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 Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180: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+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot -39:sc= 0.562 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 -127:sc= 0.0918 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0426 X(o=-0.043,f=-0.39) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 69 THR OG1 : rot -18:sc= 0.426 USER MOD Single : A 76 GLN : amide:sc= -0.494 X(o=-0.49,f=-0.087) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.074 8.491 -7.571 1.00 0.00 N ATOM 21 CA VAL A 2 -7.662 7.578 -6.465 1.00 0.00 C ATOM 22 C VAL A 2 -6.632 6.564 -6.972 1.00 0.00 C ATOM 23 O VAL A 2 -6.956 5.654 -7.707 1.00 0.00 O ATOM 24 CB VAL A 2 -8.947 6.867 -6.041 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.646 5.907 -4.888 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.976 7.904 -5.585 1.00 0.00 C ATOM 0 HA VAL A 2 -7.199 8.115 -5.637 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.345 6.305 -6.886 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.563 5.401 -4.587 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.913 5.168 -5.212 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.247 6.467 -4.043 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.893 7.398 -5.282 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.576 8.466 -4.741 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.193 8.587 -6.406 1.00 0.00 H new ATOM 36 N LYS A 3 -5.395 6.716 -6.587 1.00 0.00 N ATOM 37 CA LYS A 3 -4.350 5.758 -7.052 1.00 0.00 C ATOM 38 C LYS A 3 -3.374 5.440 -5.915 1.00 0.00 C ATOM 39 O LYS A 3 -2.974 6.312 -5.167 1.00 0.00 O ATOM 40 CB LYS A 3 -3.622 6.487 -8.185 1.00 0.00 C ATOM 41 CG LYS A 3 -4.626 6.902 -9.263 1.00 0.00 C ATOM 42 CD LYS A 3 -3.903 7.694 -10.356 1.00 0.00 C ATOM 43 CE LYS A 3 -3.276 6.726 -11.362 1.00 0.00 C ATOM 44 NZ LYS A 3 -2.251 7.531 -12.084 1.00 0.00 N ATOM 0 H LYS A 3 -5.062 7.459 -5.973 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.779 4.811 -7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.110 7.366 -7.794 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.859 5.839 -8.616 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.101 6.020 -9.692 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.418 7.508 -8.823 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.604 8.357 -10.863 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.132 8.324 -9.913 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.824 5.871 -10.858 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.024 6.332 -12.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.777 6.935 -12.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.711 8.333 -12.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.548 7.887 -11.405 1.00 0.00 H new ATOM 58 N ILE A 4 -2.975 4.203 -5.781 1.00 0.00 N ATOM 59 CA ILE A 4 -2.016 3.846 -4.703 1.00 0.00 C ATOM 60 C ILE A 4 -0.603 3.738 -5.292 1.00 0.00 C ATOM 61 O ILE A 4 -0.413 3.229 -6.376 1.00 0.00 O ATOM 62 CB ILE A 4 -2.507 2.512 -4.142 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.820 2.735 -3.391 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.466 1.935 -3.181 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.594 1.423 -3.329 1.00 0.00 C ATOM 0 H ILE A 4 -3.273 3.427 -6.372 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.967 4.595 -3.913 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.663 1.812 -4.963 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.619 3.100 -2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.415 3.498 -3.893 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.823 0.984 -2.785 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.528 1.777 -3.713 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.304 2.632 -2.359 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.531 1.578 -2.794 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.807 1.078 -4.341 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.998 0.674 -2.808 1.00 0.00 H new ATOM 77 N ARG A 5 0.390 4.228 -4.599 1.00 0.00 N ATOM 78 CA ARG A 5 1.774 4.161 -5.145 1.00 0.00 C ATOM 79 C ARG A 5 2.802 4.089 -4.016 1.00 0.00 C ATOM 80 O ARG A 5 2.462 3.885 -2.871 1.00 0.00 O ATOM 81 CB ARG A 5 1.944 5.450 -5.949 1.00 0.00 C ATOM 82 CG ARG A 5 1.723 6.654 -5.032 1.00 0.00 C ATOM 83 CD ARG A 5 2.772 7.728 -5.335 1.00 0.00 C ATOM 84 NE ARG A 5 2.094 8.674 -6.269 1.00 0.00 N ATOM 85 CZ ARG A 5 2.731 9.717 -6.748 1.00 0.00 C ATOM 86 NH1 ARG A 5 3.976 9.956 -6.419 1.00 0.00 N ATOM 87 NH2 ARG A 5 2.113 10.528 -7.562 1.00 0.00 N ATOM 0 H ARG A 5 0.302 4.669 -3.684 1.00 0.00 H new ATOM 0 HA ARG A 5 1.928 3.272 -5.757 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.942 5.490 -6.386 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.233 5.473 -6.775 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.721 7.058 -5.179 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.793 6.347 -3.988 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.094 8.234 -4.425 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.662 7.294 -5.790 1.00 0.00 H new ATOM 0 HE ARG A 5 1.124 8.508 -6.538 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.465 9.327 -5.782 1.00 0.00 H new ATOM 0 HH12 ARG A 5 4.457 10.771 -6.800 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.143 10.349 -7.821 1.00 0.00 H new ATOM 0 HH22 ARG A 5 2.600 11.341 -7.939 1.00 0.00 H new ATOM 101 N LEU A 6 4.058 4.259 -4.330 1.00 0.00 N ATOM 102 CA LEU A 6 5.109 4.192 -3.273 1.00 0.00 C ATOM 103 C LEU A 6 5.340 5.573 -2.652 1.00 0.00 C ATOM 104 O LEU A 6 5.541 6.551 -3.343 1.00 0.00 O ATOM 105 CB LEU A 6 6.372 3.735 -4.008 1.00 0.00 C ATOM 106 CG LEU A 6 6.274 2.246 -4.331 1.00 0.00 C ATOM 107 CD1 LEU A 6 5.444 2.048 -5.602 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.679 1.682 -4.550 1.00 0.00 C ATOM 0 H LEU A 6 4.402 4.441 -5.273 1.00 0.00 H new ATOM 0 HA LEU A 6 4.828 3.521 -2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.496 4.308 -4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.251 3.926 -3.392 1.00 0.00 H new ATOM 0 HG LEU A 6 5.794 1.726 -3.501 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.376 0.984 -5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.443 2.451 -5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.921 2.567 -6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.612 0.619 -4.781 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.155 2.204 -5.380 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.272 1.820 -3.646 1.00 0.00 H new ATOM 120 N ALA A 7 5.310 5.659 -1.347 1.00 0.00 N ATOM 121 CA ALA A 7 5.524 6.976 -0.678 1.00 0.00 C ATOM 122 C ALA A 7 6.948 7.082 -0.138 1.00 0.00 C ATOM 123 O ALA A 7 7.276 6.517 0.880 1.00 0.00 O ATOM 124 CB ALA A 7 4.523 6.992 0.470 1.00 0.00 C ATOM 0 H ALA A 7 5.147 4.874 -0.716 1.00 0.00 H new ATOM 0 HA ALA A 7 5.386 7.811 -1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.613 7.930 1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.512 6.899 0.073 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.727 6.158 1.142 1.00 0.00 H new ATOM 130 N ARG A 8 7.793 7.800 -0.814 1.00 0.00 N ATOM 131 CA ARG A 8 9.200 7.939 -0.352 1.00 0.00 C ATOM 132 C ARG A 8 9.297 8.811 0.905 1.00 0.00 C ATOM 133 O ARG A 8 8.950 9.975 0.889 1.00 0.00 O ATOM 134 CB ARG A 8 9.910 8.627 -1.514 1.00 0.00 C ATOM 135 CG ARG A 8 11.423 8.534 -1.320 1.00 0.00 C ATOM 136 CD ARG A 8 11.955 9.888 -0.843 1.00 0.00 C ATOM 137 NE ARG A 8 13.381 9.639 -0.489 1.00 0.00 N ATOM 138 CZ ARG A 8 14.296 9.532 -1.423 1.00 0.00 C ATOM 139 NH1 ARG A 8 13.979 9.628 -2.692 1.00 0.00 N ATOM 140 NH2 ARG A 8 15.538 9.323 -1.085 1.00 0.00 N ATOM 0 H ARG A 8 7.570 8.301 -1.674 1.00 0.00 H new ATOM 0 HA ARG A 8 9.634 6.974 -0.089 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.625 8.158 -2.456 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.605 9.672 -1.572 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.661 7.759 -0.591 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.905 8.250 -2.256 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.868 10.643 -1.624 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.393 10.252 0.017 1.00 0.00 H new ATOM 0 HE ARG A 8 13.649 9.551 0.491 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.009 9.788 -2.965 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.702 9.543 -3.406 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.792 9.244 -0.100 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.255 9.239 -1.805 1.00 0.00 H new ATOM 276 N TYR A 17 9.453 2.925 1.000 1.00 0.00 N ATOM 277 CA TYR A 17 8.273 3.699 0.575 1.00 0.00 C ATOM 278 C TYR A 17 7.035 2.933 1.000 1.00 0.00 C ATOM 279 O TYR A 17 7.059 1.721 1.041 1.00 0.00 O ATOM 280 CB TYR A 17 8.301 3.718 -0.945 1.00 0.00 C ATOM 281 CG TYR A 17 9.603 4.250 -1.475 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.778 3.510 -1.328 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.624 5.478 -2.140 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.978 3.999 -1.844 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.823 5.970 -2.656 1.00 0.00 C ATOM 286 CZ TYR A 17 12.003 5.231 -2.509 1.00 0.00 C ATOM 287 OH TYR A 17 13.191 5.715 -3.021 1.00 0.00 O ATOM 0 HA TYR A 17 8.270 4.703 1.000 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.140 2.709 -1.324 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.480 4.332 -1.316 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.758 2.560 -0.815 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.713 6.046 -2.255 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.887 3.428 -1.731 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.841 6.920 -3.169 1.00 0.00 H new ATOM 0 HH TYR A 17 13.033 6.581 -3.452 1.00 0.00 H new ATOM 297 N ARG A 18 5.946 3.585 1.268 1.00 0.00 N ATOM 298 CA ARG A 18 4.735 2.806 1.620 1.00 0.00 C ATOM 299 C ARG A 18 3.857 2.722 0.391 1.00 0.00 C ATOM 300 O ARG A 18 3.990 3.497 -0.533 1.00 0.00 O ATOM 301 CB ARG A 18 4.007 3.563 2.723 1.00 0.00 C ATOM 302 CG ARG A 18 4.760 3.406 4.043 1.00 0.00 C ATOM 303 CD ARG A 18 3.870 2.686 5.062 1.00 0.00 C ATOM 304 NE ARG A 18 3.809 3.601 6.238 1.00 0.00 N ATOM 305 CZ ARG A 18 3.072 4.687 6.209 1.00 0.00 C ATOM 306 NH1 ARG A 18 2.374 4.999 5.144 1.00 0.00 N ATOM 307 NH2 ARG A 18 3.032 5.466 7.254 1.00 0.00 N ATOM 0 H ARG A 18 5.841 4.600 1.260 1.00 0.00 H new ATOM 0 HA ARG A 18 4.986 1.801 1.959 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.929 4.618 2.462 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.990 3.184 2.827 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.678 2.841 3.884 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.050 4.384 4.426 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.876 2.500 4.655 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.289 1.718 5.337 1.00 0.00 H new ATOM 0 HE ARG A 18 4.347 3.380 7.076 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.399 4.395 4.323 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.806 5.846 5.137 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.571 5.230 8.087 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.461 6.311 7.238 1.00 0.00 H new ATOM 321 N ILE A 19 2.932 1.829 0.393 1.00 0.00 N ATOM 322 CA ILE A 19 2.008 1.735 -0.747 1.00 0.00 C ATOM 323 C ILE A 19 0.786 2.488 -0.260 1.00 0.00 C ATOM 324 O ILE A 19 -0.137 1.928 0.291 1.00 0.00 O ATOM 325 CB ILE A 19 1.716 0.242 -0.991 1.00 0.00 C ATOM 326 CG1 ILE A 19 2.785 -0.672 -0.379 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.711 -0.033 -2.488 1.00 0.00 C ATOM 328 CD1 ILE A 19 4.156 -0.262 -0.906 1.00 0.00 C ATOM 0 H ILE A 19 2.773 1.154 1.141 1.00 0.00 H new ATOM 0 HA ILE A 19 2.376 2.144 -1.688 1.00 0.00 H new ATOM 0 HB ILE A 19 0.753 0.032 -0.526 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.763 -0.600 0.708 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.580 -1.712 -0.633 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.505 -1.089 -2.663 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.941 0.572 -2.966 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.684 0.221 -2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.920 -0.908 -0.474 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.172 -0.357 -1.992 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.358 0.773 -0.629 1.00 0.00 H new ATOM 340 N VAL A 20 0.851 3.784 -0.358 1.00 0.00 N ATOM 341 CA VAL A 20 -0.217 4.635 0.203 1.00 0.00 C ATOM 342 C VAL A 20 -1.229 5.063 -0.864 1.00 0.00 C ATOM 343 O VAL A 20 -1.017 4.900 -2.049 1.00 0.00 O ATOM 344 CB VAL A 20 0.585 5.813 0.811 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.553 7.060 -0.078 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.023 6.154 2.188 1.00 0.00 C ATOM 0 H VAL A 20 1.611 4.291 -0.810 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.843 4.135 0.942 1.00 0.00 H new ATOM 0 HB VAL A 20 1.625 5.495 0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.129 7.857 0.392 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.985 6.825 -1.051 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.478 7.387 -0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.587 6.983 2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.025 6.439 2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.105 5.284 2.840 1.00 0.00 H new ATOM 356 N VAL A 21 -2.351 5.564 -0.429 1.00 0.00 N ATOM 357 CA VAL A 21 -3.426 5.960 -1.375 1.00 0.00 C ATOM 358 C VAL A 21 -3.560 7.484 -1.438 1.00 0.00 C ATOM 359 O VAL A 21 -4.047 8.112 -0.520 1.00 0.00 O ATOM 360 CB VAL A 21 -4.726 5.339 -0.813 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.533 4.749 -1.962 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.443 4.222 0.197 1.00 0.00 C ATOM 0 H VAL A 21 -2.570 5.717 0.555 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.210 5.615 -2.386 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.275 6.131 -0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.451 4.309 -1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.781 5.536 -2.674 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.945 3.979 -2.462 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.386 3.816 0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.871 3.430 -0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.871 4.624 1.033 1.00 0.00 H new ATOM 372 N THR A 22 -3.148 8.081 -2.521 1.00 0.00 N ATOM 373 CA THR A 22 -3.268 9.562 -2.648 1.00 0.00 C ATOM 374 C THR A 22 -3.760 9.928 -4.049 1.00 0.00 C ATOM 375 O THR A 22 -4.093 9.071 -4.844 1.00 0.00 O ATOM 376 CB THR A 22 -1.860 10.122 -2.413 1.00 0.00 C ATOM 377 OG1 THR A 22 -1.837 11.501 -2.758 1.00 0.00 O ATOM 378 CG2 THR A 22 -0.841 9.369 -3.271 1.00 0.00 C ATOM 0 H THR A 22 -2.733 7.609 -3.324 1.00 0.00 H new ATOM 0 HA THR A 22 -3.982 9.972 -1.933 1.00 0.00 H new ATOM 0 HB THR A 22 -1.600 9.998 -1.362 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.938 11.861 -2.607 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.155 9.776 -3.095 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.853 8.312 -3.006 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.098 9.482 -4.324 1.00 0.00 H new ATOM 543 N TYR A 32 -1.725 11.716 1.388 1.00 0.00 N ATOM 544 CA TYR A 32 -2.622 10.625 0.894 1.00 0.00 C ATOM 545 C TYR A 32 -3.909 10.580 1.716 1.00 0.00 C ATOM 546 O TYR A 32 -4.170 11.440 2.534 1.00 0.00 O ATOM 547 CB TYR A 32 -1.836 9.315 1.075 1.00 0.00 C ATOM 548 CG TYR A 32 -1.189 9.281 2.443 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.957 8.995 3.577 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.180 9.543 2.572 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.356 8.970 4.842 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.782 9.520 3.836 1.00 0.00 C ATOM 553 CZ TYR A 32 0.013 9.234 4.970 1.00 0.00 C ATOM 554 OH TYR A 32 0.607 9.213 6.216 1.00 0.00 O ATOM 0 HA TYR A 32 -2.905 10.785 -0.146 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.504 8.462 0.959 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.073 9.230 0.301 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.013 8.793 3.477 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.772 9.763 1.696 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.948 8.747 5.718 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.838 9.723 3.936 1.00 0.00 H new ATOM 0 HH TYR A 32 1.562 9.416 6.127 1.00 0.00 H new ATOM 564 N ILE A 33 -4.715 9.576 1.502 1.00 0.00 N ATOM 565 CA ILE A 33 -5.988 9.459 2.266 1.00 0.00 C ATOM 566 C ILE A 33 -5.812 8.476 3.425 1.00 0.00 C ATOM 567 O ILE A 33 -6.477 8.566 4.437 1.00 0.00 O ATOM 568 CB ILE A 33 -6.998 8.922 1.255 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.157 9.924 0.111 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.347 8.713 1.941 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.534 9.180 -1.170 1.00 0.00 C ATOM 0 H ILE A 33 -4.545 8.829 0.828 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.307 10.407 2.699 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.642 7.971 0.858 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.926 10.656 0.359 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.228 10.475 -0.036 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.067 8.330 1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.234 7.997 2.755 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.704 9.663 2.340 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.647 9.894 -1.986 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.750 8.465 -1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.474 8.649 -1.019 1.00 0.00 H new ATOM 583 N GLU A 34 -4.915 7.539 3.282 1.00 0.00 N ATOM 584 CA GLU A 34 -4.687 6.547 4.371 1.00 0.00 C ATOM 585 C GLU A 34 -3.500 5.647 4.015 1.00 0.00 C ATOM 586 O GLU A 34 -3.060 5.604 2.884 1.00 0.00 O ATOM 587 CB GLU A 34 -5.978 5.732 4.440 1.00 0.00 C ATOM 588 CG GLU A 34 -6.514 5.744 5.873 1.00 0.00 C ATOM 589 CD GLU A 34 -7.926 5.155 5.891 1.00 0.00 C ATOM 590 OE1 GLU A 34 -8.123 4.121 5.275 1.00 0.00 O ATOM 591 OE2 GLU A 34 -8.786 5.750 6.520 1.00 0.00 O ATOM 0 H GLU A 34 -4.329 7.417 2.456 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.456 7.020 5.325 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.720 6.149 3.759 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.791 4.707 4.119 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.858 5.165 6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.528 6.763 6.260 1.00 0.00 H new ATOM 598 N LYS A 35 -2.979 4.928 4.970 1.00 0.00 N ATOM 599 CA LYS A 35 -1.821 4.034 4.677 1.00 0.00 C ATOM 600 C LYS A 35 -2.287 2.575 4.576 1.00 0.00 C ATOM 601 O LYS A 35 -2.702 1.975 5.547 1.00 0.00 O ATOM 602 CB LYS A 35 -0.858 4.223 5.856 1.00 0.00 C ATOM 603 CG LYS A 35 -1.505 3.719 7.149 1.00 0.00 C ATOM 604 CD LYS A 35 -1.239 4.715 8.279 1.00 0.00 C ATOM 605 CE LYS A 35 -2.150 4.396 9.467 1.00 0.00 C ATOM 606 NZ LYS A 35 -2.189 5.649 10.272 1.00 0.00 N ATOM 0 H LYS A 35 -3.302 4.920 5.937 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.344 4.275 3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.069 3.681 5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.597 5.276 5.957 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.578 3.595 7.006 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.103 2.740 7.411 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.194 4.664 8.585 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.420 5.732 7.931 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.148 4.110 9.133 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.759 3.563 10.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.795 5.508 11.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.227 5.893 10.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.572 6.422 9.692 1.00 0.00 H new ATOM 620 N ILE A 36 -2.234 2.001 3.402 1.00 0.00 N ATOM 621 CA ILE A 36 -2.685 0.585 3.250 1.00 0.00 C ATOM 622 C ILE A 36 -1.495 -0.348 3.080 1.00 0.00 C ATOM 623 O ILE A 36 -1.548 -1.505 3.452 1.00 0.00 O ATOM 624 CB ILE A 36 -3.557 0.581 1.997 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.755 1.124 0.808 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.778 1.465 2.239 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.496 0.841 -0.493 1.00 0.00 C ATOM 0 H ILE A 36 -1.901 2.447 2.548 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.227 0.234 4.128 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.877 -0.437 1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.601 2.197 0.922 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.768 0.661 0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.407 1.468 1.349 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.347 1.077 3.084 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.453 2.482 2.457 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.919 1.230 -1.332 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.627 -0.235 -0.610 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.472 1.325 -0.468 1.00 0.00 H new ATOM 639 N GLY A 37 -0.436 0.124 2.499 1.00 0.00 N ATOM 640 CA GLY A 37 0.727 -0.767 2.290 1.00 0.00 C ATOM 641 C GLY A 37 2.019 -0.173 2.845 1.00 0.00 C ATOM 642 O GLY A 37 2.121 1.001 3.135 1.00 0.00 O ATOM 0 H GLY A 37 -0.326 1.080 2.162 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.536 -1.728 2.768 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.847 -0.960 1.224 1.00 0.00 H new ATOM 646 N TYR A 38 3.026 -1.003 2.928 1.00 0.00 N ATOM 647 CA TYR A 38 4.371 -0.557 3.388 1.00 0.00 C ATOM 648 C TYR A 38 5.431 -1.280 2.540 1.00 0.00 C ATOM 649 O TYR A 38 5.448 -2.495 2.481 1.00 0.00 O ATOM 650 CB TYR A 38 4.465 -0.975 4.861 1.00 0.00 C ATOM 651 CG TYR A 38 5.894 -0.841 5.352 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.673 0.259 4.967 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.437 -1.821 6.192 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.992 0.377 5.423 1.00 0.00 C ATOM 655 CE2 TYR A 38 7.756 -1.702 6.647 1.00 0.00 C ATOM 656 CZ TYR A 38 8.532 -0.604 6.263 1.00 0.00 C ATOM 657 OH TYR A 38 9.833 -0.489 6.712 1.00 0.00 O ATOM 0 H TYR A 38 2.969 -1.993 2.690 1.00 0.00 H new ATOM 0 HA TYR A 38 4.528 0.517 3.285 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.805 -0.354 5.466 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.128 -2.005 4.977 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.256 1.016 4.319 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.838 -2.669 6.489 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.592 1.225 5.127 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.174 -2.458 7.295 1.00 0.00 H new ATOM 0 HH TYR A 38 10.399 -0.142 5.991 1.00 0.00 H new ATOM 667 N TYR A 39 6.320 -0.568 1.896 1.00 0.00 N ATOM 668 CA TYR A 39 7.361 -1.268 1.082 1.00 0.00 C ATOM 669 C TYR A 39 8.756 -0.813 1.532 1.00 0.00 C ATOM 670 O TYR A 39 9.015 0.368 1.664 1.00 0.00 O ATOM 671 CB TYR A 39 7.118 -0.878 -0.383 1.00 0.00 C ATOM 672 CG TYR A 39 8.272 -1.348 -1.252 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.936 -2.547 -0.955 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.666 -0.592 -2.361 1.00 0.00 C ATOM 675 CE1 TYR A 39 9.990 -2.986 -1.764 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.722 -1.029 -3.169 1.00 0.00 C ATOM 677 CZ TYR A 39 10.385 -2.226 -2.871 1.00 0.00 C ATOM 678 OH TYR A 39 11.422 -2.659 -3.673 1.00 0.00 O ATOM 0 H TYR A 39 6.372 0.451 1.897 1.00 0.00 H new ATOM 0 HA TYR A 39 7.303 -2.349 1.206 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.186 -1.320 -0.734 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.009 0.203 -0.465 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.633 -3.133 -0.100 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.155 0.330 -2.594 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.498 -3.911 -1.534 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.026 -0.442 -4.023 1.00 0.00 H new ATOM 0 HH TYR A 39 11.566 -2.015 -4.397 1.00 0.00 H new ATOM 688 N ASP A 40 9.656 -1.726 1.769 1.00 0.00 N ATOM 689 CA ASP A 40 11.023 -1.316 2.205 1.00 0.00 C ATOM 690 C ASP A 40 12.089 -2.193 1.534 1.00 0.00 C ATOM 691 O ASP A 40 12.426 -3.245 2.037 1.00 0.00 O ATOM 692 CB ASP A 40 11.033 -1.524 3.720 1.00 0.00 C ATOM 693 CG ASP A 40 12.287 -0.879 4.315 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.260 -0.743 3.591 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.254 -0.534 5.484 1.00 0.00 O ATOM 0 H ASP A 40 9.508 -2.731 1.681 1.00 0.00 H new ATOM 0 HA ASP A 40 11.249 -0.285 1.931 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.140 -1.085 4.164 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.014 -2.589 3.952 1.00 0.00 H new ATOM 838 N LEU A 49 7.842 -6.714 1.999 1.00 0.00 N ATOM 839 CA LEU A 49 6.502 -6.197 1.592 1.00 0.00 C ATOM 840 C LEU A 49 5.471 -6.457 2.692 1.00 0.00 C ATOM 841 O LEU A 49 5.127 -7.585 2.981 1.00 0.00 O ATOM 842 CB LEU A 49 6.141 -6.991 0.336 1.00 0.00 C ATOM 843 CG LEU A 49 4.939 -6.344 -0.354 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.142 -6.380 -1.869 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.669 -7.117 0.008 1.00 0.00 C ATOM 0 HA LEU A 49 6.515 -5.122 1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.992 -7.020 -0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.909 -8.023 0.600 1.00 0.00 H new ATOM 0 HG LEU A 49 4.843 -5.309 -0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.286 -5.919 -2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.048 -5.832 -2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.237 -7.415 -2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.811 -6.657 -0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.766 -8.151 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.524 -7.094 1.088 1.00 0.00 H new ATOM 857 N LYS A 50 4.963 -5.420 3.293 1.00 0.00 N ATOM 858 CA LYS A 50 3.939 -5.599 4.362 1.00 0.00 C ATOM 859 C LYS A 50 2.714 -4.749 4.027 1.00 0.00 C ATOM 860 O LYS A 50 2.647 -3.583 4.363 1.00 0.00 O ATOM 861 CB LYS A 50 4.606 -5.104 5.646 1.00 0.00 C ATOM 862 CG LYS A 50 3.612 -5.195 6.806 1.00 0.00 C ATOM 863 CD LYS A 50 4.115 -6.211 7.834 1.00 0.00 C ATOM 864 CE LYS A 50 2.938 -6.711 8.675 1.00 0.00 C ATOM 865 NZ LYS A 50 3.055 -5.985 9.970 1.00 0.00 N ATOM 0 H LYS A 50 5.212 -4.452 3.091 1.00 0.00 H new ATOM 0 HA LYS A 50 3.607 -6.632 4.462 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.490 -5.703 5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.941 -4.074 5.521 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.493 -4.218 7.274 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.631 -5.493 6.435 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.596 -7.048 7.328 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.866 -5.752 8.477 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.986 -6.499 8.188 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.987 -7.790 8.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.281 -6.275 10.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.968 -6.212 10.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.998 -4.961 9.800 1.00 0.00 H new ATOM 879 N VAL A 51 1.750 -5.311 3.348 1.00 0.00 N ATOM 880 CA VAL A 51 0.551 -4.509 2.981 1.00 0.00 C ATOM 881 C VAL A 51 -0.712 -5.081 3.624 1.00 0.00 C ATOM 882 O VAL A 51 -0.957 -6.271 3.598 1.00 0.00 O ATOM 883 CB VAL A 51 0.480 -4.583 1.431 1.00 0.00 C ATOM 884 CG1 VAL A 51 -0.963 -4.777 0.928 1.00 0.00 C ATOM 885 CG2 VAL A 51 1.002 -3.283 0.840 1.00 0.00 C ATOM 0 H VAL A 51 1.741 -6.282 3.035 1.00 0.00 H new ATOM 0 HA VAL A 51 0.622 -3.481 3.335 1.00 0.00 H new ATOM 0 HB VAL A 51 1.082 -5.437 1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.966 -4.823 -0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.367 -5.705 1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.579 -3.940 1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.953 -3.332 -0.248 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.392 -2.452 1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.036 -3.132 1.150 1.00 0.00 H new ATOM 895 N ASP A 52 -1.547 -4.225 4.134 1.00 0.00 N ATOM 896 CA ASP A 52 -2.827 -4.703 4.698 1.00 0.00 C ATOM 897 C ASP A 52 -3.747 -4.961 3.510 1.00 0.00 C ATOM 898 O ASP A 52 -4.681 -4.222 3.272 1.00 0.00 O ATOM 899 CB ASP A 52 -3.352 -3.551 5.557 1.00 0.00 C ATOM 900 CG ASP A 52 -4.120 -4.115 6.753 1.00 0.00 C ATOM 901 OD1 ASP A 52 -4.587 -5.239 6.658 1.00 0.00 O ATOM 902 OD2 ASP A 52 -4.230 -3.414 7.746 1.00 0.00 O ATOM 0 H ASP A 52 -1.396 -3.217 4.183 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.746 -5.610 5.297 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.523 -2.934 5.902 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.003 -2.908 4.964 1.00 0.00 H new ATOM 907 N VAL A 53 -3.441 -5.982 2.738 1.00 0.00 N ATOM 908 CA VAL A 53 -4.243 -6.309 1.507 1.00 0.00 C ATOM 909 C VAL A 53 -5.735 -6.011 1.709 1.00 0.00 C ATOM 910 O VAL A 53 -6.421 -5.635 0.782 1.00 0.00 O ATOM 911 CB VAL A 53 -3.977 -7.808 1.210 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.913 -8.624 2.502 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.080 -8.384 0.313 1.00 0.00 C ATOM 0 H VAL A 53 -2.658 -6.612 2.911 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.944 -5.690 0.661 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.016 -7.873 0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.726 -9.671 2.262 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.108 -8.246 3.132 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.860 -8.538 3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.876 -9.436 0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.043 -8.289 0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.106 -7.837 -0.629 1.00 0.00 H new ATOM 923 N GLU A 54 -6.237 -6.144 2.903 1.00 0.00 N ATOM 924 CA GLU A 54 -7.671 -5.831 3.122 1.00 0.00 C ATOM 925 C GLU A 54 -7.905 -4.341 2.878 1.00 0.00 C ATOM 926 O GLU A 54 -8.792 -3.954 2.144 1.00 0.00 O ATOM 927 CB GLU A 54 -7.957 -6.206 4.576 1.00 0.00 C ATOM 928 CG GLU A 54 -8.363 -7.679 4.654 1.00 0.00 C ATOM 929 CD GLU A 54 -7.750 -8.314 5.903 1.00 0.00 C ATOM 930 OE1 GLU A 54 -8.196 -7.983 6.990 1.00 0.00 O ATOM 931 OE2 GLU A 54 -6.847 -9.119 5.752 1.00 0.00 O ATOM 0 H GLU A 54 -5.722 -6.453 3.728 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.329 -6.376 2.445 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.073 -6.029 5.189 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.753 -5.577 4.975 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.449 -7.766 4.685 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.026 -8.207 3.762 1.00 0.00 H new ATOM 938 N ARG A 55 -7.101 -3.504 3.470 1.00 0.00 N ATOM 939 CA ARG A 55 -7.259 -2.046 3.251 1.00 0.00 C ATOM 940 C ARG A 55 -6.667 -1.678 1.890 1.00 0.00 C ATOM 941 O ARG A 55 -7.152 -0.806 1.200 1.00 0.00 O ATOM 942 CB ARG A 55 -6.478 -1.387 4.385 1.00 0.00 C ATOM 943 CG ARG A 55 -7.456 -0.781 5.396 1.00 0.00 C ATOM 944 CD ARG A 55 -7.170 0.714 5.542 1.00 0.00 C ATOM 945 NE ARG A 55 -5.722 0.790 5.889 1.00 0.00 N ATOM 946 CZ ARG A 55 -5.313 0.664 7.132 1.00 0.00 C ATOM 947 NH1 ARG A 55 -6.160 0.427 8.102 1.00 0.00 N ATOM 948 NH2 ARG A 55 -4.039 0.760 7.400 1.00 0.00 N ATOM 0 H ARG A 55 -6.341 -3.770 4.096 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.300 -1.724 3.250 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.840 -2.122 4.876 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.823 -0.612 3.987 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.483 -0.936 5.064 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.354 -1.278 6.361 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.384 1.250 4.618 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.788 1.161 6.321 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.037 0.942 5.149 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.156 0.337 7.899 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.824 0.332 9.060 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.371 0.931 6.648 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.711 0.664 8.361 1.00 0.00 H new ATOM 962 N ALA A 56 -5.639 -2.363 1.475 1.00 0.00 N ATOM 963 CA ALA A 56 -5.057 -2.071 0.146 1.00 0.00 C ATOM 964 C ALA A 56 -6.060 -2.543 -0.910 1.00 0.00 C ATOM 965 O ALA A 56 -6.091 -2.048 -2.022 1.00 0.00 O ATOM 966 CB ALA A 56 -3.739 -2.853 0.103 1.00 0.00 C ATOM 0 H ALA A 56 -5.181 -3.109 1.999 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.861 -1.015 -0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.248 -2.686 -0.856 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.088 -2.513 0.908 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.943 -3.917 0.226 1.00 0.00 H new ATOM 972 N ARG A 57 -6.916 -3.472 -0.551 1.00 0.00 N ATOM 973 CA ARG A 57 -7.942 -3.945 -1.510 1.00 0.00 C ATOM 974 C ARG A 57 -9.159 -3.010 -1.458 1.00 0.00 C ATOM 975 O ARG A 57 -9.926 -2.921 -2.394 1.00 0.00 O ATOM 976 CB ARG A 57 -8.319 -5.354 -1.049 1.00 0.00 C ATOM 977 CG ARG A 57 -9.479 -5.879 -1.898 1.00 0.00 C ATOM 978 CD ARG A 57 -9.389 -7.404 -1.999 1.00 0.00 C ATOM 979 NE ARG A 57 -9.338 -7.694 -3.462 1.00 0.00 N ATOM 980 CZ ARG A 57 -10.401 -7.543 -4.214 1.00 0.00 C ATOM 981 NH1 ARG A 57 -11.534 -7.128 -3.705 1.00 0.00 N ATOM 982 NH2 ARG A 57 -10.329 -7.808 -5.490 1.00 0.00 N ATOM 0 H ARG A 57 -6.941 -3.917 0.366 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.579 -3.952 -2.538 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.460 -6.019 -1.138 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.603 -5.339 0.003 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.430 -5.589 -1.452 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.445 -5.435 -2.893 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.501 -7.781 -1.491 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.250 -7.882 -1.532 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.465 -8.014 -3.882 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.599 -6.917 -2.709 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.352 -7.016 -4.304 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.450 -8.130 -5.895 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.152 -7.693 -6.082 1.00 0.00 H new ATOM 996 N TYR A 58 -9.316 -2.287 -0.374 1.00 0.00 N ATOM 997 CA TYR A 58 -10.450 -1.330 -0.256 1.00 0.00 C ATOM 998 C TYR A 58 -10.296 -0.317 -1.368 1.00 0.00 C ATOM 999 O TYR A 58 -11.209 0.008 -2.103 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.234 -0.669 1.119 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.777 0.752 1.168 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -11.993 1.061 0.547 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.063 1.756 1.841 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.496 2.367 0.597 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.568 3.060 1.891 1.00 0.00 C ATOM 1006 CZ TYR A 58 -11.784 3.365 1.269 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.280 4.653 1.319 1.00 0.00 O ATOM 0 H TYR A 58 -8.699 -2.323 0.438 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.440 -1.780 -0.333 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.721 -1.268 1.888 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.169 -0.657 1.351 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.544 0.291 0.028 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.124 1.522 2.320 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.434 2.603 0.116 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.019 3.832 2.410 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.594 5.280 1.009 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.115 0.177 -1.461 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.798 1.186 -2.484 1.00 0.00 C ATOM 1019 C TRP A 59 -8.979 0.588 -3.860 1.00 0.00 C ATOM 1020 O TRP A 59 -9.751 1.071 -4.661 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.364 1.564 -2.173 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.446 2.345 -0.921 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.975 1.980 0.289 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.123 3.599 -0.739 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.301 2.969 1.205 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.012 3.995 0.607 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.805 4.427 -1.630 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.572 5.189 1.060 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.373 5.627 -1.187 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.256 6.010 0.156 1.00 0.00 C ATOM 0 H TRP A 59 -8.334 -0.080 -0.857 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.443 2.064 -2.473 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.739 0.680 -2.048 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.926 2.152 -2.979 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.435 1.071 0.508 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.049 2.944 2.193 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.895 4.141 -2.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.479 5.477 2.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.903 6.260 -1.883 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.693 6.938 0.493 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.323 -0.494 -4.127 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.519 -1.155 -5.442 1.00 0.00 C ATOM 1043 C LEU A 60 -10.021 -1.413 -5.638 1.00 0.00 C ATOM 1044 O LEU A 60 -10.499 -1.563 -6.745 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.744 -2.469 -5.352 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.280 -2.224 -5.721 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.409 -3.317 -5.102 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.127 -2.252 -7.243 1.00 0.00 C ATOM 0 H LEU A 60 -7.662 -0.951 -3.499 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.171 -0.555 -6.283 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.813 -2.876 -4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.181 -3.208 -6.024 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.967 -1.251 -5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.366 -3.143 -5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.518 -3.299 -4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.721 -4.290 -5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.084 -2.077 -7.507 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.439 -3.225 -7.622 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.748 -1.474 -7.686 1.00 0.00 H new ATOM 1060 N SER A 61 -10.770 -1.454 -4.556 1.00 0.00 N ATOM 1061 CA SER A 61 -12.236 -1.685 -4.668 1.00 0.00 C ATOM 1062 C SER A 61 -12.960 -0.385 -5.039 1.00 0.00 C ATOM 1063 O SER A 61 -14.068 -0.409 -5.536 1.00 0.00 O ATOM 1064 CB SER A 61 -12.675 -2.164 -3.285 1.00 0.00 C ATOM 1065 OG SER A 61 -12.980 -3.551 -3.344 1.00 0.00 O ATOM 0 H SER A 61 -10.422 -1.337 -3.604 1.00 0.00 H new ATOM 0 HA SER A 61 -12.474 -2.411 -5.446 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.884 -1.984 -2.557 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.548 -1.602 -2.953 1.00 0.00 H new ATOM 0 HG SER A 61 -13.260 -3.862 -2.458 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.351 0.752 -4.809 1.00 0.00 N ATOM 1072 CA VAL A 62 -13.021 2.028 -5.160 1.00 0.00 C ATOM 1073 C VAL A 62 -12.491 2.530 -6.502 1.00 0.00 C ATOM 1074 O VAL A 62 -12.384 3.716 -6.745 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.689 3.017 -4.025 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -12.950 2.374 -2.659 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.218 3.455 -4.097 1.00 0.00 C ATOM 0 H VAL A 62 -11.423 0.845 -4.395 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.100 1.911 -5.260 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.331 3.889 -4.147 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.710 3.086 -1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.000 2.090 -2.585 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.326 1.487 -2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.006 4.153 -3.287 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.573 2.581 -4.002 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.030 3.942 -5.054 1.00 0.00 H new ATOM 1087 N GLY A 63 -12.155 1.622 -7.369 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.625 2.015 -8.704 1.00 0.00 C ATOM 1089 C GLY A 63 -10.228 2.617 -8.542 1.00 0.00 C ATOM 1090 O GLY A 63 -9.790 3.415 -9.345 1.00 0.00 O ATOM 0 H GLY A 63 -12.224 0.617 -7.211 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.584 1.146 -9.361 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.292 2.738 -9.173 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.522 2.243 -7.507 1.00 0.00 N ATOM 1095 CA ALA A 64 -8.158 2.799 -7.303 1.00 0.00 C ATOM 1096 C ALA A 64 -7.165 2.104 -8.233 1.00 0.00 C ATOM 1097 O ALA A 64 -7.238 0.912 -8.455 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.814 2.507 -5.844 1.00 0.00 C ATOM 0 H ALA A 64 -9.832 1.579 -6.798 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.114 3.866 -7.522 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.818 2.890 -5.621 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.543 2.991 -5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.835 1.431 -5.674 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.236 2.837 -8.777 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.243 2.210 -9.691 1.00 0.00 C ATOM 1106 C GLN A 65 -3.825 2.360 -9.118 1.00 0.00 C ATOM 1107 O GLN A 65 -3.386 3.461 -8.845 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.379 2.976 -11.008 1.00 0.00 C ATOM 1109 CG GLN A 65 -6.125 2.108 -12.023 1.00 0.00 C ATOM 1110 CD GLN A 65 -7.327 2.877 -12.576 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -7.230 4.052 -12.868 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -8.467 2.259 -12.732 1.00 0.00 N ATOM 0 H GLN A 65 -6.121 3.840 -8.629 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.417 1.142 -9.823 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.918 3.909 -10.845 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.394 3.239 -11.392 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.456 1.826 -12.836 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.458 1.184 -11.550 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.550 1.272 -12.487 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.274 2.763 -13.099 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.148 1.248 -8.947 1.00 0.00 N ATOM 1122 CA PRO A 66 -1.776 1.279 -8.404 1.00 0.00 C ATOM 1123 C PRO A 66 -0.770 1.527 -9.537 1.00 0.00 C ATOM 1124 O PRO A 66 -0.959 1.079 -10.651 1.00 0.00 O ATOM 1125 CB PRO A 66 -1.599 -0.116 -7.818 1.00 0.00 C ATOM 1126 CG PRO A 66 -2.544 -1.001 -8.579 1.00 0.00 C ATOM 1127 CD PRO A 66 -3.588 -0.124 -9.230 1.00 0.00 C ATOM 0 HA PRO A 66 -1.615 2.068 -7.670 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.570 -0.458 -7.926 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.827 -0.125 -6.752 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.005 -1.574 -9.333 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.015 -1.720 -7.909 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.647 -0.308 -10.303 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.579 -0.315 -8.819 1.00 0.00 H new ATOM 1135 N THR A 67 0.293 2.237 -9.267 1.00 0.00 N ATOM 1136 CA THR A 67 1.299 2.511 -10.337 1.00 0.00 C ATOM 1137 C THR A 67 1.963 1.208 -10.799 1.00 0.00 C ATOM 1138 O THR A 67 1.643 0.135 -10.323 1.00 0.00 O ATOM 1139 CB THR A 67 2.327 3.437 -9.683 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.288 3.833 -10.652 1.00 0.00 O ATOM 1141 CG2 THR A 67 3.026 2.704 -8.536 1.00 0.00 C ATOM 0 H THR A 67 0.509 2.639 -8.355 1.00 0.00 H new ATOM 0 HA THR A 67 0.846 2.960 -11.221 1.00 0.00 H new ATOM 0 HB THR A 67 1.822 4.319 -9.289 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.946 4.428 -10.236 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.757 3.367 -8.073 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.287 2.403 -7.793 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.532 1.820 -8.924 1.00 0.00 H new ATOM 1149 N ASP A 68 2.890 1.290 -11.722 1.00 0.00 N ATOM 1150 CA ASP A 68 3.576 0.055 -12.211 1.00 0.00 C ATOM 1151 C ASP A 68 4.687 -0.361 -11.241 1.00 0.00 C ATOM 1152 O ASP A 68 5.820 -0.570 -11.626 1.00 0.00 O ATOM 1153 CB ASP A 68 4.168 0.434 -13.569 1.00 0.00 C ATOM 1154 CG ASP A 68 3.434 -0.325 -14.677 1.00 0.00 C ATOM 1155 OD1 ASP A 68 2.975 -1.425 -14.412 1.00 0.00 O ATOM 1156 OD2 ASP A 68 3.344 0.206 -15.771 1.00 0.00 O ATOM 0 H ASP A 68 3.201 2.159 -12.157 1.00 0.00 H new ATOM 0 HA ASP A 68 2.890 -0.788 -12.287 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.079 1.508 -13.729 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.231 0.195 -13.593 1.00 0.00 H new ATOM 1161 N THR A 69 4.357 -0.487 -9.989 1.00 0.00 N ATOM 1162 CA THR A 69 5.357 -0.889 -8.962 1.00 0.00 C ATOM 1163 C THR A 69 4.603 -1.282 -7.700 1.00 0.00 C ATOM 1164 O THR A 69 4.633 -2.415 -7.261 1.00 0.00 O ATOM 1165 CB THR A 69 6.187 0.357 -8.703 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.842 0.758 -9.898 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.228 0.077 -7.614 1.00 0.00 C ATOM 0 H THR A 69 3.418 -0.325 -9.626 1.00 0.00 H new ATOM 0 HA THR A 69 5.982 -1.726 -9.274 1.00 0.00 H new ATOM 0 HB THR A 69 5.527 1.157 -8.369 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.851 0.011 -10.533 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.818 0.976 -7.435 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.722 -0.214 -6.693 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.885 -0.730 -7.938 1.00 0.00 H new ATOM 1175 N ALA A 70 3.881 -0.349 -7.145 1.00 0.00 N ATOM 1176 CA ALA A 70 3.077 -0.653 -5.943 1.00 0.00 C ATOM 1177 C ALA A 70 2.016 -1.662 -6.343 1.00 0.00 C ATOM 1178 O ALA A 70 1.561 -2.457 -5.546 1.00 0.00 O ATOM 1179 CB ALA A 70 2.442 0.677 -5.534 1.00 0.00 C ATOM 0 H ALA A 70 3.817 0.613 -7.478 1.00 0.00 H new ATOM 0 HA ALA A 70 3.657 -1.070 -5.120 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.828 0.529 -4.645 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.226 1.403 -5.317 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.819 1.048 -6.348 1.00 0.00 H new ATOM 1185 N ARG A 71 1.645 -1.661 -7.596 1.00 0.00 N ATOM 1186 CA ARG A 71 0.653 -2.637 -8.059 1.00 0.00 C ATOM 1187 C ARG A 71 1.293 -4.007 -7.953 1.00 0.00 C ATOM 1188 O ARG A 71 0.706 -4.953 -7.465 1.00 0.00 O ATOM 1189 CB ARG A 71 0.380 -2.281 -9.522 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.549 -3.327 -10.140 1.00 0.00 C ATOM 1191 CD ARG A 71 -1.071 -2.816 -11.486 1.00 0.00 C ATOM 1192 NE ARG A 71 -2.557 -2.921 -11.390 1.00 0.00 N ATOM 1193 CZ ARG A 71 -3.316 -2.701 -12.437 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -2.792 -2.391 -13.597 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -4.613 -2.793 -12.322 1.00 0.00 N ATOM 0 H ARG A 71 1.994 -1.021 -8.309 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.273 -2.631 -7.485 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.074 -1.292 -9.587 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.317 -2.239 -10.077 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.015 -4.267 -10.278 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.383 -3.530 -9.468 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.759 -1.787 -11.665 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.686 -3.414 -12.312 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.988 -3.167 -10.499 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.779 -2.318 -13.696 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.397 -2.223 -14.401 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.029 -3.034 -11.423 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.210 -2.623 -13.131 1.00 0.00 H new ATOM 1209 N ARG A 72 2.519 -4.105 -8.390 1.00 0.00 N ATOM 1210 CA ARG A 72 3.223 -5.401 -8.308 1.00 0.00 C ATOM 1211 C ARG A 72 3.480 -5.768 -6.846 1.00 0.00 C ATOM 1212 O ARG A 72 3.828 -6.887 -6.528 1.00 0.00 O ATOM 1213 CB ARG A 72 4.533 -5.203 -9.065 1.00 0.00 C ATOM 1214 CG ARG A 72 4.529 -6.097 -10.302 1.00 0.00 C ATOM 1215 CD ARG A 72 5.561 -5.585 -11.310 1.00 0.00 C ATOM 1216 NE ARG A 72 4.850 -5.592 -12.621 1.00 0.00 N ATOM 1217 CZ ARG A 72 3.970 -4.663 -12.915 1.00 0.00 C ATOM 1218 NH1 ARG A 72 3.696 -3.703 -12.067 1.00 0.00 N ATOM 1219 NH2 ARG A 72 3.359 -4.696 -14.067 1.00 0.00 N ATOM 0 H ARG A 72 3.057 -3.341 -8.799 1.00 0.00 H new ATOM 0 HA ARG A 72 2.639 -6.215 -8.737 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.647 -4.158 -9.355 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.380 -5.450 -8.424 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.759 -7.125 -10.021 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.537 -6.105 -10.754 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.903 -4.583 -11.051 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.442 -6.226 -11.334 1.00 0.00 H new ATOM 0 HE ARG A 72 5.050 -6.328 -13.298 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.169 -3.670 -11.164 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.010 -2.988 -12.310 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.566 -5.440 -14.733 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.674 -3.977 -14.302 1.00 0.00 H new ATOM 1233 N LEU A 73 3.299 -4.837 -5.951 1.00 0.00 N ATOM 1234 CA LEU A 73 3.503 -5.140 -4.523 1.00 0.00 C ATOM 1235 C LEU A 73 2.143 -5.381 -3.887 1.00 0.00 C ATOM 1236 O LEU A 73 2.003 -6.168 -2.973 1.00 0.00 O ATOM 1237 CB LEU A 73 4.187 -3.909 -3.924 1.00 0.00 C ATOM 1238 CG LEU A 73 5.463 -3.593 -4.709 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.798 -2.108 -4.558 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.620 -4.427 -4.160 1.00 0.00 C ATOM 0 H LEU A 73 3.018 -3.878 -6.156 1.00 0.00 H new ATOM 0 HA LEU A 73 4.114 -6.028 -4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.510 -3.055 -3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.428 -4.089 -2.876 1.00 0.00 H new ATOM 0 HG LEU A 73 5.308 -3.830 -5.762 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.706 -1.881 -5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.975 -1.508 -4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.952 -1.875 -3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.528 -4.202 -4.719 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.773 -4.188 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.385 -5.487 -4.261 1.00 0.00 H new ATOM 1252 N LEU A 74 1.127 -4.746 -4.403 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.225 -4.989 -3.862 1.00 0.00 C ATOM 1254 C LEU A 74 -0.639 -6.387 -4.305 1.00 0.00 C ATOM 1255 O LEU A 74 -1.372 -7.078 -3.632 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.125 -3.920 -4.484 1.00 0.00 C ATOM 1257 CG LEU A 74 -0.762 -2.554 -3.904 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -1.228 -1.453 -4.856 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -1.449 -2.378 -2.548 1.00 0.00 C ATOM 0 H LEU A 74 1.180 -4.076 -5.170 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.282 -4.934 -2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.004 -3.912 -5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.172 -4.147 -4.282 1.00 0.00 H new ATOM 0 HG LEU A 74 0.319 -2.490 -3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.968 -0.479 -4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.740 -1.577 -5.823 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.309 -1.516 -4.984 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.191 -1.404 -2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.529 -2.443 -2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.117 -3.162 -1.867 1.00 0.00 H new ATOM 1271 N ARG A 75 -0.124 -6.826 -5.425 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.443 -8.191 -5.897 1.00 0.00 C ATOM 1273 C ARG A 75 0.425 -9.170 -5.111 1.00 0.00 C ATOM 1274 O ARG A 75 0.050 -10.296 -4.855 1.00 0.00 O ATOM 1275 CB ARG A 75 -0.112 -8.197 -7.400 1.00 0.00 C ATOM 1276 CG ARG A 75 1.400 -8.212 -7.618 1.00 0.00 C ATOM 1277 CD ARG A 75 1.910 -9.655 -7.595 1.00 0.00 C ATOM 1278 NE ARG A 75 2.396 -9.912 -8.983 1.00 0.00 N ATOM 1279 CZ ARG A 75 3.106 -10.981 -9.259 1.00 0.00 C ATOM 1280 NH1 ARG A 75 3.414 -11.846 -8.324 1.00 0.00 N ATOM 1281 NH2 ARG A 75 3.513 -11.186 -10.481 1.00 0.00 N ATOM 0 H ARG A 75 0.503 -6.292 -6.027 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.483 -8.480 -5.749 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.562 -9.070 -7.873 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.545 -7.317 -7.877 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.644 -7.745 -8.572 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.895 -7.629 -6.842 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.711 -9.779 -6.866 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.117 -10.350 -7.319 1.00 0.00 H new ATOM 0 HE ARG A 75 2.174 -9.249 -9.726 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.101 -11.694 -7.365 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.966 -12.672 -8.555 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.279 -10.518 -11.215 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.065 -12.015 -10.702 1.00 0.00 H new ATOM 1295 N GLN A 76 1.588 -8.723 -4.710 1.00 0.00 N ATOM 1296 CA GLN A 76 2.488 -9.584 -3.923 1.00 0.00 C ATOM 1297 C GLN A 76 2.014 -9.624 -2.484 1.00 0.00 C ATOM 1298 O GLN A 76 2.153 -10.611 -1.788 1.00 0.00 O ATOM 1299 CB GLN A 76 3.841 -8.904 -4.044 1.00 0.00 C ATOM 1300 CG GLN A 76 4.953 -9.925 -3.827 1.00 0.00 C ATOM 1301 CD GLN A 76 5.277 -10.603 -5.158 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.331 -11.814 -5.241 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.498 -9.865 -6.211 1.00 0.00 N ATOM 0 H GLN A 76 1.946 -7.787 -4.902 1.00 0.00 H new ATOM 0 HA GLN A 76 2.522 -10.617 -4.268 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.942 -8.447 -5.028 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.922 -8.102 -3.310 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.841 -9.434 -3.429 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.643 -10.668 -3.092 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.452 -8.848 -6.140 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.716 -10.305 -7.105 1.00 0.00 H new ATOM 1312 N ALA A 77 1.432 -8.556 -2.049 1.00 0.00 N ATOM 1313 CA ALA A 77 0.907 -8.505 -0.664 1.00 0.00 C ATOM 1314 C ALA A 77 -0.232 -9.521 -0.497 1.00 0.00 C ATOM 1315 O ALA A 77 -0.655 -9.814 0.603 1.00 0.00 O ATOM 1316 CB ALA A 77 0.382 -7.082 -0.491 1.00 0.00 C ATOM 0 H ALA A 77 1.294 -7.706 -2.596 1.00 0.00 H new ATOM 0 HA ALA A 77 1.668 -8.750 0.077 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.025 -6.964 0.513 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.197 -6.373 -0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.401 -6.891 -1.225 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.729 -10.065 -1.581 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.833 -11.060 -1.475 1.00 0.00 C ATOM 1324 C GLY A 78 -3.170 -10.410 -1.847 1.00 0.00 C ATOM 1325 O GLY A 78 -4.225 -10.937 -1.552 1.00 0.00 O ATOM 0 H GLY A 78 -0.417 -9.862 -2.531 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.635 -11.905 -2.135 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.882 -11.453 -0.459 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.145 -9.274 -2.494 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.426 -8.614 -2.877 1.00 0.00 C ATOM 1331 C VAL A 79 -4.985 -9.248 -4.156 1.00 0.00 C ATOM 1332 O VAL A 79 -6.081 -9.773 -4.169 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.092 -7.142 -3.103 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.387 -6.344 -3.263 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.314 -6.591 -1.903 1.00 0.00 C ATOM 0 H VAL A 79 -2.298 -8.778 -2.772 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.186 -8.729 -2.104 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.484 -7.051 -4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.149 -5.293 -3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.946 -6.725 -4.118 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.990 -6.445 -2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.080 -5.540 -2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.919 -6.687 -1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.389 -7.154 -1.780 1.00 0.00 H new