USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=9 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 USER MOD Set 1.2: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 165:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot -140:sc= 1.26 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 180:sc= 0 USER MOD Single : A 61 SER OG : rot 72:sc= 0.647 USER MOD Single : A 65 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 67 THR OG1 : rot 164:sc= -3.67! USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.624 K(o=-0.62,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.056 8.536 -7.151 1.00 0.00 N ATOM 21 CA VAL A 2 -7.637 7.586 -6.078 1.00 0.00 C ATOM 22 C VAL A 2 -6.607 6.596 -6.632 1.00 0.00 C ATOM 23 O VAL A 2 -6.928 5.737 -7.427 1.00 0.00 O ATOM 24 CB VAL A 2 -8.916 6.854 -5.674 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.588 5.793 -4.623 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.916 7.856 -5.091 1.00 0.00 C ATOM 0 HA VAL A 2 -7.175 8.093 -5.231 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.351 6.374 -6.551 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.501 5.271 -4.335 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.877 5.078 -5.037 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.152 6.272 -3.746 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.828 7.334 -4.803 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.481 8.336 -4.215 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.152 8.612 -5.840 1.00 0.00 H new ATOM 36 N LYS A 3 -5.371 6.712 -6.226 1.00 0.00 N ATOM 37 CA LYS A 3 -4.334 5.775 -6.744 1.00 0.00 C ATOM 38 C LYS A 3 -3.364 5.359 -5.633 1.00 0.00 C ATOM 39 O LYS A 3 -2.915 6.169 -4.848 1.00 0.00 O ATOM 40 CB LYS A 3 -3.598 6.561 -7.835 1.00 0.00 C ATOM 41 CG LYS A 3 -3.098 7.895 -7.275 1.00 0.00 C ATOM 42 CD LYS A 3 -2.061 8.493 -8.230 1.00 0.00 C ATOM 43 CE LYS A 3 -0.893 7.516 -8.395 1.00 0.00 C ATOM 44 NZ LYS A 3 0.198 8.317 -9.015 1.00 0.00 N ATOM 0 H LYS A 3 -5.036 7.411 -5.562 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.776 4.855 -7.126 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.758 5.977 -8.210 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.265 6.739 -8.679 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.933 8.585 -7.149 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.657 7.746 -6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.518 8.697 -9.198 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.700 9.445 -7.841 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.583 7.106 -7.434 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.171 6.673 -9.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.033 7.714 -9.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.122 8.689 -9.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.447 9.109 -8.388 1.00 0.00 H new ATOM 58 N ILE A 4 -3.022 4.099 -5.575 1.00 0.00 N ATOM 59 CA ILE A 4 -2.068 3.635 -4.536 1.00 0.00 C ATOM 60 C ILE A 4 -0.678 3.501 -5.160 1.00 0.00 C ATOM 61 O ILE A 4 -0.520 2.956 -6.233 1.00 0.00 O ATOM 62 CB ILE A 4 -2.588 2.284 -4.057 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.918 2.478 -3.329 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.575 1.651 -3.099 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.519 1.111 -3.008 1.00 0.00 C ATOM 0 H ILE A 4 -3.365 3.373 -6.205 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.989 4.331 -3.701 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.733 1.630 -4.917 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.764 3.046 -2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.605 3.054 -3.949 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.950 0.686 -2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.625 1.510 -3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.428 2.306 -2.240 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.468 1.244 -2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.686 0.560 -3.934 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.832 0.552 -2.372 1.00 0.00 H new ATOM 77 N ARG A 5 0.327 4.006 -4.507 1.00 0.00 N ATOM 78 CA ARG A 5 1.696 3.919 -5.077 1.00 0.00 C ATOM 79 C ARG A 5 2.736 3.875 -3.959 1.00 0.00 C ATOM 80 O ARG A 5 2.416 4.044 -2.803 1.00 0.00 O ATOM 81 CB ARG A 5 1.861 5.189 -5.916 1.00 0.00 C ATOM 82 CG ARG A 5 1.527 6.418 -5.067 1.00 0.00 C ATOM 83 CD ARG A 5 2.750 7.333 -4.981 1.00 0.00 C ATOM 84 NE ARG A 5 2.265 8.554 -4.274 1.00 0.00 N ATOM 85 CZ ARG A 5 2.975 9.657 -4.269 1.00 0.00 C ATOM 86 NH1 ARG A 5 4.126 9.720 -4.893 1.00 0.00 N ATOM 87 NH2 ARG A 5 2.528 10.706 -3.635 1.00 0.00 N ATOM 0 H ARG A 5 0.260 4.475 -3.604 1.00 0.00 H new ATOM 0 HA ARG A 5 1.836 3.017 -5.673 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.883 5.260 -6.288 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.207 5.148 -6.787 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.687 6.957 -5.505 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.221 6.109 -4.068 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.563 6.856 -4.434 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.133 7.576 -5.972 1.00 0.00 H new ATOM 0 HE ARG A 5 1.369 8.531 -3.788 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.481 8.904 -5.392 1.00 0.00 H new ATOM 0 HH12 ARG A 5 4.667 10.585 -4.880 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.633 10.665 -3.148 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.074 11.568 -3.626 1.00 0.00 H new ATOM 101 N LEU A 6 3.982 3.674 -4.294 1.00 0.00 N ATOM 102 CA LEU A 6 5.030 3.639 -3.230 1.00 0.00 C ATOM 103 C LEU A 6 5.534 5.065 -2.975 1.00 0.00 C ATOM 104 O LEU A 6 5.921 5.776 -3.881 1.00 0.00 O ATOM 105 CB LEU A 6 6.146 2.718 -3.752 1.00 0.00 C ATOM 106 CG LEU A 6 6.714 3.229 -5.080 1.00 0.00 C ATOM 107 CD1 LEU A 6 7.900 4.156 -4.808 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.187 2.036 -5.915 1.00 0.00 C ATOM 0 H LEU A 6 4.318 3.534 -5.247 1.00 0.00 H new ATOM 0 HA LEU A 6 4.652 3.259 -2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.944 2.656 -3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.755 1.709 -3.885 1.00 0.00 H new ATOM 0 HG LEU A 6 5.942 3.777 -5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.303 4.519 -5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.570 5.002 -4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.674 3.608 -4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.593 2.393 -6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.960 1.494 -5.370 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.346 1.371 -6.108 1.00 0.00 H new ATOM 120 N ALA A 7 5.468 5.502 -1.741 1.00 0.00 N ATOM 121 CA ALA A 7 5.866 6.899 -1.396 1.00 0.00 C ATOM 122 C ALA A 7 7.280 6.978 -0.818 1.00 0.00 C ATOM 123 O ALA A 7 7.535 6.531 0.273 1.00 0.00 O ATOM 124 CB ALA A 7 4.860 7.286 -0.321 1.00 0.00 C ATOM 0 H ALA A 7 5.151 4.942 -0.950 1.00 0.00 H new ATOM 0 HA ALA A 7 5.869 7.546 -2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.057 8.305 0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.851 7.227 -0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.950 6.604 0.524 1.00 0.00 H new ATOM 130 N ARG A 8 8.194 7.567 -1.535 1.00 0.00 N ATOM 131 CA ARG A 8 9.586 7.686 -1.021 1.00 0.00 C ATOM 132 C ARG A 8 9.679 8.725 0.105 1.00 0.00 C ATOM 133 O ARG A 8 9.354 9.882 -0.078 1.00 0.00 O ATOM 134 CB ARG A 8 10.401 8.160 -2.223 1.00 0.00 C ATOM 135 CG ARG A 8 11.892 7.951 -1.947 1.00 0.00 C ATOM 136 CD ARG A 8 12.698 8.302 -3.200 1.00 0.00 C ATOM 137 NE ARG A 8 13.510 9.491 -2.810 1.00 0.00 N ATOM 138 CZ ARG A 8 14.305 10.078 -3.672 1.00 0.00 C ATOM 139 NH1 ARG A 8 14.410 9.638 -4.902 1.00 0.00 N ATOM 140 NH2 ARG A 8 15.000 11.115 -3.295 1.00 0.00 N ATOM 0 H ARG A 8 8.037 7.972 -2.458 1.00 0.00 H new ATOM 0 HA ARG A 8 9.941 6.742 -0.606 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.105 7.609 -3.116 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.201 9.214 -2.418 1.00 0.00 H new ATOM 0 HG2 ARG A 8 12.209 8.575 -1.111 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.078 6.916 -1.660 1.00 0.00 H new ATOM 0 HD2 ARG A 8 13.334 7.472 -3.507 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.043 8.529 -4.041 1.00 0.00 H new ATOM 0 HE ARG A 8 13.446 9.853 -1.859 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.869 8.827 -5.202 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.033 10.106 -5.560 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.922 11.461 -2.339 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.622 11.580 -3.956 1.00 0.00 H new ATOM 276 N TYR A 17 9.470 2.884 0.911 1.00 0.00 N ATOM 277 CA TYR A 17 8.333 3.687 0.428 1.00 0.00 C ATOM 278 C TYR A 17 7.060 3.082 0.974 1.00 0.00 C ATOM 279 O TYR A 17 7.008 1.901 1.246 1.00 0.00 O ATOM 280 CB TYR A 17 8.319 3.540 -1.091 1.00 0.00 C ATOM 281 CG TYR A 17 9.659 3.865 -1.704 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.757 3.026 -1.491 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.789 4.994 -2.517 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.987 3.321 -2.082 1.00 0.00 C ATOM 285 CE2 TYR A 17 11.019 5.287 -3.114 1.00 0.00 C ATOM 286 CZ TYR A 17 12.120 4.452 -2.895 1.00 0.00 C ATOM 287 OH TYR A 17 13.334 4.741 -3.482 1.00 0.00 O ATOM 0 HA TYR A 17 8.413 4.730 0.735 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.038 2.520 -1.354 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.559 4.198 -1.512 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.654 2.149 -0.869 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.940 5.640 -2.684 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.836 2.676 -1.912 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.119 6.158 -3.744 1.00 0.00 H new ATOM 0 HH TYR A 17 13.204 5.404 -4.192 1.00 0.00 H new ATOM 297 N ARG A 18 6.025 3.847 1.116 1.00 0.00 N ATOM 298 CA ARG A 18 4.775 3.246 1.610 1.00 0.00 C ATOM 299 C ARG A 18 3.836 3.063 0.437 1.00 0.00 C ATOM 300 O ARG A 18 3.822 3.856 -0.479 1.00 0.00 O ATOM 301 CB ARG A 18 4.199 4.216 2.633 1.00 0.00 C ATOM 302 CG ARG A 18 3.397 3.430 3.655 1.00 0.00 C ATOM 303 CD ARG A 18 3.036 4.336 4.832 1.00 0.00 C ATOM 304 NE ARG A 18 4.233 4.302 5.720 1.00 0.00 N ATOM 305 CZ ARG A 18 4.250 4.962 6.854 1.00 0.00 C ATOM 306 NH1 ARG A 18 3.218 5.672 7.236 1.00 0.00 N ATOM 307 NH2 ARG A 18 5.311 4.911 7.613 1.00 0.00 N ATOM 0 H ARG A 18 5.992 4.846 0.914 1.00 0.00 H new ATOM 0 HA ARG A 18 4.933 2.272 2.073 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.001 4.766 3.125 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.564 4.952 2.140 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.491 3.036 3.195 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.975 2.575 4.005 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.820 5.351 4.498 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.148 3.975 5.351 1.00 0.00 H new ATOM 0 HE ARG A 18 5.050 3.758 5.442 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.385 5.718 6.649 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.247 6.179 8.120 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.119 4.361 7.323 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.332 5.421 8.496 1.00 0.00 H new ATOM 321 N ILE A 19 3.021 2.058 0.471 1.00 0.00 N ATOM 322 CA ILE A 19 2.067 1.871 -0.635 1.00 0.00 C ATOM 323 C ILE A 19 0.805 2.505 -0.097 1.00 0.00 C ATOM 324 O ILE A 19 -0.064 1.876 0.472 1.00 0.00 O ATOM 325 CB ILE A 19 1.931 0.360 -0.888 1.00 0.00 C ATOM 326 CG1 ILE A 19 3.179 -0.418 -0.420 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.779 0.120 -2.387 1.00 0.00 C ATOM 328 CD1 ILE A 19 2.993 -1.910 -0.704 1.00 0.00 C ATOM 0 H ILE A 19 2.976 1.362 1.215 1.00 0.00 H new ATOM 0 HA ILE A 19 2.347 2.313 -1.591 1.00 0.00 H new ATOM 0 HB ILE A 19 1.063 0.011 -0.328 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.065 -0.047 -0.936 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.340 -0.258 0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.682 -0.949 -2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.889 0.635 -2.750 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.657 0.502 -2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.876 -2.456 -0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.117 -2.276 -0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.853 -2.062 -1.774 1.00 0.00 H new ATOM 340 N VAL A 20 0.807 3.801 -0.183 1.00 0.00 N ATOM 341 CA VAL A 20 -0.259 4.630 0.406 1.00 0.00 C ATOM 342 C VAL A 20 -1.304 5.019 -0.645 1.00 0.00 C ATOM 343 O VAL A 20 -1.091 4.887 -1.834 1.00 0.00 O ATOM 344 CB VAL A 20 0.562 5.824 0.953 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.435 7.077 0.079 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.137 6.143 2.378 1.00 0.00 C ATOM 0 H VAL A 20 1.536 4.334 -0.657 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.859 4.145 1.175 1.00 0.00 H new ATOM 0 HB VAL A 20 1.610 5.523 0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.030 7.882 0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.794 6.857 -0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.610 7.384 0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.721 6.984 2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.922 6.401 2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.307 5.273 3.012 1.00 0.00 H new ATOM 356 N VAL A 21 -2.450 5.452 -0.203 1.00 0.00 N ATOM 357 CA VAL A 21 -3.534 5.797 -1.155 1.00 0.00 C ATOM 358 C VAL A 21 -3.771 7.309 -1.171 1.00 0.00 C ATOM 359 O VAL A 21 -4.275 7.878 -0.223 1.00 0.00 O ATOM 360 CB VAL A 21 -4.808 5.074 -0.654 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.613 4.616 -1.867 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.509 3.828 0.214 1.00 0.00 C ATOM 0 H VAL A 21 -2.681 5.582 0.782 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.272 5.491 -2.168 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.352 5.785 -0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.515 4.104 -1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.889 5.482 -2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.010 3.934 -2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.447 3.371 0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.933 3.109 -0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.936 4.125 1.092 1.00 0.00 H new ATOM 372 N THR A 22 -3.418 7.964 -2.244 1.00 0.00 N ATOM 373 CA THR A 22 -3.633 9.440 -2.321 1.00 0.00 C ATOM 374 C THR A 22 -4.114 9.836 -3.719 1.00 0.00 C ATOM 375 O THR A 22 -4.368 8.999 -4.562 1.00 0.00 O ATOM 376 CB THR A 22 -2.271 10.078 -2.029 1.00 0.00 C ATOM 377 OG1 THR A 22 -2.325 11.461 -2.349 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.179 9.407 -2.867 1.00 0.00 C ATOM 0 H THR A 22 -2.991 7.543 -3.069 1.00 0.00 H new ATOM 0 HA THR A 22 -4.392 9.771 -1.612 1.00 0.00 H new ATOM 0 HB THR A 22 -2.036 9.948 -0.973 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.456 11.874 -2.162 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.217 9.870 -2.649 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.134 8.346 -2.623 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.408 9.527 -3.926 1.00 0.00 H new ATOM 543 N TYR A 32 -2.172 11.511 1.969 1.00 0.00 N ATOM 544 CA TYR A 32 -3.016 10.393 1.445 1.00 0.00 C ATOM 545 C TYR A 32 -4.234 10.176 2.345 1.00 0.00 C ATOM 546 O TYR A 32 -4.169 10.338 3.547 1.00 0.00 O ATOM 547 CB TYR A 32 -2.124 9.141 1.456 1.00 0.00 C ATOM 548 CG TYR A 32 -1.431 9.002 2.794 1.00 0.00 C ATOM 549 CD1 TYR A 32 -2.078 8.363 3.857 1.00 0.00 C ATOM 550 CD2 TYR A 32 -0.137 9.510 2.966 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.433 8.234 5.093 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.508 9.380 4.203 1.00 0.00 C ATOM 553 CZ TYR A 32 -0.139 8.742 5.266 1.00 0.00 C ATOM 554 OH TYR A 32 0.496 8.615 6.485 1.00 0.00 O ATOM 0 HA TYR A 32 -3.385 10.614 0.443 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.727 8.255 1.257 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.383 9.207 0.660 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.075 7.969 3.724 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.364 10.002 2.145 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.934 7.742 5.914 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.505 9.773 4.336 1.00 0.00 H new ATOM 0 HH TYR A 32 1.387 9.020 6.434 1.00 0.00 H new ATOM 564 N ILE A 33 -5.342 9.799 1.768 1.00 0.00 N ATOM 565 CA ILE A 33 -6.566 9.559 2.582 1.00 0.00 C ATOM 566 C ILE A 33 -6.284 8.470 3.627 1.00 0.00 C ATOM 567 O ILE A 33 -6.767 8.524 4.740 1.00 0.00 O ATOM 568 CB ILE A 33 -7.624 9.114 1.553 1.00 0.00 C ATOM 569 CG1 ILE A 33 -8.289 10.356 0.954 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.701 8.238 2.208 1.00 0.00 C ATOM 571 CD1 ILE A 33 -8.147 10.329 -0.568 1.00 0.00 C ATOM 0 H ILE A 33 -5.452 9.647 0.765 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.900 10.434 3.140 1.00 0.00 H new ATOM 0 HB ILE A 33 -7.128 8.530 0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -9.343 10.386 1.231 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.828 11.258 1.357 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.433 7.940 1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.237 7.349 2.636 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.199 8.802 2.997 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -8.621 11.214 -0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -7.090 10.320 -0.835 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.629 9.434 -0.963 1.00 0.00 H new ATOM 583 N GLU A 34 -5.507 7.485 3.274 1.00 0.00 N ATOM 584 CA GLU A 34 -5.199 6.398 4.244 1.00 0.00 C ATOM 585 C GLU A 34 -4.097 5.495 3.688 1.00 0.00 C ATOM 586 O GLU A 34 -4.085 5.162 2.520 1.00 0.00 O ATOM 587 CB GLU A 34 -6.507 5.620 4.395 1.00 0.00 C ATOM 588 CG GLU A 34 -6.322 4.510 5.433 1.00 0.00 C ATOM 589 CD GLU A 34 -7.541 4.463 6.357 1.00 0.00 C ATOM 590 OE1 GLU A 34 -8.647 4.399 5.845 1.00 0.00 O ATOM 591 OE2 GLU A 34 -7.348 4.492 7.561 1.00 0.00 O ATOM 0 H GLU A 34 -5.072 7.386 2.357 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.843 6.783 5.200 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.309 6.291 4.703 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.801 5.192 3.437 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.194 3.549 4.934 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.418 4.690 6.015 1.00 0.00 H new ATOM 598 N LYS A 35 -3.172 5.094 4.516 1.00 0.00 N ATOM 599 CA LYS A 35 -2.075 4.209 4.033 1.00 0.00 C ATOM 600 C LYS A 35 -2.493 2.744 4.184 1.00 0.00 C ATOM 601 O LYS A 35 -3.025 2.345 5.202 1.00 0.00 O ATOM 602 CB LYS A 35 -0.880 4.531 4.934 1.00 0.00 C ATOM 603 CG LYS A 35 -1.215 4.167 6.382 1.00 0.00 C ATOM 604 CD LYS A 35 -0.841 5.328 7.308 1.00 0.00 C ATOM 605 CE LYS A 35 -2.044 5.689 8.180 1.00 0.00 C ATOM 606 NZ LYS A 35 -1.743 7.047 8.711 1.00 0.00 N ATOM 0 H LYS A 35 -3.128 5.341 5.505 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.837 4.368 2.981 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.002 3.976 4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.633 5.590 4.863 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.278 3.944 6.474 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.674 3.267 6.675 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.006 5.049 7.935 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.532 6.192 6.720 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.966 5.688 7.599 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.175 4.970 8.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.525 7.363 9.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.863 7.016 9.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.630 7.712 7.919 1.00 0.00 H new ATOM 620 N ILE A 36 -2.270 1.940 3.182 1.00 0.00 N ATOM 621 CA ILE A 36 -2.675 0.505 3.289 1.00 0.00 C ATOM 622 C ILE A 36 -1.496 -0.423 3.041 1.00 0.00 C ATOM 623 O ILE A 36 -1.501 -1.559 3.472 1.00 0.00 O ATOM 624 CB ILE A 36 -3.787 0.311 2.251 1.00 0.00 C ATOM 625 CG1 ILE A 36 -3.308 0.707 0.845 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.973 1.195 2.636 1.00 0.00 C ATOM 627 CD1 ILE A 36 -2.387 -0.370 0.275 1.00 0.00 C ATOM 0 H ILE A 36 -1.830 2.208 2.302 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.028 0.260 4.291 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.072 -0.741 2.236 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.166 0.847 0.187 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.781 1.660 0.888 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.773 1.068 1.907 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.334 0.909 3.624 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.659 2.239 2.652 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.056 -0.076 -0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.520 -0.489 0.925 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.927 -1.315 0.213 1.00 0.00 H new ATOM 639 N GLY A 37 -0.487 0.032 2.360 1.00 0.00 N ATOM 640 CA GLY A 37 0.664 -0.860 2.113 1.00 0.00 C ATOM 641 C GLY A 37 1.960 -0.224 2.598 1.00 0.00 C ATOM 642 O GLY A 37 2.054 0.969 2.798 1.00 0.00 O ATOM 0 H GLY A 37 -0.412 0.971 1.970 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.508 -1.811 2.623 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.738 -1.078 1.048 1.00 0.00 H new ATOM 646 N TYR A 38 2.971 -1.029 2.752 1.00 0.00 N ATOM 647 CA TYR A 38 4.299 -0.519 3.186 1.00 0.00 C ATOM 648 C TYR A 38 5.371 -1.202 2.336 1.00 0.00 C ATOM 649 O TYR A 38 5.294 -2.388 2.081 1.00 0.00 O ATOM 650 CB TYR A 38 4.431 -0.921 4.656 1.00 0.00 C ATOM 651 CG TYR A 38 5.779 -0.484 5.180 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.086 0.879 5.277 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.722 -1.443 5.571 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.335 1.283 5.764 1.00 0.00 C ATOM 655 CE2 TYR A 38 7.973 -1.038 6.057 1.00 0.00 C ATOM 656 CZ TYR A 38 8.278 0.325 6.154 1.00 0.00 C ATOM 657 OH TYR A 38 9.510 0.723 6.633 1.00 0.00 O ATOM 0 H TYR A 38 2.933 -2.036 2.593 1.00 0.00 H new ATOM 0 HA TYR A 38 4.407 0.559 3.070 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.635 -0.462 5.242 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.321 -2.000 4.760 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.359 1.619 4.976 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.485 -2.494 5.498 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.571 2.334 5.839 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.701 -1.777 6.356 1.00 0.00 H new ATOM 0 HH TYR A 38 10.206 0.134 6.274 1.00 0.00 H new ATOM 667 N TYR A 39 6.360 -0.483 1.886 1.00 0.00 N ATOM 668 CA TYR A 39 7.407 -1.134 1.048 1.00 0.00 C ATOM 669 C TYR A 39 8.801 -0.760 1.571 1.00 0.00 C ATOM 670 O TYR A 39 9.103 0.402 1.761 1.00 0.00 O ATOM 671 CB TYR A 39 7.201 -0.585 -0.371 1.00 0.00 C ATOM 672 CG TYR A 39 8.272 -1.125 -1.303 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.840 -2.387 -1.077 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.691 -0.362 -2.399 1.00 0.00 C ATOM 675 CE1 TYR A 39 9.823 -2.881 -1.941 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.673 -0.858 -3.266 1.00 0.00 C ATOM 677 CZ TYR A 39 10.238 -2.117 -3.036 1.00 0.00 C ATOM 678 OH TYR A 39 11.202 -2.606 -3.894 1.00 0.00 O ATOM 0 H TYR A 39 6.490 0.514 2.058 1.00 0.00 H new ATOM 0 HA TYR A 39 7.332 -2.221 1.070 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.214 -0.866 -0.738 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.237 0.504 -0.356 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.518 -2.979 -0.233 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.256 0.611 -2.577 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.261 -3.852 -1.762 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.994 -0.268 -4.112 1.00 0.00 H new ATOM 0 HH TYR A 39 11.373 -1.950 -4.602 1.00 0.00 H new ATOM 688 N ASP A 40 9.651 -1.721 1.812 1.00 0.00 N ATOM 689 CA ASP A 40 11.014 -1.389 2.329 1.00 0.00 C ATOM 690 C ASP A 40 12.079 -2.277 1.672 1.00 0.00 C ATOM 691 O ASP A 40 12.573 -3.201 2.284 1.00 0.00 O ATOM 692 CB ASP A 40 10.939 -1.665 3.831 1.00 0.00 C ATOM 693 CG ASP A 40 11.929 -0.760 4.567 1.00 0.00 C ATOM 694 OD1 ASP A 40 12.924 -0.391 3.966 1.00 0.00 O ATOM 695 OD2 ASP A 40 11.674 -0.451 5.719 1.00 0.00 O ATOM 0 H ASP A 40 9.465 -2.715 1.675 1.00 0.00 H new ATOM 0 HA ASP A 40 11.294 -0.359 2.110 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.927 -1.486 4.194 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.169 -2.712 4.031 1.00 0.00 H new ATOM 838 N LEU A 49 7.984 -6.535 2.040 1.00 0.00 N ATOM 839 CA LEU A 49 6.616 -6.132 1.603 1.00 0.00 C ATOM 840 C LEU A 49 5.607 -6.369 2.729 1.00 0.00 C ATOM 841 O LEU A 49 5.358 -7.490 3.128 1.00 0.00 O ATOM 842 CB LEU A 49 6.311 -7.047 0.419 1.00 0.00 C ATOM 843 CG LEU A 49 5.139 -6.492 -0.387 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.371 -6.782 -1.867 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.842 -7.167 0.068 1.00 0.00 C ATOM 0 HA LEU A 49 6.556 -5.076 1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.191 -7.135 -0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.074 -8.049 0.776 1.00 0.00 H new ATOM 0 HG LEU A 49 5.060 -5.416 -0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.538 -6.389 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.297 -6.306 -2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.444 -7.859 -2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.005 -6.771 -0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.916 -8.243 -0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.681 -6.968 1.128 1.00 0.00 H new ATOM 857 N LYS A 50 5.023 -5.325 3.241 1.00 0.00 N ATOM 858 CA LYS A 50 4.028 -5.490 4.339 1.00 0.00 C ATOM 859 C LYS A 50 2.758 -4.699 4.014 1.00 0.00 C ATOM 860 O LYS A 50 2.638 -3.539 4.353 1.00 0.00 O ATOM 861 CB LYS A 50 4.719 -4.920 5.578 1.00 0.00 C ATOM 862 CG LYS A 50 4.188 -5.620 6.831 1.00 0.00 C ATOM 863 CD LYS A 50 5.000 -5.171 8.048 1.00 0.00 C ATOM 864 CE LYS A 50 4.138 -5.285 9.308 1.00 0.00 C ATOM 865 NZ LYS A 50 4.882 -4.532 10.356 1.00 0.00 N ATOM 0 H LYS A 50 5.190 -4.362 2.948 1.00 0.00 H new ATOM 0 HA LYS A 50 3.727 -6.528 4.483 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.797 -5.059 5.501 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.540 -3.847 5.645 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.134 -5.381 6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.257 -6.701 6.713 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.894 -5.787 8.149 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.335 -4.142 7.916 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.147 -4.862 9.147 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.997 -6.327 9.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.352 -4.566 11.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.819 -4.962 10.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.995 -3.542 10.058 1.00 0.00 H new ATOM 879 N VAL A 51 1.809 -5.310 3.354 1.00 0.00 N ATOM 880 CA VAL A 51 0.561 -4.569 3.013 1.00 0.00 C ATOM 881 C VAL A 51 -0.648 -5.180 3.716 1.00 0.00 C ATOM 882 O VAL A 51 -0.822 -6.381 3.759 1.00 0.00 O ATOM 883 CB VAL A 51 0.414 -4.684 1.473 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.063 -4.785 1.044 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.993 -3.441 0.819 1.00 0.00 C ATOM 0 H VAL A 51 1.844 -6.280 3.040 1.00 0.00 H new ATOM 0 HA VAL A 51 0.614 -3.530 3.338 1.00 0.00 H new ATOM 0 HB VAL A 51 0.941 -5.587 1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.122 -4.864 -0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.514 -5.668 1.497 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.599 -3.895 1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.891 -3.519 -0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.456 -2.561 1.172 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.048 -3.351 1.079 1.00 0.00 H new ATOM 895 N ASP A 52 -1.520 -4.347 4.189 1.00 0.00 N ATOM 896 CA ASP A 52 -2.761 -4.859 4.802 1.00 0.00 C ATOM 897 C ASP A 52 -3.739 -5.072 3.652 1.00 0.00 C ATOM 898 O ASP A 52 -4.657 -4.300 3.467 1.00 0.00 O ATOM 899 CB ASP A 52 -3.239 -3.747 5.739 1.00 0.00 C ATOM 900 CG ASP A 52 -4.112 -4.350 6.841 1.00 0.00 C ATOM 901 OD1 ASP A 52 -3.699 -5.339 7.422 1.00 0.00 O ATOM 902 OD2 ASP A 52 -5.179 -3.810 7.086 1.00 0.00 O ATOM 0 H ASP A 52 -1.425 -3.331 4.177 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.648 -5.790 5.358 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.383 -3.234 6.178 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.804 -3.002 5.179 1.00 0.00 H new ATOM 907 N VAL A 53 -3.495 -6.085 2.842 1.00 0.00 N ATOM 908 CA VAL A 53 -4.359 -6.356 1.637 1.00 0.00 C ATOM 909 C VAL A 53 -5.832 -6.011 1.910 1.00 0.00 C ATOM 910 O VAL A 53 -6.536 -5.584 1.024 1.00 0.00 O ATOM 911 CB VAL A 53 -4.147 -7.854 1.258 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.865 -8.715 2.490 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.380 -8.414 0.532 1.00 0.00 C ATOM 0 H VAL A 53 -2.725 -6.743 2.966 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.074 -5.720 0.798 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.281 -7.892 0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.723 -9.752 2.185 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.963 -8.356 2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.708 -8.652 3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.209 -9.460 0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.251 -8.337 1.182 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.556 -7.843 -0.380 1.00 0.00 H new ATOM 923 N GLU A 54 -6.294 -6.150 3.121 1.00 0.00 N ATOM 924 CA GLU A 54 -7.705 -5.779 3.401 1.00 0.00 C ATOM 925 C GLU A 54 -7.886 -4.283 3.139 1.00 0.00 C ATOM 926 O GLU A 54 -8.779 -3.866 2.428 1.00 0.00 O ATOM 927 CB GLU A 54 -7.927 -6.110 4.877 1.00 0.00 C ATOM 928 CG GLU A 54 -9.354 -6.626 5.079 1.00 0.00 C ATOM 929 CD GLU A 54 -9.573 -6.950 6.558 1.00 0.00 C ATOM 930 OE1 GLU A 54 -9.106 -6.188 7.387 1.00 0.00 O ATOM 931 OE2 GLU A 54 -10.203 -7.958 6.835 1.00 0.00 O ATOM 0 H GLU A 54 -5.763 -6.500 3.918 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.418 -6.311 2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.208 -6.862 5.204 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.760 -5.223 5.488 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.073 -5.877 4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.520 -7.516 4.472 1.00 0.00 H new ATOM 938 N ARG A 55 -7.022 -3.476 3.687 1.00 0.00 N ATOM 939 CA ARG A 55 -7.108 -2.010 3.458 1.00 0.00 C ATOM 940 C ARG A 55 -6.599 -1.698 2.047 1.00 0.00 C ATOM 941 O ARG A 55 -7.117 -0.842 1.353 1.00 0.00 O ATOM 942 CB ARG A 55 -6.190 -1.394 4.518 1.00 0.00 C ATOM 943 CG ARG A 55 -7.034 -0.691 5.583 1.00 0.00 C ATOM 944 CD ARG A 55 -7.491 0.670 5.055 1.00 0.00 C ATOM 945 NE ARG A 55 -8.848 0.423 4.490 1.00 0.00 N ATOM 946 CZ ARG A 55 -9.887 0.283 5.280 1.00 0.00 C ATOM 947 NH1 ARG A 55 -9.758 0.352 6.582 1.00 0.00 N ATOM 948 NH2 ARG A 55 -11.066 0.072 4.762 1.00 0.00 N ATOM 0 H ARG A 55 -6.254 -3.773 4.289 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.123 -1.620 3.535 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.578 -2.170 4.978 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.507 -0.683 4.053 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.899 -1.303 5.839 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.453 -0.562 6.496 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.524 1.413 5.852 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.809 1.049 4.294 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.971 0.362 3.479 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.840 0.517 6.996 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.575 0.241 7.182 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.176 0.017 3.749 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.878 -0.038 5.370 1.00 0.00 H new ATOM 962 N ALA A 56 -5.603 -2.414 1.605 1.00 0.00 N ATOM 963 CA ALA A 56 -5.082 -2.193 0.238 1.00 0.00 C ATOM 964 C ALA A 56 -6.140 -2.673 -0.759 1.00 0.00 C ATOM 965 O ALA A 56 -6.160 -2.268 -1.905 1.00 0.00 O ATOM 966 CB ALA A 56 -3.797 -3.027 0.165 1.00 0.00 C ATOM 0 H ALA A 56 -5.129 -3.144 2.137 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.869 -1.150 0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.347 -2.917 -0.822 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.095 -2.681 0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.034 -4.076 0.341 1.00 0.00 H new ATOM 972 N ARG A 57 -7.047 -3.519 -0.318 1.00 0.00 N ATOM 973 CA ARG A 57 -8.122 -3.999 -1.221 1.00 0.00 C ATOM 974 C ARG A 57 -9.280 -2.995 -1.205 1.00 0.00 C ATOM 975 O ARG A 57 -10.035 -2.882 -2.150 1.00 0.00 O ATOM 976 CB ARG A 57 -8.564 -5.349 -0.652 1.00 0.00 C ATOM 977 CG ARG A 57 -9.770 -5.882 -1.433 1.00 0.00 C ATOM 978 CD ARG A 57 -9.284 -6.702 -2.629 1.00 0.00 C ATOM 979 NE ARG A 57 -10.480 -7.475 -3.073 1.00 0.00 N ATOM 980 CZ ARG A 57 -10.513 -8.043 -4.256 1.00 0.00 C ATOM 981 NH1 ARG A 57 -9.496 -7.952 -5.077 1.00 0.00 N ATOM 982 NH2 ARG A 57 -11.575 -8.708 -4.622 1.00 0.00 N ATOM 0 H ARG A 57 -7.080 -3.892 0.631 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.789 -4.099 -2.254 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.742 -6.062 -0.707 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.822 -5.241 0.401 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.392 -6.499 -0.785 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.390 -5.053 -1.775 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.912 -6.057 -3.425 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.466 -7.366 -2.348 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.282 -7.563 -2.449 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.662 -7.434 -4.800 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.538 -8.399 -5.993 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.372 -8.784 -3.990 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.608 -9.152 -5.540 1.00 0.00 H new ATOM 996 N TYR A 58 -9.402 -2.247 -0.139 1.00 0.00 N ATOM 997 CA TYR A 58 -10.478 -1.224 -0.052 1.00 0.00 C ATOM 998 C TYR A 58 -10.271 -0.250 -1.186 1.00 0.00 C ATOM 999 O TYR A 58 -11.179 0.164 -1.882 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.219 -0.526 1.284 1.00 0.00 C ATOM 1001 CG TYR A 58 -11.024 0.754 1.390 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.340 0.798 0.918 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.446 1.898 1.960 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -13.081 1.982 1.015 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -11.188 3.081 2.057 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.505 3.123 1.586 1.00 0.00 C ATOM 1007 OH TYR A 58 -13.234 4.290 1.682 1.00 0.00 O ATOM 0 H TYR A 58 -8.796 -2.304 0.679 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.488 -1.630 -0.114 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.481 -1.194 2.105 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.157 -0.302 1.382 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.785 -0.082 0.478 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.430 1.866 2.324 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -14.097 2.015 0.649 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.744 3.962 2.496 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.686 4.984 2.104 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.049 0.120 -1.342 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.676 1.084 -2.392 1.00 0.00 C ATOM 1019 C TRP A 59 -8.852 0.460 -3.765 1.00 0.00 C ATOM 1020 O TRP A 59 -9.558 0.975 -4.609 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.237 1.420 -2.060 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.308 2.170 -0.785 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.751 1.816 0.390 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.061 3.371 -0.542 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.092 2.766 1.342 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -7.906 3.748 0.806 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.848 4.165 -1.379 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.524 4.893 1.313 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.474 5.311 -0.880 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.314 5.678 0.462 1.00 0.00 C ATOM 0 H TRP A 59 -8.271 -0.212 -0.772 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.294 1.981 -2.421 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.634 0.518 -1.955 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.779 2.020 -2.847 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.142 0.941 0.562 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.782 2.743 2.313 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.974 3.892 -2.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.395 5.170 2.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.085 5.917 -1.533 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.799 6.565 0.841 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.261 -0.669 -3.982 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.448 -1.348 -5.287 1.00 0.00 C ATOM 1043 C LEU A 60 -9.949 -1.603 -5.493 1.00 0.00 C ATOM 1044 O LEU A 60 -10.408 -1.816 -6.598 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.684 -2.668 -5.172 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.193 -2.416 -5.403 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.426 -3.732 -5.270 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -5.984 -1.844 -6.807 1.00 0.00 C ATOM 0 H LEU A 60 -7.658 -1.153 -3.317 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.087 -0.761 -6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.841 -3.107 -4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.060 -3.383 -5.903 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.826 -1.706 -4.662 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.364 -3.552 -5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.574 -4.140 -4.270 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.793 -4.443 -6.010 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.922 -1.664 -6.972 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.351 -2.554 -7.548 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.530 -0.905 -6.902 1.00 0.00 H new ATOM 1060 N SER A 61 -10.718 -1.578 -4.426 1.00 0.00 N ATOM 1061 CA SER A 61 -12.181 -1.812 -4.552 1.00 0.00 C ATOM 1062 C SER A 61 -12.905 -0.520 -4.959 1.00 0.00 C ATOM 1063 O SER A 61 -13.986 -0.560 -5.512 1.00 0.00 O ATOM 1064 CB SER A 61 -12.635 -2.272 -3.167 1.00 0.00 C ATOM 1065 OG SER A 61 -12.401 -3.669 -3.037 1.00 0.00 O ATOM 0 H SER A 61 -10.388 -1.405 -3.477 1.00 0.00 H new ATOM 0 HA SER A 61 -12.409 -2.551 -5.321 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.093 -1.727 -2.394 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.694 -2.054 -3.027 1.00 0.00 H new ATOM 0 HG SER A 61 -11.438 -3.833 -2.953 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.323 0.626 -4.704 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.991 1.894 -5.097 1.00 0.00 C ATOM 1073 C VAL A 62 -12.397 2.393 -6.411 1.00 0.00 C ATOM 1074 O VAL A 62 -12.291 3.578 -6.656 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.708 2.894 -3.970 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -13.236 2.363 -2.635 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.203 3.123 -3.852 1.00 0.00 C ATOM 0 H VAL A 62 -11.419 0.733 -4.243 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.063 1.762 -5.242 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.211 3.831 -4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -13.026 3.086 -1.847 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.312 2.206 -2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.746 1.418 -2.400 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.005 3.834 -3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.708 2.178 -3.629 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.821 3.520 -4.792 1.00 0.00 H new ATOM 1087 N GLY A 63 -12.012 1.485 -7.257 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.422 1.875 -8.569 1.00 0.00 C ATOM 1089 C GLY A 63 -10.095 2.606 -8.346 1.00 0.00 C ATOM 1090 O GLY A 63 -9.749 3.514 -9.074 1.00 0.00 O ATOM 0 H GLY A 63 -12.080 0.480 -7.097 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.261 0.989 -9.183 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.115 2.518 -9.113 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.345 2.218 -7.348 1.00 0.00 N ATOM 1095 CA ALA A 64 -8.046 2.894 -7.091 1.00 0.00 C ATOM 1096 C ALA A 64 -7.041 2.539 -8.188 1.00 0.00 C ATOM 1097 O ALA A 64 -6.984 1.418 -8.650 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.576 2.355 -5.741 1.00 0.00 C ATOM 0 H ALA A 64 -9.578 1.463 -6.703 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.141 3.980 -7.084 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.620 2.809 -5.481 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.313 2.598 -4.976 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.460 1.273 -5.802 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.251 3.486 -8.608 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.249 3.203 -9.675 1.00 0.00 C ATOM 1106 C GLN A 65 -3.861 2.973 -9.056 1.00 0.00 C ATOM 1107 O GLN A 65 -3.226 3.908 -8.608 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.247 4.458 -10.549 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.801 4.117 -11.934 1.00 0.00 C ATOM 1110 CD GLN A 65 -7.291 4.464 -11.992 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -7.670 5.470 -12.556 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -8.155 3.666 -11.427 1.00 0.00 N ATOM 0 H GLN A 65 -6.255 4.445 -8.259 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.491 2.306 -10.245 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.852 5.238 -10.086 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.234 4.851 -10.637 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.258 4.671 -12.700 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.656 3.057 -12.144 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.835 2.821 -10.953 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.150 3.887 -11.459 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.429 1.734 -9.043 1.00 0.00 N ATOM 1122 CA PRO A 66 -2.103 1.405 -8.472 1.00 0.00 C ATOM 1123 C PRO A 66 -1.004 1.685 -9.502 1.00 0.00 C ATOM 1124 O PRO A 66 -1.181 1.466 -10.684 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.206 -0.087 -8.182 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.237 -0.613 -9.134 1.00 0.00 C ATOM 1127 CD PRO A 66 -4.120 0.541 -9.548 1.00 0.00 C ATOM 0 HA PRO A 66 -1.852 1.991 -7.587 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.246 -0.582 -8.331 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.500 -0.266 -7.148 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.759 -1.059 -10.006 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.829 -1.396 -8.660 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.240 0.580 -10.631 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.118 0.450 -9.120 1.00 0.00 H new ATOM 1135 N THR A 67 0.127 2.173 -9.070 1.00 0.00 N ATOM 1136 CA THR A 67 1.228 2.468 -10.037 1.00 0.00 C ATOM 1137 C THR A 67 1.717 1.177 -10.697 1.00 0.00 C ATOM 1138 O THR A 67 1.182 0.113 -10.469 1.00 0.00 O ATOM 1139 CB THR A 67 2.351 3.111 -9.213 1.00 0.00 C ATOM 1140 OG1 THR A 67 2.182 2.803 -7.834 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.318 4.626 -9.409 1.00 0.00 C ATOM 0 H THR A 67 0.338 2.380 -8.094 1.00 0.00 H new ATOM 0 HA THR A 67 0.893 3.129 -10.837 1.00 0.00 H new ATOM 0 HB THR A 67 3.312 2.719 -9.547 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.016 2.988 -7.353 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.115 5.086 -8.825 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.461 4.860 -10.464 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.355 5.015 -9.078 1.00 0.00 H new ATOM 1149 N ASP A 68 2.729 1.260 -11.518 1.00 0.00 N ATOM 1150 CA ASP A 68 3.243 0.034 -12.197 1.00 0.00 C ATOM 1151 C ASP A 68 4.115 -0.784 -11.239 1.00 0.00 C ATOM 1152 O ASP A 68 4.316 -1.967 -11.424 1.00 0.00 O ATOM 1153 CB ASP A 68 4.072 0.550 -13.373 1.00 0.00 C ATOM 1154 CG ASP A 68 3.331 0.272 -14.682 1.00 0.00 C ATOM 1155 OD1 ASP A 68 2.607 -0.709 -14.734 1.00 0.00 O ATOM 1156 OD2 ASP A 68 3.501 1.044 -15.612 1.00 0.00 O ATOM 0 H ASP A 68 3.222 2.123 -11.748 1.00 0.00 H new ATOM 0 HA ASP A 68 2.437 -0.623 -12.524 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.250 1.620 -13.264 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.047 0.064 -13.385 1.00 0.00 H new ATOM 1161 N THR A 69 4.634 -0.161 -10.218 1.00 0.00 N ATOM 1162 CA THR A 69 5.493 -0.899 -9.248 1.00 0.00 C ATOM 1163 C THR A 69 4.703 -1.227 -7.985 1.00 0.00 C ATOM 1164 O THR A 69 4.761 -2.326 -7.469 1.00 0.00 O ATOM 1165 CB THR A 69 6.610 0.065 -8.907 1.00 0.00 C ATOM 1166 OG1 THR A 69 7.181 0.583 -10.101 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.681 -0.649 -8.083 1.00 0.00 C ATOM 0 H THR A 69 4.501 0.829 -10.012 1.00 0.00 H new ATOM 0 HA THR A 69 5.859 -1.839 -9.661 1.00 0.00 H new ATOM 0 HB THR A 69 6.203 0.889 -8.321 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.902 1.207 -9.875 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.481 0.051 -7.842 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.239 -1.027 -7.161 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.088 -1.481 -8.658 1.00 0.00 H new ATOM 1175 N ALA A 70 3.961 -0.280 -7.483 1.00 0.00 N ATOM 1176 CA ALA A 70 3.172 -0.538 -6.260 1.00 0.00 C ATOM 1177 C ALA A 70 2.105 -1.565 -6.592 1.00 0.00 C ATOM 1178 O ALA A 70 1.700 -2.349 -5.759 1.00 0.00 O ATOM 1179 CB ALA A 70 2.543 0.801 -5.888 1.00 0.00 C ATOM 0 H ALA A 70 3.871 0.659 -7.871 1.00 0.00 H new ATOM 0 HA ALA A 70 3.770 -0.924 -5.435 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.942 0.683 -4.987 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.329 1.534 -5.706 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.908 1.144 -6.705 1.00 0.00 H new ATOM 1185 N ARG A 71 1.670 -1.590 -7.822 1.00 0.00 N ATOM 1186 CA ARG A 71 0.662 -2.588 -8.212 1.00 0.00 C ATOM 1187 C ARG A 71 1.306 -3.952 -8.066 1.00 0.00 C ATOM 1188 O ARG A 71 0.696 -4.902 -7.619 1.00 0.00 O ATOM 1189 CB ARG A 71 0.324 -2.291 -9.676 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.537 -3.416 -10.253 1.00 0.00 C ATOM 1191 CD ARG A 71 -0.846 -3.117 -11.721 1.00 0.00 C ATOM 1192 NE ARG A 71 -1.199 -4.436 -12.322 1.00 0.00 N ATOM 1193 CZ ARG A 71 -1.242 -4.590 -13.625 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -0.972 -3.594 -14.431 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -1.558 -5.754 -14.125 1.00 0.00 N ATOM 0 H ARG A 71 1.974 -0.960 -8.565 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.244 -2.560 -7.607 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.206 -1.342 -9.750 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.241 -2.190 -10.256 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.015 -4.369 -10.167 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.464 -3.507 -9.686 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.669 -2.409 -11.814 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.014 -2.673 -12.222 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.409 -5.227 -11.714 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.724 -2.682 -14.049 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.010 -3.731 -15.441 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.769 -6.535 -13.504 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.594 -5.882 -15.136 1.00 0.00 H new ATOM 1209 N ARG A 72 2.560 -4.041 -8.415 1.00 0.00 N ATOM 1210 CA ARG A 72 3.258 -5.334 -8.273 1.00 0.00 C ATOM 1211 C ARG A 72 3.281 -5.717 -6.797 1.00 0.00 C ATOM 1212 O ARG A 72 3.280 -6.878 -6.440 1.00 0.00 O ATOM 1213 CB ARG A 72 4.673 -5.097 -8.799 1.00 0.00 C ATOM 1214 CG ARG A 72 4.918 -5.991 -10.014 1.00 0.00 C ATOM 1215 CD ARG A 72 6.241 -5.605 -10.679 1.00 0.00 C ATOM 1216 NE ARG A 72 6.801 -6.886 -11.198 1.00 0.00 N ATOM 1217 CZ ARG A 72 8.063 -6.975 -11.546 1.00 0.00 C ATOM 1218 NH1 ARG A 72 8.867 -5.945 -11.442 1.00 0.00 N ATOM 1219 NH2 ARG A 72 8.526 -8.107 -12.000 1.00 0.00 N ATOM 0 H ARG A 72 3.122 -3.276 -8.789 1.00 0.00 H new ATOM 0 HA ARG A 72 2.773 -6.142 -8.820 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.801 -4.050 -9.072 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.404 -5.315 -8.020 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.945 -7.037 -9.709 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.098 -5.887 -10.725 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.083 -4.888 -11.485 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.920 -5.138 -9.965 1.00 0.00 H new ATOM 0 HE ARG A 72 6.196 -7.703 -11.283 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.514 -5.057 -11.086 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.845 -6.032 -11.717 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.908 -8.914 -12.082 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.506 -8.185 -12.273 1.00 0.00 H new ATOM 1233 N LEU A 73 3.295 -4.734 -5.941 1.00 0.00 N ATOM 1234 CA LEU A 73 3.309 -5.006 -4.488 1.00 0.00 C ATOM 1235 C LEU A 73 1.895 -5.294 -3.998 1.00 0.00 C ATOM 1236 O LEU A 73 1.696 -6.107 -3.119 1.00 0.00 O ATOM 1237 CB LEU A 73 3.872 -3.739 -3.851 1.00 0.00 C ATOM 1238 CG LEU A 73 5.265 -3.479 -4.421 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.724 -2.070 -4.041 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.242 -4.507 -3.852 1.00 0.00 C ATOM 0 H LEU A 73 3.297 -3.746 -6.194 1.00 0.00 H new ATOM 0 HA LEU A 73 3.910 -5.878 -4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.217 -2.892 -4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.922 -3.851 -2.768 1.00 0.00 H new ATOM 0 HG LEU A 73 5.235 -3.564 -5.507 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.718 -1.889 -4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.026 -1.338 -4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.756 -1.978 -2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.238 -4.325 -4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.270 -4.420 -2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.916 -5.510 -4.128 1.00 0.00 H new ATOM 1252 N LEU A 74 0.904 -4.668 -4.575 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.480 -4.970 -4.141 1.00 0.00 C ATOM 1254 C LEU A 74 -0.783 -6.408 -4.551 1.00 0.00 C ATOM 1255 O LEU A 74 -1.562 -7.102 -3.931 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.384 -3.984 -4.878 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.093 -2.572 -4.396 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -1.877 -1.571 -5.242 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -1.506 -2.434 -2.929 1.00 0.00 C ATOM 0 H LEU A 74 0.995 -3.973 -5.316 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.628 -4.874 -3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.217 -4.054 -5.953 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.431 -4.232 -4.701 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.026 -2.371 -4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.668 -0.559 -4.895 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.580 -1.666 -6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.944 -1.773 -5.149 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.296 -1.421 -2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.572 -2.637 -2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.944 -3.146 -2.324 1.00 0.00 H new ATOM 1271 N ARG A 75 -0.131 -6.864 -5.591 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.326 -8.257 -6.057 1.00 0.00 C ATOM 1273 C ARG A 75 0.535 -9.182 -5.218 1.00 0.00 C ATOM 1274 O ARG A 75 0.200 -10.326 -4.982 1.00 0.00 O ATOM 1275 CB ARG A 75 0.148 -8.260 -7.509 1.00 0.00 C ATOM 1276 CG ARG A 75 -1.040 -8.528 -8.428 1.00 0.00 C ATOM 1277 CD ARG A 75 -0.540 -8.808 -9.846 1.00 0.00 C ATOM 1278 NE ARG A 75 -0.085 -10.228 -9.819 1.00 0.00 N ATOM 1279 CZ ARG A 75 0.576 -10.744 -10.829 1.00 0.00 C ATOM 1280 NH1 ARG A 75 0.867 -10.023 -11.883 1.00 0.00 N ATOM 1281 NH2 ARG A 75 0.952 -11.992 -10.780 1.00 0.00 N ATOM 0 H ARG A 75 0.534 -6.318 -6.139 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.359 -8.593 -5.972 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.605 -7.302 -7.756 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.913 -9.024 -7.652 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.613 -9.379 -8.059 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.711 -7.669 -8.431 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.332 -8.661 -10.580 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.275 -8.137 -10.117 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.290 -10.806 -9.004 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.579 -9.045 -11.927 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.381 -10.439 -12.659 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.732 -12.559 -9.961 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.466 -12.401 -11.560 1.00 0.00 H new ATOM 1295 N GLN A 76 1.646 -8.688 -4.764 1.00 0.00 N ATOM 1296 CA GLN A 76 2.536 -9.519 -3.942 1.00 0.00 C ATOM 1297 C GLN A 76 1.993 -9.595 -2.528 1.00 0.00 C ATOM 1298 O GLN A 76 2.098 -10.600 -1.853 1.00 0.00 O ATOM 1299 CB GLN A 76 3.865 -8.790 -4.005 1.00 0.00 C ATOM 1300 CG GLN A 76 5.005 -9.760 -3.702 1.00 0.00 C ATOM 1301 CD GLN A 76 5.412 -10.473 -4.991 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.538 -11.681 -5.019 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.627 -9.769 -6.069 1.00 0.00 N ATOM 0 H GLN A 76 1.972 -7.736 -4.932 1.00 0.00 H new ATOM 0 HA GLN A 76 2.627 -10.550 -4.285 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.002 -8.351 -4.993 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.874 -7.969 -3.288 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.856 -9.221 -3.286 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.691 -10.487 -2.953 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.521 -8.755 -6.045 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.901 -10.233 -6.935 1.00 0.00 H new ATOM 1312 N ALA A 77 1.385 -8.542 -2.098 1.00 0.00 N ATOM 1313 CA ALA A 77 0.788 -8.528 -0.743 1.00 0.00 C ATOM 1314 C ALA A 77 -0.349 -9.558 -0.661 1.00 0.00 C ATOM 1315 O ALA A 77 -0.826 -9.886 0.407 1.00 0.00 O ATOM 1316 CB ALA A 77 0.237 -7.113 -0.573 1.00 0.00 C ATOM 0 H ALA A 77 1.272 -7.679 -2.629 1.00 0.00 H new ATOM 0 HA ALA A 77 1.510 -8.783 0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.225 -7.018 0.410 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.050 -6.393 -0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.508 -6.918 -1.344 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.785 -10.072 -1.786 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.887 -11.078 -1.778 1.00 0.00 C ATOM 1324 C GLY A 78 -3.239 -10.367 -1.903 1.00 0.00 C ATOM 1325 O GLY A 78 -4.182 -10.691 -1.209 1.00 0.00 O ATOM 0 H GLY A 78 -0.423 -9.836 -2.710 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.757 -11.780 -2.602 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.855 -11.659 -0.856 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.343 -9.397 -2.775 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.634 -8.669 -2.926 1.00 0.00 C ATOM 1331 C VAL A 79 -5.335 -9.043 -4.238 1.00 0.00 C ATOM 1332 O VAL A 79 -6.508 -8.781 -4.419 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.268 -7.190 -2.947 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.546 -6.352 -2.943 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.424 -6.834 -1.718 1.00 0.00 C ATOM 0 H VAL A 79 -2.591 -9.080 -3.386 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.319 -8.920 -2.116 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.690 -6.981 -3.847 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.287 -5.293 -2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.141 -6.592 -3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.122 -6.572 -2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.170 -5.774 -1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.992 -7.047 -0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.509 -7.427 -1.721 1.00 0.00 H new