USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 550 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 24 ASN : amide:sc= -7.51! C(o=-10!,f=-15!) USER MOD Set 1.2: A 78 GLN : amide:sc= -2.99! C(o=-10!,f=-9.7!) USER MOD Set 2.1: A 16 SER OG : rot 110:sc= 1.09 USER MOD Set 2.2: A 56 GLN : amide:sc= -4.21! C(o=-3.1!,f=-4.9!) USER MOD Single : A 22 ASN : amide:sc= 0.981 K(o=0.98,f=0) USER MOD Single : A 25 THR OG1 : rot -87:sc= -0.691 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 8:sc= 0.341! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= -1.15 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 7:sc= -4.54! USER MOD Single : A 47 SER OG : rot 180:sc= -0.271 USER MOD Single : A 49 HIS : no HE2:sc= -1.34 K(o=-1.3,f=-2.7!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot -155:sc= -4.7! USER MOD Single : A 59 ASN : amide:sc= -1.9! C(o=-1.9!,f=-2.4!) USER MOD Single : A 62 ASN : amide:sc= -0.192 K(o=-0.19,f=-2.2!) USER MOD Single : A 74 MET CE :methyl 158:sc= 0 (180deg=-0.469) USER MOD Single : A 83 ASN : amide:sc= -2.66! C(o=-2.7!,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 194 N SER A 16 8.985 -0.402 6.354 1.00 0.00 N ATOM 195 CA SER A 16 8.229 0.436 5.439 1.00 0.00 C ATOM 196 C SER A 16 7.431 -0.437 4.468 1.00 0.00 C ATOM 197 O SER A 16 7.970 -0.916 3.472 1.00 0.00 O ATOM 198 CB SER A 16 9.152 1.381 4.667 1.00 0.00 C ATOM 199 OG SER A 16 10.284 0.701 4.132 1.00 0.00 O ATOM 0 HA SER A 16 7.538 1.044 6.023 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.595 1.851 3.857 1.00 0.00 H new ATOM 0 HB3 SER A 16 9.488 2.180 5.328 1.00 0.00 H new ATOM 0 HG SER A 16 10.206 0.653 3.156 1.00 0.00 H new ATOM 205 N ARG A 17 6.159 -0.616 4.793 1.00 0.00 N ATOM 206 CA ARG A 17 5.281 -1.423 3.962 1.00 0.00 C ATOM 207 C ARG A 17 3.880 -0.809 3.918 1.00 0.00 C ATOM 208 O ARG A 17 3.291 -0.524 4.959 1.00 0.00 O ATOM 209 CB ARG A 17 5.187 -2.856 4.489 1.00 0.00 C ATOM 210 CG ARG A 17 5.356 -3.869 3.356 1.00 0.00 C ATOM 211 CD ARG A 17 5.167 -5.299 3.866 1.00 0.00 C ATOM 212 NE ARG A 17 6.407 -5.770 4.524 1.00 0.00 N ATOM 213 CZ ARG A 17 6.700 -5.557 5.814 1.00 0.00 C ATOM 214 NH1 ARG A 17 5.845 -4.880 6.592 1.00 0.00 N ATOM 215 NH2 ARG A 17 7.848 -6.021 6.325 1.00 0.00 N ATOM 0 H ARG A 17 5.715 -0.216 5.620 1.00 0.00 H new ATOM 0 HA ARG A 17 5.703 -1.445 2.957 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.954 -3.020 5.246 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.223 -3.006 4.975 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.633 -3.662 2.567 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.347 -3.765 2.915 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.335 -5.336 4.570 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.912 -5.959 3.037 1.00 0.00 H new ATOM 0 HE ARG A 17 7.080 -6.289 3.960 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.971 -4.527 6.202 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.068 -4.718 7.574 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.499 -6.536 5.732 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.071 -5.859 7.307 1.00 0.00 H new ATOM 229 N VAL A 18 3.387 -0.625 2.702 1.00 0.00 N ATOM 230 CA VAL A 18 2.067 -0.050 2.509 1.00 0.00 C ATOM 231 C VAL A 18 1.141 -1.104 1.898 1.00 0.00 C ATOM 232 O VAL A 18 1.521 -1.798 0.956 1.00 0.00 O ATOM 233 CB VAL A 18 2.167 1.220 1.662 1.00 0.00 C ATOM 234 CG1 VAL A 18 0.793 1.870 1.484 1.00 0.00 C ATOM 235 CG2 VAL A 18 3.166 2.207 2.270 1.00 0.00 C ATOM 0 H VAL A 18 3.878 -0.864 1.841 1.00 0.00 H new ATOM 0 HA VAL A 18 1.637 0.247 3.466 1.00 0.00 H new ATOM 0 HB VAL A 18 2.534 0.937 0.675 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.892 2.771 0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.121 1.170 0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.385 2.132 2.460 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.218 3.101 1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.842 2.481 3.274 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.151 1.743 2.321 1.00 0.00 H new ATOM 245 N PHE A 19 -0.056 -1.192 2.460 1.00 0.00 N ATOM 246 CA PHE A 19 -1.038 -2.150 1.982 1.00 0.00 C ATOM 247 C PHE A 19 -2.119 -1.458 1.150 1.00 0.00 C ATOM 248 O PHE A 19 -3.044 -0.861 1.699 1.00 0.00 O ATOM 249 CB PHE A 19 -1.687 -2.779 3.217 1.00 0.00 C ATOM 250 CG PHE A 19 -3.073 -3.373 2.958 1.00 0.00 C ATOM 251 CD1 PHE A 19 -3.334 -4.001 1.780 1.00 0.00 C ATOM 252 CD2 PHE A 19 -4.044 -3.272 3.904 1.00 0.00 C ATOM 253 CE1 PHE A 19 -4.620 -4.552 1.539 1.00 0.00 C ATOM 254 CE2 PHE A 19 -5.330 -3.823 3.663 1.00 0.00 C ATOM 255 CZ PHE A 19 -5.591 -4.452 2.486 1.00 0.00 C ATOM 0 H PHE A 19 -0.368 -0.616 3.242 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.554 -2.896 1.352 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.033 -3.563 3.599 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.767 -2.022 3.998 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.563 -4.080 1.028 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.837 -2.773 4.839 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.827 -5.051 0.604 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.101 -3.743 4.415 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.569 -4.872 2.303 1.00 0.00 H new ATOM 265 N ILE A 20 -1.967 -1.560 -0.162 1.00 0.00 N ATOM 266 CA ILE A 20 -2.918 -0.952 -1.076 1.00 0.00 C ATOM 267 C ILE A 20 -4.100 -1.901 -1.283 1.00 0.00 C ATOM 268 O ILE A 20 -3.919 -3.036 -1.721 1.00 0.00 O ATOM 269 CB ILE A 20 -2.225 -0.541 -2.377 1.00 0.00 C ATOM 270 CG1 ILE A 20 -1.028 0.370 -2.097 1.00 0.00 C ATOM 271 CG2 ILE A 20 -3.217 0.099 -3.349 1.00 0.00 C ATOM 272 CD1 ILE A 20 0.279 -0.287 -2.547 1.00 0.00 C ATOM 0 H ILE A 20 -1.198 -2.055 -0.614 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.318 -0.032 -0.651 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.840 -1.441 -2.857 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.160 1.319 -2.616 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.978 0.594 -1.031 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.698 0.382 -4.265 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.007 -0.614 -3.585 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.654 0.986 -2.891 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.114 0.382 -2.336 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.420 -1.224 -2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.236 -0.487 -3.618 1.00 0.00 H new ATOM 284 N GLY A 21 -5.283 -1.402 -0.956 1.00 0.00 N ATOM 285 CA GLY A 21 -6.494 -2.192 -1.100 1.00 0.00 C ATOM 286 C GLY A 21 -7.470 -1.526 -2.072 1.00 0.00 C ATOM 287 O GLY A 21 -7.255 -0.391 -2.494 1.00 0.00 O ATOM 0 H GLY A 21 -5.429 -0.460 -0.592 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.241 -3.190 -1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.970 -2.315 -0.127 1.00 0.00 H new ATOM 291 N ASN A 22 -8.523 -2.261 -2.400 1.00 0.00 N ATOM 292 CA ASN A 22 -9.533 -1.757 -3.315 1.00 0.00 C ATOM 293 C ASN A 22 -8.848 -1.028 -4.473 1.00 0.00 C ATOM 294 O ASN A 22 -9.190 0.112 -4.782 1.00 0.00 O ATOM 295 CB ASN A 22 -10.462 -0.763 -2.615 1.00 0.00 C ATOM 296 CG ASN A 22 -11.859 -0.787 -3.238 1.00 0.00 C ATOM 297 OD1 ASN A 22 -12.619 -1.730 -3.086 1.00 0.00 O ATOM 298 ND2 ASN A 22 -12.154 0.299 -3.947 1.00 0.00 N ATOM 0 H ASN A 22 -8.698 -3.202 -2.048 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.116 -2.605 -3.675 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.528 -1.006 -1.555 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.045 0.242 -2.686 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.063 0.379 -4.404 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.472 1.052 -4.034 1.00 0.00 H new ATOM 305 N LEU A 23 -7.892 -1.716 -5.080 1.00 0.00 N ATOM 306 CA LEU A 23 -7.156 -1.148 -6.197 1.00 0.00 C ATOM 307 C LEU A 23 -7.647 -1.782 -7.500 1.00 0.00 C ATOM 308 O LEU A 23 -7.460 -2.978 -7.722 1.00 0.00 O ATOM 309 CB LEU A 23 -5.649 -1.290 -5.973 1.00 0.00 C ATOM 310 CG LEU A 23 -4.754 -0.443 -6.880 1.00 0.00 C ATOM 311 CD1 LEU A 23 -3.391 -1.109 -7.081 1.00 0.00 C ATOM 312 CD2 LEU A 23 -5.448 -0.143 -8.210 1.00 0.00 C ATOM 0 H LEU A 23 -7.610 -2.661 -4.820 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.344 -0.077 -6.273 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.430 -1.033 -4.937 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.379 -2.338 -6.105 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.576 0.513 -6.388 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.774 -0.487 -7.729 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.898 -1.228 -6.116 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.528 -2.088 -7.541 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.790 0.460 -8.836 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.677 -1.079 -8.720 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.372 0.403 -8.023 1.00 0.00 H new ATOM 324 N ASN A 24 -8.264 -0.953 -8.329 1.00 0.00 N ATOM 325 CA ASN A 24 -8.782 -1.418 -9.604 1.00 0.00 C ATOM 326 C ASN A 24 -7.623 -1.910 -10.473 1.00 0.00 C ATOM 327 O ASN A 24 -7.158 -1.193 -11.358 1.00 0.00 O ATOM 328 CB ASN A 24 -9.489 -0.288 -10.356 1.00 0.00 C ATOM 329 CG ASN A 24 -10.869 -0.734 -10.845 1.00 0.00 C ATOM 330 OD1 ASN A 24 -11.881 -0.536 -10.194 1.00 0.00 O ATOM 331 ND2 ASN A 24 -10.852 -1.347 -12.026 1.00 0.00 N ATOM 0 H ASN A 24 -8.417 0.038 -8.142 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.492 -2.221 -9.406 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.593 0.579 -9.703 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.882 0.024 -11.206 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.722 -1.683 -12.439 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -9.969 -1.480 -12.519 1.00 0.00 H new ATOM 338 N THR A 25 -7.188 -3.129 -10.189 1.00 0.00 N ATOM 339 CA THR A 25 -6.092 -3.725 -10.933 1.00 0.00 C ATOM 340 C THR A 25 -6.565 -4.165 -12.319 1.00 0.00 C ATOM 341 O THR A 25 -5.798 -4.744 -13.086 1.00 0.00 O ATOM 342 CB THR A 25 -5.519 -4.869 -10.095 1.00 0.00 C ATOM 343 OG1 THR A 25 -6.555 -5.847 -10.087 1.00 0.00 O ATOM 344 CG2 THR A 25 -5.354 -4.490 -8.621 1.00 0.00 C ATOM 0 H THR A 25 -7.575 -3.720 -9.453 1.00 0.00 H new ATOM 0 HA THR A 25 -5.296 -3.002 -11.111 1.00 0.00 H new ATOM 0 HB THR A 25 -4.554 -5.169 -10.503 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.173 -5.663 -9.349 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.944 -5.337 -8.071 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.676 -3.641 -8.537 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.324 -4.222 -8.203 1.00 0.00 H new ATOM 352 N LEU A 26 -7.827 -3.874 -12.599 1.00 0.00 N ATOM 353 CA LEU A 26 -8.412 -4.232 -13.880 1.00 0.00 C ATOM 354 C LEU A 26 -8.166 -3.103 -14.882 1.00 0.00 C ATOM 355 O LEU A 26 -8.447 -3.251 -16.070 1.00 0.00 O ATOM 356 CB LEU A 26 -9.889 -4.594 -13.711 1.00 0.00 C ATOM 357 CG LEU A 26 -10.222 -6.087 -13.745 1.00 0.00 C ATOM 358 CD1 LEU A 26 -11.671 -6.335 -13.321 1.00 0.00 C ATOM 359 CD2 LEU A 26 -9.917 -6.686 -15.119 1.00 0.00 C ATOM 0 H LEU A 26 -8.461 -3.394 -11.960 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.932 -5.125 -14.282 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.236 -4.186 -12.762 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.457 -4.097 -14.498 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.583 -6.596 -13.023 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.882 -7.404 -13.354 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.821 -5.967 -12.306 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.344 -5.811 -14.000 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.163 -7.748 -15.116 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.513 -6.178 -15.878 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.858 -6.559 -15.344 1.00 0.00 H new ATOM 371 N VAL A 27 -7.643 -2.000 -14.366 1.00 0.00 N ATOM 372 CA VAL A 27 -7.355 -0.847 -15.201 1.00 0.00 C ATOM 373 C VAL A 27 -6.005 -0.252 -14.795 1.00 0.00 C ATOM 374 O VAL A 27 -5.148 -0.012 -15.645 1.00 0.00 O ATOM 375 CB VAL A 27 -8.503 0.162 -15.114 1.00 0.00 C ATOM 376 CG1 VAL A 27 -9.708 -0.306 -15.932 1.00 0.00 C ATOM 377 CG2 VAL A 27 -8.896 0.420 -13.658 1.00 0.00 C ATOM 0 H VAL A 27 -7.411 -1.881 -13.380 1.00 0.00 H new ATOM 0 HA VAL A 27 -7.278 -1.143 -16.247 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.155 1.103 -15.540 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.509 0.429 -15.853 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.418 -0.416 -16.977 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.057 -1.265 -15.550 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.713 1.140 -13.624 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.216 -0.514 -13.196 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.039 0.818 -13.115 1.00 0.00 H new ATOM 387 N VAL A 28 -5.858 -0.032 -13.497 1.00 0.00 N ATOM 388 CA VAL A 28 -4.626 0.529 -12.968 1.00 0.00 C ATOM 389 C VAL A 28 -3.494 -0.487 -13.136 1.00 0.00 C ATOM 390 O VAL A 28 -3.733 -1.693 -13.132 1.00 0.00 O ATOM 391 CB VAL A 28 -4.830 0.963 -11.515 1.00 0.00 C ATOM 392 CG1 VAL A 28 -3.729 1.928 -11.072 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.215 1.581 -11.317 1.00 0.00 C ATOM 0 H VAL A 28 -6.571 -0.232 -12.796 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.344 1.424 -13.524 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.768 0.074 -10.887 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.897 2.221 -10.036 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.759 1.438 -11.157 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.745 2.814 -11.707 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.334 1.881 -10.276 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.319 2.455 -11.960 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.980 0.848 -11.573 1.00 0.00 H new ATOM 403 N LYS A 29 -2.287 0.039 -13.280 1.00 0.00 N ATOM 404 CA LYS A 29 -1.117 -0.806 -13.449 1.00 0.00 C ATOM 405 C LYS A 29 -0.199 -0.648 -12.235 1.00 0.00 C ATOM 406 O LYS A 29 -0.529 0.070 -11.293 1.00 0.00 O ATOM 407 CB LYS A 29 -0.430 -0.510 -14.783 1.00 0.00 C ATOM 408 CG LYS A 29 -0.705 -1.619 -15.801 1.00 0.00 C ATOM 409 CD LYS A 29 0.378 -2.698 -15.741 1.00 0.00 C ATOM 410 CE LYS A 29 0.028 -3.770 -14.707 1.00 0.00 C ATOM 411 NZ LYS A 29 0.119 -5.119 -15.307 1.00 0.00 N ATOM 0 H LYS A 29 -2.094 1.040 -13.283 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.408 -1.855 -13.494 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.784 0.444 -15.175 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.645 -0.412 -14.629 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.680 -2.065 -15.604 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.746 -1.195 -16.804 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.493 -3.158 -16.722 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.336 -2.243 -15.488 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.705 -3.698 -13.856 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.980 -3.602 -14.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.122 -5.834 -14.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.545 -5.190 -16.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.088 -5.283 -15.648 1.00 0.00 H new ATOM 425 N LYS A 30 0.935 -1.331 -12.298 1.00 0.00 N ATOM 426 CA LYS A 30 1.903 -1.275 -11.216 1.00 0.00 C ATOM 427 C LYS A 30 2.651 0.058 -11.275 1.00 0.00 C ATOM 428 O LYS A 30 2.834 0.717 -10.252 1.00 0.00 O ATOM 429 CB LYS A 30 2.821 -2.498 -11.256 1.00 0.00 C ATOM 430 CG LYS A 30 3.087 -3.030 -9.846 1.00 0.00 C ATOM 431 CD LYS A 30 2.686 -4.502 -9.730 1.00 0.00 C ATOM 432 CE LYS A 30 3.907 -5.414 -9.860 1.00 0.00 C ATOM 433 NZ LYS A 30 4.165 -5.737 -11.281 1.00 0.00 N ATOM 0 H LYS A 30 1.205 -1.926 -13.081 1.00 0.00 H new ATOM 0 HA LYS A 30 1.399 -1.315 -10.251 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.365 -3.280 -11.864 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.765 -2.233 -11.733 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.144 -2.917 -9.604 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.529 -2.439 -9.119 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.199 -4.675 -8.771 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.960 -4.747 -10.505 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.780 -4.926 -9.428 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.744 -6.332 -9.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.997 -6.357 -11.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.337 -6.222 -11.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.342 -4.859 -11.810 1.00 0.00 H new ATOM 447 N SER A 31 3.062 0.417 -12.482 1.00 0.00 N ATOM 448 CA SER A 31 3.786 1.660 -12.688 1.00 0.00 C ATOM 449 C SER A 31 2.951 2.840 -12.189 1.00 0.00 C ATOM 450 O SER A 31 3.498 3.856 -11.762 1.00 0.00 O ATOM 451 CB SER A 31 4.147 1.850 -14.162 1.00 0.00 C ATOM 452 OG SER A 31 5.391 1.239 -14.491 1.00 0.00 O ATOM 0 H SER A 31 2.907 -0.131 -13.328 1.00 0.00 H new ATOM 0 HA SER A 31 4.714 1.614 -12.119 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.359 1.427 -14.785 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.195 2.915 -14.389 1.00 0.00 H new ATOM 0 HG SER A 31 5.584 1.382 -15.441 1.00 0.00 H new ATOM 458 N ASP A 32 1.639 2.668 -12.260 1.00 0.00 N ATOM 459 CA ASP A 32 0.723 3.707 -11.821 1.00 0.00 C ATOM 460 C ASP A 32 0.779 3.819 -10.296 1.00 0.00 C ATOM 461 O ASP A 32 0.575 4.898 -9.742 1.00 0.00 O ATOM 462 CB ASP A 32 -0.717 3.375 -12.218 1.00 0.00 C ATOM 463 CG ASP A 32 -1.591 4.585 -12.552 1.00 0.00 C ATOM 464 OD1 ASP A 32 -1.112 5.432 -13.336 1.00 0.00 O ATOM 465 OD2 ASP A 32 -2.718 4.637 -12.014 1.00 0.00 O ATOM 0 H ASP A 32 1.189 1.825 -12.615 1.00 0.00 H new ATOM 0 HA ASP A 32 1.021 4.642 -12.295 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.696 2.711 -13.082 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.184 2.822 -11.403 1.00 0.00 H new ATOM 470 N VAL A 33 1.056 2.690 -9.661 1.00 0.00 N ATOM 471 CA VAL A 33 1.142 2.648 -8.211 1.00 0.00 C ATOM 472 C VAL A 33 2.587 2.910 -7.782 1.00 0.00 C ATOM 473 O VAL A 33 2.841 3.278 -6.636 1.00 0.00 O ATOM 474 CB VAL A 33 0.597 1.315 -7.693 1.00 0.00 C ATOM 475 CG1 VAL A 33 0.571 1.291 -6.164 1.00 0.00 C ATOM 476 CG2 VAL A 33 -0.791 1.029 -8.270 1.00 0.00 C ATOM 0 H VAL A 33 1.224 1.797 -10.124 1.00 0.00 H new ATOM 0 HA VAL A 33 0.525 3.430 -7.769 1.00 0.00 H new ATOM 0 HB VAL A 33 1.268 0.525 -8.029 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.180 0.333 -5.822 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.582 1.428 -5.781 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.067 2.095 -5.798 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.155 0.076 -7.886 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.477 1.824 -7.978 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.731 0.983 -9.357 1.00 0.00 H new ATOM 486 N GLU A 34 3.496 2.710 -8.725 1.00 0.00 N ATOM 487 CA GLU A 34 4.909 2.920 -8.459 1.00 0.00 C ATOM 488 C GLU A 34 5.297 4.368 -8.765 1.00 0.00 C ATOM 489 O GLU A 34 6.241 4.898 -8.182 1.00 0.00 O ATOM 490 CB GLU A 34 5.769 1.941 -9.260 1.00 0.00 C ATOM 491 CG GLU A 34 6.132 0.715 -8.418 1.00 0.00 C ATOM 492 CD GLU A 34 7.299 -0.052 -9.042 1.00 0.00 C ATOM 493 OE1 GLU A 34 7.088 -0.614 -10.138 1.00 0.00 O ATOM 494 OE2 GLU A 34 8.377 -0.060 -8.408 1.00 0.00 O ATOM 0 H GLU A 34 3.281 2.405 -9.674 1.00 0.00 H new ATOM 0 HA GLU A 34 5.092 2.731 -7.401 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.231 1.626 -10.154 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.679 2.440 -9.594 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.397 1.028 -7.408 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.266 0.059 -8.332 1.00 0.00 H new ATOM 501 N ALA A 35 4.549 4.967 -9.680 1.00 0.00 N ATOM 502 CA ALA A 35 4.803 6.343 -10.071 1.00 0.00 C ATOM 503 C ALA A 35 4.034 7.283 -9.141 1.00 0.00 C ATOM 504 O ALA A 35 4.595 8.248 -8.625 1.00 0.00 O ATOM 505 CB ALA A 35 4.422 6.535 -11.540 1.00 0.00 C ATOM 0 H ALA A 35 3.767 4.524 -10.162 1.00 0.00 H new ATOM 0 HA ALA A 35 5.863 6.580 -9.976 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.613 7.567 -11.833 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.017 5.866 -12.161 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.364 6.309 -11.674 1.00 0.00 H new ATOM 511 N ILE A 36 2.760 6.969 -8.956 1.00 0.00 N ATOM 512 CA ILE A 36 1.907 7.774 -8.097 1.00 0.00 C ATOM 513 C ILE A 36 2.500 7.809 -6.687 1.00 0.00 C ATOM 514 O ILE A 36 2.345 8.797 -5.970 1.00 0.00 O ATOM 515 CB ILE A 36 0.465 7.265 -8.146 1.00 0.00 C ATOM 516 CG1 ILE A 36 -0.142 7.471 -9.535 1.00 0.00 C ATOM 517 CG2 ILE A 36 -0.381 7.913 -7.048 1.00 0.00 C ATOM 518 CD1 ILE A 36 -1.512 6.798 -9.639 1.00 0.00 C ATOM 0 H ILE A 36 2.298 6.168 -9.386 1.00 0.00 H new ATOM 0 HA ILE A 36 1.869 8.804 -8.453 1.00 0.00 H new ATOM 0 HB ILE A 36 0.474 6.192 -7.955 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.240 8.537 -9.739 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.527 7.062 -10.292 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.402 7.535 -7.104 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.042 7.672 -6.073 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.387 8.994 -7.184 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.922 6.959 -10.636 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.406 5.728 -9.459 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.185 7.226 -8.896 1.00 0.00 H new ATOM 530 N PHE A 37 3.166 6.721 -6.332 1.00 0.00 N ATOM 531 CA PHE A 37 3.782 6.615 -5.020 1.00 0.00 C ATOM 532 C PHE A 37 5.241 7.075 -5.061 1.00 0.00 C ATOM 533 O PHE A 37 5.841 7.341 -4.021 1.00 0.00 O ATOM 534 CB PHE A 37 3.736 5.139 -4.622 1.00 0.00 C ATOM 535 CG PHE A 37 2.334 4.628 -4.285 1.00 0.00 C ATOM 536 CD1 PHE A 37 1.339 4.717 -5.208 1.00 0.00 C ATOM 537 CD2 PHE A 37 2.083 4.086 -3.064 1.00 0.00 C ATOM 538 CE1 PHE A 37 0.037 4.243 -4.895 1.00 0.00 C ATOM 539 CE2 PHE A 37 0.781 3.612 -2.751 1.00 0.00 C ATOM 540 CZ PHE A 37 -0.214 3.700 -3.673 1.00 0.00 C ATOM 0 H PHE A 37 3.293 5.904 -6.930 1.00 0.00 H new ATOM 0 HA PHE A 37 3.250 7.245 -4.307 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.143 4.541 -5.437 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.384 4.986 -3.759 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.539 5.148 -6.178 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.874 4.016 -2.332 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.754 4.314 -5.627 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.582 3.182 -1.781 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.204 3.339 -3.436 1.00 0.00 H new ATOM 550 N SER A 38 5.769 7.154 -6.274 1.00 0.00 N ATOM 551 CA SER A 38 7.146 7.577 -6.464 1.00 0.00 C ATOM 552 C SER A 38 7.322 9.019 -5.983 1.00 0.00 C ATOM 553 O SER A 38 8.446 9.497 -5.841 1.00 0.00 O ATOM 554 CB SER A 38 7.563 7.453 -7.931 1.00 0.00 C ATOM 555 OG SER A 38 8.635 8.332 -8.258 1.00 0.00 O ATOM 0 H SER A 38 5.268 6.932 -7.134 1.00 0.00 H new ATOM 0 HA SER A 38 7.789 6.923 -5.875 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.861 6.425 -8.137 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.708 7.671 -8.571 1.00 0.00 H new ATOM 0 HG SER A 38 8.979 8.747 -7.440 1.00 0.00 H new ATOM 561 N LYS A 39 6.194 9.671 -5.745 1.00 0.00 N ATOM 562 CA LYS A 39 6.209 11.048 -5.282 1.00 0.00 C ATOM 563 C LYS A 39 6.145 11.069 -3.754 1.00 0.00 C ATOM 564 O LYS A 39 6.141 12.138 -3.144 1.00 0.00 O ATOM 565 CB LYS A 39 5.095 11.852 -5.956 1.00 0.00 C ATOM 566 CG LYS A 39 3.752 11.126 -5.848 1.00 0.00 C ATOM 567 CD LYS A 39 2.590 12.121 -5.829 1.00 0.00 C ATOM 568 CE LYS A 39 1.442 11.639 -6.719 1.00 0.00 C ATOM 569 NZ LYS A 39 0.155 11.719 -5.993 1.00 0.00 N ATOM 0 H LYS A 39 5.263 9.271 -5.864 1.00 0.00 H new ATOM 0 HA LYS A 39 7.141 11.536 -5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.019 12.835 -5.492 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.342 12.013 -7.005 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.636 10.442 -6.689 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.733 10.522 -4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.233 12.250 -4.807 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.936 13.096 -6.171 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.395 12.247 -7.623 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.625 10.612 -7.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.613 11.388 -6.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.198 11.121 -5.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.025 12.704 -5.714 1.00 0.00 H new ATOM 583 N TYR A 40 6.096 9.877 -3.179 1.00 0.00 N ATOM 584 CA TYR A 40 6.033 9.745 -1.734 1.00 0.00 C ATOM 585 C TYR A 40 7.253 8.994 -1.197 1.00 0.00 C ATOM 586 O TYR A 40 7.223 8.465 -0.087 1.00 0.00 O ATOM 587 CB TYR A 40 4.775 8.924 -1.440 1.00 0.00 C ATOM 588 CG TYR A 40 3.478 9.733 -1.494 1.00 0.00 C ATOM 589 CD1 TYR A 40 3.395 10.949 -0.847 1.00 0.00 C ATOM 590 CD2 TYR A 40 2.389 9.246 -2.189 1.00 0.00 C ATOM 591 CE1 TYR A 40 2.174 11.710 -0.898 1.00 0.00 C ATOM 592 CE2 TYR A 40 1.168 10.007 -2.240 1.00 0.00 C ATOM 593 CZ TYR A 40 1.121 11.202 -1.592 1.00 0.00 C ATOM 594 OH TYR A 40 -0.033 11.921 -1.640 1.00 0.00 O ATOM 0 H TYR A 40 6.099 8.993 -3.688 1.00 0.00 H new ATOM 0 HA TYR A 40 6.013 10.727 -1.260 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.711 8.106 -2.158 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.870 8.474 -0.452 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.246 11.330 -0.302 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.453 8.294 -2.695 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.096 12.663 -0.396 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.309 9.638 -2.780 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.699 11.436 -2.171 1.00 0.00 H new ATOM 604 N GLY A 41 8.299 8.973 -2.010 1.00 0.00 N ATOM 605 CA GLY A 41 9.528 8.296 -1.631 1.00 0.00 C ATOM 606 C GLY A 41 9.923 7.251 -2.676 1.00 0.00 C ATOM 607 O GLY A 41 9.150 6.954 -3.586 1.00 0.00 O ATOM 0 H GLY A 41 8.321 9.414 -2.930 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.330 9.026 -1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.398 7.815 -0.661 1.00 0.00 H new ATOM 611 N LYS A 42 11.126 6.720 -2.511 1.00 0.00 N ATOM 612 CA LYS A 42 11.632 5.714 -3.428 1.00 0.00 C ATOM 613 C LYS A 42 11.072 4.345 -3.036 1.00 0.00 C ATOM 614 O LYS A 42 11.108 3.967 -1.866 1.00 0.00 O ATOM 615 CB LYS A 42 13.161 5.760 -3.484 1.00 0.00 C ATOM 616 CG LYS A 42 13.713 4.623 -4.345 1.00 0.00 C ATOM 617 CD LYS A 42 14.544 5.169 -5.508 1.00 0.00 C ATOM 618 CE LYS A 42 15.523 4.113 -6.026 1.00 0.00 C ATOM 619 NZ LYS A 42 15.893 4.395 -7.431 1.00 0.00 N ATOM 0 H LYS A 42 11.765 6.968 -1.755 1.00 0.00 H new ATOM 0 HA LYS A 42 11.293 5.919 -4.443 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.485 6.718 -3.890 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.568 5.687 -2.475 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.328 3.964 -3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.890 4.023 -4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.883 5.484 -6.315 1.00 0.00 H new ATOM 0 HD3 LYS A 42 15.094 6.052 -5.183 1.00 0.00 H new ATOM 0 HE2 LYS A 42 16.418 4.101 -5.403 1.00 0.00 H new ATOM 0 HE3 LYS A 42 15.072 3.123 -5.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 16.558 3.669 -7.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 15.039 4.383 -8.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 16.343 5.331 -7.490 1.00 0.00 H new ATOM 633 N ILE A 43 10.568 3.639 -4.038 1.00 0.00 N ATOM 634 CA ILE A 43 10.001 2.320 -3.813 1.00 0.00 C ATOM 635 C ILE A 43 11.081 1.260 -4.040 1.00 0.00 C ATOM 636 O ILE A 43 11.789 1.296 -5.046 1.00 0.00 O ATOM 637 CB ILE A 43 8.752 2.120 -4.673 1.00 0.00 C ATOM 638 CG1 ILE A 43 7.677 3.153 -4.327 1.00 0.00 C ATOM 639 CG2 ILE A 43 8.228 0.687 -4.554 1.00 0.00 C ATOM 640 CD1 ILE A 43 6.508 3.078 -5.311 1.00 0.00 C ATOM 0 H ILE A 43 10.541 3.956 -5.007 1.00 0.00 H new ATOM 0 HA ILE A 43 9.668 2.220 -2.780 1.00 0.00 H new ATOM 0 HB ILE A 43 9.027 2.277 -5.716 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.315 2.981 -3.313 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.109 4.153 -4.346 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.340 0.572 -5.175 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.997 -0.010 -4.887 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.974 0.478 -3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.758 3.822 -5.043 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.869 3.274 -6.321 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.063 2.084 -5.272 1.00 0.00 H new ATOM 652 N VAL A 44 11.173 0.341 -3.090 1.00 0.00 N ATOM 653 CA VAL A 44 12.154 -0.727 -3.175 1.00 0.00 C ATOM 654 C VAL A 44 11.451 -2.030 -3.561 1.00 0.00 C ATOM 655 O VAL A 44 12.070 -2.927 -4.132 1.00 0.00 O ATOM 656 CB VAL A 44 12.927 -0.833 -1.858 1.00 0.00 C ATOM 657 CG1 VAL A 44 13.482 0.530 -1.437 1.00 0.00 C ATOM 658 CG2 VAL A 44 12.053 -1.433 -0.756 1.00 0.00 C ATOM 0 H VAL A 44 10.584 0.314 -2.258 1.00 0.00 H new ATOM 0 HA VAL A 44 12.888 -0.511 -3.952 1.00 0.00 H new ATOM 0 HB VAL A 44 13.771 -1.504 -2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.027 0.427 -0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.156 0.903 -2.209 1.00 0.00 H new ATOM 0 HG13 VAL A 44 12.659 1.232 -1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.626 -1.497 0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.180 -0.799 -0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.729 -2.431 -1.052 1.00 0.00 H new ATOM 668 N GLY A 45 10.169 -2.092 -3.235 1.00 0.00 N ATOM 669 CA GLY A 45 9.375 -3.270 -3.542 1.00 0.00 C ATOM 670 C GLY A 45 7.897 -2.910 -3.699 1.00 0.00 C ATOM 671 O GLY A 45 7.308 -2.289 -2.815 1.00 0.00 O ATOM 0 H GLY A 45 9.660 -1.346 -2.761 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.740 -3.730 -4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.491 -4.008 -2.748 1.00 0.00 H new ATOM 675 N CYS A 46 7.339 -3.314 -4.831 1.00 0.00 N ATOM 676 CA CYS A 46 5.941 -3.042 -5.116 1.00 0.00 C ATOM 677 C CYS A 46 5.291 -4.334 -5.613 1.00 0.00 C ATOM 678 O CYS A 46 5.942 -5.150 -6.264 1.00 0.00 O ATOM 679 CB CYS A 46 5.780 -1.899 -6.121 1.00 0.00 C ATOM 680 SG CYS A 46 6.104 -2.507 -7.816 1.00 0.00 S ATOM 0 H CYS A 46 7.831 -3.828 -5.562 1.00 0.00 H new ATOM 0 HA CYS A 46 5.440 -2.711 -4.206 1.00 0.00 H new ATOM 0 HB2 CYS A 46 4.772 -1.489 -6.059 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.469 -1.090 -5.878 1.00 0.00 H new ATOM 0 HG CYS A 46 6.243 -3.799 -7.794 1.00 0.00 H new ATOM 686 N SER A 47 4.015 -4.481 -5.286 1.00 0.00 N ATOM 687 CA SER A 47 3.270 -5.661 -5.691 1.00 0.00 C ATOM 688 C SER A 47 1.795 -5.305 -5.892 1.00 0.00 C ATOM 689 O SER A 47 1.217 -4.569 -5.095 1.00 0.00 O ATOM 690 CB SER A 47 3.410 -6.782 -4.660 1.00 0.00 C ATOM 691 OG SER A 47 3.499 -6.276 -3.330 1.00 0.00 O ATOM 0 H SER A 47 3.479 -3.803 -4.745 1.00 0.00 H new ATOM 0 HA SER A 47 3.683 -6.019 -6.634 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.555 -7.453 -4.736 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.299 -7.372 -4.884 1.00 0.00 H new ATOM 0 HG SER A 47 3.586 -7.023 -2.701 1.00 0.00 H new ATOM 697 N VAL A 48 1.230 -5.845 -6.962 1.00 0.00 N ATOM 698 CA VAL A 48 -0.166 -5.594 -7.277 1.00 0.00 C ATOM 699 C VAL A 48 -0.870 -6.925 -7.552 1.00 0.00 C ATOM 700 O VAL A 48 -0.629 -7.558 -8.579 1.00 0.00 O ATOM 701 CB VAL A 48 -0.270 -4.611 -8.445 1.00 0.00 C ATOM 702 CG1 VAL A 48 -1.723 -4.446 -8.895 1.00 0.00 C ATOM 703 CG2 VAL A 48 0.348 -3.259 -8.080 1.00 0.00 C ATOM 0 H VAL A 48 1.713 -6.455 -7.621 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.671 -5.128 -6.431 1.00 0.00 H new ATOM 0 HB VAL A 48 0.295 -5.023 -9.281 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.769 -3.742 -9.726 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.117 -5.411 -9.214 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.320 -4.067 -8.065 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.261 -2.579 -8.927 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.177 -2.839 -7.222 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.400 -3.395 -7.831 1.00 0.00 H new ATOM 713 N HIS A 49 -1.726 -7.309 -6.616 1.00 0.00 N ATOM 714 CA HIS A 49 -2.466 -8.553 -6.745 1.00 0.00 C ATOM 715 C HIS A 49 -3.948 -8.247 -6.971 1.00 0.00 C ATOM 716 O HIS A 49 -4.547 -7.475 -6.224 1.00 0.00 O ATOM 717 CB HIS A 49 -2.225 -9.456 -5.533 1.00 0.00 C ATOM 718 CG HIS A 49 -0.771 -9.598 -5.153 1.00 0.00 C ATOM 719 ND1 HIS A 49 0.007 -10.672 -5.552 1.00 0.00 N ATOM 720 CD2 HIS A 49 0.039 -8.793 -4.407 1.00 0.00 C ATOM 721 CE1 HIS A 49 1.227 -10.509 -5.062 1.00 0.00 C ATOM 722 NE2 HIS A 49 1.245 -9.344 -4.353 1.00 0.00 N ATOM 0 H HIS A 49 -1.923 -6.781 -5.766 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.108 -9.105 -7.614 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.775 -9.058 -4.681 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.634 -10.445 -5.742 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -0.306 -11.455 -6.126 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.252 -7.864 -3.939 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.061 -11.181 -5.200 1.00 0.00 H new ATOM 730 N LYS A 50 -4.496 -8.868 -8.005 1.00 0.00 N ATOM 731 CA LYS A 50 -5.896 -8.671 -8.339 1.00 0.00 C ATOM 732 C LYS A 50 -6.723 -8.631 -7.052 1.00 0.00 C ATOM 733 O LYS A 50 -6.975 -9.668 -6.440 1.00 0.00 O ATOM 734 CB LYS A 50 -6.363 -9.734 -9.337 1.00 0.00 C ATOM 735 CG LYS A 50 -6.912 -9.087 -10.610 1.00 0.00 C ATOM 736 CD LYS A 50 -7.867 -10.034 -11.338 1.00 0.00 C ATOM 737 CE LYS A 50 -7.871 -9.758 -12.843 1.00 0.00 C ATOM 738 NZ LYS A 50 -6.790 -10.516 -13.512 1.00 0.00 N ATOM 0 H LYS A 50 -3.996 -9.508 -8.622 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.037 -7.713 -8.839 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.531 -10.392 -9.589 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.133 -10.355 -8.879 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.433 -8.163 -10.357 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.087 -8.818 -11.270 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.571 -11.067 -11.155 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.875 -9.916 -10.940 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.835 -10.037 -13.267 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.740 -8.691 -13.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.807 -10.317 -14.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.871 -10.230 -13.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.932 -11.534 -13.355 1.00 0.00 H new ATOM 752 N GLY A 51 -7.120 -7.424 -6.680 1.00 0.00 N ATOM 753 CA GLY A 51 -7.913 -7.235 -5.477 1.00 0.00 C ATOM 754 C GLY A 51 -7.250 -6.225 -4.537 1.00 0.00 C ATOM 755 O GLY A 51 -7.927 -5.576 -3.741 1.00 0.00 O ATOM 0 H GLY A 51 -6.908 -6.567 -7.190 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.911 -6.887 -5.745 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.035 -8.189 -4.964 1.00 0.00 H new ATOM 759 N PHE A 52 -5.935 -6.126 -4.659 1.00 0.00 N ATOM 760 CA PHE A 52 -5.174 -5.207 -3.830 1.00 0.00 C ATOM 761 C PHE A 52 -3.737 -5.071 -4.339 1.00 0.00 C ATOM 762 O PHE A 52 -3.423 -5.507 -5.446 1.00 0.00 O ATOM 763 CB PHE A 52 -5.149 -5.794 -2.418 1.00 0.00 C ATOM 764 CG PHE A 52 -4.507 -7.180 -2.332 1.00 0.00 C ATOM 765 CD1 PHE A 52 -5.262 -8.293 -2.530 1.00 0.00 C ATOM 766 CD2 PHE A 52 -3.180 -7.299 -2.057 1.00 0.00 C ATOM 767 CE1 PHE A 52 -4.667 -9.580 -2.450 1.00 0.00 C ATOM 768 CE2 PHE A 52 -2.584 -8.586 -1.977 1.00 0.00 C ATOM 769 CZ PHE A 52 -3.340 -9.699 -2.175 1.00 0.00 C ATOM 0 H PHE A 52 -5.377 -6.667 -5.319 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.634 -4.219 -3.851 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.607 -5.113 -1.762 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.170 -5.854 -2.042 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.315 -8.198 -2.748 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.580 -6.415 -1.900 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.268 -10.464 -2.607 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.530 -8.681 -1.759 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.887 -10.677 -2.114 1.00 0.00 H new ATOM 779 N ALA A 53 -2.903 -4.465 -3.507 1.00 0.00 N ATOM 780 CA ALA A 53 -1.508 -4.266 -3.859 1.00 0.00 C ATOM 781 C ALA A 53 -0.728 -3.840 -2.613 1.00 0.00 C ATOM 782 O ALA A 53 -1.317 -3.597 -1.561 1.00 0.00 O ATOM 783 CB ALA A 53 -1.407 -3.240 -4.989 1.00 0.00 C ATOM 0 H ALA A 53 -3.167 -4.105 -2.590 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.068 -5.195 -4.222 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.360 -3.091 -5.253 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.952 -3.603 -5.860 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.837 -2.294 -4.661 1.00 0.00 H new ATOM 789 N PHE A 54 0.585 -3.763 -2.774 1.00 0.00 N ATOM 790 CA PHE A 54 1.451 -3.370 -1.675 1.00 0.00 C ATOM 791 C PHE A 54 2.675 -2.608 -2.187 1.00 0.00 C ATOM 792 O PHE A 54 3.149 -2.859 -3.294 1.00 0.00 O ATOM 793 CB PHE A 54 1.917 -4.657 -0.990 1.00 0.00 C ATOM 794 CG PHE A 54 1.057 -5.071 0.206 1.00 0.00 C ATOM 795 CD1 PHE A 54 -0.083 -5.784 0.009 1.00 0.00 C ATOM 796 CD2 PHE A 54 1.435 -4.725 1.466 1.00 0.00 C ATOM 797 CE1 PHE A 54 -0.881 -6.169 1.120 1.00 0.00 C ATOM 798 CE2 PHE A 54 0.637 -5.110 2.576 1.00 0.00 C ATOM 799 CZ PHE A 54 -0.503 -5.823 2.380 1.00 0.00 C ATOM 0 H PHE A 54 1.070 -3.966 -3.648 1.00 0.00 H new ATOM 0 HA PHE A 54 0.910 -2.717 -0.990 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.918 -5.466 -1.721 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.947 -4.527 -0.657 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.382 -6.058 -0.992 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.341 -4.158 1.622 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.787 -6.736 0.964 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.937 -4.836 3.577 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.109 -6.115 3.225 1.00 0.00 H new ATOM 809 N VAL A 55 3.152 -1.692 -1.357 1.00 0.00 N ATOM 810 CA VAL A 55 4.311 -0.891 -1.713 1.00 0.00 C ATOM 811 C VAL A 55 5.325 -0.933 -0.567 1.00 0.00 C ATOM 812 O VAL A 55 4.952 -1.128 0.589 1.00 0.00 O ATOM 813 CB VAL A 55 3.875 0.530 -2.074 1.00 0.00 C ATOM 814 CG1 VAL A 55 5.045 1.509 -1.955 1.00 0.00 C ATOM 815 CG2 VAL A 55 3.262 0.576 -3.475 1.00 0.00 C ATOM 0 H VAL A 55 2.757 -1.487 -0.439 1.00 0.00 H new ATOM 0 HA VAL A 55 4.801 -1.300 -2.597 1.00 0.00 H new ATOM 0 HB VAL A 55 3.108 0.836 -1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.708 2.512 -2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.418 1.507 -0.931 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.843 1.206 -2.632 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.960 1.597 -3.707 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.998 0.240 -4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.390 -0.077 -3.512 1.00 0.00 H new ATOM 825 N GLN A 56 6.586 -0.745 -0.927 1.00 0.00 N ATOM 826 CA GLN A 56 7.655 -0.759 0.056 1.00 0.00 C ATOM 827 C GLN A 56 8.633 0.388 -0.208 1.00 0.00 C ATOM 828 O GLN A 56 9.445 0.316 -1.130 1.00 0.00 O ATOM 829 CB GLN A 56 8.379 -2.107 0.061 1.00 0.00 C ATOM 830 CG GLN A 56 9.482 -2.133 1.120 1.00 0.00 C ATOM 831 CD GLN A 56 9.118 -3.075 2.269 1.00 0.00 C ATOM 832 OE1 GLN A 56 8.376 -4.031 2.111 1.00 0.00 O ATOM 833 NE2 GLN A 56 9.680 -2.754 3.431 1.00 0.00 N ATOM 0 H GLN A 56 6.891 -0.582 -1.887 1.00 0.00 H new ATOM 0 HA GLN A 56 7.216 -0.617 1.043 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.664 -2.907 0.255 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.810 -2.296 -0.922 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.420 -2.453 0.666 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.643 -1.127 1.507 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.292 -1.940 3.494 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.499 -3.322 4.259 1.00 0.00 H new ATOM 842 N TYR A 57 8.524 1.419 0.617 1.00 0.00 N ATOM 843 CA TYR A 57 9.389 2.578 0.484 1.00 0.00 C ATOM 844 C TYR A 57 10.750 2.326 1.137 1.00 0.00 C ATOM 845 O TYR A 57 10.935 1.324 1.826 1.00 0.00 O ATOM 846 CB TYR A 57 8.685 3.717 1.225 1.00 0.00 C ATOM 847 CG TYR A 57 7.425 4.229 0.526 1.00 0.00 C ATOM 848 CD1 TYR A 57 6.233 3.547 0.663 1.00 0.00 C ATOM 849 CD2 TYR A 57 7.480 5.374 -0.243 1.00 0.00 C ATOM 850 CE1 TYR A 57 5.047 4.029 0.005 1.00 0.00 C ATOM 851 CE2 TYR A 57 6.294 5.857 -0.902 1.00 0.00 C ATOM 852 CZ TYR A 57 5.136 5.160 -0.745 1.00 0.00 C ATOM 853 OH TYR A 57 4.015 5.616 -1.368 1.00 0.00 O ATOM 0 H TYR A 57 7.850 1.475 1.380 1.00 0.00 H new ATOM 0 HA TYR A 57 9.563 2.807 -0.567 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.420 3.376 2.226 1.00 0.00 H new ATOM 0 HB3 TYR A 57 9.384 4.545 1.345 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.190 2.651 1.264 1.00 0.00 H new ATOM 0 HD2 TYR A 57 8.413 5.908 -0.351 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.108 3.505 0.105 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.323 6.751 -1.507 1.00 0.00 H new ATOM 0 HH TYR A 57 4.269 6.151 -2.149 1.00 0.00 H new ATOM 863 N VAL A 58 11.667 3.251 0.896 1.00 0.00 N ATOM 864 CA VAL A 58 13.005 3.141 1.452 1.00 0.00 C ATOM 865 C VAL A 58 12.945 3.367 2.964 1.00 0.00 C ATOM 866 O VAL A 58 13.735 2.794 3.713 1.00 0.00 O ATOM 867 CB VAL A 58 13.949 4.112 0.740 1.00 0.00 C ATOM 868 CG1 VAL A 58 15.058 4.587 1.680 1.00 0.00 C ATOM 869 CG2 VAL A 58 14.534 3.480 -0.524 1.00 0.00 C ATOM 0 H VAL A 58 11.510 4.080 0.323 1.00 0.00 H new ATOM 0 HA VAL A 58 13.405 2.140 1.288 1.00 0.00 H new ATOM 0 HB VAL A 58 13.368 4.984 0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.715 5.276 1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 58 14.616 5.095 2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 58 15.635 3.729 2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.201 4.191 -1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 58 15.092 2.583 -0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.726 3.215 -1.206 1.00 0.00 H new ATOM 879 N ASN A 59 11.999 4.202 3.368 1.00 0.00 N ATOM 880 CA ASN A 59 11.825 4.510 4.778 1.00 0.00 C ATOM 881 C ASN A 59 10.341 4.416 5.137 1.00 0.00 C ATOM 882 O ASN A 59 9.498 4.217 4.263 1.00 0.00 O ATOM 883 CB ASN A 59 12.298 5.930 5.093 1.00 0.00 C ATOM 884 CG ASN A 59 13.699 6.180 4.529 1.00 0.00 C ATOM 885 OD1 ASN A 59 13.901 6.980 3.631 1.00 0.00 O ATOM 886 ND2 ASN A 59 14.651 5.451 5.105 1.00 0.00 N ATOM 0 H ASN A 59 11.345 4.675 2.744 1.00 0.00 H new ATOM 0 HA ASN A 59 12.414 3.797 5.354 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.598 6.652 4.672 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.304 6.084 6.172 1.00 0.00 H new ATOM 0 HD21 ASN A 59 15.620 5.544 4.799 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.412 4.799 5.852 1.00 0.00 H new ATOM 893 N GLU A 60 10.066 4.562 6.425 1.00 0.00 N ATOM 894 CA GLU A 60 8.698 4.496 6.910 1.00 0.00 C ATOM 895 C GLU A 60 8.009 5.852 6.741 1.00 0.00 C ATOM 896 O GLU A 60 6.896 5.926 6.223 1.00 0.00 O ATOM 897 CB GLU A 60 8.655 4.037 8.369 1.00 0.00 C ATOM 898 CG GLU A 60 7.261 3.533 8.744 1.00 0.00 C ATOM 899 CD GLU A 60 7.208 3.109 10.214 1.00 0.00 C ATOM 900 OE1 GLU A 60 8.073 2.293 10.600 1.00 0.00 O ATOM 901 OE2 GLU A 60 6.304 3.611 10.917 1.00 0.00 O ATOM 0 H GLU A 60 10.767 4.726 7.147 1.00 0.00 H new ATOM 0 HA GLU A 60 8.158 3.759 6.316 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.387 3.244 8.526 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.935 4.863 9.022 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.526 4.317 8.561 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.992 2.689 8.108 1.00 0.00 H new ATOM 908 N ARG A 61 8.699 6.890 7.189 1.00 0.00 N ATOM 909 CA ARG A 61 8.167 8.239 7.095 1.00 0.00 C ATOM 910 C ARG A 61 7.631 8.501 5.686 1.00 0.00 C ATOM 911 O ARG A 61 6.638 9.207 5.516 1.00 0.00 O ATOM 912 CB ARG A 61 9.240 9.279 7.426 1.00 0.00 C ATOM 913 CG ARG A 61 9.399 9.439 8.939 1.00 0.00 C ATOM 914 CD ARG A 61 9.971 10.815 9.287 1.00 0.00 C ATOM 915 NE ARG A 61 8.871 11.760 9.582 1.00 0.00 N ATOM 916 CZ ARG A 61 8.359 12.619 8.691 1.00 0.00 C ATOM 917 NH1 ARG A 61 8.844 12.657 7.442 1.00 0.00 N ATOM 918 NH2 ARG A 61 7.361 13.439 9.047 1.00 0.00 N ATOM 0 H ARG A 61 9.622 6.824 7.618 1.00 0.00 H new ATOM 0 HA ARG A 61 7.356 8.327 7.819 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.191 8.978 6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.972 10.237 6.981 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.432 9.309 9.426 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.057 8.660 9.324 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.634 10.735 10.149 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.570 11.189 8.457 1.00 0.00 H new ATOM 0 HE ARG A 61 8.478 11.757 10.523 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.603 12.032 7.170 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.454 13.311 6.763 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.991 13.409 9.997 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.971 14.093 8.368 1.00 0.00 H new ATOM 932 N ASN A 62 8.312 7.917 4.710 1.00 0.00 N ATOM 933 CA ASN A 62 7.916 8.078 3.321 1.00 0.00 C ATOM 934 C ASN A 62 6.646 7.267 3.060 1.00 0.00 C ATOM 935 O ASN A 62 5.704 7.763 2.444 1.00 0.00 O ATOM 936 CB ASN A 62 9.006 7.568 2.376 1.00 0.00 C ATOM 937 CG ASN A 62 10.031 8.665 2.078 1.00 0.00 C ATOM 938 OD1 ASN A 62 9.881 9.812 2.465 1.00 0.00 O ATOM 939 ND2 ASN A 62 11.077 8.249 1.371 1.00 0.00 N ATOM 0 H ASN A 62 9.135 7.332 4.854 1.00 0.00 H new ATOM 0 HA ASN A 62 7.748 9.139 3.139 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.507 6.709 2.823 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.554 7.225 1.445 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.817 8.905 1.121 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.140 7.274 1.079 1.00 0.00 H new ATOM 946 N ALA A 63 6.661 6.032 3.541 1.00 0.00 N ATOM 947 CA ALA A 63 5.522 5.147 3.367 1.00 0.00 C ATOM 948 C ALA A 63 4.271 5.814 3.943 1.00 0.00 C ATOM 949 O ALA A 63 3.328 6.111 3.211 1.00 0.00 O ATOM 950 CB ALA A 63 5.818 3.798 4.024 1.00 0.00 C ATOM 0 H ALA A 63 7.444 5.624 4.051 1.00 0.00 H new ATOM 0 HA ALA A 63 5.339 4.961 2.309 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.963 3.134 3.893 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.698 3.352 3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.004 3.945 5.088 1.00 0.00 H new ATOM 956 N ARG A 64 4.303 6.029 5.250 1.00 0.00 N ATOM 957 CA ARG A 64 3.183 6.654 5.933 1.00 0.00 C ATOM 958 C ARG A 64 2.655 7.835 5.115 1.00 0.00 C ATOM 959 O ARG A 64 1.447 8.052 5.042 1.00 0.00 O ATOM 960 CB ARG A 64 3.592 7.148 7.323 1.00 0.00 C ATOM 961 CG ARG A 64 2.481 7.988 7.955 1.00 0.00 C ATOM 962 CD ARG A 64 2.910 8.525 9.322 1.00 0.00 C ATOM 963 NE ARG A 64 2.615 9.973 9.412 1.00 0.00 N ATOM 964 CZ ARG A 64 3.069 10.772 10.387 1.00 0.00 C ATOM 965 NH1 ARG A 64 3.841 10.270 11.361 1.00 0.00 N ATOM 966 NH2 ARG A 64 2.751 12.074 10.389 1.00 0.00 N ATOM 0 H ARG A 64 5.087 5.782 5.854 1.00 0.00 H new ATOM 0 HA ARG A 64 2.400 5.904 6.042 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.818 6.296 7.964 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.504 7.741 7.248 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.229 8.819 7.296 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.580 7.384 8.064 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.386 7.989 10.113 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.976 8.353 9.472 1.00 0.00 H new ATOM 0 HE ARG A 64 2.030 10.388 8.687 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.083 9.279 11.360 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.186 10.879 12.103 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.163 12.457 9.648 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.097 12.682 11.131 1.00 0.00 H new ATOM 980 N ALA A 65 3.587 8.566 4.521 1.00 0.00 N ATOM 981 CA ALA A 65 3.230 9.718 3.711 1.00 0.00 C ATOM 982 C ALA A 65 2.126 9.323 2.729 1.00 0.00 C ATOM 983 O ALA A 65 1.014 9.846 2.795 1.00 0.00 O ATOM 984 CB ALA A 65 4.477 10.251 3.003 1.00 0.00 C ATOM 0 H ALA A 65 4.588 8.383 4.585 1.00 0.00 H new ATOM 0 HA ALA A 65 2.842 10.522 4.337 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.209 11.115 2.395 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.219 10.545 3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.893 9.473 2.363 1.00 0.00 H new ATOM 990 N ALA A 66 2.470 8.404 1.839 1.00 0.00 N ATOM 991 CA ALA A 66 1.522 7.933 0.844 1.00 0.00 C ATOM 992 C ALA A 66 0.254 7.442 1.546 1.00 0.00 C ATOM 993 O ALA A 66 -0.853 7.831 1.178 1.00 0.00 O ATOM 994 CB ALA A 66 2.175 6.844 -0.009 1.00 0.00 C ATOM 0 H ALA A 66 3.393 7.973 1.786 1.00 0.00 H new ATOM 0 HA ALA A 66 1.235 8.743 0.174 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.463 6.491 -0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.053 7.252 -0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.474 6.012 0.629 1.00 0.00 H new ATOM 1000 N VAL A 67 0.459 6.594 2.544 1.00 0.00 N ATOM 1001 CA VAL A 67 -0.653 6.046 3.300 1.00 0.00 C ATOM 1002 C VAL A 67 -1.560 7.187 3.766 1.00 0.00 C ATOM 1003 O VAL A 67 -2.744 6.979 4.024 1.00 0.00 O ATOM 1004 CB VAL A 67 -0.130 5.190 4.455 1.00 0.00 C ATOM 1005 CG1 VAL A 67 -1.228 4.932 5.489 1.00 0.00 C ATOM 1006 CG2 VAL A 67 0.458 3.874 3.939 1.00 0.00 C ATOM 0 H VAL A 67 1.379 6.274 2.846 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.254 5.389 2.671 1.00 0.00 H new ATOM 0 HB VAL A 67 0.669 5.744 4.947 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.829 4.321 6.299 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.580 5.882 5.891 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.058 4.408 5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.823 3.284 4.780 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.313 3.314 3.410 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.283 4.086 3.259 1.00 0.00 H new ATOM 1016 N ALA A 68 -0.969 8.370 3.859 1.00 0.00 N ATOM 1017 CA ALA A 68 -1.708 9.544 4.289 1.00 0.00 C ATOM 1018 C ALA A 68 -2.235 10.288 3.060 1.00 0.00 C ATOM 1019 O ALA A 68 -3.298 10.904 3.112 1.00 0.00 O ATOM 1020 CB ALA A 68 -0.808 10.423 5.160 1.00 0.00 C ATOM 0 H ALA A 68 0.013 8.540 3.644 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.568 9.256 4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.362 11.304 5.483 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.484 9.858 6.034 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.064 10.734 4.585 1.00 0.00 H new ATOM 1026 N GLY A 69 -1.468 10.204 1.983 1.00 0.00 N ATOM 1027 CA GLY A 69 -1.845 10.862 0.743 1.00 0.00 C ATOM 1028 C GLY A 69 -2.631 9.912 -0.164 1.00 0.00 C ATOM 1029 O GLY A 69 -3.846 10.043 -0.300 1.00 0.00 O ATOM 0 H GLY A 69 -0.588 9.691 1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.448 11.743 0.963 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.951 11.209 0.225 1.00 0.00 H new ATOM 1033 N GLU A 70 -1.905 8.978 -0.760 1.00 0.00 N ATOM 1034 CA GLU A 70 -2.520 8.008 -1.650 1.00 0.00 C ATOM 1035 C GLU A 70 -3.896 7.599 -1.121 1.00 0.00 C ATOM 1036 O GLU A 70 -4.917 7.915 -1.729 1.00 0.00 O ATOM 1037 CB GLU A 70 -1.618 6.785 -1.834 1.00 0.00 C ATOM 1038 CG GLU A 70 -1.100 6.698 -3.271 1.00 0.00 C ATOM 1039 CD GLU A 70 -2.156 6.096 -4.199 1.00 0.00 C ATOM 1040 OE1 GLU A 70 -2.643 4.994 -3.866 1.00 0.00 O ATOM 1041 OE2 GLU A 70 -2.453 6.751 -5.222 1.00 0.00 O ATOM 0 H GLU A 70 -0.897 8.872 -0.644 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.652 8.473 -2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.777 6.842 -1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.172 5.879 -1.588 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.826 7.692 -3.623 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.196 6.089 -3.299 1.00 0.00 H new ATOM 1048 N ASP A 71 -3.879 6.904 0.007 1.00 0.00 N ATOM 1049 CA ASP A 71 -5.113 6.450 0.625 1.00 0.00 C ATOM 1050 C ASP A 71 -6.176 7.542 0.494 1.00 0.00 C ATOM 1051 O ASP A 71 -6.058 8.605 1.101 1.00 0.00 O ATOM 1052 CB ASP A 71 -4.910 6.163 2.114 1.00 0.00 C ATOM 1053 CG ASP A 71 -6.197 5.925 2.907 1.00 0.00 C ATOM 1054 OD1 ASP A 71 -6.634 4.755 2.940 1.00 0.00 O ATOM 1055 OD2 ASP A 71 -6.713 6.919 3.463 1.00 0.00 O ATOM 0 H ASP A 71 -3.030 6.644 0.509 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.426 5.536 0.121 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.271 5.286 2.216 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.375 7.001 2.561 1.00 0.00 H new ATOM 1060 N GLY A 72 -7.191 7.242 -0.303 1.00 0.00 N ATOM 1061 CA GLY A 72 -8.275 8.185 -0.522 1.00 0.00 C ATOM 1062 C GLY A 72 -8.207 8.781 -1.929 1.00 0.00 C ATOM 1063 O GLY A 72 -8.724 9.871 -2.171 1.00 0.00 O ATOM 0 H GLY A 72 -7.286 6.359 -0.805 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.232 7.683 -0.382 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.222 8.984 0.218 1.00 0.00 H new ATOM 1067 N ARG A 73 -7.567 8.040 -2.821 1.00 0.00 N ATOM 1068 CA ARG A 73 -7.425 8.481 -4.198 1.00 0.00 C ATOM 1069 C ARG A 73 -8.422 7.747 -5.096 1.00 0.00 C ATOM 1070 O ARG A 73 -8.623 6.542 -4.952 1.00 0.00 O ATOM 1071 CB ARG A 73 -6.006 8.232 -4.713 1.00 0.00 C ATOM 1072 CG ARG A 73 -5.500 9.426 -5.525 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.232 9.064 -6.301 1.00 0.00 C ATOM 1074 NE ARG A 73 -3.686 10.267 -6.968 1.00 0.00 N ATOM 1075 CZ ARG A 73 -4.248 10.856 -8.032 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -5.376 10.358 -8.556 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -3.682 11.944 -8.572 1.00 0.00 N ATOM 0 H ARG A 73 -7.141 7.136 -2.617 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.626 9.552 -4.225 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.337 8.050 -3.872 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.992 7.335 -5.332 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.274 9.753 -6.219 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.296 10.264 -4.858 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.488 8.645 -5.623 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.456 8.297 -7.042 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.828 10.673 -6.594 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.807 9.530 -8.145 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.804 10.807 -9.366 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.823 12.324 -8.173 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.110 12.393 -9.382 1.00 0.00 H new ATOM 1091 N MET A 74 -9.021 8.504 -6.004 1.00 0.00 N ATOM 1092 CA MET A 74 -9.993 7.940 -6.926 1.00 0.00 C ATOM 1093 C MET A 74 -9.316 7.463 -8.213 1.00 0.00 C ATOM 1094 O MET A 74 -9.192 8.224 -9.172 1.00 0.00 O ATOM 1095 CB MET A 74 -11.048 8.995 -7.264 1.00 0.00 C ATOM 1096 CG MET A 74 -12.459 8.461 -7.010 1.00 0.00 C ATOM 1097 SD MET A 74 -13.659 9.753 -7.283 1.00 0.00 S ATOM 1098 CE MET A 74 -15.162 8.863 -6.915 1.00 0.00 C ATOM 0 H MET A 74 -8.852 9.503 -6.121 1.00 0.00 H new ATOM 0 HA MET A 74 -10.465 7.082 -6.447 1.00 0.00 H new ATOM 0 HB2 MET A 74 -10.880 9.888 -6.663 1.00 0.00 H new ATOM 0 HB3 MET A 74 -10.950 9.291 -8.308 1.00 0.00 H new ATOM 0 HG2 MET A 74 -12.662 7.619 -7.671 1.00 0.00 H new ATOM 0 HG3 MET A 74 -12.538 8.090 -5.988 1.00 0.00 H new ATOM 0 HE1 MET A 74 -15.949 9.570 -6.653 1.00 0.00 H new ATOM 0 HE2 MET A 74 -15.467 8.287 -7.789 1.00 0.00 H new ATOM 0 HE3 MET A 74 -14.989 8.187 -6.078 1.00 0.00 H new ATOM 1108 N ILE A 75 -8.895 6.207 -8.192 1.00 0.00 N ATOM 1109 CA ILE A 75 -8.233 5.620 -9.345 1.00 0.00 C ATOM 1110 C ILE A 75 -9.248 4.804 -10.149 1.00 0.00 C ATOM 1111 O ILE A 75 -9.823 3.845 -9.637 1.00 0.00 O ATOM 1112 CB ILE A 75 -7.007 4.818 -8.908 1.00 0.00 C ATOM 1113 CG1 ILE A 75 -5.843 5.020 -9.881 1.00 0.00 C ATOM 1114 CG2 ILE A 75 -7.354 3.338 -8.730 1.00 0.00 C ATOM 1115 CD1 ILE A 75 -4.973 6.205 -9.456 1.00 0.00 C ATOM 0 H ILE A 75 -8.999 5.579 -7.395 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.855 6.400 -10.006 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.684 5.192 -7.937 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.237 4.115 -9.921 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.230 5.190 -10.886 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -6.464 2.791 -8.419 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -8.128 3.235 -7.969 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.717 2.933 -9.675 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.153 6.327 -10.164 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.577 7.112 -9.440 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.569 6.021 -8.461 1.00 0.00 H new ATOM 1127 N ALA A 76 -9.437 5.216 -11.394 1.00 0.00 N ATOM 1128 CA ALA A 76 -10.372 4.535 -12.273 1.00 0.00 C ATOM 1129 C ALA A 76 -11.799 4.960 -11.920 1.00 0.00 C ATOM 1130 O ALA A 76 -12.758 4.497 -12.535 1.00 0.00 O ATOM 1131 CB ALA A 76 -10.169 3.023 -12.162 1.00 0.00 C ATOM 0 H ALA A 76 -8.959 6.013 -11.815 1.00 0.00 H new ATOM 0 HA ALA A 76 -10.193 4.812 -13.312 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -10.871 2.512 -12.822 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.149 2.771 -12.452 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.343 2.707 -11.133 1.00 0.00 H new ATOM 1137 N GLY A 77 -11.894 5.836 -10.930 1.00 0.00 N ATOM 1138 CA GLY A 77 -13.188 6.328 -10.488 1.00 0.00 C ATOM 1139 C GLY A 77 -13.575 5.716 -9.140 1.00 0.00 C ATOM 1140 O GLY A 77 -14.650 5.998 -8.612 1.00 0.00 O ATOM 0 H GLY A 77 -11.096 6.218 -10.422 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.159 7.414 -10.403 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.947 6.087 -11.232 1.00 0.00 H new ATOM 1144 N GLN A 78 -12.679 4.889 -8.622 1.00 0.00 N ATOM 1145 CA GLN A 78 -12.914 4.234 -7.347 1.00 0.00 C ATOM 1146 C GLN A 78 -11.830 4.627 -6.341 1.00 0.00 C ATOM 1147 O GLN A 78 -10.674 4.822 -6.713 1.00 0.00 O ATOM 1148 CB GLN A 78 -12.982 2.715 -7.514 1.00 0.00 C ATOM 1149 CG GLN A 78 -14.156 2.314 -8.408 1.00 0.00 C ATOM 1150 CD GLN A 78 -13.704 1.350 -9.508 1.00 0.00 C ATOM 1151 OE1 GLN A 78 -14.218 0.254 -9.659 1.00 0.00 O ATOM 1152 NE2 GLN A 78 -12.715 1.819 -10.264 1.00 0.00 N ATOM 0 H GLN A 78 -11.789 4.658 -9.063 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.878 4.567 -6.962 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -12.050 2.351 -7.947 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -13.086 2.242 -6.537 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.933 1.844 -7.805 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -14.596 3.204 -8.858 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -12.330 2.746 -10.083 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -12.341 1.251 -11.025 1.00 0.00 H new ATOM 1161 N VAL A 79 -12.242 4.732 -5.086 1.00 0.00 N ATOM 1162 CA VAL A 79 -11.321 5.099 -4.024 1.00 0.00 C ATOM 1163 C VAL A 79 -10.391 3.919 -3.732 1.00 0.00 C ATOM 1164 O VAL A 79 -10.767 2.765 -3.927 1.00 0.00 O ATOM 1165 CB VAL A 79 -12.100 5.565 -2.792 1.00 0.00 C ATOM 1166 CG1 VAL A 79 -11.154 5.889 -1.635 1.00 0.00 C ATOM 1167 CG2 VAL A 79 -12.988 6.765 -3.127 1.00 0.00 C ATOM 0 H VAL A 79 -13.202 4.569 -4.781 1.00 0.00 H new ATOM 0 HA VAL A 79 -10.697 5.937 -4.333 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.747 4.747 -2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -11.734 6.218 -0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.584 4.998 -1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.470 6.682 -1.936 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -13.531 7.076 -2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -12.368 7.589 -3.481 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -13.699 6.486 -3.905 1.00 0.00 H new ATOM 1177 N LEU A 80 -9.195 4.251 -3.269 1.00 0.00 N ATOM 1178 CA LEU A 80 -8.208 3.233 -2.948 1.00 0.00 C ATOM 1179 C LEU A 80 -8.046 3.147 -1.429 1.00 0.00 C ATOM 1180 O LEU A 80 -7.734 4.143 -0.777 1.00 0.00 O ATOM 1181 CB LEU A 80 -6.899 3.503 -3.692 1.00 0.00 C ATOM 1182 CG LEU A 80 -6.998 3.586 -5.216 1.00 0.00 C ATOM 1183 CD1 LEU A 80 -5.633 3.883 -5.840 1.00 0.00 C ATOM 1184 CD2 LEU A 80 -7.628 2.317 -5.794 1.00 0.00 C ATOM 0 H LEU A 80 -8.887 5.210 -3.108 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.545 2.254 -3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.481 4.440 -3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.190 2.716 -3.436 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.655 4.417 -5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.732 3.937 -6.924 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.260 4.835 -5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.933 3.089 -5.579 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.687 2.402 -6.879 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.016 1.454 -5.530 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.630 2.190 -5.385 1.00 0.00 H new ATOM 1196 N ASP A 81 -8.264 1.948 -0.909 1.00 0.00 N ATOM 1197 CA ASP A 81 -8.146 1.720 0.521 1.00 0.00 C ATOM 1198 C ASP A 81 -6.723 1.261 0.844 1.00 0.00 C ATOM 1199 O ASP A 81 -6.390 0.089 0.670 1.00 0.00 O ATOM 1200 CB ASP A 81 -9.112 0.628 0.985 1.00 0.00 C ATOM 1201 CG ASP A 81 -9.165 0.412 2.499 1.00 0.00 C ATOM 1202 OD1 ASP A 81 -9.790 1.261 3.171 1.00 0.00 O ATOM 1203 OD2 ASP A 81 -8.580 -0.596 2.950 1.00 0.00 O ATOM 0 H ASP A 81 -8.522 1.124 -1.452 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.383 2.653 1.033 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -10.113 0.876 0.633 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.831 -0.311 0.509 1.00 0.00 H new ATOM 1208 N ILE A 82 -5.921 2.208 1.308 1.00 0.00 N ATOM 1209 CA ILE A 82 -4.541 1.915 1.657 1.00 0.00 C ATOM 1210 C ILE A 82 -4.348 2.112 3.162 1.00 0.00 C ATOM 1211 O ILE A 82 -5.100 2.850 3.797 1.00 0.00 O ATOM 1212 CB ILE A 82 -3.584 2.747 0.800 1.00 0.00 C ATOM 1213 CG1 ILE A 82 -4.132 2.925 -0.618 1.00 0.00 C ATOM 1214 CG2 ILE A 82 -2.180 2.139 0.799 1.00 0.00 C ATOM 1215 CD1 ILE A 82 -3.140 3.690 -1.497 1.00 0.00 C ATOM 0 H ILE A 82 -6.200 3.179 1.450 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.305 0.874 1.438 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.505 3.740 1.242 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.336 1.949 -1.058 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -5.080 3.462 -0.581 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.520 2.749 0.183 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.797 2.106 1.819 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.222 1.128 0.395 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.554 3.803 -2.499 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.957 4.675 -1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.202 3.138 -1.552 1.00 0.00 H new ATOM 1227 N ASN A 83 -3.335 1.439 3.688 1.00 0.00 N ATOM 1228 CA ASN A 83 -3.033 1.530 5.107 1.00 0.00 C ATOM 1229 C ASN A 83 -1.619 1.004 5.357 1.00 0.00 C ATOM 1230 O ASN A 83 -1.065 0.282 4.530 1.00 0.00 O ATOM 1231 CB ASN A 83 -4.005 0.686 5.932 1.00 0.00 C ATOM 1232 CG ASN A 83 -3.450 0.424 7.334 1.00 0.00 C ATOM 1233 OD1 ASN A 83 -3.359 1.308 8.169 1.00 0.00 O ATOM 1234 ND2 ASN A 83 -3.086 -0.838 7.544 1.00 0.00 N ATOM 0 H ASN A 83 -2.713 0.829 3.158 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.121 2.575 5.405 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.964 1.198 6.007 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.188 -0.262 5.427 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.704 -1.115 8.448 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.189 -1.529 6.801 1.00 0.00 H new ATOM 1241 N LEU A 84 -1.074 1.386 6.503 1.00 0.00 N ATOM 1242 CA LEU A 84 0.266 0.961 6.873 1.00 0.00 C ATOM 1243 C LEU A 84 0.215 -0.477 7.394 1.00 0.00 C ATOM 1244 O LEU A 84 -0.668 -0.826 8.176 1.00 0.00 O ATOM 1245 CB LEU A 84 0.888 1.951 7.861 1.00 0.00 C ATOM 1246 CG LEU A 84 2.078 2.759 7.340 1.00 0.00 C ATOM 1247 CD1 LEU A 84 2.472 3.856 8.331 1.00 0.00 C ATOM 1248 CD2 LEU A 84 3.256 1.844 7.000 1.00 0.00 C ATOM 0 H LEU A 84 -1.536 1.985 7.187 1.00 0.00 H new ATOM 0 HA LEU A 84 0.920 0.962 6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.114 2.648 8.183 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.208 1.399 8.745 1.00 0.00 H new ATOM 0 HG LEU A 84 1.777 3.253 6.416 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.320 4.415 7.936 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.630 4.531 8.480 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.747 3.404 9.284 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.088 2.444 6.632 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.566 1.303 7.894 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.954 1.132 6.232 1.00 0.00 H new ATOM 1260 N ALA A 85 1.172 -1.271 6.938 1.00 0.00 N ATOM 1261 CA ALA A 85 1.247 -2.663 7.348 1.00 0.00 C ATOM 1262 C ALA A 85 1.549 -2.734 8.846 1.00 0.00 C ATOM 1263 O ALA A 85 2.678 -3.021 9.242 1.00 0.00 O ATOM 1264 CB ALA A 85 2.300 -3.387 6.506 1.00 0.00 C ATOM 0 H ALA A 85 1.902 -0.977 6.289 1.00 0.00 H new ATOM 0 HA ALA A 85 0.294 -3.164 7.180 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.357 -4.431 6.813 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.024 -3.333 5.453 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.271 -2.913 6.651 1.00 0.00 H new ATOM 1270 N ALA A 86 0.521 -2.467 9.638 1.00 0.00 N ATOM 1271 CA ALA A 86 0.663 -2.497 11.084 1.00 0.00 C ATOM 1272 C ALA A 86 -0.725 -2.538 11.727 1.00 0.00 C ATOM 1273 O ALA A 86 -1.025 -3.440 12.508 1.00 0.00 O ATOM 1274 CB ALA A 86 1.482 -1.288 11.542 1.00 0.00 C ATOM 0 H ALA A 86 -0.414 -2.229 9.306 1.00 0.00 H new ATOM 0 HA ALA A 86 1.199 -3.392 11.399 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.589 -1.310 12.627 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.469 -1.321 11.080 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.973 -0.371 11.246 1.00 0.00 H new