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 Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 130:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00767) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 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 97:sc= 0.00182 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= -4.14! USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.651 X(o=-0.65,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.580 8.052 -7.037 1.00 0.00 N ATOM 21 CA VAL A 2 -7.744 7.436 -5.966 1.00 0.00 C ATOM 22 C VAL A 2 -6.664 6.552 -6.594 1.00 0.00 C ATOM 23 O VAL A 2 -6.925 5.785 -7.496 1.00 0.00 O ATOM 24 CB VAL A 2 -8.714 6.591 -5.137 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.983 6.022 -3.919 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.881 7.463 -4.667 1.00 0.00 C ATOM 0 HA VAL A 2 -7.235 8.182 -5.355 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.095 5.773 -5.749 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.674 5.420 -3.328 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.152 5.400 -4.251 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.602 6.840 -3.308 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.571 6.860 -4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.501 8.282 -4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.404 7.869 -5.533 1.00 0.00 H new ATOM 36 N LYS A 3 -5.449 6.657 -6.128 1.00 0.00 N ATOM 37 CA LYS A 3 -4.358 5.822 -6.707 1.00 0.00 C ATOM 38 C LYS A 3 -3.419 5.324 -5.604 1.00 0.00 C ATOM 39 O LYS A 3 -2.955 6.090 -4.783 1.00 0.00 O ATOM 40 CB LYS A 3 -3.609 6.758 -7.656 1.00 0.00 C ATOM 41 CG LYS A 3 -4.261 6.719 -9.039 1.00 0.00 C ATOM 42 CD LYS A 3 -3.532 7.688 -9.972 1.00 0.00 C ATOM 43 CE LYS A 3 -2.424 6.941 -10.720 1.00 0.00 C ATOM 44 NZ LYS A 3 -1.437 7.991 -11.095 1.00 0.00 N ATOM 0 H LYS A 3 -5.165 7.283 -5.374 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.745 4.939 -7.215 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.623 7.775 -7.265 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.563 6.459 -7.728 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.221 5.708 -9.444 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.314 6.991 -8.965 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.235 8.124 -10.682 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.107 8.511 -9.398 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.968 6.177 -10.090 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.816 6.434 -11.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.647 7.556 -11.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.898 8.700 -11.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.076 8.451 -10.235 1.00 0.00 H new ATOM 58 N ILE A 4 -3.112 4.056 -5.591 1.00 0.00 N ATOM 59 CA ILE A 4 -2.183 3.540 -4.553 1.00 0.00 C ATOM 60 C ILE A 4 -0.783 3.400 -5.161 1.00 0.00 C ATOM 61 O ILE A 4 -0.609 2.826 -6.218 1.00 0.00 O ATOM 62 CB ILE A 4 -2.751 2.190 -4.110 1.00 0.00 C ATOM 63 CG1 ILE A 4 -4.009 2.425 -3.270 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.717 1.435 -3.269 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.576 1.080 -2.817 1.00 0.00 C ATOM 0 H ILE A 4 -3.463 3.361 -6.250 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.094 4.207 -3.695 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.996 1.598 -4.992 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.771 3.042 -2.404 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.753 2.968 -3.853 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.131 0.476 -2.959 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.818 1.268 -3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.465 2.024 -2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.472 1.246 -2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.829 0.479 -3.690 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.832 0.555 -2.218 1.00 0.00 H new ATOM 77 N ARG A 5 0.213 3.938 -4.512 1.00 0.00 N ATOM 78 CA ARG A 5 1.592 3.854 -5.062 1.00 0.00 C ATOM 79 C ARG A 5 2.619 3.846 -3.928 1.00 0.00 C ATOM 80 O ARG A 5 2.279 4.029 -2.778 1.00 0.00 O ATOM 81 CB ARG A 5 1.755 5.110 -5.918 1.00 0.00 C ATOM 82 CG ARG A 5 1.469 6.346 -5.066 1.00 0.00 C ATOM 83 CD ARG A 5 1.687 7.609 -5.902 1.00 0.00 C ATOM 84 NE ARG A 5 2.103 8.650 -4.918 1.00 0.00 N ATOM 85 CZ ARG A 5 3.318 8.656 -4.420 1.00 0.00 C ATOM 86 NH1 ARG A 5 4.200 7.757 -4.781 1.00 0.00 N ATOM 87 NH2 ARG A 5 3.652 9.573 -3.553 1.00 0.00 N ATOM 0 H ARG A 5 0.129 4.432 -3.624 1.00 0.00 H new ATOM 0 HA ARG A 5 1.748 2.942 -5.638 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.766 5.159 -6.322 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.074 5.075 -6.768 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.444 6.315 -4.696 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.123 6.358 -4.194 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.454 7.453 -6.661 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.776 7.900 -6.424 1.00 0.00 H new ATOM 0 HE ARG A 5 1.436 9.365 -4.629 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.947 7.038 -5.459 1.00 0.00 H new ATOM 0 HH12 ARG A 5 5.139 7.776 -4.384 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.971 10.277 -3.268 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.594 9.585 -3.161 1.00 0.00 H new ATOM 101 N LEU A 6 3.874 3.656 -4.241 1.00 0.00 N ATOM 102 CA LEU A 6 4.909 3.649 -3.162 1.00 0.00 C ATOM 103 C LEU A 6 5.408 5.077 -2.920 1.00 0.00 C ATOM 104 O LEU A 6 5.772 5.789 -3.835 1.00 0.00 O ATOM 105 CB LEU A 6 6.034 2.725 -3.654 1.00 0.00 C ATOM 106 CG LEU A 6 6.675 3.271 -4.933 1.00 0.00 C ATOM 107 CD1 LEU A 6 7.802 4.239 -4.570 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.253 2.103 -5.737 1.00 0.00 C ATOM 0 H LEU A 6 4.226 3.507 -5.187 1.00 0.00 H new ATOM 0 HA LEU A 6 4.516 3.288 -2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.792 2.625 -2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.635 1.728 -3.840 1.00 0.00 H new ATOM 0 HG LEU A 6 5.924 3.796 -5.524 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.257 4.626 -5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.397 5.066 -3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.556 3.715 -3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.712 2.482 -6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.005 1.587 -5.140 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.454 1.407 -5.994 1.00 0.00 H new ATOM 120 N ALA A 7 5.369 5.514 -1.689 1.00 0.00 N ATOM 121 CA ALA A 7 5.776 6.910 -1.359 1.00 0.00 C ATOM 122 C ALA A 7 7.190 6.984 -0.777 1.00 0.00 C ATOM 123 O ALA A 7 7.432 6.553 0.325 1.00 0.00 O ATOM 124 CB ALA A 7 4.768 7.316 -0.296 1.00 0.00 C ATOM 0 H ALA A 7 5.069 4.956 -0.890 1.00 0.00 H new ATOM 0 HA ALA A 7 5.789 7.549 -2.242 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.971 8.337 0.027 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.761 7.259 -0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.848 6.643 0.558 1.00 0.00 H new ATOM 130 N ARG A 8 8.115 7.552 -1.496 1.00 0.00 N ATOM 131 CA ARG A 8 9.501 7.665 -0.965 1.00 0.00 C ATOM 132 C ARG A 8 9.581 8.743 0.123 1.00 0.00 C ATOM 133 O ARG A 8 9.247 9.890 -0.104 1.00 0.00 O ATOM 134 CB ARG A 8 10.348 8.079 -2.167 1.00 0.00 C ATOM 135 CG ARG A 8 11.830 7.870 -1.845 1.00 0.00 C ATOM 136 CD ARG A 8 12.663 8.015 -3.123 1.00 0.00 C ATOM 137 NE ARG A 8 13.916 8.702 -2.689 1.00 0.00 N ATOM 138 CZ ARG A 8 13.927 9.991 -2.444 1.00 0.00 C ATOM 139 NH1 ARG A 8 12.840 10.711 -2.568 1.00 0.00 N ATOM 140 NH2 ARG A 8 15.038 10.564 -2.068 1.00 0.00 N ATOM 0 H ARG A 8 7.972 7.943 -2.427 1.00 0.00 H new ATOM 0 HA ARG A 8 9.838 6.732 -0.514 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.069 7.491 -3.042 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.162 9.125 -2.413 1.00 0.00 H new ATOM 0 HG2 ARG A 8 12.157 8.598 -1.102 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.982 6.882 -1.411 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.879 7.043 -3.566 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.133 8.598 -3.876 1.00 0.00 H new ATOM 0 HE ARG A 8 14.775 8.162 -2.582 1.00 0.00 H new ATOM 0 HH11 ARG A 8 11.967 10.271 -2.859 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.866 11.712 -2.373 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.889 10.010 -1.967 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.056 11.566 -1.875 1.00 0.00 H new ATOM 276 N TYR A 17 9.318 2.906 1.059 1.00 0.00 N ATOM 277 CA TYR A 17 8.188 3.707 0.555 1.00 0.00 C ATOM 278 C TYR A 17 6.907 3.112 1.088 1.00 0.00 C ATOM 279 O TYR A 17 6.829 1.926 1.322 1.00 0.00 O ATOM 280 CB TYR A 17 8.189 3.553 -0.961 1.00 0.00 C ATOM 281 CG TYR A 17 9.550 3.806 -1.547 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.582 2.887 -1.348 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.771 4.951 -2.314 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.836 3.112 -1.912 1.00 0.00 C ATOM 285 CE2 TYR A 17 11.025 5.181 -2.879 1.00 0.00 C ATOM 286 CZ TYR A 17 12.062 4.261 -2.679 1.00 0.00 C ATOM 287 OH TYR A 17 13.305 4.485 -3.240 1.00 0.00 O ATOM 0 HA TYR A 17 8.270 4.751 0.857 1.00 0.00 H new ATOM 0 HB2 TYR A 17 7.861 2.547 -1.224 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.471 4.247 -1.397 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.408 2.001 -0.756 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.971 5.659 -2.470 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.633 2.400 -1.757 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.197 6.068 -3.471 1.00 0.00 H new ATOM 0 HH TYR A 17 13.201 4.695 -4.192 1.00 0.00 H new ATOM 297 N ARG A 18 5.891 3.895 1.252 1.00 0.00 N ATOM 298 CA ARG A 18 4.629 3.312 1.730 1.00 0.00 C ATOM 299 C ARG A 18 3.720 3.113 0.535 1.00 0.00 C ATOM 300 O ARG A 18 3.713 3.908 -0.382 1.00 0.00 O ATOM 301 CB ARG A 18 4.044 4.315 2.721 1.00 0.00 C ATOM 302 CG ARG A 18 3.257 3.569 3.786 1.00 0.00 C ATOM 303 CD ARG A 18 2.759 4.559 4.842 1.00 0.00 C ATOM 304 NE ARG A 18 3.986 5.005 5.563 1.00 0.00 N ATOM 305 CZ ARG A 18 3.899 5.648 6.705 1.00 0.00 C ATOM 306 NH1 ARG A 18 2.733 5.914 7.241 1.00 0.00 N ATOM 307 NH2 ARG A 18 4.988 6.026 7.314 1.00 0.00 N ATOM 0 H ARG A 18 5.881 4.900 1.078 1.00 0.00 H new ATOM 0 HA ARG A 18 4.760 2.346 2.217 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.843 4.895 3.183 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.396 5.021 2.202 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.413 3.050 3.332 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.885 2.810 4.252 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.244 5.402 4.381 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.051 4.087 5.523 1.00 0.00 H new ATOM 0 HE ARG A 18 4.904 4.808 5.164 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.877 5.621 6.771 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.682 6.414 8.128 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.899 5.822 6.903 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.929 6.526 8.201 1.00 0.00 H new ATOM 321 N ILE A 19 2.923 2.093 0.547 1.00 0.00 N ATOM 322 CA ILE A 19 2.000 1.893 -0.584 1.00 0.00 C ATOM 323 C ILE A 19 0.728 2.517 -0.070 1.00 0.00 C ATOM 324 O ILE A 19 -0.137 1.889 0.508 1.00 0.00 O ATOM 325 CB ILE A 19 1.879 0.381 -0.833 1.00 0.00 C ATOM 326 CG1 ILE A 19 3.116 -0.379 -0.327 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.772 0.124 -2.334 1.00 0.00 C ATOM 328 CD1 ILE A 19 4.361 0.210 -0.986 1.00 0.00 C ATOM 0 H ILE A 19 2.872 1.394 1.288 1.00 0.00 H new ATOM 0 HA ILE A 19 2.298 2.330 -1.537 1.00 0.00 H new ATOM 0 HB ILE A 19 0.995 0.032 -0.298 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.190 -0.299 0.758 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.030 -1.440 -0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.686 -0.948 -2.514 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.891 0.630 -2.728 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.663 0.506 -2.833 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.245 -0.322 -0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.283 0.108 -2.068 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.445 1.265 -0.727 1.00 0.00 H new ATOM 340 N VAL A 20 0.715 3.812 -0.179 1.00 0.00 N ATOM 341 CA VAL A 20 -0.363 4.633 0.393 1.00 0.00 C ATOM 342 C VAL A 20 -1.414 4.980 -0.667 1.00 0.00 C ATOM 343 O VAL A 20 -1.234 4.733 -1.842 1.00 0.00 O ATOM 344 CB VAL A 20 0.445 5.851 0.918 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.327 7.073 0.007 1.00 0.00 C ATOM 346 CG2 VAL A 20 -0.011 6.212 2.323 1.00 0.00 C ATOM 0 H VAL A 20 1.438 4.347 -0.660 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.959 4.158 1.173 1.00 0.00 H new ATOM 0 HB VAL A 20 1.494 5.556 0.930 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.911 7.894 0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.704 6.825 -0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.718 7.372 -0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.561 7.067 2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.071 6.465 2.308 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.150 5.363 2.987 1.00 0.00 H new ATOM 356 N VAL A 21 -2.532 5.503 -0.244 1.00 0.00 N ATOM 357 CA VAL A 21 -3.624 5.812 -1.203 1.00 0.00 C ATOM 358 C VAL A 21 -3.854 7.323 -1.285 1.00 0.00 C ATOM 359 O VAL A 21 -4.350 7.934 -0.361 1.00 0.00 O ATOM 360 CB VAL A 21 -4.888 5.105 -0.651 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.688 4.533 -1.817 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.535 3.950 0.302 1.00 0.00 C ATOM 0 H VAL A 21 -2.735 5.730 0.730 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.379 5.469 -2.208 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.464 5.846 -0.097 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.579 4.034 -1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.983 5.341 -2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.075 3.815 -2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.451 3.484 0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.937 3.210 -0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.966 4.337 1.147 1.00 0.00 H new ATOM 372 N THR A 22 -3.502 7.929 -2.386 1.00 0.00 N ATOM 373 CA THR A 22 -3.707 9.403 -2.527 1.00 0.00 C ATOM 374 C THR A 22 -4.406 9.719 -3.853 1.00 0.00 C ATOM 375 O THR A 22 -4.811 8.833 -4.578 1.00 0.00 O ATOM 376 CB THR A 22 -2.306 10.027 -2.500 1.00 0.00 C ATOM 377 OG1 THR A 22 -2.391 11.384 -2.913 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.367 9.267 -3.441 1.00 0.00 C ATOM 0 H THR A 22 -3.082 7.470 -3.194 1.00 0.00 H new ATOM 0 HA THR A 22 -4.336 9.798 -1.729 1.00 0.00 H new ATOM 0 HB THR A 22 -1.910 9.970 -1.486 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.498 11.788 -2.896 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.377 9.721 -3.411 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.299 8.226 -3.124 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.756 9.312 -4.458 1.00 0.00 H new ATOM 543 N TYR A 32 -2.040 11.480 1.294 1.00 0.00 N ATOM 544 CA TYR A 32 -2.896 10.326 0.879 1.00 0.00 C ATOM 545 C TYR A 32 -4.086 10.170 1.827 1.00 0.00 C ATOM 546 O TYR A 32 -4.035 10.558 2.978 1.00 0.00 O ATOM 547 CB TYR A 32 -1.996 9.081 0.952 1.00 0.00 C ATOM 548 CG TYR A 32 -1.172 9.099 2.222 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.710 8.610 3.419 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.130 9.611 2.199 1.00 0.00 C ATOM 551 CE1 TYR A 32 -0.944 8.632 4.591 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.896 9.636 3.370 1.00 0.00 C ATOM 553 CZ TYR A 32 0.359 9.146 4.567 1.00 0.00 C ATOM 554 OH TYR A 32 1.114 9.170 5.723 1.00 0.00 O ATOM 0 HA TYR A 32 -3.298 10.474 -0.123 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.608 8.180 0.921 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.337 9.049 0.084 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.715 8.216 3.438 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.545 9.988 1.276 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.358 8.253 5.514 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.900 10.033 3.351 1.00 0.00 H new ATOM 0 HH TYR A 32 1.994 9.557 5.531 1.00 0.00 H new ATOM 564 N ILE A 33 -5.157 9.598 1.350 1.00 0.00 N ATOM 565 CA ILE A 33 -6.354 9.402 2.215 1.00 0.00 C ATOM 566 C ILE A 33 -5.998 8.505 3.402 1.00 0.00 C ATOM 567 O ILE A 33 -6.440 8.718 4.512 1.00 0.00 O ATOM 568 CB ILE A 33 -7.378 8.712 1.312 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.779 9.660 0.179 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.617 8.340 2.127 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.943 8.865 -1.117 1.00 0.00 C ATOM 0 H ILE A 33 -5.255 9.256 0.394 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.733 10.339 2.623 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.937 7.807 0.893 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.711 10.167 0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.020 10.432 0.051 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.344 7.849 1.480 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.333 7.663 2.933 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.059 9.242 2.550 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -8.229 9.540 -1.924 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -7.000 8.379 -1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.717 8.109 -0.985 1.00 0.00 H new ATOM 583 N GLU A 34 -5.201 7.499 3.171 1.00 0.00 N ATOM 584 CA GLU A 34 -4.811 6.581 4.278 1.00 0.00 C ATOM 585 C GLU A 34 -3.647 5.693 3.833 1.00 0.00 C ATOM 586 O GLU A 34 -3.279 5.672 2.676 1.00 0.00 O ATOM 587 CB GLU A 34 -6.058 5.737 4.545 1.00 0.00 C ATOM 588 CG GLU A 34 -6.696 6.172 5.866 1.00 0.00 C ATOM 589 CD GLU A 34 -8.216 6.231 5.702 1.00 0.00 C ATOM 590 OE1 GLU A 34 -8.688 7.163 5.073 1.00 0.00 O ATOM 591 OE2 GLU A 34 -8.882 5.344 6.208 1.00 0.00 O ATOM 0 H GLU A 34 -4.802 7.272 2.260 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.483 7.116 5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.771 5.854 3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.793 4.681 4.588 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.432 5.471 6.658 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.313 7.148 6.163 1.00 0.00 H new ATOM 598 N LYS A 35 -3.065 4.958 4.740 1.00 0.00 N ATOM 599 CA LYS A 35 -1.929 4.071 4.359 1.00 0.00 C ATOM 600 C LYS A 35 -2.357 2.603 4.450 1.00 0.00 C ATOM 601 O LYS A 35 -2.754 2.127 5.495 1.00 0.00 O ATOM 602 CB LYS A 35 -0.820 4.377 5.371 1.00 0.00 C ATOM 603 CG LYS A 35 -1.266 3.967 6.779 1.00 0.00 C ATOM 604 CD LYS A 35 -0.888 5.067 7.773 1.00 0.00 C ATOM 605 CE LYS A 35 -1.809 4.988 8.993 1.00 0.00 C ATOM 606 NZ LYS A 35 -1.263 3.872 9.814 1.00 0.00 N ATOM 0 H LYS A 35 -3.326 4.933 5.726 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.596 4.243 3.336 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.090 3.842 5.099 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.582 5.441 5.351 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.343 3.800 6.797 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.793 3.027 7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.152 4.953 8.080 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.975 6.045 7.300 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.808 5.925 9.550 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.840 4.793 8.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.811 3.788 10.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.329 2.983 9.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.267 4.065 10.043 1.00 0.00 H new ATOM 620 N ILE A 36 -2.279 1.878 3.367 1.00 0.00 N ATOM 621 CA ILE A 36 -2.683 0.439 3.414 1.00 0.00 C ATOM 622 C ILE A 36 -1.497 -0.463 3.137 1.00 0.00 C ATOM 623 O ILE A 36 -1.481 -1.613 3.534 1.00 0.00 O ATOM 624 CB ILE A 36 -3.787 0.264 2.363 1.00 0.00 C ATOM 625 CG1 ILE A 36 -3.308 0.704 0.970 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.990 1.113 2.770 1.00 0.00 C ATOM 627 CD1 ILE A 36 -2.393 -0.361 0.368 1.00 0.00 C ATOM 0 H ILE A 36 -1.957 2.213 2.459 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.049 0.161 4.402 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.056 -0.791 2.313 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.165 0.869 0.317 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.776 1.653 1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.783 0.998 2.031 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.352 0.787 3.745 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.694 2.161 2.825 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.060 -0.039 -0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.527 -0.505 1.015 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.938 -1.300 0.278 1.00 0.00 H new ATOM 639 N GLY A 37 -0.502 0.034 2.471 1.00 0.00 N ATOM 640 CA GLY A 37 0.667 -0.823 2.194 1.00 0.00 C ATOM 641 C GLY A 37 1.945 -0.198 2.737 1.00 0.00 C ATOM 642 O GLY A 37 2.018 0.985 2.995 1.00 0.00 O ATOM 0 H GLY A 37 -0.449 0.987 2.111 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.518 -1.804 2.645 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.762 -0.978 1.119 1.00 0.00 H new ATOM 646 N TYR A 38 2.963 -0.997 2.877 1.00 0.00 N ATOM 647 CA TYR A 38 4.275 -0.495 3.361 1.00 0.00 C ATOM 648 C TYR A 38 5.376 -1.192 2.558 1.00 0.00 C ATOM 649 O TYR A 38 5.337 -2.393 2.372 1.00 0.00 O ATOM 650 CB TYR A 38 4.334 -0.898 4.835 1.00 0.00 C ATOM 651 CG TYR A 38 5.554 -0.287 5.480 1.00 0.00 C ATOM 652 CD1 TYR A 38 5.509 1.028 5.958 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.730 -1.038 5.603 1.00 0.00 C ATOM 654 CE1 TYR A 38 6.639 1.593 6.558 1.00 0.00 C ATOM 655 CE2 TYR A 38 7.860 -0.472 6.205 1.00 0.00 C ATOM 656 CZ TYR A 38 7.815 0.844 6.683 1.00 0.00 C ATOM 657 OH TYR A 38 8.929 1.402 7.275 1.00 0.00 O ATOM 0 H TYR A 38 2.940 -1.996 2.672 1.00 0.00 H new ATOM 0 HA TYR A 38 4.402 0.581 3.245 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.433 -0.564 5.350 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.369 -1.984 4.924 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.602 1.606 5.863 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.765 -2.052 5.234 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.604 2.608 6.925 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.767 -1.050 6.301 1.00 0.00 H new ATOM 0 HH TYR A 38 9.658 0.747 7.283 1.00 0.00 H new ATOM 667 N TYR A 39 6.353 -0.472 2.071 1.00 0.00 N ATOM 668 CA TYR A 39 7.425 -1.151 1.285 1.00 0.00 C ATOM 669 C TYR A 39 8.800 -0.793 1.860 1.00 0.00 C ATOM 670 O TYR A 39 9.165 0.363 1.935 1.00 0.00 O ATOM 671 CB TYR A 39 7.303 -0.637 -0.155 1.00 0.00 C ATOM 672 CG TYR A 39 8.444 -1.176 -1.006 1.00 0.00 C ATOM 673 CD1 TYR A 39 9.099 -2.371 -0.656 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.839 -0.481 -2.155 1.00 0.00 C ATOM 675 CE1 TYR A 39 10.142 -2.859 -1.452 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.881 -0.973 -2.950 1.00 0.00 C ATOM 677 CZ TYR A 39 10.532 -2.160 -2.599 1.00 0.00 C ATOM 678 OH TYR A 39 11.557 -2.642 -3.386 1.00 0.00 O ATOM 0 H TYR A 39 6.455 0.537 2.180 1.00 0.00 H new ATOM 0 HA TYR A 39 7.320 -2.235 1.324 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.347 -0.945 -0.579 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.318 0.453 -0.162 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.797 -2.913 0.228 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.339 0.436 -2.429 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.645 -3.775 -1.180 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.183 -0.435 -3.836 1.00 0.00 H new ATOM 0 HH TYR A 39 11.700 -2.037 -4.144 1.00 0.00 H new ATOM 688 N ASP A 40 9.565 -1.766 2.266 1.00 0.00 N ATOM 689 CA ASP A 40 10.912 -1.460 2.832 1.00 0.00 C ATOM 690 C ASP A 40 11.959 -2.413 2.243 1.00 0.00 C ATOM 691 O ASP A 40 12.303 -3.403 2.854 1.00 0.00 O ATOM 692 CB ASP A 40 10.765 -1.684 4.339 1.00 0.00 C ATOM 693 CG ASP A 40 11.913 -0.993 5.078 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.055 -1.264 4.744 1.00 0.00 O ATOM 695 OD2 ASP A 40 11.631 -0.208 5.969 1.00 0.00 O ATOM 0 H ASP A 40 9.320 -2.756 2.232 1.00 0.00 H new ATOM 0 HA ASP A 40 11.241 -0.447 2.601 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.809 -1.290 4.683 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.768 -2.751 4.560 1.00 0.00 H new ATOM 838 N LEU A 49 7.892 -6.716 1.911 1.00 0.00 N ATOM 839 CA LEU A 49 6.568 -6.114 1.581 1.00 0.00 C ATOM 840 C LEU A 49 5.581 -6.365 2.722 1.00 0.00 C ATOM 841 O LEU A 49 5.379 -7.485 3.149 1.00 0.00 O ATOM 842 CB LEU A 49 6.105 -6.837 0.317 1.00 0.00 C ATOM 843 CG LEU A 49 4.884 -6.121 -0.261 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.106 -5.849 -1.748 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.647 -7.004 -0.083 1.00 0.00 C ATOM 0 HA LEU A 49 6.631 -5.036 1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.909 -6.858 -0.418 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.857 -7.873 0.548 1.00 0.00 H new ATOM 0 HG LEU A 49 4.736 -5.176 0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.235 -5.339 -2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.988 -5.221 -1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.254 -6.793 -2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.775 -6.496 -0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.796 -7.949 -0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.487 -7.197 0.978 1.00 0.00 H new ATOM 857 N LYS A 50 4.959 -5.333 3.212 1.00 0.00 N ATOM 858 CA LYS A 50 3.978 -5.504 4.318 1.00 0.00 C ATOM 859 C LYS A 50 2.711 -4.714 3.996 1.00 0.00 C ATOM 860 O LYS A 50 2.571 -3.569 4.379 1.00 0.00 O ATOM 861 CB LYS A 50 4.672 -4.931 5.554 1.00 0.00 C ATOM 862 CG LYS A 50 3.905 -5.345 6.811 1.00 0.00 C ATOM 863 CD LYS A 50 4.815 -5.217 8.034 1.00 0.00 C ATOM 864 CE LYS A 50 4.706 -3.801 8.606 1.00 0.00 C ATOM 865 NZ LYS A 50 5.169 -3.918 10.016 1.00 0.00 N ATOM 0 H LYS A 50 5.088 -4.373 2.893 1.00 0.00 H new ATOM 0 HA LYS A 50 3.685 -6.543 4.468 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.699 -5.292 5.607 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.719 -3.844 5.486 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.023 -4.717 6.934 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.553 -6.372 6.713 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.531 -5.949 8.790 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.847 -5.430 7.756 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.324 -3.100 8.045 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.681 -3.433 8.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.123 -2.986 10.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.558 -4.586 10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.150 -4.264 10.032 1.00 0.00 H new ATOM 879 N VAL A 51 1.792 -5.303 3.279 1.00 0.00 N ATOM 880 CA VAL A 51 0.552 -4.561 2.926 1.00 0.00 C ATOM 881 C VAL A 51 -0.680 -5.205 3.559 1.00 0.00 C ATOM 882 O VAL A 51 -0.928 -6.384 3.407 1.00 0.00 O ATOM 883 CB VAL A 51 0.474 -4.613 1.378 1.00 0.00 C ATOM 884 CG1 VAL A 51 -0.979 -4.718 0.886 1.00 0.00 C ATOM 885 CG2 VAL A 51 1.061 -3.334 0.802 1.00 0.00 C ATOM 0 H VAL A 51 1.847 -6.258 2.926 1.00 0.00 H new ATOM 0 HA VAL A 51 0.577 -3.537 3.298 1.00 0.00 H new ATOM 0 HB VAL A 51 1.029 -5.493 1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.993 -4.752 -0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.433 -5.626 1.283 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.543 -3.851 1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.008 -3.367 -0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.495 -2.477 1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.102 -3.240 1.112 1.00 0.00 H new ATOM 895 N ASP A 52 -1.488 -4.415 4.199 1.00 0.00 N ATOM 896 CA ASP A 52 -2.743 -4.961 4.758 1.00 0.00 C ATOM 897 C ASP A 52 -3.678 -5.180 3.574 1.00 0.00 C ATOM 898 O ASP A 52 -4.620 -4.440 3.380 1.00 0.00 O ATOM 899 CB ASP A 52 -3.283 -3.869 5.686 1.00 0.00 C ATOM 900 CG ASP A 52 -4.346 -4.463 6.612 1.00 0.00 C ATOM 901 OD1 ASP A 52 -3.971 -5.035 7.622 1.00 0.00 O ATOM 902 OD2 ASP A 52 -5.518 -4.335 6.295 1.00 0.00 O ATOM 0 H ASP A 52 -1.333 -3.419 4.358 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.626 -5.897 5.305 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.470 -3.443 6.274 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.711 -3.057 5.098 1.00 0.00 H new ATOM 907 N VAL A 53 -3.376 -6.164 2.751 1.00 0.00 N ATOM 908 CA VAL A 53 -4.196 -6.439 1.518 1.00 0.00 C ATOM 909 C VAL A 53 -5.688 -6.175 1.765 1.00 0.00 C ATOM 910 O VAL A 53 -6.398 -5.763 0.872 1.00 0.00 O ATOM 911 CB VAL A 53 -3.910 -7.913 1.126 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.769 -8.801 2.363 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.036 -8.466 0.243 1.00 0.00 C ATOM 0 H VAL A 53 -2.586 -6.796 2.883 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.923 -5.770 0.702 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.971 -7.923 0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.569 -9.827 2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.944 -8.440 2.978 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.693 -8.770 2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.817 -9.501 -0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.980 -8.423 0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.113 -7.868 -0.665 1.00 0.00 H new ATOM 923 N GLU A 54 -6.166 -6.368 2.963 1.00 0.00 N ATOM 924 CA GLU A 54 -7.599 -6.078 3.219 1.00 0.00 C ATOM 925 C GLU A 54 -7.844 -4.588 2.988 1.00 0.00 C ATOM 926 O GLU A 54 -8.736 -4.195 2.261 1.00 0.00 O ATOM 927 CB GLU A 54 -7.839 -6.459 4.682 1.00 0.00 C ATOM 928 CG GLU A 54 -9.293 -6.170 5.055 1.00 0.00 C ATOM 929 CD GLU A 54 -10.120 -7.450 4.919 1.00 0.00 C ATOM 930 OE1 GLU A 54 -9.730 -8.304 4.140 1.00 0.00 O ATOM 931 OE2 GLU A 54 -11.131 -7.554 5.594 1.00 0.00 O ATOM 0 H GLU A 54 -5.633 -6.709 3.763 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.272 -6.630 2.563 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.617 -7.515 4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.168 -5.895 5.330 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.350 -5.795 6.077 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.698 -5.392 4.407 1.00 0.00 H new ATOM 938 N ARG A 55 -7.036 -3.756 3.580 1.00 0.00 N ATOM 939 CA ARG A 55 -7.189 -2.293 3.379 1.00 0.00 C ATOM 940 C ARG A 55 -6.628 -1.918 2.007 1.00 0.00 C ATOM 941 O ARG A 55 -7.131 -1.048 1.333 1.00 0.00 O ATOM 942 CB ARG A 55 -6.371 -1.645 4.495 1.00 0.00 C ATOM 943 CG ARG A 55 -7.273 -1.380 5.700 1.00 0.00 C ATOM 944 CD ARG A 55 -7.617 0.110 5.766 1.00 0.00 C ATOM 945 NE ARG A 55 -6.303 0.805 5.908 1.00 0.00 N ATOM 946 CZ ARG A 55 -6.243 2.057 6.295 1.00 0.00 C ATOM 947 NH1 ARG A 55 -7.332 2.727 6.584 1.00 0.00 N ATOM 948 NH2 ARG A 55 -5.081 2.643 6.399 1.00 0.00 N ATOM 0 H ARG A 55 -6.272 -4.030 4.198 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.228 -1.966 3.412 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.546 -2.297 4.781 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.932 -0.711 4.144 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.185 -1.971 5.621 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.772 -1.689 6.617 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.140 0.434 4.866 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.271 0.327 6.610 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.441 0.300 5.701 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.244 2.275 6.509 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.268 3.700 6.883 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.228 2.128 6.180 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.026 3.616 6.699 1.00 0.00 H new ATOM 962 N ALA A 56 -5.603 -2.595 1.571 1.00 0.00 N ATOM 963 CA ALA A 56 -5.042 -2.297 0.234 1.00 0.00 C ATOM 964 C ALA A 56 -6.049 -2.771 -0.817 1.00 0.00 C ATOM 965 O ALA A 56 -6.061 -2.300 -1.938 1.00 0.00 O ATOM 966 CB ALA A 56 -3.727 -3.077 0.172 1.00 0.00 C ATOM 0 H ALA A 56 -5.133 -3.340 2.085 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.858 -1.238 0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.249 -2.907 -0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.065 -2.739 0.970 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.929 -4.141 0.295 1.00 0.00 H new ATOM 972 N ARG A 57 -6.924 -3.682 -0.450 1.00 0.00 N ATOM 973 CA ARG A 57 -7.950 -4.151 -1.411 1.00 0.00 C ATOM 974 C ARG A 57 -9.163 -3.212 -1.357 1.00 0.00 C ATOM 975 O ARG A 57 -9.923 -3.108 -2.298 1.00 0.00 O ATOM 976 CB ARG A 57 -8.330 -5.562 -0.959 1.00 0.00 C ATOM 977 CG ARG A 57 -9.377 -6.137 -1.913 1.00 0.00 C ATOM 978 CD ARG A 57 -8.684 -6.654 -3.175 1.00 0.00 C ATOM 979 NE ARG A 57 -9.792 -7.034 -4.098 1.00 0.00 N ATOM 980 CZ ARG A 57 -9.562 -7.254 -5.371 1.00 0.00 C ATOM 981 NH1 ARG A 57 -8.353 -7.152 -5.865 1.00 0.00 N ATOM 982 NH2 ARG A 57 -10.552 -7.579 -6.156 1.00 0.00 N ATOM 0 H ARG A 57 -6.963 -4.114 0.473 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.587 -4.157 -2.439 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.447 -6.201 -0.943 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.723 -5.537 0.057 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.923 -6.946 -1.427 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.107 -5.371 -2.174 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.048 -5.888 -3.617 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.046 -7.509 -2.952 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.741 -7.124 -3.735 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.574 -6.898 -5.258 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.191 -7.326 -6.857 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.496 -7.660 -5.779 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.382 -7.752 -7.147 1.00 0.00 H new ATOM 996 N TYR A 58 -9.322 -2.505 -0.265 1.00 0.00 N ATOM 997 CA TYR A 58 -10.449 -1.541 -0.136 1.00 0.00 C ATOM 998 C TYR A 58 -10.267 -0.488 -1.206 1.00 0.00 C ATOM 999 O TYR A 58 -11.166 -0.118 -1.938 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.241 -0.925 1.256 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.893 0.444 1.368 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.127 0.684 0.760 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.253 1.470 2.082 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.728 1.943 0.865 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.855 2.729 2.187 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.093 2.966 1.578 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.685 4.207 1.681 1.00 0.00 O ATOM 0 H TYR A 58 -8.710 -2.558 0.549 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.440 -1.981 -0.245 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.657 -1.589 2.014 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.174 -0.838 1.460 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.618 -0.104 0.208 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.297 1.288 2.550 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.683 2.126 0.395 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.364 3.518 2.738 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.112 4.800 2.210 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.077 -0.007 -1.264 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.728 1.040 -2.237 1.00 0.00 C ATOM 1019 C TRP A 59 -8.847 0.493 -3.643 1.00 0.00 C ATOM 1020 O TRP A 59 -9.599 0.993 -4.454 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.309 1.415 -1.851 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.437 2.134 -0.563 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.947 1.739 0.630 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.177 3.345 -0.329 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.320 2.673 1.587 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.086 3.685 1.034 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.902 4.176 -1.186 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.706 4.829 1.537 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.530 5.325 -0.692 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.433 5.653 0.668 1.00 0.00 C ATOM 0 H TRP A 59 -8.308 -0.302 -0.662 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.382 1.912 -2.223 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.682 0.530 -1.748 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.847 2.046 -2.611 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.364 0.848 0.810 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.062 2.620 2.573 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.978 3.931 -2.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.626 5.077 2.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.091 5.961 -1.360 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.919 6.541 1.045 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.160 -0.568 -3.929 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.292 -1.180 -5.280 1.00 0.00 C ATOM 1043 C LEU A 60 -9.781 -1.430 -5.560 1.00 0.00 C ATOM 1044 O LEU A 60 -10.207 -1.528 -6.693 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.528 -2.502 -5.199 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.037 -2.219 -5.010 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.338 -3.481 -4.504 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -5.425 -1.801 -6.349 1.00 0.00 C ATOM 0 H LEU A 60 -7.516 -1.039 -3.294 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.901 -0.548 -6.077 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.903 -3.101 -4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.686 -3.082 -6.108 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.909 -1.417 -4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.275 -3.279 -4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.774 -3.781 -3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.466 -4.284 -5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.362 -1.599 -6.216 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.554 -2.604 -7.074 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.923 -0.902 -6.712 1.00 0.00 H new ATOM 1060 N SER A 61 -10.578 -1.525 -4.517 1.00 0.00 N ATOM 1061 CA SER A 61 -12.033 -1.756 -4.704 1.00 0.00 C ATOM 1062 C SER A 61 -12.755 -0.444 -5.041 1.00 0.00 C ATOM 1063 O SER A 61 -13.829 -0.454 -5.611 1.00 0.00 O ATOM 1064 CB SER A 61 -12.528 -2.305 -3.368 1.00 0.00 C ATOM 1065 OG SER A 61 -12.692 -3.714 -3.469 1.00 0.00 O ATOM 0 H SER A 61 -10.274 -1.451 -3.546 1.00 0.00 H new ATOM 0 HA SER A 61 -12.228 -2.442 -5.528 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.816 -2.066 -2.578 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.474 -1.836 -3.097 1.00 0.00 H new ATOM 0 HG SER A 61 -11.896 -4.162 -3.114 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.185 0.688 -4.701 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.863 1.970 -5.018 1.00 0.00 C ATOM 1073 C VAL A 62 -12.262 2.565 -6.290 1.00 0.00 C ATOM 1074 O VAL A 62 -12.186 3.765 -6.460 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.627 2.897 -3.811 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -13.002 2.192 -2.503 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.158 3.332 -3.743 1.00 0.00 C ATOM 0 H VAL A 62 -11.288 0.773 -4.222 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.930 1.834 -5.193 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.259 3.776 -3.940 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.827 2.865 -1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.055 1.911 -2.530 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.391 1.297 -2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.012 3.986 -2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.522 2.452 -3.642 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.894 3.867 -4.655 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.840 1.719 -7.182 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.241 2.202 -8.457 1.00 0.00 C ATOM 1089 C GLY A 63 -9.847 2.775 -8.191 1.00 0.00 C ATOM 1090 O GLY A 63 -9.370 3.626 -8.915 1.00 0.00 O ATOM 0 H GLY A 63 -11.884 0.705 -7.084 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.177 1.382 -9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.879 2.965 -8.903 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.186 2.319 -7.159 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.828 2.849 -6.861 1.00 0.00 C ATOM 1096 C ALA A 64 -6.817 2.308 -7.875 1.00 0.00 C ATOM 1097 O ALA A 64 -6.499 1.135 -7.883 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.498 2.350 -5.456 1.00 0.00 C ATOM 0 H ALA A 64 -9.528 1.606 -6.514 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.790 3.937 -6.921 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.508 2.703 -5.168 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.238 2.730 -4.752 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.512 1.260 -5.444 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.311 3.153 -8.729 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.323 2.682 -9.741 1.00 0.00 C ATOM 1106 C GLN A 65 -3.927 2.570 -9.109 1.00 0.00 C ATOM 1107 O GLN A 65 -3.357 3.562 -8.699 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.333 3.755 -10.831 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.980 3.187 -12.096 1.00 0.00 C ATOM 1110 CD GLN A 65 -7.094 4.123 -12.567 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -8.230 3.987 -12.161 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -6.813 5.076 -13.413 1.00 0.00 N ATOM 0 H GLN A 65 -6.537 4.147 -8.771 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.573 1.697 -10.135 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.884 4.631 -10.489 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.315 4.082 -11.045 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.231 3.073 -12.880 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.385 2.195 -11.896 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.858 5.190 -13.754 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.548 5.707 -13.733 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.417 1.364 -9.047 1.00 0.00 N ATOM 1122 CA PRO A 66 -2.076 1.143 -8.460 1.00 0.00 C ATOM 1123 C PRO A 66 -0.993 1.430 -9.505 1.00 0.00 C ATOM 1124 O PRO A 66 -1.168 1.162 -10.677 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.092 -0.335 -8.096 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.085 -0.969 -9.022 1.00 0.00 C ATOM 1127 CD PRO A 66 -4.027 0.107 -9.503 1.00 0.00 C ATOM 0 HA PRO A 66 -1.863 1.787 -7.607 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.104 -0.779 -8.218 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.380 -0.479 -7.055 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.576 -1.435 -9.866 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.636 -1.756 -8.508 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.131 0.087 -10.588 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.025 -0.024 -9.085 1.00 0.00 H new ATOM 1135 N THR A 67 0.124 1.970 -9.098 1.00 0.00 N ATOM 1136 CA THR A 67 1.202 2.259 -10.087 1.00 0.00 C ATOM 1137 C THR A 67 1.746 0.947 -10.661 1.00 0.00 C ATOM 1138 O THR A 67 1.493 -0.119 -10.138 1.00 0.00 O ATOM 1139 CB THR A 67 2.285 3.002 -9.301 1.00 0.00 C ATOM 1140 OG1 THR A 67 2.310 2.528 -7.963 1.00 0.00 O ATOM 1141 CG2 THR A 67 1.982 4.502 -9.307 1.00 0.00 C ATOM 0 H THR A 67 0.336 2.222 -8.132 1.00 0.00 H new ATOM 0 HA THR A 67 0.845 2.852 -10.929 1.00 0.00 H new ATOM 0 HB THR A 67 3.255 2.826 -9.765 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.005 3.003 -7.461 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.753 5.031 -8.747 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.965 4.866 -10.334 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.011 4.679 -8.844 1.00 0.00 H new ATOM 1149 N ASP A 68 2.480 1.015 -11.736 1.00 0.00 N ATOM 1150 CA ASP A 68 3.028 -0.233 -12.347 1.00 0.00 C ATOM 1151 C ASP A 68 4.002 -0.929 -11.389 1.00 0.00 C ATOM 1152 O ASP A 68 4.334 -2.084 -11.559 1.00 0.00 O ATOM 1153 CB ASP A 68 3.757 0.232 -13.608 1.00 0.00 C ATOM 1154 CG ASP A 68 2.760 0.353 -14.762 1.00 0.00 C ATOM 1155 OD1 ASP A 68 1.586 0.538 -14.488 1.00 0.00 O ATOM 1156 OD2 ASP A 68 3.187 0.259 -15.900 1.00 0.00 O ATOM 0 H ASP A 68 2.725 1.879 -12.219 1.00 0.00 H new ATOM 0 HA ASP A 68 2.242 -0.956 -12.567 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.239 1.193 -13.428 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.544 -0.476 -13.867 1.00 0.00 H new ATOM 1161 N THR A 69 4.461 -0.235 -10.384 1.00 0.00 N ATOM 1162 CA THR A 69 5.412 -0.856 -9.418 1.00 0.00 C ATOM 1163 C THR A 69 4.693 -1.195 -8.116 1.00 0.00 C ATOM 1164 O THR A 69 4.823 -2.278 -7.582 1.00 0.00 O ATOM 1165 CB THR A 69 6.446 0.218 -9.155 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.899 0.760 -10.388 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.627 -0.369 -8.380 1.00 0.00 C ATOM 0 H THR A 69 4.218 0.736 -10.190 1.00 0.00 H new ATOM 0 HA THR A 69 5.847 -1.778 -9.805 1.00 0.00 H new ATOM 0 HB THR A 69 5.992 1.010 -8.560 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.567 1.456 -10.214 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.365 0.411 -8.196 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.276 -0.768 -7.428 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.083 -1.169 -8.963 1.00 0.00 H new ATOM 1175 N ALA A 70 3.926 -0.273 -7.604 1.00 0.00 N ATOM 1176 CA ALA A 70 3.195 -0.540 -6.347 1.00 0.00 C ATOM 1177 C ALA A 70 2.141 -1.594 -6.620 1.00 0.00 C ATOM 1178 O ALA A 70 1.754 -2.344 -5.747 1.00 0.00 O ATOM 1179 CB ALA A 70 2.549 0.784 -5.962 1.00 0.00 C ATOM 0 H ALA A 70 3.778 0.652 -8.006 1.00 0.00 H new ATOM 0 HA ALA A 70 3.839 -0.905 -5.547 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.988 0.660 -5.036 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.323 1.538 -5.819 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.873 1.103 -6.755 1.00 0.00 H new ATOM 1185 N ARG A 71 1.698 -1.683 -7.844 1.00 0.00 N ATOM 1186 CA ARG A 71 0.705 -2.711 -8.176 1.00 0.00 C ATOM 1187 C ARG A 71 1.386 -4.053 -8.005 1.00 0.00 C ATOM 1188 O ARG A 71 0.816 -5.001 -7.504 1.00 0.00 O ATOM 1189 CB ARG A 71 0.329 -2.469 -9.639 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.614 -3.578 -10.113 1.00 0.00 C ATOM 1191 CD ARG A 71 -0.037 -4.234 -11.370 1.00 0.00 C ATOM 1192 NE ARG A 71 -0.725 -3.555 -12.507 1.00 0.00 N ATOM 1193 CZ ARG A 71 -1.958 -3.868 -12.834 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -2.618 -4.787 -12.174 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -2.533 -3.257 -13.833 1.00 0.00 N ATOM 0 H ARG A 71 1.987 -1.085 -8.618 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.187 -2.683 -7.551 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.152 -1.497 -9.746 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.226 -2.450 -10.258 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.742 -4.322 -9.327 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.601 -3.166 -10.325 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.043 -4.100 -11.425 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.226 -5.307 -11.378 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.231 -2.838 -13.038 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.175 -5.271 -11.393 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.575 -5.018 -12.441 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.025 -2.542 -14.354 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.490 -3.494 -14.093 1.00 0.00 H new ATOM 1209 N ARG A 72 2.633 -4.124 -8.392 1.00 0.00 N ATOM 1210 CA ARG A 72 3.372 -5.392 -8.233 1.00 0.00 C ATOM 1211 C ARG A 72 3.450 -5.736 -6.750 1.00 0.00 C ATOM 1212 O ARG A 72 3.434 -6.887 -6.362 1.00 0.00 O ATOM 1213 CB ARG A 72 4.761 -5.129 -8.810 1.00 0.00 C ATOM 1214 CG ARG A 72 4.995 -6.071 -9.988 1.00 0.00 C ATOM 1215 CD ARG A 72 6.090 -5.505 -10.896 1.00 0.00 C ATOM 1216 NE ARG A 72 5.916 -6.218 -12.197 1.00 0.00 N ATOM 1217 CZ ARG A 72 4.863 -5.996 -12.950 1.00 0.00 C ATOM 1218 NH1 ARG A 72 3.945 -5.135 -12.588 1.00 0.00 N ATOM 1219 NH2 ARG A 72 4.730 -6.640 -14.078 1.00 0.00 N ATOM 0 H ARG A 72 3.162 -3.358 -8.808 1.00 0.00 H new ATOM 0 HA ARG A 72 2.893 -6.230 -8.740 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.844 -4.092 -9.135 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.522 -5.285 -8.046 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.285 -7.057 -9.625 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.071 -6.198 -10.553 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.984 -4.427 -11.019 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.081 -5.682 -10.478 1.00 0.00 H new ATOM 0 HE ARG A 72 6.624 -6.885 -12.504 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.042 -4.625 -11.710 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.133 -4.974 -13.184 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.441 -7.311 -14.369 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.915 -6.473 -14.668 1.00 0.00 H new ATOM 1233 N LEU A 73 3.521 -4.735 -5.918 1.00 0.00 N ATOM 1234 CA LEU A 73 3.584 -4.977 -4.464 1.00 0.00 C ATOM 1235 C LEU A 73 2.192 -5.338 -3.958 1.00 0.00 C ATOM 1236 O LEU A 73 2.035 -6.176 -3.093 1.00 0.00 O ATOM 1237 CB LEU A 73 4.078 -3.666 -3.849 1.00 0.00 C ATOM 1238 CG LEU A 73 5.389 -3.249 -4.521 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.666 -1.773 -4.237 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.540 -4.093 -3.973 1.00 0.00 C ATOM 0 H LEU A 73 3.538 -3.753 -6.193 1.00 0.00 H new ATOM 0 HA LEU A 73 4.248 -5.800 -4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.327 -2.886 -3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.230 -3.789 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 73 5.304 -3.404 -5.597 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.600 -1.479 -4.717 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.850 -1.167 -4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.746 -1.618 -3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.472 -3.794 -4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.622 -3.942 -2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.348 -5.146 -4.178 1.00 0.00 H new ATOM 1252 N LEU A 74 1.173 -4.741 -4.517 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.198 -5.096 -4.084 1.00 0.00 C ATOM 1254 C LEU A 74 -0.432 -6.558 -4.442 1.00 0.00 C ATOM 1255 O LEU A 74 -1.163 -7.270 -3.784 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.132 -4.178 -4.869 1.00 0.00 C ATOM 1257 CG LEU A 74 -0.988 -2.756 -4.341 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -1.847 -1.811 -5.175 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -1.441 -2.703 -2.881 1.00 0.00 C ATOM 0 H LEU A 74 1.235 -4.031 -5.247 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.363 -4.974 -3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.888 -4.212 -5.931 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.164 -4.515 -4.768 1.00 0.00 H new ATOM 0 HG LEU A 74 0.056 -2.451 -4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.743 -0.794 -4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.522 -1.846 -6.215 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.891 -2.117 -5.111 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.337 -1.685 -2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.484 -3.011 -2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.824 -3.375 -2.284 1.00 0.00 H new ATOM 1271 N ARG A 75 0.229 -7.013 -5.476 1.00 0.00 N ATOM 1272 CA ARG A 75 0.103 -8.430 -5.881 1.00 0.00 C ATOM 1273 C ARG A 75 0.963 -9.264 -4.949 1.00 0.00 C ATOM 1274 O ARG A 75 0.674 -10.409 -4.663 1.00 0.00 O ATOM 1275 CB ARG A 75 0.637 -8.489 -7.312 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.467 -8.980 -8.245 1.00 0.00 C ATOM 1277 CD ARG A 75 0.126 -9.288 -9.622 1.00 0.00 C ATOM 1278 NE ARG A 75 -1.026 -9.199 -10.566 1.00 0.00 N ATOM 1279 CZ ARG A 75 -0.898 -9.566 -11.819 1.00 0.00 C ATOM 1280 NH1 ARG A 75 0.244 -10.021 -12.274 1.00 0.00 N ATOM 1281 NH2 ARG A 75 -1.921 -9.479 -12.624 1.00 0.00 N ATOM 0 H ARG A 75 0.853 -6.453 -6.056 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.918 -8.807 -5.832 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.981 -7.503 -7.625 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.496 -9.157 -7.364 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.936 -9.873 -7.832 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.246 -8.223 -8.334 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.907 -8.575 -9.884 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.579 -10.279 -9.644 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.924 -8.848 -10.233 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.049 -10.094 -11.651 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.328 -10.302 -13.251 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.814 -9.127 -12.278 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.828 -9.763 -13.599 1.00 0.00 H new ATOM 1295 N GLN A 76 2.020 -8.681 -4.458 1.00 0.00 N ATOM 1296 CA GLN A 76 2.903 -9.404 -3.531 1.00 0.00 C ATOM 1297 C GLN A 76 2.212 -9.527 -2.190 1.00 0.00 C ATOM 1298 O GLN A 76 2.335 -10.512 -1.489 1.00 0.00 O ATOM 1299 CB GLN A 76 4.142 -8.530 -3.451 1.00 0.00 C ATOM 1300 CG GLN A 76 5.311 -9.335 -2.890 1.00 0.00 C ATOM 1301 CD GLN A 76 5.784 -10.338 -3.945 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.975 -11.501 -3.652 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.984 -9.929 -5.168 1.00 0.00 N ATOM 0 H GLN A 76 2.304 -7.724 -4.668 1.00 0.00 H new ATOM 0 HA GLN A 76 3.151 -10.417 -3.848 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.393 -8.149 -4.441 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.947 -7.665 -2.817 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.128 -8.668 -2.613 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.006 -9.859 -1.984 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.823 -8.952 -5.412 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.301 -10.587 -5.880 1.00 0.00 H new ATOM 1312 N ALA A 77 1.458 -8.535 -1.854 1.00 0.00 N ATOM 1313 CA ALA A 77 0.708 -8.573 -0.578 1.00 0.00 C ATOM 1314 C ALA A 77 -0.412 -9.623 -0.658 1.00 0.00 C ATOM 1315 O ALA A 77 -1.063 -9.924 0.323 1.00 0.00 O ATOM 1316 CB ALA A 77 0.115 -7.171 -0.423 1.00 0.00 C ATOM 0 H ALA A 77 1.325 -7.691 -2.410 1.00 0.00 H new ATOM 0 HA ALA A 77 1.342 -8.842 0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.458 -7.119 0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.920 -6.437 -0.394 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.540 -6.958 -1.268 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.643 -10.182 -1.823 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.719 -11.206 -1.968 1.00 0.00 C ATOM 1324 C GLY A 78 -3.067 -10.505 -2.151 1.00 0.00 C ATOM 1325 O GLY A 78 -4.072 -10.925 -1.615 1.00 0.00 O ATOM 0 H GLY A 78 -0.130 -9.971 -2.679 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.512 -11.849 -2.824 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.747 -11.847 -1.087 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.095 -9.428 -2.894 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.371 -8.690 -3.095 1.00 0.00 C ATOM 1331 C VAL A 79 -5.053 -9.075 -4.415 1.00 0.00 C ATOM 1332 O VAL A 79 -6.155 -8.646 -4.695 1.00 0.00 O ATOM 1333 CB VAL A 79 -3.977 -7.219 -3.119 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.236 -6.359 -3.232 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.225 -6.859 -1.834 1.00 0.00 C ATOM 0 H VAL A 79 -2.285 -9.030 -3.370 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.087 -8.923 -2.306 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.328 -7.034 -3.975 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.957 -5.306 -3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.766 -6.609 -4.151 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.884 -6.548 -2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.946 -5.805 -1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.867 -7.045 -0.973 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.326 -7.470 -1.755 1.00 0.00 H new