USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 467 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0.205 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+ 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= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 76 GLN : amide:sc= -0.869 X(o=-0.87,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.893 8.084 -6.799 1.00 0.00 N ATOM 21 CA VAL A 2 -7.862 7.658 -5.809 1.00 0.00 C ATOM 22 C VAL A 2 -6.786 6.811 -6.497 1.00 0.00 C ATOM 23 O VAL A 2 -7.069 6.044 -7.395 1.00 0.00 O ATOM 24 CB VAL A 2 -8.621 6.823 -4.780 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.665 6.391 -3.667 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.755 7.657 -4.179 1.00 0.00 C ATOM 0 HA VAL A 2 -7.355 8.507 -5.351 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.037 5.941 -5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.207 5.795 -2.933 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.857 5.796 -4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.249 7.274 -3.182 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.296 7.060 -3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.339 8.540 -3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.438 7.966 -4.970 1.00 0.00 H new ATOM 36 N LYS A 3 -5.556 6.945 -6.082 1.00 0.00 N ATOM 37 CA LYS A 3 -4.467 6.143 -6.715 1.00 0.00 C ATOM 38 C LYS A 3 -3.475 5.657 -5.658 1.00 0.00 C ATOM 39 O LYS A 3 -2.998 6.420 -4.842 1.00 0.00 O ATOM 40 CB LYS A 3 -3.782 7.103 -7.688 1.00 0.00 C ATOM 41 CG LYS A 3 -4.197 6.758 -9.119 1.00 0.00 C ATOM 42 CD LYS A 3 -4.616 8.033 -9.853 1.00 0.00 C ATOM 43 CE LYS A 3 -6.071 7.906 -10.311 1.00 0.00 C ATOM 44 NZ LYS A 3 -6.336 9.149 -11.089 1.00 0.00 N ATOM 0 H LYS A 3 -5.257 7.572 -5.335 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.852 5.255 -7.217 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.058 8.132 -7.456 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.699 7.032 -7.584 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.370 6.280 -9.643 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.022 6.045 -9.108 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.505 8.896 -9.197 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.967 8.200 -10.712 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.216 7.017 -10.925 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.747 7.820 -9.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.316 9.138 -11.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.196 9.978 -10.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.682 9.200 -11.896 1.00 0.00 H new ATOM 58 N ILE A 4 -3.149 4.392 -5.671 1.00 0.00 N ATOM 59 CA ILE A 4 -2.179 3.869 -4.676 1.00 0.00 C ATOM 60 C ILE A 4 -0.812 3.684 -5.334 1.00 0.00 C ATOM 61 O ILE A 4 -0.701 3.172 -6.427 1.00 0.00 O ATOM 62 CB ILE A 4 -2.748 2.538 -4.201 1.00 0.00 C ATOM 63 CG1 ILE A 4 -4.023 2.795 -3.404 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.728 1.824 -3.307 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.665 1.460 -3.037 1.00 0.00 C ATOM 0 H ILE A 4 -3.514 3.702 -6.328 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.038 4.552 -3.838 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.969 1.911 -5.065 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.794 3.362 -2.502 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.717 3.397 -3.990 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.141 0.873 -2.971 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.813 1.643 -3.871 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.503 2.448 -2.442 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.577 1.639 -2.467 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.908 0.911 -3.947 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.970 0.875 -2.435 1.00 0.00 H new ATOM 77 N ARG A 5 0.232 4.097 -4.678 1.00 0.00 N ATOM 78 CA ARG A 5 1.583 3.942 -5.267 1.00 0.00 C ATOM 79 C ARG A 5 2.622 3.810 -4.158 1.00 0.00 C ATOM 80 O ARG A 5 2.306 3.905 -2.989 1.00 0.00 O ATOM 81 CB ARG A 5 1.818 5.214 -6.088 1.00 0.00 C ATOM 82 CG ARG A 5 1.895 6.428 -5.156 1.00 0.00 C ATOM 83 CD ARG A 5 0.994 7.542 -5.692 1.00 0.00 C ATOM 84 NE ARG A 5 1.829 8.264 -6.695 1.00 0.00 N ATOM 85 CZ ARG A 5 2.778 9.089 -6.312 1.00 0.00 C ATOM 86 NH1 ARG A 5 3.026 9.288 -5.041 1.00 0.00 N ATOM 87 NH2 ARG A 5 3.486 9.717 -7.212 1.00 0.00 N ATOM 0 H ARG A 5 0.206 4.536 -3.758 1.00 0.00 H new ATOM 0 HA ARG A 5 1.664 3.049 -5.887 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.742 5.123 -6.659 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.010 5.347 -6.808 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.584 6.147 -4.150 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.924 6.781 -5.085 1.00 0.00 H new ATOM 0 HD2 ARG A 5 0.092 7.135 -6.149 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.673 8.209 -4.892 1.00 0.00 H new ATOM 0 HE ARG A 5 1.662 8.116 -7.690 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.479 8.799 -4.332 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.766 9.932 -4.760 1.00 0.00 H new ATOM 0 HH21 ARG A 5 3.301 9.566 -8.204 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.224 10.359 -6.923 1.00 0.00 H new ATOM 101 N LEU A 6 3.863 3.623 -4.508 1.00 0.00 N ATOM 102 CA LEU A 6 4.906 3.520 -3.455 1.00 0.00 C ATOM 103 C LEU A 6 5.441 4.921 -3.143 1.00 0.00 C ATOM 104 O LEU A 6 5.775 5.683 -4.028 1.00 0.00 O ATOM 105 CB LEU A 6 6.003 2.608 -4.022 1.00 0.00 C ATOM 106 CG LEU A 6 6.672 3.261 -5.231 1.00 0.00 C ATOM 107 CD1 LEU A 6 7.829 4.145 -4.762 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.215 2.171 -6.158 1.00 0.00 C ATOM 0 H LEU A 6 4.197 3.538 -5.468 1.00 0.00 H new ATOM 0 HA LEU A 6 4.521 3.105 -2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.748 2.404 -3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.573 1.649 -4.311 1.00 0.00 H new ATOM 0 HG LEU A 6 5.942 3.870 -5.764 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.305 4.610 -5.625 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.448 4.920 -4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.559 3.536 -4.229 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.693 2.633 -7.022 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.945 1.566 -5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.395 1.537 -6.493 1.00 0.00 H new ATOM 120 N ALA A 7 5.500 5.270 -1.888 1.00 0.00 N ATOM 121 CA ALA A 7 5.985 6.620 -1.498 1.00 0.00 C ATOM 122 C ALA A 7 7.449 6.525 -1.078 1.00 0.00 C ATOM 123 O ALA A 7 7.954 5.450 -0.873 1.00 0.00 O ATOM 124 CB ALA A 7 5.105 6.993 -0.309 1.00 0.00 C ATOM 0 H ALA A 7 5.230 4.670 -1.109 1.00 0.00 H new ATOM 0 HA ALA A 7 5.928 7.355 -2.301 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.386 7.981 0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.060 7.004 -0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.240 6.261 0.487 1.00 0.00 H new ATOM 130 N ARG A 8 8.143 7.625 -0.968 1.00 0.00 N ATOM 131 CA ARG A 8 9.577 7.547 -0.583 1.00 0.00 C ATOM 132 C ARG A 8 9.897 8.470 0.597 1.00 0.00 C ATOM 133 O ARG A 8 9.786 9.677 0.508 1.00 0.00 O ATOM 134 CB ARG A 8 10.339 7.983 -1.837 1.00 0.00 C ATOM 135 CG ARG A 8 11.835 8.074 -1.530 1.00 0.00 C ATOM 136 CD ARG A 8 12.271 9.541 -1.548 1.00 0.00 C ATOM 137 NE ARG A 8 13.566 9.567 -0.811 1.00 0.00 N ATOM 138 CZ ARG A 8 14.055 10.696 -0.351 1.00 0.00 C ATOM 139 NH1 ARG A 8 13.417 11.827 -0.521 1.00 0.00 N ATOM 140 NH2 ARG A 8 15.195 10.689 0.285 1.00 0.00 N ATOM 0 H ARG A 8 7.781 8.565 -1.127 1.00 0.00 H new ATOM 0 HA ARG A 8 9.852 6.545 -0.255 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.167 7.271 -2.644 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.970 8.949 -2.180 1.00 0.00 H new ATOM 0 HG2 ARG A 8 12.045 7.633 -0.555 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.403 7.505 -2.266 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.390 9.905 -2.569 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.530 10.179 -1.067 1.00 0.00 H new ATOM 0 HE ARG A 8 14.079 8.698 -0.662 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.526 11.840 -1.017 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.811 12.695 -0.157 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.698 9.812 0.421 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.583 11.561 0.646 1.00 0.00 H new ATOM 276 N TYR A 17 9.757 2.660 1.335 1.00 0.00 N ATOM 277 CA TYR A 17 8.628 3.361 0.684 1.00 0.00 C ATOM 278 C TYR A 17 7.321 2.823 1.254 1.00 0.00 C ATOM 279 O TYR A 17 7.309 1.802 1.906 1.00 0.00 O ATOM 280 CB TYR A 17 8.708 2.949 -0.782 1.00 0.00 C ATOM 281 CG TYR A 17 9.956 3.465 -1.469 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.802 4.395 -0.850 1.00 0.00 C ATOM 283 CD2 TYR A 17 10.257 3.000 -2.756 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.943 4.855 -1.515 1.00 0.00 C ATOM 285 CE2 TYR A 17 11.396 3.459 -3.420 1.00 0.00 C ATOM 286 CZ TYR A 17 12.242 4.387 -2.802 1.00 0.00 C ATOM 287 OH TYR A 17 13.366 4.843 -3.460 1.00 0.00 O ATOM 0 HA TYR A 17 8.670 4.440 0.829 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.684 1.861 -0.851 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.829 3.321 -1.308 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.573 4.757 0.141 1.00 0.00 H new ATOM 0 HD2 TYR A 17 9.606 2.284 -3.236 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.594 5.571 -1.037 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.625 3.098 -4.412 1.00 0.00 H new ATOM 0 HH TYR A 17 13.425 4.417 -4.341 1.00 0.00 H new ATOM 297 N ARG A 18 6.216 3.468 0.996 1.00 0.00 N ATOM 298 CA ARG A 18 4.931 2.928 1.506 1.00 0.00 C ATOM 299 C ARG A 18 3.949 2.826 0.348 1.00 0.00 C ATOM 300 O ARG A 18 3.972 3.627 -0.559 1.00 0.00 O ATOM 301 CB ARG A 18 4.431 3.924 2.555 1.00 0.00 C ATOM 302 CG ARG A 18 3.816 3.174 3.737 1.00 0.00 C ATOM 303 CD ARG A 18 2.340 3.550 3.872 1.00 0.00 C ATOM 304 NE ARG A 18 2.347 4.836 4.627 1.00 0.00 N ATOM 305 CZ ARG A 18 2.695 4.871 5.891 1.00 0.00 C ATOM 306 NH1 ARG A 18 3.024 3.777 6.531 1.00 0.00 N ATOM 307 NH2 ARG A 18 2.710 6.014 6.521 1.00 0.00 N ATOM 0 H ARG A 18 6.150 4.334 0.461 1.00 0.00 H new ATOM 0 HA ARG A 18 5.042 1.936 1.945 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.256 4.547 2.899 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.691 4.591 2.112 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.916 2.099 3.590 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.350 3.421 4.655 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.870 3.666 2.896 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.782 2.780 4.405 1.00 0.00 H new ATOM 0 HE ARG A 18 2.078 5.699 4.155 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.012 2.880 6.046 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.292 3.822 7.514 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.452 6.870 6.030 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.979 6.051 7.504 1.00 0.00 H new ATOM 321 N ILE A 19 3.059 1.882 0.386 1.00 0.00 N ATOM 322 CA ILE A 19 2.063 1.781 -0.703 1.00 0.00 C ATOM 323 C ILE A 19 0.858 2.494 -0.137 1.00 0.00 C ATOM 324 O ILE A 19 -0.023 1.922 0.472 1.00 0.00 O ATOM 325 CB ILE A 19 1.799 0.289 -0.964 1.00 0.00 C ATOM 326 CG1 ILE A 19 2.957 -0.596 -0.488 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.664 0.060 -2.462 1.00 0.00 C ATOM 328 CD1 ILE A 19 4.252 -0.103 -1.130 1.00 0.00 C ATOM 0 H ILE A 19 2.979 1.179 1.121 1.00 0.00 H new ATOM 0 HA ILE A 19 2.363 2.216 -1.656 1.00 0.00 H new ATOM 0 HB ILE A 19 0.893 0.027 -0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.037 -0.560 0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.773 -1.636 -0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.477 -0.997 -2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.833 0.651 -2.847 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.585 0.361 -2.961 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.083 -0.726 -0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.165 -0.162 -2.215 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.433 0.931 -0.836 1.00 0.00 H new ATOM 340 N VAL A 20 0.922 3.783 -0.241 1.00 0.00 N ATOM 341 CA VAL A 20 -0.085 4.666 0.374 1.00 0.00 C ATOM 342 C VAL A 20 -1.148 5.116 -0.644 1.00 0.00 C ATOM 343 O VAL A 20 -0.965 5.013 -1.841 1.00 0.00 O ATOM 344 CB VAL A 20 0.820 5.809 0.895 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.711 7.070 0.039 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.479 6.129 2.343 1.00 0.00 C ATOM 0 H VAL A 20 1.659 4.275 -0.746 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.693 4.211 1.156 1.00 0.00 H new ATOM 0 HB VAL A 20 1.851 5.461 0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.364 7.843 0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.010 6.842 -0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.319 7.426 0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.122 6.934 2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.564 6.440 2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.634 5.242 2.958 1.00 0.00 H new ATOM 356 N VAL A 21 -2.272 5.582 -0.161 1.00 0.00 N ATOM 357 CA VAL A 21 -3.375 6.002 -1.072 1.00 0.00 C ATOM 358 C VAL A 21 -3.513 7.524 -1.082 1.00 0.00 C ATOM 359 O VAL A 21 -3.997 8.118 -0.140 1.00 0.00 O ATOM 360 CB VAL A 21 -4.665 5.370 -0.505 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.505 4.824 -1.653 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.356 4.221 0.450 1.00 0.00 C ATOM 0 H VAL A 21 -2.472 5.689 0.833 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.179 5.681 -2.095 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.202 6.145 0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.417 4.377 -1.256 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.765 5.636 -2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.935 4.068 -2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.288 3.802 0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.799 3.448 -0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.760 4.591 1.284 1.00 0.00 H new ATOM 372 N THR A 22 -3.107 8.159 -2.142 1.00 0.00 N ATOM 373 CA THR A 22 -3.231 9.643 -2.209 1.00 0.00 C ATOM 374 C THR A 22 -3.824 10.058 -3.556 1.00 0.00 C ATOM 375 O THR A 22 -4.294 9.237 -4.317 1.00 0.00 O ATOM 376 CB THR A 22 -1.805 10.187 -2.052 1.00 0.00 C ATOM 377 OG1 THR A 22 -1.796 11.577 -2.347 1.00 0.00 O ATOM 378 CG2 THR A 22 -0.856 9.460 -3.005 1.00 0.00 C ATOM 0 H THR A 22 -2.695 7.718 -2.965 1.00 0.00 H new ATOM 0 HA THR A 22 -3.891 10.033 -1.434 1.00 0.00 H new ATOM 0 HB THR A 22 -1.473 10.024 -1.027 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.886 11.927 -2.246 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.153 9.854 -2.885 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.858 8.394 -2.778 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.185 9.613 -4.033 1.00 0.00 H new ATOM 543 N TYR A 32 -1.421 11.455 1.820 1.00 0.00 N ATOM 544 CA TYR A 32 -2.370 10.418 1.317 1.00 0.00 C ATOM 545 C TYR A 32 -3.585 10.317 2.240 1.00 0.00 C ATOM 546 O TYR A 32 -3.627 10.911 3.300 1.00 0.00 O ATOM 547 CB TYR A 32 -1.585 9.098 1.328 1.00 0.00 C ATOM 548 CG TYR A 32 -0.887 8.923 2.661 1.00 0.00 C ATOM 549 CD1 TYR A 32 0.398 9.444 2.852 1.00 0.00 C ATOM 550 CD2 TYR A 32 -1.528 8.245 3.703 1.00 0.00 C ATOM 551 CE1 TYR A 32 1.042 9.285 4.085 1.00 0.00 C ATOM 552 CE2 TYR A 32 -0.886 8.088 4.937 1.00 0.00 C ATOM 553 CZ TYR A 32 0.400 8.608 5.128 1.00 0.00 C ATOM 554 OH TYR A 32 1.034 8.452 6.344 1.00 0.00 O ATOM 0 HA TYR A 32 -2.740 10.661 0.321 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.261 8.262 1.149 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.852 9.094 0.521 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.893 9.969 2.048 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.519 7.842 3.555 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.035 9.685 4.231 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -1.382 7.566 5.742 1.00 0.00 H new ATOM 0 HH TYR A 32 0.449 7.960 6.957 1.00 0.00 H new ATOM 564 N ILE A 33 -4.573 9.565 1.843 1.00 0.00 N ATOM 565 CA ILE A 33 -5.787 9.415 2.692 1.00 0.00 C ATOM 566 C ILE A 33 -5.509 8.430 3.830 1.00 0.00 C ATOM 567 O ILE A 33 -5.966 8.604 4.943 1.00 0.00 O ATOM 568 CB ILE A 33 -6.852 8.863 1.746 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.125 9.885 0.639 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.142 8.599 2.523 1.00 0.00 C ATOM 571 CD1 ILE A 33 -6.904 9.236 -0.729 1.00 0.00 C ATOM 0 H ILE A 33 -4.592 9.047 0.965 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.098 10.352 3.154 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.498 7.931 1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.148 10.254 0.716 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.466 10.745 0.755 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.900 8.205 1.846 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.949 7.873 3.313 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.498 9.530 2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.099 9.966 -1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.874 8.889 -0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.581 8.390 -0.844 1.00 0.00 H new ATOM 583 N GLU A 34 -4.756 7.398 3.560 1.00 0.00 N ATOM 584 CA GLU A 34 -4.441 6.402 4.624 1.00 0.00 C ATOM 585 C GLU A 34 -3.279 5.509 4.180 1.00 0.00 C ATOM 586 O GLU A 34 -2.884 5.513 3.032 1.00 0.00 O ATOM 587 CB GLU A 34 -5.720 5.581 4.790 1.00 0.00 C ATOM 588 CG GLU A 34 -6.306 5.830 6.181 1.00 0.00 C ATOM 589 CD GLU A 34 -7.782 5.430 6.194 1.00 0.00 C ATOM 590 OE1 GLU A 34 -8.516 5.921 5.352 1.00 0.00 O ATOM 591 OE2 GLU A 34 -8.154 4.640 7.046 1.00 0.00 O ATOM 0 H GLU A 34 -4.345 7.202 2.647 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.139 6.874 5.559 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.444 5.856 4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.504 4.521 4.658 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.756 5.255 6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.201 6.882 6.448 1.00 0.00 H new ATOM 598 N LYS A 35 -2.727 4.748 5.084 1.00 0.00 N ATOM 599 CA LYS A 35 -1.587 3.858 4.712 1.00 0.00 C ATOM 600 C LYS A 35 -2.059 2.404 4.588 1.00 0.00 C ATOM 601 O LYS A 35 -2.448 1.780 5.556 1.00 0.00 O ATOM 602 CB LYS A 35 -0.569 4.011 5.849 1.00 0.00 C ATOM 603 CG LYS A 35 -1.142 3.444 7.154 1.00 0.00 C ATOM 604 CD LYS A 35 -0.703 4.319 8.331 1.00 0.00 C ATOM 605 CE LYS A 35 -1.593 5.562 8.407 1.00 0.00 C ATOM 606 NZ LYS A 35 -1.862 5.753 9.859 1.00 0.00 N ATOM 0 H LYS A 35 -3.014 4.702 6.062 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.155 4.125 3.748 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.354 3.491 5.593 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.316 5.063 5.981 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.230 3.409 7.100 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.797 2.420 7.300 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.769 3.755 9.261 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.340 4.613 8.210 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.094 6.432 7.980 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.519 5.420 7.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.467 6.588 9.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.344 4.912 10.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.963 5.893 10.363 1.00 0.00 H new ATOM 620 N ILE A 36 -2.029 1.859 3.403 1.00 0.00 N ATOM 621 CA ILE A 36 -2.478 0.442 3.228 1.00 0.00 C ATOM 622 C ILE A 36 -1.291 -0.479 3.044 1.00 0.00 C ATOM 623 O ILE A 36 -1.317 -1.625 3.448 1.00 0.00 O ATOM 624 CB ILE A 36 -3.332 0.434 1.965 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.491 0.896 0.764 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.515 1.372 2.154 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.327 0.832 -0.509 1.00 0.00 C ATOM 0 H ILE A 36 -1.716 2.326 2.552 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.028 0.093 4.102 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.693 -0.577 1.777 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.137 1.914 0.927 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.608 0.264 0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.129 1.370 1.253 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.113 1.037 3.001 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.152 2.382 2.343 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.725 1.161 -1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.659 -0.193 -0.675 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.196 1.482 -0.407 1.00 0.00 H new ATOM 639 N GLY A 37 -0.267 -0.010 2.404 1.00 0.00 N ATOM 640 CA GLY A 37 0.889 -0.892 2.167 1.00 0.00 C ATOM 641 C GLY A 37 2.171 -0.310 2.735 1.00 0.00 C ATOM 642 O GLY A 37 2.263 0.854 3.061 1.00 0.00 O ATOM 0 H GLY A 37 -0.183 0.938 2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.701 -1.866 2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.008 -1.055 1.096 1.00 0.00 H new ATOM 646 N TYR A 38 3.174 -1.137 2.803 1.00 0.00 N ATOM 647 CA TYR A 38 4.511 -0.696 3.289 1.00 0.00 C ATOM 648 C TYR A 38 5.583 -1.369 2.431 1.00 0.00 C ATOM 649 O TYR A 38 5.640 -2.581 2.348 1.00 0.00 O ATOM 650 CB TYR A 38 4.600 -1.172 4.737 1.00 0.00 C ATOM 651 CG TYR A 38 5.810 -0.550 5.395 1.00 0.00 C ATOM 652 CD1 TYR A 38 7.095 -1.006 5.073 1.00 0.00 C ATOM 653 CD2 TYR A 38 5.647 0.481 6.327 1.00 0.00 C ATOM 654 CE1 TYR A 38 8.216 -0.429 5.684 1.00 0.00 C ATOM 655 CE2 TYR A 38 6.767 1.058 6.938 1.00 0.00 C ATOM 656 CZ TYR A 38 8.051 0.603 6.616 1.00 0.00 C ATOM 657 OH TYR A 38 9.156 1.171 7.218 1.00 0.00 O ATOM 0 H TYR A 38 3.123 -2.120 2.537 1.00 0.00 H new ATOM 0 HA TYR A 38 4.653 0.383 3.226 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.695 -0.896 5.279 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.672 -2.259 4.771 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.221 -1.802 4.354 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.656 0.832 6.575 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.207 -0.780 5.436 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.640 1.854 7.657 1.00 0.00 H new ATOM 0 HH TYR A 38 8.866 1.873 7.837 1.00 0.00 H new ATOM 667 N TYR A 39 6.436 -0.615 1.790 1.00 0.00 N ATOM 668 CA TYR A 39 7.485 -1.263 0.950 1.00 0.00 C ATOM 669 C TYR A 39 8.869 -0.983 1.546 1.00 0.00 C ATOM 670 O TYR A 39 9.139 0.104 2.016 1.00 0.00 O ATOM 671 CB TYR A 39 7.374 -0.637 -0.444 1.00 0.00 C ATOM 672 CG TYR A 39 8.500 -1.132 -1.333 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.975 -2.447 -1.210 1.00 0.00 C ATOM 674 CD2 TYR A 39 9.067 -0.275 -2.285 1.00 0.00 C ATOM 675 CE1 TYR A 39 10.013 -2.899 -2.034 1.00 0.00 C ATOM 676 CE2 TYR A 39 10.105 -0.730 -3.108 1.00 0.00 C ATOM 677 CZ TYR A 39 10.577 -2.041 -2.982 1.00 0.00 C ATOM 678 OH TYR A 39 11.598 -2.489 -3.795 1.00 0.00 O ATOM 0 H TYR A 39 6.453 0.405 1.810 1.00 0.00 H new ATOM 0 HA TYR A 39 7.351 -2.344 0.906 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.412 -0.891 -0.889 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.413 0.450 -0.367 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.539 -3.111 -0.479 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.704 0.737 -2.384 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.378 -3.911 -1.937 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.542 -0.068 -3.841 1.00 0.00 H new ATOM 0 HH TYR A 39 11.876 -1.768 -4.398 1.00 0.00 H new ATOM 688 N ASP A 40 9.748 -1.942 1.525 1.00 0.00 N ATOM 689 CA ASP A 40 11.111 -1.711 2.083 1.00 0.00 C ATOM 690 C ASP A 40 12.160 -2.364 1.178 1.00 0.00 C ATOM 691 O ASP A 40 12.541 -3.496 1.390 1.00 0.00 O ATOM 692 CB ASP A 40 11.097 -2.370 3.463 1.00 0.00 C ATOM 693 CG ASP A 40 12.068 -1.636 4.388 1.00 0.00 C ATOM 694 OD1 ASP A 40 11.641 -0.695 5.037 1.00 0.00 O ATOM 695 OD2 ASP A 40 13.224 -2.026 4.432 1.00 0.00 O ATOM 0 H ASP A 40 9.585 -2.875 1.147 1.00 0.00 H new ATOM 0 HA ASP A 40 11.361 -0.652 2.149 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.090 -2.344 3.880 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.380 -3.419 3.380 1.00 0.00 H new ATOM 838 N LEU A 49 8.056 -6.850 1.745 1.00 0.00 N ATOM 839 CA LEU A 49 6.732 -6.224 1.467 1.00 0.00 C ATOM 840 C LEU A 49 5.754 -6.485 2.614 1.00 0.00 C ATOM 841 O LEU A 49 5.531 -7.611 3.013 1.00 0.00 O ATOM 842 CB LEU A 49 6.236 -6.910 0.197 1.00 0.00 C ATOM 843 CG LEU A 49 5.020 -6.160 -0.345 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.157 -5.981 -1.856 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.753 -6.959 -0.038 1.00 0.00 C ATOM 0 HA LEU A 49 6.811 -5.142 1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.028 -6.930 -0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.973 -7.946 0.410 1.00 0.00 H new ATOM 0 HG LEU A 49 4.958 -5.180 0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.288 -5.446 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.060 -5.411 -2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.221 -6.959 -2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.884 -6.426 -0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.817 -7.939 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.653 -7.083 1.040 1.00 0.00 H new ATOM 857 N LYS A 50 5.152 -5.451 3.130 1.00 0.00 N ATOM 858 CA LYS A 50 4.165 -5.629 4.232 1.00 0.00 C ATOM 859 C LYS A 50 2.914 -4.810 3.915 1.00 0.00 C ATOM 860 O LYS A 50 2.801 -3.661 4.295 1.00 0.00 O ATOM 861 CB LYS A 50 4.850 -5.093 5.490 1.00 0.00 C ATOM 862 CG LYS A 50 3.901 -5.241 6.682 1.00 0.00 C ATOM 863 CD LYS A 50 4.631 -4.867 7.974 1.00 0.00 C ATOM 864 CE LYS A 50 3.895 -5.479 9.169 1.00 0.00 C ATOM 865 NZ LYS A 50 3.997 -4.458 10.249 1.00 0.00 N ATOM 0 H LYS A 50 5.301 -4.486 2.835 1.00 0.00 H new ATOM 0 HA LYS A 50 3.863 -6.669 4.361 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.775 -5.640 5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.121 -4.046 5.353 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.030 -4.600 6.547 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.536 -6.266 6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.659 -5.229 7.942 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.678 -3.783 8.078 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.854 -5.692 8.925 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.351 -6.421 9.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.515 -4.806 11.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.999 -4.280 10.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.549 -3.574 9.934 1.00 0.00 H new ATOM 879 N VAL A 51 1.980 -5.380 3.203 1.00 0.00 N ATOM 880 CA VAL A 51 0.756 -4.610 2.855 1.00 0.00 C ATOM 881 C VAL A 51 -0.479 -5.207 3.528 1.00 0.00 C ATOM 882 O VAL A 51 -0.678 -6.405 3.549 1.00 0.00 O ATOM 883 CB VAL A 51 0.651 -4.695 1.307 1.00 0.00 C ATOM 884 CG1 VAL A 51 -0.796 -4.950 0.841 1.00 0.00 C ATOM 885 CG2 VAL A 51 1.105 -3.378 0.692 1.00 0.00 C ATOM 0 H VAL A 51 2.012 -6.337 2.851 1.00 0.00 H new ATOM 0 HA VAL A 51 0.813 -3.578 3.200 1.00 0.00 H new ATOM 0 HB VAL A 51 1.282 -5.525 0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.824 -5.002 -0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.152 -5.892 1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.437 -4.137 1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.031 -3.439 -0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.470 -2.569 1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.139 -3.182 0.975 1.00 0.00 H new ATOM 895 N ASP A 52 -1.341 -4.363 4.009 1.00 0.00 N ATOM 896 CA ASP A 52 -2.601 -4.859 4.601 1.00 0.00 C ATOM 897 C ASP A 52 -3.573 -5.047 3.442 1.00 0.00 C ATOM 898 O ASP A 52 -4.497 -4.276 3.274 1.00 0.00 O ATOM 899 CB ASP A 52 -3.073 -3.746 5.536 1.00 0.00 C ATOM 900 CG ASP A 52 -3.765 -4.359 6.755 1.00 0.00 C ATOM 901 OD1 ASP A 52 -3.522 -5.524 7.025 1.00 0.00 O ATOM 902 OD2 ASP A 52 -4.527 -3.655 7.396 1.00 0.00 O ATOM 0 H ASP A 52 -1.225 -3.350 4.016 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.507 -5.797 5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.225 -3.140 5.853 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.760 -3.083 5.011 1.00 0.00 H new ATOM 907 N VAL A 53 -3.322 -6.038 2.608 1.00 0.00 N ATOM 908 CA VAL A 53 -4.181 -6.284 1.396 1.00 0.00 C ATOM 909 C VAL A 53 -5.653 -5.947 1.673 1.00 0.00 C ATOM 910 O VAL A 53 -6.351 -5.481 0.799 1.00 0.00 O ATOM 911 CB VAL A 53 -3.970 -7.773 0.992 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.723 -8.660 2.215 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.191 -8.309 0.230 1.00 0.00 C ATOM 0 H VAL A 53 -2.549 -6.694 2.718 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.894 -5.632 0.571 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.090 -7.805 0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.580 -9.692 1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.831 -8.317 2.739 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.581 -8.604 2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.021 -9.351 -0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.075 -8.239 0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.344 -7.718 -0.673 1.00 0.00 H new ATOM 923 N GLU A 54 -6.123 -6.139 2.872 1.00 0.00 N ATOM 924 CA GLU A 54 -7.537 -5.780 3.157 1.00 0.00 C ATOM 925 C GLU A 54 -7.718 -4.278 2.929 1.00 0.00 C ATOM 926 O GLU A 54 -8.556 -3.852 2.160 1.00 0.00 O ATOM 927 CB GLU A 54 -7.769 -6.152 4.621 1.00 0.00 C ATOM 928 CG GLU A 54 -9.104 -6.887 4.751 1.00 0.00 C ATOM 929 CD GLU A 54 -10.228 -5.870 4.963 1.00 0.00 C ATOM 930 OE1 GLU A 54 -9.963 -4.843 5.566 1.00 0.00 O ATOM 931 OE2 GLU A 54 -11.333 -6.136 4.519 1.00 0.00 O ATOM 0 H GLU A 54 -5.598 -6.524 3.657 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.248 -6.298 2.513 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.957 -6.784 4.981 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.773 -5.255 5.240 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.296 -7.476 3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.067 -7.584 5.588 1.00 0.00 H new ATOM 938 N ARG A 55 -6.917 -3.478 3.575 1.00 0.00 N ATOM 939 CA ARG A 55 -7.011 -2.005 3.384 1.00 0.00 C ATOM 940 C ARG A 55 -6.532 -1.652 1.973 1.00 0.00 C ATOM 941 O ARG A 55 -7.108 -0.827 1.290 1.00 0.00 O ATOM 942 CB ARG A 55 -6.069 -1.411 4.435 1.00 0.00 C ATOM 943 CG ARG A 55 -6.883 -0.708 5.523 1.00 0.00 C ATOM 944 CD ARG A 55 -7.287 0.683 5.034 1.00 0.00 C ATOM 945 NE ARG A 55 -8.651 0.499 4.464 1.00 0.00 N ATOM 946 CZ ARG A 55 -9.702 0.413 5.247 1.00 0.00 C ATOM 947 NH1 ARG A 55 -9.580 0.483 6.550 1.00 0.00 N ATOM 948 NH2 ARG A 55 -10.886 0.248 4.724 1.00 0.00 N ATOM 0 H ARG A 55 -6.198 -3.783 4.230 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.027 -1.625 3.493 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.459 -2.199 4.877 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.385 -0.704 3.965 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.771 -1.293 5.764 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.296 -0.628 6.438 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.293 1.404 5.851 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.591 1.057 4.283 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.770 0.439 3.453 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.659 0.606 6.970 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.406 0.414 7.144 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.992 0.186 3.711 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.705 0.181 5.328 1.00 0.00 H new ATOM 962 N ALA A 56 -5.496 -2.296 1.515 1.00 0.00 N ATOM 963 CA ALA A 56 -5.006 -2.024 0.146 1.00 0.00 C ATOM 964 C ALA A 56 -6.087 -2.478 -0.841 1.00 0.00 C ATOM 965 O ALA A 56 -6.150 -2.023 -1.970 1.00 0.00 O ATOM 966 CB ALA A 56 -3.708 -2.836 0.021 1.00 0.00 C ATOM 0 H ALA A 56 -4.970 -2.999 2.034 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.806 -0.973 -0.062 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.280 -2.688 -0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.996 -2.503 0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.925 -3.894 0.168 1.00 0.00 H new ATOM 972 N ARG A 57 -6.966 -3.356 -0.410 1.00 0.00 N ATOM 973 CA ARG A 57 -8.055 -3.813 -1.306 1.00 0.00 C ATOM 974 C ARG A 57 -9.254 -2.861 -1.203 1.00 0.00 C ATOM 975 O ARG A 57 -10.076 -2.790 -2.094 1.00 0.00 O ATOM 976 CB ARG A 57 -8.431 -5.215 -0.822 1.00 0.00 C ATOM 977 CG ARG A 57 -9.608 -5.741 -1.646 1.00 0.00 C ATOM 978 CD ARG A 57 -9.214 -7.062 -2.314 1.00 0.00 C ATOM 979 NE ARG A 57 -9.617 -6.908 -3.742 1.00 0.00 N ATOM 980 CZ ARG A 57 -9.501 -7.908 -4.584 1.00 0.00 C ATOM 981 NH1 ARG A 57 -9.040 -9.070 -4.191 1.00 0.00 N ATOM 982 NH2 ARG A 57 -9.852 -7.745 -5.831 1.00 0.00 N ATOM 0 H ARG A 57 -6.968 -3.769 0.523 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.746 -3.826 -2.351 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.577 -5.886 -0.919 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.697 -5.187 0.235 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.477 -5.890 -1.005 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.892 -5.009 -2.402 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.143 -7.246 -2.224 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.723 -7.906 -1.849 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.987 -6.015 -4.068 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.765 -9.207 -3.218 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.956 -9.837 -4.858 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.214 -6.845 -6.145 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.764 -8.518 -6.491 1.00 0.00 H new ATOM 996 N TYR A 58 -9.342 -2.107 -0.135 1.00 0.00 N ATOM 997 CA TYR A 58 -10.459 -1.134 0.015 1.00 0.00 C ATOM 998 C TYR A 58 -10.347 -0.148 -1.125 1.00 0.00 C ATOM 999 O TYR A 58 -11.288 0.175 -1.825 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.170 -0.421 1.345 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.896 0.915 1.425 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.185 1.037 0.901 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.277 2.026 2.024 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.863 2.258 0.973 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.956 3.248 2.095 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.249 3.364 1.572 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.917 4.569 1.645 1.00 0.00 O ATOM 0 H TYR A 58 -8.682 -2.127 0.642 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.450 -1.587 0.005 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.479 -1.056 2.175 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.097 -0.261 1.449 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.660 0.185 0.438 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.280 1.937 2.429 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.860 2.347 0.567 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.481 4.103 2.554 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.349 5.231 2.092 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.165 0.330 -1.271 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.859 1.325 -2.315 1.00 0.00 C ATOM 1019 C TRP A 59 -9.086 0.720 -3.679 1.00 0.00 C ATOM 1020 O TRP A 59 -9.854 1.221 -4.474 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.406 1.666 -2.052 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.394 2.317 -0.721 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.801 1.854 0.398 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.087 3.518 -0.356 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.070 2.737 1.435 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -7.864 3.787 1.008 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.871 4.397 -1.098 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.413 4.912 1.624 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.431 5.527 -0.491 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.202 5.786 0.867 1.00 0.00 C ATOM 0 H TRP A 59 -8.368 0.066 -0.692 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.488 2.215 -2.292 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.784 0.771 -2.058 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -7.013 2.332 -2.820 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.216 0.949 0.475 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.727 2.626 2.389 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -9.048 4.206 -2.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.232 5.106 2.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.042 6.202 -1.072 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.635 6.661 1.330 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.471 -0.388 -3.942 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.711 -1.057 -5.246 1.00 0.00 C ATOM 1043 C LEU A 60 -10.225 -1.254 -5.415 1.00 0.00 C ATOM 1044 O LEU A 60 -10.729 -1.391 -6.513 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.992 -2.404 -5.149 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.578 -2.269 -5.711 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.797 -3.559 -5.450 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.653 -2.014 -7.217 1.00 0.00 C ATOM 0 H LEU A 60 -7.816 -0.860 -3.318 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.348 -0.484 -6.099 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.952 -2.733 -4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.544 -3.163 -5.703 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.072 -1.435 -5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.788 -3.461 -5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.744 -3.742 -4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.301 -4.394 -5.936 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.645 -1.917 -7.620 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.160 -2.848 -7.702 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.208 -1.095 -7.403 1.00 0.00 H new ATOM 1060 N SER A 61 -10.954 -1.253 -4.320 1.00 0.00 N ATOM 1061 CA SER A 61 -12.427 -1.422 -4.401 1.00 0.00 C ATOM 1062 C SER A 61 -13.107 -0.091 -4.754 1.00 0.00 C ATOM 1063 O SER A 61 -14.211 -0.072 -5.261 1.00 0.00 O ATOM 1064 CB SER A 61 -12.853 -1.885 -3.008 1.00 0.00 C ATOM 1065 OG SER A 61 -13.311 -3.228 -3.080 1.00 0.00 O ATOM 0 H SER A 61 -10.583 -1.142 -3.376 1.00 0.00 H new ATOM 0 HA SER A 61 -12.712 -2.135 -5.175 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.015 -1.811 -2.315 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.642 -1.239 -2.623 1.00 0.00 H new ATOM 0 HG SER A 61 -13.583 -3.529 -2.188 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.468 1.024 -4.493 1.00 0.00 N ATOM 1072 CA VAL A 62 -13.103 2.325 -4.822 1.00 0.00 C ATOM 1073 C VAL A 62 -12.549 2.855 -6.145 1.00 0.00 C ATOM 1074 O VAL A 62 -12.444 4.047 -6.361 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.766 3.279 -3.660 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -13.074 2.622 -2.309 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.285 3.672 -3.697 1.00 0.00 C ATOM 0 H VAL A 62 -11.542 1.083 -4.070 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.182 2.229 -4.940 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.382 4.171 -3.776 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.828 3.314 -1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.133 2.370 -2.260 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.480 1.715 -2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.067 4.346 -2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.669 2.777 -3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.065 4.173 -4.640 1.00 0.00 H new ATOM 1087 N GLY A 63 -12.200 1.969 -7.028 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.654 2.396 -8.347 1.00 0.00 C ATOM 1089 C GLY A 63 -10.232 2.935 -8.175 1.00 0.00 C ATOM 1090 O GLY A 63 -9.769 3.744 -8.955 1.00 0.00 O ATOM 0 H GLY A 63 -12.269 0.960 -6.895 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.651 1.554 -9.039 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.293 3.164 -8.783 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.528 2.500 -7.163 1.00 0.00 N ATOM 1095 CA ALA A 64 -8.142 2.999 -6.958 1.00 0.00 C ATOM 1096 C ALA A 64 -7.225 2.497 -8.077 1.00 0.00 C ATOM 1097 O ALA A 64 -7.352 1.383 -8.545 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.707 2.424 -5.610 1.00 0.00 C ATOM 0 H ALA A 64 -9.854 1.823 -6.473 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.091 4.088 -6.972 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.691 2.748 -5.387 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.380 2.778 -4.829 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.739 1.335 -5.651 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.302 3.310 -8.510 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.376 2.881 -9.597 1.00 0.00 C ATOM 1106 C GLN A 65 -3.954 2.706 -9.045 1.00 0.00 C ATOM 1107 O GLN A 65 -3.278 3.677 -8.768 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.414 4.017 -10.619 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.468 3.430 -12.032 1.00 0.00 C ATOM 1110 CD GLN A 65 -4.907 4.446 -13.030 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -5.651 5.183 -13.647 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -3.618 4.520 -13.212 1.00 0.00 N ATOM 0 H GLN A 65 -6.148 4.255 -8.158 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.668 1.926 -10.034 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.284 4.650 -10.443 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.533 4.649 -10.509 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.892 2.506 -12.075 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.496 3.177 -12.293 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.994 3.902 -12.694 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.234 5.196 -13.872 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.542 1.468 -8.897 1.00 0.00 N ATOM 1122 CA PRO A 66 -2.189 1.181 -8.374 1.00 0.00 C ATOM 1123 C PRO A 66 -1.147 1.255 -9.494 1.00 0.00 C ATOM 1124 O PRO A 66 -1.258 0.580 -10.498 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.305 -0.247 -7.854 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.421 -0.871 -8.637 1.00 0.00 C ATOM 1127 CD PRO A 66 -4.287 0.237 -9.189 1.00 0.00 C ATOM 0 HA PRO A 66 -1.871 1.892 -7.612 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.373 -0.793 -7.997 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.521 -0.259 -6.786 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.022 -1.481 -9.447 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.009 -1.532 -8.000 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.450 0.117 -10.260 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.269 0.246 -8.716 1.00 0.00 H new ATOM 1135 N THR A 67 -0.128 2.055 -9.329 1.00 0.00 N ATOM 1136 CA THR A 67 0.916 2.141 -10.390 1.00 0.00 C ATOM 1137 C THR A 67 1.519 0.753 -10.611 1.00 0.00 C ATOM 1138 O THR A 67 1.465 -0.092 -9.748 1.00 0.00 O ATOM 1139 CB THR A 67 1.968 3.112 -9.850 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.036 3.215 -10.783 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.505 2.600 -8.513 1.00 0.00 C ATOM 0 H THR A 67 0.026 2.648 -8.513 1.00 0.00 H new ATOM 0 HA THR A 67 0.520 2.484 -11.346 1.00 0.00 H new ATOM 0 HB THR A 67 1.515 4.092 -9.703 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.711 3.838 -10.440 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.254 3.294 -8.132 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.686 2.521 -7.798 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.958 1.619 -8.655 1.00 0.00 H new ATOM 1149 N ASP A 68 2.077 0.504 -11.761 1.00 0.00 N ATOM 1150 CA ASP A 68 2.661 -0.845 -12.031 1.00 0.00 C ATOM 1151 C ASP A 68 3.586 -1.297 -10.893 1.00 0.00 C ATOM 1152 O ASP A 68 3.497 -2.410 -10.415 1.00 0.00 O ATOM 1153 CB ASP A 68 3.455 -0.677 -13.328 1.00 0.00 C ATOM 1154 CG ASP A 68 2.796 -1.494 -14.441 1.00 0.00 C ATOM 1155 OD1 ASP A 68 1.860 -0.992 -15.042 1.00 0.00 O ATOM 1156 OD2 ASP A 68 3.238 -2.607 -14.674 1.00 0.00 O ATOM 0 H ASP A 68 2.156 1.173 -12.527 1.00 0.00 H new ATOM 0 HA ASP A 68 1.885 -1.607 -12.110 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.493 0.375 -13.609 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.484 -1.006 -13.182 1.00 0.00 H new ATOM 1161 N THR A 69 4.485 -0.454 -10.472 1.00 0.00 N ATOM 1162 CA THR A 69 5.432 -0.845 -9.381 1.00 0.00 C ATOM 1163 C THR A 69 4.698 -1.156 -8.075 1.00 0.00 C ATOM 1164 O THR A 69 4.836 -2.226 -7.513 1.00 0.00 O ATOM 1165 CB THR A 69 6.315 0.373 -9.186 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.537 1.010 -10.436 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.653 -0.043 -8.571 1.00 0.00 C ATOM 0 H THR A 69 4.609 0.492 -10.834 1.00 0.00 H new ATOM 0 HA THR A 69 5.987 -1.745 -9.646 1.00 0.00 H new ATOM 0 HB THR A 69 5.816 1.069 -8.512 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.106 1.797 -10.306 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.280 0.838 -8.435 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.478 -0.517 -7.605 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.155 -0.747 -9.235 1.00 0.00 H new ATOM 1175 N ALA A 70 3.928 -0.230 -7.579 1.00 0.00 N ATOM 1176 CA ALA A 70 3.204 -0.474 -6.308 1.00 0.00 C ATOM 1177 C ALA A 70 2.140 -1.530 -6.538 1.00 0.00 C ATOM 1178 O ALA A 70 1.755 -2.248 -5.638 1.00 0.00 O ATOM 1179 CB ALA A 70 2.571 0.865 -5.938 1.00 0.00 C ATOM 0 H ALA A 70 3.770 0.685 -8.001 1.00 0.00 H new ATOM 0 HA ALA A 70 3.856 -0.833 -5.512 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.017 0.760 -5.005 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.352 1.615 -5.814 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.891 1.177 -6.730 1.00 0.00 H new ATOM 1185 N ARG A 71 1.683 -1.650 -7.750 1.00 0.00 N ATOM 1186 CA ARG A 71 0.675 -2.678 -8.043 1.00 0.00 C ATOM 1187 C ARG A 71 1.362 -4.024 -7.939 1.00 0.00 C ATOM 1188 O ARG A 71 0.816 -4.980 -7.427 1.00 0.00 O ATOM 1189 CB ARG A 71 0.203 -2.408 -9.472 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.806 -3.477 -9.890 1.00 0.00 C ATOM 1191 CD ARG A 71 -1.319 -3.171 -11.300 1.00 0.00 C ATOM 1192 NE ARG A 71 -1.544 -4.506 -11.928 1.00 0.00 N ATOM 1193 CZ ARG A 71 -1.898 -4.605 -13.188 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -2.057 -3.536 -13.930 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -2.091 -5.786 -13.711 1.00 0.00 N ATOM 0 H ARG A 71 1.969 -1.077 -8.544 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.175 -2.665 -7.361 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.252 -1.420 -9.535 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.054 -2.411 -10.153 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.339 -4.462 -9.867 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.638 -3.502 -9.186 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.241 -2.590 -11.267 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.594 -2.586 -11.866 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.421 -5.352 -11.371 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.905 -2.610 -13.530 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.332 -3.630 -14.908 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.967 -6.623 -13.141 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.366 -5.872 -14.689 1.00 0.00 H new ATOM 1209 N ARG A 72 2.586 -4.091 -8.393 1.00 0.00 N ATOM 1210 CA ARG A 72 3.324 -5.365 -8.294 1.00 0.00 C ATOM 1211 C ARG A 72 3.460 -5.729 -6.822 1.00 0.00 C ATOM 1212 O ARG A 72 3.493 -6.884 -6.449 1.00 0.00 O ATOM 1213 CB ARG A 72 4.688 -5.097 -8.921 1.00 0.00 C ATOM 1214 CG ARG A 72 4.839 -5.968 -10.165 1.00 0.00 C ATOM 1215 CD ARG A 72 5.836 -5.321 -11.127 1.00 0.00 C ATOM 1216 NE ARG A 72 7.171 -5.813 -10.679 1.00 0.00 N ATOM 1217 CZ ARG A 72 8.264 -5.458 -11.310 1.00 0.00 C ATOM 1218 NH1 ARG A 72 8.214 -4.663 -12.350 1.00 0.00 N ATOM 1219 NH2 ARG A 72 9.418 -5.904 -10.895 1.00 0.00 N ATOM 0 H ARG A 72 3.096 -3.320 -8.824 1.00 0.00 H new ATOM 0 HA ARG A 72 2.824 -6.192 -8.799 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.781 -4.044 -9.185 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.481 -5.318 -8.207 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.183 -6.964 -9.884 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.873 -6.091 -10.655 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.634 -5.609 -12.159 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.780 -4.233 -11.083 1.00 0.00 H new ATOM 0 HE ARG A 72 7.234 -6.433 -9.872 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.315 -4.311 -12.680 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.074 -4.396 -12.830 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.464 -6.523 -10.086 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.274 -5.633 -11.380 1.00 0.00 H new ATOM 1233 N LEU A 73 3.521 -4.735 -5.981 1.00 0.00 N ATOM 1234 CA LEU A 73 3.630 -4.990 -4.534 1.00 0.00 C ATOM 1235 C LEU A 73 2.257 -5.365 -3.998 1.00 0.00 C ATOM 1236 O LEU A 73 2.121 -6.241 -3.167 1.00 0.00 O ATOM 1237 CB LEU A 73 4.129 -3.683 -3.925 1.00 0.00 C ATOM 1238 CG LEU A 73 5.433 -3.270 -4.612 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.725 -1.800 -4.308 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.583 -4.134 -4.093 1.00 0.00 C ATOM 0 H LEU A 73 3.499 -3.750 -6.245 1.00 0.00 H new ATOM 0 HA LEU A 73 4.309 -5.808 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.378 -2.902 -4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.292 -3.806 -2.854 1.00 0.00 H new ATOM 0 HG LEU A 73 5.334 -3.408 -5.689 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.653 -1.505 -4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.907 -1.182 -4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.823 -1.664 -3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.510 -3.838 -4.583 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.683 -3.998 -3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.377 -5.182 -4.309 1.00 0.00 H new ATOM 1252 N LEU A 74 1.226 -4.738 -4.501 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.135 -5.103 -4.047 1.00 0.00 C ATOM 1254 C LEU A 74 -0.369 -6.557 -4.433 1.00 0.00 C ATOM 1255 O LEU A 74 -1.067 -7.294 -3.766 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.087 -4.183 -4.811 1.00 0.00 C ATOM 1257 CG LEU A 74 -0.983 -2.766 -4.258 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -1.866 -1.829 -5.082 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -1.447 -2.752 -2.799 1.00 0.00 C ATOM 0 H LEU A 74 1.273 -3.997 -5.200 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.280 -4.995 -2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.840 -4.189 -5.873 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.111 -4.546 -4.720 1.00 0.00 H new ATOM 0 HG LEU A 74 0.053 -2.431 -4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.791 -0.816 -4.686 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.536 -1.838 -6.121 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.902 -2.164 -5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.373 -1.739 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.482 -3.088 -2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.817 -3.419 -2.210 1.00 0.00 H new ATOM 1271 N ARG A 75 0.244 -6.972 -5.511 1.00 0.00 N ATOM 1272 CA ARG A 75 0.102 -8.373 -5.964 1.00 0.00 C ATOM 1273 C ARG A 75 1.005 -9.253 -5.119 1.00 0.00 C ATOM 1274 O ARG A 75 0.737 -10.417 -4.899 1.00 0.00 O ATOM 1275 CB ARG A 75 0.561 -8.369 -7.420 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.548 -8.939 -8.302 1.00 0.00 C ATOM 1277 CD ARG A 75 0.072 -9.668 -9.497 1.00 0.00 C ATOM 1278 NE ARG A 75 0.109 -11.106 -9.095 1.00 0.00 N ATOM 1279 CZ ARG A 75 -0.972 -11.848 -9.145 1.00 0.00 C ATOM 1280 NH1 ARG A 75 -2.117 -11.349 -9.540 1.00 0.00 N ATOM 1281 NH2 ARG A 75 -0.906 -13.104 -8.794 1.00 0.00 N ATOM 0 H ARG A 75 0.841 -6.389 -6.097 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.916 -8.753 -5.871 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.805 -7.354 -7.733 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.469 -8.963 -7.529 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.168 -9.626 -7.726 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.199 -8.137 -8.650 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.524 -9.525 -10.399 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.072 -9.293 -9.713 1.00 0.00 H new ATOM 0 HE ARG A 75 0.987 -11.517 -8.777 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.178 -10.369 -9.815 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.947 -11.941 -9.573 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.019 -13.501 -8.484 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.741 -13.688 -8.830 1.00 0.00 H new ATOM 1295 N GLN A 76 2.074 -8.693 -4.634 1.00 0.00 N ATOM 1296 CA GLN A 76 2.997 -9.473 -3.795 1.00 0.00 C ATOM 1297 C GLN A 76 2.388 -9.647 -2.422 1.00 0.00 C ATOM 1298 O GLN A 76 2.510 -10.676 -1.788 1.00 0.00 O ATOM 1299 CB GLN A 76 4.258 -8.627 -3.752 1.00 0.00 C ATOM 1300 CG GLN A 76 5.437 -9.475 -3.283 1.00 0.00 C ATOM 1301 CD GLN A 76 5.694 -10.591 -4.296 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.920 -11.726 -3.924 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.672 -10.315 -5.572 1.00 0.00 N ATOM 0 H GLN A 76 2.343 -7.721 -4.788 1.00 0.00 H new ATOM 0 HA GLN A 76 3.203 -10.475 -4.172 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.465 -8.216 -4.740 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.116 -7.782 -3.079 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.326 -8.854 -3.176 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.226 -9.901 -2.302 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.482 -9.363 -5.885 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.844 -11.052 -6.256 1.00 0.00 H new ATOM 1312 N ALA A 77 1.705 -8.648 -1.981 1.00 0.00 N ATOM 1313 CA ALA A 77 1.039 -8.728 -0.662 1.00 0.00 C ATOM 1314 C ALA A 77 -0.140 -9.710 -0.726 1.00 0.00 C ATOM 1315 O ALA A 77 -0.742 -10.035 0.278 1.00 0.00 O ATOM 1316 CB ALA A 77 0.539 -7.315 -0.386 1.00 0.00 C ATOM 0 H ALA A 77 1.575 -7.768 -2.479 1.00 0.00 H new ATOM 0 HA ALA A 77 1.710 -9.083 0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.031 -7.291 0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.384 -6.627 -0.369 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.157 -7.016 -1.170 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.478 -10.181 -1.901 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.619 -11.133 -2.028 1.00 0.00 C ATOM 1324 C GLY A 78 -2.931 -10.350 -2.104 1.00 0.00 C ATOM 1325 O GLY A 78 -3.852 -10.591 -1.351 1.00 0.00 O ATOM 0 H GLY A 78 -0.011 -9.946 -2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.497 -11.746 -2.921 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.637 -11.812 -1.175 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.022 -9.407 -3.006 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.270 -8.607 -3.120 1.00 0.00 C ATOM 1331 C VAL A 79 -5.040 -8.948 -4.402 1.00 0.00 C ATOM 1332 O VAL A 79 -6.123 -8.447 -4.633 1.00 0.00 O ATOM 1333 CB VAL A 79 -3.813 -7.157 -3.157 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.034 -6.239 -3.238 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.017 -6.835 -1.891 1.00 0.00 C ATOM 0 H VAL A 79 -2.285 -9.159 -3.666 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.946 -8.812 -2.290 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.180 -7.001 -4.031 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.707 -5.200 -3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.599 -6.465 -4.142 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.667 -6.398 -2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.691 -5.795 -1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.647 -6.993 -1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.145 -7.487 -1.834 1.00 0.00 H new