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= 0.927 USER MOD Set 1.2: A 37 CYS SG : rot -51:sc= 0.341 USER MOD Set 1.3: A 60 CYS SG : rot -133:sc= 0.433 USER MOD Set 1.4: A 63 CYS SG : rot 104:sc= 0.224 USER MOD Set 2.1: A 19 CYS SG : rot 149:sc= 0.33 USER MOD Set 2.2: A 22 CYS SG : rot -53:sc= -0.136 USER MOD Set 2.3: A 42 HIS : no HD1:sc= -3.14 X(o=-2.9,f=-3.4) USER MOD Set 2.4: A 45 CYS SG : rot 133:sc= 0.0117 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= -0.0485 K(o=-0.049,f=-1.5!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 154:sc= -0.0607 (180deg=-0.413) USER MOD Single : A 40 ASN : amide:sc= -1.92 K(o=-1.9,f=-3.2) 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= -0.157 USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 16 10.982 13.661 8.315 1.00 0.00 N ATOM 184 CA SER A 16 12.053 12.682 8.173 1.00 0.00 C ATOM 185 C SER A 16 11.502 11.335 7.716 1.00 0.00 C ATOM 186 O SER A 16 10.303 11.076 7.818 1.00 0.00 O ATOM 187 CB SER A 16 12.800 12.517 9.499 1.00 0.00 C ATOM 188 OG SER A 16 14.130 12.996 9.398 1.00 0.00 O ATOM 0 HA SER A 16 12.747 13.046 7.415 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.274 13.058 10.286 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.810 11.466 9.786 1.00 0.00 H new ATOM 0 HG SER A 16 14.585 12.881 10.258 1.00 0.00 H new ATOM 194 N TYR A 17 12.386 10.481 7.213 1.00 0.00 N ATOM 195 CA TYR A 17 11.990 9.161 6.737 1.00 0.00 C ATOM 196 C TYR A 17 12.869 8.075 7.348 1.00 0.00 C ATOM 197 O TYR A 17 14.066 7.999 7.069 1.00 0.00 O ATOM 198 CB TYR A 17 12.071 9.100 5.211 1.00 0.00 C ATOM 199 CG TYR A 17 11.463 10.302 4.524 1.00 0.00 C ATOM 200 CD1 TYR A 17 10.210 10.778 4.892 1.00 0.00 C ATOM 201 CD2 TYR A 17 12.140 10.961 3.505 1.00 0.00 C ATOM 202 CE1 TYR A 17 9.650 11.875 4.267 1.00 0.00 C ATOM 203 CE2 TYR A 17 11.588 12.059 2.875 1.00 0.00 C ATOM 204 CZ TYR A 17 10.343 12.512 3.259 1.00 0.00 C ATOM 205 OH TYR A 17 9.789 13.606 2.633 1.00 0.00 O ATOM 0 H TYR A 17 13.383 10.679 7.124 1.00 0.00 H new ATOM 0 HA TYR A 17 10.960 8.986 7.047 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.116 9.012 4.914 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.565 8.199 4.864 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.665 10.281 5.681 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.114 10.609 3.201 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.675 12.232 4.566 1.00 0.00 H new ATOM 0 HE2 TYR A 17 12.128 12.560 2.086 1.00 0.00 H new ATOM 0 HH TYR A 17 10.406 13.938 1.948 1.00 0.00 H new ATOM 215 N ILE A 18 12.266 7.236 8.184 1.00 0.00 N ATOM 216 CA ILE A 18 12.993 6.152 8.834 1.00 0.00 C ATOM 217 C ILE A 18 12.463 4.792 8.391 1.00 0.00 C ATOM 218 O ILE A 18 11.259 4.539 8.432 1.00 0.00 O ATOM 219 CB ILE A 18 12.900 6.252 10.368 1.00 0.00 C ATOM 220 CG1 ILE A 18 13.222 7.676 10.828 1.00 0.00 C ATOM 221 CG2 ILE A 18 13.841 5.252 11.022 1.00 0.00 C ATOM 222 CD1 ILE A 18 14.591 8.154 10.398 1.00 0.00 C ATOM 0 H ILE A 18 11.277 7.286 8.427 1.00 0.00 H new ATOM 0 HA ILE A 18 14.037 6.248 8.535 1.00 0.00 H new ATOM 0 HB ILE A 18 11.881 6.014 10.672 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.468 8.356 10.433 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.155 7.722 11.915 1.00 0.00 H new ATOM 0 HG21 ILE A 18 13.764 5.335 12.106 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.569 4.242 10.715 1.00 0.00 H new ATOM 0 HG23 ILE A 18 14.865 5.461 10.714 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.751 9.170 10.758 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.354 7.496 10.815 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.656 8.140 9.310 1.00 0.00 H new ATOM 234 N CYS A 19 13.372 3.918 7.970 1.00 0.00 N ATOM 235 CA CYS A 19 12.998 2.583 7.521 1.00 0.00 C ATOM 236 C CYS A 19 12.132 1.881 8.564 1.00 0.00 C ATOM 237 O CYS A 19 12.208 2.185 9.754 1.00 0.00 O ATOM 238 CB CYS A 19 14.248 1.749 7.236 1.00 0.00 C ATOM 239 SG CYS A 19 13.923 0.211 6.316 1.00 0.00 S ATOM 0 H CYS A 19 14.373 4.111 7.931 1.00 0.00 H new ATOM 0 HA CYS A 19 12.420 2.685 6.603 1.00 0.00 H new ATOM 0 HB2 CYS A 19 14.955 2.356 6.670 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.728 1.499 8.182 1.00 0.00 H new ATOM 0 HG CYS A 19 14.952 -0.078 5.576 1.00 0.00 H new ATOM 244 N GLN A 20 11.312 0.940 8.107 1.00 0.00 N ATOM 245 CA GLN A 20 10.432 0.195 9.001 1.00 0.00 C ATOM 246 C GLN A 20 10.916 -1.242 9.167 1.00 0.00 C ATOM 247 O GLN A 20 10.143 -2.130 9.526 1.00 0.00 O ATOM 248 CB GLN A 20 9.000 0.205 8.465 1.00 0.00 C ATOM 249 CG GLN A 20 8.203 1.431 8.881 1.00 0.00 C ATOM 250 CD GLN A 20 7.727 1.357 10.318 1.00 0.00 C ATOM 251 OE1 GLN A 20 7.823 0.312 10.964 1.00 0.00 O ATOM 252 NE2 GLN A 20 7.209 2.468 10.829 1.00 0.00 N ATOM 0 H GLN A 20 11.238 0.675 7.125 1.00 0.00 H new ATOM 0 HA GLN A 20 10.450 0.680 9.977 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.028 0.152 7.377 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.484 -0.689 8.814 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.819 2.321 8.752 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.342 1.541 8.222 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.148 3.312 10.259 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.872 2.478 11.792 1.00 0.00 H new ATOM 261 N VAL A 21 12.200 -1.463 8.905 1.00 0.00 N ATOM 262 CA VAL A 21 12.787 -2.792 9.026 1.00 0.00 C ATOM 263 C VAL A 21 14.082 -2.749 9.829 1.00 0.00 C ATOM 264 O VAL A 21 14.327 -3.606 10.679 1.00 0.00 O ATOM 265 CB VAL A 21 13.073 -3.408 7.644 1.00 0.00 C ATOM 266 CG1 VAL A 21 13.713 -4.780 7.792 1.00 0.00 C ATOM 267 CG2 VAL A 21 11.794 -3.494 6.824 1.00 0.00 C ATOM 0 H VAL A 21 12.854 -0.739 8.608 1.00 0.00 H new ATOM 0 HA VAL A 21 12.059 -3.413 9.548 1.00 0.00 H new ATOM 0 HB VAL A 21 13.774 -2.761 7.116 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.908 -5.199 6.805 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.652 -4.687 8.338 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.039 -5.439 8.339 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.015 -3.932 5.850 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.068 -4.118 7.346 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.382 -2.494 6.687 1.00 0.00 H new ATOM 277 N CYS A 22 14.909 -1.746 9.554 1.00 0.00 N ATOM 278 CA CYS A 22 16.181 -1.590 10.250 1.00 0.00 C ATOM 279 C CYS A 22 16.193 -0.309 11.079 1.00 0.00 C ATOM 280 O CYS A 22 17.026 -0.142 11.970 1.00 0.00 O ATOM 281 CB CYS A 22 17.336 -1.573 9.248 1.00 0.00 C ATOM 282 SG CYS A 22 17.290 -0.173 8.083 1.00 0.00 S ATOM 0 H CYS A 22 14.721 -1.029 8.854 1.00 0.00 H new ATOM 0 HA CYS A 22 16.305 -2.439 10.922 1.00 0.00 H new ATOM 0 HB2 CYS A 22 18.278 -1.545 9.796 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.325 -2.504 8.681 1.00 0.00 H new ATOM 0 HG CYS A 22 16.132 -0.137 7.493 1.00 0.00 H new ATOM 287 N SER A 23 15.264 0.592 10.780 1.00 0.00 N ATOM 288 CA SER A 23 15.170 1.860 11.494 1.00 0.00 C ATOM 289 C SER A 23 16.419 2.705 11.268 1.00 0.00 C ATOM 290 O SER A 23 17.162 2.999 12.205 1.00 0.00 O ATOM 291 CB SER A 23 14.972 1.612 12.991 1.00 0.00 C ATOM 292 OG SER A 23 14.088 0.528 13.216 1.00 0.00 O ATOM 0 H SER A 23 14.565 0.468 10.048 1.00 0.00 H new ATOM 0 HA SER A 23 14.309 2.405 11.106 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.934 1.404 13.459 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.577 2.512 13.463 1.00 0.00 H new ATOM 0 HG SER A 23 13.980 0.389 14.180 1.00 0.00 H new ATOM 298 N ARG A 24 16.645 3.093 10.017 1.00 0.00 N ATOM 299 CA ARG A 24 17.805 3.904 9.666 1.00 0.00 C ATOM 300 C ARG A 24 17.377 5.192 8.968 1.00 0.00 C ATOM 301 O ARG A 24 16.188 5.437 8.769 1.00 0.00 O ATOM 302 CB ARG A 24 18.752 3.112 8.762 1.00 0.00 C ATOM 303 CG ARG A 24 19.724 2.226 9.525 1.00 0.00 C ATOM 304 CD ARG A 24 20.788 3.049 10.235 1.00 0.00 C ATOM 305 NE ARG A 24 21.528 2.258 11.214 1.00 0.00 N ATOM 306 CZ ARG A 24 22.446 2.768 12.028 1.00 0.00 C ATOM 307 NH1 ARG A 24 22.735 4.061 11.980 1.00 0.00 N ATOM 308 NH2 ARG A 24 23.077 1.984 12.893 1.00 0.00 N ATOM 0 H ARG A 24 16.040 2.859 9.230 1.00 0.00 H new ATOM 0 HA ARG A 24 18.326 4.166 10.587 1.00 0.00 H new ATOM 0 HB2 ARG A 24 18.162 2.492 8.087 1.00 0.00 H new ATOM 0 HB3 ARG A 24 19.318 3.809 8.143 1.00 0.00 H new ATOM 0 HG2 ARG A 24 19.178 1.628 10.255 1.00 0.00 H new ATOM 0 HG3 ARG A 24 20.201 1.529 8.836 1.00 0.00 H new ATOM 0 HD2 ARG A 24 21.482 3.457 9.500 1.00 0.00 H new ATOM 0 HD3 ARG A 24 20.318 3.896 10.734 1.00 0.00 H new ATOM 0 HE ARG A 24 21.329 1.259 11.276 1.00 0.00 H new ATOM 0 HH11 ARG A 24 22.252 4.667 11.317 1.00 0.00 H new ATOM 0 HH12 ARG A 24 23.440 4.450 12.606 1.00 0.00 H new ATOM 0 HH21 ARG A 24 22.857 0.989 12.933 1.00 0.00 H new ATOM 0 HH22 ARG A 24 23.782 2.377 13.517 1.00 0.00 H new ATOM 322 N GLY A 25 18.357 6.012 8.599 1.00 0.00 N ATOM 323 CA GLY A 25 18.061 7.265 7.929 1.00 0.00 C ATOM 324 C GLY A 25 19.046 7.574 6.818 1.00 0.00 C ATOM 325 O GLY A 25 18.660 8.057 5.754 1.00 0.00 O ATOM 0 H GLY A 25 19.349 5.831 8.752 1.00 0.00 H new ATOM 0 HA2 GLY A 25 17.053 7.224 7.516 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.074 8.075 8.658 1.00 0.00 H new ATOM 329 N ASP A 26 20.321 7.298 7.067 1.00 0.00 N ATOM 330 CA ASP A 26 21.365 7.551 6.080 1.00 0.00 C ATOM 331 C ASP A 26 21.097 6.774 4.795 1.00 0.00 C ATOM 332 O ASP A 26 21.588 7.136 3.726 1.00 0.00 O ATOM 333 CB ASP A 26 22.734 7.169 6.645 1.00 0.00 C ATOM 334 CG ASP A 26 23.731 8.308 6.564 1.00 0.00 C ATOM 335 OD1 ASP A 26 23.468 9.371 7.165 1.00 0.00 O ATOM 336 OD2 ASP A 26 24.775 8.138 5.899 1.00 0.00 O ATOM 0 H ASP A 26 20.657 6.899 7.944 1.00 0.00 H new ATOM 0 HA ASP A 26 21.361 8.616 5.848 1.00 0.00 H new ATOM 0 HB2 ASP A 26 22.622 6.861 7.685 1.00 0.00 H new ATOM 0 HB3 ASP A 26 23.123 6.310 6.098 1.00 0.00 H new ATOM 341 N GLU A 27 20.316 5.704 4.908 1.00 0.00 N ATOM 342 CA GLU A 27 19.985 4.875 3.755 1.00 0.00 C ATOM 343 C GLU A 27 18.808 5.463 2.982 1.00 0.00 C ATOM 344 O GLU A 27 18.377 4.910 1.970 1.00 0.00 O ATOM 345 CB GLU A 27 19.655 3.449 4.201 1.00 0.00 C ATOM 346 CG GLU A 27 20.881 2.576 4.405 1.00 0.00 C ATOM 347 CD GLU A 27 21.635 2.319 3.115 1.00 0.00 C ATOM 348 OE1 GLU A 27 21.010 2.402 2.037 1.00 0.00 O ATOM 349 OE2 GLU A 27 22.849 2.035 3.183 1.00 0.00 O ATOM 0 H GLU A 27 19.901 5.391 5.786 1.00 0.00 H new ATOM 0 HA GLU A 27 20.854 4.850 3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.090 3.490 5.132 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.009 2.985 3.456 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.548 3.055 5.122 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.576 1.624 4.839 1.00 0.00 H new ATOM 356 N ASP A 28 18.292 6.588 3.467 1.00 0.00 N ATOM 357 CA ASP A 28 17.165 7.252 2.823 1.00 0.00 C ATOM 358 C ASP A 28 17.419 7.426 1.329 1.00 0.00 C ATOM 359 O ASP A 28 16.482 7.475 0.531 1.00 0.00 O ATOM 360 CB ASP A 28 16.909 8.613 3.472 1.00 0.00 C ATOM 361 CG ASP A 28 18.059 9.579 3.264 1.00 0.00 C ATOM 362 OD1 ASP A 28 19.221 9.172 3.474 1.00 0.00 O ATOM 363 OD2 ASP A 28 17.797 10.741 2.889 1.00 0.00 O ATOM 0 H ASP A 28 18.637 7.059 4.304 1.00 0.00 H new ATOM 0 HA ASP A 28 16.283 6.625 2.953 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.997 9.044 3.058 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.741 8.477 4.540 1.00 0.00 H new ATOM 368 N ASP A 29 18.690 7.521 0.957 1.00 0.00 N ATOM 369 CA ASP A 29 19.068 7.690 -0.442 1.00 0.00 C ATOM 370 C ASP A 29 18.400 6.633 -1.316 1.00 0.00 C ATOM 371 O ASP A 29 18.141 6.862 -2.498 1.00 0.00 O ATOM 372 CB ASP A 29 20.587 7.611 -0.595 1.00 0.00 C ATOM 373 CG ASP A 29 21.244 8.977 -0.561 1.00 0.00 C ATOM 374 OD1 ASP A 29 21.060 9.700 0.441 1.00 0.00 O ATOM 375 OD2 ASP A 29 21.942 9.324 -1.537 1.00 0.00 O ATOM 0 H ASP A 29 19.477 7.484 1.605 1.00 0.00 H new ATOM 0 HA ASP A 29 18.729 8.673 -0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 29 20.998 6.993 0.204 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.829 7.118 -1.536 1.00 0.00 H new ATOM 380 N LYS A 30 18.125 5.474 -0.728 1.00 0.00 N ATOM 381 CA LYS A 30 17.488 4.380 -1.452 1.00 0.00 C ATOM 382 C LYS A 30 16.207 3.937 -0.752 1.00 0.00 C ATOM 383 O LYS A 30 15.839 2.763 -0.794 1.00 0.00 O ATOM 384 CB LYS A 30 18.449 3.196 -1.577 1.00 0.00 C ATOM 385 CG LYS A 30 19.519 3.391 -2.637 1.00 0.00 C ATOM 386 CD LYS A 30 20.480 2.214 -2.683 1.00 0.00 C ATOM 387 CE LYS A 30 20.750 1.770 -4.112 1.00 0.00 C ATOM 388 NZ LYS A 30 21.155 2.910 -4.980 1.00 0.00 N ATOM 0 H LYS A 30 18.333 5.268 0.249 1.00 0.00 H new ATOM 0 HA LYS A 30 17.231 4.738 -2.449 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.930 3.026 -0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.877 2.298 -1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.048 3.516 -3.612 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.073 4.307 -2.431 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.419 2.491 -2.203 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.065 1.382 -2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.535 1.014 -4.115 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.855 1.301 -4.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.734 2.557 -5.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.306 3.379 -5.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.708 3.591 -4.422 1.00 0.00 H new ATOM 402 N LEU A 31 15.532 4.884 -0.109 1.00 0.00 N ATOM 403 CA LEU A 31 14.291 4.592 0.599 1.00 0.00 C ATOM 404 C LEU A 31 13.094 4.674 -0.342 1.00 0.00 C ATOM 405 O LEU A 31 13.018 5.564 -1.190 1.00 0.00 O ATOM 406 CB LEU A 31 14.105 5.564 1.765 1.00 0.00 C ATOM 407 CG LEU A 31 14.303 4.980 3.165 1.00 0.00 C ATOM 408 CD1 LEU A 31 14.077 6.047 4.225 1.00 0.00 C ATOM 409 CD2 LEU A 31 13.369 3.799 3.386 1.00 0.00 C ATOM 0 H LEU A 31 15.824 5.860 -0.064 1.00 0.00 H new ATOM 0 HA LEU A 31 14.355 3.576 0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.803 6.392 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.100 5.982 1.706 1.00 0.00 H new ATOM 0 HG LEU A 31 15.330 4.626 3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.222 5.613 5.214 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.786 6.862 4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.060 6.432 4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.523 3.396 4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.335 4.128 3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.579 3.026 2.647 1.00 0.00 H new ATOM 421 N LEU A 32 12.160 3.743 -0.187 1.00 0.00 N ATOM 422 CA LEU A 32 10.964 3.711 -1.022 1.00 0.00 C ATOM 423 C LEU A 32 9.769 4.304 -0.283 1.00 0.00 C ATOM 424 O LEU A 32 9.732 4.321 0.947 1.00 0.00 O ATOM 425 CB LEU A 32 10.654 2.275 -1.448 1.00 0.00 C ATOM 426 CG LEU A 32 11.529 1.702 -2.563 1.00 0.00 C ATOM 427 CD1 LEU A 32 12.934 1.425 -2.050 1.00 0.00 C ATOM 428 CD2 LEU A 32 10.907 0.435 -3.131 1.00 0.00 C ATOM 0 H LEU A 32 12.207 2.999 0.510 1.00 0.00 H new ATOM 0 HA LEU A 32 11.154 4.314 -1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.746 1.630 -0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.614 2.229 -1.770 1.00 0.00 H new ATOM 0 HG LEU A 32 11.595 2.440 -3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.542 1.018 -2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.380 2.353 -1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.888 0.706 -1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.543 0.041 -3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.810 -0.309 -2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.922 0.664 -3.537 1.00 0.00 H new ATOM 440 N PHE A 33 8.791 4.787 -1.043 1.00 0.00 N ATOM 441 CA PHE A 33 7.593 5.380 -0.461 1.00 0.00 C ATOM 442 C PHE A 33 6.347 4.600 -0.869 1.00 0.00 C ATOM 443 O PHE A 33 6.127 4.332 -2.050 1.00 0.00 O ATOM 444 CB PHE A 33 7.458 6.841 -0.895 1.00 0.00 C ATOM 445 CG PHE A 33 8.734 7.623 -0.772 1.00 0.00 C ATOM 446 CD1 PHE A 33 9.471 7.591 0.401 1.00 0.00 C ATOM 447 CD2 PHE A 33 9.197 8.390 -1.828 1.00 0.00 C ATOM 448 CE1 PHE A 33 10.645 8.311 0.518 1.00 0.00 C ATOM 449 CE2 PHE A 33 10.371 9.112 -1.718 1.00 0.00 C ATOM 450 CZ PHE A 33 11.097 9.071 -0.544 1.00 0.00 C ATOM 0 H PHE A 33 8.805 4.779 -2.063 1.00 0.00 H new ATOM 0 HA PHE A 33 7.688 5.338 0.624 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.119 6.874 -1.930 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.687 7.321 -0.292 1.00 0.00 H new ATOM 0 HD1 PHE A 33 9.124 6.997 1.233 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.634 8.425 -2.749 1.00 0.00 H new ATOM 0 HE1 PHE A 33 11.209 8.280 1.439 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.720 9.707 -2.549 1.00 0.00 H new ATOM 0 HZ PHE A 33 12.016 9.632 -0.456 1.00 0.00 H new ATOM 460 N CYS A 34 5.534 4.237 0.118 1.00 0.00 N ATOM 461 CA CYS A 34 4.310 3.486 -0.135 1.00 0.00 C ATOM 462 C CYS A 34 3.171 4.420 -0.532 1.00 0.00 C ATOM 463 O CYS A 34 3.010 5.498 0.041 1.00 0.00 O ATOM 464 CB CYS A 34 3.916 2.680 1.104 1.00 0.00 C ATOM 465 SG CYS A 34 2.282 1.883 0.983 1.00 0.00 S ATOM 0 H CYS A 34 5.701 4.451 1.101 1.00 0.00 H new ATOM 0 HA CYS A 34 4.498 2.800 -0.961 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.670 1.913 1.281 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.923 3.340 1.971 1.00 0.00 H new ATOM 0 HG CYS A 34 2.288 0.775 1.664 1.00 0.00 H new ATOM 470 N ASP A 35 2.383 3.999 -1.515 1.00 0.00 N ATOM 471 CA ASP A 35 1.258 4.797 -1.988 1.00 0.00 C ATOM 472 C ASP A 35 -0.018 4.438 -1.233 1.00 0.00 C ATOM 473 O ASP A 35 -1.077 4.259 -1.833 1.00 0.00 O ATOM 474 CB ASP A 35 1.053 4.589 -3.489 1.00 0.00 C ATOM 475 CG ASP A 35 0.018 5.534 -4.069 1.00 0.00 C ATOM 476 OD1 ASP A 35 0.230 6.763 -3.997 1.00 0.00 O ATOM 477 OD2 ASP A 35 -1.003 5.045 -4.594 1.00 0.00 O ATOM 0 H ASP A 35 2.503 3.110 -2.000 1.00 0.00 H new ATOM 0 HA ASP A 35 1.485 5.847 -1.803 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.002 4.733 -4.006 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.744 3.560 -3.671 1.00 0.00 H new ATOM 482 N GLY A 36 0.091 4.333 0.088 1.00 0.00 N ATOM 483 CA GLY A 36 -1.061 3.994 0.903 1.00 0.00 C ATOM 484 C GLY A 36 -0.893 4.419 2.348 1.00 0.00 C ATOM 485 O GLY A 36 -1.843 4.881 2.982 1.00 0.00 O ATOM 0 H GLY A 36 0.957 4.477 0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.949 4.471 0.488 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.228 2.918 0.861 1.00 0.00 H new ATOM 489 N CYS A 37 0.317 4.260 2.873 1.00 0.00 N ATOM 490 CA CYS A 37 0.606 4.628 4.254 1.00 0.00 C ATOM 491 C CYS A 37 1.788 5.591 4.324 1.00 0.00 C ATOM 492 O CYS A 37 2.160 6.056 5.402 1.00 0.00 O ATOM 493 CB CYS A 37 0.903 3.378 5.085 1.00 0.00 C ATOM 494 SG CYS A 37 2.408 2.486 4.576 1.00 0.00 S ATOM 0 H CYS A 37 1.114 3.879 2.363 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.272 5.128 4.662 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.001 3.666 6.132 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.052 2.700 5.019 1.00 0.00 H new ATOM 0 HG CYS A 37 2.370 2.266 3.295 1.00 0.00 H new ATOM 499 N ASP A 38 2.373 5.886 3.169 1.00 0.00 N ATOM 500 CA ASP A 38 3.511 6.795 3.098 1.00 0.00 C ATOM 501 C ASP A 38 4.600 6.380 4.083 1.00 0.00 C ATOM 502 O ASP A 38 5.004 7.162 4.943 1.00 0.00 O ATOM 503 CB ASP A 38 3.065 8.229 3.387 1.00 0.00 C ATOM 504 CG ASP A 38 4.135 9.248 3.047 1.00 0.00 C ATOM 505 OD1 ASP A 38 4.514 9.337 1.860 1.00 0.00 O ATOM 506 OD2 ASP A 38 4.592 9.956 3.967 1.00 0.00 O ATOM 0 H ASP A 38 2.078 5.509 2.268 1.00 0.00 H new ATOM 0 HA ASP A 38 3.920 6.747 2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.164 8.448 2.815 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.803 8.319 4.441 1.00 0.00 H new ATOM 511 N ASP A 39 5.070 5.144 3.951 1.00 0.00 N ATOM 512 CA ASP A 39 6.111 4.625 4.829 1.00 0.00 C ATOM 513 C ASP A 39 7.465 4.627 4.126 1.00 0.00 C ATOM 514 O ASP A 39 7.576 5.036 2.971 1.00 0.00 O ATOM 515 CB ASP A 39 5.763 3.208 5.287 1.00 0.00 C ATOM 516 CG ASP A 39 4.942 3.196 6.562 1.00 0.00 C ATOM 517 OD1 ASP A 39 4.278 4.214 6.848 1.00 0.00 O ATOM 518 OD2 ASP A 39 4.966 2.171 7.274 1.00 0.00 O ATOM 0 H ASP A 39 4.746 4.484 3.244 1.00 0.00 H new ATOM 0 HA ASP A 39 6.173 5.275 5.702 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.210 2.700 4.497 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.683 2.644 5.445 1.00 0.00 H new ATOM 523 N ASN A 40 8.494 4.167 4.832 1.00 0.00 N ATOM 524 CA ASN A 40 9.841 4.117 4.276 1.00 0.00 C ATOM 525 C ASN A 40 10.402 2.700 4.335 1.00 0.00 C ATOM 526 O ASN A 40 10.495 2.102 5.408 1.00 0.00 O ATOM 527 CB ASN A 40 10.763 5.075 5.034 1.00 0.00 C ATOM 528 CG ASN A 40 10.039 6.318 5.512 1.00 0.00 C ATOM 529 OD1 ASN A 40 10.033 6.628 6.704 1.00 0.00 O ATOM 530 ND2 ASN A 40 9.423 7.038 4.582 1.00 0.00 N ATOM 0 H ASN A 40 8.420 3.824 5.790 1.00 0.00 H new ATOM 0 HA ASN A 40 9.788 4.424 3.231 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.195 4.557 5.891 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.591 5.366 4.387 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.919 7.885 4.844 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.454 6.744 3.606 1.00 0.00 H new ATOM 537 N TYR A 41 10.774 2.168 3.176 1.00 0.00 N ATOM 538 CA TYR A 41 11.324 0.820 3.095 1.00 0.00 C ATOM 539 C TYR A 41 12.489 0.766 2.112 1.00 0.00 C ATOM 540 O TYR A 41 12.399 1.276 0.995 1.00 0.00 O ATOM 541 CB TYR A 41 10.239 -0.171 2.672 1.00 0.00 C ATOM 542 CG TYR A 41 9.208 -0.435 3.746 1.00 0.00 C ATOM 543 CD1 TYR A 41 9.396 -1.441 4.686 1.00 0.00 C ATOM 544 CD2 TYR A 41 8.045 0.322 3.821 1.00 0.00 C ATOM 545 CE1 TYR A 41 8.457 -1.686 5.669 1.00 0.00 C ATOM 546 CE2 TYR A 41 7.101 0.085 4.802 1.00 0.00 C ATOM 547 CZ TYR A 41 7.311 -0.920 5.723 1.00 0.00 C ATOM 548 OH TYR A 41 6.372 -1.160 6.700 1.00 0.00 O ATOM 0 H TYR A 41 10.705 2.650 2.280 1.00 0.00 H new ATOM 0 HA TYR A 41 11.693 0.545 4.083 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.736 0.211 1.784 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.709 -1.114 2.392 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.292 -2.042 4.647 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.876 1.109 3.101 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.619 -2.473 6.391 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.203 0.684 4.847 1.00 0.00 H new ATOM 0 HH TYR A 41 5.626 -0.532 6.598 1.00 0.00 H new ATOM 558 N HIS A 42 13.584 0.142 2.536 1.00 0.00 N ATOM 559 CA HIS A 42 14.768 0.019 1.694 1.00 0.00 C ATOM 560 C HIS A 42 14.584 -1.083 0.655 1.00 0.00 C ATOM 561 O HIS A 42 13.541 -1.737 0.608 1.00 0.00 O ATOM 562 CB HIS A 42 16.001 -0.273 2.550 1.00 0.00 C ATOM 563 CG HIS A 42 16.351 0.836 3.494 1.00 0.00 C ATOM 564 ND1 HIS A 42 16.990 0.626 4.697 1.00 0.00 N ATOM 565 CD2 HIS A 42 16.149 2.171 3.404 1.00 0.00 C ATOM 566 CE1 HIS A 42 17.164 1.785 5.308 1.00 0.00 C ATOM 567 NE2 HIS A 42 16.663 2.738 4.544 1.00 0.00 N ATOM 0 H HIS A 42 13.675 -0.286 3.457 1.00 0.00 H new ATOM 0 HA HIS A 42 14.912 0.965 1.173 1.00 0.00 H new ATOM 0 HB2 HIS A 42 15.829 -1.185 3.122 1.00 0.00 H new ATOM 0 HB3 HIS A 42 16.851 -0.463 1.895 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.672 2.693 2.588 1.00 0.00 H new ATOM 0 HE1 HIS A 42 17.636 1.928 6.269 1.00 0.00 H new ATOM 0 HE2 HIS A 42 16.658 3.734 4.765 1.00 0.00 H new ATOM 575 N ILE A 43 15.601 -1.283 -0.176 1.00 0.00 N ATOM 576 CA ILE A 43 15.550 -2.306 -1.214 1.00 0.00 C ATOM 577 C ILE A 43 16.183 -3.608 -0.734 1.00 0.00 C ATOM 578 O ILE A 43 15.970 -4.668 -1.322 1.00 0.00 O ATOM 579 CB ILE A 43 16.266 -1.843 -2.496 1.00 0.00 C ATOM 580 CG1 ILE A 43 17.739 -1.549 -2.207 1.00 0.00 C ATOM 581 CG2 ILE A 43 15.578 -0.613 -3.071 1.00 0.00 C ATOM 582 CD1 ILE A 43 18.579 -1.386 -3.454 1.00 0.00 C ATOM 0 H ILE A 43 16.471 -0.750 -0.151 1.00 0.00 H new ATOM 0 HA ILE A 43 14.497 -2.477 -1.437 1.00 0.00 H new ATOM 0 HB ILE A 43 16.213 -2.644 -3.233 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.809 -0.640 -1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.151 -2.358 -1.604 1.00 0.00 H new ATOM 0 HG21 ILE A 43 16.095 -0.297 -3.977 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.542 -0.854 -3.310 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.603 0.194 -2.339 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.612 -1.180 -3.173 1.00 0.00 H new ATOM 0 HD12 ILE A 43 18.539 -2.303 -4.042 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.192 -0.558 -4.048 1.00 0.00 H new ATOM 594 N PHE A 44 16.961 -3.520 0.340 1.00 0.00 N ATOM 595 CA PHE A 44 17.625 -4.692 0.901 1.00 0.00 C ATOM 596 C PHE A 44 17.014 -5.071 2.247 1.00 0.00 C ATOM 597 O PHE A 44 17.584 -5.860 3.000 1.00 0.00 O ATOM 598 CB PHE A 44 19.122 -4.426 1.064 1.00 0.00 C ATOM 599 CG PHE A 44 19.430 -3.108 1.716 1.00 0.00 C ATOM 600 CD1 PHE A 44 19.539 -1.954 0.958 1.00 0.00 C ATOM 601 CD2 PHE A 44 19.609 -3.024 3.088 1.00 0.00 C ATOM 602 CE1 PHE A 44 19.821 -0.739 1.555 1.00 0.00 C ATOM 603 CE2 PHE A 44 19.891 -1.812 3.690 1.00 0.00 C ATOM 604 CZ PHE A 44 19.999 -0.669 2.923 1.00 0.00 C ATOM 0 H PHE A 44 17.147 -2.650 0.839 1.00 0.00 H new ATOM 0 HA PHE A 44 17.484 -5.524 0.211 1.00 0.00 H new ATOM 0 HB2 PHE A 44 19.563 -5.227 1.657 1.00 0.00 H new ATOM 0 HB3 PHE A 44 19.597 -4.457 0.083 1.00 0.00 H new ATOM 0 HD1 PHE A 44 19.402 -2.004 -0.112 1.00 0.00 H new ATOM 0 HD2 PHE A 44 19.527 -3.915 3.693 1.00 0.00 H new ATOM 0 HE1 PHE A 44 19.902 0.154 0.953 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.027 -1.759 4.760 1.00 0.00 H new ATOM 0 HZ PHE A 44 20.222 0.278 3.392 1.00 0.00 H new ATOM 614 N CYS A 45 15.850 -4.502 2.543 1.00 0.00 N ATOM 615 CA CYS A 45 15.160 -4.778 3.797 1.00 0.00 C ATOM 616 C CYS A 45 13.883 -5.576 3.552 1.00 0.00 C ATOM 617 O CYS A 45 13.398 -6.280 4.438 1.00 0.00 O ATOM 618 CB CYS A 45 14.827 -3.471 4.518 1.00 0.00 C ATOM 619 SG CYS A 45 16.231 -2.740 5.421 1.00 0.00 S ATOM 0 H CYS A 45 15.365 -3.846 1.931 1.00 0.00 H new ATOM 0 HA CYS A 45 15.824 -5.373 4.424 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.463 -2.748 3.788 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.013 -3.653 5.220 1.00 0.00 H new ATOM 0 HG CYS A 45 16.311 -1.472 5.146 1.00 0.00 H new ATOM 624 N LEU A 46 13.344 -5.462 2.343 1.00 0.00 N ATOM 625 CA LEU A 46 12.123 -6.174 1.979 1.00 0.00 C ATOM 626 C LEU A 46 12.378 -7.674 1.876 1.00 0.00 C ATOM 627 O LEU A 46 13.437 -8.164 2.269 1.00 0.00 O ATOM 628 CB LEU A 46 11.578 -5.645 0.652 1.00 0.00 C ATOM 629 CG LEU A 46 11.494 -4.124 0.519 1.00 0.00 C ATOM 630 CD1 LEU A 46 11.471 -3.716 -0.946 1.00 0.00 C ATOM 631 CD2 LEU A 46 10.264 -3.592 1.241 1.00 0.00 C ATOM 0 H LEU A 46 13.733 -4.884 1.598 1.00 0.00 H new ATOM 0 HA LEU A 46 11.384 -6.003 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.206 -6.026 -0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.581 -6.058 0.501 1.00 0.00 H new ATOM 0 HG LEU A 46 12.380 -3.689 0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.411 -2.630 -1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.381 -4.063 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.604 -4.162 -1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.221 -2.508 1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.367 -4.035 0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.322 -3.852 2.298 1.00 0.00 H new ATOM 643 N LEU A 47 11.401 -8.399 1.342 1.00 0.00 N ATOM 644 CA LEU A 47 11.519 -9.844 1.185 1.00 0.00 C ATOM 645 C LEU A 47 10.374 -10.395 0.341 1.00 0.00 C ATOM 646 O LEU A 47 9.234 -10.505 0.793 1.00 0.00 O ATOM 647 CB LEU A 47 11.534 -10.527 2.553 1.00 0.00 C ATOM 648 CG LEU A 47 12.502 -11.701 2.708 1.00 0.00 C ATOM 649 CD1 LEU A 47 12.991 -11.804 4.144 1.00 0.00 C ATOM 650 CD2 LEU A 47 11.838 -13.000 2.274 1.00 0.00 C ATOM 0 H LEU A 47 10.518 -8.010 1.011 1.00 0.00 H new ATOM 0 HA LEU A 47 12.458 -10.053 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.778 -9.779 3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.527 -10.882 2.770 1.00 0.00 H new ATOM 0 HG LEU A 47 13.364 -11.524 2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.679 -12.645 4.235 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.505 -10.883 4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.140 -11.958 4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.541 -13.825 2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 47 10.958 -13.183 2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.538 -12.924 1.229 1.00 0.00 H new ATOM 662 N PRO A 48 10.682 -10.753 -0.915 1.00 0.00 N ATOM 663 CA PRO A 48 12.036 -10.626 -1.464 1.00 0.00 C ATOM 664 C PRO A 48 12.442 -9.172 -1.674 1.00 0.00 C ATOM 665 O PRO A 48 11.615 -8.306 -1.963 1.00 0.00 O ATOM 666 CB PRO A 48 11.943 -11.355 -2.807 1.00 0.00 C ATOM 667 CG PRO A 48 10.504 -11.270 -3.185 1.00 0.00 C ATOM 668 CD PRO A 48 9.734 -11.308 -1.895 1.00 0.00 C ATOM 0 HA PRO A 48 12.789 -11.037 -0.792 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.578 -10.885 -3.558 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.269 -12.391 -2.718 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.299 -10.352 -3.735 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.221 -12.100 -3.833 1.00 0.00 H new ATOM 0 HD2 PRO A 48 8.822 -10.713 -1.954 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.436 -12.324 -1.635 1.00 0.00 H new ATOM 676 N PRO A 49 13.746 -8.894 -1.527 1.00 0.00 N ATOM 677 CA PRO A 49 14.292 -7.544 -1.697 1.00 0.00 C ATOM 678 C PRO A 49 14.257 -7.083 -3.150 1.00 0.00 C ATOM 679 O PRO A 49 13.993 -7.875 -4.057 1.00 0.00 O ATOM 680 CB PRO A 49 15.738 -7.682 -1.214 1.00 0.00 C ATOM 681 CG PRO A 49 16.068 -9.121 -1.414 1.00 0.00 C ATOM 682 CD PRO A 49 14.788 -9.876 -1.183 1.00 0.00 C ATOM 0 HA PRO A 49 13.715 -6.799 -1.149 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.409 -7.039 -1.784 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.835 -7.395 -0.167 1.00 0.00 H new ATOM 0 HG2 PRO A 49 16.449 -9.298 -2.420 1.00 0.00 H new ATOM 0 HG3 PRO A 49 16.842 -9.444 -0.718 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.726 -10.764 -1.812 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.700 -10.210 -0.149 1.00 0.00 H new ATOM 690 N LEU A 50 14.526 -5.801 -3.366 1.00 0.00 N ATOM 691 CA LEU A 50 14.527 -5.235 -4.711 1.00 0.00 C ATOM 692 C LEU A 50 15.931 -4.800 -5.118 1.00 0.00 C ATOM 693 O LEU A 50 16.807 -4.584 -4.281 1.00 0.00 O ATOM 694 CB LEU A 50 13.570 -4.043 -4.784 1.00 0.00 C ATOM 695 CG LEU A 50 12.090 -4.380 -4.967 1.00 0.00 C ATOM 696 CD1 LEU A 50 11.238 -3.127 -4.844 1.00 0.00 C ATOM 697 CD2 LEU A 50 11.859 -5.055 -6.311 1.00 0.00 C ATOM 0 H LEU A 50 14.746 -5.133 -2.627 1.00 0.00 H new ATOM 0 HA LEU A 50 14.191 -6.007 -5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.679 -3.459 -3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.881 -3.403 -5.610 1.00 0.00 H new ATOM 0 HG LEU A 50 11.795 -5.073 -4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.188 -3.387 -4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.380 -2.686 -3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.534 -2.409 -5.609 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.800 -5.288 -6.424 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.171 -4.386 -7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.440 -5.976 -6.360 1.00 0.00 H new ATOM 709 N PRO A 51 16.151 -4.668 -6.435 1.00 0.00 N ATOM 710 CA PRO A 51 17.446 -4.255 -6.983 1.00 0.00 C ATOM 711 C PRO A 51 17.764 -2.794 -6.683 1.00 0.00 C ATOM 712 O PRO A 51 18.905 -2.448 -6.378 1.00 0.00 O ATOM 713 CB PRO A 51 17.277 -4.468 -8.490 1.00 0.00 C ATOM 714 CG PRO A 51 15.810 -4.362 -8.725 1.00 0.00 C ATOM 715 CD PRO A 51 15.152 -4.910 -7.489 1.00 0.00 C ATOM 0 HA PRO A 51 18.271 -4.819 -6.549 1.00 0.00 H new ATOM 0 HB2 PRO A 51 17.825 -3.717 -9.060 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.658 -5.442 -8.797 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.516 -3.327 -8.897 1.00 0.00 H new ATOM 0 HG3 PRO A 51 15.514 -4.928 -9.608 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.212 -4.402 -7.276 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.925 -5.971 -7.591 1.00 0.00 H new ATOM 723 N GLU A 52 16.747 -1.942 -6.772 1.00 0.00 N ATOM 724 CA GLU A 52 16.921 -0.518 -6.510 1.00 0.00 C ATOM 725 C GLU A 52 15.576 0.204 -6.517 1.00 0.00 C ATOM 726 O GLU A 52 14.529 -0.415 -6.709 1.00 0.00 O ATOM 727 CB GLU A 52 17.852 0.105 -7.553 1.00 0.00 C ATOM 728 CG GLU A 52 17.288 0.083 -8.963 1.00 0.00 C ATOM 729 CD GLU A 52 18.062 0.974 -9.915 1.00 0.00 C ATOM 730 OE1 GLU A 52 17.753 2.182 -9.983 1.00 0.00 O ATOM 731 OE2 GLU A 52 18.979 0.463 -10.592 1.00 0.00 O ATOM 0 H GLU A 52 15.796 -2.213 -7.023 1.00 0.00 H new ATOM 0 HA GLU A 52 17.368 -0.408 -5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.061 1.137 -7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.803 -0.427 -7.543 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.299 -0.940 -9.339 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.246 0.402 -8.939 1.00 0.00 H new ATOM 738 N ILE A 53 15.614 1.515 -6.306 1.00 0.00 N ATOM 739 CA ILE A 53 14.400 2.321 -6.288 1.00 0.00 C ATOM 740 C ILE A 53 13.557 2.073 -7.535 1.00 0.00 C ATOM 741 O ILE A 53 14.051 2.094 -8.662 1.00 0.00 O ATOM 742 CB ILE A 53 14.723 3.824 -6.191 1.00 0.00 C ATOM 743 CG1 ILE A 53 15.157 4.183 -4.768 1.00 0.00 C ATOM 744 CG2 ILE A 53 13.517 4.653 -6.608 1.00 0.00 C ATOM 745 CD1 ILE A 53 14.038 4.097 -3.755 1.00 0.00 C ATOM 0 H ILE A 53 16.473 2.042 -6.145 1.00 0.00 H new ATOM 0 HA ILE A 53 13.836 2.021 -5.405 1.00 0.00 H new ATOM 0 HB ILE A 53 15.546 4.049 -6.870 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.964 3.516 -4.464 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.562 5.195 -4.765 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.761 5.713 -6.534 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.249 4.413 -7.637 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.676 4.428 -5.952 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.418 4.365 -2.769 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.240 4.785 -4.035 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.648 3.080 -3.729 1.00 0.00 H new ATOM 757 N PRO A 54 12.253 1.834 -7.330 1.00 0.00 N ATOM 758 CA PRO A 54 11.313 1.581 -8.426 1.00 0.00 C ATOM 759 C PRO A 54 11.054 2.826 -9.267 1.00 0.00 C ATOM 760 O PRO A 54 11.487 3.924 -8.918 1.00 0.00 O ATOM 761 CB PRO A 54 10.035 1.147 -7.704 1.00 0.00 C ATOM 762 CG PRO A 54 10.132 1.772 -6.355 1.00 0.00 C ATOM 763 CD PRO A 54 11.596 1.794 -6.013 1.00 0.00 C ATOM 0 HA PRO A 54 11.695 0.839 -9.128 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.146 1.487 -8.235 1.00 0.00 H new ATOM 0 HB3 PRO A 54 9.969 0.061 -7.634 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.718 2.780 -6.361 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.568 1.200 -5.618 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.854 2.663 -5.408 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.889 0.912 -5.444 1.00 0.00 H new ATOM 771 N ARG A 55 10.343 2.647 -10.376 1.00 0.00 N ATOM 772 CA ARG A 55 10.026 3.757 -11.267 1.00 0.00 C ATOM 773 C ARG A 55 8.645 4.326 -10.957 1.00 0.00 C ATOM 774 O ARG A 55 8.521 5.401 -10.373 1.00 0.00 O ATOM 775 CB ARG A 55 10.087 3.301 -12.726 1.00 0.00 C ATOM 776 CG ARG A 55 11.502 3.124 -13.251 1.00 0.00 C ATOM 777 CD ARG A 55 11.875 4.227 -14.229 1.00 0.00 C ATOM 778 NE ARG A 55 11.191 4.076 -15.511 1.00 0.00 N ATOM 779 CZ ARG A 55 11.594 4.663 -16.632 1.00 0.00 C ATOM 780 NH1 ARG A 55 12.670 5.437 -16.630 1.00 0.00 N ATOM 781 NH2 ARG A 55 10.919 4.477 -17.759 1.00 0.00 N ATOM 0 H ARG A 55 9.976 1.745 -10.679 1.00 0.00 H new ATOM 0 HA ARG A 55 10.766 4.541 -11.108 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.551 2.357 -12.825 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.567 4.030 -13.347 1.00 0.00 H new ATOM 0 HG2 ARG A 55 12.203 3.123 -12.417 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.590 2.155 -13.742 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.624 5.195 -13.796 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.953 4.219 -14.390 1.00 0.00 H new ATOM 0 HE ARG A 55 10.359 3.488 -15.547 1.00 0.00 H new ATOM 0 HH11 ARG A 55 13.191 5.583 -15.766 1.00 0.00 H new ATOM 0 HH12 ARG A 55 12.977 5.886 -17.493 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.090 3.883 -17.765 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.229 4.928 -18.620 1.00 0.00 H new ATOM 795 N GLY A 56 7.607 3.595 -11.354 1.00 0.00 N ATOM 796 CA GLY A 56 6.248 4.042 -11.111 1.00 0.00 C ATOM 797 C GLY A 56 5.897 4.055 -9.636 1.00 0.00 C ATOM 798 O GLY A 56 6.743 4.352 -8.793 1.00 0.00 O ATOM 0 H GLY A 56 7.684 2.701 -11.840 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.120 5.044 -11.521 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.554 3.390 -11.641 1.00 0.00 H new ATOM 802 N ILE A 57 4.646 3.734 -9.325 1.00 0.00 N ATOM 803 CA ILE A 57 4.185 3.710 -7.943 1.00 0.00 C ATOM 804 C ILE A 57 4.569 2.403 -7.258 1.00 0.00 C ATOM 805 O ILE A 57 4.338 1.319 -7.793 1.00 0.00 O ATOM 806 CB ILE A 57 2.658 3.894 -7.855 1.00 0.00 C ATOM 807 CG1 ILE A 57 2.249 5.238 -8.458 1.00 0.00 C ATOM 808 CG2 ILE A 57 2.195 3.793 -6.409 1.00 0.00 C ATOM 809 CD1 ILE A 57 0.752 5.414 -8.582 1.00 0.00 C ATOM 0 H ILE A 57 3.933 3.487 -10.012 1.00 0.00 H new ATOM 0 HA ILE A 57 4.672 4.541 -7.433 1.00 0.00 H new ATOM 0 HB ILE A 57 2.178 3.100 -8.426 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.651 6.041 -7.841 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.701 5.337 -9.445 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.114 3.925 -6.363 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.458 2.813 -6.010 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.681 4.568 -5.816 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.535 6.390 -9.017 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.346 4.632 -9.224 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.295 5.347 -7.595 1.00 0.00 H new ATOM 821 N TRP A 58 5.153 2.513 -6.070 1.00 0.00 N ATOM 822 CA TRP A 58 5.568 1.339 -5.310 1.00 0.00 C ATOM 823 C TRP A 58 4.815 1.253 -3.987 1.00 0.00 C ATOM 824 O TRP A 58 4.594 2.265 -3.322 1.00 0.00 O ATOM 825 CB TRP A 58 7.075 1.379 -5.052 1.00 0.00 C ATOM 826 CG TRP A 58 7.563 0.242 -4.207 1.00 0.00 C ATOM 827 CD1 TRP A 58 8.071 -0.947 -4.648 1.00 0.00 C ATOM 828 CD2 TRP A 58 7.587 0.185 -2.777 1.00 0.00 C ATOM 829 NE1 TRP A 58 8.410 -1.739 -3.577 1.00 0.00 N ATOM 830 CE2 TRP A 58 8.123 -1.067 -2.418 1.00 0.00 C ATOM 831 CE3 TRP A 58 7.210 1.071 -1.764 1.00 0.00 C ATOM 832 CZ2 TRP A 58 8.289 -1.452 -1.091 1.00 0.00 C ATOM 833 CZ3 TRP A 58 7.375 0.687 -0.447 1.00 0.00 C ATOM 834 CH2 TRP A 58 7.911 -0.565 -0.120 1.00 0.00 C ATOM 0 H TRP A 58 5.350 3.403 -5.612 1.00 0.00 H new ATOM 0 HA TRP A 58 5.331 0.453 -5.899 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.600 1.364 -6.007 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.328 2.320 -4.564 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.189 -1.224 -5.685 1.00 0.00 H new ATOM 0 HE1 TRP A 58 8.810 -2.675 -3.636 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.797 2.039 -2.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.702 -2.417 -0.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.086 1.364 0.344 1.00 0.00 H new ATOM 0 HH2 TRP A 58 8.028 -0.836 0.919 1.00 0.00 H new ATOM 845 N ARG A 59 4.424 0.040 -3.612 1.00 0.00 N ATOM 846 CA ARG A 59 3.694 -0.176 -2.368 1.00 0.00 C ATOM 847 C ARG A 59 4.485 -1.076 -1.423 1.00 0.00 C ATOM 848 O ARG A 59 5.386 -1.801 -1.848 1.00 0.00 O ATOM 849 CB ARG A 59 2.326 -0.798 -2.655 1.00 0.00 C ATOM 850 CG ARG A 59 1.168 0.171 -2.479 1.00 0.00 C ATOM 851 CD ARG A 59 -0.076 -0.536 -1.964 1.00 0.00 C ATOM 852 NE ARG A 59 -1.179 -0.467 -2.918 1.00 0.00 N ATOM 853 CZ ARG A 59 -2.443 -0.726 -2.600 1.00 0.00 C ATOM 854 NH1 ARG A 59 -2.761 -1.070 -1.360 1.00 0.00 N ATOM 855 NH2 ARG A 59 -3.391 -0.642 -3.524 1.00 0.00 N ATOM 0 H ARG A 59 4.600 -0.808 -4.151 1.00 0.00 H new ATOM 0 HA ARG A 59 3.552 0.792 -1.887 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.317 -1.180 -3.676 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.178 -1.652 -1.994 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.454 0.959 -1.783 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.946 0.652 -3.432 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.160 -1.580 -1.757 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.384 -0.086 -1.020 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.968 -0.206 -3.881 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.035 -1.136 -0.647 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.732 -1.268 -1.119 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.150 -0.378 -4.479 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.361 -0.841 -3.279 1.00 0.00 H new ATOM 869 N CYS A 60 4.144 -1.024 -0.140 1.00 0.00 N ATOM 870 CA CYS A 60 4.822 -1.833 0.866 1.00 0.00 C ATOM 871 C CYS A 60 4.058 -3.127 1.128 1.00 0.00 C ATOM 872 O CYS A 60 2.862 -3.238 0.856 1.00 0.00 O ATOM 873 CB CYS A 60 4.973 -1.044 2.168 1.00 0.00 C ATOM 874 SG CYS A 60 3.451 -0.956 3.165 1.00 0.00 S ATOM 0 H CYS A 60 3.401 -0.429 0.228 1.00 0.00 H new ATOM 0 HA CYS A 60 5.812 -2.087 0.486 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.761 -1.500 2.767 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.298 -0.031 1.931 1.00 0.00 H new ATOM 0 HG CYS A 60 3.258 0.269 3.555 1.00 0.00 H new ATOM 879 N PRO A 61 4.764 -4.131 1.670 1.00 0.00 N ATOM 880 CA PRO A 61 4.173 -5.436 1.982 1.00 0.00 C ATOM 881 C PRO A 61 3.193 -5.365 3.148 1.00 0.00 C ATOM 882 O PRO A 61 2.297 -6.200 3.272 1.00 0.00 O ATOM 883 CB PRO A 61 5.384 -6.295 2.353 1.00 0.00 C ATOM 884 CG PRO A 61 6.408 -5.321 2.826 1.00 0.00 C ATOM 885 CD PRO A 61 6.192 -4.070 2.020 1.00 0.00 C ATOM 0 HA PRO A 61 3.593 -5.830 1.147 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.134 -7.016 3.131 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.744 -6.863 1.495 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.295 -5.123 3.892 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.415 -5.711 2.679 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.426 -3.175 2.597 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.823 -4.051 1.131 1.00 0.00 H new ATOM 893 N LYS A 62 3.369 -4.362 4.002 1.00 0.00 N ATOM 894 CA LYS A 62 2.499 -4.179 5.158 1.00 0.00 C ATOM 895 C LYS A 62 1.108 -3.726 4.727 1.00 0.00 C ATOM 896 O LYS A 62 0.143 -3.845 5.483 1.00 0.00 O ATOM 897 CB LYS A 62 3.105 -3.156 6.121 1.00 0.00 C ATOM 898 CG LYS A 62 3.688 -3.775 7.380 1.00 0.00 C ATOM 899 CD LYS A 62 2.715 -3.693 8.544 1.00 0.00 C ATOM 900 CE LYS A 62 3.384 -4.071 9.857 1.00 0.00 C ATOM 901 NZ LYS A 62 3.006 -3.143 10.959 1.00 0.00 N ATOM 0 H LYS A 62 4.107 -3.663 3.915 1.00 0.00 H new ATOM 0 HA LYS A 62 2.407 -5.138 5.667 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.888 -2.602 5.603 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.337 -2.436 6.403 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.942 -4.818 7.190 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.614 -3.264 7.642 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.316 -2.681 8.616 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.870 -4.357 8.361 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.104 -5.089 10.127 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.466 -4.061 9.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.482 -3.434 11.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.296 -2.175 10.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.976 -3.171 11.098 1.00 0.00 H new ATOM 915 N CYS A 63 1.012 -3.207 3.507 1.00 0.00 N ATOM 916 CA CYS A 63 -0.261 -2.737 2.975 1.00 0.00 C ATOM 917 C CYS A 63 -0.840 -3.742 1.983 1.00 0.00 C ATOM 918 O CYS A 63 -2.041 -4.014 1.989 1.00 0.00 O ATOM 919 CB CYS A 63 -0.083 -1.378 2.295 1.00 0.00 C ATOM 920 SG CYS A 63 -0.045 0.031 3.449 1.00 0.00 S ATOM 0 H CYS A 63 1.801 -3.102 2.869 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.957 -2.631 3.807 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.844 -1.389 1.721 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.896 -1.230 1.584 1.00 0.00 H new ATOM 0 HG CYS A 63 1.181 0.439 3.595 1.00 0.00 H new ATOM 925 N ILE A 64 0.022 -4.290 1.133 1.00 0.00 N ATOM 926 CA ILE A 64 -0.403 -5.266 0.137 1.00 0.00 C ATOM 927 C ILE A 64 -0.872 -6.557 0.797 1.00 0.00 C ATOM 928 O ILE A 64 -1.910 -7.113 0.433 1.00 0.00 O ATOM 929 CB ILE A 64 0.731 -5.590 -0.853 1.00 0.00 C ATOM 930 CG1 ILE A 64 1.211 -4.315 -1.549 1.00 0.00 C ATOM 931 CG2 ILE A 64 0.264 -6.615 -1.876 1.00 0.00 C ATOM 932 CD1 ILE A 64 2.581 -4.447 -2.175 1.00 0.00 C ATOM 0 H ILE A 64 1.019 -4.075 1.114 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.234 -4.818 -0.409 1.00 0.00 H new ATOM 0 HB ILE A 64 1.567 -6.014 -0.298 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.493 -4.040 -2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.228 -3.500 -0.825 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.077 -6.834 -2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.033 -7.530 -1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.587 -6.216 -2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.856 -3.505 -2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.311 -4.691 -1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.564 -5.240 -2.923 1.00 0.00 H new ATOM 944 N LEU A 65 -0.103 -7.030 1.771 1.00 0.00 N ATOM 945 CA LEU A 65 -0.440 -8.257 2.486 1.00 0.00 C ATOM 946 C LEU A 65 -1.727 -8.085 3.285 1.00 0.00 C ATOM 947 O LEU A 65 -2.346 -9.064 3.702 1.00 0.00 O ATOM 948 CB LEU A 65 0.704 -8.658 3.419 1.00 0.00 C ATOM 949 CG LEU A 65 2.023 -9.034 2.742 1.00 0.00 C ATOM 950 CD1 LEU A 65 3.127 -9.193 3.775 1.00 0.00 C ATOM 951 CD2 LEU A 65 1.860 -10.311 1.931 1.00 0.00 C ATOM 0 H LEU A 65 0.759 -6.583 2.084 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.594 -9.047 1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.893 -7.832 4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.374 -9.504 4.022 1.00 0.00 H new ATOM 0 HG LEU A 65 2.304 -8.229 2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.058 -9.461 3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.261 -8.254 4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.855 -9.979 4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.808 -10.564 1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.556 -11.124 2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.099 -10.161 1.165 1.00 0.00 H new ATOM 963 N ALA A 66 -2.126 -6.835 3.493 1.00 0.00 N ATOM 964 CA ALA A 66 -3.342 -6.535 4.239 1.00 0.00 C ATOM 965 C ALA A 66 -4.546 -6.431 3.308 1.00 0.00 C ATOM 966 O ALA A 66 -5.596 -7.015 3.570 1.00 0.00 O ATOM 967 CB ALA A 66 -3.172 -5.247 5.031 1.00 0.00 C ATOM 0 H ALA A 66 -1.625 -6.013 3.155 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.523 -7.355 4.934 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.088 -5.036 5.583 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.344 -5.357 5.731 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.963 -4.424 4.347 1.00 0.00 H new ATOM 973 N GLU A 67 -4.384 -5.683 2.221 1.00 0.00 N ATOM 974 CA GLU A 67 -5.458 -5.502 1.252 1.00 0.00 C ATOM 975 C GLU A 67 -5.694 -6.782 0.455 1.00 0.00 C ATOM 976 O GLU A 67 -6.811 -7.054 0.014 1.00 0.00 O ATOM 977 CB GLU A 67 -5.129 -4.349 0.301 1.00 0.00 C ATOM 978 CG GLU A 67 -3.932 -4.622 -0.594 1.00 0.00 C ATOM 979 CD GLU A 67 -4.333 -4.960 -2.017 1.00 0.00 C ATOM 980 OE1 GLU A 67 -4.777 -6.103 -2.252 1.00 0.00 O ATOM 981 OE2 GLU A 67 -4.202 -4.082 -2.895 1.00 0.00 O ATOM 0 H GLU A 67 -3.520 -5.193 1.990 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.369 -5.263 1.800 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.999 -4.144 -0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.937 -3.450 0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.282 -3.747 -0.602 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.353 -5.446 -0.178 1.00 0.00 H new ATOM 988 N CYS A 68 -4.634 -7.562 0.274 1.00 0.00 N ATOM 989 CA CYS A 68 -4.724 -8.813 -0.471 1.00 0.00 C ATOM 990 C CYS A 68 -5.850 -9.688 0.070 1.00 0.00 C ATOM 991 O CYS A 68 -6.765 -10.065 -0.662 1.00 0.00 O ATOM 992 CB CYS A 68 -3.397 -9.569 -0.402 1.00 0.00 C ATOM 993 SG CYS A 68 -2.296 -9.257 -1.802 1.00 0.00 S ATOM 0 H CYS A 68 -3.703 -7.351 0.633 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.943 -8.572 -1.511 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -2.883 -9.295 0.519 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.603 -10.638 -0.346 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.199 -9.939 -1.652 1.00 0.00 H new