USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=13 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 -104:sc= 1.14 USER MOD Set 1.2: A 58 GLN :FLIP amide:sc= -1.84! C(o=-6.7!,f=-0.7!) USER MOD Single : A 13 SER OG : rot 2:sc= 0.822 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= -0.232 X(o=-0.23,f=-0.037) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -106:sc= 1.27 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.49) 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= -0.263 USER MOD Single : A 72 HIS : no HE2:sc= -1.39 K(o=-1.4,f=-5.4!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -140:sc= -0.0518 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 6.823 -4.354 -7.196 1.00 0.00 N ATOM 82 CA VAL A 9 6.507 -2.998 -6.781 1.00 0.00 C ATOM 83 C VAL A 9 5.415 -2.433 -7.691 1.00 0.00 C ATOM 84 O VAL A 9 5.541 -2.469 -8.914 1.00 0.00 O ATOM 85 CB VAL A 9 7.776 -2.145 -6.769 1.00 0.00 C ATOM 86 CG1 VAL A 9 7.435 -0.654 -6.788 1.00 0.00 C ATOM 87 CG2 VAL A 9 8.658 -2.490 -5.567 1.00 0.00 C ATOM 0 HA VAL A 9 6.118 -2.991 -5.763 1.00 0.00 H new ATOM 0 HB VAL A 9 8.340 -2.371 -7.674 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.355 -0.070 -6.779 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.867 -0.422 -7.689 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.839 -0.406 -5.910 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.554 -1.869 -5.583 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.105 -2.307 -4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.944 -3.541 -5.615 1.00 0.00 H new ATOM 97 N ARG A 10 4.367 -1.923 -7.059 1.00 0.00 N ATOM 98 CA ARG A 10 3.254 -1.351 -7.797 1.00 0.00 C ATOM 99 C ARG A 10 3.435 0.161 -7.942 1.00 0.00 C ATOM 100 O ARG A 10 4.313 0.748 -7.311 1.00 0.00 O ATOM 101 CB ARG A 10 1.924 -1.633 -7.094 1.00 0.00 C ATOM 102 CG ARG A 10 1.850 -0.906 -5.750 1.00 0.00 C ATOM 103 CD ARG A 10 0.861 -1.596 -4.808 1.00 0.00 C ATOM 104 NE ARG A 10 1.441 -1.696 -3.450 1.00 0.00 N ATOM 105 CZ ARG A 10 0.861 -2.345 -2.431 1.00 0.00 C ATOM 106 NH1 ARG A 10 -0.318 -2.955 -2.610 1.00 0.00 N ATOM 107 NH2 ARG A 10 1.460 -2.384 -1.233 1.00 0.00 N ATOM 0 H ARG A 10 4.266 -1.894 -6.044 1.00 0.00 H new ATOM 0 HA ARG A 10 3.237 -1.815 -8.783 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.098 -1.315 -7.730 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.811 -2.706 -6.938 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.838 -0.881 -5.291 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.546 0.129 -5.908 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.073 -1.035 -4.773 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.621 -2.591 -5.184 1.00 0.00 H new ATOM 0 HE ARG A 10 2.338 -1.242 -3.279 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.774 -2.926 -3.522 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.760 -3.449 -1.835 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.358 -1.920 -1.096 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.018 -2.878 -0.458 1.00 0.00 H new ATOM 121 N LEU A 11 2.591 0.748 -8.778 1.00 0.00 N ATOM 122 CA LEU A 11 2.647 2.181 -9.014 1.00 0.00 C ATOM 123 C LEU A 11 1.272 2.793 -8.737 1.00 0.00 C ATOM 124 O LEU A 11 0.360 2.674 -9.554 1.00 0.00 O ATOM 125 CB LEU A 11 3.178 2.472 -10.419 1.00 0.00 C ATOM 126 CG LEU A 11 4.691 2.340 -10.605 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.106 2.742 -12.021 1.00 0.00 C ATOM 128 CD2 LEU A 11 5.445 3.137 -9.539 1.00 0.00 C ATOM 0 H LEU A 11 1.865 0.258 -9.300 1.00 0.00 H new ATOM 0 HA LEU A 11 3.351 2.653 -8.328 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.686 1.797 -11.119 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.885 3.485 -10.694 1.00 0.00 H new ATOM 0 HG LEU A 11 4.961 1.292 -10.476 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.186 2.639 -12.127 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.607 2.096 -12.744 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.821 3.778 -12.203 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.518 3.027 -9.693 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.174 4.190 -9.613 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.180 2.763 -8.550 1.00 0.00 H new ATOM 140 N VAL A 12 1.167 3.435 -7.583 1.00 0.00 N ATOM 141 CA VAL A 12 -0.081 4.066 -7.189 1.00 0.00 C ATOM 142 C VAL A 12 -0.034 5.551 -7.553 1.00 0.00 C ATOM 143 O VAL A 12 1.019 6.182 -7.469 1.00 0.00 O ATOM 144 CB VAL A 12 -0.342 3.824 -5.701 1.00 0.00 C ATOM 145 CG1 VAL A 12 -1.521 4.665 -5.207 1.00 0.00 C ATOM 146 CG2 VAL A 12 -0.573 2.338 -5.419 1.00 0.00 C ATOM 0 H VAL A 12 1.926 3.532 -6.908 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.919 3.625 -7.729 1.00 0.00 H new ATOM 0 HB VAL A 12 0.546 4.135 -5.151 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.685 4.474 -4.146 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.301 5.722 -5.356 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.418 4.399 -5.767 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.756 2.194 -4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.436 1.990 -5.986 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.309 1.770 -5.716 1.00 0.00 H new ATOM 156 N SER A 13 -1.187 6.067 -7.951 1.00 0.00 N ATOM 157 CA SER A 13 -1.291 7.466 -8.329 1.00 0.00 C ATOM 158 C SER A 13 -2.457 8.124 -7.588 1.00 0.00 C ATOM 159 O SER A 13 -3.604 7.704 -7.731 1.00 0.00 O ATOM 160 CB SER A 13 -1.472 7.616 -9.841 1.00 0.00 C ATOM 161 OG SER A 13 -2.822 7.398 -10.242 1.00 0.00 O ATOM 0 H SER A 13 -2.058 5.541 -8.020 1.00 0.00 H new ATOM 0 HA SER A 13 -0.363 7.965 -8.049 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.160 8.615 -10.146 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.822 6.908 -10.356 1.00 0.00 H new ATOM 0 HG SER A 13 -3.375 7.230 -9.451 1.00 0.00 H new ATOM 167 N LEU A 14 -2.122 9.144 -6.811 1.00 0.00 N ATOM 168 CA LEU A 14 -3.127 9.863 -6.047 1.00 0.00 C ATOM 169 C LEU A 14 -3.216 11.302 -6.558 1.00 0.00 C ATOM 170 O LEU A 14 -2.285 12.087 -6.381 1.00 0.00 O ATOM 171 CB LEU A 14 -2.836 9.760 -4.548 1.00 0.00 C ATOM 172 CG LEU A 14 -3.413 8.535 -3.835 1.00 0.00 C ATOM 173 CD1 LEU A 14 -4.921 8.426 -4.068 1.00 0.00 C ATOM 174 CD2 LEU A 14 -2.676 7.261 -4.250 1.00 0.00 C ATOM 0 H LEU A 14 -1.169 9.489 -6.694 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.109 9.412 -6.189 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.755 9.762 -4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.223 10.655 -4.061 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.260 8.660 -2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.306 7.547 -3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.414 9.319 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.118 8.334 -5.136 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.106 6.406 -3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.775 7.117 -5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.621 7.350 -3.992 1.00 0.00 H new ATOM 315 N LEU A 23 -4.217 12.881 -0.965 1.00 0.00 N ATOM 316 CA LEU A 23 -4.088 11.602 -1.643 1.00 0.00 C ATOM 317 C LEU A 23 -5.248 10.692 -1.231 1.00 0.00 C ATOM 318 O LEU A 23 -6.005 10.224 -2.080 1.00 0.00 O ATOM 319 CB LEU A 23 -2.708 10.995 -1.383 1.00 0.00 C ATOM 320 CG LEU A 23 -1.584 11.989 -1.082 1.00 0.00 C ATOM 321 CD1 LEU A 23 -0.236 11.274 -0.968 1.00 0.00 C ATOM 322 CD2 LEU A 23 -1.552 13.112 -2.120 1.00 0.00 C ATOM 0 HA LEU A 23 -4.154 11.735 -2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.789 10.304 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.422 10.406 -2.255 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.786 12.451 -0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.546 12.003 -0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.280 10.541 -0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.012 10.767 -1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.744 13.804 -1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.387 12.688 -3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.502 13.646 -2.108 1.00 0.00 H new ATOM 334 N GLY A 24 -5.350 10.470 0.071 1.00 0.00 N ATOM 335 CA GLY A 24 -6.404 9.624 0.605 1.00 0.00 C ATOM 336 C GLY A 24 -5.851 8.652 1.649 1.00 0.00 C ATOM 337 O GLY A 24 -6.613 7.959 2.321 1.00 0.00 O ATOM 0 H GLY A 24 -4.720 10.861 0.772 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.180 10.244 1.055 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.872 9.065 -0.205 1.00 0.00 H new ATOM 341 N PHE A 25 -4.531 8.634 1.753 1.00 0.00 N ATOM 342 CA PHE A 25 -3.867 7.758 2.704 1.00 0.00 C ATOM 343 C PHE A 25 -2.821 8.524 3.517 1.00 0.00 C ATOM 344 O PHE A 25 -2.150 9.412 2.992 1.00 0.00 O ATOM 345 CB PHE A 25 -3.167 6.666 1.894 1.00 0.00 C ATOM 346 CG PHE A 25 -1.966 7.163 1.087 1.00 0.00 C ATOM 347 CD1 PHE A 25 -0.734 7.215 1.662 1.00 0.00 C ATOM 348 CD2 PHE A 25 -2.129 7.554 -0.206 1.00 0.00 C ATOM 349 CE1 PHE A 25 0.380 7.676 0.913 1.00 0.00 C ATOM 350 CE2 PHE A 25 -1.015 8.015 -0.954 1.00 0.00 C ATOM 351 CZ PHE A 25 0.217 8.067 -0.379 1.00 0.00 C ATOM 0 H PHE A 25 -3.903 9.212 1.195 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.596 7.343 3.400 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.835 5.880 2.573 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.888 6.215 1.212 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.604 6.905 2.688 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.107 7.513 -0.663 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.358 7.716 1.370 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.145 8.325 -1.980 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.065 8.419 -0.948 1.00 0.00 H new ATOM 361 N SER A 26 -2.715 8.153 4.784 1.00 0.00 N ATOM 362 CA SER A 26 -1.762 8.794 5.674 1.00 0.00 C ATOM 363 C SER A 26 -0.489 7.950 5.773 1.00 0.00 C ATOM 364 O SER A 26 -0.553 6.722 5.773 1.00 0.00 O ATOM 365 CB SER A 26 -2.365 9.010 7.064 1.00 0.00 C ATOM 366 OG SER A 26 -2.625 10.386 7.324 1.00 0.00 O ATOM 0 H SER A 26 -3.273 7.417 5.216 1.00 0.00 H new ATOM 0 HA SER A 26 -1.512 9.771 5.261 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.292 8.443 7.149 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.683 8.621 7.820 1.00 0.00 H new ATOM 0 HG SER A 26 -3.011 10.482 8.220 1.00 0.00 H new ATOM 372 N ILE A 27 0.637 8.643 5.856 1.00 0.00 N ATOM 373 CA ILE A 27 1.923 7.973 5.955 1.00 0.00 C ATOM 374 C ILE A 27 2.444 8.090 7.389 1.00 0.00 C ATOM 375 O ILE A 27 1.907 8.855 8.188 1.00 0.00 O ATOM 376 CB ILE A 27 2.892 8.514 4.902 1.00 0.00 C ATOM 377 CG1 ILE A 27 3.326 9.942 5.239 1.00 0.00 C ATOM 378 CG2 ILE A 27 2.290 8.414 3.499 1.00 0.00 C ATOM 379 CD1 ILE A 27 4.754 10.209 4.760 1.00 0.00 C ATOM 0 H ILE A 27 0.686 9.662 5.857 1.00 0.00 H new ATOM 0 HA ILE A 27 1.817 6.910 5.739 1.00 0.00 H new ATOM 0 HB ILE A 27 3.788 7.894 4.912 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.644 10.653 4.773 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.264 10.100 6.316 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.999 8.805 2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.072 7.371 3.270 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.368 8.995 3.456 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.037 11.231 5.012 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.437 9.513 5.246 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.807 10.074 3.680 1.00 0.00 H new ATOM 391 N ARG A 28 3.484 7.319 7.671 1.00 0.00 N ATOM 392 CA ARG A 28 4.084 7.326 8.994 1.00 0.00 C ATOM 393 C ARG A 28 5.543 6.872 8.918 1.00 0.00 C ATOM 394 O ARG A 28 6.024 6.493 7.851 1.00 0.00 O ATOM 395 CB ARG A 28 3.321 6.407 9.950 1.00 0.00 C ATOM 396 CG ARG A 28 3.413 4.948 9.499 1.00 0.00 C ATOM 397 CD ARG A 28 3.563 4.012 10.700 1.00 0.00 C ATOM 398 NE ARG A 28 2.784 4.531 11.847 1.00 0.00 N ATOM 399 CZ ARG A 28 2.892 4.069 13.099 1.00 0.00 C ATOM 400 NH1 ARG A 28 3.748 3.075 13.375 1.00 0.00 N ATOM 401 NH2 ARG A 28 2.146 4.600 14.077 1.00 0.00 N ATOM 0 H ARG A 28 3.926 6.685 7.005 1.00 0.00 H new ATOM 0 HA ARG A 28 4.037 8.347 9.374 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.727 6.506 10.957 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.276 6.712 9.996 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.520 4.681 8.935 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.263 4.824 8.828 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.217 3.012 10.438 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.614 3.924 10.974 1.00 0.00 H new ATOM 0 HE ARG A 28 2.123 5.288 11.672 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.317 2.671 12.631 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.830 2.723 14.329 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.495 5.357 13.868 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.229 4.247 15.030 1.00 0.00 H new ATOM 415 N GLY A 29 6.207 6.926 10.063 1.00 0.00 N ATOM 416 CA GLY A 29 7.601 6.525 10.140 1.00 0.00 C ATOM 417 C GLY A 29 8.529 7.729 9.963 1.00 0.00 C ATOM 418 O GLY A 29 8.223 8.825 10.429 1.00 0.00 O ATOM 0 H GLY A 29 5.805 7.242 10.946 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.794 6.051 11.102 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.812 5.782 9.371 1.00 0.00 H new ATOM 422 N GLY A 30 9.643 7.483 9.290 1.00 0.00 N ATOM 423 CA GLY A 30 10.617 8.534 9.047 1.00 0.00 C ATOM 424 C GLY A 30 12.008 8.113 9.524 1.00 0.00 C ATOM 425 O GLY A 30 12.137 7.238 10.379 1.00 0.00 O ATOM 0 H GLY A 30 9.893 6.572 8.905 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.649 8.766 7.983 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.312 9.444 9.563 1.00 0.00 H new ATOM 429 N SER A 31 13.015 8.756 8.952 1.00 0.00 N ATOM 430 CA SER A 31 14.392 8.459 9.308 1.00 0.00 C ATOM 431 C SER A 31 14.639 8.808 10.777 1.00 0.00 C ATOM 432 O SER A 31 15.484 8.196 11.430 1.00 0.00 O ATOM 433 CB SER A 31 15.370 9.221 8.411 1.00 0.00 C ATOM 434 OG SER A 31 16.699 9.193 8.924 1.00 0.00 O ATOM 0 H SER A 31 12.905 9.482 8.244 1.00 0.00 H new ATOM 0 HA SER A 31 14.561 7.392 9.160 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.358 8.787 7.411 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.041 10.256 8.313 1.00 0.00 H new ATOM 0 HG SER A 31 17.292 9.689 8.322 1.00 0.00 H new ATOM 440 N GLU A 32 13.887 9.788 11.254 1.00 0.00 N ATOM 441 CA GLU A 32 14.013 10.225 12.635 1.00 0.00 C ATOM 442 C GLU A 32 13.823 9.041 13.585 1.00 0.00 C ATOM 443 O GLU A 32 14.564 8.895 14.556 1.00 0.00 O ATOM 444 CB GLU A 32 13.020 11.345 12.948 1.00 0.00 C ATOM 445 CG GLU A 32 13.226 11.879 14.367 1.00 0.00 C ATOM 446 CD GLU A 32 12.272 13.039 14.660 1.00 0.00 C ATOM 447 OE1 GLU A 32 12.439 14.090 14.005 1.00 0.00 O ATOM 448 OE2 GLU A 32 11.398 12.849 15.533 1.00 0.00 O ATOM 0 H GLU A 32 13.188 10.293 10.709 1.00 0.00 H new ATOM 0 HA GLU A 32 15.017 10.624 12.780 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.142 12.155 12.229 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.001 10.973 12.840 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.063 11.078 15.088 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.257 12.212 14.488 1.00 0.00 H new ATOM 455 N HIS A 33 12.826 8.227 13.273 1.00 0.00 N ATOM 456 CA HIS A 33 12.529 7.061 14.087 1.00 0.00 C ATOM 457 C HIS A 33 13.444 5.904 13.681 1.00 0.00 C ATOM 458 O HIS A 33 13.577 4.926 14.415 1.00 0.00 O ATOM 459 CB HIS A 33 11.044 6.701 14.000 1.00 0.00 C ATOM 460 CG HIS A 33 10.240 7.114 15.209 1.00 0.00 C ATOM 461 ND1 HIS A 33 9.081 6.463 15.597 1.00 0.00 N ATOM 462 CD2 HIS A 33 10.439 8.116 16.112 1.00 0.00 C ATOM 463 CE1 HIS A 33 8.612 7.056 16.685 1.00 0.00 C ATOM 464 NE2 HIS A 33 9.455 8.081 17.002 1.00 0.00 N ATOM 0 H HIS A 33 12.213 8.352 12.467 1.00 0.00 H new ATOM 0 HA HIS A 33 12.728 7.285 15.135 1.00 0.00 H new ATOM 0 HB2 HIS A 33 10.618 7.173 13.115 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.949 5.624 13.864 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.259 8.819 16.104 1.00 0.00 H new ATOM 0 HE1 HIS A 33 7.720 6.777 17.226 1.00 0.00 H new ATOM 0 HE2 HIS A 33 9.347 8.716 17.793 1.00 0.00 H new ATOM 472 N GLY A 34 14.053 6.055 12.514 1.00 0.00 N ATOM 473 CA GLY A 34 14.952 5.036 12.001 1.00 0.00 C ATOM 474 C GLY A 34 14.240 4.134 10.991 1.00 0.00 C ATOM 475 O GLY A 34 14.856 3.246 10.404 1.00 0.00 O ATOM 0 H GLY A 34 13.941 6.868 11.909 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.812 5.510 11.528 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.333 4.434 12.826 1.00 0.00 H new ATOM 479 N VAL A 35 12.952 4.393 10.820 1.00 0.00 N ATOM 480 CA VAL A 35 12.149 3.616 9.891 1.00 0.00 C ATOM 481 C VAL A 35 11.962 4.411 8.597 1.00 0.00 C ATOM 482 O VAL A 35 12.197 5.618 8.566 1.00 0.00 O ATOM 483 CB VAL A 35 10.824 3.222 10.547 1.00 0.00 C ATOM 484 CG1 VAL A 35 11.017 2.925 12.036 1.00 0.00 C ATOM 485 CG2 VAL A 35 9.764 4.305 10.336 1.00 0.00 C ATOM 0 H VAL A 35 12.444 5.130 11.309 1.00 0.00 H new ATOM 0 HA VAL A 35 12.657 2.687 9.632 1.00 0.00 H new ATOM 0 HB VAL A 35 10.470 2.310 10.067 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.060 2.647 12.479 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.724 2.104 12.155 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.405 3.812 12.537 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.832 4.000 10.812 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.107 5.241 10.777 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.596 4.447 9.268 1.00 0.00 H new ATOM 495 N GLY A 36 11.541 3.701 7.560 1.00 0.00 N ATOM 496 CA GLY A 36 11.320 4.325 6.267 1.00 0.00 C ATOM 497 C GLY A 36 9.960 5.024 6.220 1.00 0.00 C ATOM 498 O GLY A 36 9.659 5.862 7.069 1.00 0.00 O ATOM 0 H GLY A 36 11.347 2.700 7.589 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.111 5.048 6.068 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.372 3.571 5.482 1.00 0.00 H new ATOM 502 N ILE A 37 9.174 4.654 5.220 1.00 0.00 N ATOM 503 CA ILE A 37 7.852 5.235 5.052 1.00 0.00 C ATOM 504 C ILE A 37 6.826 4.114 4.878 1.00 0.00 C ATOM 505 O ILE A 37 7.109 3.102 4.239 1.00 0.00 O ATOM 506 CB ILE A 37 7.855 6.250 3.908 1.00 0.00 C ATOM 507 CG1 ILE A 37 9.066 7.180 4.003 1.00 0.00 C ATOM 508 CG2 ILE A 37 6.538 7.027 3.861 1.00 0.00 C ATOM 509 CD1 ILE A 37 8.993 8.049 5.260 1.00 0.00 C ATOM 0 H ILE A 37 9.427 3.959 4.518 1.00 0.00 H new ATOM 0 HA ILE A 37 7.565 5.794 5.942 1.00 0.00 H new ATOM 0 HB ILE A 37 7.941 5.705 2.968 1.00 0.00 H new ATOM 0 HG12 ILE A 37 9.982 6.590 4.018 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.111 7.816 3.119 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.566 7.742 3.039 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.711 6.333 3.710 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.397 7.561 4.801 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.866 8.701 5.303 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.088 8.656 5.231 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.973 7.410 6.143 1.00 0.00 H new ATOM 521 N TYR A 38 5.654 4.332 5.458 1.00 0.00 N ATOM 522 CA TYR A 38 4.584 3.353 5.375 1.00 0.00 C ATOM 523 C TYR A 38 3.227 3.999 5.663 1.00 0.00 C ATOM 524 O TYR A 38 3.150 4.998 6.376 1.00 0.00 O ATOM 525 CB TYR A 38 4.880 2.312 6.455 1.00 0.00 C ATOM 526 CG TYR A 38 6.278 1.698 6.362 1.00 0.00 C ATOM 527 CD1 TYR A 38 7.334 2.281 7.032 1.00 0.00 C ATOM 528 CD2 TYR A 38 6.483 0.560 5.607 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.650 1.703 6.943 1.00 0.00 C ATOM 530 CE2 TYR A 38 7.799 -0.017 5.518 1.00 0.00 C ATOM 531 CZ TYR A 38 8.818 0.582 6.191 1.00 0.00 C ATOM 532 OH TYR A 38 10.061 0.037 6.107 1.00 0.00 O ATOM 0 H TYR A 38 5.423 5.173 5.987 1.00 0.00 H new ATOM 0 HA TYR A 38 4.538 2.917 4.377 1.00 0.00 H new ATOM 0 HB2 TYR A 38 4.763 2.776 7.434 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.139 1.515 6.389 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.174 3.171 7.623 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.656 0.103 5.083 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.485 2.150 7.462 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.973 -0.906 4.930 1.00 0.00 H new ATOM 0 HH TYR A 38 10.455 0.254 5.236 1.00 0.00 H new ATOM 542 N VAL A 39 2.190 3.401 5.095 1.00 0.00 N ATOM 543 CA VAL A 39 0.841 3.904 5.282 1.00 0.00 C ATOM 544 C VAL A 39 0.350 3.528 6.681 1.00 0.00 C ATOM 545 O VAL A 39 0.553 2.402 7.132 1.00 0.00 O ATOM 546 CB VAL A 39 -0.071 3.385 4.168 1.00 0.00 C ATOM 547 CG1 VAL A 39 -1.542 3.647 4.497 1.00 0.00 C ATOM 548 CG2 VAL A 39 0.307 3.999 2.819 1.00 0.00 C ATOM 0 H VAL A 39 2.258 2.572 4.505 1.00 0.00 H new ATOM 0 HA VAL A 39 0.827 4.992 5.214 1.00 0.00 H new ATOM 0 HB VAL A 39 0.069 2.306 4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.168 3.269 3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.803 3.141 5.426 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.704 4.719 4.610 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.357 3.613 2.045 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.210 5.083 2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.337 3.738 2.577 1.00 0.00 H new ATOM 558 N SER A 40 -0.288 4.492 7.329 1.00 0.00 N ATOM 559 CA SER A 40 -0.810 4.275 8.668 1.00 0.00 C ATOM 560 C SER A 40 -2.339 4.264 8.638 1.00 0.00 C ATOM 561 O SER A 40 -2.978 3.755 9.558 1.00 0.00 O ATOM 562 CB SER A 40 -0.305 5.347 9.636 1.00 0.00 C ATOM 563 OG SER A 40 -1.031 6.567 9.507 1.00 0.00 O ATOM 0 H SER A 40 -0.455 5.425 6.952 1.00 0.00 H new ATOM 0 HA SER A 40 -0.453 3.308 9.022 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.390 4.981 10.659 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.753 5.533 9.451 1.00 0.00 H new ATOM 0 HG SER A 40 -0.680 7.225 10.143 1.00 0.00 H new ATOM 569 N LEU A 41 -2.883 4.832 7.572 1.00 0.00 N ATOM 570 CA LEU A 41 -4.325 4.895 7.410 1.00 0.00 C ATOM 571 C LEU A 41 -4.665 4.957 5.920 1.00 0.00 C ATOM 572 O LEU A 41 -3.899 5.503 5.127 1.00 0.00 O ATOM 573 CB LEU A 41 -4.906 6.054 8.222 1.00 0.00 C ATOM 574 CG LEU A 41 -6.422 6.242 8.133 1.00 0.00 C ATOM 575 CD1 LEU A 41 -6.962 6.939 9.384 1.00 0.00 C ATOM 576 CD2 LEU A 41 -6.808 6.984 6.852 1.00 0.00 C ATOM 0 H LEU A 41 -2.350 5.253 6.811 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.792 3.993 7.806 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.639 5.908 9.269 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.426 6.977 7.896 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.887 5.257 8.087 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.042 7.061 9.295 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.736 6.336 10.263 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.494 7.918 9.486 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.891 7.104 6.813 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.333 7.965 6.843 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.476 6.412 5.986 1.00 0.00 H new ATOM 588 N VAL A 42 -5.814 4.390 5.583 1.00 0.00 N ATOM 589 CA VAL A 42 -6.264 4.374 4.202 1.00 0.00 C ATOM 590 C VAL A 42 -7.755 4.714 4.152 1.00 0.00 C ATOM 591 O VAL A 42 -8.580 3.985 4.702 1.00 0.00 O ATOM 592 CB VAL A 42 -5.937 3.024 3.560 1.00 0.00 C ATOM 593 CG1 VAL A 42 -6.870 2.737 2.382 1.00 0.00 C ATOM 594 CG2 VAL A 42 -4.471 2.964 3.126 1.00 0.00 C ATOM 0 H VAL A 42 -6.447 3.938 6.243 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.738 5.131 3.620 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.096 2.249 4.310 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.616 1.772 1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.902 2.717 2.732 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.757 3.518 1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.265 1.994 2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.274 3.753 2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.828 3.102 3.995 1.00 0.00 H new ATOM 604 N GLU A 43 -8.056 5.820 3.488 1.00 0.00 N ATOM 605 CA GLU A 43 -9.433 6.265 3.359 1.00 0.00 C ATOM 606 C GLU A 43 -10.230 5.284 2.497 1.00 0.00 C ATOM 607 O GLU A 43 -9.744 4.822 1.466 1.00 0.00 O ATOM 608 CB GLU A 43 -9.500 7.681 2.782 1.00 0.00 C ATOM 609 CG GLU A 43 -9.183 8.725 3.855 1.00 0.00 C ATOM 610 CD GLU A 43 -10.327 9.732 3.994 1.00 0.00 C ATOM 611 OE1 GLU A 43 -10.460 10.570 3.077 1.00 0.00 O ATOM 612 OE2 GLU A 43 -11.042 9.640 5.015 1.00 0.00 O ATOM 0 H GLU A 43 -7.369 6.422 3.033 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.880 6.291 4.353 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.793 7.775 1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.494 7.864 2.373 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.012 8.229 4.811 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.262 9.248 3.598 1.00 0.00 H new ATOM 619 N PRO A 44 -11.472 4.986 2.964 1.00 0.00 N ATOM 620 CA PRO A 44 -12.341 4.068 2.248 1.00 0.00 C ATOM 621 C PRO A 44 -12.930 4.731 1.001 1.00 0.00 C ATOM 622 O PRO A 44 -12.854 5.949 0.847 1.00 0.00 O ATOM 623 CB PRO A 44 -13.399 3.657 3.259 1.00 0.00 C ATOM 624 CG PRO A 44 -13.358 4.710 4.355 1.00 0.00 C ATOM 625 CD PRO A 44 -12.080 5.514 4.182 1.00 0.00 C ATOM 0 HA PRO A 44 -11.810 3.194 1.871 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.385 3.613 2.797 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.191 2.666 3.662 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.230 5.361 4.292 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.383 4.239 5.338 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.292 6.579 4.089 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.418 5.394 5.039 1.00 0.00 H new ATOM 633 N GLY A 45 -13.504 3.900 0.144 1.00 0.00 N ATOM 634 CA GLY A 45 -14.106 4.390 -1.084 1.00 0.00 C ATOM 635 C GLY A 45 -13.284 5.534 -1.680 1.00 0.00 C ATOM 636 O GLY A 45 -13.832 6.429 -2.322 1.00 0.00 O ATOM 0 H GLY A 45 -13.565 2.890 0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -14.181 3.577 -1.806 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -15.121 4.733 -0.884 1.00 0.00 H new ATOM 640 N SER A 46 -11.981 5.469 -1.444 1.00 0.00 N ATOM 641 CA SER A 46 -11.078 6.489 -1.949 1.00 0.00 C ATOM 642 C SER A 46 -10.276 5.939 -3.131 1.00 0.00 C ATOM 643 O SER A 46 -10.416 4.771 -3.491 1.00 0.00 O ATOM 644 CB SER A 46 -10.133 6.981 -0.851 1.00 0.00 C ATOM 645 OG SER A 46 -8.965 6.171 -0.749 1.00 0.00 O ATOM 0 H SER A 46 -11.530 4.726 -0.910 1.00 0.00 H new ATOM 0 HA SER A 46 -11.674 7.337 -2.285 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.843 8.011 -1.057 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.657 6.983 0.105 1.00 0.00 H new ATOM 0 HG SER A 46 -9.023 5.613 0.055 1.00 0.00 H new ATOM 651 N LEU A 47 -9.454 6.807 -3.702 1.00 0.00 N ATOM 652 CA LEU A 47 -8.631 6.423 -4.836 1.00 0.00 C ATOM 653 C LEU A 47 -7.544 5.453 -4.366 1.00 0.00 C ATOM 654 O LEU A 47 -7.418 4.351 -4.898 1.00 0.00 O ATOM 655 CB LEU A 47 -8.083 7.663 -5.545 1.00 0.00 C ATOM 656 CG LEU A 47 -7.153 7.402 -6.731 1.00 0.00 C ATOM 657 CD1 LEU A 47 -7.606 6.174 -7.524 1.00 0.00 C ATOM 658 CD2 LEU A 47 -7.032 8.643 -7.618 1.00 0.00 C ATOM 0 H LEU A 47 -9.340 7.775 -3.401 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.229 5.897 -5.580 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.926 8.259 -5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.546 8.267 -4.814 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.158 7.186 -6.342 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.928 6.011 -8.361 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.598 5.298 -6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.616 6.337 -7.901 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.365 8.430 -8.453 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.016 8.915 -8.000 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.628 9.470 -7.034 1.00 0.00 H new ATOM 670 N ALA A 48 -6.786 5.899 -3.375 1.00 0.00 N ATOM 671 CA ALA A 48 -5.715 5.085 -2.828 1.00 0.00 C ATOM 672 C ALA A 48 -6.207 3.646 -2.661 1.00 0.00 C ATOM 673 O ALA A 48 -5.680 2.729 -3.289 1.00 0.00 O ATOM 674 CB ALA A 48 -5.234 5.693 -1.509 1.00 0.00 C ATOM 0 H ALA A 48 -6.893 6.814 -2.937 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.863 5.065 -3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.430 5.082 -1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.867 6.704 -1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.062 5.727 -0.801 1.00 0.00 H new ATOM 680 N GLU A 49 -7.212 3.493 -1.811 1.00 0.00 N ATOM 681 CA GLU A 49 -7.782 2.181 -1.554 1.00 0.00 C ATOM 682 C GLU A 49 -8.182 1.510 -2.869 1.00 0.00 C ATOM 683 O GLU A 49 -8.219 0.283 -2.958 1.00 0.00 O ATOM 684 CB GLU A 49 -8.975 2.279 -0.602 1.00 0.00 C ATOM 685 CG GLU A 49 -9.846 1.023 -0.684 1.00 0.00 C ATOM 686 CD GLU A 49 -10.846 1.124 -1.838 1.00 0.00 C ATOM 687 OE1 GLU A 49 -11.358 2.244 -2.049 1.00 0.00 O ATOM 688 OE2 GLU A 49 -11.075 0.077 -2.483 1.00 0.00 O ATOM 0 H GLU A 49 -7.646 4.256 -1.291 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.024 1.565 -1.071 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.620 2.414 0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.572 3.157 -0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.214 0.146 -0.822 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.382 0.886 0.255 1.00 0.00 H new ATOM 695 N LYS A 50 -8.472 2.343 -3.858 1.00 0.00 N ATOM 696 CA LYS A 50 -8.868 1.845 -5.164 1.00 0.00 C ATOM 697 C LYS A 50 -7.629 1.358 -5.917 1.00 0.00 C ATOM 698 O LYS A 50 -7.703 0.404 -6.691 1.00 0.00 O ATOM 699 CB LYS A 50 -9.671 2.905 -5.921 1.00 0.00 C ATOM 700 CG LYS A 50 -9.288 2.929 -7.402 1.00 0.00 C ATOM 701 CD LYS A 50 -10.330 3.687 -8.226 1.00 0.00 C ATOM 702 CE LYS A 50 -11.306 2.721 -8.899 1.00 0.00 C ATOM 703 NZ LYS A 50 -12.547 3.426 -9.291 1.00 0.00 N ATOM 0 H LYS A 50 -8.441 3.360 -3.781 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.534 0.989 -5.059 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.737 2.699 -5.821 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.493 3.886 -5.480 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.312 3.400 -7.521 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.197 1.909 -7.774 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.879 4.374 -7.582 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.830 4.291 -8.983 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.839 2.278 -9.779 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.545 1.903 -8.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.198 2.755 -9.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.000 3.828 -8.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.316 4.191 -9.957 1.00 0.00 H new ATOM 717 N GLU A 51 -6.518 2.035 -5.665 1.00 0.00 N ATOM 718 CA GLU A 51 -5.265 1.683 -6.309 1.00 0.00 C ATOM 719 C GLU A 51 -4.690 0.407 -5.691 1.00 0.00 C ATOM 720 O GLU A 51 -3.802 -0.221 -6.266 1.00 0.00 O ATOM 721 CB GLU A 51 -4.261 2.834 -6.222 1.00 0.00 C ATOM 722 CG GLU A 51 -4.834 4.109 -6.844 1.00 0.00 C ATOM 723 CD GLU A 51 -5.154 3.901 -8.326 1.00 0.00 C ATOM 724 OE1 GLU A 51 -6.282 3.440 -8.604 1.00 0.00 O ATOM 725 OE2 GLU A 51 -4.263 4.208 -9.147 1.00 0.00 O ATOM 0 H GLU A 51 -6.460 2.826 -5.023 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.463 1.495 -7.364 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.003 3.018 -5.179 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.340 2.557 -6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.738 4.403 -6.311 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.119 4.925 -6.734 1.00 0.00 H new ATOM 732 N GLY A 52 -5.220 0.061 -4.527 1.00 0.00 N ATOM 733 CA GLY A 52 -4.770 -1.129 -3.825 1.00 0.00 C ATOM 734 C GLY A 52 -4.112 -0.764 -2.493 1.00 0.00 C ATOM 735 O GLY A 52 -3.968 -1.612 -1.614 1.00 0.00 O ATOM 0 H GLY A 52 -5.956 0.584 -4.053 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.616 -1.792 -3.647 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.061 -1.676 -4.447 1.00 0.00 H new ATOM 739 N LEU A 53 -3.729 0.500 -2.386 1.00 0.00 N ATOM 740 CA LEU A 53 -3.089 0.988 -1.176 1.00 0.00 C ATOM 741 C LEU A 53 -3.790 0.389 0.044 1.00 0.00 C ATOM 742 O LEU A 53 -4.959 0.014 -0.029 1.00 0.00 O ATOM 743 CB LEU A 53 -3.047 2.518 -1.172 1.00 0.00 C ATOM 744 CG LEU A 53 -1.705 3.151 -0.799 1.00 0.00 C ATOM 745 CD1 LEU A 53 -0.740 3.128 -1.986 1.00 0.00 C ATOM 746 CD2 LEU A 53 -1.901 4.564 -0.246 1.00 0.00 C ATOM 0 H LEU A 53 -3.850 1.201 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.049 0.663 -1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.330 2.872 -2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.803 2.881 -0.476 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.254 2.555 -0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.206 3.584 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.567 2.097 -2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.171 3.687 -2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.932 4.992 0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.383 5.186 -1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.527 4.522 0.645 1.00 0.00 H new ATOM 758 N ARG A 54 -3.046 0.317 1.138 1.00 0.00 N ATOM 759 CA ARG A 54 -3.582 -0.230 2.373 1.00 0.00 C ATOM 760 C ARG A 54 -2.543 -0.132 3.492 1.00 0.00 C ATOM 761 O ARG A 54 -1.355 -0.347 3.261 1.00 0.00 O ATOM 762 CB ARG A 54 -3.992 -1.693 2.194 1.00 0.00 C ATOM 763 CG ARG A 54 -5.493 -1.875 2.434 1.00 0.00 C ATOM 764 CD ARG A 54 -5.751 -2.669 3.716 1.00 0.00 C ATOM 765 NE ARG A 54 -6.098 -4.069 3.383 1.00 0.00 N ATOM 766 CZ ARG A 54 -7.140 -4.423 2.619 1.00 0.00 C ATOM 767 NH1 ARG A 54 -7.944 -3.483 2.105 1.00 0.00 N ATOM 768 NH2 ARG A 54 -7.379 -5.718 2.370 1.00 0.00 N ATOM 0 H ARG A 54 -2.076 0.628 1.195 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.464 0.353 2.639 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.738 -2.025 1.187 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.431 -2.319 2.887 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.975 -0.900 2.503 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.941 -2.392 1.585 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.866 -2.646 4.352 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.562 -2.209 4.281 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.507 -4.810 3.759 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.763 -2.497 2.295 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.737 -3.753 1.523 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.768 -6.434 2.762 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.172 -5.988 1.788 1.00 0.00 H new ATOM 782 N VAL A 55 -3.030 0.192 4.681 1.00 0.00 N ATOM 783 CA VAL A 55 -2.159 0.322 5.836 1.00 0.00 C ATOM 784 C VAL A 55 -1.207 -0.875 5.888 1.00 0.00 C ATOM 785 O VAL A 55 -1.635 -2.004 6.121 1.00 0.00 O ATOM 786 CB VAL A 55 -2.995 0.476 7.108 1.00 0.00 C ATOM 787 CG1 VAL A 55 -2.141 0.248 8.357 1.00 0.00 C ATOM 788 CG2 VAL A 55 -3.678 1.844 7.153 1.00 0.00 C ATOM 0 H VAL A 55 -4.017 0.368 4.869 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.548 1.221 5.754 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.774 -0.287 7.091 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.760 0.363 9.247 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.723 -0.759 8.333 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.331 0.977 8.382 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.266 1.927 8.067 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.922 2.629 7.135 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.334 1.952 6.289 1.00 0.00 H new ATOM 798 N GLY A 56 0.068 -0.587 5.668 1.00 0.00 N ATOM 799 CA GLY A 56 1.084 -1.625 5.687 1.00 0.00 C ATOM 800 C GLY A 56 2.070 -1.448 4.530 1.00 0.00 C ATOM 801 O GLY A 56 3.233 -1.834 4.637 1.00 0.00 O ATOM 0 H GLY A 56 0.420 0.351 5.476 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.621 -1.596 6.635 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.610 -2.604 5.619 1.00 0.00 H new ATOM 805 N ASP A 57 1.569 -0.865 3.451 1.00 0.00 N ATOM 806 CA ASP A 57 2.391 -0.632 2.276 1.00 0.00 C ATOM 807 C ASP A 57 3.696 0.046 2.698 1.00 0.00 C ATOM 808 O ASP A 57 3.855 0.428 3.857 1.00 0.00 O ATOM 809 CB ASP A 57 1.681 0.287 1.280 1.00 0.00 C ATOM 810 CG ASP A 57 1.805 1.783 1.579 1.00 0.00 C ATOM 811 OD1 ASP A 57 2.118 2.104 2.746 1.00 0.00 O ATOM 812 OD2 ASP A 57 1.585 2.570 0.633 1.00 0.00 O ATOM 0 H ASP A 57 0.604 -0.547 3.366 1.00 0.00 H new ATOM 0 HA ASP A 57 2.584 -1.595 1.803 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.081 0.096 0.284 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.624 0.023 1.255 1.00 0.00 H new ATOM 817 N GLN A 58 4.597 0.176 1.735 1.00 0.00 N ATOM 818 CA GLN A 58 5.883 0.802 1.993 1.00 0.00 C ATOM 819 C GLN A 58 6.257 1.738 0.842 1.00 0.00 C ATOM 820 O GLN A 58 6.512 1.286 -0.273 1.00 0.00 O ATOM 821 CB GLN A 58 6.969 -0.251 2.219 1.00 0.00 C ATOM 822 CG GLN A 58 8.331 0.407 2.452 1.00 0.00 C ATOM 823 CD GLN A 58 9.348 -0.609 2.976 1.00 0.00 C ATOM 824 OE1 GLN A 58 10.370 -0.063 3.630 1.00 0.00 O flip ATOM 825 NE2 GLN A 58 9.214 -1.808 2.798 1.00 0.00 N flip ATOM 0 H GLN A 58 4.462 -0.141 0.775 1.00 0.00 H new ATOM 0 HA GLN A 58 5.802 1.394 2.905 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.708 -0.869 3.078 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.024 -0.913 1.355 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.693 0.842 1.520 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.227 1.224 3.166 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.405 -2.160 2.287 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.911 -2.458 3.160 1.00 0.00 H new ATOM 834 N ILE A 59 6.278 3.026 1.152 1.00 0.00 N ATOM 835 CA ILE A 59 6.617 4.030 0.158 1.00 0.00 C ATOM 836 C ILE A 59 8.129 4.019 -0.076 1.00 0.00 C ATOM 837 O ILE A 59 8.885 4.601 0.700 1.00 0.00 O ATOM 838 CB ILE A 59 6.068 5.397 0.569 1.00 0.00 C ATOM 839 CG1 ILE A 59 4.606 5.292 1.006 1.00 0.00 C ATOM 840 CG2 ILE A 59 6.260 6.424 -0.549 1.00 0.00 C ATOM 841 CD1 ILE A 59 3.693 5.026 -0.193 1.00 0.00 C ATOM 0 H ILE A 59 6.066 3.397 2.078 1.00 0.00 H new ATOM 0 HA ILE A 59 6.145 3.797 -0.796 1.00 0.00 H new ATOM 0 HB ILE A 59 6.637 5.748 1.430 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.497 4.489 1.735 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.303 6.215 1.500 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.861 7.387 -0.231 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.322 6.527 -0.770 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.734 6.091 -1.443 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.659 4.956 0.145 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.786 5.842 -0.909 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.983 4.090 -0.670 1.00 0.00 H new ATOM 853 N LEU A 60 8.525 3.351 -1.150 1.00 0.00 N ATOM 854 CA LEU A 60 9.933 3.257 -1.496 1.00 0.00 C ATOM 855 C LEU A 60 10.364 4.538 -2.213 1.00 0.00 C ATOM 856 O LEU A 60 11.424 5.090 -1.921 1.00 0.00 O ATOM 857 CB LEU A 60 10.203 1.982 -2.298 1.00 0.00 C ATOM 858 CG LEU A 60 9.585 0.697 -1.744 1.00 0.00 C ATOM 859 CD1 LEU A 60 9.649 -0.431 -2.775 1.00 0.00 C ATOM 860 CD2 LEU A 60 10.240 0.300 -0.419 1.00 0.00 C ATOM 0 H LEU A 60 7.895 2.870 -1.792 1.00 0.00 H new ATOM 0 HA LEU A 60 10.542 3.175 -0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.835 2.130 -3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.282 1.842 -2.368 1.00 0.00 H new ATOM 0 HG LEU A 60 8.531 0.886 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.203 -1.333 -2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.101 -0.137 -3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.689 -0.628 -3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.782 -0.617 -0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.306 0.136 -0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.099 1.098 0.310 1.00 0.00 H new ATOM 872 N ARG A 61 9.520 4.973 -3.137 1.00 0.00 N ATOM 873 CA ARG A 61 9.801 6.179 -3.898 1.00 0.00 C ATOM 874 C ARG A 61 8.560 7.072 -3.953 1.00 0.00 C ATOM 875 O ARG A 61 7.457 6.629 -3.637 1.00 0.00 O ATOM 876 CB ARG A 61 10.241 5.840 -5.324 1.00 0.00 C ATOM 877 CG ARG A 61 11.748 5.582 -5.386 1.00 0.00 C ATOM 878 CD ARG A 61 12.118 4.799 -6.647 1.00 0.00 C ATOM 879 NE ARG A 61 13.588 4.650 -6.737 1.00 0.00 N ATOM 880 CZ ARG A 61 14.211 3.873 -7.633 1.00 0.00 C ATOM 881 NH1 ARG A 61 13.496 3.168 -8.521 1.00 0.00 N ATOM 882 NH2 ARG A 61 15.549 3.799 -7.641 1.00 0.00 N ATOM 0 H ARG A 61 8.642 4.512 -3.376 1.00 0.00 H new ATOM 0 HA ARG A 61 10.611 6.707 -3.396 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.703 4.959 -5.675 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.981 6.660 -5.993 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.284 6.531 -5.372 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.062 5.026 -4.503 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.645 3.817 -6.627 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.742 5.316 -7.530 1.00 0.00 H new ATOM 0 HE ARG A 61 14.163 5.172 -6.075 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.478 3.223 -8.515 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.970 2.576 -9.203 1.00 0.00 H new ATOM 0 HH21 ARG A 61 16.093 4.334 -6.965 1.00 0.00 H new ATOM 0 HH22 ARG A 61 16.023 3.207 -8.323 1.00 0.00 H new ATOM 896 N VAL A 62 8.782 8.314 -4.357 1.00 0.00 N ATOM 897 CA VAL A 62 7.696 9.274 -4.458 1.00 0.00 C ATOM 898 C VAL A 62 7.929 10.177 -5.671 1.00 0.00 C ATOM 899 O VAL A 62 8.921 10.903 -5.728 1.00 0.00 O ATOM 900 CB VAL A 62 7.565 10.055 -3.148 1.00 0.00 C ATOM 901 CG1 VAL A 62 8.742 11.014 -2.962 1.00 0.00 C ATOM 902 CG2 VAL A 62 6.232 10.804 -3.088 1.00 0.00 C ATOM 0 H VAL A 62 9.698 8.678 -4.618 1.00 0.00 H new ATOM 0 HA VAL A 62 6.747 8.761 -4.613 1.00 0.00 H new ATOM 0 HB VAL A 62 7.584 9.339 -2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.625 11.557 -2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.673 10.447 -2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.768 11.722 -3.790 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.164 11.351 -2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.171 11.505 -3.920 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.411 10.091 -3.153 1.00 0.00 H new ATOM 912 N ASN A 63 6.999 10.102 -6.612 1.00 0.00 N ATOM 913 CA ASN A 63 7.091 10.903 -7.820 1.00 0.00 C ATOM 914 C ASN A 63 8.225 10.367 -8.697 1.00 0.00 C ATOM 915 O ASN A 63 7.994 9.944 -9.828 1.00 0.00 O ATOM 916 CB ASN A 63 7.399 12.365 -7.490 1.00 0.00 C ATOM 917 CG ASN A 63 7.135 13.267 -8.698 1.00 0.00 C ATOM 918 OD1 ASN A 63 7.898 13.314 -9.648 1.00 0.00 O ATOM 919 ND2 ASN A 63 6.014 13.978 -8.607 1.00 0.00 N ATOM 0 H ASN A 63 6.178 9.499 -6.562 1.00 0.00 H new ATOM 0 HA ASN A 63 6.133 10.844 -8.337 1.00 0.00 H new ATOM 0 HB2 ASN A 63 6.786 12.689 -6.649 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.440 12.460 -7.181 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.749 14.611 -9.362 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.420 13.890 -7.782 1.00 0.00 H new ATOM 926 N ASP A 64 9.427 10.403 -8.141 1.00 0.00 N ATOM 927 CA ASP A 64 10.598 9.927 -8.858 1.00 0.00 C ATOM 928 C ASP A 64 11.735 9.681 -7.863 1.00 0.00 C ATOM 929 O ASP A 64 12.406 8.652 -7.924 1.00 0.00 O ATOM 930 CB ASP A 64 11.078 10.962 -9.878 1.00 0.00 C ATOM 931 CG ASP A 64 11.756 10.379 -11.119 1.00 0.00 C ATOM 932 OD1 ASP A 64 12.915 9.932 -10.976 1.00 0.00 O ATOM 933 OD2 ASP A 64 11.101 10.394 -12.183 1.00 0.00 O ATOM 0 H ASP A 64 9.615 10.754 -7.202 1.00 0.00 H new ATOM 0 HA ASP A 64 10.325 9.008 -9.377 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.224 11.560 -10.196 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.776 11.639 -9.385 1.00 0.00 H new ATOM 938 N LYS A 65 11.915 10.643 -6.970 1.00 0.00 N ATOM 939 CA LYS A 65 12.959 10.544 -5.964 1.00 0.00 C ATOM 940 C LYS A 65 12.601 9.435 -4.972 1.00 0.00 C ATOM 941 O LYS A 65 11.433 9.077 -4.830 1.00 0.00 O ATOM 942 CB LYS A 65 13.199 11.904 -5.306 1.00 0.00 C ATOM 943 CG LYS A 65 14.634 12.015 -4.784 1.00 0.00 C ATOM 944 CD LYS A 65 15.022 13.477 -4.554 1.00 0.00 C ATOM 945 CE LYS A 65 16.365 13.797 -5.214 1.00 0.00 C ATOM 946 NZ LYS A 65 16.158 14.321 -6.583 1.00 0.00 N ATOM 0 H LYS A 65 11.356 11.495 -6.922 1.00 0.00 H new ATOM 0 HA LYS A 65 13.907 10.267 -6.424 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.008 12.699 -6.026 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.497 12.043 -4.484 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.730 11.459 -3.852 1.00 0.00 H new ATOM 0 HG3 LYS A 65 15.321 11.561 -5.498 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.249 14.130 -4.958 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.081 13.678 -3.484 1.00 0.00 H new ATOM 0 HE2 LYS A 65 16.906 14.530 -4.615 1.00 0.00 H new ATOM 0 HE3 LYS A 65 16.982 12.899 -5.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.079 14.533 -7.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.661 13.609 -7.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.588 15.190 -6.540 1.00 0.00 H new ATOM 960 N SER A 66 13.629 8.922 -4.312 1.00 0.00 N ATOM 961 CA SER A 66 13.438 7.861 -3.337 1.00 0.00 C ATOM 962 C SER A 66 13.507 8.434 -1.920 1.00 0.00 C ATOM 963 O SER A 66 14.217 9.408 -1.674 1.00 0.00 O ATOM 964 CB SER A 66 14.480 6.756 -3.515 1.00 0.00 C ATOM 965 OG SER A 66 15.611 6.947 -2.668 1.00 0.00 O ATOM 0 H SER A 66 14.597 9.221 -4.433 1.00 0.00 H new ATOM 0 HA SER A 66 12.453 7.423 -3.497 1.00 0.00 H new ATOM 0 HB2 SER A 66 14.024 5.790 -3.299 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.806 6.729 -4.555 1.00 0.00 H new ATOM 0 HG SER A 66 16.253 6.220 -2.810 1.00 0.00 H new ATOM 971 N LEU A 67 12.761 7.804 -1.024 1.00 0.00 N ATOM 972 CA LEU A 67 12.729 8.239 0.362 1.00 0.00 C ATOM 973 C LEU A 67 13.754 7.437 1.167 1.00 0.00 C ATOM 974 O LEU A 67 13.464 6.986 2.273 1.00 0.00 O ATOM 975 CB LEU A 67 11.306 8.152 0.918 1.00 0.00 C ATOM 976 CG LEU A 67 10.216 8.823 0.080 1.00 0.00 C ATOM 977 CD1 LEU A 67 8.836 8.261 0.424 1.00 0.00 C ATOM 978 CD2 LEU A 67 10.269 10.345 0.229 1.00 0.00 C ATOM 0 H LEU A 67 12.174 6.996 -1.231 1.00 0.00 H new ATOM 0 HA LEU A 67 13.013 9.289 0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.048 7.100 1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.298 8.598 1.913 1.00 0.00 H new ATOM 0 HG LEU A 67 10.403 8.596 -0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.080 8.755 -0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.820 7.189 0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.624 8.437 1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.484 10.797 -0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.121 10.614 1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.240 10.710 -0.105 1.00 0.00 H new ATOM 990 N ALA A 68 14.932 7.284 0.579 1.00 0.00 N ATOM 991 CA ALA A 68 16.001 6.545 1.228 1.00 0.00 C ATOM 992 C ALA A 68 16.257 7.139 2.614 1.00 0.00 C ATOM 993 O ALA A 68 16.984 8.122 2.748 1.00 0.00 O ATOM 994 CB ALA A 68 17.249 6.570 0.343 1.00 0.00 C ATOM 0 H ALA A 68 15.169 7.659 -0.339 1.00 0.00 H new ATOM 0 HA ALA A 68 15.719 5.501 1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 68 18.051 6.016 0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.022 6.111 -0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 68 17.564 7.602 0.187 1.00 0.00 H new ATOM 1000 N ARG A 69 15.647 6.516 3.612 1.00 0.00 N ATOM 1001 CA ARG A 69 15.800 6.970 4.983 1.00 0.00 C ATOM 1002 C ARG A 69 15.718 8.497 5.049 1.00 0.00 C ATOM 1003 O ARG A 69 16.740 9.179 5.003 1.00 0.00 O ATOM 1004 CB ARG A 69 17.137 6.512 5.569 1.00 0.00 C ATOM 1005 CG ARG A 69 16.963 5.245 6.408 1.00 0.00 C ATOM 1006 CD ARG A 69 18.282 4.839 7.068 1.00 0.00 C ATOM 1007 NE ARG A 69 18.543 3.400 6.836 1.00 0.00 N ATOM 1008 CZ ARG A 69 19.655 2.765 7.230 1.00 0.00 C ATOM 1009 NH1 ARG A 69 20.616 3.437 7.877 1.00 0.00 N ATOM 1010 NH2 ARG A 69 19.805 1.458 6.975 1.00 0.00 N ATOM 0 H ARG A 69 15.046 5.700 3.498 1.00 0.00 H new ATOM 0 HA ARG A 69 14.991 6.534 5.569 1.00 0.00 H new ATOM 0 HB2 ARG A 69 17.846 6.324 4.763 1.00 0.00 H new ATOM 0 HB3 ARG A 69 17.559 7.306 6.186 1.00 0.00 H new ATOM 0 HG2 ARG A 69 16.206 5.413 7.174 1.00 0.00 H new ATOM 0 HG3 ARG A 69 16.603 4.433 5.776 1.00 0.00 H new ATOM 0 HD2 ARG A 69 19.100 5.435 6.663 1.00 0.00 H new ATOM 0 HD3 ARG A 69 18.240 5.041 8.138 1.00 0.00 H new ATOM 0 HE ARG A 69 17.832 2.858 6.345 1.00 0.00 H new ATOM 0 HH11 ARG A 69 20.501 4.432 8.070 1.00 0.00 H new ATOM 0 HH12 ARG A 69 21.463 2.954 8.177 1.00 0.00 H new ATOM 0 HH21 ARG A 69 19.073 0.947 6.481 1.00 0.00 H new ATOM 0 HH22 ARG A 69 20.651 0.974 7.275 1.00 0.00 H new ATOM 1024 N VAL A 70 14.492 8.987 5.156 1.00 0.00 N ATOM 1025 CA VAL A 70 14.263 10.420 5.228 1.00 0.00 C ATOM 1026 C VAL A 70 13.199 10.710 6.290 1.00 0.00 C ATOM 1027 O VAL A 70 12.184 10.019 6.360 1.00 0.00 O ATOM 1028 CB VAL A 70 13.891 10.962 3.846 1.00 0.00 C ATOM 1029 CG1 VAL A 70 14.945 10.577 2.805 1.00 0.00 C ATOM 1030 CG2 VAL A 70 12.502 10.480 3.425 1.00 0.00 C ATOM 0 H VAL A 70 13.647 8.417 5.195 1.00 0.00 H new ATOM 0 HA VAL A 70 15.174 10.937 5.530 1.00 0.00 H new ATOM 0 HB VAL A 70 13.863 12.050 3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.657 10.974 1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 70 15.911 10.991 3.095 1.00 0.00 H new ATOM 0 HG13 VAL A 70 15.019 9.491 2.746 1.00 0.00 H new ATOM 0 HG21 VAL A 70 12.262 10.879 2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.491 9.391 3.388 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.762 10.826 4.147 1.00 0.00 H new ATOM 1040 N THR A 71 13.469 11.732 7.089 1.00 0.00 N ATOM 1041 CA THR A 71 12.548 12.121 8.143 1.00 0.00 C ATOM 1042 C THR A 71 11.121 12.208 7.598 1.00 0.00 C ATOM 1043 O THR A 71 10.920 12.391 6.398 1.00 0.00 O ATOM 1044 CB THR A 71 13.049 13.434 8.748 1.00 0.00 C ATOM 1045 OG1 THR A 71 13.138 14.318 7.634 1.00 0.00 O ATOM 1046 CG2 THR A 71 14.488 13.331 9.258 1.00 0.00 C ATOM 0 H THR A 71 14.312 12.302 7.027 1.00 0.00 H new ATOM 0 HA THR A 71 12.515 11.373 8.936 1.00 0.00 H new ATOM 0 HB THR A 71 12.394 13.730 9.567 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.454 15.195 7.937 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.795 14.289 9.677 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.547 12.562 10.028 1.00 0.00 H new ATOM 0 HG23 THR A 71 15.149 13.068 8.432 1.00 0.00 H new ATOM 1054 N HIS A 72 10.166 12.074 8.507 1.00 0.00 N ATOM 1055 CA HIS A 72 8.763 12.136 8.133 1.00 0.00 C ATOM 1056 C HIS A 72 8.477 13.463 7.429 1.00 0.00 C ATOM 1057 O HIS A 72 7.609 13.536 6.560 1.00 0.00 O ATOM 1058 CB HIS A 72 7.865 11.905 9.350 1.00 0.00 C ATOM 1059 CG HIS A 72 6.462 11.469 9.005 1.00 0.00 C ATOM 1060 ND1 HIS A 72 5.337 12.156 9.429 1.00 0.00 N ATOM 1061 CD2 HIS A 72 6.012 10.411 8.270 1.00 0.00 C ATOM 1062 CE1 HIS A 72 4.265 11.530 8.967 1.00 0.00 C ATOM 1063 NE2 HIS A 72 4.686 10.448 8.249 1.00 0.00 N ATOM 0 H HIS A 72 10.336 11.923 9.501 1.00 0.00 H new ATOM 0 HA HIS A 72 8.536 11.335 7.429 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.323 11.149 9.988 1.00 0.00 H new ATOM 0 HB3 HIS A 72 7.816 12.825 9.932 1.00 0.00 H new ATOM 0 HD1 HIS A 72 5.334 13.001 10.000 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.631 9.669 7.787 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.239 11.824 9.130 1.00 0.00 H new ATOM 1071 N ALA A 73 9.225 14.482 7.829 1.00 0.00 N ATOM 1072 CA ALA A 73 9.063 15.803 7.248 1.00 0.00 C ATOM 1073 C ALA A 73 9.590 15.792 5.812 1.00 0.00 C ATOM 1074 O ALA A 73 9.074 16.503 4.951 1.00 0.00 O ATOM 1075 CB ALA A 73 9.775 16.837 8.122 1.00 0.00 C ATOM 0 H ALA A 73 9.945 14.418 8.549 1.00 0.00 H new ATOM 0 HA ALA A 73 8.009 16.079 7.211 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.653 17.828 7.685 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.344 16.826 9.123 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.836 16.595 8.181 1.00 0.00 H new ATOM 1081 N GLU A 74 10.612 14.976 5.597 1.00 0.00 N ATOM 1082 CA GLU A 74 11.216 14.863 4.280 1.00 0.00 C ATOM 1083 C GLU A 74 10.232 14.220 3.300 1.00 0.00 C ATOM 1084 O GLU A 74 9.835 14.842 2.316 1.00 0.00 O ATOM 1085 CB GLU A 74 12.524 14.072 4.342 1.00 0.00 C ATOM 1086 CG GLU A 74 13.703 14.989 4.674 1.00 0.00 C ATOM 1087 CD GLU A 74 13.962 15.982 3.539 1.00 0.00 C ATOM 1088 OE1 GLU A 74 14.303 15.505 2.435 1.00 0.00 O ATOM 1089 OE2 GLU A 74 13.813 17.195 3.801 1.00 0.00 O ATOM 0 H GLU A 74 11.037 14.387 6.313 1.00 0.00 H new ATOM 0 HA GLU A 74 11.453 15.865 3.923 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.444 13.289 5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.700 13.578 3.386 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.498 15.532 5.597 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.597 14.390 4.849 1.00 0.00 H new ATOM 1096 N ALA A 75 9.869 12.982 3.602 1.00 0.00 N ATOM 1097 CA ALA A 75 8.940 12.248 2.760 1.00 0.00 C ATOM 1098 C ALA A 75 7.765 13.155 2.392 1.00 0.00 C ATOM 1099 O ALA A 75 7.357 13.211 1.233 1.00 0.00 O ATOM 1100 CB ALA A 75 8.491 10.976 3.482 1.00 0.00 C ATOM 0 H ALA A 75 10.202 12.469 4.418 1.00 0.00 H new ATOM 0 HA ALA A 75 9.423 11.943 1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.794 10.426 2.850 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.359 10.352 3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.999 11.243 4.417 1.00 0.00 H new ATOM 1106 N VAL A 76 7.253 13.845 3.401 1.00 0.00 N ATOM 1107 CA VAL A 76 6.133 14.748 3.199 1.00 0.00 C ATOM 1108 C VAL A 76 6.507 15.789 2.143 1.00 0.00 C ATOM 1109 O VAL A 76 5.784 15.973 1.164 1.00 0.00 O ATOM 1110 CB VAL A 76 5.716 15.372 4.532 1.00 0.00 C ATOM 1111 CG1 VAL A 76 4.572 16.369 4.337 1.00 0.00 C ATOM 1112 CG2 VAL A 76 5.336 14.292 5.548 1.00 0.00 C ATOM 0 H VAL A 76 7.594 13.797 4.361 1.00 0.00 H new ATOM 0 HA VAL A 76 5.266 14.203 2.826 1.00 0.00 H new ATOM 0 HB VAL A 76 6.572 15.918 4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.295 16.798 5.300 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.893 17.164 3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.712 15.856 3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.044 14.762 6.487 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.503 13.705 5.161 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.191 13.638 5.721 1.00 0.00 H new ATOM 1122 N LYS A 77 7.635 16.443 2.376 1.00 0.00 N ATOM 1123 CA LYS A 77 8.114 17.462 1.456 1.00 0.00 C ATOM 1124 C LYS A 77 8.219 16.865 0.051 1.00 0.00 C ATOM 1125 O LYS A 77 8.227 17.596 -0.938 1.00 0.00 O ATOM 1126 CB LYS A 77 9.422 18.071 1.965 1.00 0.00 C ATOM 1127 CG LYS A 77 9.149 19.187 2.976 1.00 0.00 C ATOM 1128 CD LYS A 77 10.404 20.030 3.213 1.00 0.00 C ATOM 1129 CE LYS A 77 10.139 21.130 4.243 1.00 0.00 C ATOM 1130 NZ LYS A 77 11.405 21.561 4.878 1.00 0.00 N ATOM 0 H LYS A 77 8.232 16.288 3.188 1.00 0.00 H new ATOM 0 HA LYS A 77 7.405 18.288 1.400 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.032 17.296 2.429 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.994 18.467 1.126 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.342 19.823 2.612 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.813 18.755 3.919 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.216 19.391 3.559 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.729 20.477 2.274 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.659 21.981 3.760 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.449 20.765 5.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.207 22.308 5.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.847 20.750 5.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.051 21.928 4.150 1.00 0.00 H new ATOM 1144 N ALA A 78 8.298 15.543 0.009 1.00 0.00 N ATOM 1145 CA ALA A 78 8.402 14.840 -1.258 1.00 0.00 C ATOM 1146 C ALA A 78 6.999 14.586 -1.814 1.00 0.00 C ATOM 1147 O ALA A 78 6.731 14.861 -2.982 1.00 0.00 O ATOM 1148 CB ALA A 78 9.194 13.546 -1.061 1.00 0.00 C ATOM 0 H ALA A 78 8.292 14.940 0.832 1.00 0.00 H new ATOM 0 HA ALA A 78 8.941 15.444 -1.988 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.272 13.019 -2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.193 13.783 -0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.682 12.913 -0.336 1.00 0.00 H new ATOM 1154 N LEU A 79 6.141 14.066 -0.949 1.00 0.00 N ATOM 1155 CA LEU A 79 4.772 13.772 -1.338 1.00 0.00 C ATOM 1156 C LEU A 79 4.094 15.059 -1.813 1.00 0.00 C ATOM 1157 O LEU A 79 3.777 15.199 -2.993 1.00 0.00 O ATOM 1158 CB LEU A 79 4.030 13.070 -0.199 1.00 0.00 C ATOM 1159 CG LEU A 79 4.344 11.584 -0.009 1.00 0.00 C ATOM 1160 CD1 LEU A 79 4.266 11.192 1.467 1.00 0.00 C ATOM 1161 CD2 LEU A 79 3.436 10.716 -0.882 1.00 0.00 C ATOM 0 H LEU A 79 6.367 13.841 0.020 1.00 0.00 H new ATOM 0 HA LEU A 79 4.755 13.074 -2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.257 13.591 0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.959 13.176 -0.370 1.00 0.00 H new ATOM 0 HG LEU A 79 5.369 11.407 -0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.493 10.131 1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.987 11.777 2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.262 11.388 1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.680 9.665 -0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.395 10.891 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.585 10.973 -1.931 1.00 0.00 H new ATOM 1257 N LEU A 85 1.115 12.540 -9.195 1.00 0.00 N ATOM 1258 CA LEU A 85 2.117 11.974 -8.308 1.00 0.00 C ATOM 1259 C LEU A 85 2.104 10.450 -8.436 1.00 0.00 C ATOM 1260 O LEU A 85 1.039 9.836 -8.481 1.00 0.00 O ATOM 1261 CB LEU A 85 1.908 12.473 -6.876 1.00 0.00 C ATOM 1262 CG LEU A 85 2.785 11.822 -5.804 1.00 0.00 C ATOM 1263 CD1 LEU A 85 4.268 11.949 -6.158 1.00 0.00 C ATOM 1264 CD2 LEU A 85 2.474 12.394 -4.420 1.00 0.00 C ATOM 0 HA LEU A 85 3.113 12.309 -8.596 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.085 13.548 -6.858 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.863 12.317 -6.607 1.00 0.00 H new ATOM 0 HG LEU A 85 2.552 10.758 -5.771 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.869 11.478 -5.380 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.458 11.456 -7.112 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.535 13.003 -6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.111 11.914 -3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.661 13.468 -4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.428 12.208 -4.176 1.00 0.00 H new ATOM 1276 N VAL A 86 3.300 9.882 -8.492 1.00 0.00 N ATOM 1277 CA VAL A 86 3.439 8.441 -8.614 1.00 0.00 C ATOM 1278 C VAL A 86 3.968 7.870 -7.297 1.00 0.00 C ATOM 1279 O VAL A 86 5.144 8.030 -6.975 1.00 0.00 O ATOM 1280 CB VAL A 86 4.328 8.101 -9.812 1.00 0.00 C ATOM 1281 CG1 VAL A 86 4.861 6.670 -9.711 1.00 0.00 C ATOM 1282 CG2 VAL A 86 3.579 8.315 -11.129 1.00 0.00 C ATOM 0 H VAL A 86 4.181 10.394 -8.455 1.00 0.00 H new ATOM 0 HA VAL A 86 2.470 7.979 -8.803 1.00 0.00 H new ATOM 0 HB VAL A 86 5.182 8.778 -9.798 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.490 6.454 -10.575 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.448 6.564 -8.799 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.025 5.971 -9.687 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.233 8.066 -11.964 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.698 7.674 -11.155 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.271 9.358 -11.207 1.00 0.00 H new ATOM 1292 N LEU A 87 3.073 7.217 -6.570 1.00 0.00 N ATOM 1293 CA LEU A 87 3.435 6.622 -5.295 1.00 0.00 C ATOM 1294 C LEU A 87 4.051 5.242 -5.538 1.00 0.00 C ATOM 1295 O LEU A 87 3.402 4.358 -6.093 1.00 0.00 O ATOM 1296 CB LEU A 87 2.229 6.600 -4.353 1.00 0.00 C ATOM 1297 CG LEU A 87 1.548 7.947 -4.104 1.00 0.00 C ATOM 1298 CD1 LEU A 87 2.516 8.940 -3.459 1.00 0.00 C ATOM 1299 CD2 LEU A 87 0.936 8.498 -5.394 1.00 0.00 C ATOM 0 H LEU A 87 2.098 7.087 -6.840 1.00 0.00 H new ATOM 0 HA LEU A 87 4.191 7.226 -4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.489 5.911 -4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.550 6.195 -3.393 1.00 0.00 H new ATOM 0 HG LEU A 87 0.730 7.792 -3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.006 9.889 -3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.863 8.543 -2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.369 9.097 -4.119 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.458 9.456 -5.190 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.720 8.635 -6.139 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.194 7.796 -5.773 1.00 0.00 H new ATOM 1311 N SER A 88 5.296 5.102 -5.108 1.00 0.00 N ATOM 1312 CA SER A 88 6.007 3.846 -5.272 1.00 0.00 C ATOM 1313 C SER A 88 5.851 2.989 -4.014 1.00 0.00 C ATOM 1314 O SER A 88 6.398 3.318 -2.962 1.00 0.00 O ATOM 1315 CB SER A 88 7.489 4.086 -5.570 1.00 0.00 C ATOM 1316 OG SER A 88 7.735 4.236 -6.966 1.00 0.00 O ATOM 0 H SER A 88 5.831 5.838 -4.646 1.00 0.00 H new ATOM 0 HA SER A 88 5.575 3.317 -6.121 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.824 4.980 -5.045 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.076 3.252 -5.186 1.00 0.00 H new ATOM 0 HG SER A 88 8.567 3.776 -7.203 1.00 0.00 H new ATOM 1322 N VAL A 89 5.103 1.906 -4.164 1.00 0.00 N ATOM 1323 CA VAL A 89 4.869 0.999 -3.053 1.00 0.00 C ATOM 1324 C VAL A 89 5.253 -0.422 -3.470 1.00 0.00 C ATOM 1325 O VAL A 89 5.088 -0.798 -4.629 1.00 0.00 O ATOM 1326 CB VAL A 89 3.417 1.112 -2.582 1.00 0.00 C ATOM 1327 CG1 VAL A 89 3.283 2.144 -1.460 1.00 0.00 C ATOM 1328 CG2 VAL A 89 2.487 1.448 -3.750 1.00 0.00 C ATOM 0 H VAL A 89 4.651 1.636 -5.038 1.00 0.00 H new ATOM 0 HA VAL A 89 5.495 1.268 -2.202 1.00 0.00 H new ATOM 0 HB VAL A 89 3.118 0.143 -2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.242 2.205 -1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.902 1.845 -0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.610 3.119 -1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.461 1.523 -3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.786 2.399 -4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.550 0.662 -4.503 1.00 0.00 H new ATOM 1338 N TYR A 90 5.758 -1.173 -2.502 1.00 0.00 N ATOM 1339 CA TYR A 90 6.167 -2.544 -2.754 1.00 0.00 C ATOM 1340 C TYR A 90 5.084 -3.529 -2.310 1.00 0.00 C ATOM 1341 O TYR A 90 4.690 -3.541 -1.145 1.00 0.00 O ATOM 1342 CB TYR A 90 7.423 -2.771 -1.911 1.00 0.00 C ATOM 1343 CG TYR A 90 7.658 -4.233 -1.527 1.00 0.00 C ATOM 1344 CD1 TYR A 90 7.888 -5.176 -2.508 1.00 0.00 C ATOM 1345 CD2 TYR A 90 7.640 -4.609 -0.199 1.00 0.00 C ATOM 1346 CE1 TYR A 90 8.109 -6.553 -2.146 1.00 0.00 C ATOM 1347 CE2 TYR A 90 7.862 -5.985 0.163 1.00 0.00 C ATOM 1348 CZ TYR A 90 8.085 -6.889 -0.829 1.00 0.00 C ATOM 1349 OH TYR A 90 8.294 -8.189 -0.487 1.00 0.00 O ATOM 0 H TYR A 90 5.893 -0.857 -1.541 1.00 0.00 H new ATOM 0 HA TYR A 90 6.343 -2.703 -3.818 1.00 0.00 H new ATOM 0 HB2 TYR A 90 8.290 -2.407 -2.463 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.351 -2.174 -1.002 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.902 -4.882 -3.547 1.00 0.00 H new ATOM 0 HD2 TYR A 90 7.459 -3.871 0.569 1.00 0.00 H new ATOM 0 HE1 TYR A 90 8.290 -7.301 -2.904 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.852 -6.292 1.198 1.00 0.00 H new ATOM 0 HH TYR A 90 8.250 -8.282 0.488 1.00 0.00 H new ATOM 1359 N SER A 91 4.633 -4.333 -3.263 1.00 0.00 N ATOM 1360 CA SER A 91 3.604 -5.320 -2.984 1.00 0.00 C ATOM 1361 C SER A 91 4.239 -6.697 -2.786 1.00 0.00 C ATOM 1362 O SER A 91 5.337 -6.955 -3.277 1.00 0.00 O ATOM 1363 CB SER A 91 2.570 -5.370 -4.111 1.00 0.00 C ATOM 1364 OG SER A 91 1.540 -6.319 -3.849 1.00 0.00 O ATOM 0 H SER A 91 4.962 -4.321 -4.229 1.00 0.00 H new ATOM 0 HA SER A 91 3.090 -5.029 -2.068 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.128 -4.382 -4.242 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.067 -5.623 -5.048 1.00 0.00 H new ATOM 0 HG SER A 91 0.899 -6.319 -4.591 1.00 0.00 H new