USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 719 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 66 SER OG : rot -80:sc= 0.0498 USER MOD Set 1.2: A 67 LYS NZ :NH3+ 161:sc= -0.0259 (180deg=-0.331) USER MOD Single : A 14 LYS NZ :NH3+ 157:sc= -0.805 (180deg=-1.56!) USER MOD Single : A 16 MET CE :methyl -163:sc= -0.15 (180deg=-0.368) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0.152 USER MOD Single : A 25 GLN : amide:sc= -0.919 K(o=-0.92,f=-3.9!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN :FLIP amide:sc= -1.02 F(o=-2.9!,f=-1) USER MOD Single : A 36 HIS : no HD1:sc= -0.17 K(o=-0.17,f=-1.1) USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0226) USER MOD Single : A 45 TYR OH : rot -37:sc= 1.18 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.0365 K(o=-0.036,f=-1.8!) USER MOD Single : A 53 SER OG : rot -140:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -141:sc= -0.172 (180deg=-2.7!) USER MOD Single : A 74 GLN : amide:sc= 0.447 X(o=0.45,f=-0.025) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 71:sc= 0.279 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 227 N LEU A 13 -6.994 -18.599 -1.402 1.00 0.00 N ATOM 228 CA LEU A 13 -6.695 -17.199 -1.115 1.00 0.00 C ATOM 229 C LEU A 13 -6.235 -16.445 -2.369 1.00 0.00 C ATOM 230 O LEU A 13 -5.451 -16.964 -3.162 1.00 0.00 O ATOM 231 CB LEU A 13 -5.817 -17.052 0.140 1.00 0.00 C ATOM 232 CG LEU A 13 -4.316 -16.813 -0.085 1.00 0.00 C ATOM 233 CD1 LEU A 13 -4.024 -15.311 -0.179 1.00 0.00 C ATOM 234 CD2 LEU A 13 -3.534 -17.395 1.098 1.00 0.00 C ATOM 0 HA LEU A 13 -7.616 -16.685 -0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.207 -16.224 0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.930 -17.954 0.741 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.016 -17.296 -1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.957 -15.157 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.581 -14.884 -1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.327 -14.823 0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.467 -17.229 0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.850 -16.905 2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.728 -18.465 1.171 1.00 0.00 H new ATOM 246 N LYS A 14 -6.786 -15.242 -2.575 1.00 0.00 N ATOM 247 CA LYS A 14 -6.757 -14.540 -3.857 1.00 0.00 C ATOM 248 C LYS A 14 -6.176 -13.126 -3.725 1.00 0.00 C ATOM 249 O LYS A 14 -6.053 -12.616 -2.612 1.00 0.00 O ATOM 250 CB LYS A 14 -8.163 -14.600 -4.491 1.00 0.00 C ATOM 251 CG LYS A 14 -9.034 -13.347 -4.358 1.00 0.00 C ATOM 252 CD LYS A 14 -9.335 -12.903 -2.923 1.00 0.00 C ATOM 253 CE LYS A 14 -10.436 -13.700 -2.216 1.00 0.00 C ATOM 254 NZ LYS A 14 -9.951 -14.995 -1.780 1.00 0.00 N ATOM 0 H LYS A 14 -7.271 -14.724 -1.842 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.072 -15.039 -4.542 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.048 -14.823 -5.552 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.701 -15.437 -4.046 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.541 -12.526 -4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.979 -13.527 -4.870 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.420 -12.977 -2.336 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.620 -11.851 -2.936 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.800 -13.137 -1.356 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.281 -13.834 -2.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.543 -15.343 -0.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.994 -15.667 -2.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.967 -14.906 -1.455 1.00 0.00 H new ATOM 267 N ARG A 15 -5.816 -12.491 -4.852 1.00 0.00 N ATOM 268 CA ARG A 15 -5.318 -11.120 -4.852 1.00 0.00 C ATOM 269 C ARG A 15 -6.416 -10.109 -5.188 1.00 0.00 C ATOM 270 O ARG A 15 -7.020 -10.147 -6.259 1.00 0.00 O ATOM 271 CB ARG A 15 -4.065 -10.955 -5.726 1.00 0.00 C ATOM 272 CG ARG A 15 -4.321 -10.868 -7.233 1.00 0.00 C ATOM 273 CD ARG A 15 -2.994 -10.862 -8.000 1.00 0.00 C ATOM 274 NE ARG A 15 -3.198 -11.053 -9.443 1.00 0.00 N ATOM 275 CZ ARG A 15 -3.488 -10.087 -10.333 1.00 0.00 C ATOM 276 NH1 ARG A 15 -3.657 -8.816 -9.943 1.00 0.00 N ATOM 277 NH2 ARG A 15 -3.627 -10.404 -11.628 1.00 0.00 N ATOM 0 H ARG A 15 -5.864 -12.916 -5.778 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.003 -10.898 -3.832 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.540 -10.053 -5.411 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.397 -11.795 -5.536 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.930 -11.713 -7.554 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.885 -9.963 -7.461 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.479 -9.917 -7.827 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.349 -11.652 -7.616 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.112 -12.004 -9.802 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.566 -8.568 -8.958 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.877 -8.096 -10.632 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.513 -11.371 -11.931 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.847 -9.678 -12.310 1.00 0.00 H new ATOM 291 N MET A 16 -6.606 -9.150 -4.280 1.00 0.00 N ATOM 292 CA MET A 16 -7.085 -7.826 -4.622 1.00 0.00 C ATOM 293 C MET A 16 -5.999 -7.127 -5.430 1.00 0.00 C ATOM 294 O MET A 16 -4.807 -7.418 -5.307 1.00 0.00 O ATOM 295 CB MET A 16 -7.371 -7.021 -3.358 1.00 0.00 C ATOM 296 CG MET A 16 -8.342 -5.855 -3.568 1.00 0.00 C ATOM 297 SD MET A 16 -8.537 -4.801 -2.110 1.00 0.00 S ATOM 298 CE MET A 16 -7.021 -3.829 -2.255 1.00 0.00 C ATOM 0 H MET A 16 -6.429 -9.279 -3.284 1.00 0.00 H new ATOM 0 HA MET A 16 -8.007 -7.904 -5.198 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.780 -7.688 -2.599 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.431 -6.632 -2.967 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.991 -5.246 -4.401 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.317 -6.252 -3.852 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.809 -3.342 -1.303 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.192 -4.485 -2.519 1.00 0.00 H new ATOM 0 HE3 MET A 16 -7.146 -3.073 -3.030 1.00 0.00 H new ATOM 308 N TYR A 17 -6.448 -6.177 -6.235 1.00 0.00 N ATOM 309 CA TYR A 17 -5.615 -5.331 -7.062 1.00 0.00 C ATOM 310 C TYR A 17 -6.426 -4.074 -7.336 1.00 0.00 C ATOM 311 O TYR A 17 -7.395 -4.121 -8.088 1.00 0.00 O ATOM 312 CB TYR A 17 -5.193 -6.083 -8.333 1.00 0.00 C ATOM 313 CG TYR A 17 -4.830 -5.221 -9.531 1.00 0.00 C ATOM 314 CD1 TYR A 17 -4.044 -4.064 -9.371 1.00 0.00 C ATOM 315 CD2 TYR A 17 -5.328 -5.551 -10.806 1.00 0.00 C ATOM 316 CE1 TYR A 17 -3.802 -3.217 -10.467 1.00 0.00 C ATOM 317 CE2 TYR A 17 -5.092 -4.700 -11.898 1.00 0.00 C ATOM 318 CZ TYR A 17 -4.346 -3.523 -11.727 1.00 0.00 C ATOM 319 OH TYR A 17 -4.152 -2.683 -12.786 1.00 0.00 O ATOM 0 H TYR A 17 -7.442 -5.969 -6.331 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.681 -5.054 -6.574 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.336 -6.712 -8.091 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.006 -6.749 -8.623 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.626 -3.826 -8.404 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.893 -6.461 -10.945 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.198 -2.331 -10.341 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -5.485 -4.952 -12.872 1.00 0.00 H new ATOM 0 HH TYR A 17 -4.596 -3.049 -13.579 1.00 0.00 H new ATOM 329 N ALA A 18 -6.038 -2.971 -6.691 1.00 0.00 N ATOM 330 CA ALA A 18 -6.705 -1.689 -6.792 1.00 0.00 C ATOM 331 C ALA A 18 -5.754 -0.667 -7.392 1.00 0.00 C ATOM 332 O ALA A 18 -4.716 -0.349 -6.816 1.00 0.00 O ATOM 333 CB ALA A 18 -7.193 -1.241 -5.419 1.00 0.00 C ATOM 0 H ALA A 18 -5.229 -2.954 -6.070 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.573 -1.781 -7.444 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.693 -0.276 -5.507 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.893 -1.977 -5.024 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.343 -1.149 -4.743 1.00 0.00 H new ATOM 339 N ARG A 19 -6.136 -0.163 -8.564 1.00 0.00 N ATOM 340 CA ARG A 19 -5.392 0.822 -9.319 1.00 0.00 C ATOM 341 C ARG A 19 -5.967 2.192 -8.939 1.00 0.00 C ATOM 342 O ARG A 19 -6.986 2.610 -9.488 1.00 0.00 O ATOM 343 CB ARG A 19 -5.530 0.484 -10.817 1.00 0.00 C ATOM 344 CG ARG A 19 -4.247 0.738 -11.607 1.00 0.00 C ATOM 345 CD ARG A 19 -3.676 2.124 -11.308 1.00 0.00 C ATOM 346 NE ARG A 19 -2.839 2.597 -12.412 1.00 0.00 N ATOM 347 CZ ARG A 19 -1.553 2.274 -12.621 1.00 0.00 C ATOM 348 NH1 ARG A 19 -0.930 1.385 -11.837 1.00 0.00 N ATOM 349 NH2 ARG A 19 -0.888 2.846 -13.632 1.00 0.00 N ATOM 0 H ARG A 19 -7.003 -0.444 -9.023 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.325 0.829 -9.099 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.814 -0.563 -10.923 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.337 1.078 -11.245 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.508 -0.024 -11.359 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.451 0.649 -12.674 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.491 2.828 -11.138 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.088 2.089 -10.391 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.273 3.230 -13.084 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.433 0.943 -11.068 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.048 1.150 -12.009 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.359 3.521 -14.235 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.089 2.607 -13.799 1.00 0.00 H new ATOM 363 N VAL A 20 -5.356 2.854 -7.949 1.00 0.00 N ATOM 364 CA VAL A 20 -5.957 4.014 -7.292 1.00 0.00 C ATOM 365 C VAL A 20 -5.506 5.312 -7.969 1.00 0.00 C ATOM 366 O VAL A 20 -4.352 5.716 -7.823 1.00 0.00 O ATOM 367 CB VAL A 20 -5.602 4.020 -5.799 1.00 0.00 C ATOM 368 CG1 VAL A 20 -6.327 5.153 -5.063 1.00 0.00 C ATOM 369 CG2 VAL A 20 -5.932 2.694 -5.101 1.00 0.00 C ATOM 0 H VAL A 20 -4.437 2.601 -7.585 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.041 3.947 -7.386 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.524 4.172 -5.754 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.056 5.133 -4.007 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.036 6.111 -5.494 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.404 5.022 -5.164 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.659 2.759 -4.048 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.000 2.493 -5.187 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.372 1.886 -5.572 1.00 0.00 H new ATOM 379 N TYR A 21 -6.431 5.981 -8.670 1.00 0.00 N ATOM 380 CA TYR A 21 -6.189 7.255 -9.343 1.00 0.00 C ATOM 381 C TYR A 21 -6.673 8.422 -8.486 1.00 0.00 C ATOM 382 O TYR A 21 -7.697 8.312 -7.814 1.00 0.00 O ATOM 383 CB TYR A 21 -6.916 7.288 -10.692 1.00 0.00 C ATOM 384 CG TYR A 21 -6.449 6.229 -11.670 1.00 0.00 C ATOM 385 CD1 TYR A 21 -5.323 6.467 -12.475 1.00 0.00 C ATOM 386 CD2 TYR A 21 -7.100 4.981 -11.735 1.00 0.00 C ATOM 387 CE1 TYR A 21 -4.850 5.467 -13.339 1.00 0.00 C ATOM 388 CE2 TYR A 21 -6.641 3.989 -12.615 1.00 0.00 C ATOM 389 CZ TYR A 21 -5.519 4.235 -13.424 1.00 0.00 C ATOM 390 OH TYR A 21 -5.060 3.272 -14.273 1.00 0.00 O ATOM 0 H TYR A 21 -7.386 5.641 -8.785 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.115 7.352 -9.502 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.985 7.163 -10.520 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.778 8.271 -11.143 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.820 7.422 -12.429 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -7.956 4.787 -11.105 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.970 5.645 -13.939 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.149 3.038 -12.670 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.634 2.480 -14.211 1.00 0.00 H new ATOM 400 N GLY A 22 -5.954 9.551 -8.557 1.00 0.00 N ATOM 401 CA GLY A 22 -6.351 10.802 -7.932 1.00 0.00 C ATOM 402 C GLY A 22 -5.150 11.649 -7.541 1.00 0.00 C ATOM 403 O GLY A 22 -4.018 11.344 -7.915 1.00 0.00 O ATOM 0 H GLY A 22 -5.069 9.612 -9.060 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.984 11.365 -8.618 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.950 10.591 -7.046 1.00 0.00 H new ATOM 407 N LEU A 23 -5.402 12.673 -6.714 1.00 0.00 N ATOM 408 CA LEU A 23 -4.359 13.449 -6.051 1.00 0.00 C ATOM 409 C LEU A 23 -3.821 12.706 -4.817 1.00 0.00 C ATOM 410 O LEU A 23 -3.137 13.287 -3.977 1.00 0.00 O ATOM 411 CB LEU A 23 -4.906 14.845 -5.715 1.00 0.00 C ATOM 412 CG LEU A 23 -3.825 15.925 -5.517 1.00 0.00 C ATOM 413 CD1 LEU A 23 -3.241 16.388 -6.859 1.00 0.00 C ATOM 414 CD2 LEU A 23 -4.431 17.135 -4.796 1.00 0.00 C ATOM 0 H LEU A 23 -6.347 12.984 -6.488 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.508 13.575 -6.720 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.575 15.161 -6.515 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.505 14.778 -4.807 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.023 15.489 -4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.482 17.150 -6.682 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.790 15.539 -7.372 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.036 16.805 -7.477 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.664 17.897 -4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.246 17.544 -5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.814 16.825 -3.824 1.00 0.00 H new ATOM 426 N VAL A 24 -4.109 11.403 -4.719 1.00 0.00 N ATOM 427 CA VAL A 24 -3.634 10.518 -3.667 1.00 0.00 C ATOM 428 C VAL A 24 -2.107 10.368 -3.678 1.00 0.00 C ATOM 429 O VAL A 24 -1.528 9.931 -2.684 1.00 0.00 O ATOM 430 CB VAL A 24 -4.347 9.157 -3.760 1.00 0.00 C ATOM 431 CG1 VAL A 24 -5.865 9.320 -3.581 1.00 0.00 C ATOM 432 CG2 VAL A 24 -4.049 8.439 -5.081 1.00 0.00 C ATOM 0 H VAL A 24 -4.701 10.926 -5.398 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.883 10.971 -2.707 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.957 8.540 -2.950 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.346 8.345 -3.651 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.071 9.757 -2.604 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.255 9.974 -4.361 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.573 7.483 -5.102 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.385 9.056 -5.914 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.976 8.266 -5.167 1.00 0.00 H new ATOM 442 N GLN A 25 -1.450 10.767 -4.776 1.00 0.00 N ATOM 443 CA GLN A 25 -0.014 10.640 -4.993 1.00 0.00 C ATOM 444 C GLN A 25 0.820 11.686 -4.239 1.00 0.00 C ATOM 445 O GLN A 25 1.911 12.050 -4.674 1.00 0.00 O ATOM 446 CB GLN A 25 0.245 10.688 -6.503 1.00 0.00 C ATOM 447 CG GLN A 25 1.320 9.672 -6.888 1.00 0.00 C ATOM 448 CD GLN A 25 0.796 8.235 -6.891 1.00 0.00 C ATOM 449 OE1 GLN A 25 -0.322 7.958 -6.462 1.00 0.00 O ATOM 450 NE2 GLN A 25 1.611 7.313 -7.396 1.00 0.00 N ATOM 0 H GLN A 25 -1.929 11.203 -5.564 1.00 0.00 H new ATOM 0 HA GLN A 25 0.312 9.685 -4.581 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.677 10.475 -7.044 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.561 11.690 -6.793 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.708 9.916 -7.877 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.154 9.749 -6.191 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.532 7.581 -7.743 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.315 6.338 -7.437 1.00 0.00 H new ATOM 459 N GLY A 26 0.314 12.143 -3.093 1.00 0.00 N ATOM 460 CA GLY A 26 0.968 13.091 -2.210 1.00 0.00 C ATOM 461 C GLY A 26 0.322 13.134 -0.824 1.00 0.00 C ATOM 462 O GLY A 26 0.467 14.135 -0.126 1.00 0.00 O ATOM 0 H GLY A 26 -0.599 11.847 -2.747 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.020 12.825 -2.110 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.932 14.085 -2.656 1.00 0.00 H new ATOM 466 N VAL A 27 -0.357 12.053 -0.411 1.00 0.00 N ATOM 467 CA VAL A 27 -0.816 11.846 0.958 1.00 0.00 C ATOM 468 C VAL A 27 -0.561 10.384 1.343 1.00 0.00 C ATOM 469 O VAL A 27 -0.198 9.569 0.493 1.00 0.00 O ATOM 470 CB VAL A 27 -2.289 12.265 1.147 1.00 0.00 C ATOM 471 CG1 VAL A 27 -2.513 13.746 0.816 1.00 0.00 C ATOM 472 CG2 VAL A 27 -3.269 11.433 0.316 1.00 0.00 C ATOM 0 H VAL A 27 -0.604 11.287 -1.037 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.251 12.490 1.632 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.491 12.085 2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.564 13.997 0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.898 14.362 1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.237 13.933 -0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.286 11.781 0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.031 11.541 -0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.188 10.384 0.601 1.00 0.00 H new ATOM 482 N GLY A 28 -0.727 10.055 2.630 1.00 0.00 N ATOM 483 CA GLY A 28 -0.293 8.786 3.200 1.00 0.00 C ATOM 484 C GLY A 28 -1.237 7.609 2.933 1.00 0.00 C ATOM 485 O GLY A 28 -1.301 6.700 3.764 1.00 0.00 O ATOM 0 H GLY A 28 -1.172 10.674 3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.692 8.542 2.802 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.180 8.907 4.277 1.00 0.00 H new ATOM 489 N PHE A 29 -1.917 7.568 1.774 1.00 0.00 N ATOM 490 CA PHE A 29 -2.738 6.432 1.339 1.00 0.00 C ATOM 491 C PHE A 29 -1.850 5.304 0.781 1.00 0.00 C ATOM 492 O PHE A 29 -2.127 4.733 -0.272 1.00 0.00 O ATOM 493 CB PHE A 29 -3.774 6.913 0.308 1.00 0.00 C ATOM 494 CG PHE A 29 -4.862 5.927 -0.110 1.00 0.00 C ATOM 495 CD1 PHE A 29 -5.019 4.667 0.508 1.00 0.00 C ATOM 496 CD2 PHE A 29 -5.712 6.276 -1.176 1.00 0.00 C ATOM 497 CE1 PHE A 29 -5.910 3.723 -0.032 1.00 0.00 C ATOM 498 CE2 PHE A 29 -6.691 5.376 -1.630 1.00 0.00 C ATOM 499 CZ PHE A 29 -6.727 4.069 -1.119 1.00 0.00 C ATOM 0 H PHE A 29 -1.909 8.338 1.105 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.275 6.021 2.194 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.261 7.801 0.710 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.237 7.222 -0.589 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.454 4.428 1.397 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.611 7.242 -1.648 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.966 2.731 0.390 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -7.413 5.689 -2.370 1.00 0.00 H new ATOM 0 HZ PHE A 29 -7.381 3.332 -1.561 1.00 0.00 H new ATOM 509 N ARG A 30 -0.775 4.995 1.510 1.00 0.00 N ATOM 510 CA ARG A 30 0.259 4.019 1.207 1.00 0.00 C ATOM 511 C ARG A 30 0.617 3.341 2.528 1.00 0.00 C ATOM 512 O ARG A 30 0.668 2.116 2.594 1.00 0.00 O ATOM 513 CB ARG A 30 1.478 4.729 0.593 1.00 0.00 C ATOM 514 CG ARG A 30 1.206 5.191 -0.847 1.00 0.00 C ATOM 515 CD ARG A 30 1.642 6.635 -1.098 1.00 0.00 C ATOM 516 NE ARG A 30 3.103 6.775 -1.104 1.00 0.00 N ATOM 517 CZ ARG A 30 3.753 7.936 -1.297 1.00 0.00 C ATOM 518 NH1 ARG A 30 3.082 9.097 -1.355 1.00 0.00 N ATOM 519 NH2 ARG A 30 5.084 7.934 -1.440 1.00 0.00 N ATOM 0 H ARG A 30 -0.597 5.463 2.399 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.080 3.279 0.482 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.744 5.590 1.206 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.334 4.054 0.602 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.730 4.532 -1.540 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.141 5.096 -1.059 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.241 6.974 -2.053 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.219 7.280 -0.328 1.00 0.00 H new ATOM 0 HE ARG A 30 3.662 5.936 -0.952 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.067 9.105 -1.252 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.587 9.971 -1.502 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.600 7.055 -1.402 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.582 8.812 -1.587 1.00 0.00 H new ATOM 533 N LYS A 31 0.801 4.144 3.585 1.00 0.00 N ATOM 534 CA LYS A 31 0.925 3.673 4.954 1.00 0.00 C ATOM 535 C LYS A 31 -0.428 3.168 5.464 1.00 0.00 C ATOM 536 O LYS A 31 -0.495 2.122 6.098 1.00 0.00 O ATOM 537 CB LYS A 31 1.465 4.792 5.851 1.00 0.00 C ATOM 538 CG LYS A 31 1.996 4.220 7.176 1.00 0.00 C ATOM 539 CD LYS A 31 2.511 5.298 8.139 1.00 0.00 C ATOM 540 CE LYS A 31 3.786 5.979 7.625 1.00 0.00 C ATOM 541 NZ LYS A 31 4.260 6.942 8.600 1.00 0.00 N ATOM 0 H LYS A 31 0.868 5.158 3.501 1.00 0.00 H new ATOM 0 HA LYS A 31 1.631 2.843 4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.263 5.326 5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.675 5.516 6.052 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.202 3.656 7.664 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.802 3.517 6.964 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.735 6.049 8.288 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.709 4.848 9.112 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.556 5.232 7.435 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.585 6.478 6.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.124 7.399 8.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.528 7.663 8.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.469 6.456 9.495 1.00 0.00 H new ATOM 554 N PHE A 32 -1.510 3.912 5.210 1.00 0.00 N ATOM 555 CA PHE A 32 -2.839 3.560 5.707 1.00 0.00 C ATOM 556 C PHE A 32 -3.243 2.138 5.293 1.00 0.00 C ATOM 557 O PHE A 32 -3.561 1.301 6.139 1.00 0.00 O ATOM 558 CB PHE A 32 -3.864 4.591 5.212 1.00 0.00 C ATOM 559 CG PHE A 32 -5.262 4.531 5.812 1.00 0.00 C ATOM 560 CD1 PHE A 32 -5.578 3.695 6.904 1.00 0.00 C ATOM 561 CD2 PHE A 32 -6.233 5.430 5.336 1.00 0.00 C ATOM 562 CE1 PHE A 32 -6.840 3.765 7.512 1.00 0.00 C ATOM 563 CE2 PHE A 32 -7.483 5.525 5.970 1.00 0.00 C ATOM 564 CZ PHE A 32 -7.788 4.700 7.064 1.00 0.00 C ATOM 0 H PHE A 32 -1.487 4.769 4.658 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.814 3.577 6.797 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.459 5.586 5.399 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.956 4.483 4.131 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.843 2.996 7.274 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.017 6.050 4.479 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.083 3.099 8.326 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.213 6.237 5.614 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.745 4.783 7.558 1.00 0.00 H new ATOM 574 N VAL A 33 -3.217 1.856 3.986 1.00 0.00 N ATOM 575 CA VAL A 33 -3.585 0.549 3.454 1.00 0.00 C ATOM 576 C VAL A 33 -2.619 -0.541 3.935 1.00 0.00 C ATOM 577 O VAL A 33 -3.042 -1.659 4.225 1.00 0.00 O ATOM 578 CB VAL A 33 -3.746 0.626 1.925 1.00 0.00 C ATOM 579 CG1 VAL A 33 -2.421 0.868 1.187 1.00 0.00 C ATOM 580 CG2 VAL A 33 -4.435 -0.635 1.389 1.00 0.00 C ATOM 0 H VAL A 33 -2.940 2.530 3.272 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.558 0.254 3.848 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.375 1.494 1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.605 0.912 0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.986 1.811 1.519 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.730 0.054 1.404 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.539 -0.560 0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.835 -1.511 1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.421 -0.731 1.843 1.00 0.00 H new ATOM 590 N GLN A 34 -1.338 -0.183 4.086 1.00 0.00 N ATOM 591 CA GLN A 34 -0.312 -0.986 4.714 1.00 0.00 C ATOM 592 C GLN A 34 -0.648 -1.351 6.167 1.00 0.00 C ATOM 593 O GLN A 34 -0.383 -2.485 6.554 1.00 0.00 O ATOM 594 CB GLN A 34 1.034 -0.248 4.563 1.00 0.00 C ATOM 595 CG GLN A 34 2.199 -0.797 5.390 1.00 0.00 C ATOM 596 CD GLN A 34 2.539 -2.229 5.029 1.00 0.00 C ATOM 597 OE1 GLN A 34 2.071 -2.683 3.866 1.00 0.00 O flip ATOM 598 NE2 GLN A 34 3.216 -2.915 5.791 1.00 0.00 N flip ATOM 0 H GLN A 34 -0.985 0.715 3.755 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.245 -1.951 4.212 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.320 -0.268 3.511 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.884 0.797 4.833 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.077 -0.169 5.238 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.947 -0.742 6.449 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.551 -2.521 6.670 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.443 -3.878 5.544 1.00 0.00 H new ATOM 607 N ILE A 35 -1.246 -0.457 6.970 1.00 0.00 N ATOM 608 CA ILE A 35 -1.645 -0.819 8.329 1.00 0.00 C ATOM 609 C ILE A 35 -2.705 -1.914 8.300 1.00 0.00 C ATOM 610 O ILE A 35 -2.494 -2.957 8.907 1.00 0.00 O ATOM 611 CB ILE A 35 -2.105 0.384 9.178 1.00 0.00 C ATOM 612 CG1 ILE A 35 -1.006 1.439 9.414 1.00 0.00 C ATOM 613 CG2 ILE A 35 -2.656 -0.105 10.533 1.00 0.00 C ATOM 614 CD1 ILE A 35 0.324 0.881 9.928 1.00 0.00 C ATOM 0 H ILE A 35 -1.459 0.504 6.704 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.752 -1.202 8.823 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.888 0.878 8.602 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.824 1.968 8.479 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.376 2.174 10.129 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.978 0.751 11.125 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.504 -0.768 10.363 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.876 -0.644 11.070 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.033 1.698 10.063 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.163 0.378 10.882 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.724 0.169 9.205 1.00 0.00 H new ATOM 626 N HIS A 36 -3.840 -1.688 7.632 1.00 0.00 N ATOM 627 CA HIS A 36 -4.969 -2.610 7.701 1.00 0.00 C ATOM 628 C HIS A 36 -4.595 -3.968 7.103 1.00 0.00 C ATOM 629 O HIS A 36 -4.955 -5.005 7.658 1.00 0.00 O ATOM 630 CB HIS A 36 -6.204 -1.984 7.046 1.00 0.00 C ATOM 631 CG HIS A 36 -6.896 -0.974 7.933 1.00 0.00 C ATOM 632 ND1 HIS A 36 -8.283 -0.984 8.084 1.00 0.00 N ATOM 633 CD2 HIS A 36 -6.379 0.019 8.728 1.00 0.00 C ATOM 634 CE1 HIS A 36 -8.548 -0.001 8.948 1.00 0.00 C ATOM 635 NE2 HIS A 36 -7.440 0.630 9.365 1.00 0.00 N ATOM 0 H HIS A 36 -3.998 -0.874 7.038 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.224 -2.795 8.744 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -5.908 -1.500 6.115 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.909 -2.773 6.785 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.335 0.275 8.835 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -9.544 0.258 9.275 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -7.391 1.408 10.023 1.00 0.00 H new ATOM 643 N ALA A 37 -3.827 -3.962 6.009 1.00 0.00 N ATOM 644 CA ALA A 37 -3.258 -5.169 5.433 1.00 0.00 C ATOM 645 C ALA A 37 -2.499 -5.997 6.473 1.00 0.00 C ATOM 646 O ALA A 37 -2.804 -7.168 6.682 1.00 0.00 O ATOM 647 CB ALA A 37 -2.317 -4.776 4.293 1.00 0.00 C ATOM 0 H ALA A 37 -3.585 -3.111 5.501 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.073 -5.788 5.059 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.884 -5.674 3.853 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.876 -4.232 3.531 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.520 -4.142 4.681 1.00 0.00 H new ATOM 653 N ILE A 38 -1.506 -5.383 7.125 1.00 0.00 N ATOM 654 CA ILE A 38 -0.646 -6.051 8.095 1.00 0.00 C ATOM 655 C ILE A 38 -1.447 -6.496 9.316 1.00 0.00 C ATOM 656 O ILE A 38 -1.176 -7.565 9.862 1.00 0.00 O ATOM 657 CB ILE A 38 0.554 -5.145 8.435 1.00 0.00 C ATOM 658 CG1 ILE A 38 1.764 -5.517 7.564 1.00 0.00 C ATOM 659 CG2 ILE A 38 0.953 -5.169 9.915 1.00 0.00 C ATOM 660 CD1 ILE A 38 1.459 -5.439 6.067 1.00 0.00 C ATOM 0 H ILE A 38 -1.278 -4.398 6.989 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.239 -6.966 7.664 1.00 0.00 H new ATOM 0 HB ILE A 38 0.230 -4.127 8.221 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.593 -4.849 7.797 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.089 -6.527 7.812 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.804 -4.507 10.073 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.114 -4.833 10.524 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.225 -6.185 10.202 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.349 -5.712 5.500 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.649 -6.127 5.824 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.162 -4.423 5.809 1.00 0.00 H new ATOM 672 N ARG A 39 -2.432 -5.691 9.726 1.00 0.00 N ATOM 673 CA ARG A 39 -3.287 -5.961 10.868 1.00 0.00 C ATOM 674 C ARG A 39 -3.891 -7.363 10.734 1.00 0.00 C ATOM 675 O ARG A 39 -3.895 -8.132 11.692 1.00 0.00 O ATOM 676 CB ARG A 39 -4.349 -4.851 10.920 1.00 0.00 C ATOM 677 CG ARG A 39 -4.970 -4.614 12.296 1.00 0.00 C ATOM 678 CD ARG A 39 -6.062 -5.629 12.624 1.00 0.00 C ATOM 679 NE ARG A 39 -6.752 -5.275 13.870 1.00 0.00 N ATOM 680 CZ ARG A 39 -7.636 -6.063 14.504 1.00 0.00 C ATOM 681 NH1 ARG A 39 -7.948 -7.270 14.011 1.00 0.00 N ATOM 682 NH2 ARG A 39 -8.208 -5.637 15.638 1.00 0.00 N ATOM 0 H ARG A 39 -2.656 -4.814 9.256 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.733 -5.953 11.807 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.897 -3.920 10.577 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.145 -5.097 10.217 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.191 -4.664 13.057 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.389 -3.608 12.334 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.781 -5.672 11.806 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.624 -6.623 12.716 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.546 -4.366 14.284 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.513 -7.596 13.148 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.620 -7.862 14.499 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.971 -4.719 16.015 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.880 -6.230 16.124 1.00 0.00 H new ATOM 696 N LEU A 40 -4.354 -7.690 9.520 1.00 0.00 N ATOM 697 CA LEU A 40 -4.948 -8.979 9.179 1.00 0.00 C ATOM 698 C LEU A 40 -4.001 -9.884 8.370 1.00 0.00 C ATOM 699 O LEU A 40 -4.472 -10.797 7.694 1.00 0.00 O ATOM 700 CB LEU A 40 -6.267 -8.738 8.435 1.00 0.00 C ATOM 701 CG LEU A 40 -7.255 -7.878 9.236 1.00 0.00 C ATOM 702 CD1 LEU A 40 -8.518 -7.700 8.396 1.00 0.00 C ATOM 703 CD2 LEU A 40 -7.642 -8.511 10.579 1.00 0.00 C ATOM 0 H LEU A 40 -4.322 -7.045 8.731 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.141 -9.519 10.106 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.058 -8.251 7.483 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.730 -9.698 8.207 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.771 -6.926 9.454 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.237 -7.091 8.944 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.265 -7.206 7.458 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.955 -8.676 8.185 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.342 -7.858 11.101 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.111 -9.479 10.403 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.749 -8.646 11.189 1.00 0.00 H new ATOM 715 N GLY A 41 -2.680 -9.668 8.461 1.00 0.00 N ATOM 716 CA GLY A 41 -1.660 -10.518 7.856 1.00 0.00 C ATOM 717 C GLY A 41 -1.868 -10.725 6.355 1.00 0.00 C ATOM 718 O GLY A 41 -2.096 -11.849 5.910 1.00 0.00 O ATOM 0 H GLY A 41 -2.289 -8.876 8.971 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.679 -10.074 8.023 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.660 -11.487 8.354 1.00 0.00 H new ATOM 722 N ILE A 42 -1.780 -9.635 5.585 1.00 0.00 N ATOM 723 CA ILE A 42 -1.986 -9.606 4.146 1.00 0.00 C ATOM 724 C ILE A 42 -0.676 -9.196 3.483 1.00 0.00 C ATOM 725 O ILE A 42 0.012 -8.296 3.963 1.00 0.00 O ATOM 726 CB ILE A 42 -3.111 -8.618 3.809 1.00 0.00 C ATOM 727 CG1 ILE A 42 -4.448 -9.020 4.447 1.00 0.00 C ATOM 728 CG2 ILE A 42 -3.300 -8.391 2.310 1.00 0.00 C ATOM 729 CD1 ILE A 42 -5.036 -10.329 3.918 1.00 0.00 C ATOM 0 H ILE A 42 -1.554 -8.717 5.969 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.281 -10.588 3.777 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.784 -7.672 4.241 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.310 -9.108 5.525 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.170 -8.220 4.282 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.112 -7.682 2.149 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.380 -7.992 1.884 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.544 -9.337 1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.979 -10.535 4.424 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.211 -10.242 2.846 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.338 -11.144 4.107 1.00 0.00 H new ATOM 741 N LYS A 43 -0.347 -9.871 2.380 1.00 0.00 N ATOM 742 CA LYS A 43 0.848 -9.613 1.583 1.00 0.00 C ATOM 743 C LYS A 43 0.445 -8.794 0.358 1.00 0.00 C ATOM 744 O LYS A 43 -0.739 -8.706 0.062 1.00 0.00 O ATOM 745 CB LYS A 43 1.518 -10.929 1.185 1.00 0.00 C ATOM 746 CG LYS A 43 1.532 -11.957 2.322 1.00 0.00 C ATOM 747 CD LYS A 43 2.191 -11.399 3.592 1.00 0.00 C ATOM 748 CE LYS A 43 2.390 -12.507 4.625 1.00 0.00 C ATOM 749 NZ LYS A 43 1.110 -12.941 5.158 1.00 0.00 N ATOM 0 H LYS A 43 -0.919 -10.630 2.010 1.00 0.00 H new ATOM 0 HA LYS A 43 1.575 -9.047 2.165 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.997 -11.351 0.326 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.542 -10.729 0.870 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.510 -12.262 2.548 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.067 -12.849 1.998 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.152 -10.950 3.342 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.570 -10.609 4.013 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.905 -13.351 4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.025 -12.148 5.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.268 -13.620 5.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.589 -12.118 5.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.556 -13.396 4.404 1.00 0.00 H new ATOM 762 N GLY A 44 1.391 -8.181 -0.359 1.00 0.00 N ATOM 763 CA GLY A 44 1.049 -7.338 -1.500 1.00 0.00 C ATOM 764 C GLY A 44 2.098 -6.256 -1.697 1.00 0.00 C ATOM 765 O GLY A 44 3.284 -6.542 -1.546 1.00 0.00 O ATOM 0 H GLY A 44 2.391 -8.254 -0.169 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.974 -7.948 -2.400 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.072 -6.881 -1.342 1.00 0.00 H new ATOM 769 N TYR A 45 1.669 -5.026 -2.019 1.00 0.00 N ATOM 770 CA TYR A 45 2.558 -3.868 -2.121 1.00 0.00 C ATOM 771 C TYR A 45 1.756 -2.594 -2.417 1.00 0.00 C ATOM 772 O TYR A 45 0.739 -2.668 -3.102 1.00 0.00 O ATOM 773 CB TYR A 45 3.613 -4.070 -3.222 1.00 0.00 C ATOM 774 CG TYR A 45 4.932 -3.380 -2.966 1.00 0.00 C ATOM 775 CD1 TYR A 45 5.069 -2.015 -3.264 1.00 0.00 C ATOM 776 CD2 TYR A 45 6.022 -4.091 -2.429 1.00 0.00 C ATOM 777 CE1 TYR A 45 6.244 -1.332 -2.920 1.00 0.00 C ATOM 778 CE2 TYR A 45 7.228 -3.423 -2.162 1.00 0.00 C ATOM 779 CZ TYR A 45 7.310 -2.029 -2.326 1.00 0.00 C ATOM 780 OH TYR A 45 8.417 -1.355 -1.899 1.00 0.00 O ATOM 0 H TYR A 45 0.692 -4.810 -2.216 1.00 0.00 H new ATOM 0 HA TYR A 45 3.066 -3.763 -1.162 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.794 -5.138 -3.341 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.207 -3.708 -4.167 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.266 -1.489 -3.760 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.931 -5.147 -2.223 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.330 -0.273 -3.111 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.092 -3.980 -1.831 1.00 0.00 H new ATOM 0 HH TYR A 45 8.618 -0.627 -2.523 1.00 0.00 H new ATOM 790 N ALA A 46 2.229 -1.435 -1.927 1.00 0.00 N ATOM 791 CA ALA A 46 1.621 -0.123 -2.166 1.00 0.00 C ATOM 792 C ALA A 46 2.531 0.703 -3.070 1.00 0.00 C ATOM 793 O ALA A 46 3.271 1.562 -2.595 1.00 0.00 O ATOM 794 CB ALA A 46 1.370 0.609 -0.838 1.00 0.00 C ATOM 0 H ALA A 46 3.063 -1.388 -1.342 1.00 0.00 H new ATOM 0 HA ALA A 46 0.659 -0.262 -2.659 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.918 1.581 -1.038 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.697 0.017 -0.218 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.316 0.749 -0.315 1.00 0.00 H new ATOM 800 N LYS A 47 2.494 0.428 -4.373 1.00 0.00 N ATOM 801 CA LYS A 47 3.469 0.934 -5.324 1.00 0.00 C ATOM 802 C LYS A 47 2.983 2.271 -5.880 1.00 0.00 C ATOM 803 O LYS A 47 2.343 2.346 -6.926 1.00 0.00 O ATOM 804 CB LYS A 47 3.770 -0.154 -6.365 1.00 0.00 C ATOM 805 CG LYS A 47 4.337 0.334 -7.705 1.00 0.00 C ATOM 806 CD LYS A 47 5.099 -0.768 -8.451 1.00 0.00 C ATOM 807 CE LYS A 47 4.171 -1.909 -8.882 1.00 0.00 C ATOM 808 NZ LYS A 47 4.912 -2.881 -9.662 1.00 0.00 N ATOM 0 H LYS A 47 1.776 -0.159 -4.798 1.00 0.00 H new ATOM 0 HA LYS A 47 4.428 1.153 -4.855 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.477 -0.860 -5.929 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.850 -0.705 -6.562 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.522 0.697 -8.331 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.004 1.178 -7.529 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.585 -0.343 -9.329 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.887 -1.163 -7.810 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.738 -2.388 -8.004 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.343 -1.513 -9.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.276 -3.652 -9.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.305 -2.421 -10.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.687 -3.269 -9.088 1.00 0.00 H new ATOM 821 N ASN A 48 3.314 3.334 -5.143 1.00 0.00 N ATOM 822 CA ASN A 48 3.188 4.714 -5.571 1.00 0.00 C ATOM 823 C ASN A 48 4.105 4.975 -6.771 1.00 0.00 C ATOM 824 O ASN A 48 5.290 5.246 -6.582 1.00 0.00 O ATOM 825 CB ASN A 48 3.528 5.629 -4.384 1.00 0.00 C ATOM 826 CG ASN A 48 3.345 7.113 -4.693 1.00 0.00 C ATOM 827 OD1 ASN A 48 2.362 7.720 -4.277 1.00 0.00 O ATOM 828 ND2 ASN A 48 4.303 7.715 -5.401 1.00 0.00 N ATOM 0 H ASN A 48 3.690 3.245 -4.199 1.00 0.00 H new ATOM 0 HA ASN A 48 2.167 4.923 -5.891 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.898 5.361 -3.536 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.560 5.453 -4.082 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.232 8.710 -5.612 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.106 7.180 -5.731 1.00 0.00 H new ATOM 835 N LEU A 49 3.560 4.917 -7.994 1.00 0.00 N ATOM 836 CA LEU A 49 4.235 5.290 -9.229 1.00 0.00 C ATOM 837 C LEU A 49 4.213 6.821 -9.325 1.00 0.00 C ATOM 838 O LEU A 49 3.164 7.385 -9.628 1.00 0.00 O ATOM 839 CB LEU A 49 3.479 4.684 -10.420 1.00 0.00 C ATOM 840 CG LEU A 49 3.420 3.150 -10.397 1.00 0.00 C ATOM 841 CD1 LEU A 49 2.302 2.676 -11.331 1.00 0.00 C ATOM 842 CD2 LEU A 49 4.756 2.525 -10.816 1.00 0.00 C ATOM 0 H LEU A 49 2.604 4.597 -8.148 1.00 0.00 H new ATOM 0 HA LEU A 49 5.261 4.923 -9.239 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.463 5.078 -10.432 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.957 5.007 -11.345 1.00 0.00 H new ATOM 0 HG LEU A 49 3.215 2.829 -9.376 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.255 1.587 -11.319 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.349 3.084 -10.994 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.505 3.019 -12.345 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.674 1.438 -10.787 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.005 2.843 -11.828 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.540 2.848 -10.131 1.00 0.00 H new ATOM 854 N PRO A 50 5.317 7.522 -9.024 1.00 0.00 N ATOM 855 CA PRO A 50 5.289 8.953 -8.773 1.00 0.00 C ATOM 856 C PRO A 50 4.926 9.728 -10.041 1.00 0.00 C ATOM 857 O PRO A 50 5.235 9.289 -11.146 1.00 0.00 O ATOM 858 CB PRO A 50 6.682 9.295 -8.252 1.00 0.00 C ATOM 859 CG PRO A 50 7.568 8.252 -8.933 1.00 0.00 C ATOM 860 CD PRO A 50 6.675 7.012 -8.956 1.00 0.00 C ATOM 0 HA PRO A 50 4.525 9.232 -8.047 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.975 10.310 -8.519 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.736 9.223 -7.166 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.857 8.561 -9.938 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.488 8.077 -8.376 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.902 6.379 -9.814 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.823 6.404 -8.064 1.00 0.00 H new ATOM 868 N ASP A 51 4.219 10.854 -9.861 1.00 0.00 N ATOM 869 CA ASP A 51 3.551 11.589 -10.929 1.00 0.00 C ATOM 870 C ASP A 51 2.600 10.648 -11.681 1.00 0.00 C ATOM 871 O ASP A 51 2.675 10.509 -12.900 1.00 0.00 O ATOM 872 CB ASP A 51 4.583 12.290 -11.833 1.00 0.00 C ATOM 873 CG ASP A 51 3.936 13.175 -12.896 1.00 0.00 C ATOM 874 OD1 ASP A 51 3.050 13.964 -12.572 1.00 0.00 O ATOM 875 OD2 ASP A 51 4.408 13.022 -14.167 1.00 0.00 O ATOM 0 H ASP A 51 4.097 11.283 -8.944 1.00 0.00 H new ATOM 0 HA ASP A 51 2.938 12.388 -10.513 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.246 12.897 -11.216 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.202 11.537 -12.321 1.00 0.00 H new ATOM 881 N GLY A 52 1.714 9.982 -10.930 1.00 0.00 N ATOM 882 CA GLY A 52 0.793 8.995 -11.458 1.00 0.00 C ATOM 883 C GLY A 52 -0.171 8.530 -10.368 1.00 0.00 C ATOM 884 O GLY A 52 -0.756 9.352 -9.664 1.00 0.00 O ATOM 0 H GLY A 52 1.624 10.123 -9.924 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.233 9.420 -12.291 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.348 8.143 -11.849 1.00 0.00 H new ATOM 888 N SER A 53 -0.346 7.209 -10.261 1.00 0.00 N ATOM 889 CA SER A 53 -1.366 6.547 -9.455 1.00 0.00 C ATOM 890 C SER A 53 -0.715 5.510 -8.539 1.00 0.00 C ATOM 891 O SER A 53 0.326 4.950 -8.889 1.00 0.00 O ATOM 892 CB SER A 53 -2.376 5.888 -10.402 1.00 0.00 C ATOM 893 OG SER A 53 -1.718 5.175 -11.429 1.00 0.00 O ATOM 0 H SER A 53 0.249 6.546 -10.758 1.00 0.00 H new ATOM 0 HA SER A 53 -1.882 7.270 -8.823 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.019 5.211 -9.839 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.021 6.650 -10.839 1.00 0.00 H new ATOM 0 HG SER A 53 -2.193 5.308 -12.276 1.00 0.00 H new ATOM 899 N VAL A 54 -1.308 5.265 -7.362 1.00 0.00 N ATOM 900 CA VAL A 54 -0.796 4.272 -6.427 1.00 0.00 C ATOM 901 C VAL A 54 -1.417 2.912 -6.740 1.00 0.00 C ATOM 902 O VAL A 54 -2.632 2.726 -6.669 1.00 0.00 O ATOM 903 CB VAL A 54 -0.892 4.727 -4.958 1.00 0.00 C ATOM 904 CG1 VAL A 54 -2.305 5.043 -4.462 1.00 0.00 C ATOM 905 CG2 VAL A 54 -0.272 3.674 -4.029 1.00 0.00 C ATOM 0 H VAL A 54 -2.147 5.748 -7.040 1.00 0.00 H new ATOM 0 HA VAL A 54 0.279 4.159 -6.567 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.338 5.666 -4.929 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.263 5.353 -3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.730 5.847 -5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.929 4.154 -4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.348 4.011 -2.995 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.804 2.730 -4.143 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.777 3.533 -4.288 1.00 0.00 H new ATOM 915 N GLU A 55 -0.550 1.980 -7.140 1.00 0.00 N ATOM 916 CA GLU A 55 -0.898 0.643 -7.572 1.00 0.00 C ATOM 917 C GLU A 55 -0.835 -0.257 -6.340 1.00 0.00 C ATOM 918 O GLU A 55 0.252 -0.619 -5.890 1.00 0.00 O ATOM 919 CB GLU A 55 0.105 0.235 -8.665 1.00 0.00 C ATOM 920 CG GLU A 55 -0.295 -1.019 -9.451 1.00 0.00 C ATOM 921 CD GLU A 55 -0.224 -2.285 -8.603 1.00 0.00 C ATOM 922 OE1 GLU A 55 0.838 -2.893 -8.508 1.00 0.00 O ATOM 923 OE2 GLU A 55 -1.387 -2.648 -7.996 1.00 0.00 O ATOM 0 H GLU A 55 0.455 2.153 -7.170 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.900 0.569 -7.996 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.222 1.065 -9.362 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.078 0.066 -8.204 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.309 -0.897 -9.833 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.360 -1.127 -10.315 1.00 0.00 H new ATOM 931 N VAL A 56 -2.003 -0.609 -5.793 1.00 0.00 N ATOM 932 CA VAL A 56 -2.110 -1.426 -4.592 1.00 0.00 C ATOM 933 C VAL A 56 -2.408 -2.877 -4.976 1.00 0.00 C ATOM 934 O VAL A 56 -3.313 -3.128 -5.766 1.00 0.00 O ATOM 935 CB VAL A 56 -3.187 -0.850 -3.662 1.00 0.00 C ATOM 936 CG1 VAL A 56 -3.351 -1.719 -2.408 1.00 0.00 C ATOM 937 CG2 VAL A 56 -2.821 0.578 -3.236 1.00 0.00 C ATOM 0 H VAL A 56 -2.905 -0.330 -6.179 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.163 -1.412 -4.052 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.127 -0.838 -4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.120 -1.289 -1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.644 -2.727 -2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.406 -1.758 -1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.595 0.971 -2.577 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.867 0.567 -2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.740 1.212 -4.119 1.00 0.00 H new ATOM 947 N VAL A 57 -1.663 -3.821 -4.387 1.00 0.00 N ATOM 948 CA VAL A 57 -1.945 -5.254 -4.399 1.00 0.00 C ATOM 949 C VAL A 57 -2.197 -5.670 -2.948 1.00 0.00 C ATOM 950 O VAL A 57 -1.568 -5.110 -2.052 1.00 0.00 O ATOM 951 CB VAL A 57 -0.754 -6.039 -4.988 1.00 0.00 C ATOM 952 CG1 VAL A 57 -1.089 -7.533 -5.116 1.00 0.00 C ATOM 953 CG2 VAL A 57 -0.335 -5.500 -6.361 1.00 0.00 C ATOM 0 H VAL A 57 -0.814 -3.594 -3.869 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.813 -5.472 -5.022 1.00 0.00 H new ATOM 0 HB VAL A 57 0.077 -5.909 -4.295 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.233 -8.063 -5.534 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.323 -7.939 -4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.949 -7.658 -5.774 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.506 -6.081 -6.739 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.172 -5.580 -7.054 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.041 -4.455 -6.267 1.00 0.00 H new ATOM 963 N ALA A 58 -3.097 -6.637 -2.709 1.00 0.00 N ATOM 964 CA ALA A 58 -3.368 -7.145 -1.368 1.00 0.00 C ATOM 965 C ALA A 58 -3.931 -8.571 -1.433 1.00 0.00 C ATOM 966 O ALA A 58 -4.976 -8.785 -2.034 1.00 0.00 O ATOM 967 CB ALA A 58 -4.346 -6.215 -0.647 1.00 0.00 C ATOM 0 H ALA A 58 -3.651 -7.082 -3.440 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.433 -7.175 -0.809 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.544 -6.600 0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.912 -5.218 -0.573 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.280 -6.164 -1.207 1.00 0.00 H new ATOM 973 N GLU A 59 -3.239 -9.545 -0.831 1.00 0.00 N ATOM 974 CA GLU A 59 -3.463 -10.974 -1.013 1.00 0.00 C ATOM 975 C GLU A 59 -4.065 -11.594 0.244 1.00 0.00 C ATOM 976 O GLU A 59 -3.351 -11.759 1.233 1.00 0.00 O ATOM 977 CB GLU A 59 -2.141 -11.673 -1.355 1.00 0.00 C ATOM 978 CG GLU A 59 -1.540 -11.139 -2.659 1.00 0.00 C ATOM 979 CD GLU A 59 -0.421 -12.042 -3.172 1.00 0.00 C ATOM 980 OE1 GLU A 59 0.448 -12.439 -2.398 1.00 0.00 O ATOM 981 OE2 GLU A 59 -0.482 -12.366 -4.496 1.00 0.00 O ATOM 0 H GLU A 59 -2.480 -9.346 -0.180 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.166 -11.108 -1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.431 -11.528 -0.541 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.309 -12.746 -1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.321 -11.061 -3.415 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.152 -10.134 -2.497 1.00 0.00 H new ATOM 989 N GLY A 60 -5.355 -11.954 0.211 1.00 0.00 N ATOM 990 CA GLY A 60 -6.023 -12.530 1.369 1.00 0.00 C ATOM 991 C GLY A 60 -7.086 -13.552 0.995 1.00 0.00 C ATOM 992 O GLY A 60 -7.427 -13.735 -0.171 1.00 0.00 O ATOM 0 H GLY A 60 -5.952 -11.853 -0.610 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.281 -13.004 2.011 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.483 -11.731 1.950 1.00 0.00 H new ATOM 996 N TYR A 61 -7.646 -14.179 2.032 1.00 0.00 N ATOM 997 CA TYR A 61 -8.919 -14.865 1.968 1.00 0.00 C ATOM 998 C TYR A 61 -10.032 -13.815 1.886 1.00 0.00 C ATOM 999 O TYR A 61 -9.776 -12.622 2.036 1.00 0.00 O ATOM 1000 CB TYR A 61 -9.060 -15.720 3.229 1.00 0.00 C ATOM 1001 CG TYR A 61 -8.218 -16.979 3.220 1.00 0.00 C ATOM 1002 CD1 TYR A 61 -6.898 -16.956 3.708 1.00 0.00 C ATOM 1003 CD2 TYR A 61 -8.755 -18.178 2.714 1.00 0.00 C ATOM 1004 CE1 TYR A 61 -6.116 -18.123 3.678 1.00 0.00 C ATOM 1005 CE2 TYR A 61 -7.977 -19.348 2.700 1.00 0.00 C ATOM 1006 CZ TYR A 61 -6.652 -19.317 3.167 1.00 0.00 C ATOM 1007 OH TYR A 61 -5.882 -20.443 3.122 1.00 0.00 O ATOM 0 H TYR A 61 -7.211 -14.219 2.954 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.985 -15.510 1.092 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -8.785 -15.118 4.095 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -10.107 -15.997 3.352 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.486 -16.040 4.106 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -9.766 -18.199 2.336 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -5.102 -18.102 4.048 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.398 -20.271 2.330 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.403 -21.181 2.742 1.00 0.00 H new ATOM 1017 N GLU A 62 -11.277 -14.254 1.680 1.00 0.00 N ATOM 1018 CA GLU A 62 -12.418 -13.347 1.634 1.00 0.00 C ATOM 1019 C GLU A 62 -12.783 -12.814 3.022 1.00 0.00 C ATOM 1020 O GLU A 62 -13.271 -11.689 3.131 1.00 0.00 O ATOM 1021 CB GLU A 62 -13.633 -14.024 1.008 1.00 0.00 C ATOM 1022 CG GLU A 62 -13.387 -14.455 -0.440 1.00 0.00 C ATOM 1023 CD GLU A 62 -14.631 -15.093 -1.048 1.00 0.00 C ATOM 1024 OE1 GLU A 62 -15.223 -14.519 -1.960 1.00 0.00 O ATOM 1025 OE2 GLU A 62 -15.001 -16.294 -0.519 1.00 0.00 O ATOM 0 H GLU A 62 -11.517 -15.236 1.542 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.121 -12.502 1.013 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.904 -14.897 1.602 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.482 -13.341 1.040 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.092 -13.590 -1.034 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.559 -15.163 -0.475 1.00 0.00 H new ATOM 1033 N GLU A 63 -12.531 -13.602 4.077 1.00 0.00 N ATOM 1034 CA GLU A 63 -12.800 -13.212 5.448 1.00 0.00 C ATOM 1035 C GLU A 63 -11.942 -12.028 5.902 1.00 0.00 C ATOM 1036 O GLU A 63 -12.303 -11.376 6.876 1.00 0.00 O ATOM 1037 CB GLU A 63 -12.696 -14.441 6.362 1.00 0.00 C ATOM 1038 CG GLU A 63 -11.303 -15.087 6.463 1.00 0.00 C ATOM 1039 CD GLU A 63 -10.285 -14.262 7.248 1.00 0.00 C ATOM 1040 OE1 GLU A 63 -10.623 -13.705 8.290 1.00 0.00 O ATOM 1041 OE2 GLU A 63 -9.031 -14.206 6.717 1.00 0.00 O ATOM 0 H GLU A 63 -12.130 -14.536 3.990 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.822 -12.840 5.515 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.015 -14.153 7.364 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.400 -15.194 6.007 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.402 -16.065 6.934 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.919 -15.255 5.457 1.00 0.00 H new ATOM 1049 N ALA A 64 -10.842 -11.731 5.194 1.00 0.00 N ATOM 1050 CA ALA A 64 -10.035 -10.534 5.390 1.00 0.00 C ATOM 1051 C ALA A 64 -9.999 -9.648 4.142 1.00 0.00 C ATOM 1052 O ALA A 64 -9.423 -8.563 4.207 1.00 0.00 O ATOM 1053 CB ALA A 64 -8.624 -10.964 5.793 1.00 0.00 C ATOM 0 H ALA A 64 -10.487 -12.336 4.453 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.486 -9.932 6.179 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.004 -10.081 5.944 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.669 -11.539 6.718 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.192 -11.580 5.004 1.00 0.00 H new ATOM 1059 N LEU A 65 -10.623 -10.056 3.022 1.00 0.00 N ATOM 1060 CA LEU A 65 -10.693 -9.187 1.856 1.00 0.00 C ATOM 1061 C LEU A 65 -11.593 -8.012 2.197 1.00 0.00 C ATOM 1062 O LEU A 65 -11.131 -6.879 2.215 1.00 0.00 O ATOM 1063 CB LEU A 65 -11.193 -9.923 0.618 1.00 0.00 C ATOM 1064 CG LEU A 65 -11.247 -9.003 -0.605 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -9.877 -8.438 -1.000 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -11.807 -9.821 -1.760 1.00 0.00 C ATOM 0 H LEU A 65 -11.074 -10.964 2.910 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.691 -8.835 1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.538 -10.769 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.186 -10.329 0.812 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.873 -8.144 -0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.987 -7.795 -1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.470 -7.859 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.200 -9.258 -1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.862 -9.199 -2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.156 -10.674 -1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.805 -10.176 -1.504 1.00 0.00 H new ATOM 1078 N SER A 66 -12.864 -8.307 2.486 1.00 0.00 N ATOM 1079 CA SER A 66 -13.893 -7.351 2.867 1.00 0.00 C ATOM 1080 C SER A 66 -13.396 -6.300 3.861 1.00 0.00 C ATOM 1081 O SER A 66 -13.694 -5.123 3.696 1.00 0.00 O ATOM 1082 CB SER A 66 -15.085 -8.129 3.439 1.00 0.00 C ATOM 1083 OG SER A 66 -14.661 -9.048 4.429 1.00 0.00 O ATOM 0 H SER A 66 -13.214 -9.265 2.458 1.00 0.00 H new ATOM 0 HA SER A 66 -14.191 -6.794 1.979 1.00 0.00 H new ATOM 0 HB2 SER A 66 -15.806 -7.433 3.868 1.00 0.00 H new ATOM 0 HB3 SER A 66 -15.595 -8.662 2.637 1.00 0.00 H new ATOM 0 HG SER A 66 -14.309 -9.854 3.997 1.00 0.00 H new ATOM 1089 N LYS A 67 -12.623 -6.711 4.871 1.00 0.00 N ATOM 1090 CA LYS A 67 -12.049 -5.800 5.850 1.00 0.00 C ATOM 1091 C LYS A 67 -11.064 -4.823 5.197 1.00 0.00 C ATOM 1092 O LYS A 67 -11.187 -3.614 5.386 1.00 0.00 O ATOM 1093 CB LYS A 67 -11.384 -6.591 6.987 1.00 0.00 C ATOM 1094 CG LYS A 67 -12.407 -7.088 8.019 1.00 0.00 C ATOM 1095 CD LYS A 67 -12.887 -8.505 7.698 1.00 0.00 C ATOM 1096 CE LYS A 67 -14.178 -8.873 8.438 1.00 0.00 C ATOM 1097 NZ LYS A 67 -15.295 -8.101 7.926 1.00 0.00 N ATOM 0 H LYS A 67 -12.381 -7.689 5.028 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.856 -5.203 6.275 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.847 -7.443 6.570 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.646 -5.961 7.483 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.960 -7.071 9.013 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.260 -6.410 8.042 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.050 -8.595 6.624 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.106 -9.218 7.962 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.380 -9.938 8.321 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.058 -8.687 9.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.188 -8.566 8.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.271 -7.144 8.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.228 -8.039 6.890 1.00 0.00 H new ATOM 1110 N LEU A 68 -10.099 -5.337 4.426 1.00 0.00 N ATOM 1111 CA LEU A 68 -9.080 -4.548 3.741 1.00 0.00 C ATOM 1112 C LEU A 68 -9.678 -3.730 2.587 1.00 0.00 C ATOM 1113 O LEU A 68 -9.134 -2.693 2.211 1.00 0.00 O ATOM 1114 CB LEU A 68 -7.990 -5.525 3.274 1.00 0.00 C ATOM 1115 CG LEU A 68 -6.680 -4.934 2.723 1.00 0.00 C ATOM 1116 CD1 LEU A 68 -6.701 -4.726 1.208 1.00 0.00 C ATOM 1117 CD2 LEU A 68 -6.229 -3.645 3.416 1.00 0.00 C ATOM 0 H LEU A 68 -10.007 -6.339 4.260 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.646 -3.809 4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.738 -6.171 4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.421 -6.162 2.501 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.942 -5.702 2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.748 -4.307 0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.864 -5.683 0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.506 -4.040 0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.299 -3.297 2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.997 -2.881 3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.069 -3.839 4.477 1.00 0.00 H new ATOM 1129 N LEU A 69 -10.815 -4.166 2.040 1.00 0.00 N ATOM 1130 CA LEU A 69 -11.514 -3.513 0.962 1.00 0.00 C ATOM 1131 C LEU A 69 -12.285 -2.316 1.526 1.00 0.00 C ATOM 1132 O LEU A 69 -12.027 -1.171 1.155 1.00 0.00 O ATOM 1133 CB LEU A 69 -12.433 -4.582 0.350 1.00 0.00 C ATOM 1134 CG LEU A 69 -13.075 -4.264 -0.997 1.00 0.00 C ATOM 1135 CD1 LEU A 69 -14.016 -3.059 -0.949 1.00 0.00 C ATOM 1136 CD2 LEU A 69 -12.053 -4.110 -2.127 1.00 0.00 C ATOM 0 H LEU A 69 -11.281 -5.016 2.357 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.852 -3.119 0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -11.856 -5.500 0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.231 -4.790 1.063 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.684 -5.139 -1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -14.438 -2.888 -1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.821 -3.254 -0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.460 -2.176 -0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.572 -3.885 -3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.366 -3.298 -1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.492 -5.038 -2.239 1.00 0.00 H new ATOM 1148 N GLU A 70 -13.229 -2.594 2.432 1.00 0.00 N ATOM 1149 CA GLU A 70 -14.158 -1.631 2.998 1.00 0.00 C ATOM 1150 C GLU A 70 -13.447 -0.618 3.898 1.00 0.00 C ATOM 1151 O GLU A 70 -13.928 0.505 4.009 1.00 0.00 O ATOM 1152 CB GLU A 70 -15.277 -2.369 3.742 1.00 0.00 C ATOM 1153 CG GLU A 70 -16.150 -3.181 2.774 1.00 0.00 C ATOM 1154 CD GLU A 70 -17.175 -4.026 3.525 1.00 0.00 C ATOM 1155 OE1 GLU A 70 -17.143 -5.249 3.417 1.00 0.00 O ATOM 1156 OE2 GLU A 70 -18.079 -3.341 4.280 1.00 0.00 O ATOM 0 H GLU A 70 -13.366 -3.535 2.800 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.603 -1.058 2.185 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.843 -3.034 4.489 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.897 -1.650 4.277 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -16.664 -2.505 2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.517 -3.828 2.167 1.00 0.00 H new ATOM 1164 N ARG A 71 -12.292 -0.985 4.479 1.00 0.00 N ATOM 1165 CA ARG A 71 -11.281 -0.063 5.006 1.00 0.00 C ATOM 1166 C ARG A 71 -11.250 1.229 4.193 1.00 0.00 C ATOM 1167 O ARG A 71 -11.368 2.317 4.754 1.00 0.00 O ATOM 1168 CB ARG A 71 -9.917 -0.774 5.003 1.00 0.00 C ATOM 1169 CG ARG A 71 -8.668 0.066 4.685 1.00 0.00 C ATOM 1170 CD ARG A 71 -8.491 1.321 5.554 1.00 0.00 C ATOM 1171 NE ARG A 71 -8.551 2.575 4.775 1.00 0.00 N ATOM 1172 CZ ARG A 71 -7.745 2.945 3.764 1.00 0.00 C ATOM 1173 NH1 ARG A 71 -6.729 2.171 3.368 1.00 0.00 N ATOM 1174 NH2 ARG A 71 -7.971 4.098 3.121 1.00 0.00 N ATOM 0 H ARG A 71 -12.032 -1.964 4.597 1.00 0.00 H new ATOM 0 HA ARG A 71 -11.530 0.217 6.029 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -9.774 -1.227 5.984 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.966 -1.588 4.280 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.786 -0.564 4.799 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.709 0.370 3.639 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.266 1.338 6.320 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.533 1.266 6.071 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.286 3.234 5.033 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.554 1.281 3.835 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.130 2.470 2.599 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.752 4.692 3.399 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.362 4.382 2.354 1.00 0.00 H new ATOM 1188 N ILE A 72 -11.085 1.100 2.874 1.00 0.00 N ATOM 1189 CA ILE A 72 -10.883 2.239 2.002 1.00 0.00 C ATOM 1190 C ILE A 72 -12.182 3.037 1.873 1.00 0.00 C ATOM 1191 O ILE A 72 -12.192 4.229 2.167 1.00 0.00 O ATOM 1192 CB ILE A 72 -10.270 1.819 0.654 1.00 0.00 C ATOM 1193 CG1 ILE A 72 -9.030 0.919 0.836 1.00 0.00 C ATOM 1194 CG2 ILE A 72 -9.855 3.091 -0.094 1.00 0.00 C ATOM 1195 CD1 ILE A 72 -8.575 0.271 -0.474 1.00 0.00 C ATOM 0 H ILE A 72 -11.089 0.202 2.390 1.00 0.00 H new ATOM 0 HA ILE A 72 -10.148 2.909 2.448 1.00 0.00 H new ATOM 0 HB ILE A 72 -11.013 1.248 0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.213 1.512 1.247 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -9.255 0.139 1.564 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.417 2.821 -1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.731 3.719 -0.258 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.122 3.639 0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.700 -0.351 -0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.380 -0.346 -0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.321 1.048 -1.195 1.00 0.00 H new ATOM 1207 N LYS A 73 -13.268 2.393 1.434 1.00 0.00 N ATOM 1208 CA LYS A 73 -14.524 3.079 1.151 1.00 0.00 C ATOM 1209 C LYS A 73 -15.046 3.798 2.401 1.00 0.00 C ATOM 1210 O LYS A 73 -15.397 4.974 2.338 1.00 0.00 O ATOM 1211 CB LYS A 73 -15.561 2.077 0.616 1.00 0.00 C ATOM 1212 CG LYS A 73 -15.350 1.685 -0.858 1.00 0.00 C ATOM 1213 CD LYS A 73 -14.047 0.911 -1.105 1.00 0.00 C ATOM 1214 CE LYS A 73 -13.889 0.411 -2.547 1.00 0.00 C ATOM 1215 NZ LYS A 73 -14.932 -0.532 -2.905 1.00 0.00 N ATOM 0 H LYS A 73 -13.297 1.387 1.267 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.346 3.835 0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.531 1.176 1.229 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -16.557 2.506 0.728 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -16.192 1.077 -1.188 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.349 2.587 -1.469 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.201 1.553 -0.858 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.008 0.058 -0.428 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.915 1.259 -3.231 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.914 -0.063 -2.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.527 -1.293 -3.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.344 -0.938 -2.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.673 -0.041 -3.445 1.00 0.00 H new ATOM 1228 N GLN A 74 -15.082 3.083 3.533 1.00 0.00 N ATOM 1229 CA GLN A 74 -15.555 3.583 4.819 1.00 0.00 C ATOM 1230 C GLN A 74 -14.601 4.635 5.390 1.00 0.00 C ATOM 1231 O GLN A 74 -15.059 5.643 5.927 1.00 0.00 O ATOM 1232 CB GLN A 74 -15.728 2.402 5.790 1.00 0.00 C ATOM 1233 CG GLN A 74 -16.244 2.787 7.185 1.00 0.00 C ATOM 1234 CD GLN A 74 -17.626 3.435 7.158 1.00 0.00 C ATOM 1235 OE1 GLN A 74 -18.636 2.757 7.332 1.00 0.00 O ATOM 1236 NE2 GLN A 74 -17.676 4.754 6.960 1.00 0.00 N ATOM 0 H GLN A 74 -14.772 2.112 3.574 1.00 0.00 H new ATOM 0 HA GLN A 74 -16.519 4.071 4.678 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -16.419 1.684 5.348 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.769 1.896 5.899 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -16.280 1.895 7.811 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -15.537 3.474 7.650 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -16.814 5.282 6.819 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -18.576 5.234 6.949 1.00 0.00 H new ATOM 1245 N GLY A 75 -13.286 4.392 5.290 1.00 0.00 N ATOM 1246 CA GLY A 75 -12.233 5.275 5.771 1.00 0.00 C ATOM 1247 C GLY A 75 -11.417 5.810 4.590 1.00 0.00 C ATOM 1248 O GLY A 75 -10.335 5.284 4.325 1.00 0.00 O ATOM 0 H GLY A 75 -12.922 3.544 4.856 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.669 6.104 6.328 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.582 4.736 6.459 1.00 0.00 H new ATOM 1252 N PRO A 76 -11.918 6.824 3.863 1.00 0.00 N ATOM 1253 CA PRO A 76 -11.298 7.326 2.642 1.00 0.00 C ATOM 1254 C PRO A 76 -10.021 8.121 2.934 1.00 0.00 C ATOM 1255 O PRO A 76 -9.795 8.535 4.071 1.00 0.00 O ATOM 1256 CB PRO A 76 -12.367 8.210 1.986 1.00 0.00 C ATOM 1257 CG PRO A 76 -13.174 8.720 3.175 1.00 0.00 C ATOM 1258 CD PRO A 76 -13.172 7.517 4.112 1.00 0.00 C ATOM 0 HA PRO A 76 -10.985 6.511 1.990 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -11.921 9.029 1.421 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.987 7.644 1.291 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.712 9.594 3.635 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -14.185 9.008 2.886 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -13.245 7.832 5.153 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -14.024 6.867 3.915 1.00 0.00 H new ATOM 1266 N PRO A 77 -9.177 8.344 1.912 1.00 0.00 N ATOM 1267 CA PRO A 77 -7.945 9.109 2.034 1.00 0.00 C ATOM 1268 C PRO A 77 -8.232 10.609 2.128 1.00 0.00 C ATOM 1269 O PRO A 77 -9.306 11.068 1.743 1.00 0.00 O ATOM 1270 CB PRO A 77 -7.163 8.791 0.759 1.00 0.00 C ATOM 1271 CG PRO A 77 -8.274 8.587 -0.271 1.00 0.00 C ATOM 1272 CD PRO A 77 -9.331 7.853 0.550 1.00 0.00 C ATOM 0 HA PRO A 77 -7.393 8.849 2.937 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.495 9.606 0.479 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.547 7.899 0.873 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.646 9.533 -0.664 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.937 7.998 -1.124 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -10.333 8.056 0.171 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.185 6.774 0.503 1.00 0.00 H new ATOM 1280 N ALA A 78 -7.242 11.375 2.602 1.00 0.00 N ATOM 1281 CA ALA A 78 -7.308 12.827 2.683 1.00 0.00 C ATOM 1282 C ALA A 78 -6.809 13.475 1.383 1.00 0.00 C ATOM 1283 O ALA A 78 -6.092 14.473 1.423 1.00 0.00 O ATOM 1284 CB ALA A 78 -6.516 13.295 3.909 1.00 0.00 C ATOM 0 H ALA A 78 -6.361 10.991 2.944 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.344 13.143 2.802 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.560 14.382 3.977 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.947 12.857 4.809 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.477 12.979 3.813 1.00 0.00 H new ATOM 1290 N ALA A 79 -7.201 12.917 0.229 1.00 0.00 N ATOM 1291 CA ALA A 79 -6.906 13.449 -1.092 1.00 0.00 C ATOM 1292 C ALA A 79 -8.076 13.161 -2.032 1.00 0.00 C ATOM 1293 O ALA A 79 -8.912 12.303 -1.750 1.00 0.00 O ATOM 1294 CB ALA A 79 -5.623 12.833 -1.633 1.00 0.00 C ATOM 0 H ALA A 79 -7.748 12.057 0.197 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.765 14.528 -1.022 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.413 13.239 -2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.796 13.066 -0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.740 11.751 -1.702 1.00 0.00 H new ATOM 1300 N GLU A 80 -8.118 13.880 -3.160 1.00 0.00 N ATOM 1301 CA GLU A 80 -9.148 13.752 -4.177 1.00 0.00 C ATOM 1302 C GLU A 80 -8.910 12.469 -4.975 1.00 0.00 C ATOM 1303 O GLU A 80 -8.304 12.501 -6.045 1.00 0.00 O ATOM 1304 CB GLU A 80 -9.164 14.995 -5.085 1.00 0.00 C ATOM 1305 CG GLU A 80 -9.620 16.271 -4.357 1.00 0.00 C ATOM 1306 CD GLU A 80 -8.616 16.795 -3.330 1.00 0.00 C ATOM 1307 OE1 GLU A 80 -7.414 16.598 -3.493 1.00 0.00 O ATOM 1308 OE2 GLU A 80 -9.147 17.458 -2.264 1.00 0.00 O ATOM 0 H GLU A 80 -7.415 14.583 -3.389 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.128 13.687 -3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.165 15.153 -5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.826 14.811 -5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.809 17.050 -5.095 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.567 16.072 -3.855 1.00 0.00 H new ATOM 1316 N VAL A 81 -9.399 11.346 -4.435 1.00 0.00 N ATOM 1317 CA VAL A 81 -9.372 10.035 -5.058 1.00 0.00 C ATOM 1318 C VAL A 81 -10.324 10.008 -6.259 1.00 0.00 C ATOM 1319 O VAL A 81 -11.470 9.577 -6.154 1.00 0.00 O ATOM 1320 CB VAL A 81 -9.611 8.945 -3.993 1.00 0.00 C ATOM 1321 CG1 VAL A 81 -10.951 9.020 -3.243 1.00 0.00 C ATOM 1322 CG2 VAL A 81 -9.416 7.545 -4.589 1.00 0.00 C ATOM 0 H VAL A 81 -9.840 11.335 -3.515 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.389 9.814 -5.474 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.855 9.147 -3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.010 8.206 -2.520 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -11.023 9.974 -2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -11.772 8.933 -3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.590 6.794 -3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.121 7.396 -5.407 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.398 7.449 -4.966 1.00 0.00 H new ATOM 1332 N GLU A 82 -9.820 10.498 -7.400 1.00 0.00 N ATOM 1333 CA GLU A 82 -10.501 10.564 -8.685 1.00 0.00 C ATOM 1334 C GLU A 82 -11.302 9.293 -8.956 1.00 0.00 C ATOM 1335 O GLU A 82 -12.522 9.363 -9.096 1.00 0.00 O ATOM 1336 CB GLU A 82 -9.462 10.822 -9.784 1.00 0.00 C ATOM 1337 CG GLU A 82 -10.111 10.931 -11.167 1.00 0.00 C ATOM 1338 CD GLU A 82 -9.062 11.121 -12.256 1.00 0.00 C ATOM 1339 OE1 GLU A 82 -8.896 12.233 -12.750 1.00 0.00 O ATOM 1340 OE2 GLU A 82 -8.370 10.001 -12.614 1.00 0.00 O ATOM 0 H GLU A 82 -8.874 10.878 -7.446 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.218 11.385 -8.672 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.920 11.742 -9.563 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.730 10.014 -9.789 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.691 10.031 -11.371 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.808 11.769 -11.179 1.00 0.00 H new ATOM 1348 N LYS A 83 -10.624 8.140 -9.018 1.00 0.00 N ATOM 1349 CA LYS A 83 -11.297 6.858 -9.156 1.00 0.00 C ATOM 1350 C LYS A 83 -10.366 5.714 -8.778 1.00 0.00 C ATOM 1351 O LYS A 83 -9.229 5.667 -9.228 1.00 0.00 O ATOM 1352 CB LYS A 83 -11.858 6.674 -10.581 1.00 0.00 C ATOM 1353 CG LYS A 83 -10.785 6.718 -11.682 1.00 0.00 C ATOM 1354 CD LYS A 83 -11.386 6.640 -13.091 1.00 0.00 C ATOM 1355 CE LYS A 83 -12.052 7.952 -13.522 1.00 0.00 C ATOM 1356 NZ LYS A 83 -12.544 7.823 -14.880 1.00 0.00 N ATOM 0 H LYS A 83 -9.607 8.077 -8.974 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.141 6.845 -8.466 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.381 5.719 -10.635 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.596 7.453 -10.774 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.209 7.638 -11.587 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.090 5.890 -11.541 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.601 6.384 -13.803 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.121 5.836 -13.124 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.874 8.193 -12.848 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.337 8.772 -13.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.996 8.713 -15.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.750 7.612 -15.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.239 7.051 -14.925 1.00 0.00 H new ATOM 1369 N VAL A 84 -10.849 4.767 -7.973 1.00 0.00 N ATOM 1370 CA VAL A 84 -10.183 3.488 -7.800 1.00 0.00 C ATOM 1371 C VAL A 84 -10.835 2.479 -8.744 1.00 0.00 C ATOM 1372 O VAL A 84 -11.852 1.868 -8.420 1.00 0.00 O ATOM 1373 CB VAL A 84 -10.141 3.078 -6.320 1.00 0.00 C ATOM 1374 CG1 VAL A 84 -11.471 3.243 -5.576 1.00 0.00 C ATOM 1375 CG2 VAL A 84 -9.609 1.649 -6.192 1.00 0.00 C ATOM 0 H VAL A 84 -11.706 4.869 -7.429 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.131 3.545 -8.078 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.460 3.774 -5.830 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -11.349 2.930 -4.539 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.777 4.289 -5.606 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.234 2.628 -6.053 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.581 1.364 -5.140 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.263 0.967 -6.736 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.603 1.597 -6.609 1.00 0.00 H new ATOM 1385 N ASP A 85 -10.242 2.324 -9.933 1.00 0.00 N ATOM 1386 CA ASP A 85 -10.721 1.408 -10.954 1.00 0.00 C ATOM 1387 C ASP A 85 -10.110 0.039 -10.673 1.00 0.00 C ATOM 1388 O ASP A 85 -9.217 -0.412 -11.391 1.00 0.00 O ATOM 1389 CB ASP A 85 -10.349 1.955 -12.340 1.00 0.00 C ATOM 1390 CG ASP A 85 -10.828 1.044 -13.468 1.00 0.00 C ATOM 1391 OD1 ASP A 85 -12.004 0.688 -13.498 1.00 0.00 O ATOM 1392 OD2 ASP A 85 -9.888 0.681 -14.387 1.00 0.00 O ATOM 0 H ASP A 85 -9.407 2.841 -10.209 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.806 1.309 -10.937 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.784 2.946 -12.466 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.267 2.072 -12.404 1.00 0.00 H new ATOM 1398 N TYR A 86 -10.565 -0.599 -9.587 1.00 0.00 N ATOM 1399 CA TYR A 86 -9.972 -1.843 -9.125 1.00 0.00 C ATOM 1400 C TYR A 86 -10.394 -3.020 -9.996 1.00 0.00 C ATOM 1401 O TYR A 86 -11.389 -2.959 -10.718 1.00 0.00 O ATOM 1402 CB TYR A 86 -10.261 -2.105 -7.638 1.00 0.00 C ATOM 1403 CG TYR A 86 -11.652 -2.601 -7.288 1.00 0.00 C ATOM 1404 CD1 TYR A 86 -12.696 -1.684 -7.070 1.00 0.00 C ATOM 1405 CD2 TYR A 86 -11.857 -3.969 -7.020 1.00 0.00 C ATOM 1406 CE1 TYR A 86 -13.933 -2.128 -6.569 1.00 0.00 C ATOM 1407 CE2 TYR A 86 -13.090 -4.412 -6.511 1.00 0.00 C ATOM 1408 CZ TYR A 86 -14.127 -3.491 -6.280 1.00 0.00 C ATOM 1409 OH TYR A 86 -15.316 -3.926 -5.774 1.00 0.00 O ATOM 0 H TYR A 86 -11.343 -0.267 -9.017 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.892 -1.735 -9.221 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.538 -2.836 -7.275 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.082 -1.180 -7.089 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.547 -0.637 -7.288 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -11.065 -4.679 -7.206 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.734 -1.422 -6.406 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -13.241 -5.460 -6.297 1.00 0.00 H new ATOM 0 HH TYR A 86 -15.277 -4.895 -5.635 1.00 0.00 H new ATOM 1419 N SER A 87 -9.618 -4.100 -9.900 1.00 0.00 N ATOM 1420 CA SER A 87 -9.861 -5.352 -10.587 1.00 0.00 C ATOM 1421 C SER A 87 -9.466 -6.505 -9.670 1.00 0.00 C ATOM 1422 O SER A 87 -8.298 -6.875 -9.593 1.00 0.00 O ATOM 1423 CB SER A 87 -9.092 -5.393 -11.909 1.00 0.00 C ATOM 1424 OG SER A 87 -9.483 -4.320 -12.740 1.00 0.00 O ATOM 0 H SER A 87 -8.778 -4.120 -9.321 1.00 0.00 H new ATOM 0 HA SER A 87 -10.920 -5.445 -10.828 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.021 -5.340 -11.716 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.278 -6.340 -12.416 1.00 0.00 H new ATOM 0 HG SER A 87 -8.982 -4.358 -13.581 1.00 0.00 H new ATOM 1430 N PHE A 88 -10.463 -7.075 -8.991 1.00 0.00 N ATOM 1431 CA PHE A 88 -10.346 -8.310 -8.228 1.00 0.00 C ATOM 1432 C PHE A 88 -9.826 -9.422 -9.146 1.00 0.00 C ATOM 1433 O PHE A 88 -10.380 -9.635 -10.224 1.00 0.00 O ATOM 1434 CB PHE A 88 -11.729 -8.648 -7.657 1.00 0.00 C ATOM 1435 CG PHE A 88 -11.887 -10.049 -7.099 1.00 0.00 C ATOM 1436 CD1 PHE A 88 -12.339 -11.089 -7.934 1.00 0.00 C ATOM 1437 CD2 PHE A 88 -11.688 -10.294 -5.727 1.00 0.00 C ATOM 1438 CE1 PHE A 88 -12.594 -12.364 -7.404 1.00 0.00 C ATOM 1439 CE2 PHE A 88 -11.985 -11.559 -5.190 1.00 0.00 C ATOM 1440 CZ PHE A 88 -12.431 -12.595 -6.027 1.00 0.00 C ATOM 0 H PHE A 88 -11.401 -6.675 -8.959 1.00 0.00 H new ATOM 0 HA PHE A 88 -9.640 -8.203 -7.404 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.959 -7.934 -6.866 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.471 -8.504 -8.443 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -12.490 -10.905 -8.987 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -11.308 -9.511 -5.088 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -12.915 -13.166 -8.053 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -11.870 -11.735 -4.131 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.649 -13.568 -5.613 1.00 0.00 H new ATOM 1450 N SER A 89 -8.753 -10.101 -8.726 1.00 0.00 N ATOM 1451 CA SER A 89 -8.074 -11.134 -9.499 1.00 0.00 C ATOM 1452 C SER A 89 -7.777 -12.342 -8.599 1.00 0.00 C ATOM 1453 O SER A 89 -8.360 -12.459 -7.522 1.00 0.00 O ATOM 1454 CB SER A 89 -6.804 -10.536 -10.117 1.00 0.00 C ATOM 1455 OG SER A 89 -7.100 -9.364 -10.847 1.00 0.00 O ATOM 0 H SER A 89 -8.325 -9.939 -7.814 1.00 0.00 H new ATOM 0 HA SER A 89 -8.707 -11.489 -10.312 1.00 0.00 H new ATOM 0 HB2 SER A 89 -6.085 -10.307 -9.330 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.335 -11.269 -10.773 1.00 0.00 H new ATOM 0 HG SER A 89 -7.343 -8.645 -10.227 1.00 0.00 H new ATOM 1461 N GLU A 90 -6.870 -13.232 -9.027 1.00 0.00 N ATOM 1462 CA GLU A 90 -6.393 -14.349 -8.219 1.00 0.00 C ATOM 1463 C GLU A 90 -4.868 -14.329 -8.147 1.00 0.00 C ATOM 1464 O GLU A 90 -4.208 -13.805 -9.046 1.00 0.00 O ATOM 1465 CB GLU A 90 -6.984 -15.678 -8.717 1.00 0.00 C ATOM 1466 CG GLU A 90 -6.311 -16.254 -9.973 1.00 0.00 C ATOM 1467 CD GLU A 90 -4.992 -16.955 -9.653 1.00 0.00 C ATOM 1468 OE1 GLU A 90 -4.964 -17.823 -8.783 1.00 0.00 O ATOM 1469 OE2 GLU A 90 -3.903 -16.540 -10.359 1.00 0.00 O ATOM 0 H GLU A 90 -6.447 -13.191 -9.954 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.748 -14.243 -7.194 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.914 -16.413 -7.915 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.044 -15.533 -8.925 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.988 -16.960 -10.454 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.129 -15.450 -10.686 1.00 0.00 H new ATOM 1477 N TYR A 91 -4.320 -14.860 -7.047 1.00 0.00 N ATOM 1478 CA TYR A 91 -2.915 -14.745 -6.705 1.00 0.00 C ATOM 1479 C TYR A 91 -2.009 -15.322 -7.798 1.00 0.00 C ATOM 1480 O TYR A 91 -2.152 -16.479 -8.190 1.00 0.00 O ATOM 1481 CB TYR A 91 -2.673 -15.379 -5.326 1.00 0.00 C ATOM 1482 CG TYR A 91 -2.466 -16.882 -5.319 1.00 0.00 C ATOM 1483 CD1 TYR A 91 -3.534 -17.747 -5.624 1.00 0.00 C ATOM 1484 CD2 TYR A 91 -1.171 -17.407 -5.143 1.00 0.00 C ATOM 1485 CE1 TYR A 91 -3.304 -19.125 -5.775 1.00 0.00 C ATOM 1486 CE2 TYR A 91 -0.940 -18.784 -5.302 1.00 0.00 C ATOM 1487 CZ TYR A 91 -2.005 -19.643 -5.625 1.00 0.00 C ATOM 1488 OH TYR A 91 -1.770 -20.975 -5.797 1.00 0.00 O ATOM 0 H TYR A 91 -4.860 -15.390 -6.363 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.648 -13.690 -6.642 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -1.797 -14.908 -4.879 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.523 -15.145 -4.685 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.532 -17.351 -5.742 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -0.354 -16.750 -4.885 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -4.125 -19.787 -6.006 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.056 -19.182 -5.176 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.818 -21.160 -5.657 1.00 0.00 H new ATOM 1498 N LYS A 92 -1.071 -14.509 -8.295 1.00 0.00 N ATOM 1499 CA LYS A 92 -0.042 -14.978 -9.208 1.00 0.00 C ATOM 1500 C LYS A 92 0.983 -15.804 -8.431 1.00 0.00 C ATOM 1501 O LYS A 92 1.376 -16.880 -8.873 1.00 0.00 O ATOM 1502 CB LYS A 92 0.603 -13.793 -9.927 1.00 0.00 C ATOM 1503 CG LYS A 92 1.608 -14.316 -10.960 1.00 0.00 C ATOM 1504 CD LYS A 92 1.958 -13.257 -12.004 1.00 0.00 C ATOM 1505 CE LYS A 92 2.707 -12.068 -11.394 1.00 0.00 C ATOM 1506 NZ LYS A 92 3.106 -11.149 -12.440 1.00 0.00 N ATOM 0 H LYS A 92 -1.010 -13.515 -8.073 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.483 -15.618 -9.972 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.161 -13.191 -10.418 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.106 -13.146 -9.208 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.517 -14.638 -10.451 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.194 -15.193 -11.458 1.00 0.00 H new ATOM 0 HD2 LYS A 92 2.570 -13.708 -12.785 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.044 -12.903 -12.480 1.00 0.00 H new ATOM 0 HE2 LYS A 92 2.070 -11.557 -10.672 1.00 0.00 H new ATOM 0 HE3 LYS A 92 3.585 -12.419 -10.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 3.614 -10.344 -12.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 3.730 -11.639 -13.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.262 -10.803 -12.939 1.00 0.00 H new ATOM 1519 N GLY A 93 1.403 -15.294 -7.268 1.00 0.00 N ATOM 1520 CA GLY A 93 2.347 -15.950 -6.387 1.00 0.00 C ATOM 1521 C GLY A 93 2.239 -15.363 -4.983 1.00 0.00 C ATOM 1522 O GLY A 93 1.479 -14.424 -4.742 1.00 0.00 O ATOM 0 H GLY A 93 1.082 -14.393 -6.914 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.148 -17.021 -6.359 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.361 -15.824 -6.767 1.00 0.00 H new ATOM 1526 N GLU A 94 3.008 -15.944 -4.061 1.00 0.00 N ATOM 1527 CA GLU A 94 3.059 -15.582 -2.657 1.00 0.00 C ATOM 1528 C GLU A 94 4.077 -14.454 -2.456 1.00 0.00 C ATOM 1529 O GLU A 94 5.277 -14.699 -2.355 1.00 0.00 O ATOM 1530 CB GLU A 94 3.330 -16.830 -1.803 1.00 0.00 C ATOM 1531 CG GLU A 94 4.472 -17.728 -2.311 1.00 0.00 C ATOM 1532 CD GLU A 94 4.835 -18.843 -1.332 1.00 0.00 C ATOM 1533 OE1 GLU A 94 5.962 -19.332 -1.375 1.00 0.00 O ATOM 1534 OE2 GLU A 94 3.863 -19.232 -0.458 1.00 0.00 O ATOM 0 H GLU A 94 3.638 -16.713 -4.290 1.00 0.00 H new ATOM 0 HA GLU A 94 2.098 -15.193 -2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.562 -16.513 -0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.417 -17.423 -1.752 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.183 -18.169 -3.265 1.00 0.00 H new ATOM 0 HG3 GLU A 94 5.354 -17.115 -2.498 1.00 0.00 H new ATOM 1542 N PHE A 95 3.587 -13.209 -2.415 1.00 0.00 N ATOM 1543 CA PHE A 95 4.403 -12.009 -2.269 1.00 0.00 C ATOM 1544 C PHE A 95 5.272 -12.083 -1.010 1.00 0.00 C ATOM 1545 O PHE A 95 6.490 -11.937 -1.092 1.00 0.00 O ATOM 1546 CB PHE A 95 3.496 -10.770 -2.224 1.00 0.00 C ATOM 1547 CG PHE A 95 3.149 -10.167 -3.575 1.00 0.00 C ATOM 1548 CD1 PHE A 95 2.502 -10.934 -4.562 1.00 0.00 C ATOM 1549 CD2 PHE A 95 3.474 -8.824 -3.847 1.00 0.00 C ATOM 1550 CE1 PHE A 95 2.123 -10.344 -5.781 1.00 0.00 C ATOM 1551 CE2 PHE A 95 3.062 -8.223 -5.048 1.00 0.00 C ATOM 1552 CZ PHE A 95 2.400 -8.988 -6.022 1.00 0.00 C ATOM 0 H PHE A 95 2.589 -13.009 -2.484 1.00 0.00 H new ATOM 0 HA PHE A 95 5.069 -11.935 -3.128 1.00 0.00 H new ATOM 0 HB2 PHE A 95 2.570 -11.037 -1.716 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.983 -10.006 -1.618 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.296 -11.979 -4.383 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.043 -8.253 -3.128 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.619 -10.934 -6.532 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.254 -7.175 -5.222 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.104 -8.534 -6.956 1.00 0.00 H new ATOM 1562 N GLU A 96 4.633 -12.300 0.146 1.00 0.00 N ATOM 1563 CA GLU A 96 5.269 -12.399 1.454 1.00 0.00 C ATOM 1564 C GLU A 96 6.170 -11.197 1.749 1.00 0.00 C ATOM 1565 O GLU A 96 7.368 -11.359 1.970 1.00 0.00 O ATOM 1566 CB GLU A 96 5.981 -13.749 1.615 1.00 0.00 C ATOM 1567 CG GLU A 96 4.985 -14.908 1.508 1.00 0.00 C ATOM 1568 CD GLU A 96 5.664 -16.250 1.765 1.00 0.00 C ATOM 1569 OE1 GLU A 96 5.875 -17.010 0.825 1.00 0.00 O ATOM 1570 OE2 GLU A 96 5.990 -16.516 3.062 1.00 0.00 O ATOM 0 H GLU A 96 3.621 -12.415 0.192 1.00 0.00 H new ATOM 0 HA GLU A 96 4.488 -12.365 2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.750 -13.853 0.849 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.486 -13.786 2.580 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.178 -14.764 2.226 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.533 -14.911 0.516 1.00 0.00 H new ATOM 1578 N ASP A 97 5.543 -10.013 1.777 1.00 0.00 N ATOM 1579 CA ASP A 97 6.084 -8.698 2.127 1.00 0.00 C ATOM 1580 C ASP A 97 5.221 -7.631 1.452 1.00 0.00 C ATOM 1581 O ASP A 97 5.459 -7.288 0.297 1.00 0.00 O ATOM 1582 CB ASP A 97 7.561 -8.511 1.732 1.00 0.00 C ATOM 1583 CG ASP A 97 8.036 -7.075 1.955 1.00 0.00 C ATOM 1584 OD1 ASP A 97 8.390 -6.394 0.995 1.00 0.00 O ATOM 1585 OD2 ASP A 97 8.037 -6.641 3.249 1.00 0.00 O ATOM 0 H ASP A 97 4.555 -9.949 1.533 1.00 0.00 H new ATOM 0 HA ASP A 97 6.055 -8.607 3.213 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.181 -9.193 2.314 1.00 0.00 H new ATOM 0 HB3 ASP A 97 7.692 -8.778 0.683 1.00 0.00 H new ATOM 1591 N PHE A 98 4.243 -7.085 2.186 1.00 0.00 N ATOM 1592 CA PHE A 98 3.512 -5.901 1.765 1.00 0.00 C ATOM 1593 C PHE A 98 4.307 -4.688 2.235 1.00 0.00 C ATOM 1594 O PHE A 98 4.216 -4.321 3.402 1.00 0.00 O ATOM 1595 CB PHE A 98 2.083 -5.941 2.327 1.00 0.00 C ATOM 1596 CG PHE A 98 1.012 -5.117 1.628 1.00 0.00 C ATOM 1597 CD1 PHE A 98 1.277 -3.841 1.095 1.00 0.00 C ATOM 1598 CD2 PHE A 98 -0.309 -5.599 1.629 1.00 0.00 C ATOM 1599 CE1 PHE A 98 0.228 -3.066 0.570 1.00 0.00 C ATOM 1600 CE2 PHE A 98 -1.353 -4.831 1.093 1.00 0.00 C ATOM 1601 CZ PHE A 98 -1.085 -3.562 0.562 1.00 0.00 C ATOM 0 H PHE A 98 3.942 -7.458 3.087 1.00 0.00 H new ATOM 0 HA PHE A 98 3.406 -5.851 0.681 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.755 -6.980 2.329 1.00 0.00 H new ATOM 0 HB3 PHE A 98 2.125 -5.618 3.367 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.287 -3.457 1.089 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.522 -6.572 2.047 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.434 -2.084 0.171 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.362 -5.217 1.089 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.886 -2.968 0.148 1.00 0.00 H new ATOM 1611 N GLU A 99 5.105 -4.093 1.342 1.00 0.00 N ATOM 1612 CA GLU A 99 5.863 -2.878 1.624 1.00 0.00 C ATOM 1613 C GLU A 99 5.387 -1.757 0.695 1.00 0.00 C ATOM 1614 O GLU A 99 4.658 -2.010 -0.262 1.00 0.00 O ATOM 1615 CB GLU A 99 7.363 -3.180 1.511 1.00 0.00 C ATOM 1616 CG GLU A 99 8.239 -1.964 1.839 1.00 0.00 C ATOM 1617 CD GLU A 99 9.714 -2.356 1.861 1.00 0.00 C ATOM 1618 OE1 GLU A 99 10.433 -2.057 0.910 1.00 0.00 O ATOM 1619 OE2 GLU A 99 10.136 -3.033 2.966 1.00 0.00 O ATOM 0 H GLU A 99 5.241 -4.448 0.395 1.00 0.00 H new ATOM 0 HA GLU A 99 5.691 -2.531 2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.616 -3.998 2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.586 -3.521 0.500 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.076 -1.181 1.098 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.952 -1.552 2.807 1.00 0.00 H new ATOM 1627 N THR A 100 5.753 -0.513 1.014 1.00 0.00 N ATOM 1628 CA THR A 100 5.216 0.679 0.381 1.00 0.00 C ATOM 1629 C THR A 100 6.292 1.433 -0.403 1.00 0.00 C ATOM 1630 O THR A 100 7.430 1.531 0.053 1.00 0.00 O ATOM 1631 CB THR A 100 4.585 1.579 1.462 1.00 0.00 C ATOM 1632 OG1 THR A 100 5.546 2.414 2.075 1.00 0.00 O ATOM 1633 CG2 THR A 100 3.924 0.759 2.575 1.00 0.00 C ATOM 0 H THR A 100 6.445 -0.310 1.735 1.00 0.00 H new ATOM 0 HA THR A 100 4.452 0.384 -0.338 1.00 0.00 H new ATOM 0 HB THR A 100 3.838 2.178 0.941 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.110 2.971 2.753 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.492 1.432 3.315 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.138 0.135 2.150 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.671 0.125 3.053 1.00 0.00 H new ATOM 1641 N TYR A 101 5.907 2.024 -1.540 1.00 0.00 N ATOM 1642 CA TYR A 101 6.564 3.229 -2.038 1.00 0.00 C ATOM 1643 C TYR A 101 5.819 4.455 -1.499 1.00 0.00 C ATOM 1644 O TYR A 101 6.485 5.495 -1.315 1.00 0.00 O ATOM 1645 CB TYR A 101 6.584 3.272 -3.571 1.00 0.00 C ATOM 1646 CG TYR A 101 7.258 2.140 -4.327 1.00 0.00 C ATOM 1647 CD1 TYR A 101 8.277 1.360 -3.745 1.00 0.00 C ATOM 1648 CD2 TYR A 101 6.928 1.945 -5.682 1.00 0.00 C ATOM 1649 CE1 TYR A 101 8.959 0.399 -4.512 1.00 0.00 C ATOM 1650 CE2 TYR A 101 7.633 1.009 -6.456 1.00 0.00 C ATOM 1651 CZ TYR A 101 8.635 0.220 -5.867 1.00 0.00 C ATOM 1652 OH TYR A 101 9.289 -0.722 -6.605 1.00 0.00 O ATOM 1653 OXT TYR A 101 4.586 4.354 -1.305 1.00 0.00 O ATOM 0 H TYR A 101 5.146 1.685 -2.128 1.00 0.00 H new ATOM 0 HA TYR A 101 7.598 3.226 -1.694 1.00 0.00 H new ATOM 0 HB2 TYR A 101 5.551 3.328 -3.913 1.00 0.00 H new ATOM 0 HB3 TYR A 101 7.069 4.202 -3.869 1.00 0.00 H new ATOM 0 HD1 TYR A 101 8.535 1.501 -2.706 1.00 0.00 H new ATOM 0 HD2 TYR A 101 6.129 2.518 -6.128 1.00 0.00 H new ATOM 0 HE1 TYR A 101 9.733 -0.202 -4.059 1.00 0.00 H new ATOM 0 HE2 TYR A 101 7.405 0.896 -7.505 1.00 0.00 H new ATOM 0 HH TYR A 101 8.944 -0.717 -7.522 1.00 0.00 H new