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 150:sc= 0.824 USER MOD Set 1.2: A 37 CYS SG : rot -51:sc= 0.328 USER MOD Set 1.3: A 60 CYS SG : rot -132:sc= 0.283 USER MOD Set 1.4: A 63 CYS SG : rot 105:sc= 0.218 USER MOD Set 2.1: A 19 CYS SG : rot 148:sc= 0.403 USER MOD Set 2.2: A 22 CYS SG : rot -56:sc= -0.0682 USER MOD Set 2.3: A 42 HIS : no HD1:sc= -3.02 X(o=-2.6,f=-3) USER MOD Set 2.4: A 45 CYS SG : rot 129:sc= 0.0758 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0339 K(o=-0.034,f=-1.5!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 153:sc= -0.0612 (180deg=-0.537) USER MOD Single : A 40 ASN : amide:sc= -1.47 X(o=-1.5,f=-1.8) 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 -17:sc= 0.0291 USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 16 10.715 13.763 8.336 1.00 0.00 N ATOM 184 CA SER A 16 11.818 12.910 7.910 1.00 0.00 C ATOM 185 C SER A 16 11.309 11.537 7.481 1.00 0.00 C ATOM 186 O SER A 16 10.127 11.226 7.631 1.00 0.00 O ATOM 187 CB SER A 16 12.839 12.758 9.040 1.00 0.00 C ATOM 188 OG SER A 16 14.162 12.905 8.555 1.00 0.00 O ATOM 0 HA SER A 16 12.301 13.383 7.055 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.646 13.504 9.811 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.726 11.780 9.507 1.00 0.00 H new ATOM 0 HG SER A 16 14.795 12.805 9.296 1.00 0.00 H new ATOM 194 N TYR A 17 12.210 10.720 6.947 1.00 0.00 N ATOM 195 CA TYR A 17 11.853 9.381 6.493 1.00 0.00 C ATOM 196 C TYR A 17 12.741 8.328 7.150 1.00 0.00 C ATOM 197 O TYR A 17 13.939 8.250 6.872 1.00 0.00 O ATOM 198 CB TYR A 17 11.971 9.287 4.971 1.00 0.00 C ATOM 199 CG TYR A 17 11.352 10.458 4.242 1.00 0.00 C ATOM 200 CD1 TYR A 17 10.029 10.819 4.463 1.00 0.00 C ATOM 201 CD2 TYR A 17 12.092 11.205 3.333 1.00 0.00 C ATOM 202 CE1 TYR A 17 9.459 11.887 3.799 1.00 0.00 C ATOM 203 CE2 TYR A 17 11.531 12.276 2.665 1.00 0.00 C ATOM 204 CZ TYR A 17 10.214 12.613 2.901 1.00 0.00 C ATOM 205 OH TYR A 17 9.651 13.679 2.239 1.00 0.00 O ATOM 0 H TYR A 17 13.193 10.961 6.818 1.00 0.00 H new ATOM 0 HA TYR A 17 10.820 9.190 6.783 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.025 9.217 4.700 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.494 8.367 4.634 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.436 10.254 5.167 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.123 10.944 3.146 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.428 12.153 3.982 1.00 0.00 H new ATOM 0 HE2 TYR A 17 12.120 12.846 1.962 1.00 0.00 H new ATOM 0 HH TYR A 17 10.317 14.083 1.644 1.00 0.00 H new ATOM 215 N ILE A 18 12.146 7.521 8.020 1.00 0.00 N ATOM 216 CA ILE A 18 12.881 6.471 8.715 1.00 0.00 C ATOM 217 C ILE A 18 12.395 5.089 8.295 1.00 0.00 C ATOM 218 O ILE A 18 11.192 4.828 8.252 1.00 0.00 O ATOM 219 CB ILE A 18 12.748 6.608 10.243 1.00 0.00 C ATOM 220 CG1 ILE A 18 13.031 8.049 10.675 1.00 0.00 C ATOM 221 CG2 ILE A 18 13.693 5.644 10.946 1.00 0.00 C ATOM 222 CD1 ILE A 18 14.419 8.527 10.313 1.00 0.00 C ATOM 0 H ILE A 18 11.156 7.573 8.261 1.00 0.00 H new ATOM 0 HA ILE A 18 13.929 6.584 8.438 1.00 0.00 H new ATOM 0 HB ILE A 18 11.726 6.357 10.527 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.296 8.709 10.213 1.00 0.00 H new ATOM 0 HG13 ILE A 18 12.898 8.129 11.754 1.00 0.00 H new ATOM 0 HG21 ILE A 18 13.587 5.753 12.025 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.449 4.621 10.659 1.00 0.00 H new ATOM 0 HG23 ILE A 18 14.720 5.867 10.658 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.549 9.556 10.649 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.160 7.891 10.796 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.550 8.480 9.232 1.00 0.00 H new ATOM 234 N CYS A 19 13.338 4.204 7.989 1.00 0.00 N ATOM 235 CA CYS A 19 13.007 2.846 7.574 1.00 0.00 C ATOM 236 C CYS A 19 12.142 2.152 8.622 1.00 0.00 C ATOM 237 O CYS A 19 12.194 2.488 9.805 1.00 0.00 O ATOM 238 CB CYS A 19 14.284 2.038 7.334 1.00 0.00 C ATOM 239 SG CYS A 19 14.013 0.458 6.469 1.00 0.00 S ATOM 0 H CYS A 19 14.338 4.403 8.021 1.00 0.00 H new ATOM 0 HA CYS A 19 12.442 2.905 6.644 1.00 0.00 H new ATOM 0 HB2 CYS A 19 14.980 2.643 6.753 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.760 1.837 8.294 1.00 0.00 H new ATOM 0 HG CYS A 19 15.053 0.178 5.741 1.00 0.00 H new ATOM 244 N GLN A 20 11.347 1.183 8.179 1.00 0.00 N ATOM 245 CA GLN A 20 10.471 0.443 9.079 1.00 0.00 C ATOM 246 C GLN A 20 10.994 -0.972 9.305 1.00 0.00 C ATOM 247 O GLN A 20 10.238 -1.873 9.670 1.00 0.00 O ATOM 248 CB GLN A 20 9.051 0.390 8.513 1.00 0.00 C ATOM 249 CG GLN A 20 8.194 1.582 8.907 1.00 0.00 C ATOM 250 CD GLN A 20 7.670 1.480 10.326 1.00 0.00 C ATOM 251 OE1 GLN A 20 7.794 0.440 10.973 1.00 0.00 O ATOM 252 NE2 GLN A 20 7.081 2.563 10.819 1.00 0.00 N ATOM 0 H GLN A 20 11.292 0.892 7.203 1.00 0.00 H new ATOM 0 HA GLN A 20 10.453 0.962 10.037 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.104 0.335 7.426 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.566 -0.524 8.855 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.780 2.496 8.805 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.353 1.664 8.218 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.000 3.404 10.248 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.710 2.554 11.769 1.00 0.00 H new ATOM 261 N VAL A 21 12.291 -1.160 9.087 1.00 0.00 N ATOM 262 CA VAL A 21 12.916 -2.465 9.269 1.00 0.00 C ATOM 263 C VAL A 21 14.201 -2.352 10.080 1.00 0.00 C ATOM 264 O VAL A 21 14.463 -3.165 10.967 1.00 0.00 O ATOM 265 CB VAL A 21 13.233 -3.129 7.915 1.00 0.00 C ATOM 266 CG1 VAL A 21 13.911 -4.474 8.126 1.00 0.00 C ATOM 267 CG2 VAL A 21 11.965 -3.285 7.089 1.00 0.00 C ATOM 0 H VAL A 21 12.930 -0.425 8.784 1.00 0.00 H new ATOM 0 HA VAL A 21 12.202 -3.084 9.811 1.00 0.00 H new ATOM 0 HB VAL A 21 13.920 -2.485 7.366 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.127 -4.928 7.159 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.841 -4.330 8.676 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.251 -5.129 8.695 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.207 -3.756 6.136 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.252 -3.907 7.630 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.526 -2.304 6.908 1.00 0.00 H new ATOM 277 N CYS A 22 15.001 -1.336 9.772 1.00 0.00 N ATOM 278 CA CYS A 22 16.261 -1.114 10.472 1.00 0.00 C ATOM 279 C CYS A 22 16.226 0.197 11.252 1.00 0.00 C ATOM 280 O CYS A 22 17.046 0.425 12.140 1.00 0.00 O ATOM 281 CB CYS A 22 17.424 -1.099 9.479 1.00 0.00 C ATOM 282 SG CYS A 22 17.347 0.256 8.263 1.00 0.00 S ATOM 0 H CYS A 22 14.799 -0.653 9.042 1.00 0.00 H new ATOM 0 HA CYS A 22 16.405 -1.932 11.178 1.00 0.00 H new ATOM 0 HB2 CYS A 22 18.360 -1.023 10.033 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.445 -2.050 8.947 1.00 0.00 H new ATOM 0 HG CYS A 22 16.212 0.208 7.631 1.00 0.00 H new ATOM 287 N SER A 23 15.270 1.056 10.912 1.00 0.00 N ATOM 288 CA SER A 23 15.129 2.346 11.577 1.00 0.00 C ATOM 289 C SER A 23 16.354 3.221 11.329 1.00 0.00 C ATOM 290 O SER A 23 17.078 3.573 12.261 1.00 0.00 O ATOM 291 CB SER A 23 14.925 2.148 13.081 1.00 0.00 C ATOM 292 OG SER A 23 13.992 1.113 13.337 1.00 0.00 O ATOM 0 H SER A 23 14.582 0.882 10.180 1.00 0.00 H new ATOM 0 HA SER A 23 14.255 2.848 11.162 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.878 1.907 13.552 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.574 3.078 13.529 1.00 0.00 H new ATOM 0 HG SER A 23 13.881 1.005 14.305 1.00 0.00 H new ATOM 298 N ARG A 24 16.579 3.568 10.066 1.00 0.00 N ATOM 299 CA ARG A 24 17.716 4.401 9.694 1.00 0.00 C ATOM 300 C ARG A 24 17.258 5.631 8.917 1.00 0.00 C ATOM 301 O ARG A 24 16.078 5.773 8.598 1.00 0.00 O ATOM 302 CB ARG A 24 18.712 3.597 8.856 1.00 0.00 C ATOM 303 CG ARG A 24 19.673 2.763 9.687 1.00 0.00 C ATOM 304 CD ARG A 24 20.670 3.638 10.431 1.00 0.00 C ATOM 305 NE ARG A 24 21.580 2.849 11.258 1.00 0.00 N ATOM 306 CZ ARG A 24 22.722 3.319 11.746 1.00 0.00 C ATOM 307 NH1 ARG A 24 23.093 4.566 11.492 1.00 0.00 N ATOM 308 NH2 ARG A 24 23.497 2.540 12.490 1.00 0.00 N ATOM 0 H ARG A 24 15.989 3.285 9.283 1.00 0.00 H new ATOM 0 HA ARG A 24 18.206 4.733 10.609 1.00 0.00 H new ATOM 0 HB2 ARG A 24 18.161 2.939 8.184 1.00 0.00 H new ATOM 0 HB3 ARG A 24 19.285 4.282 8.232 1.00 0.00 H new ATOM 0 HG2 ARG A 24 19.111 2.162 10.402 1.00 0.00 H new ATOM 0 HG3 ARG A 24 20.209 2.069 9.039 1.00 0.00 H new ATOM 0 HD2 ARG A 24 21.246 4.222 9.713 1.00 0.00 H new ATOM 0 HD3 ARG A 24 20.132 4.347 11.060 1.00 0.00 H new ATOM 0 HE ARG A 24 21.324 1.885 11.472 1.00 0.00 H new ATOM 0 HH11 ARG A 24 22.501 5.168 10.920 1.00 0.00 H new ATOM 0 HH12 ARG A 24 23.971 4.924 11.869 1.00 0.00 H new ATOM 0 HH21 ARG A 24 23.216 1.580 12.687 1.00 0.00 H new ATOM 0 HH22 ARG A 24 24.374 2.902 12.865 1.00 0.00 H new ATOM 322 N GLY A 25 18.200 6.520 8.615 1.00 0.00 N ATOM 323 CA GLY A 25 17.873 7.727 7.879 1.00 0.00 C ATOM 324 C GLY A 25 18.877 8.029 6.785 1.00 0.00 C ATOM 325 O GLY A 25 18.508 8.485 5.703 1.00 0.00 O ATOM 0 H GLY A 25 19.184 6.425 8.867 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.881 7.623 7.439 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.829 8.569 8.570 1.00 0.00 H new ATOM 329 N ASP A 26 20.151 7.775 7.066 1.00 0.00 N ATOM 330 CA ASP A 26 21.212 8.022 6.098 1.00 0.00 C ATOM 331 C ASP A 26 20.985 7.214 4.824 1.00 0.00 C ATOM 332 O ASP A 26 21.498 7.559 3.760 1.00 0.00 O ATOM 333 CB ASP A 26 22.574 7.675 6.701 1.00 0.00 C ATOM 334 CG ASP A 26 23.237 8.868 7.360 1.00 0.00 C ATOM 335 OD1 ASP A 26 22.658 9.410 8.325 1.00 0.00 O ATOM 336 OD2 ASP A 26 24.334 9.261 6.911 1.00 0.00 O ATOM 0 H ASP A 26 20.473 7.398 7.957 1.00 0.00 H new ATOM 0 HA ASP A 26 21.196 9.081 5.842 1.00 0.00 H new ATOM 0 HB2 ASP A 26 22.450 6.880 7.436 1.00 0.00 H new ATOM 0 HB3 ASP A 26 23.226 7.287 5.919 1.00 0.00 H new ATOM 341 N GLU A 27 20.214 6.138 4.942 1.00 0.00 N ATOM 342 CA GLU A 27 19.921 5.280 3.799 1.00 0.00 C ATOM 343 C GLU A 27 18.733 5.817 3.006 1.00 0.00 C ATOM 344 O GLU A 27 18.332 5.235 1.998 1.00 0.00 O ATOM 345 CB GLU A 27 19.634 3.852 4.266 1.00 0.00 C ATOM 346 CG GLU A 27 20.887 3.025 4.503 1.00 0.00 C ATOM 347 CD GLU A 27 21.697 2.818 3.238 1.00 0.00 C ATOM 348 OE1 GLU A 27 21.228 3.237 2.159 1.00 0.00 O ATOM 349 OE2 GLU A 27 22.799 2.238 3.327 1.00 0.00 O ATOM 0 H GLU A 27 19.781 5.839 5.816 1.00 0.00 H new ATOM 0 HA GLU A 27 20.796 5.273 3.149 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.054 3.890 5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.015 3.353 3.521 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.508 3.519 5.251 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.606 2.055 4.913 1.00 0.00 H new ATOM 356 N ASP A 28 18.173 6.929 3.470 1.00 0.00 N ATOM 357 CA ASP A 28 17.031 7.545 2.805 1.00 0.00 C ATOM 358 C ASP A 28 17.299 7.718 1.314 1.00 0.00 C ATOM 359 O ASP A 28 16.373 7.723 0.503 1.00 0.00 O ATOM 360 CB ASP A 28 16.714 8.900 3.440 1.00 0.00 C ATOM 361 CG ASP A 28 17.820 9.914 3.223 1.00 0.00 C ATOM 362 OD1 ASP A 28 19.002 9.545 3.381 1.00 0.00 O ATOM 363 OD2 ASP A 28 17.503 11.077 2.896 1.00 0.00 O ATOM 0 H ASP A 28 18.492 7.422 4.304 1.00 0.00 H new ATOM 0 HA ASP A 28 16.172 6.886 2.927 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.784 9.286 3.021 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.551 8.768 4.510 1.00 0.00 H new ATOM 368 N ASP A 29 18.572 7.862 0.959 1.00 0.00 N ATOM 369 CA ASP A 29 18.962 8.036 -0.435 1.00 0.00 C ATOM 370 C ASP A 29 18.345 6.951 -1.312 1.00 0.00 C ATOM 371 O ASP A 29 18.087 7.166 -2.496 1.00 0.00 O ATOM 372 CB ASP A 29 20.486 8.010 -0.567 1.00 0.00 C ATOM 373 CG ASP A 29 21.086 9.401 -0.616 1.00 0.00 C ATOM 374 OD1 ASP A 29 21.288 9.998 0.462 1.00 0.00 O ATOM 375 OD2 ASP A 29 21.354 9.893 -1.732 1.00 0.00 O ATOM 0 H ASP A 29 19.351 7.862 1.618 1.00 0.00 H new ATOM 0 HA ASP A 29 18.592 9.004 -0.772 1.00 0.00 H new ATOM 0 HB2 ASP A 29 20.911 7.463 0.275 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.760 7.467 -1.471 1.00 0.00 H new ATOM 380 N LYS A 30 18.110 5.783 -0.723 1.00 0.00 N ATOM 381 CA LYS A 30 17.523 4.663 -1.448 1.00 0.00 C ATOM 382 C LYS A 30 16.260 4.166 -0.752 1.00 0.00 C ATOM 383 O LYS A 30 15.950 2.974 -0.784 1.00 0.00 O ATOM 384 CB LYS A 30 18.534 3.521 -1.571 1.00 0.00 C ATOM 385 CG LYS A 30 19.574 3.743 -2.656 1.00 0.00 C ATOM 386 CD LYS A 30 20.567 2.594 -2.720 1.00 0.00 C ATOM 387 CE LYS A 30 20.778 2.119 -4.149 1.00 0.00 C ATOM 388 NZ LYS A 30 21.106 3.246 -5.066 1.00 0.00 N ATOM 0 H LYS A 30 18.318 5.588 0.256 1.00 0.00 H new ATOM 0 HA LYS A 30 17.254 5.010 -2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.041 3.391 -0.615 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.999 2.594 -1.777 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.078 3.850 -3.621 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.106 4.675 -2.466 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.520 2.911 -2.296 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.207 1.766 -2.110 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.584 1.385 -4.173 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.878 1.615 -4.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.669 2.891 -5.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.226 3.670 -5.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.652 3.965 -4.550 1.00 0.00 H new ATOM 402 N LEU A 31 15.535 5.085 -0.126 1.00 0.00 N ATOM 403 CA LEU A 31 14.304 4.740 0.578 1.00 0.00 C ATOM 404 C LEU A 31 13.112 4.749 -0.374 1.00 0.00 C ATOM 405 O LEU A 31 13.038 5.575 -1.285 1.00 0.00 O ATOM 406 CB LEU A 31 14.059 5.718 1.728 1.00 0.00 C ATOM 407 CG LEU A 31 14.262 5.160 3.138 1.00 0.00 C ATOM 408 CD1 LEU A 31 14.006 6.237 4.180 1.00 0.00 C ATOM 409 CD2 LEU A 31 13.354 3.961 3.372 1.00 0.00 C ATOM 0 H LEU A 31 15.777 6.075 -0.091 1.00 0.00 H new ATOM 0 HA LEU A 31 14.416 3.734 0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.722 6.574 1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.038 6.091 1.650 1.00 0.00 H new ATOM 0 HG LEU A 31 15.297 4.831 3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.155 5.822 5.177 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.697 7.065 4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.982 6.597 4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.511 3.577 4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.313 4.265 3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.586 3.182 2.646 1.00 0.00 H new ATOM 421 N LEU A 32 12.181 3.827 -0.157 1.00 0.00 N ATOM 422 CA LEU A 32 10.990 3.729 -0.994 1.00 0.00 C ATOM 423 C LEU A 32 9.769 4.289 -0.271 1.00 0.00 C ATOM 424 O LEU A 32 9.684 4.238 0.956 1.00 0.00 O ATOM 425 CB LEU A 32 10.739 2.274 -1.391 1.00 0.00 C ATOM 426 CG LEU A 32 11.553 1.751 -2.575 1.00 0.00 C ATOM 427 CD1 LEU A 32 12.990 1.479 -2.158 1.00 0.00 C ATOM 428 CD2 LEU A 32 10.914 0.494 -3.148 1.00 0.00 C ATOM 0 H LEU A 32 12.228 3.136 0.592 1.00 0.00 H new ATOM 0 HA LEU A 32 11.159 4.320 -1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.945 1.642 -0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.681 2.160 -1.625 1.00 0.00 H new ATOM 0 HG LEU A 32 11.561 2.516 -3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.553 1.108 -3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.445 2.401 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.003 0.733 -1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.507 0.136 -3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.874 -0.277 -2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.903 0.722 -3.487 1.00 0.00 H new ATOM 440 N PHE A 33 8.825 4.821 -1.040 1.00 0.00 N ATOM 441 CA PHE A 33 7.607 5.389 -0.474 1.00 0.00 C ATOM 442 C PHE A 33 6.382 4.590 -0.907 1.00 0.00 C ATOM 443 O PHE A 33 6.193 4.314 -2.092 1.00 0.00 O ATOM 444 CB PHE A 33 7.455 6.850 -0.900 1.00 0.00 C ATOM 445 CG PHE A 33 8.710 7.658 -0.732 1.00 0.00 C ATOM 446 CD1 PHE A 33 9.340 7.735 0.499 1.00 0.00 C ATOM 447 CD2 PHE A 33 9.259 8.340 -1.806 1.00 0.00 C ATOM 448 CE1 PHE A 33 10.495 8.478 0.656 1.00 0.00 C ATOM 449 CE2 PHE A 33 10.414 9.085 -1.655 1.00 0.00 C ATOM 450 CZ PHE A 33 11.033 9.153 -0.422 1.00 0.00 C ATOM 0 H PHE A 33 8.880 4.871 -2.057 1.00 0.00 H new ATOM 0 HA PHE A 33 7.684 5.341 0.612 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.147 6.885 -1.945 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.656 7.309 -0.317 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.924 7.209 1.346 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.779 8.289 -2.772 1.00 0.00 H new ATOM 0 HE1 PHE A 33 10.976 8.531 1.621 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.831 9.613 -2.500 1.00 0.00 H new ATOM 0 HZ PHE A 33 11.936 9.733 -0.301 1.00 0.00 H new ATOM 460 N CYS A 34 5.550 4.221 0.062 1.00 0.00 N ATOM 461 CA CYS A 34 4.343 3.453 -0.217 1.00 0.00 C ATOM 462 C CYS A 34 3.191 4.374 -0.609 1.00 0.00 C ATOM 463 O CYS A 34 3.019 5.449 -0.034 1.00 0.00 O ATOM 464 CB CYS A 34 3.950 2.619 1.004 1.00 0.00 C ATOM 465 SG CYS A 34 2.319 1.820 0.865 1.00 0.00 S ATOM 0 H CYS A 34 5.690 4.442 1.048 1.00 0.00 H new ATOM 0 HA CYS A 34 4.552 2.785 -1.053 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.706 1.851 1.165 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.955 3.260 1.885 1.00 0.00 H new ATOM 0 HG CYS A 34 2.323 0.706 1.536 1.00 0.00 H new ATOM 470 N ASP A 35 2.406 3.945 -1.591 1.00 0.00 N ATOM 471 CA ASP A 35 1.270 4.730 -2.060 1.00 0.00 C ATOM 472 C ASP A 35 0.000 4.353 -1.303 1.00 0.00 C ATOM 473 O ASP A 35 -1.056 4.154 -1.902 1.00 0.00 O ATOM 474 CB ASP A 35 1.064 4.522 -3.561 1.00 0.00 C ATOM 475 CG ASP A 35 0.013 5.452 -4.135 1.00 0.00 C ATOM 476 OD1 ASP A 35 0.217 6.682 -4.081 1.00 0.00 O ATOM 477 OD2 ASP A 35 -1.014 4.948 -4.638 1.00 0.00 O ATOM 0 H ASP A 35 2.535 3.058 -2.078 1.00 0.00 H new ATOM 0 HA ASP A 35 1.485 5.782 -1.873 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.009 4.682 -4.080 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.770 3.489 -3.745 1.00 0.00 H new ATOM 482 N GLY A 36 0.112 4.255 0.019 1.00 0.00 N ATOM 483 CA GLY A 36 -1.034 3.901 0.836 1.00 0.00 C ATOM 484 C GLY A 36 -0.877 4.344 2.277 1.00 0.00 C ATOM 485 O GLY A 36 -1.816 4.863 2.881 1.00 0.00 O ATOM 0 H GLY A 36 0.976 4.414 0.538 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.931 4.355 0.415 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.179 2.821 0.805 1.00 0.00 H new ATOM 489 N CYS A 37 0.313 4.137 2.832 1.00 0.00 N ATOM 490 CA CYS A 37 0.590 4.515 4.212 1.00 0.00 C ATOM 491 C CYS A 37 1.698 5.563 4.276 1.00 0.00 C ATOM 492 O CYS A 37 1.906 6.198 5.310 1.00 0.00 O ATOM 493 CB CYS A 37 0.987 3.285 5.030 1.00 0.00 C ATOM 494 SG CYS A 37 2.506 2.464 4.449 1.00 0.00 S ATOM 0 H CYS A 37 1.101 3.709 2.346 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.318 4.945 4.635 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.122 3.582 6.070 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.167 2.567 5.007 1.00 0.00 H new ATOM 0 HG CYS A 37 2.418 2.242 3.171 1.00 0.00 H new ATOM 499 N ASP A 38 2.406 5.736 3.166 1.00 0.00 N ATOM 500 CA ASP A 38 3.492 6.707 3.095 1.00 0.00 C ATOM 501 C ASP A 38 4.615 6.337 4.058 1.00 0.00 C ATOM 502 O ASP A 38 5.091 7.174 4.824 1.00 0.00 O ATOM 503 CB ASP A 38 2.972 8.110 3.413 1.00 0.00 C ATOM 504 CG ASP A 38 3.890 9.199 2.893 1.00 0.00 C ATOM 505 OD1 ASP A 38 4.522 8.988 1.837 1.00 0.00 O ATOM 506 OD2 ASP A 38 3.974 10.263 3.541 1.00 0.00 O ATOM 0 H ASP A 38 2.248 5.217 2.303 1.00 0.00 H new ATOM 0 HA ASP A 38 3.890 6.697 2.080 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.981 8.235 2.976 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.861 8.217 4.492 1.00 0.00 H new ATOM 511 N ASP A 39 5.034 5.077 4.013 1.00 0.00 N ATOM 512 CA ASP A 39 6.102 4.595 4.882 1.00 0.00 C ATOM 513 C ASP A 39 7.446 4.631 4.162 1.00 0.00 C ATOM 514 O ASP A 39 7.531 5.042 3.005 1.00 0.00 O ATOM 515 CB ASP A 39 5.801 3.172 5.354 1.00 0.00 C ATOM 516 CG ASP A 39 4.921 3.145 6.589 1.00 0.00 C ATOM 517 OD1 ASP A 39 4.376 4.209 6.952 1.00 0.00 O ATOM 518 OD2 ASP A 39 4.778 2.061 7.192 1.00 0.00 O ATOM 0 H ASP A 39 4.651 4.371 3.384 1.00 0.00 H new ATOM 0 HA ASP A 39 6.156 5.253 5.749 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.311 2.622 4.550 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.738 2.657 5.568 1.00 0.00 H new ATOM 523 N ASN A 40 8.495 4.200 4.855 1.00 0.00 N ATOM 524 CA ASN A 40 9.836 4.185 4.282 1.00 0.00 C ATOM 525 C ASN A 40 10.452 2.792 4.375 1.00 0.00 C ATOM 526 O ASN A 40 10.582 2.231 5.463 1.00 0.00 O ATOM 527 CB ASN A 40 10.730 5.199 4.997 1.00 0.00 C ATOM 528 CG ASN A 40 9.964 6.426 5.453 1.00 0.00 C ATOM 529 OD1 ASN A 40 9.904 6.727 6.645 1.00 0.00 O ATOM 530 ND2 ASN A 40 9.373 7.140 4.502 1.00 0.00 N ATOM 0 H ASN A 40 8.442 3.857 5.814 1.00 0.00 H new ATOM 0 HA ASN A 40 9.757 4.459 3.230 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.196 4.723 5.860 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.535 5.504 4.328 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.842 7.976 4.747 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.450 6.853 3.526 1.00 0.00 H new ATOM 537 N TYR A 41 10.829 2.240 3.227 1.00 0.00 N ATOM 538 CA TYR A 41 11.430 0.912 3.179 1.00 0.00 C ATOM 539 C TYR A 41 12.616 0.886 2.220 1.00 0.00 C ATOM 540 O TYR A 41 12.547 1.422 1.113 1.00 0.00 O ATOM 541 CB TYR A 41 10.390 -0.125 2.751 1.00 0.00 C ATOM 542 CG TYR A 41 9.311 -0.362 3.783 1.00 0.00 C ATOM 543 CD1 TYR A 41 9.482 -1.299 4.794 1.00 0.00 C ATOM 544 CD2 TYR A 41 8.119 0.352 3.747 1.00 0.00 C ATOM 545 CE1 TYR A 41 8.498 -1.519 5.739 1.00 0.00 C ATOM 546 CE2 TYR A 41 7.131 0.140 4.688 1.00 0.00 C ATOM 547 CZ TYR A 41 7.325 -0.797 5.682 1.00 0.00 C ATOM 548 OH TYR A 41 6.342 -1.012 6.620 1.00 0.00 O ATOM 0 H TYR A 41 10.729 2.691 2.318 1.00 0.00 H new ATOM 0 HA TYR A 41 11.789 0.666 4.178 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.926 0.201 1.820 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.895 -1.068 2.542 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.400 -1.866 4.842 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.963 1.085 2.970 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.647 -2.252 6.518 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.211 0.705 4.646 1.00 0.00 H new ATOM 0 HH TYR A 41 5.581 -0.422 6.438 1.00 0.00 H new ATOM 558 N HIS A 42 13.704 0.256 2.652 1.00 0.00 N ATOM 559 CA HIS A 42 14.906 0.157 1.832 1.00 0.00 C ATOM 560 C HIS A 42 14.779 -0.974 0.815 1.00 0.00 C ATOM 561 O HIS A 42 13.828 -1.754 0.857 1.00 0.00 O ATOM 562 CB HIS A 42 16.134 -0.071 2.715 1.00 0.00 C ATOM 563 CG HIS A 42 16.437 1.078 3.626 1.00 0.00 C ATOM 564 ND1 HIS A 42 17.075 0.928 4.840 1.00 0.00 N ATOM 565 CD2 HIS A 42 16.188 2.402 3.495 1.00 0.00 C ATOM 566 CE1 HIS A 42 17.203 2.109 5.416 1.00 0.00 C ATOM 567 NE2 HIS A 42 16.674 3.021 4.621 1.00 0.00 N ATOM 0 H HIS A 42 13.778 -0.193 3.565 1.00 0.00 H new ATOM 0 HA HIS A 42 15.025 1.096 1.292 1.00 0.00 H new ATOM 0 HB2 HIS A 42 15.979 -0.968 3.314 1.00 0.00 H new ATOM 0 HB3 HIS A 42 16.999 -0.258 2.079 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.698 2.882 2.661 1.00 0.00 H new ATOM 0 HE1 HIS A 42 17.663 2.297 6.375 1.00 0.00 H new ATOM 0 HE2 HIS A 42 16.633 4.022 4.812 1.00 0.00 H new ATOM 575 N ILE A 43 15.743 -1.055 -0.096 1.00 0.00 N ATOM 576 CA ILE A 43 15.738 -2.090 -1.122 1.00 0.00 C ATOM 577 C ILE A 43 16.501 -3.327 -0.659 1.00 0.00 C ATOM 578 O ILE A 43 16.604 -4.314 -1.386 1.00 0.00 O ATOM 579 CB ILE A 43 16.358 -1.582 -2.437 1.00 0.00 C ATOM 580 CG1 ILE A 43 17.761 -1.027 -2.185 1.00 0.00 C ATOM 581 CG2 ILE A 43 15.468 -0.519 -3.066 1.00 0.00 C ATOM 582 CD1 ILE A 43 18.653 -1.061 -3.406 1.00 0.00 C ATOM 0 H ILE A 43 16.537 -0.417 -0.144 1.00 0.00 H new ATOM 0 HA ILE A 43 14.695 -2.354 -1.299 1.00 0.00 H new ATOM 0 HB ILE A 43 16.438 -2.419 -3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.678 0.002 -1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.231 -1.600 -1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 43 15.919 -0.170 -3.995 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.487 -0.944 -3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.360 0.319 -2.377 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.631 -0.652 -3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 43 18.766 -2.091 -3.745 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.205 -0.464 -4.201 1.00 0.00 H new ATOM 594 N PHE A 44 17.032 -3.266 0.558 1.00 0.00 N ATOM 595 CA PHE A 44 17.785 -4.382 1.120 1.00 0.00 C ATOM 596 C PHE A 44 17.251 -4.759 2.498 1.00 0.00 C ATOM 597 O PHE A 44 17.909 -5.469 3.259 1.00 0.00 O ATOM 598 CB PHE A 44 19.270 -4.025 1.216 1.00 0.00 C ATOM 599 CG PHE A 44 19.524 -2.667 1.805 1.00 0.00 C ATOM 600 CD1 PHE A 44 19.543 -2.487 3.179 1.00 0.00 C ATOM 601 CD2 PHE A 44 19.743 -1.572 0.986 1.00 0.00 C ATOM 602 CE1 PHE A 44 19.776 -1.238 3.724 1.00 0.00 C ATOM 603 CE2 PHE A 44 19.977 -0.321 1.525 1.00 0.00 C ATOM 604 CZ PHE A 44 19.994 -0.154 2.896 1.00 0.00 C ATOM 0 H PHE A 44 16.955 -2.456 1.174 1.00 0.00 H new ATOM 0 HA PHE A 44 17.666 -5.239 0.457 1.00 0.00 H new ATOM 0 HB2 PHE A 44 19.777 -4.776 1.822 1.00 0.00 H new ATOM 0 HB3 PHE A 44 19.711 -4.068 0.220 1.00 0.00 H new ATOM 0 HD1 PHE A 44 19.374 -3.331 3.831 1.00 0.00 H new ATOM 0 HD2 PHE A 44 19.731 -1.697 -0.087 1.00 0.00 H new ATOM 0 HE1 PHE A 44 19.788 -1.110 4.796 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.146 0.525 0.875 1.00 0.00 H new ATOM 0 HZ PHE A 44 20.177 0.822 3.320 1.00 0.00 H new ATOM 614 N CYS A 45 16.053 -4.278 2.814 1.00 0.00 N ATOM 615 CA CYS A 45 15.428 -4.563 4.100 1.00 0.00 C ATOM 616 C CYS A 45 14.196 -5.445 3.923 1.00 0.00 C ATOM 617 O CYS A 45 13.793 -6.160 4.842 1.00 0.00 O ATOM 618 CB CYS A 45 15.039 -3.260 4.801 1.00 0.00 C ATOM 619 SG CYS A 45 16.411 -2.456 5.690 1.00 0.00 S ATOM 0 H CYS A 45 15.495 -3.688 2.196 1.00 0.00 H new ATOM 0 HA CYS A 45 16.151 -5.098 4.716 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.644 -2.565 4.060 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.234 -3.466 5.507 1.00 0.00 H new ATOM 0 HG CYS A 45 16.483 -1.207 5.338 1.00 0.00 H new ATOM 624 N LEU A 46 13.602 -5.391 2.737 1.00 0.00 N ATOM 625 CA LEU A 46 12.415 -6.186 2.438 1.00 0.00 C ATOM 626 C LEU A 46 12.767 -7.665 2.316 1.00 0.00 C ATOM 627 O LEU A 46 13.877 -8.080 2.652 1.00 0.00 O ATOM 628 CB LEU A 46 11.763 -5.697 1.144 1.00 0.00 C ATOM 629 CG LEU A 46 11.542 -4.188 1.032 1.00 0.00 C ATOM 630 CD1 LEU A 46 11.498 -3.762 -0.428 1.00 0.00 C ATOM 631 CD2 LEU A 46 10.262 -3.781 1.747 1.00 0.00 C ATOM 0 H LEU A 46 13.922 -4.805 1.966 1.00 0.00 H new ATOM 0 HA LEU A 46 11.710 -6.066 3.261 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.382 -6.016 0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.799 -6.194 1.036 1.00 0.00 H new ATOM 0 HG LEU A 46 12.379 -3.681 1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.340 -2.685 -0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.441 -4.018 -0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.681 -4.277 -0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.121 -2.704 1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.414 -4.297 1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.332 -4.050 2.801 1.00 0.00 H new ATOM 643 N LEU A 47 11.816 -8.456 1.832 1.00 0.00 N ATOM 644 CA LEU A 47 12.025 -9.890 1.664 1.00 0.00 C ATOM 645 C LEU A 47 10.886 -10.516 0.867 1.00 0.00 C ATOM 646 O LEU A 47 9.777 -10.707 1.367 1.00 0.00 O ATOM 647 CB LEU A 47 12.144 -10.572 3.028 1.00 0.00 C ATOM 648 CG LEU A 47 13.195 -11.677 3.136 1.00 0.00 C ATOM 649 CD1 LEU A 47 13.752 -11.748 4.549 1.00 0.00 C ATOM 650 CD2 LEU A 47 12.603 -13.018 2.726 1.00 0.00 C ATOM 0 H LEU A 47 10.892 -8.129 1.549 1.00 0.00 H new ATOM 0 HA LEU A 47 12.953 -10.034 1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.369 -9.810 3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.173 -10.995 3.286 1.00 0.00 H new ATOM 0 HG LEU A 47 14.014 -11.441 2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.498 -12.540 4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.214 -10.795 4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.943 -11.960 5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.365 -13.793 2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.766 -13.261 3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.254 -12.962 1.695 1.00 0.00 H new ATOM 662 N PRO A 48 11.163 -10.847 -0.403 1.00 0.00 N ATOM 663 CA PRO A 48 12.479 -10.625 -1.010 1.00 0.00 C ATOM 664 C PRO A 48 12.774 -9.145 -1.228 1.00 0.00 C ATOM 665 O PRO A 48 11.878 -8.338 -1.476 1.00 0.00 O ATOM 666 CB PRO A 48 12.379 -11.354 -2.352 1.00 0.00 C ATOM 667 CG PRO A 48 10.923 -11.368 -2.667 1.00 0.00 C ATOM 668 CD PRO A 48 10.214 -11.464 -1.345 1.00 0.00 C ATOM 0 HA PRO A 48 13.287 -10.985 -0.374 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.947 -10.838 -3.126 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.779 -12.366 -2.284 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.631 -10.464 -3.202 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.670 -12.213 -3.307 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.262 -10.934 -1.361 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.999 -12.499 -1.079 1.00 0.00 H new ATOM 676 N PRO A 49 14.061 -8.777 -1.134 1.00 0.00 N ATOM 677 CA PRO A 49 14.504 -7.392 -1.319 1.00 0.00 C ATOM 678 C PRO A 49 14.376 -6.931 -2.767 1.00 0.00 C ATOM 679 O PRO A 49 13.932 -7.686 -3.633 1.00 0.00 O ATOM 680 CB PRO A 49 15.975 -7.431 -0.898 1.00 0.00 C ATOM 681 CG PRO A 49 16.396 -8.842 -1.121 1.00 0.00 C ATOM 682 CD PRO A 49 15.182 -9.685 -0.841 1.00 0.00 C ATOM 0 HA PRO A 49 13.900 -6.690 -0.743 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.575 -6.741 -1.491 1.00 0.00 H new ATOM 0 HB3 PRO A 49 16.096 -7.142 0.146 1.00 0.00 H new ATOM 0 HG2 PRO A 49 16.745 -8.988 -2.143 1.00 0.00 H new ATOM 0 HG3 PRO A 49 17.220 -9.113 -0.461 1.00 0.00 H new ATOM 0 HD2 PRO A 49 15.155 -10.573 -1.472 1.00 0.00 H new ATOM 0 HD3 PRO A 49 15.161 -10.028 0.193 1.00 0.00 H new ATOM 690 N LEU A 50 14.767 -5.687 -3.024 1.00 0.00 N ATOM 691 CA LEU A 50 14.696 -5.125 -4.368 1.00 0.00 C ATOM 692 C LEU A 50 16.076 -4.688 -4.848 1.00 0.00 C ATOM 693 O LEU A 50 16.985 -4.435 -4.057 1.00 0.00 O ATOM 694 CB LEU A 50 13.734 -3.936 -4.395 1.00 0.00 C ATOM 695 CG LEU A 50 12.244 -4.278 -4.380 1.00 0.00 C ATOM 696 CD1 LEU A 50 11.407 -3.012 -4.284 1.00 0.00 C ATOM 697 CD2 LEU A 50 11.867 -5.076 -5.620 1.00 0.00 C ATOM 0 H LEU A 50 15.136 -5.049 -2.319 1.00 0.00 H new ATOM 0 HA LEU A 50 14.326 -5.899 -5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.949 -3.301 -3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.942 -3.346 -5.288 1.00 0.00 H new ATOM 0 HG LEU A 50 12.040 -4.891 -3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.349 -3.275 -4.275 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.657 -2.479 -3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.614 -2.373 -5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.803 -5.310 -5.592 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.086 -4.488 -6.511 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.442 -6.002 -5.646 1.00 0.00 H new ATOM 709 N PRO A 51 16.239 -4.596 -6.177 1.00 0.00 N ATOM 710 CA PRO A 51 17.505 -4.187 -6.793 1.00 0.00 C ATOM 711 C PRO A 51 17.816 -2.714 -6.554 1.00 0.00 C ATOM 712 O PRO A 51 18.945 -2.355 -6.222 1.00 0.00 O ATOM 713 CB PRO A 51 17.275 -4.450 -8.283 1.00 0.00 C ATOM 714 CG PRO A 51 15.798 -4.369 -8.459 1.00 0.00 C ATOM 715 CD PRO A 51 15.199 -4.884 -7.179 1.00 0.00 C ATOM 0 HA PRO A 51 18.355 -4.728 -6.377 1.00 0.00 H new ATOM 0 HB2 PRO A 51 17.788 -3.712 -8.899 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.655 -5.429 -8.575 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.484 -3.343 -8.652 1.00 0.00 H new ATOM 0 HG3 PRO A 51 15.473 -4.967 -9.310 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.262 -4.380 -6.942 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.981 -5.950 -7.237 1.00 0.00 H new ATOM 723 N GLU A 52 16.807 -1.865 -6.724 1.00 0.00 N ATOM 724 CA GLU A 52 16.975 -0.430 -6.526 1.00 0.00 C ATOM 725 C GLU A 52 15.625 0.281 -6.529 1.00 0.00 C ATOM 726 O GLU A 52 14.584 -0.341 -6.742 1.00 0.00 O ATOM 727 CB GLU A 52 17.874 0.155 -7.617 1.00 0.00 C ATOM 728 CG GLU A 52 17.334 -0.045 -9.023 1.00 0.00 C ATOM 729 CD GLU A 52 18.083 0.774 -10.058 1.00 0.00 C ATOM 730 OE1 GLU A 52 18.995 1.531 -9.668 1.00 0.00 O ATOM 731 OE2 GLU A 52 17.755 0.656 -11.257 1.00 0.00 O ATOM 0 H GLU A 52 15.866 -2.146 -6.998 1.00 0.00 H new ATOM 0 HA GLU A 52 17.446 -0.275 -5.555 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.004 1.222 -7.435 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.861 -0.303 -7.547 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.397 -1.101 -9.286 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.279 0.226 -9.045 1.00 0.00 H new ATOM 738 N ILE A 53 15.651 1.588 -6.289 1.00 0.00 N ATOM 739 CA ILE A 53 14.430 2.384 -6.264 1.00 0.00 C ATOM 740 C ILE A 53 13.601 2.158 -7.523 1.00 0.00 C ATOM 741 O ILE A 53 14.104 2.209 -8.645 1.00 0.00 O ATOM 742 CB ILE A 53 14.741 3.887 -6.130 1.00 0.00 C ATOM 743 CG1 ILE A 53 15.165 4.217 -4.697 1.00 0.00 C ATOM 744 CG2 ILE A 53 13.531 4.715 -6.534 1.00 0.00 C ATOM 745 CD1 ILE A 53 14.046 4.080 -3.689 1.00 0.00 C ATOM 0 H ILE A 53 16.504 2.118 -6.109 1.00 0.00 H new ATOM 0 HA ILE A 53 13.859 2.060 -5.393 1.00 0.00 H new ATOM 0 HB ILE A 53 15.566 4.134 -6.798 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.985 3.559 -4.409 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.548 5.237 -4.666 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.766 5.775 -6.434 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.270 4.497 -7.570 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.689 4.467 -5.888 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.419 4.329 -2.695 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.234 4.758 -3.953 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.678 3.054 -3.691 1.00 0.00 H new ATOM 757 N PRO A 54 12.297 1.904 -7.335 1.00 0.00 N ATOM 758 CA PRO A 54 11.369 1.667 -8.444 1.00 0.00 C ATOM 759 C PRO A 54 11.105 2.929 -9.259 1.00 0.00 C ATOM 760 O PRO A 54 11.512 4.025 -8.872 1.00 0.00 O ATOM 761 CB PRO A 54 10.088 1.206 -7.743 1.00 0.00 C ATOM 762 CG PRO A 54 10.168 1.801 -6.379 1.00 0.00 C ATOM 763 CD PRO A 54 11.629 1.828 -6.024 1.00 0.00 C ATOM 0 HA PRO A 54 11.764 0.945 -9.158 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.200 1.550 -8.274 1.00 0.00 H new ATOM 0 HB3 PRO A 54 10.031 0.118 -7.698 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.745 2.805 -6.366 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.603 1.207 -5.661 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.875 2.685 -5.397 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.925 0.935 -5.473 1.00 0.00 H new ATOM 771 N ARG A 55 10.422 2.767 -10.387 1.00 0.00 N ATOM 772 CA ARG A 55 10.105 3.894 -11.256 1.00 0.00 C ATOM 773 C ARG A 55 8.705 4.427 -10.967 1.00 0.00 C ATOM 774 O ARG A 55 8.546 5.503 -10.394 1.00 0.00 O ATOM 775 CB ARG A 55 10.211 3.478 -12.725 1.00 0.00 C ATOM 776 CG ARG A 55 11.640 3.417 -13.239 1.00 0.00 C ATOM 777 CD ARG A 55 12.155 4.796 -13.620 1.00 0.00 C ATOM 778 NE ARG A 55 13.609 4.821 -13.752 1.00 0.00 N ATOM 779 CZ ARG A 55 14.288 5.867 -14.208 1.00 0.00 C ATOM 780 NH1 ARG A 55 13.648 6.968 -14.575 1.00 0.00 N ATOM 781 NH2 ARG A 55 15.611 5.813 -14.299 1.00 0.00 N ATOM 0 H ARG A 55 10.078 1.867 -10.721 1.00 0.00 H new ATOM 0 HA ARG A 55 10.825 4.688 -11.057 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.746 2.500 -12.851 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.644 4.181 -13.335 1.00 0.00 H new ATOM 0 HG2 ARG A 55 12.285 2.985 -12.474 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.688 2.757 -14.105 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.700 5.105 -14.561 1.00 0.00 H new ATOM 0 HD3 ARG A 55 11.847 5.519 -12.865 1.00 0.00 H new ATOM 0 HE ARG A 55 14.132 3.989 -13.479 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.631 7.013 -14.508 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.172 7.770 -14.925 1.00 0.00 H new ATOM 0 HH21 ARG A 55 16.107 4.967 -14.018 1.00 0.00 H new ATOM 0 HH22 ARG A 55 16.131 6.617 -14.649 1.00 0.00 H new ATOM 795 N GLY A 56 7.693 3.665 -11.370 1.00 0.00 N ATOM 796 CA GLY A 56 6.319 4.077 -11.146 1.00 0.00 C ATOM 797 C GLY A 56 5.949 4.086 -9.676 1.00 0.00 C ATOM 798 O GLY A 56 6.768 4.436 -8.825 1.00 0.00 O ATOM 0 H GLY A 56 7.800 2.770 -11.847 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.169 5.074 -11.561 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.649 3.405 -11.682 1.00 0.00 H new ATOM 802 N ILE A 57 4.713 3.702 -9.376 1.00 0.00 N ATOM 803 CA ILE A 57 4.237 3.668 -7.999 1.00 0.00 C ATOM 804 C ILE A 57 4.627 2.363 -7.314 1.00 0.00 C ATOM 805 O ILE A 57 4.424 1.279 -7.861 1.00 0.00 O ATOM 806 CB ILE A 57 2.707 3.834 -7.928 1.00 0.00 C ATOM 807 CG1 ILE A 57 2.289 5.176 -8.533 1.00 0.00 C ATOM 808 CG2 ILE A 57 2.229 3.724 -6.488 1.00 0.00 C ATOM 809 CD1 ILE A 57 0.793 5.326 -8.696 1.00 0.00 C ATOM 0 H ILE A 57 4.023 3.410 -10.068 1.00 0.00 H new ATOM 0 HA ILE A 57 4.710 4.503 -7.481 1.00 0.00 H new ATOM 0 HB ILE A 57 2.242 3.036 -8.507 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.660 5.982 -7.900 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.766 5.291 -9.507 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.146 3.843 -6.454 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.499 2.746 -6.089 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.699 4.503 -5.888 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.570 6.301 -9.130 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.418 4.542 -9.354 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.311 5.244 -7.722 1.00 0.00 H new ATOM 821 N TRP A 58 5.187 2.475 -6.115 1.00 0.00 N ATOM 822 CA TRP A 58 5.605 1.303 -5.354 1.00 0.00 C ATOM 823 C TRP A 58 4.842 1.208 -4.038 1.00 0.00 C ATOM 824 O TRP A 58 4.588 2.219 -3.383 1.00 0.00 O ATOM 825 CB TRP A 58 7.109 1.356 -5.083 1.00 0.00 C ATOM 826 CG TRP A 58 7.603 0.211 -4.251 1.00 0.00 C ATOM 827 CD1 TRP A 58 8.132 -0.964 -4.705 1.00 0.00 C ATOM 828 CD2 TRP A 58 7.612 0.132 -2.822 1.00 0.00 C ATOM 829 NE1 TRP A 58 8.469 -1.768 -3.643 1.00 0.00 N ATOM 830 CE2 TRP A 58 8.160 -1.119 -2.477 1.00 0.00 C ATOM 831 CE3 TRP A 58 7.211 0.996 -1.799 1.00 0.00 C ATOM 832 CZ2 TRP A 58 8.316 -1.524 -1.154 1.00 0.00 C ATOM 833 CZ3 TRP A 58 7.366 0.592 -0.487 1.00 0.00 C ATOM 834 CH2 TRP A 58 7.916 -0.658 -0.173 1.00 0.00 C ATOM 0 H TRP A 58 5.362 3.365 -5.649 1.00 0.00 H new ATOM 0 HA TRP A 58 5.381 0.416 -5.947 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.642 1.362 -6.034 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.347 2.292 -4.578 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.266 -1.223 -5.745 1.00 0.00 H new ATOM 0 HE1 TRP A 58 8.882 -2.698 -3.712 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.788 1.962 -2.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.738 -2.488 -0.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.058 1.251 0.311 1.00 0.00 H new ATOM 0 HH2 TRP A 58 8.026 -0.943 0.863 1.00 0.00 H new ATOM 845 N ARG A 59 4.478 -0.012 -3.656 1.00 0.00 N ATOM 846 CA ARG A 59 3.742 -0.237 -2.418 1.00 0.00 C ATOM 847 C ARG A 59 4.527 -1.146 -1.477 1.00 0.00 C ATOM 848 O ARG A 59 5.429 -1.869 -1.903 1.00 0.00 O ATOM 849 CB ARG A 59 2.375 -0.855 -2.718 1.00 0.00 C ATOM 850 CG ARG A 59 1.218 0.119 -2.556 1.00 0.00 C ATOM 851 CD ARG A 59 -0.034 -0.583 -2.055 1.00 0.00 C ATOM 852 NE ARG A 59 -1.143 -0.462 -2.998 1.00 0.00 N ATOM 853 CZ ARG A 59 -1.259 -1.201 -4.095 1.00 0.00 C ATOM 854 NH1 ARG A 59 -0.339 -2.111 -4.386 1.00 0.00 N ATOM 855 NH2 ARG A 59 -2.297 -1.032 -4.904 1.00 0.00 N ATOM 0 H ARG A 59 4.681 -0.859 -4.186 1.00 0.00 H new ATOM 0 HA ARG A 59 3.599 0.727 -1.929 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.375 -1.239 -3.738 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.217 -1.707 -2.056 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.499 0.907 -1.857 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.009 0.600 -3.512 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.185 -1.637 -1.886 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.327 -0.160 -1.094 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.868 0.228 -2.803 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.460 -2.245 -3.766 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.431 -2.677 -5.229 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.007 -0.334 -4.684 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.385 -1.600 -5.746 1.00 0.00 H new ATOM 869 N CYS A 60 4.179 -1.105 -0.195 1.00 0.00 N ATOM 870 CA CYS A 60 4.851 -1.923 0.807 1.00 0.00 C ATOM 871 C CYS A 60 4.070 -3.206 1.074 1.00 0.00 C ATOM 872 O CYS A 60 2.872 -3.300 0.806 1.00 0.00 O ATOM 873 CB CYS A 60 5.021 -1.135 2.108 1.00 0.00 C ATOM 874 SG CYS A 60 3.505 -1.023 3.112 1.00 0.00 S ATOM 0 H CYS A 60 3.435 -0.513 0.174 1.00 0.00 H new ATOM 0 HA CYS A 60 5.835 -2.191 0.422 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.805 -1.602 2.704 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.361 -0.127 1.868 1.00 0.00 H new ATOM 0 HG CYS A 60 3.318 0.210 3.479 1.00 0.00 H new ATOM 879 N PRO A 61 4.762 -4.218 1.616 1.00 0.00 N ATOM 880 CA PRO A 61 4.154 -5.514 1.933 1.00 0.00 C ATOM 881 C PRO A 61 3.179 -5.426 3.102 1.00 0.00 C ATOM 882 O PRO A 61 2.278 -6.254 3.236 1.00 0.00 O ATOM 883 CB PRO A 61 5.354 -6.389 2.302 1.00 0.00 C ATOM 884 CG PRO A 61 6.393 -5.429 2.770 1.00 0.00 C ATOM 885 CD PRO A 61 6.193 -4.176 1.962 1.00 0.00 C ATOM 0 HA PRO A 61 3.566 -5.903 1.101 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.097 -7.105 3.082 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.704 -6.964 1.444 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.286 -5.227 3.836 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.394 -5.834 2.621 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.442 -3.284 2.536 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.822 -4.167 1.072 1.00 0.00 H new ATOM 893 N LYS A 62 3.365 -4.417 3.947 1.00 0.00 N ATOM 894 CA LYS A 62 2.501 -4.220 5.104 1.00 0.00 C ATOM 895 C LYS A 62 1.112 -3.756 4.674 1.00 0.00 C ATOM 896 O LYS A 62 0.147 -3.870 5.430 1.00 0.00 O ATOM 897 CB LYS A 62 3.119 -3.195 6.059 1.00 0.00 C ATOM 898 CG LYS A 62 3.807 -3.821 7.260 1.00 0.00 C ATOM 899 CD LYS A 62 2.801 -4.282 8.301 1.00 0.00 C ATOM 900 CE LYS A 62 3.346 -4.121 9.712 1.00 0.00 C ATOM 901 NZ LYS A 62 2.287 -4.312 10.741 1.00 0.00 N ATOM 0 H LYS A 62 4.107 -3.723 3.852 1.00 0.00 H new ATOM 0 HA LYS A 62 2.403 -5.176 5.619 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.842 -2.590 5.511 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.338 -2.520 6.409 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.409 -4.669 6.934 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.489 -3.098 7.707 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.880 -3.708 8.198 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.547 -5.327 8.125 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.146 -4.842 9.877 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.784 -3.129 9.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.699 -4.194 11.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.535 -3.608 10.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.887 -5.268 10.654 1.00 0.00 H new ATOM 915 N CYS A 63 1.019 -3.235 3.456 1.00 0.00 N ATOM 916 CA CYS A 63 -0.251 -2.755 2.924 1.00 0.00 C ATOM 917 C CYS A 63 -0.840 -3.756 1.935 1.00 0.00 C ATOM 918 O CYS A 63 -2.044 -4.012 1.938 1.00 0.00 O ATOM 919 CB CYS A 63 -0.063 -1.398 2.242 1.00 0.00 C ATOM 920 SG CYS A 63 0.024 0.009 3.396 1.00 0.00 S ATOM 0 H CYS A 63 1.808 -3.134 2.818 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.945 -2.642 3.757 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.851 -1.425 1.649 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.888 -1.235 1.548 1.00 0.00 H new ATOM 0 HG CYS A 63 1.256 0.413 3.496 1.00 0.00 H new ATOM 925 N ILE A 64 0.018 -4.320 1.091 1.00 0.00 N ATOM 926 CA ILE A 64 -0.417 -5.294 0.098 1.00 0.00 C ATOM 927 C ILE A 64 -0.898 -6.579 0.763 1.00 0.00 C ATOM 928 O ILE A 64 -1.943 -7.124 0.403 1.00 0.00 O ATOM 929 CB ILE A 64 0.714 -5.633 -0.891 1.00 0.00 C ATOM 930 CG1 ILE A 64 1.199 -4.367 -1.599 1.00 0.00 C ATOM 931 CG2 ILE A 64 0.241 -6.665 -1.904 1.00 0.00 C ATOM 932 CD1 ILE A 64 2.586 -4.497 -2.189 1.00 0.00 C ATOM 0 H ILE A 64 1.018 -4.119 1.075 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.243 -4.840 -0.449 1.00 0.00 H new ATOM 0 HB ILE A 64 1.549 -6.057 -0.333 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.497 -4.114 -2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.191 -3.539 -0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.052 -6.894 -2.596 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.060 -7.574 -1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.608 -6.267 -2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.864 -3.562 -2.675 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.299 -4.720 -1.396 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.595 -5.304 -2.922 1.00 0.00 H new ATOM 944 N LEU A 65 -0.131 -7.059 1.735 1.00 0.00 N ATOM 945 CA LEU A 65 -0.479 -8.281 2.452 1.00 0.00 C ATOM 946 C LEU A 65 -1.754 -8.088 3.268 1.00 0.00 C ATOM 947 O LEU A 65 -2.389 -9.057 3.683 1.00 0.00 O ATOM 948 CB LEU A 65 0.669 -8.701 3.371 1.00 0.00 C ATOM 949 CG LEU A 65 1.979 -9.080 2.678 1.00 0.00 C ATOM 950 CD1 LEU A 65 3.094 -9.245 3.699 1.00 0.00 C ATOM 951 CD2 LEU A 65 1.803 -10.356 1.867 1.00 0.00 C ATOM 0 H LEU A 65 0.736 -6.621 2.045 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.654 -9.067 1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.871 -7.884 4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.338 -9.551 3.968 1.00 0.00 H new ATOM 0 HG LEU A 65 2.254 -8.275 1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.018 -9.515 3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.237 -8.308 4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.827 -10.031 4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.745 -10.611 1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.504 -11.169 2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.034 -10.203 1.110 1.00 0.00 H new ATOM 963 N ALA A 66 -2.122 -6.831 3.493 1.00 0.00 N ATOM 964 CA ALA A 66 -3.323 -6.511 4.255 1.00 0.00 C ATOM 965 C ALA A 66 -4.534 -6.372 3.339 1.00 0.00 C ATOM 966 O ALA A 66 -5.613 -6.879 3.642 1.00 0.00 O ATOM 967 CB ALA A 66 -3.115 -5.235 5.056 1.00 0.00 C ATOM 0 H ALA A 66 -1.606 -6.018 3.158 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.515 -7.333 4.945 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.020 -5.008 5.620 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.282 -5.370 5.746 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.894 -4.411 4.377 1.00 0.00 H new ATOM 973 N GLU A 67 -4.346 -5.681 2.218 1.00 0.00 N ATOM 974 CA GLU A 67 -5.425 -5.475 1.260 1.00 0.00 C ATOM 975 C GLU A 67 -5.724 -6.759 0.491 1.00 0.00 C ATOM 976 O GLU A 67 -6.850 -6.980 0.045 1.00 0.00 O ATOM 977 CB GLU A 67 -5.061 -4.356 0.282 1.00 0.00 C ATOM 978 CG GLU A 67 -4.803 -3.018 0.956 1.00 0.00 C ATOM 979 CD GLU A 67 -5.940 -2.035 0.755 1.00 0.00 C ATOM 980 OE1 GLU A 67 -6.128 -1.570 -0.388 1.00 0.00 O ATOM 981 OE2 GLU A 67 -6.641 -1.731 1.743 1.00 0.00 O ATOM 0 H GLU A 67 -3.458 -5.255 1.952 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.318 -5.188 1.815 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.173 -4.649 -0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.869 -4.240 -0.441 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.649 -3.177 2.023 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.882 -2.588 0.562 1.00 0.00 H new ATOM 988 N CYS A 68 -4.707 -7.601 0.341 1.00 0.00 N ATOM 989 CA CYS A 68 -4.860 -8.863 -0.374 1.00 0.00 C ATOM 990 C CYS A 68 -6.042 -9.658 0.171 1.00 0.00 C ATOM 991 O CYS A 68 -6.736 -10.349 -0.574 1.00 0.00 O ATOM 992 CB CYS A 68 -3.579 -9.692 -0.266 1.00 0.00 C ATOM 993 SG CYS A 68 -3.687 -11.322 -1.042 1.00 0.00 S ATOM 0 H CYS A 68 -3.769 -7.433 0.705 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.051 -8.637 -1.423 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -2.760 -9.137 -0.724 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.329 -9.819 0.787 1.00 0.00 H new ATOM 0 HG CYS A 68 -4.936 -11.630 -1.232 1.00 0.00 H new