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 150:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 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= -0.0733 K(o=-0.073,f=-3.2!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.613 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.583 X(o=-0.58,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.366 8.445 -6.408 1.00 0.00 N ATOM 21 CA VAL A 2 -7.719 7.450 -5.504 1.00 0.00 C ATOM 22 C VAL A 2 -6.550 6.766 -6.220 1.00 0.00 C ATOM 23 O VAL A 2 -6.721 6.127 -7.239 1.00 0.00 O ATOM 24 CB VAL A 2 -8.818 6.439 -5.179 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.268 5.375 -4.229 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.990 7.161 -4.511 1.00 0.00 C ATOM 0 HA VAL A 2 -7.312 7.911 -4.604 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.158 5.963 -6.099 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.052 4.654 -3.997 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.431 4.862 -4.703 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.928 5.850 -3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.775 6.442 -4.278 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.648 7.636 -3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.382 7.921 -5.187 1.00 0.00 H new ATOM 36 N LYS A 3 -5.361 6.902 -5.699 1.00 0.00 N ATOM 37 CA LYS A 3 -4.180 6.266 -6.351 1.00 0.00 C ATOM 38 C LYS A 3 -3.224 5.692 -5.299 1.00 0.00 C ATOM 39 O LYS A 3 -2.763 6.397 -4.425 1.00 0.00 O ATOM 40 CB LYS A 3 -3.499 7.402 -7.114 1.00 0.00 C ATOM 41 CG LYS A 3 -3.836 7.297 -8.599 1.00 0.00 C ATOM 42 CD LYS A 3 -2.679 7.863 -9.421 1.00 0.00 C ATOM 43 CE LYS A 3 -2.837 7.442 -10.881 1.00 0.00 C ATOM 44 NZ LYS A 3 -2.466 8.650 -11.670 1.00 0.00 N ATOM 0 H LYS A 3 -5.156 7.427 -4.849 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.468 5.439 -7.000 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.829 8.365 -6.723 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.419 7.353 -6.972 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.015 6.257 -8.870 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.753 7.845 -8.815 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.663 8.950 -9.345 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.729 7.501 -9.028 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.189 6.599 -11.121 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.859 7.130 -11.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.549 8.441 -12.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.104 9.434 -11.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.486 8.920 -11.452 1.00 0.00 H new ATOM 58 N ILE A 4 -2.902 4.428 -5.384 1.00 0.00 N ATOM 59 CA ILE A 4 -1.957 3.844 -4.396 1.00 0.00 C ATOM 60 C ILE A 4 -0.558 3.761 -5.023 1.00 0.00 C ATOM 61 O ILE A 4 -0.390 3.269 -6.121 1.00 0.00 O ATOM 62 CB ILE A 4 -2.517 2.463 -4.045 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.744 2.632 -3.147 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.461 1.637 -3.303 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.370 1.262 -2.873 1.00 0.00 C ATOM 0 H ILE A 4 -3.251 3.781 -6.091 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.860 4.447 -3.493 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.793 1.946 -4.964 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.458 3.107 -2.209 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.472 3.287 -3.627 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.871 0.657 -3.059 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.583 1.515 -3.937 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.177 2.150 -2.384 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.244 1.383 -2.233 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.671 0.804 -3.815 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.642 0.622 -2.375 1.00 0.00 H new ATOM 77 N ARG A 5 0.444 4.254 -4.340 1.00 0.00 N ATOM 78 CA ARG A 5 1.822 4.218 -4.906 1.00 0.00 C ATOM 79 C ARG A 5 2.863 4.149 -3.787 1.00 0.00 C ATOM 80 O ARG A 5 2.535 3.920 -2.644 1.00 0.00 O ATOM 81 CB ARG A 5 1.963 5.522 -5.690 1.00 0.00 C ATOM 82 CG ARG A 5 1.813 6.709 -4.737 1.00 0.00 C ATOM 83 CD ARG A 5 3.145 7.455 -4.636 1.00 0.00 C ATOM 84 NE ARG A 5 3.125 8.432 -5.763 1.00 0.00 N ATOM 85 CZ ARG A 5 2.350 9.490 -5.723 1.00 0.00 C ATOM 86 NH1 ARG A 5 1.559 9.708 -4.701 1.00 0.00 N ATOM 87 NH2 ARG A 5 2.364 10.335 -6.719 1.00 0.00 N ATOM 0 H ARG A 5 0.365 4.679 -3.416 1.00 0.00 H new ATOM 0 HA ARG A 5 1.982 3.342 -5.535 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.934 5.559 -6.184 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.206 5.572 -6.472 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.034 7.381 -5.097 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.504 6.361 -3.752 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.242 7.962 -3.676 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.989 6.770 -4.722 1.00 0.00 H new ATOM 0 HE ARG A 5 3.722 8.276 -6.575 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.540 9.050 -3.922 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.963 10.535 -4.685 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.974 10.170 -7.520 1.00 0.00 H new ATOM 0 HH22 ARG A 5 1.765 11.160 -6.696 1.00 0.00 H new ATOM 101 N LEU A 6 4.117 4.354 -4.104 1.00 0.00 N ATOM 102 CA LEU A 6 5.170 4.293 -3.046 1.00 0.00 C ATOM 103 C LEU A 6 5.360 5.662 -2.393 1.00 0.00 C ATOM 104 O LEU A 6 5.560 6.661 -3.055 1.00 0.00 O ATOM 105 CB LEU A 6 6.455 3.895 -3.776 1.00 0.00 C ATOM 106 CG LEU A 6 6.355 2.448 -4.250 1.00 0.00 C ATOM 107 CD1 LEU A 6 7.666 2.037 -4.925 1.00 0.00 C ATOM 108 CD2 LEU A 6 6.085 1.528 -3.058 1.00 0.00 C ATOM 0 H LEU A 6 4.455 4.560 -5.044 1.00 0.00 H new ATOM 0 HA LEU A 6 4.901 3.590 -2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.620 4.555 -4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.312 4.011 -3.112 1.00 0.00 H new ATOM 0 HG LEU A 6 5.535 2.362 -4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.593 1.003 -5.263 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.854 2.686 -5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.486 2.129 -4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.015 0.496 -3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.900 1.615 -2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.148 1.816 -2.581 1.00 0.00 H new ATOM 120 N ALA A 7 5.300 5.707 -1.094 1.00 0.00 N ATOM 121 CA ALA A 7 5.476 7.000 -0.377 1.00 0.00 C ATOM 122 C ALA A 7 6.903 7.118 0.168 1.00 0.00 C ATOM 123 O ALA A 7 7.234 6.550 1.186 1.00 0.00 O ATOM 124 CB ALA A 7 4.473 6.925 0.765 1.00 0.00 C ATOM 0 H ALA A 7 5.136 4.899 -0.493 1.00 0.00 H new ATOM 0 HA ALA A 7 5.317 7.866 -1.020 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.526 7.839 1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.467 6.813 0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.706 6.069 1.398 1.00 0.00 H new ATOM 130 N ARG A 8 7.750 7.847 -0.506 1.00 0.00 N ATOM 131 CA ARG A 8 9.159 7.996 -0.038 1.00 0.00 C ATOM 132 C ARG A 8 9.233 8.821 1.253 1.00 0.00 C ATOM 133 O ARG A 8 8.799 9.955 1.302 1.00 0.00 O ATOM 134 CB ARG A 8 9.864 8.735 -1.175 1.00 0.00 C ATOM 135 CG ARG A 8 11.377 8.536 -1.062 1.00 0.00 C ATOM 136 CD ARG A 8 12.057 9.089 -2.319 1.00 0.00 C ATOM 137 NE ARG A 8 13.495 9.229 -1.951 1.00 0.00 N ATOM 138 CZ ARG A 8 14.298 9.991 -2.657 1.00 0.00 C ATOM 139 NH1 ARG A 8 13.855 10.654 -3.698 1.00 0.00 N ATOM 140 NH2 ARG A 8 15.553 10.091 -2.317 1.00 0.00 N ATOM 0 H ARG A 8 7.526 8.349 -1.365 1.00 0.00 H new ATOM 0 HA ARG A 8 9.614 7.032 0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.510 8.364 -2.137 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.624 9.797 -1.135 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.757 9.044 -0.176 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.608 7.477 -0.946 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.930 8.414 -3.165 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.629 10.048 -2.609 1.00 0.00 H new ATOM 0 HE ARG A 8 13.859 8.727 -1.141 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.874 10.582 -3.969 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.491 11.242 -4.237 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.904 9.579 -1.508 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.183 10.681 -2.860 1.00 0.00 H new ATOM 276 N TYR A 17 9.519 2.956 0.942 1.00 0.00 N ATOM 277 CA TYR A 17 8.307 3.744 0.655 1.00 0.00 C ATOM 278 C TYR A 17 7.117 2.939 1.122 1.00 0.00 C ATOM 279 O TYR A 17 7.151 1.728 1.070 1.00 0.00 O ATOM 280 CB TYR A 17 8.203 3.844 -0.862 1.00 0.00 C ATOM 281 CG TYR A 17 9.455 4.390 -1.486 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.630 3.637 -1.487 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.421 5.641 -2.103 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.776 4.137 -2.104 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.564 6.145 -2.717 1.00 0.00 C ATOM 286 CZ TYR A 17 11.748 5.395 -2.722 1.00 0.00 C ATOM 287 OH TYR A 17 12.881 5.892 -3.334 1.00 0.00 O ATOM 0 HA TYR A 17 8.340 4.722 1.135 1.00 0.00 H new ATOM 0 HB2 TYR A 17 7.995 2.857 -1.275 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.360 4.484 -1.124 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.652 2.668 -1.010 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.508 6.218 -2.104 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.686 3.555 -2.106 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.538 7.115 -3.190 1.00 0.00 H new ATOM 0 HH TYR A 17 12.622 6.474 -4.079 1.00 0.00 H new ATOM 297 N ARG A 18 6.047 3.553 1.516 1.00 0.00 N ATOM 298 CA ARG A 18 4.888 2.719 1.887 1.00 0.00 C ATOM 299 C ARG A 18 3.945 2.726 0.697 1.00 0.00 C ATOM 300 O ARG A 18 4.005 3.602 -0.143 1.00 0.00 O ATOM 301 CB ARG A 18 4.285 3.309 3.183 1.00 0.00 C ATOM 302 CG ARG A 18 3.010 4.131 2.920 1.00 0.00 C ATOM 303 CD ARG A 18 2.400 4.542 4.264 1.00 0.00 C ATOM 304 NE ARG A 18 2.903 5.924 4.518 1.00 0.00 N ATOM 305 CZ ARG A 18 2.987 6.397 5.742 1.00 0.00 C ATOM 306 NH1 ARG A 18 2.607 5.682 6.772 1.00 0.00 N ATOM 307 NH2 ARG A 18 3.447 7.604 5.934 1.00 0.00 N ATOM 0 H ARG A 18 5.926 4.563 1.596 1.00 0.00 H new ATOM 0 HA ARG A 18 5.134 1.679 2.102 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.054 2.498 3.874 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.027 3.942 3.670 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.246 5.015 2.327 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.294 3.543 2.345 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.311 4.521 4.225 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.704 3.861 5.059 1.00 0.00 H new ATOM 0 HE ARG A 18 3.185 6.509 3.732 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.238 4.741 6.632 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.680 6.066 7.714 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.738 8.172 5.138 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.516 7.979 6.880 1.00 0.00 H new ATOM 321 N ILE A 19 3.073 1.785 0.622 1.00 0.00 N ATOM 322 CA ILE A 19 2.131 1.769 -0.504 1.00 0.00 C ATOM 323 C ILE A 19 0.887 2.409 0.068 1.00 0.00 C ATOM 324 O ILE A 19 0.021 1.772 0.634 1.00 0.00 O ATOM 325 CB ILE A 19 1.928 0.305 -0.921 1.00 0.00 C ATOM 326 CG1 ILE A 19 3.140 -0.570 -0.536 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.781 0.238 -2.437 1.00 0.00 C ATOM 328 CD1 ILE A 19 2.922 -2.006 -1.016 1.00 0.00 C ATOM 0 H ILE A 19 2.970 1.024 1.293 1.00 0.00 H new ATOM 0 HA ILE A 19 2.452 2.301 -1.400 1.00 0.00 H new ATOM 0 HB ILE A 19 1.040 -0.066 -0.409 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.048 -0.163 -0.980 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.280 -0.556 0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.636 -0.798 -2.743 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.920 0.831 -2.746 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.681 0.633 -2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.782 -2.616 -0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.024 -2.413 -0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.804 -2.014 -2.100 1.00 0.00 H new ATOM 340 N VAL A 20 0.883 3.705 0.011 1.00 0.00 N ATOM 341 CA VAL A 20 -0.189 4.498 0.635 1.00 0.00 C ATOM 342 C VAL A 20 -1.248 4.893 -0.396 1.00 0.00 C ATOM 343 O VAL A 20 -1.079 4.690 -1.579 1.00 0.00 O ATOM 344 CB VAL A 20 0.605 5.694 1.207 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.598 6.892 0.255 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.031 6.110 2.554 1.00 0.00 C ATOM 0 H VAL A 20 1.601 4.258 -0.457 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.767 3.979 1.400 1.00 0.00 H new ATOM 0 HB VAL A 20 1.638 5.368 1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.167 7.710 0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.051 6.605 -0.694 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.429 7.215 0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.599 6.953 2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.012 6.401 2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.095 5.274 3.250 1.00 0.00 H new ATOM 356 N VAL A 21 -2.356 5.410 0.053 1.00 0.00 N ATOM 357 CA VAL A 21 -3.447 5.761 -0.893 1.00 0.00 C ATOM 358 C VAL A 21 -3.646 7.277 -0.948 1.00 0.00 C ATOM 359 O VAL A 21 -4.117 7.886 -0.010 1.00 0.00 O ATOM 360 CB VAL A 21 -4.715 5.076 -0.345 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.528 4.533 -1.513 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.375 3.905 0.588 1.00 0.00 C ATOM 0 H VAL A 21 -2.552 5.604 1.035 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.216 5.432 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.276 5.819 0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.427 4.046 -1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.809 5.353 -2.173 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.930 3.810 -2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.296 3.450 0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.794 3.161 0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.792 4.271 1.434 1.00 0.00 H new ATOM 372 N THR A 22 -3.295 7.889 -2.044 1.00 0.00 N ATOM 373 CA THR A 22 -3.463 9.367 -2.160 1.00 0.00 C ATOM 374 C THR A 22 -3.962 9.737 -3.560 1.00 0.00 C ATOM 375 O THR A 22 -4.370 8.890 -4.329 1.00 0.00 O ATOM 376 CB THR A 22 -2.064 9.946 -1.929 1.00 0.00 C ATOM 377 OG1 THR A 22 -2.078 11.341 -2.197 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.057 9.260 -2.855 1.00 0.00 C ATOM 0 H THR A 22 -2.899 7.431 -2.865 1.00 0.00 H new ATOM 0 HA THR A 22 -4.191 9.753 -1.447 1.00 0.00 H new ATOM 0 HB THR A 22 -1.773 9.775 -0.893 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.183 11.712 -2.048 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.064 9.677 -2.685 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.042 8.190 -2.647 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.347 9.424 -3.893 1.00 0.00 H new ATOM 543 N TYR A 32 -2.024 11.522 1.569 1.00 0.00 N ATOM 544 CA TYR A 32 -2.839 10.308 1.260 1.00 0.00 C ATOM 545 C TYR A 32 -4.043 10.203 2.192 1.00 0.00 C ATOM 546 O TYR A 32 -4.124 10.863 3.209 1.00 0.00 O ATOM 547 CB TYR A 32 -1.907 9.108 1.467 1.00 0.00 C ATOM 548 CG TYR A 32 -1.293 9.164 2.845 1.00 0.00 C ATOM 549 CD1 TYR A 32 -2.048 8.797 3.963 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.033 9.581 3.001 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.477 8.848 5.240 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.606 9.632 4.276 1.00 0.00 C ATOM 553 CZ TYR A 32 -0.150 9.265 5.397 1.00 0.00 C ATOM 554 OH TYR A 32 0.415 9.316 6.655 1.00 0.00 O ATOM 0 HA TYR A 32 -3.228 10.350 0.243 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.464 8.179 1.345 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.123 9.111 0.710 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.071 8.474 3.841 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.615 9.864 2.136 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.060 8.566 6.104 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.630 9.954 4.396 1.00 0.00 H new ATOM 0 HH TYR A 32 1.342 9.625 6.585 1.00 0.00 H new ATOM 564 N ILE A 33 -4.977 9.364 1.844 1.00 0.00 N ATOM 565 CA ILE A 33 -6.187 9.184 2.688 1.00 0.00 C ATOM 566 C ILE A 33 -5.876 8.228 3.842 1.00 0.00 C ATOM 567 O ILE A 33 -6.410 8.350 4.927 1.00 0.00 O ATOM 568 CB ILE A 33 -7.220 8.573 1.743 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.573 9.587 0.652 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.480 8.212 2.524 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.654 8.875 -0.699 1.00 0.00 C ATOM 0 H ILE A 33 -4.952 8.790 1.001 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.538 10.115 3.134 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.806 7.673 1.288 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.525 10.066 0.880 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.820 10.375 0.615 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.215 7.776 1.847 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.231 7.491 3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.895 9.111 2.981 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.905 9.597 -1.476 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.692 8.417 -0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.423 8.103 -0.658 1.00 0.00 H new ATOM 583 N GLU A 34 -5.012 7.278 3.613 1.00 0.00 N ATOM 584 CA GLU A 34 -4.658 6.310 4.689 1.00 0.00 C ATOM 585 C GLU A 34 -3.503 5.419 4.224 1.00 0.00 C ATOM 586 O GLU A 34 -3.045 5.516 3.104 1.00 0.00 O ATOM 587 CB GLU A 34 -5.926 5.487 4.915 1.00 0.00 C ATOM 588 CG GLU A 34 -6.520 5.832 6.282 1.00 0.00 C ATOM 589 CD GLU A 34 -8.044 5.918 6.170 1.00 0.00 C ATOM 590 OE1 GLU A 34 -8.656 4.904 5.878 1.00 0.00 O ATOM 591 OE2 GLU A 34 -8.573 6.998 6.377 1.00 0.00 O ATOM 0 H GLU A 34 -4.534 7.130 2.724 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.331 6.801 5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.652 5.694 4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.696 4.423 4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.241 5.074 7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.117 6.781 6.637 1.00 0.00 H new ATOM 598 N LYS A 35 -3.025 4.555 5.075 1.00 0.00 N ATOM 599 CA LYS A 35 -1.898 3.666 4.675 1.00 0.00 C ATOM 600 C LYS A 35 -2.363 2.211 4.618 1.00 0.00 C ATOM 601 O LYS A 35 -2.867 1.673 5.584 1.00 0.00 O ATOM 602 CB LYS A 35 -0.844 3.851 5.767 1.00 0.00 C ATOM 603 CG LYS A 35 -0.485 5.333 5.882 1.00 0.00 C ATOM 604 CD LYS A 35 -0.889 5.851 7.264 1.00 0.00 C ATOM 605 CE LYS A 35 -0.057 5.146 8.338 1.00 0.00 C ATOM 606 NZ LYS A 35 -0.941 5.102 9.537 1.00 0.00 N ATOM 0 H LYS A 35 -3.365 4.426 6.028 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.510 3.911 3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.224 3.483 6.720 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.046 3.267 5.531 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.585 5.472 5.729 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.995 5.903 5.105 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.735 6.929 7.319 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.950 5.671 7.435 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.230 4.143 8.021 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.864 5.691 8.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.442 4.632 10.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.192 6.071 9.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.807 4.572 9.311 1.00 0.00 H new ATOM 620 N ILE A 36 -2.193 1.566 3.496 1.00 0.00 N ATOM 621 CA ILE A 36 -2.626 0.142 3.395 1.00 0.00 C ATOM 622 C ILE A 36 -1.449 -0.759 3.068 1.00 0.00 C ATOM 623 O ILE A 36 -1.450 -1.930 3.399 1.00 0.00 O ATOM 624 CB ILE A 36 -3.686 0.103 2.290 1.00 0.00 C ATOM 625 CG1 ILE A 36 -3.102 0.587 0.953 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.845 1.016 2.691 1.00 0.00 C ATOM 627 CD1 ILE A 36 -2.284 -0.528 0.302 1.00 0.00 C ATOM 0 H ILE A 36 -1.777 1.959 2.652 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.032 -0.222 4.339 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.030 -0.924 2.165 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.907 0.895 0.286 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.473 1.462 1.118 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.608 0.998 1.913 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.275 0.667 3.629 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.479 2.035 2.817 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.875 -0.174 -0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.468 -0.815 0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.925 -1.391 0.120 1.00 0.00 H new ATOM 639 N GLY A 37 -0.447 -0.245 2.420 1.00 0.00 N ATOM 640 CA GLY A 37 0.703 -1.110 2.087 1.00 0.00 C ATOM 641 C GLY A 37 2.008 -0.512 2.588 1.00 0.00 C ATOM 642 O GLY A 37 2.098 0.657 2.906 1.00 0.00 O ATOM 0 H GLY A 37 -0.377 0.725 2.111 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.559 -2.096 2.529 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.755 -1.249 1.007 1.00 0.00 H new ATOM 646 N TYR A 38 3.038 -1.308 2.602 1.00 0.00 N ATOM 647 CA TYR A 38 4.383 -0.815 3.012 1.00 0.00 C ATOM 648 C TYR A 38 5.425 -1.411 2.062 1.00 0.00 C ATOM 649 O TYR A 38 5.326 -2.560 1.679 1.00 0.00 O ATOM 650 CB TYR A 38 4.609 -1.317 4.437 1.00 0.00 C ATOM 651 CG TYR A 38 5.787 -0.581 5.037 1.00 0.00 C ATOM 652 CD1 TYR A 38 5.605 0.686 5.605 1.00 0.00 C ATOM 653 CD2 TYR A 38 7.063 -1.162 5.024 1.00 0.00 C ATOM 654 CE1 TYR A 38 6.692 1.369 6.161 1.00 0.00 C ATOM 655 CE2 TYR A 38 8.151 -0.478 5.582 1.00 0.00 C ATOM 656 CZ TYR A 38 7.964 0.787 6.150 1.00 0.00 C ATOM 657 OH TYR A 38 9.036 1.462 6.700 1.00 0.00 O ATOM 0 H TYR A 38 3.006 -2.294 2.343 1.00 0.00 H new ATOM 0 HA TYR A 38 4.460 0.272 2.974 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.716 -1.153 5.040 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.798 -2.390 4.433 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.624 1.137 5.614 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.207 -2.137 4.584 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.549 2.346 6.599 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.133 -0.927 5.574 1.00 0.00 H new ATOM 0 HH TYR A 38 9.846 0.918 6.611 1.00 0.00 H new ATOM 667 N TYR A 39 6.420 -0.660 1.673 1.00 0.00 N ATOM 668 CA TYR A 39 7.440 -1.231 0.747 1.00 0.00 C ATOM 669 C TYR A 39 8.846 -0.791 1.182 1.00 0.00 C ATOM 670 O TYR A 39 9.104 0.380 1.373 1.00 0.00 O ATOM 671 CB TYR A 39 7.109 -0.669 -0.641 1.00 0.00 C ATOM 672 CG TYR A 39 8.162 -1.121 -1.630 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.607 -2.450 -1.622 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.699 -0.212 -2.550 1.00 0.00 C ATOM 675 CE1 TYR A 39 9.586 -2.869 -2.533 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.675 -0.632 -3.462 1.00 0.00 C ATOM 677 CZ TYR A 39 10.119 -1.959 -3.453 1.00 0.00 C ATOM 678 OH TYR A 39 11.078 -2.369 -4.360 1.00 0.00 O ATOM 0 H TYR A 39 6.570 0.310 1.951 1.00 0.00 H new ATOM 0 HA TYR A 39 7.424 -2.321 0.748 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.124 -1.012 -0.959 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.071 0.420 -0.605 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.195 -3.152 -0.913 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.360 0.813 -2.556 1.00 0.00 H new ATOM 0 HE1 TYR A 39 9.929 -3.893 -2.525 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.086 0.069 -4.173 1.00 0.00 H new ATOM 0 HH TYR A 39 11.338 -1.612 -4.925 1.00 0.00 H new ATOM 688 N ASP A 40 9.759 -1.708 1.347 1.00 0.00 N ATOM 689 CA ASP A 40 11.135 -1.308 1.773 1.00 0.00 C ATOM 690 C ASP A 40 12.190 -2.089 0.982 1.00 0.00 C ATOM 691 O ASP A 40 12.691 -3.091 1.448 1.00 0.00 O ATOM 692 CB ASP A 40 11.206 -1.660 3.258 1.00 0.00 C ATOM 693 CG ASP A 40 12.527 -1.152 3.840 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.525 -1.226 3.143 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.516 -0.697 4.972 1.00 0.00 O ATOM 0 H ASP A 40 9.617 -2.708 1.208 1.00 0.00 H new ATOM 0 HA ASP A 40 11.330 -0.251 1.594 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.366 -1.212 3.789 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.129 -2.739 3.391 1.00 0.00 H new ATOM 838 N LEU A 49 8.028 -6.399 1.810 1.00 0.00 N ATOM 839 CA LEU A 49 6.639 -6.098 1.358 1.00 0.00 C ATOM 840 C LEU A 49 5.647 -6.306 2.505 1.00 0.00 C ATOM 841 O LEU A 49 5.541 -7.383 3.059 1.00 0.00 O ATOM 842 CB LEU A 49 6.362 -7.101 0.239 1.00 0.00 C ATOM 843 CG LEU A 49 5.148 -6.646 -0.572 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.350 -7.022 -2.038 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.894 -7.337 -0.037 1.00 0.00 C ATOM 0 HA LEU A 49 6.533 -5.065 1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.234 -7.186 -0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.180 -8.090 0.660 1.00 0.00 H new ATOM 0 HG LEU A 49 5.033 -5.566 -0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.486 -6.699 -2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.247 -6.533 -2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.462 -8.103 -2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.027 -7.014 -0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.008 -8.417 -0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.752 -7.073 1.011 1.00 0.00 H new ATOM 857 N LYS A 50 4.917 -5.288 2.861 1.00 0.00 N ATOM 858 CA LYS A 50 3.927 -5.433 3.970 1.00 0.00 C ATOM 859 C LYS A 50 2.616 -4.742 3.589 1.00 0.00 C ATOM 860 O LYS A 50 2.471 -3.548 3.758 1.00 0.00 O ATOM 861 CB LYS A 50 4.570 -4.728 5.166 1.00 0.00 C ATOM 862 CG LYS A 50 4.613 -5.682 6.361 1.00 0.00 C ATOM 863 CD LYS A 50 5.472 -5.070 7.469 1.00 0.00 C ATOM 864 CE LYS A 50 4.766 -3.844 8.051 1.00 0.00 C ATOM 865 NZ LYS A 50 5.680 -3.343 9.116 1.00 0.00 N ATOM 0 H LYS A 50 4.960 -4.362 2.435 1.00 0.00 H new ATOM 0 HA LYS A 50 3.693 -6.475 4.187 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.579 -4.403 4.910 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.002 -3.833 5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.604 -5.868 6.729 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.024 -6.645 6.057 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.649 -5.806 8.253 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.447 -4.786 7.072 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.597 -3.086 7.287 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.790 -4.107 8.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.264 -2.501 9.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.817 -4.084 9.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.598 -3.094 8.696 1.00 0.00 H new ATOM 879 N VAL A 51 1.658 -5.470 3.071 1.00 0.00 N ATOM 880 CA VAL A 51 0.379 -4.808 2.684 1.00 0.00 C ATOM 881 C VAL A 51 -0.832 -5.507 3.292 1.00 0.00 C ATOM 882 O VAL A 51 -1.044 -6.691 3.120 1.00 0.00 O ATOM 883 CB VAL A 51 0.331 -4.860 1.137 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.118 -4.933 0.617 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.956 -3.594 0.578 1.00 0.00 C ATOM 0 H VAL A 51 1.705 -6.475 2.903 1.00 0.00 H new ATOM 0 HA VAL A 51 0.344 -3.784 3.057 1.00 0.00 H new ATOM 0 HB VAL A 51 0.872 -5.751 0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.112 -4.968 -0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.600 -5.830 1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.668 -4.053 0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.926 -3.624 -0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.400 -2.726 0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.992 -3.522 0.910 1.00 0.00 H new ATOM 895 N ASP A 52 -1.671 -4.747 3.929 1.00 0.00 N ATOM 896 CA ASP A 52 -2.918 -5.320 4.466 1.00 0.00 C ATOM 897 C ASP A 52 -3.866 -5.431 3.277 1.00 0.00 C ATOM 898 O ASP A 52 -4.797 -4.664 3.153 1.00 0.00 O ATOM 899 CB ASP A 52 -3.426 -4.296 5.483 1.00 0.00 C ATOM 900 CG ASP A 52 -4.338 -4.988 6.499 1.00 0.00 C ATOM 901 OD1 ASP A 52 -5.016 -5.926 6.115 1.00 0.00 O ATOM 902 OD2 ASP A 52 -4.342 -4.566 7.643 1.00 0.00 O ATOM 0 H ASP A 52 -1.542 -3.750 4.099 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.811 -6.295 4.941 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.585 -3.828 5.994 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.970 -3.501 4.973 1.00 0.00 H new ATOM 907 N VAL A 53 -3.573 -6.345 2.372 1.00 0.00 N ATOM 908 CA VAL A 53 -4.392 -6.516 1.117 1.00 0.00 C ATOM 909 C VAL A 53 -5.872 -6.165 1.341 1.00 0.00 C ATOM 910 O VAL A 53 -6.513 -5.624 0.466 1.00 0.00 O ATOM 911 CB VAL A 53 -4.187 -7.988 0.649 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.936 -8.927 1.832 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.413 -8.489 -0.130 1.00 0.00 C ATOM 0 H VAL A 53 -2.787 -6.991 2.451 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.062 -5.825 0.341 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.311 -7.994 0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.798 -9.944 1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.041 -8.609 2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.791 -8.897 2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.247 -9.519 -0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.294 -8.444 0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.569 -7.860 -1.007 1.00 0.00 H new ATOM 923 N GLU A 54 -6.410 -6.432 2.496 1.00 0.00 N ATOM 924 CA GLU A 54 -7.831 -6.063 2.728 1.00 0.00 C ATOM 925 C GLU A 54 -7.978 -4.549 2.577 1.00 0.00 C ATOM 926 O GLU A 54 -8.809 -4.064 1.835 1.00 0.00 O ATOM 927 CB GLU A 54 -8.144 -6.511 4.155 1.00 0.00 C ATOM 928 CG GLU A 54 -8.683 -7.943 4.129 1.00 0.00 C ATOM 929 CD GLU A 54 -10.137 -7.933 3.655 1.00 0.00 C ATOM 930 OE1 GLU A 54 -10.785 -6.912 3.815 1.00 0.00 O ATOM 931 OE2 GLU A 54 -10.578 -8.947 3.138 1.00 0.00 O ATOM 0 H GLU A 54 -5.936 -6.883 3.279 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.514 -6.531 2.020 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.245 -6.460 4.770 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.877 -5.842 4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.077 -8.559 3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.616 -8.386 5.123 1.00 0.00 H new ATOM 938 N ARG A 55 -7.154 -3.801 3.254 1.00 0.00 N ATOM 939 CA ARG A 55 -7.216 -2.322 3.128 1.00 0.00 C ATOM 940 C ARG A 55 -6.678 -1.921 1.756 1.00 0.00 C ATOM 941 O ARG A 55 -7.237 -1.092 1.075 1.00 0.00 O ATOM 942 CB ARG A 55 -6.321 -1.784 4.241 1.00 0.00 C ATOM 943 CG ARG A 55 -7.128 -1.688 5.533 1.00 0.00 C ATOM 944 CD ARG A 55 -7.641 -0.260 5.715 1.00 0.00 C ATOM 945 NE ARG A 55 -6.418 0.562 5.950 1.00 0.00 N ATOM 946 CZ ARG A 55 -6.490 1.716 6.571 1.00 0.00 C ATOM 947 NH1 ARG A 55 -7.643 2.197 6.969 1.00 0.00 N ATOM 948 NH2 ARG A 55 -5.400 2.400 6.788 1.00 0.00 N ATOM 0 H ARG A 55 -6.439 -4.152 3.891 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.229 -1.929 3.215 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.462 -2.440 4.383 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.931 -0.803 3.968 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.966 -2.385 5.502 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.508 -1.973 6.383 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.182 0.081 4.832 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.330 -0.192 6.557 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.513 0.222 5.623 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.501 1.673 6.797 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.682 3.095 7.450 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.499 2.037 6.476 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.449 3.298 7.270 1.00 0.00 H new ATOM 962 N ALA A 56 -5.614 -2.539 1.327 1.00 0.00 N ATOM 963 CA ALA A 56 -5.072 -2.225 -0.013 1.00 0.00 C ATOM 964 C ALA A 56 -6.123 -2.632 -1.053 1.00 0.00 C ATOM 965 O ALA A 56 -6.094 -2.195 -2.187 1.00 0.00 O ATOM 966 CB ALA A 56 -3.789 -3.059 -0.125 1.00 0.00 C ATOM 0 H ALA A 56 -5.100 -3.247 1.850 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.849 -1.170 -0.173 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.324 -2.882 -1.095 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.098 -2.771 0.667 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.033 -4.117 -0.027 1.00 0.00 H new ATOM 972 N ARG A 57 -7.079 -3.451 -0.658 1.00 0.00 N ATOM 973 CA ARG A 57 -8.149 -3.859 -1.599 1.00 0.00 C ATOM 974 C ARG A 57 -9.297 -2.843 -1.529 1.00 0.00 C ATOM 975 O ARG A 57 -9.992 -2.603 -2.495 1.00 0.00 O ATOM 976 CB ARG A 57 -8.614 -5.237 -1.118 1.00 0.00 C ATOM 977 CG ARG A 57 -9.852 -5.671 -1.912 1.00 0.00 C ATOM 978 CD ARG A 57 -9.610 -7.052 -2.527 1.00 0.00 C ATOM 979 NE ARG A 57 -10.325 -8.005 -1.628 1.00 0.00 N ATOM 980 CZ ARG A 57 -11.635 -8.101 -1.654 1.00 0.00 C ATOM 981 NH1 ARG A 57 -12.349 -7.362 -2.466 1.00 0.00 N ATOM 982 NH2 ARG A 57 -12.233 -8.943 -0.857 1.00 0.00 N ATOM 0 H ARG A 57 -7.153 -3.848 0.279 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.806 -3.898 -2.633 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.814 -5.966 -1.246 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.847 -5.202 -0.054 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.724 -5.701 -1.258 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.066 -4.945 -2.696 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.996 -7.104 -3.545 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.545 -7.280 -2.578 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.790 -8.589 -0.985 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.889 -6.700 -3.091 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.365 -7.449 -2.474 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.684 -9.520 -0.220 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.250 -9.024 -0.871 1.00 0.00 H new ATOM 996 N TYR A 58 -9.470 -2.222 -0.387 1.00 0.00 N ATOM 997 CA TYR A 58 -10.537 -1.191 -0.232 1.00 0.00 C ATOM 998 C TYR A 58 -10.286 -0.125 -1.269 1.00 0.00 C ATOM 999 O TYR A 58 -11.168 0.380 -1.934 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.294 -0.617 1.169 1.00 0.00 C ATOM 1001 CG TYR A 58 -11.000 0.717 1.351 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.243 0.946 0.750 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.402 1.725 2.125 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.890 2.175 0.920 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -11.052 2.954 2.295 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.295 3.179 1.694 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.935 4.389 1.862 1.00 0.00 O ATOM 0 H TYR A 58 -8.911 -2.389 0.450 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.551 -1.571 -0.351 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.648 -1.323 1.920 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.224 -0.489 1.331 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.704 0.172 0.154 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.442 1.553 2.589 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.849 2.349 0.454 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.593 3.729 2.891 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.387 4.973 2.427 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.054 0.209 -1.371 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.628 1.244 -2.320 1.00 0.00 C ATOM 1019 C TRP A 59 -8.793 0.724 -3.736 1.00 0.00 C ATOM 1020 O TRP A 59 -9.466 1.319 -4.556 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.185 1.513 -1.913 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.287 2.103 -0.551 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.771 1.601 0.594 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.045 3.271 -0.184 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.145 2.431 1.643 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -7.932 3.479 1.205 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.798 4.171 -0.941 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.562 4.556 1.830 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.435 5.254 -0.323 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.316 5.449 1.060 1.00 0.00 C ATOM 0 H TRP A 59 -8.300 -0.202 -0.821 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.208 2.166 -2.300 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.597 0.595 -1.905 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.698 2.198 -2.607 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.171 0.707 0.678 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.873 2.285 2.615 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.889 4.031 -2.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.469 4.699 2.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.021 5.942 -0.915 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.806 6.288 1.531 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.240 -0.409 -4.012 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.418 -1.003 -5.361 1.00 0.00 C ATOM 1043 C LEU A 60 -9.920 -1.179 -5.631 1.00 0.00 C ATOM 1044 O LEU A 60 -10.348 -1.293 -6.762 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.723 -2.364 -5.292 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.273 -2.222 -5.753 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.543 -3.552 -5.556 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.247 -1.841 -7.234 1.00 0.00 C ATOM 0 H LEU A 60 -7.671 -0.955 -3.365 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.005 -0.384 -6.158 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.755 -2.749 -4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.247 -3.084 -5.921 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.779 -1.446 -5.168 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.509 -3.451 -5.885 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.564 -3.826 -4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.036 -4.328 -6.142 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.214 -1.739 -7.565 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.740 -2.618 -7.818 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.768 -0.894 -7.375 1.00 0.00 H new ATOM 1060 N SER A 61 -10.723 -1.201 -4.592 1.00 0.00 N ATOM 1061 CA SER A 61 -12.190 -1.371 -4.782 1.00 0.00 C ATOM 1062 C SER A 61 -12.855 -0.026 -5.107 1.00 0.00 C ATOM 1063 O SER A 61 -13.919 0.019 -5.695 1.00 0.00 O ATOM 1064 CB SER A 61 -12.704 -1.921 -3.451 1.00 0.00 C ATOM 1065 OG SER A 61 -14.125 -1.927 -3.463 1.00 0.00 O ATOM 0 H SER A 61 -10.420 -1.108 -3.622 1.00 0.00 H new ATOM 0 HA SER A 61 -12.418 -2.038 -5.613 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.326 -2.931 -3.291 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.338 -1.310 -2.626 1.00 0.00 H new ATOM 0 HG SER A 61 -14.458 -2.280 -2.612 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.241 1.069 -4.742 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.844 2.393 -5.044 1.00 0.00 C ATOM 1073 C VAL A 62 -12.188 2.979 -6.291 1.00 0.00 C ATOM 1074 O VAL A 62 -12.044 4.177 -6.434 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.554 3.274 -3.827 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -13.219 2.694 -2.578 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.046 3.346 -3.606 1.00 0.00 C ATOM 0 H VAL A 62 -11.349 1.100 -4.248 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.915 2.321 -5.234 1.00 0.00 H new ATOM 0 HB VAL A 62 -12.954 4.271 -4.010 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -13.003 3.332 -1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.297 2.643 -2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.831 1.693 -2.391 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.835 3.973 -2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.655 2.343 -3.432 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.569 3.773 -4.488 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.799 2.130 -7.193 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.154 2.604 -8.450 1.00 0.00 C ATOM 1089 C GLY A 63 -9.767 3.183 -8.152 1.00 0.00 C ATOM 1090 O GLY A 63 -9.298 4.064 -8.846 1.00 0.00 O ATOM 0 H GLY A 63 -11.900 1.118 -7.116 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.066 1.778 -9.156 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.778 3.362 -8.923 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.097 2.700 -7.137 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.744 3.238 -6.830 1.00 0.00 C ATOM 1096 C ALA A 64 -6.768 2.851 -7.940 1.00 0.00 C ATOM 1097 O ALA A 64 -6.661 1.699 -8.306 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.336 2.583 -5.511 1.00 0.00 C ATOM 0 H ALA A 64 -9.427 1.963 -6.514 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.740 4.326 -6.757 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.345 2.934 -5.222 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.055 2.847 -4.736 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.316 1.500 -5.633 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.056 3.801 -8.479 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.087 3.481 -9.566 1.00 0.00 C ATOM 1106 C GLN A 65 -3.695 3.219 -8.973 1.00 0.00 C ATOM 1107 O GLN A 65 -3.051 4.131 -8.495 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.063 4.731 -10.448 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.807 4.452 -11.756 1.00 0.00 C ATOM 1110 CD GLN A 65 -4.911 3.635 -12.691 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -3.891 3.121 -12.276 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -5.251 3.493 -13.943 1.00 0.00 N ATOM 0 H GLN A 65 -6.103 4.785 -8.214 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.369 2.589 -10.124 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.528 5.566 -9.925 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.033 5.020 -10.658 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.730 3.908 -11.553 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.089 5.390 -12.234 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.107 3.925 -14.291 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.661 2.950 -14.573 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.268 1.977 -9.020 1.00 0.00 N ATOM 1122 CA PRO A 66 -1.940 1.622 -8.476 1.00 0.00 C ATOM 1123 C PRO A 66 -0.844 1.954 -9.491 1.00 0.00 C ATOM 1124 O PRO A 66 -1.064 1.925 -10.686 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.030 0.115 -8.265 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.072 -0.363 -9.229 1.00 0.00 C ATOM 1127 CD PRO A 66 -3.965 0.805 -9.568 1.00 0.00 C ATOM 0 HA PRO A 66 -1.694 2.165 -7.564 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.070 -0.366 -8.454 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.308 -0.121 -7.238 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.604 -0.759 -10.130 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.654 -1.173 -8.790 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.107 0.896 -10.645 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.954 0.689 -9.125 1.00 0.00 H new ATOM 1135 N THR A 67 0.335 2.261 -9.028 1.00 0.00 N ATOM 1136 CA THR A 67 1.440 2.583 -9.973 1.00 0.00 C ATOM 1137 C THR A 67 2.068 1.287 -10.493 1.00 0.00 C ATOM 1138 O THR A 67 1.785 0.212 -10.002 1.00 0.00 O ATOM 1139 CB THR A 67 2.451 3.376 -9.145 1.00 0.00 C ATOM 1140 OG1 THR A 67 2.613 2.754 -7.878 1.00 0.00 O ATOM 1141 CG2 THR A 67 1.945 4.806 -8.955 1.00 0.00 C ATOM 0 H THR A 67 0.581 2.303 -8.039 1.00 0.00 H new ATOM 0 HA THR A 67 1.098 3.147 -10.841 1.00 0.00 H new ATOM 0 HB THR A 67 3.410 3.399 -9.663 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.262 3.260 -7.346 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.666 5.372 -8.365 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.821 5.281 -9.928 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.987 4.787 -8.436 1.00 0.00 H new ATOM 1149 N ASP A 68 2.916 1.375 -11.479 1.00 0.00 N ATOM 1150 CA ASP A 68 3.554 0.139 -12.019 1.00 0.00 C ATOM 1151 C ASP A 68 4.334 -0.583 -10.916 1.00 0.00 C ATOM 1152 O ASP A 68 4.658 -1.749 -11.034 1.00 0.00 O ATOM 1153 CB ASP A 68 4.499 0.626 -13.120 1.00 0.00 C ATOM 1154 CG ASP A 68 4.036 0.092 -14.479 1.00 0.00 C ATOM 1155 OD1 ASP A 68 2.881 -0.287 -14.586 1.00 0.00 O ATOM 1156 OD2 ASP A 68 4.847 0.073 -15.391 1.00 0.00 O ATOM 0 H ASP A 68 3.195 2.244 -11.934 1.00 0.00 H new ATOM 0 HA ASP A 68 2.819 -0.570 -12.400 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.521 1.716 -13.136 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.515 0.289 -12.914 1.00 0.00 H new ATOM 1161 N THR A 69 4.639 0.097 -9.845 1.00 0.00 N ATOM 1162 CA THR A 69 5.395 -0.549 -8.735 1.00 0.00 C ATOM 1163 C THR A 69 4.441 -0.972 -7.619 1.00 0.00 C ATOM 1164 O THR A 69 4.491 -2.084 -7.132 1.00 0.00 O ATOM 1165 CB THR A 69 6.324 0.530 -8.217 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.759 1.348 -9.294 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.530 -0.109 -7.528 1.00 0.00 C ATOM 0 H THR A 69 4.396 1.076 -9.690 1.00 0.00 H new ATOM 0 HA THR A 69 5.926 -1.439 -9.071 1.00 0.00 H new ATOM 0 HB THR A 69 5.788 1.146 -7.495 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.358 2.045 -8.954 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.194 0.672 -7.158 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.190 -0.722 -6.693 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.067 -0.734 -8.241 1.00 0.00 H new ATOM 1175 N ALA A 70 3.569 -0.090 -7.211 1.00 0.00 N ATOM 1176 CA ALA A 70 2.613 -0.437 -6.134 1.00 0.00 C ATOM 1177 C ALA A 70 1.631 -1.463 -6.667 1.00 0.00 C ATOM 1178 O ALA A 70 1.087 -2.260 -5.929 1.00 0.00 O ATOM 1179 CB ALA A 70 1.903 0.871 -5.781 1.00 0.00 C ATOM 0 H ALA A 70 3.481 0.856 -7.581 1.00 0.00 H new ATOM 0 HA ALA A 70 3.096 -0.865 -5.256 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.178 0.689 -4.988 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.636 1.603 -5.442 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.388 1.255 -6.662 1.00 0.00 H new ATOM 1185 N ARG A 71 1.425 -1.473 -7.955 1.00 0.00 N ATOM 1186 CA ARG A 71 0.513 -2.475 -8.524 1.00 0.00 C ATOM 1187 C ARG A 71 1.177 -3.827 -8.351 1.00 0.00 C ATOM 1188 O ARG A 71 0.546 -4.814 -8.033 1.00 0.00 O ATOM 1189 CB ARG A 71 0.364 -2.122 -10.005 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.467 -3.203 -10.703 1.00 0.00 C ATOM 1191 CD ARG A 71 0.339 -3.807 -11.857 1.00 0.00 C ATOM 1192 NE ARG A 71 0.053 -5.271 -11.804 1.00 0.00 N ATOM 1193 CZ ARG A 71 -1.075 -5.756 -12.268 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -1.985 -4.970 -12.788 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -1.293 -7.041 -12.210 1.00 0.00 N ATOM 0 H ARG A 71 1.850 -0.832 -8.625 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.467 -2.496 -8.048 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.119 -1.151 -10.112 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.346 -2.044 -10.472 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.741 -3.982 -9.991 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.396 -2.775 -11.080 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.038 -3.381 -12.814 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.404 -3.609 -11.740 1.00 0.00 H new ATOM 0 HE ARG A 71 0.744 -5.904 -11.401 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.822 -3.964 -12.837 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.856 -5.364 -13.144 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.590 -7.660 -11.806 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.167 -7.427 -12.568 1.00 0.00 H new ATOM 1209 N ARG A 72 2.471 -3.863 -8.528 1.00 0.00 N ATOM 1210 CA ARG A 72 3.198 -5.138 -8.352 1.00 0.00 C ATOM 1211 C ARG A 72 3.095 -5.570 -6.892 1.00 0.00 C ATOM 1212 O ARG A 72 2.920 -6.732 -6.584 1.00 0.00 O ATOM 1213 CB ARG A 72 4.647 -4.831 -8.728 1.00 0.00 C ATOM 1214 CG ARG A 72 5.113 -5.811 -9.805 1.00 0.00 C ATOM 1215 CD ARG A 72 6.641 -5.897 -9.794 1.00 0.00 C ATOM 1216 NE ARG A 72 6.949 -7.350 -9.932 1.00 0.00 N ATOM 1217 CZ ARG A 72 8.186 -7.784 -9.871 1.00 0.00 C ATOM 1218 NH1 ARG A 72 9.183 -6.954 -9.688 1.00 0.00 N ATOM 1219 NH2 ARG A 72 8.426 -9.062 -9.992 1.00 0.00 N ATOM 0 H ARG A 72 3.048 -3.063 -8.786 1.00 0.00 H new ATOM 0 HA ARG A 72 2.796 -5.945 -8.964 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.730 -3.807 -9.092 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.286 -4.909 -7.849 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.682 -6.796 -9.626 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.764 -5.484 -10.784 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.074 -5.323 -10.613 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.052 -5.493 -8.869 1.00 0.00 H new ATOM 0 HE ARG A 72 6.189 -8.015 -10.076 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.003 -5.955 -9.591 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.139 -7.307 -9.643 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.655 -9.715 -10.133 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.385 -9.408 -9.946 1.00 0.00 H new ATOM 1233 N LEU A 73 3.193 -4.633 -5.989 1.00 0.00 N ATOM 1234 CA LEU A 73 3.093 -4.973 -4.552 1.00 0.00 C ATOM 1235 C LEU A 73 1.662 -5.365 -4.222 1.00 0.00 C ATOM 1236 O LEU A 73 1.419 -6.179 -3.356 1.00 0.00 O ATOM 1237 CB LEU A 73 3.507 -3.710 -3.800 1.00 0.00 C ATOM 1238 CG LEU A 73 4.906 -3.286 -4.247 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.137 -1.819 -3.882 1.00 0.00 C ATOM 1240 CD2 LEU A 73 5.949 -4.155 -3.545 1.00 0.00 C ATOM 0 H LEU A 73 3.339 -3.644 -6.191 1.00 0.00 H new ATOM 0 HA LEU A 73 3.728 -5.815 -4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.794 -2.909 -3.993 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.497 -3.894 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 73 4.995 -3.409 -5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.135 -1.517 -4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.393 -1.198 -4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.048 -1.694 -2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.947 -3.854 -3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.859 -4.031 -2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.786 -5.201 -3.805 1.00 0.00 H new ATOM 1252 N LEU A 74 0.708 -4.826 -4.928 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.693 -5.224 -4.670 1.00 0.00 C ATOM 1254 C LEU A 74 -0.871 -6.642 -5.207 1.00 0.00 C ATOM 1255 O LEU A 74 -1.687 -7.408 -4.738 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.557 -4.222 -5.436 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.659 -2.927 -4.629 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.261 -1.824 -5.502 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -2.557 -3.156 -3.410 1.00 0.00 C ATOM 0 H LEU A 74 0.841 -4.134 -5.665 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.966 -5.220 -3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.121 -4.021 -6.415 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.550 -4.637 -5.608 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.664 -2.627 -4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.333 -0.902 -4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.624 -1.660 -6.371 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.256 -2.124 -5.833 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.631 -2.234 -2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.551 -3.457 -3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.130 -3.941 -2.786 1.00 0.00 H new ATOM 1271 N ARG A 75 -0.068 -6.999 -6.175 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.133 -8.362 -6.742 1.00 0.00 C ATOM 1273 C ARG A 75 0.715 -9.291 -5.879 1.00 0.00 C ATOM 1274 O ARG A 75 0.482 -10.481 -5.804 1.00 0.00 O ATOM 1275 CB ARG A 75 0.469 -8.233 -8.141 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.324 -9.091 -9.122 1.00 0.00 C ATOM 1277 CD ARG A 75 0.539 -10.266 -9.587 1.00 0.00 C ATOM 1278 NE ARG A 75 0.662 -11.151 -8.391 1.00 0.00 N ATOM 1279 CZ ARG A 75 -0.330 -11.932 -8.027 1.00 0.00 C ATOM 1280 NH1 ARG A 75 -1.450 -11.962 -8.706 1.00 0.00 N ATOM 1281 NH2 ARG A 75 -0.197 -12.690 -6.972 1.00 0.00 N ATOM 0 H ARG A 75 0.635 -6.392 -6.596 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.144 -8.767 -6.777 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.454 -7.191 -8.459 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.513 -8.547 -8.129 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.233 -9.460 -8.647 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.633 -8.492 -9.978 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.074 -10.792 -10.421 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.517 -9.927 -9.929 1.00 0.00 H new ATOM 0 HE ARG A 75 1.527 -11.149 -7.850 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.562 -11.373 -9.531 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.210 -12.574 -8.409 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.672 -12.673 -6.438 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.962 -13.299 -6.682 1.00 0.00 H new ATOM 1295 N GLN A 76 1.708 -8.746 -5.228 1.00 0.00 N ATOM 1296 CA GLN A 76 2.583 -9.568 -4.374 1.00 0.00 C ATOM 1297 C GLN A 76 1.975 -9.719 -2.992 1.00 0.00 C ATOM 1298 O GLN A 76 2.043 -10.764 -2.374 1.00 0.00 O ATOM 1299 CB GLN A 76 3.881 -8.784 -4.332 1.00 0.00 C ATOM 1300 CG GLN A 76 5.045 -9.725 -4.035 1.00 0.00 C ATOM 1301 CD GLN A 76 5.370 -10.550 -5.284 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.532 -11.751 -5.206 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.476 -9.952 -6.440 1.00 0.00 N ATOM 0 H GLN A 76 1.945 -7.754 -5.258 1.00 0.00 H new ATOM 0 HA GLN A 76 2.727 -10.582 -4.747 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.043 -8.280 -5.285 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.824 -8.009 -3.567 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.920 -9.152 -3.728 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.789 -10.386 -3.207 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.340 -8.943 -6.507 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.695 -10.494 -7.276 1.00 0.00 H new ATOM 1312 N ALA A 77 1.355 -8.691 -2.519 1.00 0.00 N ATOM 1313 CA ALA A 77 0.701 -8.763 -1.190 1.00 0.00 C ATOM 1314 C ALA A 77 -0.456 -9.773 -1.233 1.00 0.00 C ATOM 1315 O ALA A 77 -1.010 -10.138 -0.215 1.00 0.00 O ATOM 1316 CB ALA A 77 0.174 -7.353 -0.925 1.00 0.00 C ATOM 0 H ALA A 77 1.269 -7.794 -2.996 1.00 0.00 H new ATOM 0 HA ALA A 77 1.386 -9.090 -0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.325 -7.327 0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.005 -6.648 -0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.535 -7.077 -1.705 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.825 -10.230 -2.408 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.940 -11.213 -2.515 1.00 0.00 C ATOM 1324 C GLY A 78 -3.280 -10.474 -2.563 1.00 0.00 C ATOM 1325 O GLY A 78 -4.223 -10.845 -1.894 1.00 0.00 O ATOM 0 H GLY A 78 -0.399 -9.961 -3.295 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.817 -11.820 -3.412 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.920 -11.894 -1.664 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.374 -9.427 -3.342 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.654 -8.670 -3.413 1.00 0.00 C ATOM 1331 C VAL A 79 -5.483 -9.097 -4.629 1.00 0.00 C ATOM 1332 O VAL A 79 -6.651 -9.409 -4.512 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.262 -7.202 -3.539 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.516 -6.330 -3.451 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.300 -6.814 -2.411 1.00 0.00 C ATOM 0 H VAL A 79 -2.622 -9.067 -3.929 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.267 -8.857 -2.531 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.770 -7.049 -4.499 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.236 -5.280 -3.541 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.200 -6.594 -4.258 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.006 -6.494 -2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.027 -5.764 -2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.786 -6.973 -1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.402 -7.430 -2.470 1.00 0.00 H new