.00 0.00 C ATOM 505 OD1 ASP A 38 1.369 8.124 1.740 1.00 0.00 O ATOM 506 OD2 ASP A 38 0.906 9.201 3.599 1.00 0.00 O ATOM 0 H ASP A 38 2.063 5.547 2.269 1.00 0.00 H new ATOM 0 HA ASP A 38 3.920 6.766 2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.102 8.420 4.469 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.785 8.941 2.942 1.00 0.00 H new ATOM 511 N ASP A 39 5.057 5.148 3.952 1.00 0.00 N ATOM 512 CA ASP A 39 6.098 4.621 4.826 1.00 0.00 C ATOM 513 C ASP A 39 7.454 4.632 4.127 1.00 0.00 C ATOM 514 O ASP A 39 7.565 5.052 2.976 1.00 0.00 O ATOM 515 CB ASP A 39 5.750 3.198 5.268 1.00 0.00 C ATOM 516 CG ASP A 39 4.940 3.171 6.549 1.00 0.00 C ATOM 517 OD1 ASP A 39 4.223 4.157 6.818 1.00 0.00 O ATOM 518 OD2 ASP A 39 5.025 2.165 7.284 1.00 0.00 O ATOM 0 H ASP A 39 4.721 4.488 3.251 1.00 0.00 H new ATOM 0 HA ASP A 39 6.158 5.263 5.705 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.189 2.702 4.476 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.669 2.630 5.411 1.00 0.00 H new ATOM 523 N ASN A 40 8.481 4.170 4.831 1.00 0.00 N ATOM 524 CA ASN A 40 9.830 4.129 4.279 1.00 0.00 C ATOM 525 C ASN A 40 10.410 2.720 4.363 1.00 0.00 C ATOM 526 O ASN A 40 10.510 2.143 5.446 1.00 0.00 O ATOM 527 CB ASN A 40 10.738 5.112 5.021 1.00 0.00 C ATOM 528 CG ASN A 40 9.996 6.354 5.475 1.00 0.00 C ATOM 529 OD1 ASN A 40 9.941 6.656 6.667 1.00 0.00 O ATOM 530 ND2 ASN A 40 9.421 7.080 4.524 1.00 0.00 N ATOM 0 H ASN A 40 8.405 3.818 5.785 1.00 0.00 H new ATOM 0 HA ASN A 40 9.775 4.418 3.229 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.175 4.616 5.888 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.563 5.402 4.371 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.908 7.927 4.769 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.493 6.791 3.548 1.00 0.00 H new ATOM 537 N TYR A 41 10.792 2.174 3.215 1.00 0.00 N ATOM 538 CA TYR A 41 11.360 0.832 3.158 1.00 0.00 C ATOM 539 C TYR A 41 12.548 0.784 2.201 1.00 0.00 C ATOM 540 O TYR A 41 12.490 1.318 1.093 1.00 0.00 O ATOM 541 CB TYR A 41 10.297 -0.177 2.721 1.00 0.00 C ATOM 542 CG TYR A 41 9.232 -0.425 3.764 1.00 0.00 C ATOM 543 CD1 TYR A 41 9.398 -1.403 4.737 1.00 0.00 C ATOM 544 CD2 TYR A 41 8.059 0.320 3.778 1.00 0.00 C ATOM 545 CE1 TYR A 41 8.427 -1.633 5.692 1.00 0.00 C ATOM 546 CE2 TYR A 41 7.083 0.098 4.730 1.00 0.00 C ATOM 547 CZ TYR A 41 7.271 -0.880 5.685 1.00 0.00 C ATOM 548 OH TYR A 41 6.302 -1.105 6.635 1.00 0.00 O ATOM 0 H TYR A 41 10.719 2.640 2.310 1.00 0.00 H new ATOM 0 HA TYR A 41 11.710 0.570 4.157 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.822 0.181 1.807 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.783 -1.122 2.479 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.302 -1.994 4.747 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.908 1.086 3.032 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.572 -2.398 6.440 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.178 0.687 4.727 1.00 0.00 H new ATOM 0 HH TYR A 41 5.553 -0.490 6.490 1.00 0.00 H new ATOM 558 N HIS A 42 13.625 0.138 2.638 1.00 0.00 N ATOM 559 CA HIS A 42 14.827 0.017 1.821 1.00 0.00 C ATOM 560 C HIS A 42 14.676 -1.101 0.794 1.00 0.00 C ATOM 561 O HIS A 42 13.656 -1.789 0.757 1.00 0.00 O ATOM 562 CB HIS A 42 16.046 -0.248 2.706 1.00 0.00 C ATOM 563 CG HIS A 42 16.388 0.895 3.612 1.00 0.00 C ATOM 564 ND1 HIS A 42 17.025 0.729 4.824 1.00 0.00 N ATOM 565 CD2 HIS A 42 16.180 2.225 3.476 1.00 0.00 C ATOM 566 CE1 HIS A 42 17.192 1.909 5.395 1.00 0.00 C ATOM 567 NE2 HIS A 42 16.688 2.833 4.597 1.00 0.00 N ATOM 0 H HIS A 42 13.690 -0.309 3.552 1.00 0.00 H new ATOM 0 HA HIS A 42 14.971 0.957 1.289 1.00 0.00 H new ATOM 0 HB2 HIS A 42 15.860 -1.136 3.310 1.00 0.00 H new ATOM 0 HB3 HIS A 42 16.905 -0.468 2.071 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.703 2.717 2.641 1.00 0.00 H new ATOM 0 HE1 HIS A 42 17.661 2.087 6.351 1.00 0.00 H new ATOM 0 HE2 HIS A 42 16.678 3.836 4.783 1.00 0.00 H new ATOM 575 N ILE A 43 15.698 -1.276 -0.037 1.00 0.00 N ATOM 576 CA ILE A 43 15.678 -2.311 -1.064 1.00 0.00 C ATOM 577 C ILE A 43 16.345 -3.589 -0.568 1.00 0.00 C ATOM 578 O ILE A 43 16.209 -4.650 -1.179 1.00 0.00 O ATOM 579 CB ILE A 43 16.385 -1.842 -2.349 1.00 0.00 C ATOM 580 CG1 ILE A 43 17.841 -1.476 -2.053 1.00 0.00 C ATOM 581 CG2 ILE A 43 15.648 -0.657 -2.957 1.00 0.00 C ATOM 582 CD1 ILE A 43 18.685 -1.302 -3.295 1.00 0.00 C ATOM 0 H ILE A 43 16.550 -0.715 -0.019 1.00 0.00 H new ATOM 0 HA ILE A 43 14.631 -2.514 -1.288 1.00 0.00 H new ATOM 0 HB ILE A 43 16.376 -2.660 -3.070 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.865 -0.552 -1.475 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.283 -2.253 -1.429 1.00 0.00 H new ATOM 0 HG21 ILE A 43 16.160 -0.337 -3.865 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.627 -0.950 -3.200 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.629 0.165 -2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.705 -1.044 -3.009 1.00 0.00 H new ATOM 0 HD12 ILE A 43 18.692 -2.232 -3.863 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.268 -0.505 -3.910 1.00 0.00 H new ATOM 594 N PHE A 44 17.065 -3.482 0.544 1.00 0.00 N ATOM 595 CA PHE A 44 17.752 -4.630 1.123 1.00 0.00 C ATOM 596 C PHE A 44 17.159 -4.990 2.482 1.00 0.00 C ATOM 597 O PHE A 44 17.773 -5.712 3.269 1.00 0.00 O ATOM 598 CB PHE A 44 19.247 -4.337 1.268 1.00 0.00 C ATOM 599 CG PHE A 44 19.538 -3.009 1.907 1.00 0.00 C ATOM 600 CD1 PHE A 44 19.658 -1.865 1.135 1.00 0.00 C ATOM 601 CD2 PHE A 44 19.691 -2.905 3.280 1.00 0.00 C ATOM 602 CE1 PHE A 44 19.926 -0.642 1.721 1.00 0.00 C ATOM 603 CE2 PHE A 44 19.959 -1.685 3.872 1.00 0.00 C ATOM 604 CZ PHE A 44 20.076 -0.552 3.091 1.00 0.00 C ATOM 0 H PHE A 44 17.188 -2.612 1.062 1.00 0.00 H new ATOM 0 HA PHE A 44 17.618 -5.478 0.452 1.00 0.00 H new ATOM 0 HB2 PHE A 44 19.708 -5.126 1.862 1.00 0.00 H new ATOM 0 HB3 PHE A 44 19.712 -4.367 0.283 1.00 0.00 H new ATOM 0 HD1 PHE A 44 19.541 -1.929 0.063 1.00 0.00 H new ATOM 0 HD2 PHE A 44 19.600 -3.788 3.895 1.00 0.00 H new ATOM 0 HE1 PHE A 44 20.018 0.242 1.108 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.077 -1.618 4.943 1.00 0.00 H new ATOM 0 HZ PHE A 44 20.284 0.403 3.551 1.00 0.00 H new ATOM 614 N CYS A 45 15.961 -4.482 2.752 1.00 0.00 N ATOM 615 CA CYS A 45 15.284 -4.748 4.015 1.00 0.00 C ATOM 616 C CYS A 45 14.025 -5.582 3.793 1.00 0.00 C ATOM 617 O CYS A 45 13.572 -6.294 4.690 1.00 0.00 O ATOM 618 CB CYS A 45 14.922 -3.434 4.710 1.00 0.00 C ATOM 619 SG CYS A 45 16.307 -2.663 5.608 1.00 0.00 S ATOM 0 H CYS A 45 15.439 -3.883 2.112 1.00 0.00 H new ATOM 0 HA CYS A 45 15.965 -5.313 4.651 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.550 -2.731 3.964 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.107 -3.618 5.410 1.00 0.00 H new ATOM 0 HG CYS A 45 16.355 -1.395 5.326 1.00 0.00 H new ATOM 624 N LEU A 46 13.465 -5.488 2.592 1.00 0.00 N ATOM 625 CA LEU A 46 12.259 -6.233 2.250 1.00 0.00 C ATOM 626 C LEU A 46 12.545 -7.730 2.177 1.00 0.00 C ATOM 627 O LEU A 46 13.618 -8.188 2.575 1.00 0.00 O ATOM 628 CB LEU A 46 11.695 -5.745 0.914 1.00 0.00 C ATOM 629 CG LEU A 46 11.605 -4.229 0.738 1.00 0.00 C ATOM 630 CD1 LEU A 46 11.361 -3.875 -0.721 1.00 0.00 C ATOM 631 CD2 LEU A 46 10.507 -3.653 1.619 1.00 0.00 C ATOM 0 H LEU A 46 13.827 -4.903 1.839 1.00 0.00 H new ATOM 0 HA LEU A 46 11.522 -6.060 3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.314 -6.148 0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.697 -6.165 0.788 1.00 0.00 H new ATOM 0 HG LEU A 46 12.555 -3.790 1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.300 -2.792 -0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.182 -4.253 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.426 -4.326 -1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.458 -2.573 1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.550 -4.098 1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.725 -3.875 2.664 1.00 0.00 H new ATOM 643 N LEU A 47 11.582 -8.487 1.665 1.00 0.00 N ATOM 644 CA LEU A 47 11.731 -9.933 1.538 1.00 0.00 C ATOM 645 C LEU A 47 10.606 -10.524 0.694 1.00 0.00 C ATOM 646 O LEU A 47 9.465 -10.652 1.138 1.00 0.00 O ATOM 647 CB LEU A 47 11.745 -10.588 2.920 1.00 0.00 C ATOM 648 CG LEU A 47 12.734 -11.738 3.108 1.00 0.00 C ATOM 649 CD1 LEU A 47 13.212 -11.802 4.550 1.00 0.00 C ATOM 650 CD2 LEU A 47 12.101 -13.059 2.695 1.00 0.00 C ATOM 0 H LEU A 47 10.689 -8.124 1.331 1.00 0.00 H new ATOM 0 HA LEU A 47 12.679 -10.133 1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.966 -9.820 3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.743 -10.959 3.134 1.00 0.00 H new ATOM 0 HG LEU A 47 13.598 -11.556 2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.915 -12.627 4.664 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.705 -10.866 4.812 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.359 -11.959 5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.820 -13.866 2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.219 -13.247 3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.810 -13.011 1.646 1.00 0.00 H new ATOM 662 N PRO A 48 10.934 -10.896 -0.553 1.00 0.00 N ATOM 663 CA PRO A 48 12.289 -10.748 -1.093 1.00 0.00 C ATOM 664 C PRO A 48 12.664 -9.288 -1.324 1.00 0.00 C ATOM 665 O PRO A 48 11.821 -8.447 -1.636 1.00 0.00 O ATOM 666 CB PRO A 48 12.224 -11.501 -2.424 1.00 0.00 C ATOM 667 CG PRO A 48 10.788 -11.455 -2.816 1.00 0.00 C ATOM 668 CD PRO A 48 10.007 -11.489 -1.531 1.00 0.00 C ATOM 0 HA PRO A 48 13.046 -11.131 -0.408 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.855 -11.029 -3.177 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.572 -12.528 -2.315 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.567 -10.551 -3.383 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.530 -12.302 -3.452 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.083 -10.916 -1.607 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.730 -12.507 -1.256 1.00 0.00 H new ATOM 676 N PRO A 49 13.960 -8.977 -1.169 1.00 0.00 N ATOM 677 CA PRO A 49 14.476 -7.619 -1.357 1.00 0.00 C ATOM 678 C PRO A 49 14.446 -7.185 -2.819 1.00 0.00 C ATOM 679 O PRO A 49 14.377 -8.018 -3.723 1.00 0.00 O ATOM 680 CB PRO A 49 15.920 -7.715 -0.857 1.00 0.00 C ATOM 681 CG PRO A 49 16.285 -9.149 -1.029 1.00 0.00 C ATOM 682 CD PRO A 49 15.020 -9.929 -0.797 1.00 0.00 C ATOM 0 HA PRO A 49 13.876 -6.878 -0.828 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.582 -7.066 -1.431 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.999 -7.409 0.186 1.00 0.00 H new ATOM 0 HG2 PRO A 49 16.680 -9.334 -2.028 1.00 0.00 H new ATOM 0 HG3 PRO A 49 17.060 -9.442 -0.321 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.985 -10.829 -1.410 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.928 -10.247 0.242 1.00 0.00 H new ATOM 690 N LEU A 50 14.500 -5.877 -3.044 1.00 0.00 N ATOM 691 CA LEU A 50 14.480 -5.332 -4.397 1.00 0.00 C ATOM 692 C LEU A 50 15.880 -4.920 -4.839 1.00 0.00 C ATOM 693 O LEU A 50 16.776 -4.701 -4.024 1.00 0.00 O ATOM 694 CB LEU A 50 13.536 -4.130 -4.470 1.00 0.00 C ATOM 695 CG LEU A 50 12.049 -4.452 -4.624 1.00 0.00 C ATOM 696 CD1 LEU A 50 11.213 -3.188 -4.500 1.00 0.00 C ATOM 697 CD2 LEU A 50 11.788 -5.138 -5.958 1.00 0.00 C ATOM 0 H LEU A 50 14.558 -5.174 -2.307 1.00 0.00 H new ATOM 0 HA LEU A 50 14.121 -6.110 -5.070 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.667 -3.536 -3.566 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.841 -3.505 -5.309 1.00 0.00 H new ATOM 0 HG LEU A 50 11.760 -5.134 -3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.158 -3.437 -4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.377 -2.738 -3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.504 -2.482 -5.278 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.725 -5.360 -6.051 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.094 -4.480 -6.771 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.358 -6.066 -6.008 1.00 0.00 H new ATOM 709 N PRO A 51 16.075 -4.811 -6.162 1.00 0.00 N ATOM 710 CA PRO A 51 17.364 -4.422 -6.742 1.00 0.00 C ATOM 711 C PRO A 51 17.704 -2.960 -6.472 1.00 0.00 C ATOM 712 O PRO A 51 18.853 -2.624 -6.186 1.00 0.00 O ATOM 713 CB PRO A 51 17.162 -4.656 -8.242 1.00 0.00 C ATOM 714 CG PRO A 51 15.692 -4.536 -8.449 1.00 0.00 C ATOM 715 CD PRO A 51 15.053 -5.057 -7.192 1.00 0.00 C ATOM 0 HA PRO A 51 18.191 -4.989 -6.315 1.00 0.00 H new ATOM 0 HB2 PRO A 51 17.707 -3.921 -8.834 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.525 -5.639 -8.542 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.407 -3.500 -8.631 1.00 0.00 H new ATOM 0 HG3 PRO A 51 15.372 -5.112 -9.317 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.123 -4.535 -6.968 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.812 -6.117 -7.273 1.00 0.00 H new ATOM 723 N GLU A 52 16.698 -2.096 -6.564 1.00 0.00 N ATOM 724 CA GLU A 52 16.893 -0.670 -6.329 1.00 0.00 C ATOM 725 C GLU A 52 15.563 0.076 -6.379 1.00 0.00 C ATOM 726 O GLU A 52 14.508 -0.527 -6.580 1.00 0.00 O ATOM 727 CB GLU A 52 17.857 -0.087 -7.365 1.00 0.00 C ATOM 728 CG GLU A 52 19.250 0.176 -6.819 1.00 0.00 C ATOM 729 CD GLU A 52 19.867 1.443 -7.379 1.00 0.00 C ATOM 730 OE1 GLU A 52 19.307 2.533 -7.137 1.00 0.00 O ATOM 731 OE2 GLU A 52 20.909 1.344 -8.059 1.00 0.00 O ATOM 0 H GLU A 52 15.741 -2.358 -6.799 1.00 0.00 H new ATOM 0 HA GLU A 52 17.322 -0.547 -5.335 1.00 0.00 H new ATOM 0 HB2 GLU A 52 17.930 -0.774 -8.208 1.00 0.00 H new ATOM 0 HB3 GLU A 52 17.444 0.846 -7.749 1.00 0.00 H new ATOM 0 HG2 GLU A 52 19.202 0.249 -5.733 1.00 0.00 H new ATOM 0 HG3 GLU A 52 19.894 -0.672 -7.053 1.00 0.00 H new ATOM 738 N ILE A 53 15.622 1.391 -6.196 1.00 0.00 N ATOM 739 CA ILE A 53 14.423 2.219 -6.220 1.00 0.00 C ATOM 740 C ILE A 53 13.595 1.951 -7.473 1.00 0.00 C ATOM 741 O ILE A 53 14.106 1.933 -8.593 1.00 0.00 O ATOM 742 CB ILE A 53 14.773 3.718 -6.161 1.00 0.00 C ATOM 743 CG1 ILE A 53 15.193 4.110 -4.743 1.00 0.00 C ATOM 744 CG2 ILE A 53 13.590 4.557 -6.621 1.00 0.00 C ATOM 745 CD1 ILE A 53 14.058 4.068 -3.744 1.00 0.00 C ATOM 0 H ILE A 53 16.487 1.905 -6.030 1.00 0.00 H new ATOM 0 HA ILE A 53 13.839 1.955 -5.338 1.00 0.00 H new ATOM 0 HB ILE A 53 15.610 3.908 -6.833 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.985 3.440 -4.409 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.613 5.116 -4.762 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.853 5.614 -6.574 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.333 4.293 -7.647 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.735 4.367 -5.973 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.428 4.357 -2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.274 4.759 -4.055 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.653 3.057 -3.696 1.00 0.00 H new ATOM 757 N PRO A 54 12.285 1.738 -7.281 1.00 0.00 N ATOM 758 CA PRO A 54 11.357 1.470 -8.384 1.00 0.00 C ATOM 759 C PRO A 54 11.130 2.695 -9.262 1.00 0.00 C ATOM 760 O PRO A 54 11.636 3.780 -8.974 1.00 0.00 O ATOM 761 CB PRO A 54 10.061 1.076 -7.670 1.00 0.00 C ATOM 762 CG PRO A 54 10.148 1.736 -6.337 1.00 0.00 C ATOM 763 CD PRO A 54 11.607 1.745 -5.974 1.00 0.00 C ATOM 0 HA PRO A 54 11.738 0.704 -9.059 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.185 1.415 -8.223 1.00 0.00 H new ATOM 0 HB3 PRO A 54 9.976 -0.006 -7.571 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.749 2.750 -6.377 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.564 1.193 -5.594 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.870 2.627 -5.390 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.878 0.874 -5.377 1.00 0.00 H new ATOM 771 N ARG A 55 10.365 2.516 -10.335 1.00 0.00 N ATOM 772 CA ARG A 55 10.072 3.608 -11.255 1.00 0.00 C ATOM 773 C ARG A 55 8.715 4.232 -10.944 1.00 0.00 C ATOM 774 O ARG A 55 8.636 5.325 -10.385 1.00 0.00 O ATOM 775 CB ARG A 55 10.094 3.105 -12.700 1.00 0.00 C ATOM 776 CG ARG A 55 11.459 2.611 -13.151 1.00 0.00 C ATOM 777 CD ARG A 55 12.495 3.723 -13.113 1.00 0.00 C ATOM 778 NE ARG A 55 13.521 3.552 -14.138 1.00 0.00 N ATOM 779 CZ ARG A 55 14.676 4.207 -14.139 1.00 0.00 C ATOM 780 NH1 ARG A 55 14.952 5.072 -13.172 1.00 0.00 N ATOM 781 NH2 ARG A 55 15.559 3.997 -15.107 1.00 0.00 N ATOM 0 H ARG A 55 9.937 1.625 -10.588 1.00 0.00 H new ATOM 0 HA ARG A 55 10.841 4.371 -11.130 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.371 2.296 -12.806 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.771 3.909 -13.361 1.00 0.00 H new ATOM 0 HG2 ARG A 55 11.780 1.791 -12.509 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.387 2.214 -14.164 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.000 4.684 -13.253 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.965 3.746 -12.130 1.00 0.00 H new ATOM 0 HE ARG A 55 13.340 2.893 -14.895 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.276 5.235 -12.426 1.00 0.00 H new ATOM 0 HH12 ARG A 55 15.840 5.574 -13.175 1.00 0.00 H new ATOM 0 HH21 ARG A 55 15.351 3.332 -15.852 1.00 0.00 H new ATOM 0 HH22 ARG A 55 16.446 4.501 -15.106 1.00 0.00 H new ATOM 795 N GLY A 56 7.647 3.528 -11.310 1.00 0.00 N ATOM 796 CA GLY A 56 6.308 4.029 -11.062 1.00 0.00 C ATOM 797 C GLY A 56 5.946 4.012 -9.590 1.00 0.00 C ATOM 798 O GLY A 56 6.810 4.182 -8.730 1.00 0.00 O ATOM 0 H GLY A 56 7.686 2.620 -11.774 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.229 5.048 -11.441 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.589 3.426 -11.617 1.00 0.00 H new ATOM 802 N ILE A 57 4.665 3.808 -9.300 1.00 0.00 N ATOM 803 CA ILE A 57 4.191 3.770 -7.923 1.00 0.00 C ATOM 804 C ILE A 57 4.570 2.456 -7.247 1.00 0.00 C ATOM 805 O ILE A 57 4.332 1.377 -7.789 1.00 0.00 O ATOM 806 CB ILE A 57 2.663 3.951 -7.848 1.00 0.00 C ATOM 807 CG1 ILE A 57 2.258 5.301 -8.443 1.00 0.00 C ATOM 808 CG2 ILE A 57 2.187 3.836 -6.408 1.00 0.00 C ATOM 809 CD1 ILE A 57 0.761 5.492 -8.544 1.00 0.00 C ATOM 0 H ILE A 57 3.937 3.667 -10.001 1.00 0.00 H new ATOM 0 HA ILE A 57 4.673 4.597 -7.401 1.00 0.00 H new ATOM 0 HB ILE A 57 2.189 3.162 -8.431 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.677 6.099 -7.831 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.696 5.397 -9.436 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.105 3.966 -6.371 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.448 2.853 -6.016 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.666 4.606 -5.804 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.547 6.470 -8.974 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.337 4.715 -9.181 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.318 5.428 -7.550 1.00 0.00 H new ATOM 821 N TRP A 58 5.158 2.556 -6.061 1.00 0.00 N ATOM 822 CA TRP A 58 5.568 1.375 -5.309 1.00 0.00 C ATOM 823 C TRP A 58 4.817 1.284 -3.986 1.00 0.00 C ATOM 824 O TRP A 58 4.608 2.291 -3.309 1.00 0.00 O ATOM 825 CB TRP A 58 7.076 1.407 -5.053 1.00 0.00 C ATOM 826 CG TRP A 58 7.560 0.262 -4.215 1.00 0.00 C ATOM 827 CD1 TRP A 58 8.055 -0.929 -4.663 1.00 0.00 C ATOM 828 CD2 TRP A 58 7.593 0.201 -2.785 1.00 0.00 C ATOM 829 NE1 TRP A 58 8.394 -1.728 -3.597 1.00 0.00 N ATOM 830 CE2 TRP A 58 8.121 -1.057 -2.434 1.00 0.00 C ATOM 831 CE3 TRP A 58 7.231 1.087 -1.767 1.00 0.00 C ATOM 832 CZ2 TRP A 58 8.293 -1.449 -1.109 1.00 0.00 C ATOM 833 CZ3 TRP A 58 7.402 0.696 -0.452 1.00 0.00 C ATOM 834 CH2 TRP A 58 7.929 -0.562 -0.133 1.00 0.00 C ATOM 0 H TRP A 58 5.362 3.442 -5.599 1.00 0.00 H new ATOM 0 HA TRP A 58 5.326 0.494 -5.903 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.600 1.396 -6.009 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.334 2.344 -4.559 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.164 -1.203 -5.702 1.00 0.00 H new ATOM 0 HE1 TRP A 58 8.785 -2.668 -3.661 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.825 2.060 -2.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.699 -2.418 -0.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.124 1.372 0.343 1.00 0.00 H new ATOM 0 HH2 TRP A 58 8.050 -0.837 0.904 1.00 0.00 H new ATOM 845 N ARG A 59 4.412 0.071 -3.623 1.00 0.00 N ATOM 846 CA ARG A 59 3.683 -0.151 -2.380 1.00 0.00 C ATOM 847 C ARG A 59 4.475 -1.053 -1.438 1.00 0.00 C ATOM 848 O ARG A 59 5.377 -1.775 -1.865 1.00 0.00 O ATOM 849 CB ARG A 59 2.316 -0.773 -2.670 1.00 0.00 C ATOM 850 CG ARG A 59 1.155 0.190 -2.480 1.00 0.00 C ATOM 851 CD ARG A 59 -0.083 -0.525 -1.962 1.00 0.00 C ATOM 852 NE ARG A 59 -1.176 -0.497 -2.929 1.00 0.00 N ATOM 853 CZ ARG A 59 -1.987 0.542 -3.092 1.00 0.00 C ATOM 854 NH1 ARG A 59 -1.828 1.633 -2.355 1.00 0.00 N ATOM 855 NH2 ARG A 59 -2.960 0.492 -3.993 1.00 0.00 N ATOM 0 H ARG A 59 4.576 -0.773 -4.172 1.00 0.00 H new ATOM 0 HA ARG A 59 3.540 0.815 -1.895 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.305 -1.144 -3.695 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.173 -1.635 -2.018 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.443 0.975 -1.780 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.926 0.677 -3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.167 -1.560 -1.728 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.409 -0.058 -1.033 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.325 -1.321 -3.512 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.082 1.675 -1.661 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.452 2.430 -2.482 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.086 -0.345 -4.562 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.582 1.291 -4.117 1.00 0.00 H new ATOM 869 N CYS A 60 4.132 -1.006 -0.155 1.00 0.00 N ATOM 870 CA CYS A 60 4.811 -1.818 0.848 1.00 0.00 C ATOM 871 C CYS A 60 4.048 -3.114 1.106 1.00 0.00 C ATOM 872 O CYS A 60 2.852 -3.225 0.834 1.00 0.00 O ATOM 873 CB CYS A 60 4.961 -1.033 2.153 1.00 0.00 C ATOM 874 SG CYS A 60 3.437 -0.947 3.148 1.00 0.00 S ATOM 0 H CYS A 60 3.388 -0.414 0.215 1.00 0.00 H new ATOM 0 HA CYS A 60 5.801 -2.070 0.467 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.748 -1.491 2.752 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.288 -0.020 1.920 1.00 0.00 H new ATOM 0 HG CYS A 60 3.245 0.277 3.542 1.00 0.00 H new ATOM 879 N PRO A 61 4.754 -4.119 1.645 1.00 0.00 N ATOM 880 CA PRO A 61 4.164 -5.425 1.953 1.00 0.00 C ATOM 881 C PRO A 61 3.183 -5.358 3.120 1.00 0.00 C ATOM 882 O PRO A 61 2.289 -6.195 3.242 1.00 0.00 O ATOM 883 CB PRO A 61 5.376 -6.284 2.322 1.00 0.00 C ATOM 884 CG PRO A 61 6.398 -5.311 2.799 1.00 0.00 C ATOM 885 CD PRO A 61 6.182 -4.057 1.997 1.00 0.00 C ATOM 0 HA PRO A 61 3.585 -5.818 1.117 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.127 -7.008 3.097 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.738 -6.849 1.463 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.284 -5.117 3.865 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.406 -5.700 2.652 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.414 -3.164 2.577 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.814 -4.034 1.109 1.00 0.00 H new ATOM 893 N LYS A 62 3.356 -4.356 3.975 1.00 0.00 N ATOM 894 CA LYS A 62 2.486 -4.177 5.131 1.00 0.00 C ATOM 895 C LYS A 62 1.095 -3.724 4.700 1.00 0.00 C ATOM 896 O LYS A 62 0.129 -3.847 5.455 1.00 0.00 O ATOM 897 CB LYS A 62 3.090 -3.155 6.097 1.00 0.00 C ATOM 898 CG LYS A 62 3.879 -3.784 7.232 1.00 0.00 C ATOM 899 CD LYS A 62 3.416 -3.269 8.585 1.00 0.00 C ATOM 900 CE LYS A 62 4.463 -3.512 9.662 1.00 0.00 C ATOM 901 NZ LYS A 62 4.836 -2.255 10.367 1.00 0.00 N ATOM 0 H LYS A 62 4.092 -3.655 3.889 1.00 0.00 H new ATOM 0 HA LYS A 62 2.395 -5.138 5.638 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.743 -2.483 5.540 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.289 -2.546 6.516 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.768 -4.868 7.197 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.940 -3.568 7.103 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.204 -2.202 8.516 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.485 -3.762 8.864 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.080 -4.233 10.384 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.352 -3.953 9.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.551 -2.463 11.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.225 -1.575 9.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.993 -1.847 10.819 1.00 0.00 H new ATOM 915 N CYS A 63 0.998 -3.202 3.482 1.00 0.00 N ATOM 916 CA CYS A 63 -0.275 -2.731 2.950 1.00 0.00 C ATOM 917 C CYS A 63 -0.852 -3.735 1.956 1.00 0.00 C ATOM 918 O CYS A 63 -2.053 -4.007 1.960 1.00 0.00 O ATOM 919 CB CYS A 63 -0.097 -1.371 2.274 1.00 0.00 C ATOM 920 SG CYS A 63 -0.059 0.036 3.431 1.00 0.00 S ATOM 0 H CYS A 63 1.787 -3.094 2.844 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.973 -2.627 3.781 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.830 -1.381 1.700 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.910 -1.221 1.563 1.00 0.00 H new ATOM 0 HG CYS A 63 1.167 0.441 3.582 1.00 0.00 H new ATOM 925 N ILE A 64 0.011 -4.280 1.106 1.00 0.00 N ATOM 926 CA ILE A 64 -0.413 -5.254 0.107 1.00 0.00 C ATOM 927 C ILE A 64 -0.878 -6.549 0.764 1.00 0.00 C ATOM 928 O ILE A 64 -1.918 -7.102 0.404 1.00 0.00 O ATOM 929 CB ILE A 64 0.721 -5.573 -0.885 1.00 0.00 C ATOM 930 CG1 ILE A 64 1.197 -4.295 -1.578 1.00 0.00 C ATOM 931 CG2 ILE A 64 0.255 -6.596 -1.910 1.00 0.00 C ATOM 932 CD1 ILE A 64 2.565 -4.424 -2.210 1.00 0.00 C ATOM 0 H ILE A 64 1.008 -4.064 1.089 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.245 -4.806 -0.437 1.00 0.00 H new ATOM 0 HB ILE A 64 1.559 -5.997 -0.332 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.475 -4.018 -2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.217 -3.483 -0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.067 -6.811 -2.604 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.040 -7.513 -1.400 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.597 -6.197 -2.461 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.838 -3.480 -2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.299 -4.671 -1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.546 -5.214 -2.961 1.00 0.00 H new ATOM 944 N LEU A 65 -0.103 -7.026 1.731 1.00 0.00 N ATOM 945 CA LEU A 65 -0.436 -8.256 2.442 1.00 0.00 C ATOM 946 C LEU A 65 -1.714 -8.085 3.257 1.00 0.00 C ATOM 947 O LEU A 65 -2.334 -9.064 3.670 1.00 0.00 O ATOM 948 CB LEU A 65 0.717 -8.667 3.359 1.00 0.00 C ATOM 949 CG LEU A 65 2.033 -9.022 2.665 1.00 0.00 C ATOM 950 CD1 LEU A 65 3.155 -9.153 3.684 1.00 0.00 C ATOM 951 CD2 LEU A 65 1.884 -10.307 1.865 1.00 0.00 C ATOM 0 H LEU A 65 0.760 -6.580 2.041 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.601 -9.040 1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.906 -7.853 4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.397 -9.526 3.949 1.00 0.00 H new ATOM 0 HG LEU A 65 2.288 -8.216 1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.084 -9.406 3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.278 -8.208 4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.908 -9.939 4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.830 -10.544 1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.606 -11.122 2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.109 -10.177 1.109 1.00 0.00 H new ATOM 963 N ALA A 66 -2.101 -6.834 3.484 1.00 0.00 N ATOM 964 CA ALA A 66 -3.307 -6.535 4.247 1.00 0.00 C ATOM 965 C ALA A 66 -4.524 -6.435 3.333 1.00 0.00 C ATOM 966 O ALA A 66 -5.570 -7.019 3.611 1.00 0.00 O ATOM 967 CB ALA A 66 -3.128 -5.245 5.033 1.00 0.00 C ATOM 0 H ALA A 66 -1.597 -6.012 3.151 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.477 -7.353 4.947 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.036 -5.034 5.598 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.289 -5.351 5.721 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.930 -4.424 4.344 1.00 0.00 H new ATOM 973 N GLU A 67 -4.379 -5.689 2.242 1.00 0.00 N ATOM 974 CA GLU A 67 -5.468 -5.512 1.288 1.00 0.00 C ATOM 975 C GLU A 67 -5.705 -6.790 0.490 1.00 0.00 C ATOM 976 O GLU A 67 -6.819 -7.052 0.035 1.00 0.00 O ATOM 977 CB GLU A 67 -5.158 -4.354 0.337 1.00 0.00 C ATOM 978 CG GLU A 67 -3.973 -4.616 -0.576 1.00 0.00 C ATOM 979 CD GLU A 67 -4.388 -4.870 -2.013 1.00 0.00 C ATOM 980 OE1 GLU A 67 -5.212 -5.781 -2.239 1.00 0.00 O ATOM 981 OE2 GLU A 67 -3.889 -4.160 -2.910 1.00 0.00 O ATOM 0 H GLU A 67 -3.519 -5.198 1.997 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.374 -5.281 1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.038 -4.151 -0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.962 -3.456 0.923 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.297 -3.761 -0.543 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.417 -5.477 -0.205 1.00 0.00 H new ATOM 988 N CYS A 68 -4.652 -7.582 0.325 1.00 0.00 N ATOM 989 CA CYS A 68 -4.745 -8.833 -0.419 1.00 0.00 C ATOM 990 C CYS A 68 -5.649 -9.828 0.301 1.00 0.00 C ATOM 991 O CYS A 68 -5.494 -10.071 1.498 1.00 0.00 O ATOM 992 CB CYS A 68 -3.354 -9.439 -0.615 1.00 0.00 C ATOM 993 SG CYS A 68 -3.354 -11.017 -1.498 1.00 0.00 S ATOM 0 H CYS A 68 -3.724 -7.380 0.696 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.179 -8.615 -1.395 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -2.734 -8.729 -1.162 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -2.890 -9.581 0.361 1.00 0.00 H new ATOM 0 HG CYS A 68 -2.133 -11.448 -1.616 1.00 0.00 H new