USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 553 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 38 TYR OH : rot 180:sc= -1.83! USER MOD Set 1.2: A 58 GLN : amide:sc= -5.25! C(o=-7.1!,f=-1.2!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.392 X(o=-0.39,f=-0.18) USER MOD Single : A 40 SER OG : rot 173:sc= -1.19 USER MOD Single : A 46 SER OG : rot -101:sc= 0.809 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.456 X(o=-0.46,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 72 HIS : no HE2:sc= -0.18 K(o=-0.18,f=-1.1) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -160:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 9 6.761 -4.269 -7.025 1.00 0.00 N ATOM 82 CA VAL A 9 6.478 -2.901 -6.623 1.00 0.00 C ATOM 83 C VAL A 9 5.394 -2.321 -7.534 1.00 0.00 C ATOM 84 O VAL A 9 5.540 -2.319 -8.755 1.00 0.00 O ATOM 85 CB VAL A 9 7.767 -2.076 -6.628 1.00 0.00 C ATOM 86 CG1 VAL A 9 7.460 -0.580 -6.551 1.00 0.00 C ATOM 87 CG2 VAL A 9 8.695 -2.505 -5.490 1.00 0.00 C ATOM 0 HA VAL A 9 6.095 -2.874 -5.603 1.00 0.00 H new ATOM 0 HB VAL A 9 8.282 -2.264 -7.570 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.393 -0.016 -6.556 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.855 -0.288 -7.409 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.913 -0.368 -5.632 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.604 -1.904 -5.515 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.190 -2.360 -4.535 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.953 -3.557 -5.608 1.00 0.00 H new ATOM 97 N ARG A 10 4.330 -1.844 -6.904 1.00 0.00 N ATOM 98 CA ARG A 10 3.222 -1.262 -7.642 1.00 0.00 C ATOM 99 C ARG A 10 3.375 0.258 -7.720 1.00 0.00 C ATOM 100 O ARG A 10 4.163 0.844 -6.979 1.00 0.00 O ATOM 101 CB ARG A 10 1.883 -1.601 -6.983 1.00 0.00 C ATOM 102 CG ARG A 10 1.859 -1.141 -5.524 1.00 0.00 C ATOM 103 CD ARG A 10 1.619 -2.322 -4.581 1.00 0.00 C ATOM 104 NE ARG A 10 0.215 -2.320 -4.114 1.00 0.00 N ATOM 105 CZ ARG A 10 -0.776 -2.999 -4.708 1.00 0.00 C ATOM 106 NH1 ARG A 10 -0.522 -3.740 -5.795 1.00 0.00 N ATOM 107 NH2 ARG A 10 -2.020 -2.938 -4.214 1.00 0.00 N ATOM 0 H ARG A 10 4.212 -1.849 -5.891 1.00 0.00 H new ATOM 0 HA ARG A 10 3.236 -1.683 -8.647 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.072 -1.123 -7.532 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.711 -2.676 -7.032 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.804 -0.659 -5.275 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.075 -0.396 -5.387 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.839 -3.258 -5.094 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.295 -2.260 -3.728 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.013 -1.767 -3.288 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.425 -3.787 -6.170 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.276 -4.257 -6.247 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.213 -2.375 -3.386 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.774 -3.455 -4.666 1.00 0.00 H new ATOM 121 N LEU A 11 2.609 0.853 -8.622 1.00 0.00 N ATOM 122 CA LEU A 11 2.649 2.294 -8.806 1.00 0.00 C ATOM 123 C LEU A 11 1.257 2.875 -8.552 1.00 0.00 C ATOM 124 O LEU A 11 0.368 2.756 -9.394 1.00 0.00 O ATOM 125 CB LEU A 11 3.221 2.643 -10.182 1.00 0.00 C ATOM 126 CG LEU A 11 4.687 2.273 -10.412 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.137 2.668 -11.820 1.00 0.00 C ATOM 128 CD2 LEU A 11 5.583 2.883 -9.332 1.00 0.00 C ATOM 0 H LEU A 11 1.956 0.363 -9.234 1.00 0.00 H new ATOM 0 HA LEU A 11 3.322 2.752 -8.082 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.618 2.145 -10.941 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.109 3.716 -10.339 1.00 0.00 H new ATOM 0 HG LEU A 11 4.782 1.190 -10.335 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.183 2.394 -11.958 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.525 2.147 -12.557 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.024 3.744 -11.950 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.620 2.604 -9.519 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.490 3.969 -9.352 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.278 2.511 -8.354 1.00 0.00 H new ATOM 140 N VAL A 12 1.111 3.491 -7.389 1.00 0.00 N ATOM 141 CA VAL A 12 -0.158 4.092 -7.014 1.00 0.00 C ATOM 142 C VAL A 12 -0.146 5.575 -7.388 1.00 0.00 C ATOM 143 O VAL A 12 0.893 6.229 -7.312 1.00 0.00 O ATOM 144 CB VAL A 12 -0.432 3.852 -5.528 1.00 0.00 C ATOM 145 CG1 VAL A 12 -1.673 4.619 -5.068 1.00 0.00 C ATOM 146 CG2 VAL A 12 -0.569 2.357 -5.230 1.00 0.00 C ATOM 0 H VAL A 12 1.851 3.587 -6.693 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.977 3.626 -7.561 1.00 0.00 H new ATOM 0 HB VAL A 12 0.422 4.229 -4.965 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.845 4.431 -4.008 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.521 5.687 -5.227 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.539 4.287 -5.641 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.763 2.214 -4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.396 1.945 -5.809 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.354 1.846 -5.502 1.00 0.00 H new ATOM 156 N SER A 13 -1.313 6.063 -7.783 1.00 0.00 N ATOM 157 CA SER A 13 -1.449 7.457 -8.169 1.00 0.00 C ATOM 158 C SER A 13 -2.609 8.100 -7.405 1.00 0.00 C ATOM 159 O SER A 13 -3.710 7.554 -7.366 1.00 0.00 O ATOM 160 CB SER A 13 -1.667 7.592 -9.677 1.00 0.00 C ATOM 161 OG SER A 13 -1.553 8.944 -10.114 1.00 0.00 O ATOM 0 H SER A 13 -2.173 5.518 -7.844 1.00 0.00 H new ATOM 0 HA SER A 13 -0.524 7.974 -7.916 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.938 6.978 -10.205 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.654 7.209 -9.936 1.00 0.00 H new ATOM 0 HG SER A 13 -1.697 8.988 -11.082 1.00 0.00 H new ATOM 167 N LEU A 14 -2.321 9.252 -6.816 1.00 0.00 N ATOM 168 CA LEU A 14 -3.326 9.975 -6.056 1.00 0.00 C ATOM 169 C LEU A 14 -3.422 11.409 -6.581 1.00 0.00 C ATOM 170 O LEU A 14 -2.500 11.900 -7.229 1.00 0.00 O ATOM 171 CB LEU A 14 -3.030 9.887 -4.557 1.00 0.00 C ATOM 172 CG LEU A 14 -3.608 8.673 -3.829 1.00 0.00 C ATOM 173 CD1 LEU A 14 -5.093 8.494 -4.154 1.00 0.00 C ATOM 174 CD2 LEU A 14 -2.799 7.411 -4.137 1.00 0.00 C ATOM 0 H LEU A 14 -1.406 9.702 -6.850 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.307 9.519 -6.191 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.949 9.887 -4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.412 10.789 -4.078 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.531 8.851 -2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.479 7.624 -3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.643 9.382 -3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.216 8.349 -5.227 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.232 6.563 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.821 7.218 -5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.767 7.552 -3.815 1.00 0.00 H new ATOM 315 N LEU A 23 -3.959 12.957 -0.759 1.00 0.00 N ATOM 316 CA LEU A 23 -3.858 11.723 -1.519 1.00 0.00 C ATOM 317 C LEU A 23 -5.000 10.787 -1.118 1.00 0.00 C ATOM 318 O LEU A 23 -5.582 10.113 -1.966 1.00 0.00 O ATOM 319 CB LEU A 23 -2.468 11.104 -1.354 1.00 0.00 C ATOM 320 CG LEU A 23 -1.315 12.089 -1.151 1.00 0.00 C ATOM 321 CD1 LEU A 23 0.036 11.377 -1.242 1.00 0.00 C ATOM 322 CD2 LEU A 23 -1.414 13.258 -2.132 1.00 0.00 C ATOM 0 HA LEU A 23 -3.968 11.922 -2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.493 10.425 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.253 10.501 -2.236 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.393 12.505 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.839 12.099 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.094 10.607 -0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.139 10.916 -2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.583 13.943 -1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.375 12.880 -3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.355 13.785 -1.976 1.00 0.00 H new ATOM 334 N GLY A 24 -5.286 10.776 0.176 1.00 0.00 N ATOM 335 CA GLY A 24 -6.348 9.934 0.700 1.00 0.00 C ATOM 336 C GLY A 24 -5.787 8.863 1.637 1.00 0.00 C ATOM 337 O GLY A 24 -6.538 8.059 2.187 1.00 0.00 O ATOM 0 H GLY A 24 -4.801 11.337 0.877 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.072 10.547 1.236 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.880 9.459 -0.124 1.00 0.00 H new ATOM 341 N PHE A 25 -4.471 8.888 1.791 1.00 0.00 N ATOM 342 CA PHE A 25 -3.800 7.929 2.653 1.00 0.00 C ATOM 343 C PHE A 25 -2.691 8.603 3.464 1.00 0.00 C ATOM 344 O PHE A 25 -1.899 9.370 2.920 1.00 0.00 O ATOM 345 CB PHE A 25 -3.178 6.869 1.743 1.00 0.00 C ATOM 346 CG PHE A 25 -1.933 7.346 0.993 1.00 0.00 C ATOM 347 CD1 PHE A 25 -2.062 8.016 -0.183 1.00 0.00 C ATOM 348 CD2 PHE A 25 -0.696 7.099 1.502 1.00 0.00 C ATOM 349 CE1 PHE A 25 -0.907 8.459 -0.880 1.00 0.00 C ATOM 350 CE2 PHE A 25 0.460 7.542 0.806 1.00 0.00 C ATOM 351 CZ PHE A 25 0.330 8.212 -0.370 1.00 0.00 C ATOM 0 H PHE A 25 -3.852 9.557 1.334 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.513 7.496 3.354 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.916 5.998 2.343 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.924 6.544 1.018 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.044 8.211 -0.587 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.593 6.566 2.436 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.010 8.991 -1.814 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.442 7.347 1.211 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.209 8.548 -0.900 1.00 0.00 H new ATOM 361 N SER A 26 -2.671 8.291 4.752 1.00 0.00 N ATOM 362 CA SER A 26 -1.673 8.857 5.643 1.00 0.00 C ATOM 363 C SER A 26 -0.443 7.948 5.695 1.00 0.00 C ATOM 364 O SER A 26 -0.565 6.727 5.613 1.00 0.00 O ATOM 365 CB SER A 26 -2.241 9.061 7.048 1.00 0.00 C ATOM 366 OG SER A 26 -2.450 10.440 7.344 1.00 0.00 O ATOM 0 H SER A 26 -3.330 7.654 5.199 1.00 0.00 H new ATOM 0 HA SER A 26 -1.381 9.832 5.254 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.185 8.523 7.139 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.558 8.632 7.781 1.00 0.00 H new ATOM 0 HG SER A 26 -2.815 10.529 8.249 1.00 0.00 H new ATOM 372 N ILE A 27 0.714 8.579 5.831 1.00 0.00 N ATOM 373 CA ILE A 27 1.965 7.842 5.895 1.00 0.00 C ATOM 374 C ILE A 27 2.585 8.018 7.283 1.00 0.00 C ATOM 375 O ILE A 27 2.232 8.944 8.011 1.00 0.00 O ATOM 376 CB ILE A 27 2.891 8.258 4.751 1.00 0.00 C ATOM 377 CG1 ILE A 27 3.324 9.718 4.899 1.00 0.00 C ATOM 378 CG2 ILE A 27 2.240 7.988 3.393 1.00 0.00 C ATOM 379 CD1 ILE A 27 4.819 9.878 4.615 1.00 0.00 C ATOM 0 H ILE A 27 0.812 9.592 5.899 1.00 0.00 H new ATOM 0 HA ILE A 27 1.786 6.776 5.758 1.00 0.00 H new ATOM 0 HB ILE A 27 3.793 7.648 4.803 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.751 10.342 4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.103 10.066 5.908 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.919 8.293 2.597 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.024 6.924 3.298 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.312 8.555 3.315 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.101 10.925 4.727 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.390 9.271 5.318 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.033 9.552 3.597 1.00 0.00 H new ATOM 391 N ARG A 28 3.498 7.115 7.607 1.00 0.00 N ATOM 392 CA ARG A 28 4.171 7.159 8.894 1.00 0.00 C ATOM 393 C ARG A 28 5.629 6.718 8.747 1.00 0.00 C ATOM 394 O ARG A 28 6.033 6.241 7.687 1.00 0.00 O ATOM 395 CB ARG A 28 3.472 6.255 9.912 1.00 0.00 C ATOM 396 CG ARG A 28 3.481 4.797 9.447 1.00 0.00 C ATOM 397 CD ARG A 28 3.549 3.842 10.640 1.00 0.00 C ATOM 398 NE ARG A 28 4.054 2.521 10.203 1.00 0.00 N ATOM 399 CZ ARG A 28 4.356 1.518 11.038 1.00 0.00 C ATOM 400 NH1 ARG A 28 4.206 1.678 12.360 1.00 0.00 N ATOM 401 NH2 ARG A 28 4.808 0.354 10.552 1.00 0.00 N ATOM 0 H ARG A 28 3.788 6.348 7.000 1.00 0.00 H new ATOM 0 HA ARG A 28 4.134 8.188 9.252 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.970 6.336 10.878 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.444 6.589 10.055 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.584 4.592 8.863 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.334 4.626 8.791 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.202 4.254 11.409 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.560 3.733 11.086 1.00 0.00 H new ATOM 0 HE ARG A 28 4.180 2.365 9.203 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.862 2.564 12.731 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.436 0.914 12.996 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.922 0.231 9.546 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.038 -0.409 11.188 1.00 0.00 H new ATOM 415 N GLY A 29 6.378 6.892 9.825 1.00 0.00 N ATOM 416 CA GLY A 29 7.782 6.518 9.830 1.00 0.00 C ATOM 417 C GLY A 29 8.678 7.754 9.929 1.00 0.00 C ATOM 418 O GLY A 29 8.264 8.785 10.457 1.00 0.00 O ATOM 0 H GLY A 29 6.039 7.287 10.702 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.982 5.852 10.669 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.018 5.965 8.921 1.00 0.00 H new ATOM 422 N GLY A 30 9.891 7.610 9.414 1.00 0.00 N ATOM 423 CA GLY A 30 10.849 8.702 9.438 1.00 0.00 C ATOM 424 C GLY A 30 12.238 8.203 9.844 1.00 0.00 C ATOM 425 O GLY A 30 12.367 7.387 10.755 1.00 0.00 O ATOM 0 H GLY A 30 10.232 6.753 8.978 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.899 9.168 8.454 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.515 9.468 10.137 1.00 0.00 H new ATOM 429 N SER A 31 13.242 8.715 9.147 1.00 0.00 N ATOM 430 CA SER A 31 14.616 8.332 9.423 1.00 0.00 C ATOM 431 C SER A 31 14.968 8.657 10.876 1.00 0.00 C ATOM 432 O SER A 31 15.739 7.936 11.508 1.00 0.00 O ATOM 433 CB SER A 31 15.585 9.037 8.472 1.00 0.00 C ATOM 434 OG SER A 31 16.945 8.825 8.842 1.00 0.00 O ATOM 0 H SER A 31 13.131 9.392 8.392 1.00 0.00 H new ATOM 0 HA SER A 31 14.710 7.258 9.265 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.425 8.674 7.457 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.373 10.106 8.466 1.00 0.00 H new ATOM 0 HG SER A 31 17.532 9.290 8.210 1.00 0.00 H new ATOM 440 N GLU A 32 14.386 9.742 11.364 1.00 0.00 N ATOM 441 CA GLU A 32 14.628 10.171 12.731 1.00 0.00 C ATOM 442 C GLU A 32 14.301 9.040 13.708 1.00 0.00 C ATOM 443 O GLU A 32 14.975 8.879 14.724 1.00 0.00 O ATOM 444 CB GLU A 32 13.824 11.431 13.061 1.00 0.00 C ATOM 445 CG GLU A 32 14.161 11.944 14.463 1.00 0.00 C ATOM 446 CD GLU A 32 14.095 13.472 14.518 1.00 0.00 C ATOM 447 OE1 GLU A 32 12.988 13.982 14.795 1.00 0.00 O ATOM 448 OE2 GLU A 32 15.153 14.094 14.282 1.00 0.00 O ATOM 0 H GLU A 32 13.747 10.337 10.837 1.00 0.00 H new ATOM 0 HA GLU A 32 15.685 10.418 12.832 1.00 0.00 H new ATOM 0 HB2 GLU A 32 14.037 12.206 12.325 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.758 11.214 12.996 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.465 11.520 15.186 1.00 0.00 H new ATOM 0 HG3 GLU A 32 15.159 11.609 14.747 1.00 0.00 H new ATOM 455 N HIS A 33 13.267 8.286 13.366 1.00 0.00 N ATOM 456 CA HIS A 33 12.842 7.175 14.200 1.00 0.00 C ATOM 457 C HIS A 33 13.729 5.959 13.925 1.00 0.00 C ATOM 458 O HIS A 33 13.903 5.104 14.793 1.00 0.00 O ATOM 459 CB HIS A 33 11.355 6.881 13.999 1.00 0.00 C ATOM 460 CG HIS A 33 10.454 7.552 15.008 1.00 0.00 C ATOM 461 ND1 HIS A 33 9.108 7.780 14.777 1.00 0.00 N ATOM 462 CD2 HIS A 33 10.719 8.040 16.254 1.00 0.00 C ATOM 463 CE1 HIS A 33 8.597 8.380 15.842 1.00 0.00 C ATOM 464 NE2 HIS A 33 9.597 8.541 16.756 1.00 0.00 N ATOM 0 H HIS A 33 12.711 8.423 12.522 1.00 0.00 H new ATOM 0 HA HIS A 33 12.961 7.439 15.251 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.064 7.201 12.998 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.198 5.803 14.048 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.679 8.022 16.748 1.00 0.00 H new ATOM 0 HE1 HIS A 33 7.569 8.688 15.965 1.00 0.00 H new ATOM 0 HE2 HIS A 33 9.499 8.975 17.674 1.00 0.00 H new ATOM 472 N GLY A 34 14.267 5.920 12.715 1.00 0.00 N ATOM 473 CA GLY A 34 15.131 4.823 12.315 1.00 0.00 C ATOM 474 C GLY A 34 14.463 3.962 11.241 1.00 0.00 C ATOM 475 O GLY A 34 15.094 3.072 10.672 1.00 0.00 O ATOM 0 H GLY A 34 14.121 6.631 11.998 1.00 0.00 H new ATOM 0 HA2 GLY A 34 16.074 5.218 11.935 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.369 4.208 13.183 1.00 0.00 H new ATOM 479 N VAL A 35 13.195 4.257 10.995 1.00 0.00 N ATOM 480 CA VAL A 35 12.435 3.521 10.000 1.00 0.00 C ATOM 481 C VAL A 35 12.250 4.395 8.757 1.00 0.00 C ATOM 482 O VAL A 35 12.599 5.574 8.766 1.00 0.00 O ATOM 483 CB VAL A 35 11.109 3.046 10.599 1.00 0.00 C ATOM 484 CG1 VAL A 35 11.273 2.690 12.078 1.00 0.00 C ATOM 485 CG2 VAL A 35 10.013 4.096 10.406 1.00 0.00 C ATOM 0 H VAL A 35 12.675 4.996 11.468 1.00 0.00 H new ATOM 0 HA VAL A 35 12.976 2.626 9.692 1.00 0.00 H new ATOM 0 HB VAL A 35 10.805 2.144 10.068 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.317 2.355 12.480 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.009 1.892 12.181 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.611 3.568 12.628 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.081 3.734 10.841 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.307 5.023 10.898 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.869 4.280 9.341 1.00 0.00 H new ATOM 495 N GLY A 36 11.702 3.782 7.718 1.00 0.00 N ATOM 496 CA GLY A 36 11.466 4.489 6.471 1.00 0.00 C ATOM 497 C GLY A 36 10.068 5.110 6.448 1.00 0.00 C ATOM 498 O GLY A 36 9.716 5.889 7.333 1.00 0.00 O ATOM 0 H GLY A 36 11.415 2.803 7.714 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.216 5.269 6.344 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.576 3.801 5.633 1.00 0.00 H new ATOM 502 N ILE A 37 9.309 4.742 5.427 1.00 0.00 N ATOM 503 CA ILE A 37 7.957 5.253 5.277 1.00 0.00 C ATOM 504 C ILE A 37 7.002 4.088 5.011 1.00 0.00 C ATOM 505 O ILE A 37 7.372 3.114 4.357 1.00 0.00 O ATOM 506 CB ILE A 37 7.912 6.342 4.203 1.00 0.00 C ATOM 507 CG1 ILE A 37 9.078 7.320 4.364 1.00 0.00 C ATOM 508 CG2 ILE A 37 6.560 7.058 4.204 1.00 0.00 C ATOM 509 CD1 ILE A 37 8.877 8.217 5.587 1.00 0.00 C ATOM 0 H ILE A 37 9.604 4.096 4.695 1.00 0.00 H new ATOM 0 HA ILE A 37 7.627 5.732 6.199 1.00 0.00 H new ATOM 0 HB ILE A 37 8.023 5.865 3.229 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.011 6.766 4.465 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.168 7.935 3.468 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.555 7.827 3.431 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.767 6.338 4.004 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.394 7.520 5.177 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.720 8.902 5.678 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.956 8.788 5.472 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.812 7.601 6.484 1.00 0.00 H new ATOM 521 N TYR A 38 5.792 4.226 5.532 1.00 0.00 N ATOM 522 CA TYR A 38 4.781 3.196 5.360 1.00 0.00 C ATOM 523 C TYR A 38 3.377 3.763 5.583 1.00 0.00 C ATOM 524 O TYR A 38 3.200 4.706 6.353 1.00 0.00 O ATOM 525 CB TYR A 38 5.068 2.140 6.429 1.00 0.00 C ATOM 526 CG TYR A 38 6.479 1.552 6.360 1.00 0.00 C ATOM 527 CD1 TYR A 38 6.728 0.447 5.572 1.00 0.00 C ATOM 528 CD2 TYR A 38 7.502 2.127 7.087 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.056 -0.106 5.507 1.00 0.00 C ATOM 530 CE2 TYR A 38 8.830 1.574 7.022 1.00 0.00 C ATOM 531 CZ TYR A 38 9.041 0.485 6.236 1.00 0.00 C ATOM 532 OH TYR A 38 10.296 -0.038 6.175 1.00 0.00 O ATOM 0 H TYR A 38 5.489 5.035 6.074 1.00 0.00 H new ATOM 0 HA TYR A 38 4.817 2.788 4.350 1.00 0.00 H new ATOM 0 HB2 TYR A 38 4.918 2.584 7.413 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.343 1.332 6.330 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.927 -0.003 5.004 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.306 2.991 7.704 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.265 -0.970 4.894 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.640 2.014 7.585 1.00 0.00 H new ATOM 0 HH TYR A 38 10.897 0.486 6.745 1.00 0.00 H new ATOM 542 N VAL A 39 2.416 3.163 4.897 1.00 0.00 N ATOM 543 CA VAL A 39 1.033 3.597 5.011 1.00 0.00 C ATOM 544 C VAL A 39 0.572 3.440 6.461 1.00 0.00 C ATOM 545 O VAL A 39 0.855 2.427 7.100 1.00 0.00 O ATOM 546 CB VAL A 39 0.160 2.826 4.019 1.00 0.00 C ATOM 547 CG1 VAL A 39 -1.295 3.292 4.092 1.00 0.00 C ATOM 548 CG2 VAL A 39 0.706 2.951 2.595 1.00 0.00 C ATOM 0 H VAL A 39 2.567 2.380 4.260 1.00 0.00 H new ATOM 0 HA VAL A 39 0.941 4.652 4.753 1.00 0.00 H new ATOM 0 HB VAL A 39 0.188 1.772 4.296 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.894 2.728 3.377 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.680 3.126 5.098 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.349 4.354 3.853 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.067 2.394 1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.723 4.001 2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.718 2.547 2.557 1.00 0.00 H new ATOM 558 N SER A 40 -0.130 4.457 6.939 1.00 0.00 N ATOM 559 CA SER A 40 -0.633 4.445 8.302 1.00 0.00 C ATOM 560 C SER A 40 -2.158 4.328 8.296 1.00 0.00 C ATOM 561 O SER A 40 -2.738 3.683 9.167 1.00 0.00 O ATOM 562 CB SER A 40 -0.199 5.701 9.060 1.00 0.00 C ATOM 563 OG SER A 40 -1.115 6.778 8.877 1.00 0.00 O ATOM 0 H SER A 40 -0.362 5.295 6.406 1.00 0.00 H new ATOM 0 HA SER A 40 -0.211 3.581 8.815 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.115 5.473 10.123 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.791 6.005 8.721 1.00 0.00 H new ATOM 0 HG SER A 40 -0.866 7.522 9.464 1.00 0.00 H new ATOM 569 N LEU A 41 -2.764 4.963 7.303 1.00 0.00 N ATOM 570 CA LEU A 41 -4.211 4.938 7.171 1.00 0.00 C ATOM 571 C LEU A 41 -4.586 5.021 5.690 1.00 0.00 C ATOM 572 O LEU A 41 -3.878 5.644 4.901 1.00 0.00 O ATOM 573 CB LEU A 41 -4.845 6.035 8.029 1.00 0.00 C ATOM 574 CG LEU A 41 -6.328 6.314 7.773 1.00 0.00 C ATOM 575 CD1 LEU A 41 -6.534 6.977 6.410 1.00 0.00 C ATOM 576 CD2 LEU A 41 -7.159 5.037 7.920 1.00 0.00 C ATOM 0 H LEU A 41 -2.279 5.498 6.582 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.612 3.997 7.549 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.722 5.765 9.078 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.289 6.959 7.871 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.679 7.016 8.529 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.596 7.164 6.253 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.991 7.921 6.379 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.162 6.318 5.625 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.209 5.263 7.733 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.814 4.294 7.201 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.047 4.644 8.930 1.00 0.00 H new ATOM 588 N VAL A 42 -5.699 4.384 5.358 1.00 0.00 N ATOM 589 CA VAL A 42 -6.177 4.378 3.986 1.00 0.00 C ATOM 590 C VAL A 42 -7.688 4.616 3.975 1.00 0.00 C ATOM 591 O VAL A 42 -8.441 3.873 4.604 1.00 0.00 O ATOM 592 CB VAL A 42 -5.772 3.073 3.297 1.00 0.00 C ATOM 593 CG1 VAL A 42 -6.525 2.894 1.977 1.00 0.00 C ATOM 594 CG2 VAL A 42 -4.259 3.015 3.077 1.00 0.00 C ATOM 0 H VAL A 42 -6.284 3.868 6.016 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.717 5.187 3.418 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.046 2.248 3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.219 1.959 1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.597 2.869 2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.296 3.726 1.312 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.998 2.077 2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.950 3.851 2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.749 3.075 4.038 1.00 0.00 H new ATOM 604 N GLU A 43 -8.087 5.654 3.255 1.00 0.00 N ATOM 605 CA GLU A 43 -9.495 5.999 3.155 1.00 0.00 C ATOM 606 C GLU A 43 -10.252 4.918 2.381 1.00 0.00 C ATOM 607 O GLU A 43 -9.738 4.371 1.406 1.00 0.00 O ATOM 608 CB GLU A 43 -9.678 7.370 2.502 1.00 0.00 C ATOM 609 CG GLU A 43 -9.291 8.493 3.467 1.00 0.00 C ATOM 610 CD GLU A 43 -10.424 9.512 3.606 1.00 0.00 C ATOM 611 OE1 GLU A 43 -11.578 9.059 3.763 1.00 0.00 O ATOM 612 OE2 GLU A 43 -10.109 10.721 3.551 1.00 0.00 O ATOM 0 H GLU A 43 -7.460 6.268 2.735 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.908 6.055 4.162 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.067 7.432 1.602 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.716 7.494 2.192 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.054 8.072 4.444 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.391 8.992 3.108 1.00 0.00 H new ATOM 619 N PRO A 44 -11.494 4.634 2.856 1.00 0.00 N ATOM 620 CA PRO A 44 -12.328 3.629 2.220 1.00 0.00 C ATOM 621 C PRO A 44 -12.912 4.152 0.906 1.00 0.00 C ATOM 622 O PRO A 44 -12.991 5.361 0.696 1.00 0.00 O ATOM 623 CB PRO A 44 -13.392 3.290 3.250 1.00 0.00 C ATOM 624 CG PRO A 44 -13.396 4.444 4.240 1.00 0.00 C ATOM 625 CD PRO A 44 -12.136 5.261 4.008 1.00 0.00 C ATOM 0 HA PRO A 44 -11.769 2.737 1.937 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.369 3.175 2.780 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.166 2.348 3.749 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.283 5.062 4.102 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.425 4.069 5.263 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.373 6.306 3.809 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.486 5.243 4.882 1.00 0.00 H new ATOM 633 N GLY A 45 -13.307 3.215 0.056 1.00 0.00 N ATOM 634 CA GLY A 45 -13.882 3.567 -1.231 1.00 0.00 C ATOM 635 C GLY A 45 -13.185 4.792 -1.826 1.00 0.00 C ATOM 636 O GLY A 45 -13.815 5.597 -2.510 1.00 0.00 O ATOM 0 H GLY A 45 -13.240 2.213 0.234 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -13.792 2.724 -1.916 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -14.946 3.771 -1.114 1.00 0.00 H new ATOM 640 N SER A 46 -11.895 4.895 -1.544 1.00 0.00 N ATOM 641 CA SER A 46 -11.106 6.009 -2.043 1.00 0.00 C ATOM 642 C SER A 46 -10.236 5.551 -3.214 1.00 0.00 C ATOM 643 O SER A 46 -10.173 4.360 -3.517 1.00 0.00 O ATOM 644 CB SER A 46 -10.235 6.606 -0.936 1.00 0.00 C ATOM 645 OG SER A 46 -8.979 5.942 -0.828 1.00 0.00 O ATOM 0 H SER A 46 -11.376 4.225 -0.976 1.00 0.00 H new ATOM 0 HA SER A 46 -11.789 6.785 -2.389 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.069 7.665 -1.136 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.763 6.540 0.015 1.00 0.00 H new ATOM 0 HG SER A 46 -9.005 5.312 -0.078 1.00 0.00 H new ATOM 651 N LEU A 47 -9.586 6.520 -3.842 1.00 0.00 N ATOM 652 CA LEU A 47 -8.721 6.230 -4.974 1.00 0.00 C ATOM 653 C LEU A 47 -7.510 5.430 -4.493 1.00 0.00 C ATOM 654 O LEU A 47 -7.204 4.371 -5.039 1.00 0.00 O ATOM 655 CB LEU A 47 -8.353 7.520 -5.710 1.00 0.00 C ATOM 656 CG LEU A 47 -7.411 7.364 -6.905 1.00 0.00 C ATOM 657 CD1 LEU A 47 -7.707 6.074 -7.673 1.00 0.00 C ATOM 658 CD2 LEU A 47 -7.467 8.595 -7.812 1.00 0.00 C ATOM 0 H LEU A 47 -9.641 7.507 -3.589 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.243 5.611 -5.704 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.272 7.992 -6.056 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.893 8.203 -4.996 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.391 7.287 -6.527 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.023 5.988 -8.517 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.576 5.218 -7.011 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.734 6.096 -8.039 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.788 8.458 -8.654 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.483 8.727 -8.183 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.170 9.478 -7.246 1.00 0.00 H new ATOM 670 N ALA A 48 -6.852 5.966 -3.475 1.00 0.00 N ATOM 671 CA ALA A 48 -5.680 5.315 -2.915 1.00 0.00 C ATOM 672 C ALA A 48 -5.945 3.812 -2.796 1.00 0.00 C ATOM 673 O ALA A 48 -5.225 3.004 -3.381 1.00 0.00 O ATOM 674 CB ALA A 48 -5.336 5.954 -1.568 1.00 0.00 C ATOM 0 H ALA A 48 -7.109 6.844 -3.024 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.818 5.448 -3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.457 5.466 -1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.129 7.015 -1.711 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.177 5.838 -0.885 1.00 0.00 H new ATOM 680 N GLU A 49 -6.979 3.484 -2.036 1.00 0.00 N ATOM 681 CA GLU A 49 -7.348 2.093 -1.834 1.00 0.00 C ATOM 682 C GLU A 49 -7.633 1.419 -3.177 1.00 0.00 C ATOM 683 O GLU A 49 -7.256 0.268 -3.390 1.00 0.00 O ATOM 684 CB GLU A 49 -8.550 1.976 -0.895 1.00 0.00 C ATOM 685 CG GLU A 49 -9.144 0.567 -0.939 1.00 0.00 C ATOM 686 CD GLU A 49 -10.061 0.395 -2.151 1.00 0.00 C ATOM 687 OE1 GLU A 49 -10.888 1.307 -2.370 1.00 0.00 O ATOM 688 OE2 GLU A 49 -9.915 -0.643 -2.832 1.00 0.00 O ATOM 0 H GLU A 49 -7.573 4.157 -1.552 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.510 1.579 -1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.245 2.214 0.124 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.310 2.704 -1.179 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.341 -0.169 -0.979 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.705 0.377 -0.024 1.00 0.00 H new ATOM 695 N LYS A 50 -8.297 2.165 -4.049 1.00 0.00 N ATOM 696 CA LYS A 50 -8.637 1.653 -5.365 1.00 0.00 C ATOM 697 C LYS A 50 -7.351 1.354 -6.139 1.00 0.00 C ATOM 698 O LYS A 50 -7.296 0.399 -6.912 1.00 0.00 O ATOM 699 CB LYS A 50 -9.579 2.618 -6.088 1.00 0.00 C ATOM 700 CG LYS A 50 -11.005 2.502 -5.545 1.00 0.00 C ATOM 701 CD LYS A 50 -11.848 3.712 -5.953 1.00 0.00 C ATOM 702 CE LYS A 50 -12.636 3.424 -7.232 1.00 0.00 C ATOM 703 NZ LYS A 50 -11.980 4.056 -8.398 1.00 0.00 N ATOM 0 H LYS A 50 -8.608 3.120 -3.869 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.184 0.714 -5.279 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.222 3.641 -5.966 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.574 2.404 -7.157 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.468 1.589 -5.920 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.979 2.423 -4.458 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.536 3.969 -5.148 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.201 4.576 -6.107 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.708 2.348 -7.387 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.654 3.801 -7.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.528 3.851 -9.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.933 5.085 -8.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.017 3.677 -8.502 1.00 0.00 H new ATOM 717 N GLU A 51 -6.350 2.190 -5.905 1.00 0.00 N ATOM 718 CA GLU A 51 -5.069 2.027 -6.571 1.00 0.00 C ATOM 719 C GLU A 51 -4.372 0.757 -6.078 1.00 0.00 C ATOM 720 O GLU A 51 -3.540 0.187 -6.783 1.00 0.00 O ATOM 721 CB GLU A 51 -4.182 3.255 -6.361 1.00 0.00 C ATOM 722 CG GLU A 51 -4.708 4.454 -7.154 1.00 0.00 C ATOM 723 CD GLU A 51 -4.897 4.095 -8.629 1.00 0.00 C ATOM 724 OE1 GLU A 51 -3.893 4.186 -9.368 1.00 0.00 O ATOM 725 OE2 GLU A 51 -6.041 3.739 -8.984 1.00 0.00 O ATOM 0 H GLU A 51 -6.400 2.982 -5.264 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.248 1.928 -7.642 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.145 3.504 -5.300 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.162 3.029 -6.671 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.657 4.786 -6.732 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.011 5.287 -7.065 1.00 0.00 H new ATOM 732 N GLY A 52 -4.737 0.351 -4.871 1.00 0.00 N ATOM 733 CA GLY A 52 -4.158 -0.841 -4.275 1.00 0.00 C ATOM 734 C GLY A 52 -3.561 -0.533 -2.900 1.00 0.00 C ATOM 735 O GLY A 52 -3.316 -1.441 -2.108 1.00 0.00 O ATOM 0 H GLY A 52 -5.427 0.826 -4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.923 -1.612 -4.179 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.384 -1.240 -4.930 1.00 0.00 H new ATOM 739 N LEU A 53 -3.345 0.752 -2.659 1.00 0.00 N ATOM 740 CA LEU A 53 -2.782 1.192 -1.394 1.00 0.00 C ATOM 741 C LEU A 53 -3.499 0.478 -0.246 1.00 0.00 C ATOM 742 O LEU A 53 -4.615 -0.010 -0.414 1.00 0.00 O ATOM 743 CB LEU A 53 -2.825 2.718 -1.290 1.00 0.00 C ATOM 744 CG LEU A 53 -1.519 3.398 -0.873 1.00 0.00 C ATOM 745 CD1 LEU A 53 -0.542 3.477 -2.048 1.00 0.00 C ATOM 746 CD2 LEU A 53 -1.789 4.773 -0.259 1.00 0.00 C ATOM 0 H LEU A 53 -3.550 1.503 -3.319 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.728 0.920 -1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.128 3.120 -2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.599 2.992 -0.573 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.047 2.788 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.378 3.965 -1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.315 2.471 -2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.992 4.052 -2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.845 5.235 0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.294 5.405 -0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.421 4.660 0.622 1.00 0.00 H new ATOM 758 N ARG A 54 -2.827 0.438 0.895 1.00 0.00 N ATOM 759 CA ARG A 54 -3.385 -0.209 2.070 1.00 0.00 C ATOM 760 C ARG A 54 -2.381 -0.171 3.224 1.00 0.00 C ATOM 761 O ARG A 54 -1.206 -0.484 3.040 1.00 0.00 O ATOM 762 CB ARG A 54 -3.757 -1.663 1.774 1.00 0.00 C ATOM 763 CG ARG A 54 -5.267 -1.877 1.892 1.00 0.00 C ATOM 764 CD ARG A 54 -5.656 -2.273 3.318 1.00 0.00 C ATOM 765 NE ARG A 54 -5.189 -3.647 3.607 1.00 0.00 N ATOM 766 CZ ARG A 54 -4.965 -4.120 4.840 1.00 0.00 C ATOM 767 NH1 ARG A 54 -5.163 -3.333 5.906 1.00 0.00 N ATOM 768 NH2 ARG A 54 -4.543 -5.381 5.008 1.00 0.00 N ATOM 0 H ARG A 54 -1.901 0.843 1.031 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.287 0.335 2.351 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.426 -1.930 0.771 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.237 -2.324 2.468 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.790 -0.964 1.609 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.583 -2.654 1.196 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.218 -1.574 4.031 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.738 -2.215 3.438 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.028 -4.273 2.818 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.484 -2.373 5.779 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.992 -3.693 6.845 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.392 -5.981 4.197 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.372 -5.741 5.947 1.00 0.00 H new ATOM 782 N VAL A 55 -2.881 0.216 4.389 1.00 0.00 N ATOM 783 CA VAL A 55 -2.042 0.298 5.573 1.00 0.00 C ATOM 784 C VAL A 55 -1.172 -0.957 5.665 1.00 0.00 C ATOM 785 O VAL A 55 -1.688 -2.066 5.795 1.00 0.00 O ATOM 786 CB VAL A 55 -2.909 0.517 6.814 1.00 0.00 C ATOM 787 CG1 VAL A 55 -2.070 0.437 8.091 1.00 0.00 C ATOM 788 CG2 VAL A 55 -3.658 1.849 6.732 1.00 0.00 C ATOM 0 H VAL A 55 -3.856 0.476 4.538 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.371 1.154 5.507 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.650 -0.282 6.850 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.711 0.596 8.958 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.605 -0.546 8.160 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.296 1.204 8.066 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.267 1.980 7.627 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.940 2.666 6.659 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.301 1.851 5.852 1.00 0.00 H new ATOM 798 N GLY A 56 0.133 -0.740 5.594 1.00 0.00 N ATOM 799 CA GLY A 56 1.080 -1.840 5.668 1.00 0.00 C ATOM 800 C GLY A 56 2.135 -1.730 4.566 1.00 0.00 C ATOM 801 O GLY A 56 3.283 -2.127 4.759 1.00 0.00 O ATOM 0 H GLY A 56 0.557 0.181 5.486 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.567 -1.841 6.643 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.550 -2.788 5.576 1.00 0.00 H new ATOM 805 N ASP A 57 1.709 -1.188 3.434 1.00 0.00 N ATOM 806 CA ASP A 57 2.603 -1.021 2.301 1.00 0.00 C ATOM 807 C ASP A 57 3.848 -0.251 2.749 1.00 0.00 C ATOM 808 O ASP A 57 3.996 0.065 3.928 1.00 0.00 O ATOM 809 CB ASP A 57 1.931 -0.223 1.182 1.00 0.00 C ATOM 810 CG ASP A 57 1.532 -1.042 -0.047 1.00 0.00 C ATOM 811 OD1 ASP A 57 2.196 -2.075 -0.280 1.00 0.00 O ATOM 812 OD2 ASP A 57 0.572 -0.617 -0.725 1.00 0.00 O ATOM 0 H ASP A 57 0.756 -0.859 3.278 1.00 0.00 H new ATOM 0 HA ASP A 57 2.866 -2.012 1.930 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.039 0.258 1.584 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.607 0.572 0.866 1.00 0.00 H new ATOM 817 N GLN A 58 4.711 0.028 1.783 1.00 0.00 N ATOM 818 CA GLN A 58 5.937 0.755 2.063 1.00 0.00 C ATOM 819 C GLN A 58 6.261 1.712 0.914 1.00 0.00 C ATOM 820 O GLN A 58 6.562 1.276 -0.196 1.00 0.00 O ATOM 821 CB GLN A 58 7.099 -0.208 2.317 1.00 0.00 C ATOM 822 CG GLN A 58 8.396 0.557 2.587 1.00 0.00 C ATOM 823 CD GLN A 58 9.537 -0.403 2.931 1.00 0.00 C ATOM 824 OE1 GLN A 58 9.549 -1.559 2.542 1.00 0.00 O ATOM 825 NE2 GLN A 58 10.493 0.139 3.680 1.00 0.00 N ATOM 0 H GLN A 58 4.585 -0.236 0.806 1.00 0.00 H new ATOM 0 HA GLN A 58 5.789 1.342 2.969 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.866 -0.848 3.168 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.230 -0.861 1.454 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.664 1.147 1.710 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.245 1.257 3.408 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.421 1.114 3.972 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.298 -0.420 3.963 1.00 0.00 H new ATOM 834 N ILE A 59 6.188 2.999 1.220 1.00 0.00 N ATOM 835 CA ILE A 59 6.469 4.022 0.228 1.00 0.00 C ATOM 836 C ILE A 59 7.963 4.010 -0.102 1.00 0.00 C ATOM 837 O ILE A 59 8.757 4.661 0.576 1.00 0.00 O ATOM 838 CB ILE A 59 5.955 5.383 0.700 1.00 0.00 C ATOM 839 CG1 ILE A 59 4.487 5.298 1.123 1.00 0.00 C ATOM 840 CG2 ILE A 59 6.183 6.456 -0.367 1.00 0.00 C ATOM 841 CD1 ILE A 59 3.575 5.121 -0.093 1.00 0.00 C ATOM 0 H ILE A 59 5.938 3.357 2.142 1.00 0.00 H new ATOM 0 HA ILE A 59 5.935 3.810 -0.698 1.00 0.00 H new ATOM 0 HB ILE A 59 6.527 5.678 1.580 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.350 4.462 1.809 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.208 6.203 1.663 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.808 7.414 -0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.249 6.539 -0.577 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.654 6.180 -1.279 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.537 5.063 0.236 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.696 5.970 -0.765 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.841 4.203 -0.617 1.00 0.00 H new ATOM 853 N LEU A 60 8.301 3.262 -1.142 1.00 0.00 N ATOM 854 CA LEU A 60 9.686 3.157 -1.570 1.00 0.00 C ATOM 855 C LEU A 60 10.110 4.466 -2.237 1.00 0.00 C ATOM 856 O LEU A 60 11.130 5.050 -1.874 1.00 0.00 O ATOM 857 CB LEU A 60 9.881 1.924 -2.455 1.00 0.00 C ATOM 858 CG LEU A 60 9.267 0.622 -1.936 1.00 0.00 C ATOM 859 CD1 LEU A 60 9.480 -0.520 -2.932 1.00 0.00 C ATOM 860 CD2 LEU A 60 9.805 0.278 -0.546 1.00 0.00 C ATOM 0 H LEU A 60 7.640 2.723 -1.701 1.00 0.00 H new ATOM 0 HA LEU A 60 10.340 3.011 -0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.458 2.136 -3.437 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.951 1.767 -2.595 1.00 0.00 H new ATOM 0 HG LEU A 60 8.191 0.767 -1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.034 -1.434 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.010 -0.267 -3.882 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.548 -0.674 -3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.353 -0.652 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.887 0.159 -0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.559 1.081 0.148 1.00 0.00 H new ATOM 872 N ARG A 61 9.307 4.889 -3.202 1.00 0.00 N ATOM 873 CA ARG A 61 9.586 6.119 -3.924 1.00 0.00 C ATOM 874 C ARG A 61 8.330 6.988 -3.998 1.00 0.00 C ATOM 875 O ARG A 61 7.222 6.505 -3.769 1.00 0.00 O ATOM 876 CB ARG A 61 10.079 5.825 -5.342 1.00 0.00 C ATOM 877 CG ARG A 61 11.590 5.586 -5.360 1.00 0.00 C ATOM 878 CD ARG A 61 12.006 4.796 -6.602 1.00 0.00 C ATOM 879 NE ARG A 61 13.368 4.247 -6.420 1.00 0.00 N ATOM 880 CZ ARG A 61 14.157 3.845 -7.426 1.00 0.00 C ATOM 881 NH1 ARG A 61 13.724 3.929 -8.691 1.00 0.00 N ATOM 882 NH2 ARG A 61 15.379 3.359 -7.166 1.00 0.00 N ATOM 0 H ARG A 61 8.462 4.402 -3.501 1.00 0.00 H new ATOM 0 HA ARG A 61 10.368 6.651 -3.382 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.564 4.948 -5.735 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.832 6.660 -5.997 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.113 6.542 -5.341 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.886 5.042 -4.463 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.299 3.986 -6.781 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.980 5.442 -7.480 1.00 0.00 H new ATOM 0 HE ARG A 61 13.729 4.170 -5.469 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.794 4.299 -8.888 1.00 0.00 H new ATOM 0 HH12 ARG A 61 14.324 3.623 -9.457 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.708 3.295 -6.203 1.00 0.00 H new ATOM 0 HH22 ARG A 61 15.980 3.053 -7.931 1.00 0.00 H new ATOM 896 N VAL A 62 8.544 8.256 -4.317 1.00 0.00 N ATOM 897 CA VAL A 62 7.442 9.197 -4.424 1.00 0.00 C ATOM 898 C VAL A 62 7.721 10.175 -5.568 1.00 0.00 C ATOM 899 O VAL A 62 8.657 10.970 -5.496 1.00 0.00 O ATOM 900 CB VAL A 62 7.220 9.897 -3.081 1.00 0.00 C ATOM 901 CG1 VAL A 62 8.114 11.131 -2.951 1.00 0.00 C ATOM 902 CG2 VAL A 62 5.747 10.264 -2.892 1.00 0.00 C ATOM 0 H VAL A 62 9.464 8.654 -4.505 1.00 0.00 H new ATOM 0 HA VAL A 62 6.515 8.674 -4.661 1.00 0.00 H new ATOM 0 HB VAL A 62 7.496 9.200 -2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.936 11.609 -1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.160 10.832 -3.020 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.884 11.833 -3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.616 10.760 -1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.434 10.935 -3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.140 9.359 -2.919 1.00 0.00 H new ATOM 912 N ASN A 63 6.892 10.083 -6.597 1.00 0.00 N ATOM 913 CA ASN A 63 7.037 10.949 -7.755 1.00 0.00 C ATOM 914 C ASN A 63 8.152 10.410 -8.653 1.00 0.00 C ATOM 915 O ASN A 63 7.906 10.044 -9.801 1.00 0.00 O ATOM 916 CB ASN A 63 7.415 12.371 -7.335 1.00 0.00 C ATOM 917 CG ASN A 63 7.046 13.381 -8.423 1.00 0.00 C ATOM 918 OD1 ASN A 63 7.893 13.945 -9.095 1.00 0.00 O ATOM 919 ND2 ASN A 63 5.737 13.576 -8.559 1.00 0.00 N ATOM 0 H ASN A 63 6.117 9.422 -6.653 1.00 0.00 H new ATOM 0 HA ASN A 63 6.083 10.970 -8.282 1.00 0.00 H new ATOM 0 HB2 ASN A 63 6.904 12.628 -6.407 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.485 12.422 -7.134 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.389 14.231 -9.259 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.081 13.071 -7.963 1.00 0.00 H new ATOM 926 N ASP A 64 9.354 10.377 -8.096 1.00 0.00 N ATOM 927 CA ASP A 64 10.507 9.888 -8.832 1.00 0.00 C ATOM 928 C ASP A 64 11.642 9.587 -7.852 1.00 0.00 C ATOM 929 O ASP A 64 12.303 8.555 -7.959 1.00 0.00 O ATOM 930 CB ASP A 64 11.008 10.935 -9.829 1.00 0.00 C ATOM 931 CG ASP A 64 12.408 10.677 -10.389 1.00 0.00 C ATOM 932 OD1 ASP A 64 12.713 9.489 -10.631 1.00 0.00 O ATOM 933 OD2 ASP A 64 13.143 11.674 -10.561 1.00 0.00 O ATOM 0 H ASP A 64 9.554 10.681 -7.143 1.00 0.00 H new ATOM 0 HA ASP A 64 10.207 8.990 -9.372 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.305 10.989 -10.660 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.002 11.910 -9.342 1.00 0.00 H new ATOM 938 N LYS A 65 11.835 10.507 -6.919 1.00 0.00 N ATOM 939 CA LYS A 65 12.879 10.354 -5.920 1.00 0.00 C ATOM 940 C LYS A 65 12.490 9.238 -4.949 1.00 0.00 C ATOM 941 O LYS A 65 11.322 8.859 -4.869 1.00 0.00 O ATOM 942 CB LYS A 65 13.168 11.692 -5.236 1.00 0.00 C ATOM 943 CG LYS A 65 14.066 12.571 -6.110 1.00 0.00 C ATOM 944 CD LYS A 65 14.925 13.501 -5.250 1.00 0.00 C ATOM 945 CE LYS A 65 15.942 14.256 -6.109 1.00 0.00 C ATOM 946 NZ LYS A 65 15.571 15.685 -6.214 1.00 0.00 N ATOM 0 H LYS A 65 11.286 11.362 -6.834 1.00 0.00 H new ATOM 0 HA LYS A 65 13.815 10.055 -6.391 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.231 12.211 -5.033 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.650 11.516 -4.274 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.709 11.942 -6.726 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.452 13.162 -6.790 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.286 14.212 -4.727 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.446 12.921 -4.489 1.00 0.00 H new ATOM 0 HE2 LYS A 65 16.936 14.163 -5.672 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.988 13.812 -7.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.271 16.183 -6.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.631 15.768 -6.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.550 16.109 -5.265 1.00 0.00 H new ATOM 960 N SER A 66 13.490 8.743 -4.234 1.00 0.00 N ATOM 961 CA SER A 66 13.266 7.678 -3.271 1.00 0.00 C ATOM 962 C SER A 66 13.426 8.217 -1.849 1.00 0.00 C ATOM 963 O SER A 66 14.332 9.005 -1.578 1.00 0.00 O ATOM 964 CB SER A 66 14.227 6.511 -3.508 1.00 0.00 C ATOM 965 OG SER A 66 15.590 6.908 -3.384 1.00 0.00 O ATOM 0 H SER A 66 14.457 9.060 -4.302 1.00 0.00 H new ATOM 0 HA SER A 66 12.249 7.308 -3.400 1.00 0.00 H new ATOM 0 HB2 SER A 66 14.015 5.716 -2.793 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.059 6.099 -4.503 1.00 0.00 H new ATOM 0 HG SER A 66 16.171 6.135 -3.541 1.00 0.00 H new ATOM 971 N LEU A 67 12.533 7.772 -0.977 1.00 0.00 N ATOM 972 CA LEU A 67 12.564 8.200 0.411 1.00 0.00 C ATOM 973 C LEU A 67 13.507 7.289 1.200 1.00 0.00 C ATOM 974 O LEU A 67 13.154 6.807 2.275 1.00 0.00 O ATOM 975 CB LEU A 67 11.147 8.262 0.984 1.00 0.00 C ATOM 976 CG LEU A 67 10.065 8.794 0.042 1.00 0.00 C ATOM 977 CD1 LEU A 67 8.683 8.277 0.446 1.00 0.00 C ATOM 978 CD2 LEU A 67 10.107 10.322 -0.033 1.00 0.00 C ATOM 0 H LEU A 67 11.783 7.119 -1.205 1.00 0.00 H new ATOM 0 HA LEU A 67 12.959 9.213 0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.862 7.260 1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.164 8.888 1.876 1.00 0.00 H new ATOM 0 HG LEU A 67 10.269 8.417 -0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.933 8.670 -0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.676 7.188 0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.454 8.604 1.460 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.328 10.675 -0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.942 10.740 0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.081 10.641 -0.404 1.00 0.00 H new ATOM 990 N ALA A 68 14.687 7.081 0.636 1.00 0.00 N ATOM 991 CA ALA A 68 15.683 6.237 1.273 1.00 0.00 C ATOM 992 C ALA A 68 15.994 6.785 2.667 1.00 0.00 C ATOM 993 O ALA A 68 16.769 7.729 2.808 1.00 0.00 O ATOM 994 CB ALA A 68 16.928 6.158 0.387 1.00 0.00 C ATOM 0 H ALA A 68 14.976 7.483 -0.256 1.00 0.00 H new ATOM 0 HA ALA A 68 15.304 5.222 1.395 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.675 5.525 0.865 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.659 5.735 -0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 68 17.337 7.158 0.245 1.00 0.00 H new ATOM 1000 N ARG A 69 15.372 6.169 3.662 1.00 0.00 N ATOM 1001 CA ARG A 69 15.572 6.584 5.040 1.00 0.00 C ATOM 1002 C ARG A 69 15.638 8.110 5.131 1.00 0.00 C ATOM 1003 O ARG A 69 16.724 8.688 5.160 1.00 0.00 O ATOM 1004 CB ARG A 69 16.861 5.990 5.613 1.00 0.00 C ATOM 1005 CG ARG A 69 16.568 4.729 6.427 1.00 0.00 C ATOM 1006 CD ARG A 69 17.317 4.751 7.761 1.00 0.00 C ATOM 1007 NE ARG A 69 17.340 3.395 8.352 1.00 0.00 N ATOM 1008 CZ ARG A 69 18.008 3.073 9.469 1.00 0.00 C ATOM 1009 NH1 ARG A 69 18.711 4.008 10.122 1.00 0.00 N ATOM 1010 NH2 ARG A 69 17.972 1.816 9.932 1.00 0.00 N ATOM 0 H ARG A 69 14.730 5.386 3.541 1.00 0.00 H new ATOM 0 HA ARG A 69 14.726 6.218 5.622 1.00 0.00 H new ATOM 0 HB2 ARG A 69 17.548 5.752 4.801 1.00 0.00 H new ATOM 0 HB3 ARG A 69 17.357 6.728 6.244 1.00 0.00 H new ATOM 0 HG2 ARG A 69 15.496 4.650 6.609 1.00 0.00 H new ATOM 0 HG3 ARG A 69 16.860 3.847 5.856 1.00 0.00 H new ATOM 0 HD2 ARG A 69 18.336 5.108 7.609 1.00 0.00 H new ATOM 0 HD3 ARG A 69 16.834 5.447 8.447 1.00 0.00 H new ATOM 0 HE ARG A 69 16.815 2.659 7.880 1.00 0.00 H new ATOM 0 HH11 ARG A 69 18.738 4.965 9.769 1.00 0.00 H new ATOM 0 HH12 ARG A 69 19.219 3.763 10.972 1.00 0.00 H new ATOM 0 HH21 ARG A 69 17.437 1.104 9.435 1.00 0.00 H new ATOM 0 HH22 ARG A 69 18.480 1.571 10.782 1.00 0.00 H new ATOM 1024 N VAL A 70 14.462 8.720 5.174 1.00 0.00 N ATOM 1025 CA VAL A 70 14.373 10.167 5.261 1.00 0.00 C ATOM 1026 C VAL A 70 13.375 10.547 6.357 1.00 0.00 C ATOM 1027 O VAL A 70 12.425 9.811 6.619 1.00 0.00 O ATOM 1028 CB VAL A 70 14.011 10.752 3.894 1.00 0.00 C ATOM 1029 CG1 VAL A 70 15.167 10.591 2.905 1.00 0.00 C ATOM 1030 CG2 VAL A 70 12.730 10.118 3.349 1.00 0.00 C ATOM 0 H VAL A 70 13.563 8.238 5.150 1.00 0.00 H new ATOM 0 HA VAL A 70 15.337 10.593 5.537 1.00 0.00 H new ATOM 0 HB VAL A 70 13.828 11.819 4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.883 11.015 1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 70 16.046 11.111 3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 70 15.396 9.532 2.782 1.00 0.00 H new ATOM 0 HG21 VAL A 70 12.495 10.551 2.377 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.873 9.043 3.242 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.908 10.308 4.039 1.00 0.00 H new ATOM 1040 N THR A 71 13.625 11.696 6.968 1.00 0.00 N ATOM 1041 CA THR A 71 12.761 12.182 8.030 1.00 0.00 C ATOM 1042 C THR A 71 11.319 12.300 7.532 1.00 0.00 C ATOM 1043 O THR A 71 11.077 12.350 6.327 1.00 0.00 O ATOM 1044 CB THR A 71 13.337 13.504 8.541 1.00 0.00 C ATOM 1045 OG1 THR A 71 13.503 14.289 7.364 1.00 0.00 O ATOM 1046 CG2 THR A 71 14.758 13.350 9.089 1.00 0.00 C ATOM 0 H THR A 71 14.414 12.304 6.748 1.00 0.00 H new ATOM 0 HA THR A 71 12.728 11.481 8.864 1.00 0.00 H new ATOM 0 HB THR A 71 12.688 13.905 9.320 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.871 15.165 7.604 1.00 0.00 H new ATOM 0 HG21 THR A 71 15.120 14.317 9.438 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.753 12.643 9.918 1.00 0.00 H new ATOM 0 HG23 THR A 71 15.414 12.980 8.301 1.00 0.00 H new ATOM 1054 N HIS A 72 10.399 12.343 8.485 1.00 0.00 N ATOM 1055 CA HIS A 72 8.988 12.454 8.158 1.00 0.00 C ATOM 1056 C HIS A 72 8.741 13.751 7.385 1.00 0.00 C ATOM 1057 O HIS A 72 7.829 13.824 6.562 1.00 0.00 O ATOM 1058 CB HIS A 72 8.128 12.342 9.418 1.00 0.00 C ATOM 1059 CG HIS A 72 6.748 11.779 9.173 1.00 0.00 C ATOM 1060 ND1 HIS A 72 5.590 12.476 9.472 1.00 0.00 N ATOM 1061 CD2 HIS A 72 6.354 10.582 8.653 1.00 0.00 C ATOM 1062 CE1 HIS A 72 4.552 11.721 9.144 1.00 0.00 C ATOM 1063 NE2 HIS A 72 5.027 10.547 8.637 1.00 0.00 N ATOM 0 H HIS A 72 10.604 12.303 9.483 1.00 0.00 H new ATOM 0 HA HIS A 72 8.694 11.626 7.513 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.643 11.711 10.142 1.00 0.00 H new ATOM 0 HB3 HIS A 72 8.031 13.330 9.868 1.00 0.00 H new ATOM 0 HD1 HIS A 72 5.544 13.411 9.876 1.00 0.00 H new ATOM 0 HD2 HIS A 72 7.010 9.795 8.312 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.512 11.988 9.258 1.00 0.00 H new ATOM 1071 N ALA A 73 9.570 14.743 7.677 1.00 0.00 N ATOM 1072 CA ALA A 73 9.453 16.034 7.019 1.00 0.00 C ATOM 1073 C ALA A 73 9.889 15.899 5.559 1.00 0.00 C ATOM 1074 O ALA A 73 9.368 16.591 4.686 1.00 0.00 O ATOM 1075 CB ALA A 73 10.280 17.071 7.781 1.00 0.00 C ATOM 0 H ALA A 73 10.325 14.679 8.360 1.00 0.00 H new ATOM 0 HA ALA A 73 8.418 16.375 7.023 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.193 18.039 7.288 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.912 17.150 8.804 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.326 16.764 7.795 1.00 0.00 H new ATOM 1081 N GLU A 74 10.840 15.003 5.339 1.00 0.00 N ATOM 1082 CA GLU A 74 11.351 14.768 4.000 1.00 0.00 C ATOM 1083 C GLU A 74 10.270 14.134 3.122 1.00 0.00 C ATOM 1084 O GLU A 74 9.916 14.678 2.077 1.00 0.00 O ATOM 1085 CB GLU A 74 12.608 13.896 4.038 1.00 0.00 C ATOM 1086 CG GLU A 74 13.859 14.746 4.269 1.00 0.00 C ATOM 1087 CD GLU A 74 14.111 15.684 3.087 1.00 0.00 C ATOM 1088 OE1 GLU A 74 14.287 15.153 1.969 1.00 0.00 O ATOM 1089 OE2 GLU A 74 14.122 16.910 3.328 1.00 0.00 O ATOM 0 H GLU A 74 11.270 14.431 6.066 1.00 0.00 H new ATOM 0 HA GLU A 74 11.628 15.728 3.564 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.516 13.154 4.832 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.704 13.349 3.100 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.743 15.329 5.182 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.723 14.097 4.413 1.00 0.00 H new ATOM 1096 N ALA A 75 9.776 12.993 3.578 1.00 0.00 N ATOM 1097 CA ALA A 75 8.742 12.279 2.848 1.00 0.00 C ATOM 1098 C ALA A 75 7.579 13.230 2.559 1.00 0.00 C ATOM 1099 O ALA A 75 7.127 13.336 1.420 1.00 0.00 O ATOM 1100 CB ALA A 75 8.306 11.051 3.649 1.00 0.00 C ATOM 0 H ALA A 75 10.073 12.545 4.445 1.00 0.00 H new ATOM 0 HA ALA A 75 9.124 11.924 1.891 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.530 10.516 3.101 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.162 10.394 3.802 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.915 11.367 4.616 1.00 0.00 H new ATOM 1106 N VAL A 76 7.128 13.899 3.610 1.00 0.00 N ATOM 1107 CA VAL A 76 6.026 14.837 3.484 1.00 0.00 C ATOM 1108 C VAL A 76 6.348 15.850 2.383 1.00 0.00 C ATOM 1109 O VAL A 76 5.590 15.992 1.424 1.00 0.00 O ATOM 1110 CB VAL A 76 5.741 15.495 4.835 1.00 0.00 C ATOM 1111 CG1 VAL A 76 4.629 16.539 4.714 1.00 0.00 C ATOM 1112 CG2 VAL A 76 5.394 14.445 5.893 1.00 0.00 C ATOM 0 H VAL A 76 7.506 13.810 4.553 1.00 0.00 H new ATOM 0 HA VAL A 76 5.114 14.317 3.192 1.00 0.00 H new ATOM 0 HB VAL A 76 6.648 16.008 5.155 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.447 16.991 5.689 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.931 17.311 4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.716 16.059 4.360 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.196 14.939 6.844 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.509 13.892 5.580 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.230 13.756 6.009 1.00 0.00 H new ATOM 1122 N LYS A 77 7.474 16.527 2.556 1.00 0.00 N ATOM 1123 CA LYS A 77 7.905 17.522 1.589 1.00 0.00 C ATOM 1124 C LYS A 77 7.900 16.903 0.190 1.00 0.00 C ATOM 1125 O LYS A 77 7.831 17.618 -0.808 1.00 0.00 O ATOM 1126 CB LYS A 77 9.257 18.113 1.996 1.00 0.00 C ATOM 1127 CG LYS A 77 9.073 19.331 2.903 1.00 0.00 C ATOM 1128 CD LYS A 77 10.411 20.021 3.172 1.00 0.00 C ATOM 1129 CE LYS A 77 10.210 21.321 3.954 1.00 0.00 C ATOM 1130 NZ LYS A 77 11.464 21.717 4.632 1.00 0.00 N ATOM 0 H LYS A 77 8.101 16.406 3.352 1.00 0.00 H new ATOM 0 HA LYS A 77 7.209 18.361 1.569 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.848 17.357 2.513 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.815 18.400 1.105 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.384 20.035 2.437 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.623 19.022 3.846 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.063 19.352 3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.911 20.234 2.227 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.890 22.113 3.278 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.417 21.190 4.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.310 22.601 5.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.753 20.967 5.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.211 21.862 3.923 1.00 0.00 H new ATOM 1144 N ALA A 78 7.975 15.580 0.163 1.00 0.00 N ATOM 1145 CA ALA A 78 7.979 14.857 -1.097 1.00 0.00 C ATOM 1146 C ALA A 78 6.538 14.564 -1.518 1.00 0.00 C ATOM 1147 O ALA A 78 6.170 14.770 -2.673 1.00 0.00 O ATOM 1148 CB ALA A 78 8.815 13.584 -0.952 1.00 0.00 C ATOM 0 H ALA A 78 8.033 14.991 0.993 1.00 0.00 H new ATOM 0 HA ALA A 78 8.435 15.459 -1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.818 13.041 -1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.837 13.849 -0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.386 12.954 -0.173 1.00 0.00 H new ATOM 1154 N LEU A 79 5.760 14.087 -0.556 1.00 0.00 N ATOM 1155 CA LEU A 79 4.367 13.763 -0.812 1.00 0.00 C ATOM 1156 C LEU A 79 3.567 15.058 -0.966 1.00 0.00 C ATOM 1157 O LEU A 79 2.864 15.470 -0.045 1.00 0.00 O ATOM 1158 CB LEU A 79 3.826 12.831 0.273 1.00 0.00 C ATOM 1159 CG LEU A 79 4.183 11.350 0.125 1.00 0.00 C ATOM 1160 CD1 LEU A 79 4.282 10.671 1.492 1.00 0.00 C ATOM 1161 CD2 LEU A 79 3.194 10.637 -0.799 1.00 0.00 C ATOM 0 H LEU A 79 6.068 13.917 0.401 1.00 0.00 H new ATOM 0 HA LEU A 79 4.269 13.214 -1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.194 13.178 1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.740 12.922 0.294 1.00 0.00 H new ATOM 0 HG LEU A 79 5.166 11.281 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.537 9.620 1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.055 11.159 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.325 10.750 2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.471 9.586 -0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.189 10.714 -0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.217 11.102 -1.785 1.00 0.00 H new ATOM 1257 N LEU A 85 1.607 12.562 -9.113 1.00 0.00 N ATOM 1258 CA LEU A 85 2.297 11.952 -7.989 1.00 0.00 C ATOM 1259 C LEU A 85 2.172 10.430 -8.084 1.00 0.00 C ATOM 1260 O LEU A 85 1.088 9.880 -7.897 1.00 0.00 O ATOM 1261 CB LEU A 85 1.784 12.530 -6.668 1.00 0.00 C ATOM 1262 CG LEU A 85 2.355 11.902 -5.395 1.00 0.00 C ATOM 1263 CD1 LEU A 85 3.835 11.556 -5.570 1.00 0.00 C ATOM 1264 CD2 LEU A 85 2.118 12.807 -4.184 1.00 0.00 C ATOM 0 HA LEU A 85 3.361 12.187 -8.022 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.002 13.598 -6.652 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.699 12.426 -6.646 1.00 0.00 H new ATOM 0 HG LEU A 85 1.826 10.968 -5.208 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.216 11.111 -4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.948 10.847 -6.390 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.397 12.463 -5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.533 12.338 -3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.604 13.769 -4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.047 12.960 -4.048 1.00 0.00 H new ATOM 1276 N VAL A 86 3.296 9.793 -8.376 1.00 0.00 N ATOM 1277 CA VAL A 86 3.326 8.345 -8.498 1.00 0.00 C ATOM 1278 C VAL A 86 3.895 7.741 -7.213 1.00 0.00 C ATOM 1279 O VAL A 86 5.103 7.776 -6.988 1.00 0.00 O ATOM 1280 CB VAL A 86 4.112 7.942 -9.747 1.00 0.00 C ATOM 1281 CG1 VAL A 86 4.417 6.443 -9.743 1.00 0.00 C ATOM 1282 CG2 VAL A 86 3.364 8.346 -11.020 1.00 0.00 C ATOM 0 H VAL A 86 4.193 10.253 -8.532 1.00 0.00 H new ATOM 0 HA VAL A 86 2.317 7.951 -8.623 1.00 0.00 H new ATOM 0 HB VAL A 86 5.062 8.477 -9.732 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.976 6.183 -10.642 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.009 6.195 -8.862 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.483 5.882 -9.722 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.944 8.048 -11.893 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.393 7.852 -11.044 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.221 9.427 -11.031 1.00 0.00 H new ATOM 1292 N LEU A 87 2.996 7.200 -6.403 1.00 0.00 N ATOM 1293 CA LEU A 87 3.393 6.589 -5.146 1.00 0.00 C ATOM 1294 C LEU A 87 3.967 5.197 -5.420 1.00 0.00 C ATOM 1295 O LEU A 87 3.294 4.347 -6.002 1.00 0.00 O ATOM 1296 CB LEU A 87 2.225 6.589 -4.158 1.00 0.00 C ATOM 1297 CG LEU A 87 1.507 7.926 -3.968 1.00 0.00 C ATOM 1298 CD1 LEU A 87 2.510 9.074 -3.842 1.00 0.00 C ATOM 1299 CD2 LEU A 87 0.495 8.170 -5.090 1.00 0.00 C ATOM 0 H LEU A 87 1.994 7.172 -6.593 1.00 0.00 H new ATOM 0 HA LEU A 87 4.182 7.172 -4.671 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.495 5.851 -4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.596 6.257 -3.188 1.00 0.00 H new ATOM 0 HG LEU A 87 0.948 7.883 -3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.973 10.013 -3.708 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.157 8.900 -2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.116 9.129 -4.746 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.001 9.127 -4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.012 8.185 -6.049 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.248 7.372 -5.090 1.00 0.00 H new ATOM 1311 N SER A 88 5.205 5.007 -4.988 1.00 0.00 N ATOM 1312 CA SER A 88 5.877 3.733 -5.179 1.00 0.00 C ATOM 1313 C SER A 88 5.769 2.889 -3.908 1.00 0.00 C ATOM 1314 O SER A 88 6.447 3.161 -2.918 1.00 0.00 O ATOM 1315 CB SER A 88 7.345 3.936 -5.558 1.00 0.00 C ATOM 1316 OG SER A 88 7.546 3.874 -6.968 1.00 0.00 O ATOM 0 H SER A 88 5.760 5.714 -4.506 1.00 0.00 H new ATOM 0 HA SER A 88 5.387 3.208 -5.999 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.685 4.902 -5.185 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.954 3.174 -5.071 1.00 0.00 H new ATOM 0 HG SER A 88 8.490 3.689 -7.156 1.00 0.00 H new ATOM 1322 N VAL A 89 4.912 1.881 -3.976 1.00 0.00 N ATOM 1323 CA VAL A 89 4.707 0.995 -2.843 1.00 0.00 C ATOM 1324 C VAL A 89 5.046 -0.440 -3.255 1.00 0.00 C ATOM 1325 O VAL A 89 4.837 -0.825 -4.404 1.00 0.00 O ATOM 1326 CB VAL A 89 3.279 1.144 -2.314 1.00 0.00 C ATOM 1327 CG1 VAL A 89 3.232 2.107 -1.127 1.00 0.00 C ATOM 1328 CG2 VAL A 89 2.327 1.594 -3.424 1.00 0.00 C ATOM 0 H VAL A 89 4.351 1.658 -4.798 1.00 0.00 H new ATOM 0 HA VAL A 89 5.373 1.263 -2.023 1.00 0.00 H new ATOM 0 HB VAL A 89 2.947 0.166 -1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.206 2.195 -0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.864 1.726 -0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.593 3.087 -1.439 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.319 1.692 -3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.656 2.556 -3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.327 0.855 -4.225 1.00 0.00 H new ATOM 1338 N TYR A 90 5.562 -1.191 -2.293 1.00 0.00 N ATOM 1339 CA TYR A 90 5.931 -2.574 -2.541 1.00 0.00 C ATOM 1340 C TYR A 90 4.898 -3.533 -1.946 1.00 0.00 C ATOM 1341 O TYR A 90 4.736 -3.598 -0.728 1.00 0.00 O ATOM 1342 CB TYR A 90 7.272 -2.786 -1.836 1.00 0.00 C ATOM 1343 CG TYR A 90 7.552 -4.241 -1.455 1.00 0.00 C ATOM 1344 CD1 TYR A 90 7.747 -5.187 -2.441 1.00 0.00 C ATOM 1345 CD2 TYR A 90 7.610 -4.607 -0.126 1.00 0.00 C ATOM 1346 CE1 TYR A 90 8.011 -6.556 -2.082 1.00 0.00 C ATOM 1347 CE2 TYR A 90 7.874 -5.977 0.233 1.00 0.00 C ATOM 1348 CZ TYR A 90 8.061 -6.884 -0.763 1.00 0.00 C ATOM 1349 OH TYR A 90 8.310 -8.177 -0.425 1.00 0.00 O ATOM 0 H TYR A 90 5.733 -0.868 -1.341 1.00 0.00 H new ATOM 0 HA TYR A 90 5.986 -2.770 -3.612 1.00 0.00 H new ATOM 0 HB2 TYR A 90 8.072 -2.431 -2.485 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.298 -2.174 -0.935 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.702 -4.900 -3.481 1.00 0.00 H new ATOM 0 HD2 TYR A 90 7.457 -3.866 0.645 1.00 0.00 H new ATOM 0 HE1 TYR A 90 8.166 -7.306 -2.843 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.922 -6.277 1.269 1.00 0.00 H new ATOM 0 HH TYR A 90 8.318 -8.264 0.551 1.00 0.00 H new ATOM 1359 N SER A 91 4.226 -4.254 -2.832 1.00 0.00 N ATOM 1360 CA SER A 91 3.214 -5.206 -2.409 1.00 0.00 C ATOM 1361 C SER A 91 3.840 -6.589 -2.226 1.00 0.00 C ATOM 1362 O SER A 91 4.648 -7.022 -3.046 1.00 0.00 O ATOM 1363 CB SER A 91 2.065 -5.272 -3.417 1.00 0.00 C ATOM 1364 OG SER A 91 1.312 -6.476 -3.290 1.00 0.00 O ATOM 0 H SER A 91 4.363 -4.198 -3.841 1.00 0.00 H new ATOM 0 HA SER A 91 2.806 -4.871 -1.455 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.406 -4.416 -3.273 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.465 -5.200 -4.428 1.00 0.00 H new ATOM 0 HG SER A 91 0.587 -6.480 -3.949 1.00 0.00 H new