USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 467 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 165:sc= -0.0451 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 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -123:sc= 0.66 (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= -0.366 X(o=-0.37,f=-0.57) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0729 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.651 X(o=-0.65,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.088 8.729 -6.399 1.00 0.00 N ATOM 21 CA VAL A 2 -7.726 7.553 -5.554 1.00 0.00 C ATOM 22 C VAL A 2 -6.675 6.688 -6.257 1.00 0.00 C ATOM 23 O VAL A 2 -6.981 5.936 -7.160 1.00 0.00 O ATOM 24 CB VAL A 2 -9.031 6.775 -5.386 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.786 5.552 -4.501 1.00 0.00 C ATOM 26 CG2 VAL A 2 -10.082 7.676 -4.733 1.00 0.00 C ATOM 0 HA VAL A 2 -7.297 7.852 -4.597 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.388 6.450 -6.363 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.717 4.997 -4.381 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.038 4.910 -4.966 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.428 5.876 -3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -11.013 7.122 -4.613 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.725 8.002 -3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.257 8.547 -5.364 1.00 0.00 H new ATOM 36 N LYS A 3 -5.437 6.789 -5.850 1.00 0.00 N ATOM 37 CA LYS A 3 -4.370 5.971 -6.497 1.00 0.00 C ATOM 38 C LYS A 3 -3.377 5.448 -5.453 1.00 0.00 C ATOM 39 O LYS A 3 -2.990 6.155 -4.544 1.00 0.00 O ATOM 40 CB LYS A 3 -3.664 6.932 -7.453 1.00 0.00 C ATOM 41 CG LYS A 3 -4.581 7.255 -8.635 1.00 0.00 C ATOM 42 CD LYS A 3 -3.862 6.917 -9.943 1.00 0.00 C ATOM 43 CE LYS A 3 -2.549 7.699 -10.027 1.00 0.00 C ATOM 44 NZ LYS A 3 -2.303 7.884 -11.483 1.00 0.00 N ATOM 0 H LYS A 3 -5.119 7.402 -5.099 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.781 5.100 -7.007 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.395 7.849 -6.929 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.736 6.486 -7.812 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.507 6.684 -8.558 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.855 8.310 -8.620 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.663 5.847 -9.994 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.498 7.163 -10.793 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.627 8.658 -9.515 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.733 7.152 -9.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.418 8.413 -11.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.226 6.954 -11.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -3.093 8.414 -11.904 1.00 0.00 H new ATOM 58 N ILE A 4 -2.945 4.220 -5.585 1.00 0.00 N ATOM 59 CA ILE A 4 -1.962 3.668 -4.613 1.00 0.00 C ATOM 60 C ILE A 4 -0.560 3.732 -5.235 1.00 0.00 C ATOM 61 O ILE A 4 -0.352 3.323 -6.360 1.00 0.00 O ATOM 62 CB ILE A 4 -2.420 2.226 -4.339 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.526 2.249 -3.292 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.260 1.370 -3.818 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.848 2.598 -3.970 1.00 0.00 C ATOM 0 H ILE A 4 -3.232 3.578 -6.324 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.914 4.226 -3.678 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.781 1.793 -5.272 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.600 1.278 -2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.296 2.981 -2.518 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.612 0.355 -3.632 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.462 1.348 -4.560 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.880 1.798 -2.890 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.645 2.616 -3.226 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.768 3.578 -4.440 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -5.077 1.849 -4.728 1.00 0.00 H new ATOM 77 N ARG A 5 0.398 4.259 -4.521 1.00 0.00 N ATOM 78 CA ARG A 5 1.769 4.366 -5.086 1.00 0.00 C ATOM 79 C ARG A 5 2.821 4.306 -3.977 1.00 0.00 C ATOM 80 O ARG A 5 2.503 4.135 -2.817 1.00 0.00 O ATOM 81 CB ARG A 5 1.806 5.725 -5.787 1.00 0.00 C ATOM 82 CG ARG A 5 1.434 6.827 -4.791 1.00 0.00 C ATOM 83 CD ARG A 5 2.703 7.541 -4.320 1.00 0.00 C ATOM 84 NE ARG A 5 2.332 8.985 -4.264 1.00 0.00 N ATOM 85 CZ ARG A 5 2.213 9.691 -5.364 1.00 0.00 C ATOM 86 NH1 ARG A 5 2.411 9.148 -6.539 1.00 0.00 N ATOM 87 NH2 ARG A 5 1.890 10.952 -5.286 1.00 0.00 N ATOM 0 H ARG A 5 0.289 4.619 -3.573 1.00 0.00 H new ATOM 0 HA ARG A 5 1.991 3.546 -5.769 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.801 5.909 -6.194 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.112 5.731 -6.627 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.755 7.540 -5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.908 6.398 -3.938 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.022 7.177 -3.343 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.530 7.372 -5.009 1.00 0.00 H new ATOM 0 HE ARG A 5 2.169 9.429 -3.360 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.662 8.162 -6.609 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.314 9.711 -7.384 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.732 11.383 -4.375 1.00 0.00 H new ATOM 0 HH22 ARG A 5 1.795 11.508 -6.136 1.00 0.00 H new ATOM 101 N LEU A 6 4.072 4.455 -4.324 1.00 0.00 N ATOM 102 CA LEU A 6 5.141 4.409 -3.282 1.00 0.00 C ATOM 103 C LEU A 6 5.407 5.804 -2.715 1.00 0.00 C ATOM 104 O LEU A 6 5.670 6.744 -3.440 1.00 0.00 O ATOM 105 CB LEU A 6 6.402 3.902 -3.997 1.00 0.00 C ATOM 106 CG LEU A 6 6.365 2.379 -4.148 1.00 0.00 C ATOM 107 CD1 LEU A 6 7.697 1.893 -4.723 1.00 0.00 C ATOM 108 CD2 LEU A 6 6.132 1.718 -2.787 1.00 0.00 C ATOM 0 H LEU A 6 4.399 4.606 -5.278 1.00 0.00 H new ATOM 0 HA LEU A 6 4.848 3.767 -2.451 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.481 4.368 -4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.288 4.195 -3.433 1.00 0.00 H new ATOM 0 HG LEU A 6 5.550 2.110 -4.820 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.673 0.809 -4.831 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.861 2.351 -5.698 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.507 2.172 -4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.108 0.635 -2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.940 1.989 -2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.182 2.058 -2.375 1.00 0.00 H new ATOM 120 N ALA A 7 5.359 5.935 -1.422 1.00 0.00 N ATOM 121 CA ALA A 7 5.630 7.254 -0.785 1.00 0.00 C ATOM 122 C ALA A 7 7.071 7.268 -0.268 1.00 0.00 C ATOM 123 O ALA A 7 7.390 6.607 0.689 1.00 0.00 O ATOM 124 CB ALA A 7 4.640 7.317 0.372 1.00 0.00 C ATOM 0 H ALA A 7 5.142 5.180 -0.772 1.00 0.00 H new ATOM 0 HA ALA A 7 5.519 8.100 -1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.764 8.259 0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.623 7.250 -0.015 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.824 6.487 1.054 1.00 0.00 H new ATOM 130 N ARG A 8 7.952 7.982 -0.908 1.00 0.00 N ATOM 131 CA ARG A 8 9.375 7.980 -0.459 1.00 0.00 C ATOM 132 C ARG A 8 9.611 8.863 0.774 1.00 0.00 C ATOM 133 O ARG A 8 9.409 10.061 0.744 1.00 0.00 O ATOM 134 CB ARG A 8 10.159 8.527 -1.650 1.00 0.00 C ATOM 135 CG ARG A 8 11.630 8.129 -1.512 1.00 0.00 C ATOM 136 CD ARG A 8 12.434 9.326 -1.000 1.00 0.00 C ATOM 137 NE ARG A 8 13.824 8.812 -0.828 1.00 0.00 N ATOM 138 CZ ARG A 8 14.590 8.588 -1.870 1.00 0.00 C ATOM 139 NH1 ARG A 8 14.153 8.802 -3.087 1.00 0.00 N ATOM 140 NH2 ARG A 8 15.805 8.146 -1.691 1.00 0.00 N ATOM 0 H ARG A 8 7.752 8.566 -1.720 1.00 0.00 H new ATOM 0 HA ARG A 8 9.682 6.977 -0.161 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.750 8.134 -2.581 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.066 9.612 -1.694 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.728 7.290 -0.824 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.021 7.799 -2.475 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.404 10.154 -1.709 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.031 9.698 -0.058 1.00 0.00 H new ATOM 0 HE ARG A 8 14.183 8.633 0.110 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.205 9.148 -3.235 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.761 8.623 -3.886 1.00 0.00 H new ATOM 0 HH21 ARG A 8 16.152 7.977 -0.747 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.407 7.969 -2.495 1.00 0.00 H new ATOM 276 N TYR A 17 9.616 3.041 1.096 1.00 0.00 N ATOM 277 CA TYR A 17 8.414 3.769 0.641 1.00 0.00 C ATOM 278 C TYR A 17 7.186 3.093 1.189 1.00 0.00 C ATOM 279 O TYR A 17 7.220 1.942 1.561 1.00 0.00 O ATOM 280 CB TYR A 17 8.378 3.619 -0.871 1.00 0.00 C ATOM 281 CG TYR A 17 9.598 4.196 -1.530 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.846 3.592 -1.354 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.470 5.316 -2.355 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.968 4.114 -1.999 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.590 5.836 -3.005 1.00 0.00 C ATOM 286 CZ TYR A 17 11.844 5.236 -2.827 1.00 0.00 C ATOM 287 OH TYR A 17 12.951 5.748 -3.470 1.00 0.00 O ATOM 0 HA TYR A 17 8.440 4.810 0.964 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.295 2.563 -1.127 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.489 4.113 -1.262 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.942 2.723 -0.720 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.504 5.780 -2.490 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.934 3.652 -1.859 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.491 6.700 -3.645 1.00 0.00 H new ATOM 0 HH TYR A 17 12.663 6.360 -4.179 1.00 0.00 H new ATOM 297 N ARG A 18 6.091 3.775 1.189 1.00 0.00 N ATOM 298 CA ARG A 18 4.854 3.137 1.649 1.00 0.00 C ATOM 299 C ARG A 18 3.940 2.999 0.446 1.00 0.00 C ATOM 300 O ARG A 18 3.994 3.791 -0.474 1.00 0.00 O ATOM 301 CB ARG A 18 4.263 4.077 2.690 1.00 0.00 C ATOM 302 CG ARG A 18 3.305 3.304 3.576 1.00 0.00 C ATOM 303 CD ARG A 18 2.777 4.218 4.685 1.00 0.00 C ATOM 304 NE ARG A 18 2.402 3.300 5.799 1.00 0.00 N ATOM 305 CZ ARG A 18 2.216 3.758 7.016 1.00 0.00 C ATOM 306 NH1 ARG A 18 2.361 5.032 7.285 1.00 0.00 N ATOM 307 NH2 ARG A 18 1.884 2.934 7.971 1.00 0.00 N ATOM 0 H ARG A 18 6.002 4.746 0.890 1.00 0.00 H new ATOM 0 HA ARG A 18 5.005 2.149 2.083 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.058 4.518 3.292 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.741 4.899 2.200 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.475 2.919 2.983 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.812 2.443 4.012 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.536 4.933 5.002 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.918 4.796 4.344 1.00 0.00 H new ATOM 0 HE ARG A 18 2.288 2.303 5.613 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.622 5.683 6.544 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.213 5.373 8.235 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.770 1.940 7.771 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.738 3.283 8.918 1.00 0.00 H new ATOM 321 N ILE A 19 3.078 2.039 0.453 1.00 0.00 N ATOM 322 CA ILE A 19 2.144 1.896 -0.676 1.00 0.00 C ATOM 323 C ILE A 19 0.885 2.550 -0.147 1.00 0.00 C ATOM 324 O ILE A 19 -0.011 1.921 0.380 1.00 0.00 O ATOM 325 CB ILE A 19 1.980 0.390 -0.950 1.00 0.00 C ATOM 326 CG1 ILE A 19 3.217 -0.416 -0.510 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.814 0.169 -2.447 1.00 0.00 C ATOM 328 CD1 ILE A 19 2.942 -1.909 -0.698 1.00 0.00 C ATOM 0 H ILE A 19 2.980 1.345 1.194 1.00 0.00 H new ATOM 0 HA ILE A 19 2.449 2.348 -1.620 1.00 0.00 H new ATOM 0 HB ILE A 19 1.111 0.053 -0.385 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.086 -0.118 -1.096 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.449 -0.206 0.534 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.697 -0.896 -2.647 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.931 0.703 -2.798 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.695 0.542 -2.970 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.816 -2.482 -0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.083 -2.200 -0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.731 -2.111 -1.748 1.00 0.00 H new ATOM 340 N VAL A 20 0.909 3.849 -0.177 1.00 0.00 N ATOM 341 CA VAL A 20 -0.165 4.656 0.434 1.00 0.00 C ATOM 342 C VAL A 20 -1.198 5.125 -0.601 1.00 0.00 C ATOM 343 O VAL A 20 -0.998 5.028 -1.795 1.00 0.00 O ATOM 344 CB VAL A 20 0.653 5.809 1.078 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.536 7.117 0.294 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.198 6.032 2.514 1.00 0.00 C ATOM 0 H VAL A 20 1.652 4.396 -0.613 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.786 4.121 1.153 1.00 0.00 H new ATOM 0 HB VAL A 20 1.700 5.508 1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.126 7.890 0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.907 6.968 -0.720 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.508 7.427 0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.777 6.842 2.957 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.860 6.294 2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.351 5.119 3.090 1.00 0.00 H new ATOM 356 N VAL A 21 -2.321 5.593 -0.126 1.00 0.00 N ATOM 357 CA VAL A 21 -3.413 6.033 -1.037 1.00 0.00 C ATOM 358 C VAL A 21 -3.513 7.560 -1.060 1.00 0.00 C ATOM 359 O VAL A 21 -3.988 8.172 -0.127 1.00 0.00 O ATOM 360 CB VAL A 21 -4.712 5.428 -0.455 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.580 4.920 -1.594 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.421 4.256 0.485 1.00 0.00 C ATOM 0 H VAL A 21 -2.529 5.690 0.868 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.232 5.706 -2.061 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.218 6.211 0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.497 4.492 -1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.828 5.747 -2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.038 4.156 -2.151 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.359 3.859 0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.894 3.474 -0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.802 4.599 1.314 1.00 0.00 H new ATOM 372 N THR A 22 -3.082 8.179 -2.123 1.00 0.00 N ATOM 373 CA THR A 22 -3.168 9.670 -2.201 1.00 0.00 C ATOM 374 C THR A 22 -3.754 10.097 -3.548 1.00 0.00 C ATOM 375 O THR A 22 -4.189 9.281 -4.336 1.00 0.00 O ATOM 376 CB THR A 22 -1.730 10.183 -2.058 1.00 0.00 C ATOM 377 OG1 THR A 22 -1.694 11.566 -2.383 1.00 0.00 O ATOM 378 CG2 THR A 22 -0.799 9.416 -3.000 1.00 0.00 C ATOM 0 H THR A 22 -2.675 7.723 -2.939 1.00 0.00 H new ATOM 0 HA THR A 22 -3.815 10.075 -1.423 1.00 0.00 H new ATOM 0 HB THR A 22 -1.397 10.032 -1.031 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.777 11.900 -2.292 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.219 9.789 -2.889 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.825 8.355 -2.753 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.127 9.557 -4.030 1.00 0.00 H new ATOM 543 N TYR A 32 -1.479 11.604 1.743 1.00 0.00 N ATOM 544 CA TYR A 32 -2.409 10.534 1.272 1.00 0.00 C ATOM 545 C TYR A 32 -3.648 10.478 2.167 1.00 0.00 C ATOM 546 O TYR A 32 -3.793 11.245 3.099 1.00 0.00 O ATOM 547 CB TYR A 32 -1.624 9.217 1.367 1.00 0.00 C ATOM 548 CG TYR A 32 -0.940 9.112 2.712 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.687 8.819 3.859 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.443 9.309 2.807 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.050 8.723 5.102 1.00 0.00 C ATOM 552 CE2 TYR A 32 1.079 9.213 4.049 1.00 0.00 C ATOM 553 CZ TYR A 32 0.335 8.921 5.197 1.00 0.00 C ATOM 554 OH TYR A 32 0.964 8.825 6.422 1.00 0.00 O ATOM 0 HA TYR A 32 -2.751 10.722 0.254 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.299 8.372 1.227 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.883 9.169 0.569 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.754 8.667 3.785 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.018 9.535 1.921 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.625 8.496 5.988 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.146 9.365 4.122 1.00 0.00 H new ATOM 0 HH TYR A 32 1.924 8.989 6.311 1.00 0.00 H new ATOM 564 N ILE A 33 -4.543 9.574 1.887 1.00 0.00 N ATOM 565 CA ILE A 33 -5.778 9.457 2.711 1.00 0.00 C ATOM 566 C ILE A 33 -5.547 8.476 3.864 1.00 0.00 C ATOM 567 O ILE A 33 -6.068 8.641 4.949 1.00 0.00 O ATOM 568 CB ILE A 33 -6.834 8.917 1.748 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.041 9.916 0.609 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.153 8.716 2.491 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.279 9.160 -0.699 1.00 0.00 C ATOM 0 H ILE A 33 -4.472 8.907 1.119 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.077 10.405 3.157 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.498 7.963 1.342 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.892 10.561 0.828 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.168 10.561 0.514 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.904 8.331 1.801 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.008 8.005 3.304 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.490 9.669 2.899 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.426 9.873 -1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.415 8.533 -0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.166 8.534 -0.601 1.00 0.00 H new ATOM 583 N GLU A 34 -4.765 7.457 3.632 1.00 0.00 N ATOM 584 CA GLU A 34 -4.493 6.462 4.708 1.00 0.00 C ATOM 585 C GLU A 34 -3.283 5.601 4.332 1.00 0.00 C ATOM 586 O GLU A 34 -2.642 5.825 3.325 1.00 0.00 O ATOM 587 CB GLU A 34 -5.758 5.604 4.784 1.00 0.00 C ATOM 588 CG GLU A 34 -6.303 5.617 6.213 1.00 0.00 C ATOM 589 CD GLU A 34 -6.193 4.214 6.812 1.00 0.00 C ATOM 590 OE1 GLU A 34 -5.319 3.477 6.385 1.00 0.00 O ATOM 591 OE2 GLU A 34 -6.985 3.899 7.685 1.00 0.00 O ATOM 0 H GLU A 34 -4.302 7.270 2.742 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.265 6.936 5.663 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.510 5.986 4.094 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.535 4.582 4.479 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.744 6.329 6.821 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.343 5.944 6.214 1.00 0.00 H new ATOM 598 N LYS A 35 -2.967 4.620 5.130 1.00 0.00 N ATOM 599 CA LYS A 35 -1.797 3.749 4.813 1.00 0.00 C ATOM 600 C LYS A 35 -2.253 2.296 4.632 1.00 0.00 C ATOM 601 O LYS A 35 -2.694 1.652 5.563 1.00 0.00 O ATOM 602 CB LYS A 35 -0.857 3.887 6.017 1.00 0.00 C ATOM 603 CG LYS A 35 -1.517 3.300 7.271 1.00 0.00 C ATOM 604 CD LYS A 35 -1.204 4.186 8.480 1.00 0.00 C ATOM 605 CE LYS A 35 -2.292 5.252 8.631 1.00 0.00 C ATOM 606 NZ LYS A 35 -2.149 5.750 10.027 1.00 0.00 N ATOM 0 H LYS A 35 -3.466 4.382 5.987 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.303 4.038 3.885 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.082 3.372 5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.616 4.937 6.181 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.595 3.231 7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.153 2.288 7.446 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.148 3.579 9.384 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.231 4.661 8.354 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.159 6.057 7.909 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.283 4.832 8.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.862 6.485 10.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.287 4.963 10.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.198 6.150 10.157 1.00 0.00 H new ATOM 620 N ILE A 36 -2.162 1.774 3.438 1.00 0.00 N ATOM 621 CA ILE A 36 -2.606 0.363 3.219 1.00 0.00 C ATOM 622 C ILE A 36 -1.424 -0.552 2.978 1.00 0.00 C ATOM 623 O ILE A 36 -1.414 -1.686 3.420 1.00 0.00 O ATOM 624 CB ILE A 36 -3.509 0.409 1.992 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.697 0.848 0.763 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.638 1.402 2.247 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.613 0.958 -0.453 1.00 0.00 C ATOM 0 H ILE A 36 -1.804 2.255 2.613 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.124 -0.032 4.093 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.924 -0.581 1.803 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.218 1.808 0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.902 0.129 0.566 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.291 1.443 1.375 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.213 1.083 3.116 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.218 2.391 2.433 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.031 1.270 -1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.071 -0.011 -0.652 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.392 1.694 -0.256 1.00 0.00 H new ATOM 639 N GLY A 37 -0.436 -0.096 2.275 1.00 0.00 N ATOM 640 CA GLY A 37 0.716 -0.981 2.015 1.00 0.00 C ATOM 641 C GLY A 37 2.012 -0.320 2.447 1.00 0.00 C ATOM 642 O GLY A 37 2.089 0.876 2.622 1.00 0.00 O ATOM 0 H GLY A 37 -0.377 0.840 1.874 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.586 -1.921 2.551 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.762 -1.223 0.953 1.00 0.00 H new ATOM 646 N TYR A 38 3.042 -1.100 2.577 1.00 0.00 N ATOM 647 CA TYR A 38 4.371 -0.545 2.948 1.00 0.00 C ATOM 648 C TYR A 38 5.421 -1.155 2.021 1.00 0.00 C ATOM 649 O TYR A 38 5.249 -2.247 1.516 1.00 0.00 O ATOM 650 CB TYR A 38 4.618 -0.965 4.396 1.00 0.00 C ATOM 651 CG TYR A 38 5.699 -0.087 4.987 1.00 0.00 C ATOM 652 CD1 TYR A 38 5.357 1.126 5.598 1.00 0.00 C ATOM 653 CD2 TYR A 38 7.042 -0.484 4.922 1.00 0.00 C ATOM 654 CE1 TYR A 38 6.356 1.940 6.145 1.00 0.00 C ATOM 655 CE2 TYR A 38 8.040 0.333 5.469 1.00 0.00 C ATOM 656 CZ TYR A 38 7.697 1.545 6.080 1.00 0.00 C ATOM 657 OH TYR A 38 8.680 2.351 6.619 1.00 0.00 O ATOM 0 H TYR A 38 3.022 -2.111 2.441 1.00 0.00 H new ATOM 0 HA TYR A 38 4.417 0.540 2.853 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.700 -0.873 4.976 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.919 -2.012 4.438 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.323 1.433 5.647 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.307 -1.419 4.451 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.091 2.874 6.618 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.075 0.028 5.419 1.00 0.00 H new ATOM 0 HH TYR A 38 9.555 1.930 6.490 1.00 0.00 H new ATOM 667 N TYR A 39 6.498 -0.468 1.779 1.00 0.00 N ATOM 668 CA TYR A 39 7.535 -1.030 0.871 1.00 0.00 C ATOM 669 C TYR A 39 8.931 -0.644 1.377 1.00 0.00 C ATOM 670 O TYR A 39 9.157 0.478 1.785 1.00 0.00 O ATOM 671 CB TYR A 39 7.269 -0.384 -0.491 1.00 0.00 C ATOM 672 CG TYR A 39 8.309 -0.855 -1.485 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.667 -2.208 -1.533 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.917 0.058 -2.351 1.00 0.00 C ATOM 675 CE1 TYR A 39 9.632 -2.647 -2.447 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.882 -0.381 -3.267 1.00 0.00 C ATOM 677 CZ TYR A 39 10.239 -1.732 -3.315 1.00 0.00 C ATOM 678 OH TYR A 39 11.191 -2.162 -4.220 1.00 0.00 O ATOM 0 H TYR A 39 6.706 0.452 2.167 1.00 0.00 H new ATOM 0 HA TYR A 39 7.494 -2.118 0.819 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.271 -0.647 -0.841 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.300 0.702 -0.403 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.198 -2.914 -0.864 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.643 1.102 -2.314 1.00 0.00 H new ATOM 0 HE1 TYR A 39 9.908 -3.691 -2.482 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.351 0.325 -3.937 1.00 0.00 H new ATOM 0 HH TYR A 39 11.510 -1.399 -4.747 1.00 0.00 H new ATOM 688 N ASP A 40 9.872 -1.548 1.354 1.00 0.00 N ATOM 689 CA ASP A 40 11.243 -1.197 1.838 1.00 0.00 C ATOM 690 C ASP A 40 12.309 -1.828 0.934 1.00 0.00 C ATOM 691 O ASP A 40 12.866 -2.854 1.261 1.00 0.00 O ATOM 692 CB ASP A 40 11.331 -1.778 3.249 1.00 0.00 C ATOM 693 CG ASP A 40 12.727 -1.516 3.819 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.385 -0.613 3.329 1.00 0.00 O ATOM 695 OD2 ASP A 40 13.114 -2.223 4.735 1.00 0.00 O ATOM 0 H ASP A 40 9.756 -2.506 1.025 1.00 0.00 H new ATOM 0 HA ASP A 40 11.415 -0.121 1.827 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.574 -1.325 3.889 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.130 -2.849 3.227 1.00 0.00 H new ATOM 838 N LEU A 49 8.305 -6.269 1.851 1.00 0.00 N ATOM 839 CA LEU A 49 6.893 -5.966 1.494 1.00 0.00 C ATOM 840 C LEU A 49 5.970 -6.183 2.696 1.00 0.00 C ATOM 841 O LEU A 49 5.888 -7.263 3.246 1.00 0.00 O ATOM 842 CB LEU A 49 6.548 -6.960 0.387 1.00 0.00 C ATOM 843 CG LEU A 49 5.269 -6.514 -0.320 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.299 -6.995 -1.769 1.00 0.00 C ATOM 845 CD2 LEU A 49 4.058 -7.114 0.397 1.00 0.00 C ATOM 0 HA LEU A 49 6.768 -4.929 1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.368 -7.023 -0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.415 -7.957 0.808 1.00 0.00 H new ATOM 0 HG LEU A 49 5.198 -5.426 -0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.388 -6.678 -2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.164 -6.568 -2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.367 -8.083 -1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.144 -6.797 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.125 -8.202 0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.041 -6.771 1.431 1.00 0.00 H new ATOM 857 N LYS A 50 5.263 -5.165 3.094 1.00 0.00 N ATOM 858 CA LYS A 50 4.326 -5.302 4.246 1.00 0.00 C ATOM 859 C LYS A 50 3.013 -4.592 3.899 1.00 0.00 C ATOM 860 O LYS A 50 2.881 -3.397 4.080 1.00 0.00 O ATOM 861 CB LYS A 50 5.051 -4.626 5.424 1.00 0.00 C ATOM 862 CG LYS A 50 4.064 -4.267 6.545 1.00 0.00 C ATOM 863 CD LYS A 50 3.255 -5.504 6.946 1.00 0.00 C ATOM 864 CE LYS A 50 1.761 -5.199 6.803 1.00 0.00 C ATOM 865 NZ LYS A 50 1.107 -6.532 6.676 1.00 0.00 N ATOM 0 H LYS A 50 5.293 -4.238 2.670 1.00 0.00 H new ATOM 0 HA LYS A 50 4.074 -6.334 4.489 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.821 -5.292 5.812 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.555 -3.724 5.076 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.606 -3.881 7.408 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.393 -3.476 6.210 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.527 -6.351 6.316 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.484 -5.785 7.974 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.384 -4.655 7.669 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.567 -4.579 5.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.564 -6.569 5.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.834 -7.276 6.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.466 -6.683 7.481 1.00 0.00 H new ATOM 879 N VAL A 51 2.047 -5.308 3.382 1.00 0.00 N ATOM 880 CA VAL A 51 0.769 -4.642 3.014 1.00 0.00 C ATOM 881 C VAL A 51 -0.416 -5.240 3.766 1.00 0.00 C ATOM 882 O VAL A 51 -0.433 -6.398 4.134 1.00 0.00 O ATOM 883 CB VAL A 51 0.623 -4.853 1.482 1.00 0.00 C ATOM 884 CG1 VAL A 51 -0.836 -5.138 1.076 1.00 0.00 C ATOM 885 CG2 VAL A 51 1.058 -3.588 0.761 1.00 0.00 C ATOM 0 H VAL A 51 2.089 -6.311 3.202 1.00 0.00 H new ATOM 0 HA VAL A 51 0.781 -3.585 3.280 1.00 0.00 H new ATOM 0 HB VAL A 51 1.242 -5.708 1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.892 -5.279 -0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.184 -6.040 1.579 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.465 -4.296 1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.958 -3.730 -0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.430 -2.755 1.077 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.098 -3.371 1.003 1.00 0.00 H new ATOM 895 N ASP A 52 -1.432 -4.448 3.922 1.00 0.00 N ATOM 896 CA ASP A 52 -2.673 -4.923 4.562 1.00 0.00 C ATOM 897 C ASP A 52 -3.678 -5.136 3.437 1.00 0.00 C ATOM 898 O ASP A 52 -4.623 -4.385 3.300 1.00 0.00 O ATOM 899 CB ASP A 52 -3.117 -3.787 5.485 1.00 0.00 C ATOM 900 CG ASP A 52 -3.794 -4.363 6.732 1.00 0.00 C ATOM 901 OD1 ASP A 52 -3.962 -5.570 6.794 1.00 0.00 O ATOM 902 OD2 ASP A 52 -4.137 -3.583 7.607 1.00 0.00 O ATOM 0 H ASP A 52 -1.451 -3.472 3.626 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.565 -5.847 5.130 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.256 -3.184 5.774 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.806 -3.127 4.958 1.00 0.00 H new ATOM 907 N VAL A 53 -3.425 -6.124 2.599 1.00 0.00 N ATOM 908 CA VAL A 53 -4.302 -6.416 1.408 1.00 0.00 C ATOM 909 C VAL A 53 -5.767 -6.023 1.662 1.00 0.00 C ATOM 910 O VAL A 53 -6.442 -5.558 0.770 1.00 0.00 O ATOM 911 CB VAL A 53 -4.127 -7.936 1.076 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.653 -8.745 2.289 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.443 -8.547 0.566 1.00 0.00 C ATOM 0 H VAL A 53 -2.629 -6.754 2.694 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.003 -5.814 0.550 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.365 -7.989 0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.547 -9.793 2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.691 -8.361 2.629 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.384 -8.657 3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.292 -9.603 0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.212 -8.444 1.331 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.759 -8.027 -0.339 1.00 0.00 H new ATOM 923 N GLU A 54 -6.257 -6.172 2.861 1.00 0.00 N ATOM 924 CA GLU A 54 -7.661 -5.762 3.116 1.00 0.00 C ATOM 925 C GLU A 54 -7.810 -4.270 2.822 1.00 0.00 C ATOM 926 O GLU A 54 -8.661 -3.859 2.059 1.00 0.00 O ATOM 927 CB GLU A 54 -7.915 -6.063 4.594 1.00 0.00 C ATOM 928 CG GLU A 54 -9.402 -6.351 4.810 1.00 0.00 C ATOM 929 CD GLU A 54 -9.580 -7.213 6.061 1.00 0.00 C ATOM 930 OE1 GLU A 54 -8.834 -7.012 7.005 1.00 0.00 O ATOM 931 OE2 GLU A 54 -10.458 -8.060 6.054 1.00 0.00 O ATOM 0 H GLU A 54 -5.754 -6.554 3.662 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.376 -6.290 2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.319 -6.919 4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.605 -5.216 5.207 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.952 -5.416 4.919 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.814 -6.864 3.941 1.00 0.00 H new ATOM 938 N ARG A 55 -6.973 -3.457 3.401 1.00 0.00 N ATOM 939 CA ARG A 55 -7.053 -1.997 3.128 1.00 0.00 C ATOM 940 C ARG A 55 -6.545 -1.728 1.713 1.00 0.00 C ATOM 941 O ARG A 55 -7.114 -0.959 0.973 1.00 0.00 O ATOM 942 CB ARG A 55 -6.139 -1.330 4.157 1.00 0.00 C ATOM 943 CG ARG A 55 -6.753 -1.452 5.551 1.00 0.00 C ATOM 944 CD ARG A 55 -8.048 -0.637 5.623 1.00 0.00 C ATOM 945 NE ARG A 55 -7.655 0.751 5.244 1.00 0.00 N ATOM 946 CZ ARG A 55 -8.565 1.655 4.966 1.00 0.00 C ATOM 947 NH1 ARG A 55 -9.842 1.359 5.006 1.00 0.00 N ATOM 948 NH2 ARG A 55 -8.195 2.864 4.647 1.00 0.00 N ATOM 0 H ARG A 55 -6.239 -3.740 4.050 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.071 -1.615 3.201 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.155 -1.799 4.141 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.996 -0.280 3.903 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.958 -2.498 5.777 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.047 -1.096 6.301 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.801 -1.033 4.942 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.477 -0.666 6.625 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.667 1.001 5.200 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.139 0.416 5.256 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.538 2.072 4.787 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.204 3.102 4.615 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.897 3.572 4.430 1.00 0.00 H new ATOM 962 N ALA A 56 -5.493 -2.386 1.319 1.00 0.00 N ATOM 963 CA ALA A 56 -4.979 -2.187 -0.053 1.00 0.00 C ATOM 964 C ALA A 56 -6.055 -2.659 -1.032 1.00 0.00 C ATOM 965 O ALA A 56 -6.086 -2.261 -2.181 1.00 0.00 O ATOM 966 CB ALA A 56 -3.707 -3.041 -0.124 1.00 0.00 C ATOM 0 H ALA A 56 -4.971 -3.051 1.890 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.749 -1.151 -0.303 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.262 -2.949 -1.115 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.996 -2.697 0.627 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.958 -4.085 0.065 1.00 0.00 H new ATOM 972 N ARG A 57 -6.970 -3.484 -0.571 1.00 0.00 N ATOM 973 CA ARG A 57 -8.057 -3.945 -1.461 1.00 0.00 C ATOM 974 C ARG A 57 -9.245 -2.977 -1.369 1.00 0.00 C ATOM 975 O ARG A 57 -10.055 -2.885 -2.270 1.00 0.00 O ATOM 976 CB ARG A 57 -8.448 -5.334 -0.958 1.00 0.00 C ATOM 977 CG ARG A 57 -9.584 -5.883 -1.823 1.00 0.00 C ATOM 978 CD ARG A 57 -9.423 -7.397 -1.983 1.00 0.00 C ATOM 979 NE ARG A 57 -9.532 -7.944 -0.599 1.00 0.00 N ATOM 980 CZ ARG A 57 -10.686 -7.974 0.025 1.00 0.00 C ATOM 981 NH1 ARG A 57 -11.778 -7.540 -0.555 1.00 0.00 N ATOM 982 NH2 ARG A 57 -10.746 -8.449 1.239 1.00 0.00 N ATOM 0 H ARG A 57 -7.001 -3.850 0.381 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.747 -3.980 -2.505 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.589 -6.003 -0.998 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.762 -5.281 0.084 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.546 -5.656 -1.364 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.576 -5.401 -2.801 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.195 -7.810 -2.633 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.462 -7.647 -2.432 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.698 -8.299 -0.132 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.739 -7.172 -1.505 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.667 -7.570 -0.056 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.901 -8.793 1.695 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.638 -8.477 1.732 1.00 0.00 H new ATOM 996 N TYR A 58 -9.333 -2.233 -0.295 1.00 0.00 N ATOM 997 CA TYR A 58 -10.436 -1.245 -0.144 1.00 0.00 C ATOM 998 C TYR A 58 -10.273 -0.217 -1.242 1.00 0.00 C ATOM 999 O TYR A 58 -11.195 0.170 -1.933 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.183 -0.609 1.232 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.787 0.784 1.330 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.010 1.065 0.712 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.118 1.794 2.043 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.568 2.344 0.803 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.678 3.074 2.132 1.00 0.00 C ATOM 1006 CZ TYR A 58 -11.903 3.348 1.513 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.455 4.609 1.602 1.00 0.00 O ATOM 0 H TYR A 58 -8.681 -2.271 0.488 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.438 -1.670 -0.211 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.607 -1.244 2.010 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.110 -0.554 1.415 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.525 0.291 0.162 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.173 1.583 2.522 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.513 2.556 0.325 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.164 3.851 2.679 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.866 5.187 2.131 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.075 0.227 -1.366 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.745 1.246 -2.375 1.00 0.00 C ATOM 1019 C TRP A 59 -8.904 0.667 -3.763 1.00 0.00 C ATOM 1020 O TRP A 59 -9.663 1.162 -4.571 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.315 1.627 -2.038 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.403 2.337 -0.741 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.924 1.917 0.450 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.088 3.576 -0.498 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.252 2.863 1.411 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -7.973 3.909 0.865 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.777 4.438 -1.349 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.538 5.079 1.374 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.351 5.613 -0.851 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.231 5.936 0.509 1.00 0.00 C ATOM 0 H TRP A 59 -8.287 -0.080 -0.796 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.395 2.121 -2.364 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.679 0.745 -1.963 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.885 2.266 -2.809 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.379 1.001 0.625 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.994 2.795 2.395 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.868 4.198 -2.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.442 5.321 2.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.888 6.273 -1.516 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.673 6.845 0.889 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.245 -0.413 -4.036 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.423 -1.054 -5.365 1.00 0.00 C ATOM 1043 C LEU A 60 -9.921 -1.313 -5.579 1.00 0.00 C ATOM 1044 O LEU A 60 -10.395 -1.423 -6.692 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.652 -2.373 -5.287 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.181 -2.131 -5.631 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.294 -2.905 -4.654 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -5.906 -2.615 -7.057 1.00 0.00 C ATOM 0 H LEU A 60 -7.594 -0.881 -3.405 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.063 -0.440 -6.190 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.737 -2.796 -4.286 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.082 -3.098 -5.977 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.961 -1.066 -5.557 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.246 -2.733 -4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.490 -2.565 -3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.514 -3.970 -4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.858 -2.443 -7.304 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.126 -3.680 -7.128 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.538 -2.067 -7.756 1.00 0.00 H new ATOM 1060 N SER A 61 -10.672 -1.393 -4.502 1.00 0.00 N ATOM 1061 CA SER A 61 -12.135 -1.627 -4.627 1.00 0.00 C ATOM 1062 C SER A 61 -12.864 -0.310 -4.929 1.00 0.00 C ATOM 1063 O SER A 61 -13.979 -0.313 -5.411 1.00 0.00 O ATOM 1064 CB SER A 61 -12.567 -2.191 -3.272 1.00 0.00 C ATOM 1065 OG SER A 61 -13.923 -1.840 -3.023 1.00 0.00 O ATOM 0 H SER A 61 -10.328 -1.305 -3.546 1.00 0.00 H new ATOM 0 HA SER A 61 -12.374 -2.309 -5.443 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.453 -3.275 -3.264 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.927 -1.798 -2.482 1.00 0.00 H new ATOM 0 HG SER A 61 -14.201 -2.202 -2.156 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.251 0.818 -4.662 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.929 2.106 -4.952 1.00 0.00 C ATOM 1073 C VAL A 62 -12.415 2.660 -6.282 1.00 0.00 C ATOM 1074 O VAL A 62 -12.319 3.855 -6.483 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.589 3.054 -3.781 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -12.766 2.337 -2.438 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.144 3.562 -3.887 1.00 0.00 C ATOM 0 H VAL A 62 -11.317 0.896 -4.259 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.009 1.991 -5.042 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.272 3.901 -3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.522 3.021 -1.625 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.800 2.006 -2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.103 1.473 -2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.930 4.227 -3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.458 2.715 -3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.017 4.104 -4.824 1.00 0.00 H new ATOM 1087 N GLY A 63 -12.083 1.784 -7.184 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.567 2.226 -8.510 1.00 0.00 C ATOM 1089 C GLY A 63 -10.182 2.854 -8.339 1.00 0.00 C ATOM 1090 O GLY A 63 -9.779 3.705 -9.106 1.00 0.00 O ATOM 0 H GLY A 63 -12.147 0.773 -7.061 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.511 1.377 -9.191 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.252 2.947 -8.956 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.446 2.444 -7.338 1.00 0.00 N ATOM 1095 CA ALA A 64 -8.092 3.024 -7.127 1.00 0.00 C ATOM 1096 C ALA A 64 -7.129 2.536 -8.215 1.00 0.00 C ATOM 1097 O ALA A 64 -7.227 1.420 -8.686 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.653 2.518 -5.755 1.00 0.00 C ATOM 0 H ALA A 64 -9.726 1.734 -6.661 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.098 4.113 -7.176 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.660 2.904 -5.526 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.359 2.860 -4.998 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.627 1.428 -5.760 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.199 3.361 -8.615 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.233 2.937 -9.670 1.00 0.00 C ATOM 1106 C GLN A 65 -3.818 2.823 -9.083 1.00 0.00 C ATOM 1107 O GLN A 65 -3.206 3.821 -8.755 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.284 4.041 -10.725 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.992 3.518 -11.975 1.00 0.00 C ATOM 1110 CD GLN A 65 -5.177 2.374 -12.582 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -5.532 1.221 -12.448 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -4.090 2.649 -13.249 1.00 0.00 N ATOM 0 H GLN A 65 -6.066 4.307 -8.258 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.484 1.962 -10.087 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.811 4.910 -10.332 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.274 4.367 -10.975 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.993 3.170 -11.720 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.109 4.321 -12.702 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.792 3.618 -13.361 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.538 1.895 -13.658 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.341 1.608 -8.964 1.00 0.00 N ATOM 1122 CA PRO A 66 -1.990 1.375 -8.412 1.00 0.00 C ATOM 1123 C PRO A 66 -0.933 1.461 -9.518 1.00 0.00 C ATOM 1124 O PRO A 66 -1.042 0.812 -10.540 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.079 -0.045 -7.868 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.163 -0.719 -8.659 1.00 0.00 C ATOM 1127 CD PRO A 66 -4.003 0.347 -9.317 1.00 0.00 C ATOM 0 HA PRO A 66 -1.701 2.108 -7.659 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.129 -0.568 -7.982 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.316 -0.042 -6.804 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.730 -1.379 -9.411 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.779 -1.339 -8.007 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.044 0.209 -10.397 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.030 0.323 -8.954 1.00 0.00 H new ATOM 1135 N THR A 67 0.091 2.247 -9.321 1.00 0.00 N ATOM 1136 CA THR A 67 1.151 2.354 -10.367 1.00 0.00 C ATOM 1137 C THR A 67 1.692 0.959 -10.703 1.00 0.00 C ATOM 1138 O THR A 67 1.441 0.002 -9.999 1.00 0.00 O ATOM 1139 CB THR A 67 2.247 3.243 -9.761 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.389 3.222 -10.605 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.633 2.731 -8.374 1.00 0.00 C ATOM 0 H THR A 67 0.240 2.816 -8.488 1.00 0.00 H new ATOM 0 HA THR A 67 0.773 2.781 -11.296 1.00 0.00 H new ATOM 0 HB THR A 67 1.871 4.262 -9.672 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.090 3.790 -10.222 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.411 3.369 -7.954 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.759 2.749 -7.723 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.005 1.710 -8.454 1.00 0.00 H new ATOM 1149 N ASP A 68 2.416 0.832 -11.784 1.00 0.00 N ATOM 1150 CA ASP A 68 2.953 -0.508 -12.171 1.00 0.00 C ATOM 1151 C ASP A 68 3.849 -1.085 -11.070 1.00 0.00 C ATOM 1152 O ASP A 68 4.125 -2.268 -11.041 1.00 0.00 O ATOM 1153 CB ASP A 68 3.763 -0.256 -13.445 1.00 0.00 C ATOM 1154 CG ASP A 68 3.786 -1.528 -14.296 1.00 0.00 C ATOM 1155 OD1 ASP A 68 2.800 -1.786 -14.966 1.00 0.00 O ATOM 1156 OD2 ASP A 68 4.789 -2.223 -14.261 1.00 0.00 O ATOM 0 H ASP A 68 2.659 1.596 -12.415 1.00 0.00 H new ATOM 0 HA ASP A 68 2.154 -1.233 -12.325 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.324 0.565 -14.011 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.780 0.041 -13.189 1.00 0.00 H new ATOM 1161 N THR A 69 4.306 -0.266 -10.167 1.00 0.00 N ATOM 1162 CA THR A 69 5.184 -0.776 -9.073 1.00 0.00 C ATOM 1163 C THR A 69 4.346 -1.202 -7.870 1.00 0.00 C ATOM 1164 O THR A 69 4.455 -2.307 -7.378 1.00 0.00 O ATOM 1165 CB THR A 69 6.054 0.407 -8.701 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.752 0.867 -9.850 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.051 -0.001 -7.616 1.00 0.00 C ATOM 0 H THR A 69 4.111 0.735 -10.137 1.00 0.00 H new ATOM 0 HA THR A 69 5.764 -1.645 -9.383 1.00 0.00 H new ATOM 0 HB THR A 69 5.423 1.210 -8.319 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.313 1.633 -9.607 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.673 0.855 -7.353 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.509 -0.340 -6.733 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.682 -0.809 -7.987 1.00 0.00 H new ATOM 1175 N ALA A 70 3.503 -0.327 -7.401 1.00 0.00 N ATOM 1176 CA ALA A 70 2.644 -0.660 -6.241 1.00 0.00 C ATOM 1177 C ALA A 70 1.633 -1.701 -6.677 1.00 0.00 C ATOM 1178 O ALA A 70 1.196 -2.530 -5.904 1.00 0.00 O ATOM 1179 CB ALA A 70 1.948 0.650 -5.872 1.00 0.00 C ATOM 0 H ALA A 70 3.374 0.612 -7.778 1.00 0.00 H new ATOM 0 HA ALA A 70 3.198 -1.063 -5.394 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.291 0.485 -5.018 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.696 1.400 -5.615 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.359 1.001 -6.720 1.00 0.00 H new ATOM 1185 N ARG A 71 1.285 -1.685 -7.930 1.00 0.00 N ATOM 1186 CA ARG A 71 0.339 -2.688 -8.430 1.00 0.00 C ATOM 1187 C ARG A 71 1.049 -4.029 -8.388 1.00 0.00 C ATOM 1188 O ARG A 71 0.484 -5.039 -8.023 1.00 0.00 O ATOM 1189 CB ARG A 71 0.020 -2.268 -9.868 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.780 -3.370 -10.566 1.00 0.00 C ATOM 1191 CD ARG A 71 -0.123 -3.705 -11.908 1.00 0.00 C ATOM 1192 NE ARG A 71 -0.367 -5.165 -12.106 1.00 0.00 N ATOM 1193 CZ ARG A 71 -0.067 -5.747 -13.243 1.00 0.00 C ATOM 1194 NH1 ARG A 71 0.471 -5.068 -14.228 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -0.303 -7.022 -13.395 1.00 0.00 N ATOM 0 H ARG A 71 1.621 -1.016 -8.623 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.581 -2.764 -7.850 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.549 -1.338 -9.867 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.944 -2.076 -10.414 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.821 -4.259 -9.937 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.808 -3.044 -10.723 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.558 -3.119 -12.717 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.944 -3.482 -11.891 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.771 -5.716 -11.349 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.662 -4.072 -14.116 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.698 -5.536 -15.106 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.718 -7.558 -12.633 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.073 -7.482 -14.276 1.00 0.00 H new ATOM 1209 N ARG A 72 2.310 -4.031 -8.728 1.00 0.00 N ATOM 1210 CA ARG A 72 3.076 -5.287 -8.686 1.00 0.00 C ATOM 1211 C ARG A 72 3.194 -5.727 -7.221 1.00 0.00 C ATOM 1212 O ARG A 72 3.079 -6.893 -6.898 1.00 0.00 O ATOM 1213 CB ARG A 72 4.429 -4.922 -9.335 1.00 0.00 C ATOM 1214 CG ARG A 72 5.581 -5.687 -8.686 1.00 0.00 C ATOM 1215 CD ARG A 72 6.648 -5.999 -9.739 1.00 0.00 C ATOM 1216 NE ARG A 72 7.064 -4.667 -10.271 1.00 0.00 N ATOM 1217 CZ ARG A 72 8.151 -4.540 -10.995 1.00 0.00 C ATOM 1218 NH1 ARG A 72 8.894 -5.579 -11.283 1.00 0.00 N ATOM 1219 NH2 ARG A 72 8.495 -3.361 -11.436 1.00 0.00 N ATOM 0 H ARG A 72 2.834 -3.210 -9.032 1.00 0.00 H new ATOM 0 HA ARG A 72 2.624 -6.126 -9.215 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.396 -5.147 -10.401 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.603 -3.850 -9.240 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.014 -5.096 -7.879 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.212 -6.612 -8.242 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.493 -6.530 -9.300 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.249 -6.633 -10.530 1.00 0.00 H new ATOM 0 HE ARG A 72 6.495 -3.845 -10.069 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.631 -6.504 -10.943 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.736 -5.463 -11.847 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.920 -2.547 -11.217 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.338 -3.253 -11.999 1.00 0.00 H new ATOM 1233 N LEU A 73 3.400 -4.793 -6.334 1.00 0.00 N ATOM 1234 CA LEU A 73 3.498 -5.141 -4.899 1.00 0.00 C ATOM 1235 C LEU A 73 2.112 -5.477 -4.368 1.00 0.00 C ATOM 1236 O LEU A 73 1.963 -6.262 -3.453 1.00 0.00 O ATOM 1237 CB LEU A 73 4.066 -3.899 -4.214 1.00 0.00 C ATOM 1238 CG LEU A 73 5.420 -3.558 -4.834 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.794 -2.115 -4.486 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.486 -4.508 -4.283 1.00 0.00 C ATOM 0 H LEU A 73 3.504 -3.801 -6.548 1.00 0.00 H new ATOM 0 HA LEU A 73 4.133 -6.009 -4.718 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.379 -3.060 -4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.177 -4.078 -3.144 1.00 0.00 H new ATOM 0 HG LEU A 73 5.361 -3.666 -5.917 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.760 -1.873 -4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.035 -1.438 -4.878 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.853 -2.006 -3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.453 -4.266 -4.725 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.545 -4.400 -3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.221 -5.536 -4.531 1.00 0.00 H new ATOM 1252 N LEU A 74 1.086 -4.925 -4.958 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.281 -5.263 -4.502 1.00 0.00 C ATOM 1254 C LEU A 74 -0.551 -6.709 -4.903 1.00 0.00 C ATOM 1255 O LEU A 74 -1.290 -7.426 -4.260 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.205 -4.297 -5.236 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.207 -2.955 -4.505 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -1.767 -1.875 -5.426 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -2.080 -3.058 -3.253 1.00 0.00 C ATOM 0 H LEU A 74 1.140 -4.260 -5.730 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.425 -5.174 -3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.870 -4.164 -6.265 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.216 -4.703 -5.280 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.188 -2.696 -4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.769 -0.918 -4.905 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.147 -1.801 -6.319 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.786 -2.134 -5.713 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.082 -2.101 -2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.099 -3.317 -3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.682 -3.830 -2.594 1.00 0.00 H new ATOM 1271 N ARG A 75 0.090 -7.145 -5.953 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.063 -8.543 -6.406 1.00 0.00 C ATOM 1273 C ARG A 75 0.836 -9.429 -5.546 1.00 0.00 C ATOM 1274 O ARG A 75 0.595 -10.607 -5.374 1.00 0.00 O ATOM 1275 CB ARG A 75 0.424 -8.533 -7.855 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.502 -9.388 -8.717 1.00 0.00 C ATOM 1277 CD ARG A 75 0.271 -10.590 -9.262 1.00 0.00 C ATOM 1278 NE ARG A 75 -0.708 -11.333 -10.109 1.00 0.00 N ATOM 1279 CZ ARG A 75 -0.997 -10.921 -11.321 1.00 0.00 C ATOM 1280 NH1 ARG A 75 -0.464 -9.827 -11.807 1.00 0.00 N ATOM 1281 NH2 ARG A 75 -1.832 -11.609 -12.051 1.00 0.00 N ATOM 0 H ARG A 75 0.721 -6.578 -6.520 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.083 -8.919 -6.327 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.448 -7.511 -8.233 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.443 -8.916 -7.909 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.354 -9.727 -8.128 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.900 -8.795 -9.540 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.135 -10.271 -9.846 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.647 -11.216 -8.453 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.158 -12.171 -9.741 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.186 -9.282 -11.241 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.699 -9.521 -12.751 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.254 -12.459 -11.678 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.062 -11.296 -12.994 1.00 0.00 H new ATOM 1295 N GLN A 76 1.883 -8.855 -5.011 1.00 0.00 N ATOM 1296 CA GLN A 76 2.819 -9.625 -4.171 1.00 0.00 C ATOM 1297 C GLN A 76 2.314 -9.707 -2.744 1.00 0.00 C ATOM 1298 O GLN A 76 2.453 -10.709 -2.073 1.00 0.00 O ATOM 1299 CB GLN A 76 4.110 -8.827 -4.255 1.00 0.00 C ATOM 1300 CG GLN A 76 5.294 -9.714 -3.886 1.00 0.00 C ATOM 1301 CD GLN A 76 5.473 -10.777 -4.969 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.602 -11.948 -4.675 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.487 -10.411 -6.221 1.00 0.00 N ATOM 0 H GLN A 76 2.123 -7.871 -5.128 1.00 0.00 H new ATOM 0 HA GLN A 76 2.942 -10.657 -4.500 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.240 -8.434 -5.263 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.063 -7.971 -3.582 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.200 -9.114 -3.793 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.124 -10.186 -2.919 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.378 -9.427 -6.466 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.606 -11.109 -6.955 1.00 0.00 H new ATOM 1312 N ALA A 77 1.716 -8.662 -2.286 1.00 0.00 N ATOM 1313 CA ALA A 77 1.174 -8.663 -0.906 1.00 0.00 C ATOM 1314 C ALA A 77 -0.027 -9.617 -0.806 1.00 0.00 C ATOM 1315 O ALA A 77 -0.551 -9.855 0.264 1.00 0.00 O ATOM 1316 CB ALA A 77 0.740 -7.222 -0.648 1.00 0.00 C ATOM 0 H ALA A 77 1.575 -7.797 -2.807 1.00 0.00 H new ATOM 0 HA ALA A 77 1.908 -9.003 -0.175 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.326 -7.141 0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.601 -6.561 -0.740 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.018 -6.934 -1.377 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.473 -10.161 -1.913 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.639 -11.089 -1.872 1.00 0.00 C ATOM 1324 C GLY A 78 -2.933 -10.274 -1.854 1.00 0.00 C ATOM 1325 O GLY A 78 -3.844 -10.555 -1.100 1.00 0.00 O ATOM 0 H GLY A 78 -0.079 -10.001 -2.840 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.624 -11.749 -2.739 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.583 -11.723 -0.987 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.020 -9.257 -2.670 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.248 -8.420 -2.688 1.00 0.00 C ATOM 1331 C VAL A 79 -5.221 -8.888 -3.773 1.00 0.00 C ATOM 1332 O VAL A 79 -6.368 -9.183 -3.503 1.00 0.00 O ATOM 1333 CB VAL A 79 -3.773 -7.002 -2.980 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -4.946 -6.030 -2.845 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -2.671 -6.607 -1.991 1.00 0.00 C ATOM 0 H VAL A 79 -2.291 -8.972 -3.324 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.784 -8.486 -1.741 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.378 -6.961 -3.995 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.604 -5.016 -3.054 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.728 -6.303 -3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.343 -6.077 -1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.336 -5.592 -2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.061 -6.653 -0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.831 -7.295 -2.089 1.00 0.00 H new