USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 467 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 32 TYR OH : rot 180:sc= 0.222 USER MOD Set 1.2: A 35 LYS NZ :NH3+ -132:sc= 0.33 (180deg=-0.111) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 130:sc= -0.929 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot -70:sc= 1.23 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -130:sc= 0.0014 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.358 K(o=-0.36,f=-3.4!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A 69 THR OG1 : rot -43:sc= 0.189! USER MOD Single : A 76 GLN : amide:sc= -0.55 X(o=-0.55,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.713 8.216 -6.931 1.00 0.00 N ATOM 21 CA VAL A 2 -7.753 7.743 -5.892 1.00 0.00 C ATOM 22 C VAL A 2 -6.643 6.913 -6.543 1.00 0.00 C ATOM 23 O VAL A 2 -6.882 6.152 -7.460 1.00 0.00 O ATOM 24 CB VAL A 2 -8.586 6.879 -4.946 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.687 6.323 -3.840 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.694 7.731 -4.322 1.00 0.00 C ATOM 0 HA VAL A 2 -7.269 8.567 -5.368 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.031 6.054 -5.502 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.280 5.707 -3.165 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.896 5.718 -4.284 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.243 7.148 -3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.289 7.116 -3.647 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.249 8.555 -3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.334 8.129 -5.109 1.00 0.00 H new ATOM 36 N LYS A 3 -5.430 7.059 -6.085 1.00 0.00 N ATOM 37 CA LYS A 3 -4.307 6.282 -6.688 1.00 0.00 C ATOM 38 C LYS A 3 -3.379 5.749 -5.592 1.00 0.00 C ATOM 39 O LYS A 3 -2.954 6.481 -4.720 1.00 0.00 O ATOM 40 CB LYS A 3 -3.557 7.288 -7.565 1.00 0.00 C ATOM 41 CG LYS A 3 -4.437 7.714 -8.743 1.00 0.00 C ATOM 42 CD LYS A 3 -4.434 6.616 -9.807 1.00 0.00 C ATOM 43 CE LYS A 3 -3.224 6.798 -10.724 1.00 0.00 C ATOM 44 NZ LYS A 3 -3.728 7.606 -11.869 1.00 0.00 N ATOM 0 H LYS A 3 -5.167 7.681 -5.321 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.663 5.422 -7.255 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.278 8.161 -6.975 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.632 6.844 -7.933 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.455 7.901 -8.401 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.067 8.647 -9.168 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.400 5.635 -9.333 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.354 6.657 -10.389 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.411 7.308 -10.208 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.835 5.837 -11.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.954 7.773 -12.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -4.497 7.092 -12.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.086 8.518 -11.520 1.00 0.00 H new ATOM 58 N ILE A 4 -3.048 4.485 -5.633 1.00 0.00 N ATOM 59 CA ILE A 4 -2.136 3.926 -4.600 1.00 0.00 C ATOM 60 C ILE A 4 -0.731 3.765 -5.190 1.00 0.00 C ATOM 61 O ILE A 4 -0.559 3.205 -6.254 1.00 0.00 O ATOM 62 CB ILE A 4 -2.736 2.583 -4.199 1.00 0.00 C ATOM 63 CG1 ILE A 4 -4.053 2.817 -3.463 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.770 1.834 -3.278 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.753 1.479 -3.254 1.00 0.00 C ATOM 0 H ILE A 4 -3.370 3.820 -6.336 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.040 4.576 -3.730 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.913 1.988 -5.095 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.867 3.298 -2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.690 3.489 -4.038 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.206 0.876 -2.996 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.828 1.665 -3.799 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.588 2.427 -2.382 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.695 1.639 -2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.951 1.017 -4.221 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.115 0.823 -2.662 1.00 0.00 H new ATOM 77 N ARG A 5 0.274 4.262 -4.518 1.00 0.00 N ATOM 78 CA ARG A 5 1.653 4.140 -5.062 1.00 0.00 C ATOM 79 C ARG A 5 2.691 4.112 -3.939 1.00 0.00 C ATOM 80 O ARG A 5 2.363 3.942 -2.788 1.00 0.00 O ATOM 81 CB ARG A 5 1.846 5.363 -5.959 1.00 0.00 C ATOM 82 CG ARG A 5 1.813 6.638 -5.116 1.00 0.00 C ATOM 83 CD ARG A 5 2.321 7.811 -5.957 1.00 0.00 C ATOM 84 NE ARG A 5 2.287 8.991 -5.046 1.00 0.00 N ATOM 85 CZ ARG A 5 2.977 10.073 -5.325 1.00 0.00 C ATOM 86 NH1 ARG A 5 3.710 10.143 -6.410 1.00 0.00 N ATOM 87 NH2 ARG A 5 2.933 11.092 -4.512 1.00 0.00 N ATOM 0 H ARG A 5 0.198 4.744 -3.622 1.00 0.00 H new ATOM 0 HA ARG A 5 1.785 3.210 -5.615 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.797 5.291 -6.487 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.062 5.397 -6.716 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.798 6.835 -4.772 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.433 6.517 -4.227 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.331 7.625 -6.322 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.690 7.971 -6.831 1.00 0.00 H new ATOM 0 HE ARG A 5 1.722 8.957 -4.197 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.750 9.350 -7.051 1.00 0.00 H new ATOM 0 HH12 ARG A 5 4.240 10.990 -6.613 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.365 11.045 -3.666 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.466 11.936 -4.722 1.00 0.00 H new ATOM 101 N LEU A 6 3.944 4.277 -4.272 1.00 0.00 N ATOM 102 CA LEU A 6 5.006 4.242 -3.222 1.00 0.00 C ATOM 103 C LEU A 6 5.247 5.634 -2.631 1.00 0.00 C ATOM 104 O LEU A 6 5.481 6.593 -3.340 1.00 0.00 O ATOM 105 CB LEU A 6 6.263 3.766 -3.952 1.00 0.00 C ATOM 106 CG LEU A 6 6.128 2.283 -4.295 1.00 0.00 C ATOM 107 CD1 LEU A 6 5.207 2.118 -5.505 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.509 1.712 -4.627 1.00 0.00 C ATOM 0 H LEU A 6 4.278 4.434 -5.223 1.00 0.00 H new ATOM 0 HA LEU A 6 4.726 3.593 -2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.409 4.348 -4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.141 3.926 -3.327 1.00 0.00 H new ATOM 0 HG LEU A 6 5.706 1.751 -3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.112 1.060 -5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.224 2.527 -5.272 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.628 2.650 -6.358 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.416 0.654 -4.872 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.928 2.246 -5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.167 1.828 -3.766 1.00 0.00 H new ATOM 120 N ALA A 7 5.194 5.745 -1.330 1.00 0.00 N ATOM 121 CA ALA A 7 5.420 7.063 -0.675 1.00 0.00 C ATOM 122 C ALA A 7 6.847 7.157 -0.129 1.00 0.00 C ATOM 123 O ALA A 7 7.168 6.559 0.870 1.00 0.00 O ATOM 124 CB ALA A 7 4.421 7.081 0.477 1.00 0.00 C ATOM 0 H ALA A 7 5.003 4.974 -0.691 1.00 0.00 H new ATOM 0 HA ALA A 7 5.291 7.897 -1.365 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.512 8.020 1.023 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.409 6.988 0.083 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.627 6.248 1.150 1.00 0.00 H new ATOM 130 N ARG A 8 7.704 7.900 -0.772 1.00 0.00 N ATOM 131 CA ARG A 8 9.104 8.012 -0.276 1.00 0.00 C ATOM 132 C ARG A 8 9.186 8.913 0.961 1.00 0.00 C ATOM 133 O ARG A 8 8.815 10.069 0.923 1.00 0.00 O ATOM 134 CB ARG A 8 9.891 8.641 -1.425 1.00 0.00 C ATOM 135 CG ARG A 8 11.389 8.443 -1.177 1.00 0.00 C ATOM 136 CD ARG A 8 12.184 8.884 -2.410 1.00 0.00 C ATOM 137 NE ARG A 8 13.423 9.514 -1.864 1.00 0.00 N ATOM 138 CZ ARG A 8 14.350 9.982 -2.667 1.00 0.00 C ATOM 139 NH1 ARG A 8 14.211 9.918 -3.968 1.00 0.00 N ATOM 140 NH2 ARG A 8 15.424 10.524 -2.161 1.00 0.00 N ATOM 0 H ARG A 8 7.497 8.433 -1.617 1.00 0.00 H new ATOM 0 HA ARG A 8 9.495 7.038 0.017 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.603 8.184 -2.372 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.660 9.704 -1.501 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.702 9.020 -0.306 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.595 7.396 -0.956 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.422 8.035 -3.051 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.615 9.590 -3.015 1.00 0.00 H new ATOM 0 HE ARG A 8 13.551 9.582 -0.854 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.373 9.500 -4.371 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.941 10.286 -4.578 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.538 10.581 -1.149 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.149 10.890 -2.778 1.00 0.00 H new ATOM 276 N TYR A 17 9.399 2.994 1.102 1.00 0.00 N ATOM 277 CA TYR A 17 8.207 3.733 0.646 1.00 0.00 C ATOM 278 C TYR A 17 6.972 2.960 1.067 1.00 0.00 C ATOM 279 O TYR A 17 6.996 1.749 1.102 1.00 0.00 O ATOM 280 CB TYR A 17 8.253 3.712 -0.874 1.00 0.00 C ATOM 281 CG TYR A 17 9.530 4.292 -1.420 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.753 3.648 -1.204 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.480 5.462 -2.178 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.924 4.181 -1.740 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.649 5.995 -2.719 1.00 0.00 C ATOM 286 CZ TYR A 17 11.876 5.356 -2.500 1.00 0.00 C ATOM 287 OH TYR A 17 13.035 5.882 -3.034 1.00 0.00 O ATOM 0 HA TYR A 17 8.183 4.744 1.053 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.146 2.685 -1.223 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.405 4.273 -1.268 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.790 2.739 -0.622 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.534 5.956 -2.346 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.869 3.687 -1.569 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.609 6.900 -3.307 1.00 0.00 H new ATOM 0 HH TYR A 17 12.902 6.067 -3.987 1.00 0.00 H new ATOM 297 N ARG A 18 5.882 3.614 1.334 1.00 0.00 N ATOM 298 CA ARG A 18 4.668 2.835 1.682 1.00 0.00 C ATOM 299 C ARG A 18 3.771 2.773 0.461 1.00 0.00 C ATOM 300 O ARG A 18 3.879 3.577 -0.444 1.00 0.00 O ATOM 301 CB ARG A 18 3.961 3.576 2.811 1.00 0.00 C ATOM 302 CG ARG A 18 4.628 3.254 4.150 1.00 0.00 C ATOM 303 CD ARG A 18 4.112 4.218 5.221 1.00 0.00 C ATOM 304 NE ARG A 18 5.309 4.557 6.043 1.00 0.00 N ATOM 305 CZ ARG A 18 5.846 3.669 6.848 1.00 0.00 C ATOM 306 NH1 ARG A 18 5.342 2.464 6.955 1.00 0.00 N ATOM 307 NH2 ARG A 18 6.897 3.991 7.551 1.00 0.00 N ATOM 0 H ARG A 18 5.778 4.629 1.327 1.00 0.00 H new ATOM 0 HA ARG A 18 4.916 1.821 1.995 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.994 4.650 2.628 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.910 3.290 2.842 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.413 2.225 4.438 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.711 3.340 4.059 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.676 5.110 4.772 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.335 3.754 5.828 1.00 0.00 H new ATOM 0 HE ARG A 18 5.716 5.490 5.979 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.521 2.204 6.408 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.771 1.786 7.585 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.296 4.927 7.473 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.320 3.307 8.179 1.00 0.00 H new ATOM 321 N ILE A 19 2.858 1.862 0.445 1.00 0.00 N ATOM 322 CA ILE A 19 1.922 1.781 -0.686 1.00 0.00 C ATOM 323 C ILE A 19 0.681 2.482 -0.163 1.00 0.00 C ATOM 324 O ILE A 19 -0.231 1.877 0.364 1.00 0.00 O ATOM 325 CB ILE A 19 1.686 0.287 -0.979 1.00 0.00 C ATOM 326 CG1 ILE A 19 2.825 -0.592 -0.449 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.649 0.069 -2.484 1.00 0.00 C ATOM 328 CD1 ILE A 19 4.148 -0.081 -1.017 1.00 0.00 C ATOM 0 H ILE A 19 2.719 1.163 1.175 1.00 0.00 H new ATOM 0 HA ILE A 19 2.259 2.237 -1.617 1.00 0.00 H new ATOM 0 HB ILE A 19 0.750 0.015 -0.492 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.847 -0.565 0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.666 -1.631 -0.739 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.482 -0.987 -2.695 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.840 0.658 -2.917 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.598 0.380 -2.920 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.966 -0.699 -0.647 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.120 -0.131 -2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.303 0.952 -0.705 1.00 0.00 H new ATOM 340 N VAL A 20 0.723 3.782 -0.204 1.00 0.00 N ATOM 341 CA VAL A 20 -0.353 4.596 0.396 1.00 0.00 C ATOM 342 C VAL A 20 -1.381 5.056 -0.647 1.00 0.00 C ATOM 343 O VAL A 20 -1.172 4.956 -1.838 1.00 0.00 O ATOM 344 CB VAL A 20 0.446 5.758 1.040 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.341 7.057 0.236 1.00 0.00 C ATOM 346 CG2 VAL A 20 -0.054 5.999 2.460 1.00 0.00 C ATOM 0 H VAL A 20 1.474 4.320 -0.637 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.971 4.060 1.117 1.00 0.00 H new ATOM 0 HB VAL A 20 1.495 5.463 1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.918 7.838 0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.733 6.896 -0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.703 7.362 0.173 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.509 6.816 2.910 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.112 6.259 2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.083 5.094 3.052 1.00 0.00 H new ATOM 356 N VAL A 21 -2.510 5.518 -0.181 1.00 0.00 N ATOM 357 CA VAL A 21 -3.602 5.945 -1.099 1.00 0.00 C ATOM 358 C VAL A 21 -3.754 7.466 -1.083 1.00 0.00 C ATOM 359 O VAL A 21 -4.115 8.047 -0.083 1.00 0.00 O ATOM 360 CB VAL A 21 -4.892 5.298 -0.550 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.733 4.792 -1.714 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.590 4.115 0.370 1.00 0.00 C ATOM 0 H VAL A 21 -2.724 5.619 0.811 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.391 5.643 -2.125 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.423 6.058 0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.645 4.334 -1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.991 5.626 -2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.165 4.053 -2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.525 3.689 0.734 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.037 3.356 -0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.993 4.455 1.216 1.00 0.00 H new ATOM 372 N THR A 22 -3.497 8.116 -2.183 1.00 0.00 N ATOM 373 CA THR A 22 -3.653 9.600 -2.213 1.00 0.00 C ATOM 374 C THR A 22 -4.257 10.053 -3.542 1.00 0.00 C ATOM 375 O THR A 22 -4.591 9.254 -4.394 1.00 0.00 O ATOM 376 CB THR A 22 -2.245 10.182 -2.021 1.00 0.00 C ATOM 377 OG1 THR A 22 -2.256 11.558 -2.371 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.233 9.444 -2.901 1.00 0.00 C ATOM 0 H THR A 22 -3.188 7.690 -3.057 1.00 0.00 H new ATOM 0 HA THR A 22 -4.329 9.944 -1.431 1.00 0.00 H new ATOM 0 HB THR A 22 -1.954 10.063 -0.977 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.359 11.934 -2.248 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.241 9.871 -2.751 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.218 8.388 -2.631 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.518 9.547 -3.948 1.00 0.00 H new ATOM 543 N TYR A 32 -2.615 11.809 1.607 1.00 0.00 N ATOM 544 CA TYR A 32 -3.243 10.498 1.260 1.00 0.00 C ATOM 545 C TYR A 32 -4.493 10.268 2.106 1.00 0.00 C ATOM 546 O TYR A 32 -4.860 11.083 2.929 1.00 0.00 O ATOM 547 CB TYR A 32 -2.195 9.409 1.549 1.00 0.00 C ATOM 548 CG TYR A 32 -1.498 9.675 2.865 1.00 0.00 C ATOM 549 CD1 TYR A 32 -2.169 9.454 4.073 1.00 0.00 C ATOM 550 CD2 TYR A 32 -0.180 10.146 2.872 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.521 9.704 5.289 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.468 10.395 4.086 1.00 0.00 C ATOM 553 CZ TYR A 32 -0.202 10.175 5.296 1.00 0.00 C ATOM 554 OH TYR A 32 0.437 10.421 6.494 1.00 0.00 O ATOM 0 HA TYR A 32 -3.547 10.478 0.213 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.677 8.432 1.578 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.462 9.379 0.743 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.186 9.091 4.067 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.337 10.317 1.939 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.038 9.534 6.222 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.485 10.757 4.090 1.00 0.00 H new ATOM 0 HH TYR A 32 1.346 10.742 6.320 1.00 0.00 H new ATOM 564 N ILE A 33 -5.152 9.163 1.906 1.00 0.00 N ATOM 565 CA ILE A 33 -6.384 8.872 2.691 1.00 0.00 C ATOM 566 C ILE A 33 -6.034 7.977 3.881 1.00 0.00 C ATOM 567 O ILE A 33 -6.520 8.162 4.979 1.00 0.00 O ATOM 568 CB ILE A 33 -7.329 8.127 1.735 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.287 8.748 0.330 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.754 8.216 2.275 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.646 10.230 0.410 1.00 0.00 C ATOM 0 H ILE A 33 -4.890 8.445 1.230 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.843 9.782 3.077 1.00 0.00 H new ATOM 0 HB ILE A 33 -7.009 7.087 1.667 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.293 8.628 -0.101 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.985 8.230 -0.328 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.431 7.690 1.602 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.797 7.760 3.264 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.052 9.262 2.345 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.615 10.666 -0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.649 10.340 0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.931 10.743 1.053 1.00 0.00 H new ATOM 583 N GLU A 34 -5.189 7.007 3.665 1.00 0.00 N ATOM 584 CA GLU A 34 -4.796 6.092 4.773 1.00 0.00 C ATOM 585 C GLU A 34 -3.611 5.227 4.339 1.00 0.00 C ATOM 586 O GLU A 34 -3.267 5.167 3.175 1.00 0.00 O ATOM 587 CB GLU A 34 -6.030 5.224 5.025 1.00 0.00 C ATOM 588 CG GLU A 34 -6.195 5.001 6.530 1.00 0.00 C ATOM 589 CD GLU A 34 -7.581 5.480 6.967 1.00 0.00 C ATOM 590 OE1 GLU A 34 -8.489 5.427 6.155 1.00 0.00 O ATOM 591 OE2 GLU A 34 -7.711 5.892 8.109 1.00 0.00 O ATOM 0 H GLU A 34 -4.752 6.808 2.765 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.488 6.631 5.669 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.918 5.708 4.618 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.926 4.267 4.514 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.072 3.944 6.768 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.422 5.543 7.076 1.00 0.00 H new ATOM 598 N LYS A 35 -2.979 4.559 5.264 1.00 0.00 N ATOM 599 CA LYS A 35 -1.816 3.702 4.901 1.00 0.00 C ATOM 600 C LYS A 35 -2.262 2.250 4.722 1.00 0.00 C ATOM 601 O LYS A 35 -2.566 1.564 5.677 1.00 0.00 O ATOM 602 CB LYS A 35 -0.852 3.822 6.081 1.00 0.00 C ATOM 603 CG LYS A 35 -0.048 5.116 5.954 1.00 0.00 C ATOM 604 CD LYS A 35 0.931 5.224 7.123 1.00 0.00 C ATOM 605 CE LYS A 35 1.787 6.480 6.957 1.00 0.00 C ATOM 606 NZ LYS A 35 0.923 7.597 7.430 1.00 0.00 N ATOM 0 H LYS A 35 -3.218 4.570 6.256 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.355 4.011 3.963 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.407 3.817 7.019 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.180 2.964 6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.495 5.128 5.009 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.719 5.975 5.947 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.385 5.265 8.066 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.567 4.340 7.161 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.704 6.414 7.543 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.083 6.622 5.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.945 8.371 6.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.054 7.258 7.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.274 7.944 8.345 1.00 0.00 H new ATOM 620 N ILE A 36 -2.302 1.773 3.508 1.00 0.00 N ATOM 621 CA ILE A 36 -2.731 0.358 3.289 1.00 0.00 C ATOM 622 C ILE A 36 -1.525 -0.540 3.092 1.00 0.00 C ATOM 623 O ILE A 36 -1.517 -1.683 3.508 1.00 0.00 O ATOM 624 CB ILE A 36 -3.583 0.382 2.024 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.730 0.842 0.830 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.749 1.341 2.227 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.586 0.882 -0.430 1.00 0.00 C ATOM 0 H ILE A 36 -2.059 2.293 2.665 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.282 -0.032 4.145 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.964 -0.619 1.820 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.312 1.829 1.028 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.889 0.163 0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.363 1.363 1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.353 1.006 3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.366 2.341 2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.977 1.208 -1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.982 -0.113 -0.632 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.412 1.579 -0.287 1.00 0.00 H new ATOM 639 N GLY A 37 -0.518 -0.052 2.440 1.00 0.00 N ATOM 640 CA GLY A 37 0.662 -0.907 2.199 1.00 0.00 C ATOM 641 C GLY A 37 1.938 -0.288 2.755 1.00 0.00 C ATOM 642 O GLY A 37 2.013 0.890 3.046 1.00 0.00 O ATOM 0 H GLY A 37 -0.461 0.895 2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.503 -1.883 2.658 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.777 -1.073 1.128 1.00 0.00 H new ATOM 646 N TYR A 38 2.956 -1.092 2.840 1.00 0.00 N ATOM 647 CA TYR A 38 4.290 -0.615 3.304 1.00 0.00 C ATOM 648 C TYR A 38 5.362 -1.298 2.449 1.00 0.00 C ATOM 649 O TYR A 38 5.339 -2.501 2.275 1.00 0.00 O ATOM 650 CB TYR A 38 4.401 -1.047 4.769 1.00 0.00 C ATOM 651 CG TYR A 38 5.792 -0.745 5.290 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.448 0.438 4.915 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.423 -1.647 6.154 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.731 0.713 5.405 1.00 0.00 C ATOM 655 CE2 TYR A 38 7.705 -1.369 6.643 1.00 0.00 C ATOM 656 CZ TYR A 38 8.359 -0.190 6.269 1.00 0.00 C ATOM 657 OH TYR A 38 9.623 0.082 6.752 1.00 0.00 O ATOM 0 H TYR A 38 2.921 -2.083 2.602 1.00 0.00 H new ATOM 0 HA TYR A 38 4.416 0.464 3.214 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.657 -0.524 5.369 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.192 -2.113 4.860 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.963 1.136 4.249 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.921 -2.558 6.444 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.236 1.623 5.115 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.190 -2.066 7.310 1.00 0.00 H new ATOM 0 HH TYR A 38 10.274 0.014 6.022 1.00 0.00 H new ATOM 667 N TYR A 39 6.299 -0.563 1.905 1.00 0.00 N ATOM 668 CA TYR A 39 7.343 -1.228 1.065 1.00 0.00 C ATOM 669 C TYR A 39 8.742 -0.757 1.480 1.00 0.00 C ATOM 670 O TYR A 39 8.985 0.423 1.634 1.00 0.00 O ATOM 671 CB TYR A 39 7.057 -0.821 -0.385 1.00 0.00 C ATOM 672 CG TYR A 39 8.166 -1.307 -1.304 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.848 -2.499 -1.020 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.500 -0.573 -2.450 1.00 0.00 C ATOM 675 CE1 TYR A 39 9.860 -2.955 -1.872 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.511 -1.033 -3.304 1.00 0.00 C ATOM 677 CZ TYR A 39 10.190 -2.222 -3.016 1.00 0.00 C ATOM 678 OH TYR A 39 11.181 -2.675 -3.863 1.00 0.00 O ATOM 0 H TYR A 39 6.387 0.449 2.002 1.00 0.00 H new ATOM 0 HA TYR A 39 7.313 -2.311 1.186 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.103 -1.239 -0.705 1.00 0.00 H new ATOM 0 HB3 TYR A 39 6.969 0.263 -0.454 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.591 -3.068 -0.139 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.979 0.346 -2.675 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.385 -3.871 -1.646 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.767 -0.468 -4.188 1.00 0.00 H new ATOM 0 HH TYR A 39 11.284 -2.049 -4.610 1.00 0.00 H new ATOM 688 N ASP A 40 9.668 -1.660 1.651 1.00 0.00 N ATOM 689 CA ASP A 40 11.047 -1.245 2.044 1.00 0.00 C ATOM 690 C ASP A 40 12.081 -1.961 1.165 1.00 0.00 C ATOM 691 O ASP A 40 12.545 -3.030 1.508 1.00 0.00 O ATOM 692 CB ASP A 40 11.192 -1.676 3.504 1.00 0.00 C ATOM 693 CG ASP A 40 12.192 -0.761 4.212 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.292 -0.613 3.705 1.00 0.00 O ATOM 695 OD2 ASP A 40 11.842 -0.224 5.250 1.00 0.00 O ATOM 0 H ASP A 40 9.532 -2.664 1.536 1.00 0.00 H new ATOM 0 HA ASP A 40 11.209 -0.174 1.920 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.225 -1.631 4.005 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.530 -2.711 3.556 1.00 0.00 H new ATOM 838 N LEU A 49 7.981 -6.611 2.317 1.00 0.00 N ATOM 839 CA LEU A 49 6.628 -6.151 1.892 1.00 0.00 C ATOM 840 C LEU A 49 5.606 -6.340 3.013 1.00 0.00 C ATOM 841 O LEU A 49 5.406 -7.428 3.514 1.00 0.00 O ATOM 842 CB LEU A 49 6.270 -7.040 0.706 1.00 0.00 C ATOM 843 CG LEU A 49 4.936 -6.591 0.111 1.00 0.00 C ATOM 844 CD1 LEU A 49 4.934 -6.883 -1.385 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.793 -7.358 0.779 1.00 0.00 C ATOM 0 HA LEU A 49 6.624 -5.090 1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.053 -6.987 -0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.205 -8.080 1.025 1.00 0.00 H new ATOM 0 HG LEU A 49 4.801 -5.523 0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.985 -6.565 -1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.750 -6.340 -1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.066 -7.953 -1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.842 -7.037 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.924 -8.427 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.798 -7.158 1.850 1.00 0.00 H new ATOM 857 N LYS A 50 4.950 -5.284 3.398 1.00 0.00 N ATOM 858 CA LYS A 50 3.929 -5.382 4.470 1.00 0.00 C ATOM 859 C LYS A 50 2.669 -4.629 4.044 1.00 0.00 C ATOM 860 O LYS A 50 2.565 -3.433 4.228 1.00 0.00 O ATOM 861 CB LYS A 50 4.575 -4.706 5.674 1.00 0.00 C ATOM 862 CG LYS A 50 4.432 -5.613 6.888 1.00 0.00 C ATOM 863 CD LYS A 50 5.601 -6.598 6.932 1.00 0.00 C ATOM 864 CE LYS A 50 6.217 -6.597 8.332 1.00 0.00 C ATOM 865 NZ LYS A 50 5.528 -7.703 9.053 1.00 0.00 N ATOM 0 H LYS A 50 5.080 -4.349 3.011 1.00 0.00 H new ATOM 0 HA LYS A 50 3.634 -6.409 4.687 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.628 -4.508 5.474 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.100 -3.744 5.865 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.411 -5.016 7.800 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.488 -6.155 6.840 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.256 -7.600 6.676 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.352 -6.321 6.192 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.294 -6.763 8.290 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.061 -5.641 8.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.896 -7.767 10.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.506 -7.514 9.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.700 -8.601 8.557 1.00 0.00 H new ATOM 879 N VAL A 51 1.717 -5.307 3.459 1.00 0.00 N ATOM 880 CA VAL A 51 0.487 -4.593 3.015 1.00 0.00 C ATOM 881 C VAL A 51 -0.767 -5.181 3.657 1.00 0.00 C ATOM 882 O VAL A 51 -0.983 -6.376 3.662 1.00 0.00 O ATOM 883 CB VAL A 51 0.455 -4.747 1.470 1.00 0.00 C ATOM 884 CG1 VAL A 51 -0.967 -5.036 0.954 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.923 -3.448 0.825 1.00 0.00 C ATOM 0 H VAL A 51 1.737 -6.310 3.272 1.00 0.00 H new ATOM 0 HA VAL A 51 0.505 -3.545 3.315 1.00 0.00 H new ATOM 0 HB VAL A 51 1.106 -5.582 1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.947 -5.137 -0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.334 -5.961 1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.628 -4.214 1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.902 -3.552 -0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.262 -2.634 1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.940 -3.227 1.149 1.00 0.00 H new ATOM 895 N ASP A 52 -1.632 -4.330 4.121 1.00 0.00 N ATOM 896 CA ASP A 52 -2.911 -4.814 4.673 1.00 0.00 C ATOM 897 C ASP A 52 -3.846 -4.988 3.481 1.00 0.00 C ATOM 898 O ASP A 52 -4.759 -4.212 3.286 1.00 0.00 O ATOM 899 CB ASP A 52 -3.403 -3.701 5.599 1.00 0.00 C ATOM 900 CG ASP A 52 -4.129 -4.316 6.798 1.00 0.00 C ATOM 901 OD1 ASP A 52 -3.483 -5.020 7.557 1.00 0.00 O ATOM 902 OD2 ASP A 52 -5.316 -4.073 6.936 1.00 0.00 O ATOM 0 H ASP A 52 -1.504 -3.318 4.140 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.844 -5.753 5.222 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.561 -3.099 5.940 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.074 -3.033 5.058 1.00 0.00 H new ATOM 907 N VAL A 53 -3.573 -5.974 2.648 1.00 0.00 N ATOM 908 CA VAL A 53 -4.393 -6.203 1.408 1.00 0.00 C ATOM 909 C VAL A 53 -5.878 -5.905 1.653 1.00 0.00 C ATOM 910 O VAL A 53 -6.576 -5.490 0.755 1.00 0.00 O ATOM 911 CB VAL A 53 -4.147 -7.675 0.965 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.910 -8.595 2.165 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.347 -8.205 0.167 1.00 0.00 C ATOM 0 H VAL A 53 -2.808 -6.636 2.778 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.092 -5.522 0.612 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.254 -7.674 0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.742 -9.614 1.815 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.036 -8.253 2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.783 -8.575 2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.157 -9.235 -0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.242 -8.168 0.788 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.495 -7.589 -0.720 1.00 0.00 H new ATOM 923 N GLU A 54 -6.367 -6.083 2.848 1.00 0.00 N ATOM 924 CA GLU A 54 -7.797 -5.764 3.090 1.00 0.00 C ATOM 925 C GLU A 54 -8.031 -4.290 2.773 1.00 0.00 C ATOM 926 O GLU A 54 -8.904 -3.938 2.006 1.00 0.00 O ATOM 927 CB GLU A 54 -8.043 -6.058 4.570 1.00 0.00 C ATOM 928 CG GLU A 54 -9.515 -6.413 4.782 1.00 0.00 C ATOM 929 CD GLU A 54 -10.289 -5.160 5.191 1.00 0.00 C ATOM 930 OE1 GLU A 54 -10.268 -4.829 6.366 1.00 0.00 O ATOM 931 OE2 GLU A 54 -10.890 -4.549 4.323 1.00 0.00 O ATOM 0 H GLU A 54 -5.847 -6.430 3.654 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.474 -6.348 2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.409 -6.881 4.898 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.777 -5.190 5.173 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.935 -6.830 3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.608 -7.178 5.553 1.00 0.00 H new ATOM 938 N ARG A 55 -7.235 -3.429 3.337 1.00 0.00 N ATOM 939 CA ARG A 55 -7.386 -1.982 3.046 1.00 0.00 C ATOM 940 C ARG A 55 -6.811 -1.698 1.659 1.00 0.00 C ATOM 941 O ARG A 55 -7.356 -0.936 0.893 1.00 0.00 O ATOM 942 CB ARG A 55 -6.578 -1.261 4.123 1.00 0.00 C ATOM 943 CG ARG A 55 -7.260 -1.439 5.478 1.00 0.00 C ATOM 944 CD ARG A 55 -8.555 -0.625 5.512 1.00 0.00 C ATOM 945 NE ARG A 55 -8.124 0.790 5.328 1.00 0.00 N ATOM 946 CZ ARG A 55 -9.008 1.749 5.180 1.00 0.00 C ATOM 947 NH1 ARG A 55 -10.293 1.491 5.196 1.00 0.00 N ATOM 948 NH2 ARG A 55 -8.601 2.978 5.015 1.00 0.00 N ATOM 0 H ARG A 55 -6.486 -3.666 3.987 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.426 -1.654 3.053 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.564 -1.659 4.159 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.496 -0.201 3.882 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.477 -2.493 5.652 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.594 -1.115 6.277 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.238 -0.936 4.721 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -9.081 -0.758 6.458 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.129 1.016 5.317 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.619 0.533 5.325 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.967 2.248 5.080 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.603 3.187 5.002 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.281 3.729 4.899 1.00 0.00 H new ATOM 962 N ALA A 56 -5.729 -2.337 1.315 1.00 0.00 N ATOM 963 CA ALA A 56 -5.154 -2.127 -0.030 1.00 0.00 C ATOM 964 C ALA A 56 -6.177 -2.620 -1.058 1.00 0.00 C ATOM 965 O ALA A 56 -6.175 -2.210 -2.205 1.00 0.00 O ATOM 966 CB ALA A 56 -3.856 -2.949 -0.040 1.00 0.00 C ATOM 0 H ALA A 56 -5.223 -2.993 1.910 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.933 -1.087 -0.272 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.367 -2.845 -1.009 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.190 -2.587 0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.089 -3.999 0.138 1.00 0.00 H new ATOM 972 N ARG A 57 -7.085 -3.476 -0.639 1.00 0.00 N ATOM 973 CA ARG A 57 -8.128 -3.970 -1.569 1.00 0.00 C ATOM 974 C ARG A 57 -9.336 -3.021 -1.545 1.00 0.00 C ATOM 975 O ARG A 57 -10.111 -2.963 -2.478 1.00 0.00 O ATOM 976 CB ARG A 57 -8.515 -5.354 -1.048 1.00 0.00 C ATOM 977 CG ARG A 57 -9.624 -5.942 -1.923 1.00 0.00 C ATOM 978 CD ARG A 57 -9.867 -7.401 -1.527 1.00 0.00 C ATOM 979 NE ARG A 57 -11.345 -7.585 -1.616 1.00 0.00 N ATOM 980 CZ ARG A 57 -11.872 -8.786 -1.668 1.00 0.00 C ATOM 981 NH1 ARG A 57 -11.116 -9.855 -1.647 1.00 0.00 N ATOM 982 NH2 ARG A 57 -13.168 -8.916 -1.742 1.00 0.00 N ATOM 0 H ARG A 57 -7.139 -3.847 0.309 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.776 -4.018 -2.600 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.646 -6.012 -1.054 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.853 -5.283 -0.014 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.541 -5.364 -1.804 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.343 -5.881 -2.974 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.343 -8.084 -2.196 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.504 -7.602 -0.519 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.954 -6.767 -1.637 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.102 -9.761 -1.589 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.541 -10.781 -1.688 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.763 -8.088 -1.759 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.586 -9.846 -1.783 1.00 0.00 H new ATOM 996 N TYR A 58 -9.480 -2.261 -0.488 1.00 0.00 N ATOM 997 CA TYR A 58 -10.606 -1.290 -0.391 1.00 0.00 C ATOM 998 C TYR A 58 -10.403 -0.244 -1.462 1.00 0.00 C ATOM 999 O TYR A 58 -11.287 0.122 -2.210 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.433 -0.664 1.004 1.00 0.00 C ATOM 1001 CG TYR A 58 -11.067 0.718 1.093 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.251 0.996 0.403 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.463 1.718 1.875 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.835 2.266 0.490 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -11.050 2.987 1.963 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.236 3.262 1.272 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.811 4.515 1.361 1.00 0.00 O ATOM 0 H TYR A 58 -8.857 -2.274 0.319 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.594 -1.731 -0.522 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.882 -1.317 1.752 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.371 -0.591 1.239 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.716 0.229 -0.199 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.547 1.508 2.408 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.748 2.478 -0.046 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.587 3.755 2.565 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.134 5.199 1.178 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.215 0.237 -1.498 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.841 1.282 -2.464 1.00 0.00 C ATOM 1019 C TRP A 59 -8.956 0.743 -3.874 1.00 0.00 C ATOM 1020 O TRP A 59 -9.663 1.282 -4.702 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.421 1.630 -2.062 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.551 2.308 -0.752 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -7.084 1.875 0.439 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.285 3.515 -0.494 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.460 2.786 1.414 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.212 3.816 0.880 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.989 4.372 -1.336 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.831 4.950 1.404 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.616 5.508 -0.821 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.539 5.799 0.547 1.00 0.00 C ATOM 0 H TRP A 59 -8.460 -0.058 -0.879 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.481 2.165 -2.454 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.802 0.736 -1.984 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.950 2.281 -2.799 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.514 0.972 0.604 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.213 2.706 2.400 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -9.050 4.157 -2.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.765 5.170 2.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.163 6.166 -1.480 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.026 6.679 0.940 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.317 -0.349 -4.149 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.455 -0.942 -5.504 1.00 0.00 C ATOM 1043 C LEU A 60 -9.950 -1.163 -5.785 1.00 0.00 C ATOM 1044 O LEU A 60 -10.375 -1.262 -6.920 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.705 -2.274 -5.447 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.205 -2.009 -5.306 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.486 -3.310 -4.945 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -5.654 -1.475 -6.632 1.00 0.00 C ATOM 0 H LEU A 60 -7.710 -0.856 -3.504 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.054 -0.308 -6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.061 -2.868 -4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.900 -2.852 -6.350 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.041 -1.273 -4.519 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.417 -3.119 -4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.876 -3.692 -4.002 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.651 -4.047 -5.731 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.585 -1.286 -6.532 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.820 -2.212 -7.418 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.164 -0.547 -6.891 1.00 0.00 H new ATOM 1060 N SER A 61 -10.753 -1.227 -4.744 1.00 0.00 N ATOM 1061 CA SER A 61 -12.216 -1.428 -4.931 1.00 0.00 C ATOM 1062 C SER A 61 -12.906 -0.104 -5.293 1.00 0.00 C ATOM 1063 O SER A 61 -13.960 -0.096 -5.896 1.00 0.00 O ATOM 1064 CB SER A 61 -12.722 -1.945 -3.586 1.00 0.00 C ATOM 1065 OG SER A 61 -13.083 -3.314 -3.716 1.00 0.00 O ATOM 0 H SER A 61 -10.450 -1.148 -3.773 1.00 0.00 H new ATOM 0 HA SER A 61 -12.429 -2.122 -5.744 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.950 -1.831 -2.825 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.581 -1.360 -3.258 1.00 0.00 H new ATOM 0 HG SER A 61 -13.407 -3.650 -2.854 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.326 1.017 -4.938 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.966 2.312 -5.277 1.00 0.00 C ATOM 1073 C VAL A 62 -12.309 2.896 -6.526 1.00 0.00 C ATOM 1074 O VAL A 62 -12.176 4.094 -6.680 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.756 3.230 -4.060 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -13.213 2.529 -2.779 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.279 3.607 -3.920 1.00 0.00 C ATOM 0 H VAL A 62 -11.443 1.085 -4.432 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.029 2.199 -5.492 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.347 4.133 -4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -13.058 3.191 -1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.271 2.281 -2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.635 1.615 -2.638 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.150 4.256 -3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.684 2.703 -3.788 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.950 4.130 -4.818 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.904 2.043 -7.419 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.259 2.516 -8.676 1.00 0.00 C ATOM 1089 C GLY A 63 -9.871 3.088 -8.374 1.00 0.00 C ATOM 1090 O GLY A 63 -9.367 3.918 -9.104 1.00 0.00 O ATOM 0 H GLY A 63 -11.991 1.030 -7.334 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.175 1.691 -9.383 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.880 3.278 -9.148 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.241 2.652 -7.315 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.886 3.184 -6.998 1.00 0.00 C ATOM 1096 C ALA A 64 -6.862 2.599 -7.970 1.00 0.00 C ATOM 1097 O ALA A 64 -6.582 1.416 -7.954 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.589 2.731 -5.569 1.00 0.00 C ATOM 0 H ALA A 64 -9.603 1.957 -6.662 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.839 4.269 -7.088 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.604 3.090 -5.271 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.342 3.138 -4.894 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.609 1.642 -5.521 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.309 3.413 -8.824 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.311 2.895 -9.803 1.00 0.00 C ATOM 1106 C GLN A 65 -3.917 2.806 -9.161 1.00 0.00 C ATOM 1107 O GLN A 65 -3.345 3.812 -8.787 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.310 3.914 -10.943 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.594 3.197 -12.266 1.00 0.00 C ATOM 1110 CD GLN A 65 -4.642 3.717 -13.345 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -3.585 4.234 -13.042 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -4.975 3.602 -14.602 1.00 0.00 N ATOM 0 H GLN A 65 -6.503 4.412 -8.888 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.561 1.892 -10.148 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.065 4.679 -10.762 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.347 4.421 -10.991 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.468 2.121 -12.143 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.628 3.364 -12.567 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.862 3.168 -14.857 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.348 3.946 -15.329 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.404 1.602 -9.061 1.00 0.00 N ATOM 1122 CA PRO A 66 -2.061 1.404 -8.477 1.00 0.00 C ATOM 1123 C PRO A 66 -0.993 1.636 -9.554 1.00 0.00 C ATOM 1124 O PRO A 66 -1.015 1.025 -10.603 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.079 -0.054 -8.033 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.096 -0.730 -8.905 1.00 0.00 C ATOM 1127 CD PRO A 66 -4.016 0.329 -9.463 1.00 0.00 C ATOM 0 HA PRO A 66 -1.833 2.086 -7.658 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.097 -0.511 -8.150 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.347 -0.140 -6.980 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.604 -1.271 -9.713 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.663 -1.462 -8.330 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.096 0.253 -10.547 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.024 0.230 -9.061 1.00 0.00 H new ATOM 1135 N THR A 67 -0.066 2.523 -9.310 1.00 0.00 N ATOM 1136 CA THR A 67 0.992 2.797 -10.330 1.00 0.00 C ATOM 1137 C THR A 67 1.710 1.499 -10.720 1.00 0.00 C ATOM 1138 O THR A 67 1.462 0.450 -10.158 1.00 0.00 O ATOM 1139 CB THR A 67 1.962 3.765 -9.651 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.057 4.023 -10.518 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.469 3.147 -8.353 1.00 0.00 C ATOM 0 H THR A 67 0.006 3.069 -8.452 1.00 0.00 H new ATOM 0 HA THR A 67 0.577 3.214 -11.247 1.00 0.00 H new ATOM 0 HB THR A 67 1.449 4.701 -9.429 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.678 4.645 -10.084 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.161 3.836 -7.868 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.626 2.951 -7.690 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.983 2.211 -8.572 1.00 0.00 H new ATOM 1149 N ASP A 68 2.601 1.562 -11.676 1.00 0.00 N ATOM 1150 CA ASP A 68 3.336 0.329 -12.102 1.00 0.00 C ATOM 1151 C ASP A 68 4.425 -0.025 -11.083 1.00 0.00 C ATOM 1152 O ASP A 68 5.589 -0.142 -11.414 1.00 0.00 O ATOM 1153 CB ASP A 68 3.959 0.688 -13.453 1.00 0.00 C ATOM 1154 CG ASP A 68 2.908 0.543 -14.556 1.00 0.00 C ATOM 1155 OD1 ASP A 68 1.732 0.525 -14.229 1.00 0.00 O ATOM 1156 OD2 ASP A 68 3.297 0.453 -15.708 1.00 0.00 O ATOM 0 H ASP A 68 2.852 2.412 -12.181 1.00 0.00 H new ATOM 0 HA ASP A 68 2.679 -0.538 -12.172 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.339 1.709 -13.430 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.809 0.037 -13.658 1.00 0.00 H new ATOM 1161 N THR A 69 4.044 -0.202 -9.847 1.00 0.00 N ATOM 1162 CA THR A 69 5.022 -0.555 -8.777 1.00 0.00 C ATOM 1163 C THR A 69 4.242 -1.031 -7.557 1.00 0.00 C ATOM 1164 O THR A 69 4.350 -2.164 -7.131 1.00 0.00 O ATOM 1165 CB THR A 69 5.763 0.734 -8.451 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.113 1.414 -9.647 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.028 0.416 -7.654 1.00 0.00 C ATOM 0 H THR A 69 3.079 -0.115 -9.528 1.00 0.00 H new ATOM 0 HA THR A 69 5.715 -1.340 -9.080 1.00 0.00 H new ATOM 0 HB THR A 69 5.111 1.374 -7.856 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.451 0.769 -10.303 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.555 1.342 -7.423 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.757 -0.088 -6.726 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.676 -0.233 -8.243 1.00 0.00 H new ATOM 1175 N ALA A 70 3.420 -0.171 -7.019 1.00 0.00 N ATOM 1176 CA ALA A 70 2.584 -0.557 -5.861 1.00 0.00 C ATOM 1177 C ALA A 70 1.604 -1.619 -6.331 1.00 0.00 C ATOM 1178 O ALA A 70 1.147 -2.446 -5.570 1.00 0.00 O ATOM 1179 CB ALA A 70 1.852 0.721 -5.451 1.00 0.00 C ATOM 0 H ALA A 70 3.295 0.789 -7.340 1.00 0.00 H new ATOM 0 HA ALA A 70 3.152 -0.962 -5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.210 0.514 -4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.580 1.487 -5.182 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.244 1.075 -6.283 1.00 0.00 H new ATOM 1185 N ARG A 71 1.305 -1.623 -7.605 1.00 0.00 N ATOM 1186 CA ARG A 71 0.397 -2.649 -8.136 1.00 0.00 C ATOM 1187 C ARG A 71 1.108 -3.980 -7.989 1.00 0.00 C ATOM 1188 O ARG A 71 0.535 -4.972 -7.587 1.00 0.00 O ATOM 1189 CB ARG A 71 0.201 -2.292 -9.611 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.624 -3.383 -10.297 1.00 0.00 C ATOM 1191 CD ARG A 71 -1.043 -2.903 -11.689 1.00 0.00 C ATOM 1192 NE ARG A 71 -0.306 -3.785 -12.641 1.00 0.00 N ATOM 1193 CZ ARG A 71 -0.389 -3.592 -13.937 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -1.133 -2.634 -14.431 1.00 0.00 N ATOM 1195 NH2 ARG A 71 0.276 -4.370 -14.748 1.00 0.00 N ATOM 0 H ARG A 71 1.657 -0.954 -8.290 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.566 -2.703 -7.628 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.304 -1.330 -9.699 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.168 -2.190 -10.103 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.040 -4.300 -10.377 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.506 -3.617 -9.700 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.121 -2.987 -11.827 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.783 -1.855 -11.840 1.00 0.00 H new ATOM 0 HE ARG A 71 0.269 -4.547 -12.281 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.660 -2.024 -13.806 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.186 -2.498 -15.441 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.855 -5.122 -14.373 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.216 -4.226 -15.756 1.00 0.00 H new ATOM 1209 N ARG A 72 2.380 -3.988 -8.283 1.00 0.00 N ATOM 1210 CA ARG A 72 3.158 -5.236 -8.140 1.00 0.00 C ATOM 1211 C ARG A 72 3.140 -5.660 -6.673 1.00 0.00 C ATOM 1212 O ARG A 72 2.979 -6.820 -6.348 1.00 0.00 O ATOM 1213 CB ARG A 72 4.577 -4.888 -8.592 1.00 0.00 C ATOM 1214 CG ARG A 72 4.965 -5.770 -9.780 1.00 0.00 C ATOM 1215 CD ARG A 72 6.456 -5.603 -10.076 1.00 0.00 C ATOM 1216 NE ARG A 72 7.025 -6.977 -9.955 1.00 0.00 N ATOM 1217 CZ ARG A 72 8.315 -7.159 -9.786 1.00 0.00 C ATOM 1218 NH1 ARG A 72 9.137 -6.141 -9.725 1.00 0.00 N ATOM 1219 NH2 ARG A 72 8.783 -8.372 -9.675 1.00 0.00 N ATOM 0 H ARG A 72 2.908 -3.181 -8.615 1.00 0.00 H new ATOM 0 HA ARG A 72 2.754 -6.060 -8.729 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.633 -3.836 -8.873 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.278 -5.036 -7.771 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.742 -6.814 -9.559 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.377 -5.497 -10.656 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.618 -5.194 -11.073 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.925 -4.917 -9.370 1.00 0.00 H new ATOM 0 HE ARG A 72 6.405 -7.785 -10.004 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.778 -5.190 -9.809 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.136 -6.299 -9.593 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.149 -9.169 -9.720 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.783 -8.523 -9.544 1.00 0.00 H new ATOM 1233 N LEU A 73 3.284 -4.715 -5.785 1.00 0.00 N ATOM 1234 CA LEU A 73 3.256 -5.035 -4.340 1.00 0.00 C ATOM 1235 C LEU A 73 1.840 -5.427 -3.950 1.00 0.00 C ATOM 1236 O LEU A 73 1.631 -6.274 -3.109 1.00 0.00 O ATOM 1237 CB LEU A 73 3.687 -3.755 -3.621 1.00 0.00 C ATOM 1238 CG LEU A 73 5.045 -3.291 -4.153 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.216 -1.796 -3.881 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.159 -4.066 -3.449 1.00 0.00 C ATOM 0 H LEU A 73 3.421 -3.729 -6.006 1.00 0.00 H new ATOM 0 HA LEU A 73 3.914 -5.864 -4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.942 -2.974 -3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.749 -3.934 -2.548 1.00 0.00 H new ATOM 0 HG LEU A 73 5.096 -3.473 -5.226 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.183 -1.466 -4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.422 -1.242 -4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.165 -1.613 -2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.127 -3.736 -3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.107 -3.883 -2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.038 -5.132 -3.641 1.00 0.00 H new ATOM 1252 N LEU A 74 0.860 -4.846 -4.584 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.534 -5.231 -4.273 1.00 0.00 C ATOM 1254 C LEU A 74 -0.734 -6.659 -4.776 1.00 0.00 C ATOM 1255 O LEU A 74 -1.528 -7.417 -4.257 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.412 -4.244 -5.042 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.420 -2.899 -4.310 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.026 -1.825 -5.216 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -2.254 -3.018 -3.033 1.00 0.00 C ATOM 0 H LEU A 74 0.968 -4.126 -5.299 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.775 -5.201 -3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.034 -4.117 -6.056 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.427 -4.632 -5.126 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.398 -2.621 -4.053 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.031 -0.868 -4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.432 -1.739 -6.126 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.048 -2.102 -5.475 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.260 -2.061 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.276 -3.297 -3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.821 -3.781 -2.386 1.00 0.00 H new ATOM 1271 N ARG A 75 0.024 -7.032 -5.774 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.059 -8.404 -6.319 1.00 0.00 C ATOM 1273 C ARG A 75 0.779 -9.329 -5.443 1.00 0.00 C ATOM 1274 O ARG A 75 0.517 -10.510 -5.324 1.00 0.00 O ATOM 1275 CB ARG A 75 0.549 -8.303 -7.720 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.138 -9.296 -8.654 1.00 0.00 C ATOM 1277 CD ARG A 75 0.861 -10.372 -9.087 1.00 0.00 C ATOM 1278 NE ARG A 75 0.110 -11.220 -10.060 1.00 0.00 N ATOM 1279 CZ ARG A 75 0.625 -12.338 -10.515 1.00 0.00 C ATOM 1280 NH1 ARG A 75 1.820 -12.729 -10.148 1.00 0.00 N ATOM 1281 NH2 ARG A 75 -0.060 -13.070 -11.351 1.00 0.00 N ATOM 0 H ARG A 75 0.705 -6.429 -6.236 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.075 -8.797 -6.347 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.434 -7.289 -8.104 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.619 -8.509 -7.678 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.988 -9.757 -8.150 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.530 -8.776 -9.529 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.744 -9.929 -9.547 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.205 -10.958 -8.235 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.815 -10.927 -10.375 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.365 -12.162 -9.499 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.205 -13.601 -10.511 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.990 -12.772 -11.647 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.334 -13.940 -11.709 1.00 0.00 H new ATOM 1295 N GLN A 76 1.799 -8.786 -4.835 1.00 0.00 N ATOM 1296 CA GLN A 76 2.678 -9.597 -3.969 1.00 0.00 C ATOM 1297 C GLN A 76 2.072 -9.741 -2.586 1.00 0.00 C ATOM 1298 O GLN A 76 2.151 -10.779 -1.959 1.00 0.00 O ATOM 1299 CB GLN A 76 3.967 -8.797 -3.936 1.00 0.00 C ATOM 1300 CG GLN A 76 5.150 -9.712 -3.629 1.00 0.00 C ATOM 1301 CD GLN A 76 6.293 -9.373 -4.584 1.00 0.00 C ATOM 1302 OE1 GLN A 76 7.431 -9.258 -4.176 1.00 0.00 O ATOM 1303 NE2 GLN A 76 6.032 -9.208 -5.853 1.00 0.00 N ATOM 0 H GLN A 76 2.057 -7.802 -4.907 1.00 0.00 H new ATOM 0 HA GLN A 76 2.829 -10.615 -4.329 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.121 -8.302 -4.895 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.898 -8.014 -3.181 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.470 -9.581 -2.595 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.859 -10.756 -3.743 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.076 -9.305 -6.194 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.785 -8.982 -6.503 1.00 0.00 H new ATOM 1312 N ALA A 77 1.447 -8.713 -2.122 1.00 0.00 N ATOM 1313 CA ALA A 77 0.799 -8.776 -0.791 1.00 0.00 C ATOM 1314 C ALA A 77 -0.388 -9.753 -0.830 1.00 0.00 C ATOM 1315 O ALA A 77 -0.962 -10.085 0.188 1.00 0.00 O ATOM 1316 CB ALA A 77 0.324 -7.350 -0.514 1.00 0.00 C ATOM 0 H ALA A 77 1.353 -7.821 -2.608 1.00 0.00 H new ATOM 0 HA ALA A 77 1.475 -9.132 -0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.169 -7.313 0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.180 -6.675 -0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.379 -7.044 -1.289 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.759 -10.220 -2.001 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.902 -11.175 -2.105 1.00 0.00 C ATOM 1324 C GLY A 78 -3.220 -10.402 -2.149 1.00 0.00 C ATOM 1325 O GLY A 78 -4.135 -10.681 -1.401 1.00 0.00 O ATOM 0 H GLY A 78 -0.317 -9.978 -2.888 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.798 -11.785 -3.002 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.897 -11.856 -1.254 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.329 -9.426 -3.013 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.588 -8.638 -3.087 1.00 0.00 C ATOM 1331 C VAL A 79 -5.458 -9.086 -4.265 1.00 0.00 C ATOM 1332 O VAL A 79 -6.611 -9.430 -4.096 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.153 -7.189 -3.267 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.381 -6.276 -3.230 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.189 -6.789 -2.145 1.00 0.00 C ATOM 0 H VAL A 79 -2.600 -9.143 -3.668 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.192 -8.776 -2.190 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.649 -7.086 -4.228 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.068 -5.240 -3.359 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.064 -6.552 -4.034 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.887 -6.386 -2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.883 -5.752 -2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.687 -6.897 -1.182 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.310 -7.433 -2.173 1.00 0.00 H new