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 165:sc= -0.804 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 -151:sc= 0.529 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 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= -4.26! USER MOD Single : A 69 THR OG1 : rot 51:sc= 0.0824 USER MOD Single : A 76 GLN : amide:sc= -0.593 X(o=-0.59,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.888 8.232 -7.356 1.00 0.00 N ATOM 21 CA VAL A 2 -8.131 7.555 -6.265 1.00 0.00 C ATOM 22 C VAL A 2 -7.096 6.596 -6.856 1.00 0.00 C ATOM 23 O VAL A 2 -7.418 5.738 -7.652 1.00 0.00 O ATOM 24 CB VAL A 2 -9.185 6.780 -5.473 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.515 6.052 -4.307 1.00 0.00 C ATOM 26 CG2 VAL A 2 -10.234 7.754 -4.930 1.00 0.00 C ATOM 0 HA VAL A 2 -7.588 8.263 -5.639 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.667 6.053 -6.126 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.267 5.500 -3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.768 5.358 -4.692 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.032 6.779 -3.654 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.985 7.202 -4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.752 8.481 -4.277 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.713 8.273 -5.760 1.00 0.00 H new ATOM 36 N LYS A 3 -5.856 6.733 -6.478 1.00 0.00 N ATOM 37 CA LYS A 3 -4.811 5.820 -7.023 1.00 0.00 C ATOM 38 C LYS A 3 -3.807 5.439 -5.927 1.00 0.00 C ATOM 39 O LYS A 3 -3.370 6.273 -5.159 1.00 0.00 O ATOM 40 CB LYS A 3 -4.125 6.619 -8.133 1.00 0.00 C ATOM 41 CG LYS A 3 -3.404 7.831 -7.535 1.00 0.00 C ATOM 42 CD LYS A 3 -1.899 7.559 -7.482 1.00 0.00 C ATOM 43 CE LYS A 3 -1.381 7.268 -8.892 1.00 0.00 C ATOM 44 NZ LYS A 3 -0.282 8.250 -9.109 1.00 0.00 N ATOM 0 H LYS A 3 -5.521 7.435 -5.818 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.234 4.887 -7.396 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.413 5.986 -8.662 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.863 6.948 -8.865 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.602 8.718 -8.137 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.782 8.034 -6.533 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -1.378 8.420 -7.063 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.695 6.712 -6.827 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.017 6.244 -8.975 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.170 7.388 -9.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.124 8.113 -10.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.659 9.216 -9.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.457 8.108 -8.392 1.00 0.00 H new ATOM 58 N ILE A 4 -3.423 4.192 -5.859 1.00 0.00 N ATOM 59 CA ILE A 4 -2.436 3.777 -4.828 1.00 0.00 C ATOM 60 C ILE A 4 -1.050 3.690 -5.469 1.00 0.00 C ATOM 61 O ILE A 4 -0.901 3.245 -6.587 1.00 0.00 O ATOM 62 CB ILE A 4 -2.910 2.409 -4.326 1.00 0.00 C ATOM 63 CG1 ILE A 4 -4.148 2.591 -3.446 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.806 1.735 -3.502 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.704 1.219 -3.065 1.00 0.00 C ATOM 0 H ILE A 4 -3.751 3.446 -6.473 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.365 4.483 -4.001 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.151 1.783 -5.185 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.891 3.154 -2.549 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.905 3.168 -3.978 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.155 0.764 -3.151 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.920 1.600 -4.122 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.557 2.362 -2.646 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.586 1.345 -2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.976 0.673 -3.968 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.946 0.659 -2.517 1.00 0.00 H new ATOM 77 N ARG A 5 -0.035 4.119 -4.779 1.00 0.00 N ATOM 78 CA ARG A 5 1.326 4.061 -5.366 1.00 0.00 C ATOM 79 C ARG A 5 2.370 3.899 -4.265 1.00 0.00 C ATOM 80 O ARG A 5 2.070 4.002 -3.092 1.00 0.00 O ATOM 81 CB ARG A 5 1.508 5.394 -6.093 1.00 0.00 C ATOM 82 CG ARG A 5 1.338 6.547 -5.102 1.00 0.00 C ATOM 83 CD ARG A 5 2.358 7.644 -5.417 1.00 0.00 C ATOM 84 NE ARG A 5 1.610 8.925 -5.257 1.00 0.00 N ATOM 85 CZ ARG A 5 2.227 10.079 -5.342 1.00 0.00 C ATOM 86 NH1 ARG A 5 3.516 10.140 -5.567 1.00 0.00 N ATOM 87 NH2 ARG A 5 1.547 11.184 -5.200 1.00 0.00 N ATOM 0 H ARG A 5 -0.089 4.506 -3.837 1.00 0.00 H new ATOM 0 HA ARG A 5 1.446 3.214 -6.042 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.496 5.438 -6.551 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.779 5.483 -6.898 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.326 6.948 -5.164 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.477 6.188 -4.082 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.210 7.597 -4.739 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.750 7.540 -6.429 1.00 0.00 H new ATOM 0 HE ARG A 5 0.606 8.903 -5.079 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.055 9.282 -5.679 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.980 11.046 -5.630 1.00 0.00 H new ATOM 0 HH21 ARG A 5 0.543 11.146 -5.024 1.00 0.00 H new ATOM 0 HH22 ARG A 5 2.020 12.086 -5.265 1.00 0.00 H new ATOM 101 N LEU A 6 3.596 3.657 -4.631 1.00 0.00 N ATOM 102 CA LEU A 6 4.650 3.503 -3.594 1.00 0.00 C ATOM 103 C LEU A 6 5.270 4.869 -3.286 1.00 0.00 C ATOM 104 O LEU A 6 5.683 5.594 -4.168 1.00 0.00 O ATOM 105 CB LEU A 6 5.686 2.542 -4.183 1.00 0.00 C ATOM 106 CG LEU A 6 6.280 3.124 -5.463 1.00 0.00 C ATOM 107 CD1 LEU A 6 7.685 3.659 -5.178 1.00 0.00 C ATOM 108 CD2 LEU A 6 6.358 2.026 -6.524 1.00 0.00 C ATOM 0 H LEU A 6 3.912 3.560 -5.596 1.00 0.00 H new ATOM 0 HA LEU A 6 4.254 3.112 -2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.478 2.360 -3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.220 1.579 -4.395 1.00 0.00 H new ATOM 0 HG LEU A 6 5.650 3.938 -5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.109 4.074 -6.092 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.630 4.437 -4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.318 2.847 -4.821 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.782 2.436 -7.441 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.991 1.215 -6.163 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.358 1.643 -6.726 1.00 0.00 H new ATOM 120 N ALA A 7 5.325 5.221 -2.033 1.00 0.00 N ATOM 121 CA ALA A 7 5.900 6.534 -1.633 1.00 0.00 C ATOM 122 C ALA A 7 7.338 6.328 -1.171 1.00 0.00 C ATOM 123 O ALA A 7 7.804 5.219 -1.113 1.00 0.00 O ATOM 124 CB ALA A 7 5.024 6.979 -0.468 1.00 0.00 C ATOM 0 H ALA A 7 4.991 4.647 -1.259 1.00 0.00 H new ATOM 0 HA ALA A 7 5.918 7.267 -2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.371 7.945 -0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.991 7.068 -0.803 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.083 6.243 0.334 1.00 0.00 H new ATOM 130 N ARG A 8 8.052 7.374 -0.850 1.00 0.00 N ATOM 131 CA ARG A 8 9.463 7.194 -0.410 1.00 0.00 C ATOM 132 C ARG A 8 9.815 8.145 0.737 1.00 0.00 C ATOM 133 O ARG A 8 9.818 9.350 0.580 1.00 0.00 O ATOM 134 CB ARG A 8 10.300 7.514 -1.651 1.00 0.00 C ATOM 135 CG ARG A 8 11.791 7.420 -1.313 1.00 0.00 C ATOM 136 CD ARG A 8 12.596 8.206 -2.353 1.00 0.00 C ATOM 137 NE ARG A 8 13.722 7.304 -2.737 1.00 0.00 N ATOM 138 CZ ARG A 8 14.760 7.147 -1.946 1.00 0.00 C ATOM 139 NH1 ARG A 8 14.834 7.774 -0.799 1.00 0.00 N ATOM 140 NH2 ARG A 8 15.733 6.357 -2.312 1.00 0.00 N ATOM 0 H ARG A 8 7.721 8.338 -0.874 1.00 0.00 H new ATOM 0 HA ARG A 8 9.644 6.188 -0.032 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.056 6.819 -2.454 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.063 8.515 -2.012 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.976 7.819 -0.316 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.108 6.377 -1.303 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.982 8.460 -3.217 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.966 9.144 -1.939 1.00 0.00 H new ATOM 0 HE ARG A 8 13.685 6.803 -3.625 1.00 0.00 H new ATOM 0 HH11 ARG A 8 14.079 8.395 -0.508 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.646 7.641 -0.197 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.684 5.868 -3.206 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.542 6.229 -1.704 1.00 0.00 H new ATOM 276 N TYR A 17 9.501 2.873 1.673 1.00 0.00 N ATOM 277 CA TYR A 17 8.423 3.439 0.829 1.00 0.00 C ATOM 278 C TYR A 17 7.080 2.952 1.366 1.00 0.00 C ATOM 279 O TYR A 17 7.036 2.051 2.178 1.00 0.00 O ATOM 280 CB TYR A 17 8.639 2.795 -0.535 1.00 0.00 C ATOM 281 CG TYR A 17 9.827 3.370 -1.270 1.00 0.00 C ATOM 282 CD1 TYR A 17 11.111 3.277 -0.725 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.640 3.965 -2.524 1.00 0.00 C ATOM 284 CE1 TYR A 17 12.207 3.785 -1.430 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.734 4.470 -3.230 1.00 0.00 C ATOM 286 CZ TYR A 17 12.020 4.382 -2.683 1.00 0.00 C ATOM 287 OH TYR A 17 13.102 4.883 -3.377 1.00 0.00 O ATOM 0 HA TYR A 17 8.433 4.529 0.803 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.781 1.722 -0.407 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.743 2.928 -1.141 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.257 2.813 0.239 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.648 4.033 -2.946 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.199 3.717 -1.008 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.588 4.928 -4.197 1.00 0.00 H new ATOM 0 HH TYR A 17 12.847 5.041 -4.310 1.00 0.00 H new ATOM 297 N ARG A 18 5.984 3.494 0.908 1.00 0.00 N ATOM 298 CA ARG A 18 4.675 2.988 1.386 1.00 0.00 C ATOM 299 C ARG A 18 3.726 2.858 0.205 1.00 0.00 C ATOM 300 O ARG A 18 3.746 3.656 -0.704 1.00 0.00 O ATOM 301 CB ARG A 18 4.161 4.028 2.375 1.00 0.00 C ATOM 302 CG ARG A 18 4.596 3.653 3.792 1.00 0.00 C ATOM 303 CD ARG A 18 3.407 3.796 4.747 1.00 0.00 C ATOM 304 NE ARG A 18 4.018 4.089 6.076 1.00 0.00 N ATOM 305 CZ ARG A 18 4.568 5.254 6.320 1.00 0.00 C ATOM 306 NH1 ARG A 18 4.587 6.195 5.409 1.00 0.00 N ATOM 307 NH2 ARG A 18 5.103 5.479 7.489 1.00 0.00 N ATOM 0 H ARG A 18 5.942 4.256 0.231 1.00 0.00 H new ATOM 0 HA ARG A 18 4.757 2.008 1.856 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.548 5.013 2.115 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.074 4.088 2.322 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.969 2.629 3.810 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.415 4.296 4.115 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.741 4.600 4.432 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.812 2.883 4.778 1.00 0.00 H new ATOM 0 HE ARG A 18 4.008 3.374 6.804 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.170 6.027 4.493 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.019 7.096 5.615 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.091 4.752 8.204 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.533 6.382 7.688 1.00 0.00 H new ATOM 321 N ILE A 19 2.852 1.901 0.236 1.00 0.00 N ATOM 322 CA ILE A 19 1.874 1.779 -0.862 1.00 0.00 C ATOM 323 C ILE A 19 0.671 2.494 -0.303 1.00 0.00 C ATOM 324 O ILE A 19 -0.199 1.932 0.331 1.00 0.00 O ATOM 325 CB ILE A 19 1.601 0.283 -1.101 1.00 0.00 C ATOM 326 CG1 ILE A 19 2.711 -0.616 -0.539 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.534 0.024 -2.600 1.00 0.00 C ATOM 328 CD1 ILE A 19 4.043 -0.203 -1.157 1.00 0.00 C ATOM 0 H ILE A 19 2.774 1.201 0.973 1.00 0.00 H new ATOM 0 HA ILE A 19 2.186 2.193 -1.821 1.00 0.00 H new ATOM 0 HB ILE A 19 0.665 0.047 -0.595 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.755 -0.526 0.546 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.499 -1.661 -0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.341 -1.034 -2.778 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.731 0.618 -3.036 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.482 0.302 -3.060 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.838 -0.836 -0.764 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.992 -0.315 -2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.252 0.838 -0.909 1.00 0.00 H new ATOM 340 N VAL A 20 0.724 3.781 -0.440 1.00 0.00 N ATOM 341 CA VAL A 20 -0.280 4.666 0.164 1.00 0.00 C ATOM 342 C VAL A 20 -1.355 5.062 -0.855 1.00 0.00 C ATOM 343 O VAL A 20 -1.189 4.908 -2.048 1.00 0.00 O ATOM 344 CB VAL A 20 0.613 5.839 0.646 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.489 7.075 -0.247 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.268 6.201 2.084 1.00 0.00 C ATOM 0 H VAL A 20 1.450 4.267 -0.966 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.869 4.231 0.971 1.00 0.00 H new ATOM 0 HB VAL A 20 1.647 5.500 0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.134 7.866 0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.789 6.821 -1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.545 7.420 -0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.900 7.026 2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.778 6.500 2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.435 5.337 2.727 1.00 0.00 H new ATOM 356 N VAL A 21 -2.476 5.523 -0.375 1.00 0.00 N ATOM 357 CA VAL A 21 -3.595 5.878 -1.286 1.00 0.00 C ATOM 358 C VAL A 21 -3.772 7.396 -1.355 1.00 0.00 C ATOM 359 O VAL A 21 -4.173 8.029 -0.399 1.00 0.00 O ATOM 360 CB VAL A 21 -4.857 5.216 -0.685 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.670 4.586 -1.811 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.501 4.115 0.324 1.00 0.00 C ATOM 0 H VAL A 21 -2.664 5.669 0.617 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.405 5.532 -2.302 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.424 5.990 -0.167 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.562 4.116 -1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.963 5.357 -2.524 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.066 3.834 -2.319 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.416 3.676 0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.914 3.342 -0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.919 4.544 1.140 1.00 0.00 H new ATOM 372 N THR A 22 -3.484 7.982 -2.484 1.00 0.00 N ATOM 373 CA THR A 22 -3.641 9.457 -2.624 1.00 0.00 C ATOM 374 C THR A 22 -4.218 9.792 -4.001 1.00 0.00 C ATOM 375 O THR A 22 -4.737 8.939 -4.692 1.00 0.00 O ATOM 376 CB THR A 22 -2.227 10.030 -2.479 1.00 0.00 C ATOM 377 OG1 THR A 22 -2.253 11.423 -2.757 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.282 9.332 -3.460 1.00 0.00 C ATOM 0 H THR A 22 -3.146 7.502 -3.318 1.00 0.00 H new ATOM 0 HA THR A 22 -4.321 9.872 -1.880 1.00 0.00 H new ATOM 0 HB THR A 22 -1.873 9.865 -1.461 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.350 11.792 -2.663 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.278 9.743 -3.353 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.261 8.263 -3.247 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.633 9.492 -4.480 1.00 0.00 H new ATOM 543 N TYR A 32 -1.948 11.436 1.343 1.00 0.00 N ATOM 544 CA TYR A 32 -2.770 10.257 0.924 1.00 0.00 C ATOM 545 C TYR A 32 -3.951 10.069 1.875 1.00 0.00 C ATOM 546 O TYR A 32 -3.839 10.257 3.070 1.00 0.00 O ATOM 547 CB TYR A 32 -1.839 9.035 0.980 1.00 0.00 C ATOM 548 CG TYR A 32 -1.052 9.027 2.272 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.661 8.610 3.461 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.285 9.441 2.278 1.00 0.00 C ATOM 551 CE1 TYR A 32 -0.932 8.607 4.656 1.00 0.00 C ATOM 552 CE2 TYR A 32 1.015 9.436 3.471 1.00 0.00 C ATOM 553 CZ TYR A 32 0.407 9.020 4.662 1.00 0.00 C ATOM 554 OH TYR A 32 1.127 9.018 5.840 1.00 0.00 O ATOM 0 HA TYR A 32 -3.177 10.396 -0.077 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.425 8.120 0.899 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.156 9.052 0.131 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.693 8.291 3.457 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.754 9.765 1.360 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.402 8.286 5.574 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.047 9.753 3.474 1.00 0.00 H new ATOM 0 HH TYR A 32 2.039 9.332 5.667 1.00 0.00 H new ATOM 564 N ILE A 33 -5.087 9.699 1.347 1.00 0.00 N ATOM 565 CA ILE A 33 -6.285 9.492 2.210 1.00 0.00 C ATOM 566 C ILE A 33 -5.937 8.586 3.395 1.00 0.00 C ATOM 567 O ILE A 33 -6.494 8.708 4.468 1.00 0.00 O ATOM 568 CB ILE A 33 -7.307 8.815 1.298 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.689 9.770 0.165 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.556 8.458 2.103 1.00 0.00 C ATOM 571 CD1 ILE A 33 -8.002 8.965 -1.098 1.00 0.00 C ATOM 0 H ILE A 33 -5.237 9.531 0.352 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.662 10.425 2.629 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.873 7.906 0.880 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.555 10.365 0.454 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.873 10.467 -0.028 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.284 7.975 1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.286 7.778 2.911 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.990 9.366 2.522 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -8.274 9.645 -1.905 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -7.124 8.389 -1.389 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.832 8.286 -0.901 1.00 0.00 H new ATOM 583 N GLU A 34 -5.017 7.680 3.208 1.00 0.00 N ATOM 584 CA GLU A 34 -4.630 6.766 4.321 1.00 0.00 C ATOM 585 C GLU A 34 -3.484 5.854 3.878 1.00 0.00 C ATOM 586 O GLU A 34 -3.121 5.816 2.720 1.00 0.00 O ATOM 587 CB GLU A 34 -5.883 5.943 4.617 1.00 0.00 C ATOM 588 CG GLU A 34 -6.127 5.910 6.127 1.00 0.00 C ATOM 589 CD GLU A 34 -7.091 4.772 6.463 1.00 0.00 C ATOM 590 OE1 GLU A 34 -6.651 3.634 6.482 1.00 0.00 O ATOM 591 OE2 GLU A 34 -8.254 5.057 6.696 1.00 0.00 O ATOM 0 H GLU A 34 -4.516 7.533 2.332 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.285 7.311 5.200 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.744 6.376 4.108 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.764 4.929 4.235 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.184 5.770 6.655 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.541 6.862 6.460 1.00 0.00 H new ATOM 598 N LYS A 35 -2.914 5.116 4.789 1.00 0.00 N ATOM 599 CA LYS A 35 -1.795 4.206 4.411 1.00 0.00 C ATOM 600 C LYS A 35 -2.258 2.745 4.478 1.00 0.00 C ATOM 601 O LYS A 35 -2.651 2.255 5.519 1.00 0.00 O ATOM 602 CB LYS A 35 -0.682 4.477 5.429 1.00 0.00 C ATOM 603 CG LYS A 35 -1.201 4.255 6.854 1.00 0.00 C ATOM 604 CD LYS A 35 -1.059 5.555 7.652 1.00 0.00 C ATOM 605 CE LYS A 35 -2.092 5.580 8.781 1.00 0.00 C ATOM 606 NZ LYS A 35 -1.591 6.606 9.739 1.00 0.00 N ATOM 0 H LYS A 35 -3.173 5.103 5.776 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.450 4.381 3.392 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.165 3.819 5.236 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.322 5.500 5.321 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.245 3.942 6.829 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.640 3.455 7.337 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.053 5.632 8.064 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.202 6.414 6.996 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.081 5.841 8.405 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.179 4.604 9.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.247 6.681 10.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.651 6.328 10.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.525 7.526 9.259 1.00 0.00 H new ATOM 620 N ILE A 36 -2.208 2.049 3.374 1.00 0.00 N ATOM 621 CA ILE A 36 -2.641 0.616 3.375 1.00 0.00 C ATOM 622 C ILE A 36 -1.454 -0.292 3.119 1.00 0.00 C ATOM 623 O ILE A 36 -1.410 -1.416 3.582 1.00 0.00 O ATOM 624 CB ILE A 36 -3.691 0.485 2.264 1.00 0.00 C ATOM 625 CG1 ILE A 36 -3.102 0.874 0.899 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.868 1.404 2.579 1.00 0.00 C ATOM 627 CD1 ILE A 36 -2.298 -0.292 0.325 1.00 0.00 C ATOM 0 H ILE A 36 -1.888 2.406 2.474 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.059 0.322 4.338 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.018 -0.554 2.217 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.903 1.147 0.212 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.462 1.750 1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.619 1.316 1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.308 1.118 3.534 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.520 2.435 2.634 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.884 -0.007 -0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.486 -0.545 1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.950 -1.157 0.201 1.00 0.00 H new ATOM 639 N GLY A 37 -0.495 0.174 2.387 1.00 0.00 N ATOM 640 CA GLY A 37 0.677 -0.678 2.107 1.00 0.00 C ATOM 641 C GLY A 37 1.947 -0.084 2.703 1.00 0.00 C ATOM 642 O GLY A 37 2.027 1.089 3.012 1.00 0.00 O ATOM 0 H GLY A 37 -0.472 1.105 1.971 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.512 -1.674 2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.797 -0.793 1.030 1.00 0.00 H new ATOM 646 N TYR A 38 2.957 -0.897 2.818 1.00 0.00 N ATOM 647 CA TYR A 38 4.268 -0.421 3.339 1.00 0.00 C ATOM 648 C TYR A 38 5.386 -1.092 2.537 1.00 0.00 C ATOM 649 O TYR A 38 5.527 -2.300 2.561 1.00 0.00 O ATOM 650 CB TYR A 38 4.315 -0.857 4.803 1.00 0.00 C ATOM 651 CG TYR A 38 5.588 -0.346 5.438 1.00 0.00 C ATOM 652 CD1 TYR A 38 5.689 0.997 5.823 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.665 -1.216 5.647 1.00 0.00 C ATOM 654 CE1 TYR A 38 6.866 1.469 6.416 1.00 0.00 C ATOM 655 CE2 TYR A 38 7.842 -0.743 6.239 1.00 0.00 C ATOM 656 CZ TYR A 38 7.943 0.599 6.625 1.00 0.00 C ATOM 657 OH TYR A 38 9.103 1.066 7.209 1.00 0.00 O ATOM 0 H TYR A 38 2.930 -1.886 2.570 1.00 0.00 H new ATOM 0 HA TYR A 38 4.392 0.658 3.252 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.448 -0.469 5.337 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.272 -1.944 4.872 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.859 1.669 5.662 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.588 -2.252 5.351 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.943 2.505 6.712 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.673 -1.414 6.398 1.00 0.00 H new ATOM 0 HH TYR A 38 9.866 0.544 6.884 1.00 0.00 H new ATOM 667 N TYR A 39 6.185 -0.339 1.828 1.00 0.00 N ATOM 668 CA TYR A 39 7.278 -0.978 1.044 1.00 0.00 C ATOM 669 C TYR A 39 8.627 -0.688 1.714 1.00 0.00 C ATOM 670 O TYR A 39 8.994 0.450 1.904 1.00 0.00 O ATOM 671 CB TYR A 39 7.227 -0.355 -0.360 1.00 0.00 C ATOM 672 CG TYR A 39 8.438 -0.786 -1.179 1.00 0.00 C ATOM 673 CD1 TYR A 39 9.139 -1.960 -0.854 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.853 -0.011 -2.269 1.00 0.00 C ATOM 675 CE1 TYR A 39 10.246 -2.354 -1.614 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.961 -0.407 -3.029 1.00 0.00 C ATOM 677 CZ TYR A 39 10.658 -1.577 -2.701 1.00 0.00 C ATOM 678 OH TYR A 39 11.750 -1.963 -3.450 1.00 0.00 O ATOM 0 H TYR A 39 6.129 0.677 1.759 1.00 0.00 H new ATOM 0 HA TYR A 39 7.159 -2.060 0.991 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.311 -0.659 -0.866 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.202 0.732 -0.281 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.822 -2.561 -0.014 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.319 0.892 -2.524 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.781 -3.257 -1.361 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.279 0.191 -3.870 1.00 0.00 H new ATOM 0 HH TYR A 39 11.900 -1.313 -4.168 1.00 0.00 H new ATOM 688 N ASP A 40 9.371 -1.697 2.074 1.00 0.00 N ATOM 689 CA ASP A 40 10.691 -1.444 2.727 1.00 0.00 C ATOM 690 C ASP A 40 11.736 -2.440 2.210 1.00 0.00 C ATOM 691 O ASP A 40 11.885 -3.514 2.758 1.00 0.00 O ATOM 692 CB ASP A 40 10.444 -1.649 4.222 1.00 0.00 C ATOM 693 CG ASP A 40 11.546 -0.953 5.023 1.00 0.00 C ATOM 694 OD1 ASP A 40 12.608 -0.732 4.464 1.00 0.00 O ATOM 695 OD2 ASP A 40 11.309 -0.652 6.182 1.00 0.00 O ATOM 0 H ASP A 40 9.127 -2.679 1.947 1.00 0.00 H new ATOM 0 HA ASP A 40 11.072 -0.445 2.514 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.470 -1.247 4.499 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.427 -2.714 4.456 1.00 0.00 H new ATOM 838 N LEU A 49 7.905 -6.434 1.232 1.00 0.00 N ATOM 839 CA LEU A 49 6.583 -5.789 0.998 1.00 0.00 C ATOM 840 C LEU A 49 5.576 -6.215 2.069 1.00 0.00 C ATOM 841 O LEU A 49 5.263 -7.379 2.222 1.00 0.00 O ATOM 842 CB LEU A 49 6.143 -6.267 -0.385 1.00 0.00 C ATOM 843 CG LEU A 49 5.084 -5.316 -0.954 1.00 0.00 C ATOM 844 CD1 LEU A 49 3.817 -5.397 -0.104 1.00 0.00 C ATOM 845 CD2 LEU A 49 5.610 -3.874 -0.952 1.00 0.00 C ATOM 0 HA LEU A 49 6.645 -4.702 1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.002 -6.311 -1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.739 -7.277 -0.319 1.00 0.00 H new ATOM 0 HG LEU A 49 4.859 -5.610 -1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.064 -4.721 -0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.434 -6.417 -0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.048 -5.111 0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.849 -3.208 -1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.846 -3.574 0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.509 -3.814 -1.565 1.00 0.00 H new ATOM 857 N LYS A 50 5.066 -5.266 2.803 1.00 0.00 N ATOM 858 CA LYS A 50 4.073 -5.581 3.866 1.00 0.00 C ATOM 859 C LYS A 50 2.818 -4.734 3.647 1.00 0.00 C ATOM 860 O LYS A 50 2.749 -3.598 4.071 1.00 0.00 O ATOM 861 CB LYS A 50 4.766 -5.187 5.172 1.00 0.00 C ATOM 862 CG LYS A 50 4.141 -5.949 6.341 1.00 0.00 C ATOM 863 CD LYS A 50 5.250 -6.490 7.247 1.00 0.00 C ATOM 864 CE LYS A 50 6.085 -5.326 7.790 1.00 0.00 C ATOM 865 NZ LYS A 50 7.422 -5.917 8.079 1.00 0.00 N ATOM 0 H LYS A 50 5.297 -4.277 2.711 1.00 0.00 H new ATOM 0 HA LYS A 50 3.766 -6.627 3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.831 -5.408 5.110 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.672 -4.113 5.334 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.482 -5.291 6.908 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.528 -6.770 5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.816 -7.055 8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.886 -7.178 6.689 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.159 -4.519 7.061 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.637 -4.904 8.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.053 -5.181 8.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.321 -6.678 8.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.827 -6.305 7.203 1.00 0.00 H new ATOM 879 N VAL A 51 1.832 -5.262 2.972 1.00 0.00 N ATOM 880 CA VAL A 51 0.605 -4.456 2.721 1.00 0.00 C ATOM 881 C VAL A 51 -0.614 -5.080 3.398 1.00 0.00 C ATOM 882 O VAL A 51 -0.898 -6.251 3.238 1.00 0.00 O ATOM 883 CB VAL A 51 0.438 -4.440 1.179 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.042 -4.531 0.763 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.988 -3.135 0.629 1.00 0.00 C ATOM 0 H VAL A 51 1.823 -6.207 2.588 1.00 0.00 H new ATOM 0 HA VAL A 51 0.693 -3.450 3.131 1.00 0.00 H new ATOM 0 HB VAL A 51 0.975 -5.302 0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.116 -4.517 -0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.471 -5.458 1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.589 -3.683 1.175 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.873 -3.120 -0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.442 -2.298 1.064 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.045 -3.050 0.883 1.00 0.00 H new ATOM 895 N ASP A 52 -1.376 -4.284 4.086 1.00 0.00 N ATOM 896 CA ASP A 52 -2.617 -4.810 4.689 1.00 0.00 C ATOM 897 C ASP A 52 -3.603 -4.989 3.541 1.00 0.00 C ATOM 898 O ASP A 52 -4.535 -4.224 3.395 1.00 0.00 O ATOM 899 CB ASP A 52 -3.091 -3.722 5.655 1.00 0.00 C ATOM 900 CG ASP A 52 -3.906 -4.355 6.783 1.00 0.00 C ATOM 901 OD1 ASP A 52 -4.665 -5.266 6.499 1.00 0.00 O ATOM 902 OD2 ASP A 52 -3.759 -3.916 7.912 1.00 0.00 O ATOM 0 H ASP A 52 -1.191 -3.295 4.255 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.501 -5.756 5.217 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.234 -3.189 6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.697 -2.988 5.123 1.00 0.00 H new ATOM 907 N VAL A 53 -3.355 -5.968 2.691 1.00 0.00 N ATOM 908 CA VAL A 53 -4.226 -6.203 1.487 1.00 0.00 C ATOM 909 C VAL A 53 -5.702 -5.903 1.788 1.00 0.00 C ATOM 910 O VAL A 53 -6.426 -5.463 0.923 1.00 0.00 O ATOM 911 CB VAL A 53 -3.989 -7.673 1.061 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.880 -8.590 2.279 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.133 -8.161 0.162 1.00 0.00 C ATOM 0 H VAL A 53 -2.577 -6.621 2.783 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.967 -5.527 0.672 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.050 -7.708 0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.714 -9.615 1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.045 -8.270 2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.803 -8.540 2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.951 -9.196 -0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.076 -8.097 0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.186 -7.537 -0.730 1.00 0.00 H new ATOM 923 N GLU A 54 -6.148 -6.092 3.000 1.00 0.00 N ATOM 924 CA GLU A 54 -7.565 -5.758 3.303 1.00 0.00 C ATOM 925 C GLU A 54 -7.778 -4.267 3.037 1.00 0.00 C ATOM 926 O GLU A 54 -8.639 -3.876 2.273 1.00 0.00 O ATOM 927 CB GLU A 54 -7.762 -6.087 4.785 1.00 0.00 C ATOM 928 CG GLU A 54 -8.489 -7.426 4.917 1.00 0.00 C ATOM 929 CD GLU A 54 -7.478 -8.525 5.251 1.00 0.00 C ATOM 930 OE1 GLU A 54 -6.735 -8.348 6.201 1.00 0.00 O ATOM 931 OE2 GLU A 54 -7.465 -9.523 4.549 1.00 0.00 O ATOM 0 H GLU A 54 -5.602 -6.457 3.780 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.275 -6.313 2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.797 -6.134 5.290 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.338 -5.299 5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.247 -7.365 5.698 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.007 -7.664 3.988 1.00 0.00 H new ATOM 938 N ARG A 55 -6.973 -3.437 3.639 1.00 0.00 N ATOM 939 CA ARG A 55 -7.092 -1.975 3.403 1.00 0.00 C ATOM 940 C ARG A 55 -6.643 -1.666 1.976 1.00 0.00 C ATOM 941 O ARG A 55 -7.262 -0.903 1.267 1.00 0.00 O ATOM 942 CB ARG A 55 -6.142 -1.330 4.414 1.00 0.00 C ATOM 943 CG ARG A 55 -6.921 -0.920 5.663 1.00 0.00 C ATOM 944 CD ARG A 55 -7.376 0.532 5.523 1.00 0.00 C ATOM 945 NE ARG A 55 -8.687 0.454 4.817 1.00 0.00 N ATOM 946 CZ ARG A 55 -9.792 0.179 5.474 1.00 0.00 C ATOM 947 NH1 ARG A 55 -9.771 -0.065 6.760 1.00 0.00 N ATOM 948 NH2 ARG A 55 -10.927 0.141 4.832 1.00 0.00 N ATOM 0 H ARG A 55 -6.235 -3.712 4.287 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.111 -1.606 3.520 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.350 -2.030 4.681 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.661 -0.458 3.971 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.784 -1.572 5.797 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.296 -1.033 6.549 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.479 1.010 6.497 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.655 1.119 4.955 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.727 0.616 3.811 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.887 -0.044 7.269 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.638 -0.277 7.253 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.952 0.324 3.829 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.790 -0.072 5.333 1.00 0.00 H new ATOM 962 N ALA A 56 -5.583 -2.285 1.535 1.00 0.00 N ATOM 963 CA ALA A 56 -5.121 -2.055 0.149 1.00 0.00 C ATOM 964 C ALA A 56 -6.208 -2.563 -0.804 1.00 0.00 C ATOM 965 O ALA A 56 -6.250 -2.204 -1.964 1.00 0.00 O ATOM 966 CB ALA A 56 -3.819 -2.859 0.031 1.00 0.00 C ATOM 0 H ALA A 56 -5.020 -2.939 2.079 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.941 -1.009 -0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.409 -2.742 -0.972 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.098 -2.494 0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.024 -3.913 0.219 1.00 0.00 H new ATOM 972 N ARG A 57 -7.113 -3.381 -0.308 1.00 0.00 N ATOM 973 CA ARG A 57 -8.211 -3.885 -1.169 1.00 0.00 C ATOM 974 C ARG A 57 -9.390 -2.904 -1.119 1.00 0.00 C ATOM 975 O ARG A 57 -10.165 -2.796 -2.049 1.00 0.00 O ATOM 976 CB ARG A 57 -8.603 -5.244 -0.582 1.00 0.00 C ATOM 977 CG ARG A 57 -9.840 -5.783 -1.305 1.00 0.00 C ATOM 978 CD ARG A 57 -9.455 -6.230 -2.716 1.00 0.00 C ATOM 979 NE ARG A 57 -10.728 -6.708 -3.329 1.00 0.00 N ATOM 980 CZ ARG A 57 -11.263 -7.850 -2.963 1.00 0.00 C ATOM 981 NH1 ARG A 57 -10.688 -8.605 -2.060 1.00 0.00 N ATOM 982 NH2 ARG A 57 -12.383 -8.239 -3.510 1.00 0.00 N ATOM 0 H ARG A 57 -7.130 -3.715 0.656 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.913 -3.981 -2.213 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.776 -5.947 -0.684 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.808 -5.145 0.484 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.262 -6.621 -0.750 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.610 -5.013 -1.354 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.026 -5.407 -3.288 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.708 -7.023 -2.689 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.188 -6.141 -4.041 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.812 -8.308 -1.630 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.117 -9.489 -1.787 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.835 -7.657 -4.215 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.806 -9.125 -3.232 1.00 0.00 H new ATOM 996 N TYR A 58 -9.505 -2.164 -0.045 1.00 0.00 N ATOM 997 CA TYR A 58 -10.597 -1.157 0.072 1.00 0.00 C ATOM 998 C TYR A 58 -10.433 -0.181 -1.071 1.00 0.00 C ATOM 999 O TYR A 58 -11.365 0.242 -1.729 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.308 -0.448 1.399 1.00 0.00 C ATOM 1001 CG TYR A 58 -11.073 0.859 1.495 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.388 0.935 1.034 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.457 1.995 2.048 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -13.095 2.139 1.122 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -11.166 3.199 2.136 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.484 3.270 1.674 1.00 0.00 C ATOM 1007 OH TYR A 58 -13.182 4.459 1.760 1.00 0.00 O ATOM 0 H TYR A 58 -8.882 -2.217 0.761 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.602 -1.579 0.041 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.584 -1.097 2.230 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.239 -0.255 1.487 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.861 0.062 0.608 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.439 1.939 2.404 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -14.112 2.195 0.764 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.695 4.073 2.561 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.613 5.144 2.169 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.215 0.176 -1.267 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.859 1.141 -2.322 1.00 0.00 C ATOM 1019 C TRP A 59 -9.066 0.516 -3.687 1.00 0.00 C ATOM 1020 O TRP A 59 -9.842 0.995 -4.487 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.406 1.474 -2.007 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.450 2.170 -0.696 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.885 1.762 0.464 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.185 3.370 -0.396 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.222 2.672 1.459 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.022 3.687 0.967 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.964 4.209 -1.194 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.624 4.815 1.526 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.572 5.343 -0.644 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.403 5.648 0.715 1.00 0.00 C ATOM 0 H TRP A 59 -8.423 -0.170 -0.725 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.471 2.043 -2.345 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.796 0.572 -1.955 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.970 2.110 -2.778 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.276 0.880 0.594 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.918 2.600 2.430 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -9.098 3.982 -2.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.490 5.043 2.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.174 5.986 -1.268 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.874 6.525 1.135 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.431 -0.581 -3.947 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.653 -1.258 -5.253 1.00 0.00 C ATOM 1043 C LEU A 60 -10.159 -1.505 -5.425 1.00 0.00 C ATOM 1044 O LEU A 60 -10.653 -1.666 -6.523 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.894 -2.584 -5.161 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.390 -2.325 -5.265 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.626 -3.521 -4.691 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.005 -2.137 -6.734 1.00 0.00 C ATOM 0 H LEU A 60 -7.771 -1.041 -3.320 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.308 -0.669 -6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.123 -3.081 -4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.214 -3.253 -5.960 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.137 -1.426 -4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.554 -3.337 -4.765 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.899 -3.659 -3.645 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.880 -4.419 -5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.933 -1.952 -6.809 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.258 -3.037 -7.294 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.549 -1.287 -7.147 1.00 0.00 H new ATOM 1060 N SER A 61 -10.890 -1.531 -4.334 1.00 0.00 N ATOM 1061 CA SER A 61 -12.357 -1.758 -4.420 1.00 0.00 C ATOM 1062 C SER A 61 -13.088 -0.459 -4.784 1.00 0.00 C ATOM 1063 O SER A 61 -14.190 -0.487 -5.296 1.00 0.00 O ATOM 1064 CB SER A 61 -12.767 -2.233 -3.026 1.00 0.00 C ATOM 1065 OG SER A 61 -14.152 -1.979 -2.832 1.00 0.00 O ATOM 0 H SER A 61 -10.527 -1.404 -3.389 1.00 0.00 H new ATOM 0 HA SER A 61 -12.612 -2.484 -5.192 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.562 -3.298 -2.917 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.181 -1.716 -2.266 1.00 0.00 H new ATOM 0 HG SER A 61 -14.419 -2.284 -1.940 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.494 0.681 -4.531 1.00 0.00 N ATOM 1072 CA VAL A 62 -13.176 1.954 -4.875 1.00 0.00 C ATOM 1073 C VAL A 62 -12.637 2.481 -6.205 1.00 0.00 C ATOM 1074 O VAL A 62 -12.557 3.672 -6.436 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.869 2.929 -3.724 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -13.171 2.274 -2.373 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.396 3.354 -3.758 1.00 0.00 C ATOM 0 H VAL A 62 -11.573 0.779 -4.104 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.252 1.826 -4.991 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.501 3.808 -3.850 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.948 2.977 -1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.224 1.996 -2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.556 1.382 -2.255 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.197 4.043 -2.937 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.761 2.474 -3.655 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.181 3.847 -4.706 1.00 0.00 H new ATOM 1087 N GLY A 63 -12.276 1.589 -7.077 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.745 2.000 -8.406 1.00 0.00 C ATOM 1089 C GLY A 63 -10.343 2.595 -8.250 1.00 0.00 C ATOM 1090 O GLY A 63 -9.915 3.403 -9.050 1.00 0.00 O ATOM 0 H GLY A 63 -12.326 0.581 -6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.711 1.140 -9.075 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.411 2.733 -8.862 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.621 2.210 -7.231 1.00 0.00 N ATOM 1095 CA ALA A 64 -8.256 2.767 -7.046 1.00 0.00 C ATOM 1096 C ALA A 64 -7.282 2.138 -8.046 1.00 0.00 C ATOM 1097 O ALA A 64 -7.139 0.933 -8.111 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.860 2.400 -5.618 1.00 0.00 C ATOM 0 H ALA A 64 -9.918 1.537 -6.524 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.232 3.844 -7.212 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.860 2.780 -5.409 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.570 2.842 -4.919 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.867 1.316 -5.506 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.608 2.941 -8.822 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.642 2.381 -9.811 1.00 0.00 C ATOM 1106 C GLN A 65 -4.210 2.458 -9.254 1.00 0.00 C ATOM 1107 O GLN A 65 -3.731 3.529 -8.939 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.791 3.257 -11.062 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.290 4.678 -10.781 1.00 0.00 C ATOM 1110 CD GLN A 65 -6.069 5.672 -11.647 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -6.841 6.462 -11.141 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -5.897 5.666 -12.940 1.00 0.00 N ATOM 0 H GLN A 65 -6.683 3.958 -8.815 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.838 1.332 -10.032 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.227 2.822 -11.888 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.836 3.287 -11.370 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.419 4.919 -9.726 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.224 4.749 -10.996 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.249 5.003 -13.365 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.411 6.324 -13.526 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.568 1.318 -9.142 1.00 0.00 N ATOM 1122 CA PRO A 66 -2.186 1.287 -8.616 1.00 0.00 C ATOM 1123 C PRO A 66 -1.182 1.659 -9.716 1.00 0.00 C ATOM 1124 O PRO A 66 -1.518 1.713 -10.882 1.00 0.00 O ATOM 1125 CB PRO A 66 -1.998 -0.161 -8.188 1.00 0.00 C ATOM 1126 CG PRO A 66 -2.957 -0.955 -9.023 1.00 0.00 C ATOM 1127 CD PRO A 66 -4.057 -0.025 -9.478 1.00 0.00 C ATOM 0 HA PRO A 66 -2.025 1.995 -7.803 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.971 -0.488 -8.352 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.207 -0.286 -7.125 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.446 -1.390 -9.882 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.371 -1.782 -8.446 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.242 -0.123 -10.548 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.996 -0.244 -8.970 1.00 0.00 H new ATOM 1135 N THR A 67 0.050 1.909 -9.356 1.00 0.00 N ATOM 1136 CA THR A 67 1.070 2.265 -10.388 1.00 0.00 C ATOM 1137 C THR A 67 1.732 0.990 -10.924 1.00 0.00 C ATOM 1138 O THR A 67 1.568 -0.077 -10.378 1.00 0.00 O ATOM 1139 CB THR A 67 2.093 3.143 -9.663 1.00 0.00 C ATOM 1140 OG1 THR A 67 2.186 2.741 -8.304 1.00 0.00 O ATOM 1141 CG2 THR A 67 1.656 4.606 -9.734 1.00 0.00 C ATOM 0 H THR A 67 0.394 1.882 -8.396 1.00 0.00 H new ATOM 0 HA THR A 67 0.633 2.784 -11.241 1.00 0.00 H new ATOM 0 HB THR A 67 3.066 3.033 -10.141 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.842 3.302 -7.841 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.386 5.229 -9.217 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.588 4.915 -10.777 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.682 4.718 -9.259 1.00 0.00 H new ATOM 1149 N ASP A 68 2.469 1.090 -11.994 1.00 0.00 N ATOM 1150 CA ASP A 68 3.123 -0.126 -12.567 1.00 0.00 C ATOM 1151 C ASP A 68 3.956 -0.860 -11.510 1.00 0.00 C ATOM 1152 O ASP A 68 4.131 -2.061 -11.570 1.00 0.00 O ATOM 1153 CB ASP A 68 4.024 0.399 -13.684 1.00 0.00 C ATOM 1154 CG ASP A 68 4.980 1.451 -13.118 1.00 0.00 C ATOM 1155 OD1 ASP A 68 4.547 2.577 -12.932 1.00 0.00 O ATOM 1156 OD2 ASP A 68 6.127 1.113 -12.878 1.00 0.00 O ATOM 0 H ASP A 68 2.649 1.958 -12.498 1.00 0.00 H new ATOM 0 HA ASP A 68 2.387 -0.844 -12.929 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.590 -0.422 -14.125 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.419 0.833 -14.480 1.00 0.00 H new ATOM 1161 N THR A 69 4.480 -0.152 -10.553 1.00 0.00 N ATOM 1162 CA THR A 69 5.313 -0.809 -9.504 1.00 0.00 C ATOM 1163 C THR A 69 4.486 -1.092 -8.251 1.00 0.00 C ATOM 1164 O THR A 69 4.559 -2.158 -7.675 1.00 0.00 O ATOM 1165 CB THR A 69 6.381 0.212 -9.178 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.994 0.662 -10.379 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.439 -0.394 -8.249 1.00 0.00 C ATOM 0 H THR A 69 4.369 0.857 -10.449 1.00 0.00 H new ATOM 0 HA THR A 69 5.717 -1.762 -9.845 1.00 0.00 H new ATOM 0 HB THR A 69 5.915 1.056 -8.669 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.302 0.938 -11.016 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.199 0.355 -8.026 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.966 -0.719 -7.322 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.905 -1.249 -8.738 1.00 0.00 H new ATOM 1175 N ALA A 70 3.702 -0.141 -7.824 1.00 0.00 N ATOM 1176 CA ALA A 70 2.880 -0.352 -6.607 1.00 0.00 C ATOM 1177 C ALA A 70 1.787 -1.361 -6.916 1.00 0.00 C ATOM 1178 O ALA A 70 1.294 -2.046 -6.043 1.00 0.00 O ATOM 1179 CB ALA A 70 2.278 1.012 -6.278 1.00 0.00 C ATOM 0 H ALA A 70 3.597 0.772 -8.267 1.00 0.00 H new ATOM 0 HA ALA A 70 3.461 -0.737 -5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.656 0.930 -5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.079 1.729 -6.097 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.668 1.352 -7.115 1.00 0.00 H new ATOM 1185 N ARG A 71 1.423 -1.479 -8.162 1.00 0.00 N ATOM 1186 CA ARG A 71 0.391 -2.464 -8.520 1.00 0.00 C ATOM 1187 C ARG A 71 1.004 -3.838 -8.353 1.00 0.00 C ATOM 1188 O ARG A 71 0.366 -4.773 -7.912 1.00 0.00 O ATOM 1189 CB ARG A 71 0.040 -2.197 -9.987 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.897 -3.294 -10.501 1.00 0.00 C ATOM 1191 CD ARG A 71 -1.506 -2.859 -11.836 1.00 0.00 C ATOM 1192 NE ARG A 71 -1.812 -4.130 -12.554 1.00 0.00 N ATOM 1193 CZ ARG A 71 -0.850 -4.865 -13.062 1.00 0.00 C ATOM 1194 NH1 ARG A 71 0.405 -4.506 -12.947 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -1.148 -5.971 -13.690 1.00 0.00 N ATOM 0 H ARG A 71 1.799 -0.934 -8.938 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.505 -2.399 -7.903 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.437 -1.222 -10.085 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.948 -2.169 -10.589 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.348 -4.227 -10.626 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.686 -3.484 -9.773 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.407 -2.265 -11.684 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.810 -2.242 -12.405 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.781 -4.432 -12.652 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.646 -3.644 -12.457 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.141 -5.088 -13.347 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.122 -6.258 -13.783 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.406 -6.547 -14.087 1.00 0.00 H new ATOM 1209 N ARG A 72 2.263 -3.961 -8.678 1.00 0.00 N ATOM 1210 CA ARG A 72 2.922 -5.271 -8.519 1.00 0.00 C ATOM 1211 C ARG A 72 2.991 -5.615 -7.036 1.00 0.00 C ATOM 1212 O ARG A 72 2.950 -6.765 -6.648 1.00 0.00 O ATOM 1213 CB ARG A 72 4.318 -5.100 -9.113 1.00 0.00 C ATOM 1214 CG ARG A 72 4.577 -6.222 -10.115 1.00 0.00 C ATOM 1215 CD ARG A 72 5.984 -6.784 -9.899 1.00 0.00 C ATOM 1216 NE ARG A 72 6.858 -5.989 -10.808 1.00 0.00 N ATOM 1217 CZ ARG A 72 8.166 -6.100 -10.749 1.00 0.00 C ATOM 1218 NH1 ARG A 72 8.734 -6.918 -9.899 1.00 0.00 N ATOM 1219 NH2 ARG A 72 8.909 -5.385 -11.550 1.00 0.00 N ATOM 0 H ARG A 72 2.852 -3.213 -9.043 1.00 0.00 H new ATOM 0 HA ARG A 72 2.386 -6.080 -9.016 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.401 -4.131 -9.605 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.068 -5.122 -8.322 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.836 -7.012 -9.993 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.477 -5.845 -11.133 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.296 -6.680 -8.860 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.026 -7.846 -10.139 1.00 0.00 H new ATOM 0 HE ARG A 72 6.436 -5.352 -11.483 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.160 -7.480 -9.271 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.751 -6.993 -9.865 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.473 -4.746 -12.215 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.925 -5.465 -11.511 1.00 0.00 H new ATOM 1233 N LEU A 73 3.086 -4.619 -6.201 1.00 0.00 N ATOM 1234 CA LEU A 73 3.145 -4.877 -4.750 1.00 0.00 C ATOM 1235 C LEU A 73 1.761 -5.246 -4.242 1.00 0.00 C ATOM 1236 O LEU A 73 1.614 -6.042 -3.338 1.00 0.00 O ATOM 1237 CB LEU A 73 3.639 -3.578 -4.125 1.00 0.00 C ATOM 1238 CG LEU A 73 4.987 -3.229 -4.740 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.441 -1.852 -4.252 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.018 -4.282 -4.335 1.00 0.00 C ATOM 0 H LEU A 73 3.125 -3.636 -6.469 1.00 0.00 H new ATOM 0 HA LEU A 73 3.807 -5.706 -4.497 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.923 -2.776 -4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.733 -3.689 -3.045 1.00 0.00 H new ATOM 0 HG LEU A 73 4.893 -3.209 -5.826 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.406 -1.609 -4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.707 -1.102 -4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.534 -1.863 -3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.984 -4.033 -4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.108 -4.304 -3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.698 -5.261 -4.692 1.00 0.00 H new ATOM 1252 N LEU A 74 0.738 -4.701 -4.840 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.628 -5.064 -4.405 1.00 0.00 C ATOM 1254 C LEU A 74 -0.846 -6.531 -4.755 1.00 0.00 C ATOM 1255 O LEU A 74 -1.547 -7.252 -4.078 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.565 -4.157 -5.199 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.598 -2.772 -4.550 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.531 -1.858 -5.345 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -2.112 -2.894 -3.113 1.00 0.00 C ATOM 0 H LEU A 74 0.793 -4.027 -5.603 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.799 -4.938 -3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.226 -4.079 -6.232 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.568 -4.583 -5.224 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.593 -2.351 -4.544 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.555 -0.871 -4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.169 -1.770 -6.369 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.536 -2.280 -5.351 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.136 -1.907 -2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.117 -3.315 -3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.450 -3.546 -2.544 1.00 0.00 H new ATOM 1271 N ARG A 75 -0.204 -6.985 -5.797 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.325 -8.408 -6.186 1.00 0.00 C ATOM 1273 C ARG A 75 0.594 -9.222 -5.285 1.00 0.00 C ATOM 1274 O ARG A 75 0.332 -10.364 -4.965 1.00 0.00 O ATOM 1275 CB ARG A 75 0.141 -8.473 -7.641 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.650 -9.549 -8.387 1.00 0.00 C ATOM 1277 CD ARG A 75 0.128 -10.868 -8.367 1.00 0.00 C ATOM 1278 NE ARG A 75 1.338 -10.614 -9.201 1.00 0.00 N ATOM 1279 CZ ARG A 75 2.374 -11.420 -9.150 1.00 0.00 C ATOM 1280 NH1 ARG A 75 2.374 -12.466 -8.362 1.00 0.00 N ATOM 1281 NH2 ARG A 75 3.418 -11.175 -9.892 1.00 0.00 N ATOM 0 H ARG A 75 0.401 -6.423 -6.396 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.337 -8.801 -6.087 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.000 -7.505 -8.122 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.207 -8.697 -7.682 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.626 -9.684 -7.922 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.828 -9.236 -9.416 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.401 -11.150 -7.350 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.468 -11.684 -8.775 1.00 0.00 H new ATOM 0 HE ARG A 75 1.361 -9.803 -9.820 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.562 -12.664 -7.777 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.186 -13.083 -8.333 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.427 -10.361 -10.507 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.226 -11.797 -9.857 1.00 0.00 H new ATOM 1295 N GLN A 76 1.672 -8.619 -4.863 1.00 0.00 N ATOM 1296 CA GLN A 76 2.621 -9.313 -3.970 1.00 0.00 C ATOM 1297 C GLN A 76 2.073 -9.330 -2.555 1.00 0.00 C ATOM 1298 O GLN A 76 2.345 -10.218 -1.772 1.00 0.00 O ATOM 1299 CB GLN A 76 3.888 -8.479 -4.068 1.00 0.00 C ATOM 1300 CG GLN A 76 5.110 -9.362 -3.822 1.00 0.00 C ATOM 1301 CD GLN A 76 5.789 -9.666 -5.158 1.00 0.00 C ATOM 1302 OE1 GLN A 76 6.132 -10.797 -5.436 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.996 -8.694 -6.004 1.00 0.00 N ATOM 0 H GLN A 76 1.932 -7.663 -5.106 1.00 0.00 H new ATOM 0 HA GLN A 76 2.797 -10.354 -4.242 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.955 -8.017 -5.053 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.859 -7.670 -3.338 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.808 -8.859 -3.152 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.811 -10.289 -3.333 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.708 -7.744 -5.770 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.446 -8.884 -6.899 1.00 0.00 H new ATOM 1312 N ALA A 77 1.284 -8.358 -2.237 1.00 0.00 N ATOM 1313 CA ALA A 77 0.681 -8.301 -0.887 1.00 0.00 C ATOM 1314 C ALA A 77 -0.417 -9.363 -0.756 1.00 0.00 C ATOM 1315 O ALA A 77 -0.967 -9.571 0.307 1.00 0.00 O ATOM 1316 CB ALA A 77 0.079 -6.904 -0.778 1.00 0.00 C ATOM 0 H ALA A 77 1.027 -7.591 -2.859 1.00 0.00 H new ATOM 0 HA ALA A 77 1.412 -8.493 -0.102 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.389 -6.785 0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.865 -6.159 -0.898 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.671 -6.769 -1.558 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.741 -10.039 -1.829 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.801 -11.083 -1.760 1.00 0.00 C ATOM 1324 C GLY A 78 -3.168 -10.467 -2.078 1.00 0.00 C ATOM 1325 O GLY A 78 -4.195 -11.018 -1.734 1.00 0.00 O ATOM 0 H GLY A 78 -0.316 -9.911 -2.748 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.581 -11.883 -2.467 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.817 -11.531 -0.766 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.199 -9.333 -2.731 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.510 -8.705 -3.058 1.00 0.00 C ATOM 1331 C VAL A 79 -5.146 -9.401 -4.266 1.00 0.00 C ATOM 1332 O VAL A 79 -6.201 -9.995 -4.168 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.216 -7.245 -3.387 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.536 -6.486 -3.538 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.392 -6.602 -2.264 1.00 0.00 C ATOM 0 H VAL A 79 -2.377 -8.819 -3.049 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.208 -8.792 -2.225 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.649 -7.199 -4.317 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.330 -5.442 -3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.121 -6.931 -4.343 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.098 -6.544 -2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.189 -5.560 -2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.951 -6.650 -1.329 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.450 -7.138 -2.152 1.00 0.00 H new