USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 467 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.193 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= -0.2 K(o=-0.2,f=-2.8!) USER MOD Single : A 67 THR OG1 : rot 147:sc= -2.55 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.0316 F(o=-0.79,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.348 8.544 -6.570 1.00 0.00 N ATOM 21 CA VAL A 2 -7.788 7.549 -5.609 1.00 0.00 C ATOM 22 C VAL A 2 -6.738 6.673 -6.296 1.00 0.00 C ATOM 23 O VAL A 2 -7.049 5.867 -7.149 1.00 0.00 O ATOM 24 CB VAL A 2 -8.986 6.704 -5.176 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.514 5.584 -4.246 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.993 7.588 -4.436 1.00 0.00 C ATOM 0 HA VAL A 2 -7.294 8.028 -4.763 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.459 6.270 -6.057 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.369 4.982 -3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.797 4.953 -4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.040 6.018 -3.366 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.848 6.986 -4.127 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.518 8.023 -3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.331 8.386 -5.097 1.00 0.00 H new ATOM 36 N LYS A 3 -5.496 6.818 -5.926 1.00 0.00 N ATOM 37 CA LYS A 3 -4.429 5.986 -6.552 1.00 0.00 C ATOM 38 C LYS A 3 -3.414 5.550 -5.493 1.00 0.00 C ATOM 39 O LYS A 3 -3.027 6.319 -4.637 1.00 0.00 O ATOM 40 CB LYS A 3 -3.774 6.892 -7.598 1.00 0.00 C ATOM 41 CG LYS A 3 -3.202 8.141 -6.923 1.00 0.00 C ATOM 42 CD LYS A 3 -2.388 8.944 -7.941 1.00 0.00 C ATOM 43 CE LYS A 3 -1.280 8.060 -8.523 1.00 0.00 C ATOM 44 NZ LYS A 3 -0.221 9.009 -8.968 1.00 0.00 N ATOM 0 H LYS A 3 -5.173 7.477 -5.217 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.824 5.076 -7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.980 6.351 -8.114 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.506 7.179 -8.352 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.010 8.754 -6.523 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.571 7.856 -6.081 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.037 9.304 -8.739 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.954 9.822 -7.463 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.898 7.364 -7.776 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.649 7.462 -9.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.572 8.476 -9.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.612 9.655 -9.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.117 9.560 -8.153 1.00 0.00 H new ATOM 58 N ILE A 4 -2.981 4.320 -5.540 1.00 0.00 N ATOM 59 CA ILE A 4 -1.996 3.847 -4.536 1.00 0.00 C ATOM 60 C ILE A 4 -0.606 3.752 -5.173 1.00 0.00 C ATOM 61 O ILE A 4 -0.446 3.239 -6.262 1.00 0.00 O ATOM 62 CB ILE A 4 -2.510 2.486 -4.073 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.799 2.687 -3.272 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.462 1.806 -3.188 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.512 1.346 -3.097 1.00 0.00 C ATOM 0 H ILE A 4 -3.268 3.626 -6.230 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.896 4.527 -3.690 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.705 1.857 -4.941 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.569 3.118 -2.297 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.452 3.392 -3.786 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.836 0.836 -2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.541 1.668 -3.755 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.262 2.429 -2.317 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.429 1.493 -2.526 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.756 0.933 -4.076 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.860 0.654 -2.564 1.00 0.00 H new ATOM 77 N ARG A 5 0.397 4.258 -4.508 1.00 0.00 N ATOM 78 CA ARG A 5 1.771 4.213 -5.080 1.00 0.00 C ATOM 79 C ARG A 5 2.816 4.160 -3.963 1.00 0.00 C ATOM 80 O ARG A 5 2.486 4.003 -2.808 1.00 0.00 O ATOM 81 CB ARG A 5 1.906 5.501 -5.897 1.00 0.00 C ATOM 82 CG ARG A 5 1.835 6.719 -4.973 1.00 0.00 C ATOM 83 CD ARG A 5 2.952 7.699 -5.340 1.00 0.00 C ATOM 84 NE ARG A 5 3.258 8.432 -4.078 1.00 0.00 N ATOM 85 CZ ARG A 5 4.300 9.228 -3.999 1.00 0.00 C ATOM 86 NH1 ARG A 5 5.101 9.395 -5.023 1.00 0.00 N ATOM 87 NH2 ARG A 5 4.542 9.861 -2.885 1.00 0.00 N ATOM 0 H ARG A 5 0.323 4.701 -3.592 1.00 0.00 H new ATOM 0 HA ARG A 5 1.932 3.327 -5.694 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.852 5.500 -6.438 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.112 5.553 -6.642 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.864 7.205 -5.067 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.936 6.407 -3.933 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.831 7.173 -5.713 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.633 8.384 -6.126 1.00 0.00 H new ATOM 0 HE ARG A 5 2.651 8.314 -3.267 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.920 8.903 -5.898 1.00 0.00 H new ATOM 0 HH12 ARG A 5 5.906 10.017 -4.945 1.00 0.00 H new ATOM 0 HH21 ARG A 5 3.924 9.736 -2.083 1.00 0.00 H new ATOM 0 HH22 ARG A 5 5.349 10.481 -2.816 1.00 0.00 H new ATOM 101 N LEU A 6 4.073 4.304 -4.290 1.00 0.00 N ATOM 102 CA LEU A 6 5.121 4.259 -3.228 1.00 0.00 C ATOM 103 C LEU A 6 5.350 5.659 -2.652 1.00 0.00 C ATOM 104 O LEU A 6 5.596 6.605 -3.374 1.00 0.00 O ATOM 105 CB LEU A 6 6.398 3.784 -3.930 1.00 0.00 C ATOM 106 CG LEU A 6 6.151 2.448 -4.625 1.00 0.00 C ATOM 107 CD1 LEU A 6 7.210 2.230 -5.708 1.00 0.00 C ATOM 108 CD2 LEU A 6 6.230 1.315 -3.599 1.00 0.00 C ATOM 0 H LEU A 6 4.418 4.450 -5.239 1.00 0.00 H new ATOM 0 HA LEU A 6 4.831 3.603 -2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.719 4.528 -4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.204 3.681 -3.204 1.00 0.00 H new ATOM 0 HG LEU A 6 5.161 2.456 -5.082 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.032 1.276 -6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.153 3.035 -6.440 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.200 2.224 -5.253 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.053 0.361 -4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.219 1.308 -3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.474 1.468 -2.829 1.00 0.00 H new ATOM 120 N ALA A 7 5.264 5.800 -1.358 1.00 0.00 N ATOM 121 CA ALA A 7 5.471 7.138 -0.739 1.00 0.00 C ATOM 122 C ALA A 7 6.881 7.263 -0.170 1.00 0.00 C ATOM 123 O ALA A 7 7.180 6.740 0.881 1.00 0.00 O ATOM 124 CB ALA A 7 4.453 7.194 0.388 1.00 0.00 C ATOM 0 H ALA A 7 5.059 5.046 -0.703 1.00 0.00 H new ATOM 0 HA ALA A 7 5.352 7.945 -1.462 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.533 8.151 0.904 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.449 7.086 -0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.645 6.385 1.093 1.00 0.00 H new ATOM 130 N ARG A 8 7.747 7.957 -0.854 1.00 0.00 N ATOM 131 CA ARG A 8 9.138 8.113 -0.351 1.00 0.00 C ATOM 132 C ARG A 8 9.172 9.055 0.851 1.00 0.00 C ATOM 133 O ARG A 8 8.914 10.237 0.734 1.00 0.00 O ATOM 134 CB ARG A 8 9.921 8.713 -1.518 1.00 0.00 C ATOM 135 CG ARG A 8 11.420 8.639 -1.220 1.00 0.00 C ATOM 136 CD ARG A 8 12.176 9.583 -2.161 1.00 0.00 C ATOM 137 NE ARG A 8 13.570 9.053 -2.198 1.00 0.00 N ATOM 138 CZ ARG A 8 14.394 9.396 -3.162 1.00 0.00 C ATOM 139 NH1 ARG A 8 14.013 10.206 -4.118 1.00 0.00 N ATOM 140 NH2 ARG A 8 15.610 8.922 -3.167 1.00 0.00 N ATOM 0 H ARG A 8 7.551 8.423 -1.740 1.00 0.00 H new ATOM 0 HA ARG A 8 9.559 7.163 -0.020 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.695 8.172 -2.437 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.622 9.749 -1.676 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.609 8.914 -0.182 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.777 7.617 -1.349 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.730 9.590 -3.155 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.153 10.609 -1.794 1.00 0.00 H new ATOM 0 HE ARG A 8 13.887 8.417 -1.466 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.064 10.580 -4.121 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.665 10.462 -4.859 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.914 8.290 -2.426 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.256 9.183 -3.912 1.00 0.00 H new ATOM 276 N TYR A 17 9.403 3.169 0.778 1.00 0.00 N ATOM 277 CA TYR A 17 8.191 3.964 0.528 1.00 0.00 C ATOM 278 C TYR A 17 7.011 3.168 1.022 1.00 0.00 C ATOM 279 O TYR A 17 7.105 1.975 1.220 1.00 0.00 O ATOM 280 CB TYR A 17 8.028 4.110 -0.977 1.00 0.00 C ATOM 281 CG TYR A 17 9.325 4.395 -1.678 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.284 3.393 -1.819 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.545 5.660 -2.216 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.469 3.659 -2.497 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.728 5.934 -2.892 1.00 0.00 C ATOM 286 CZ TYR A 17 11.698 4.932 -3.037 1.00 0.00 C ATOM 287 OH TYR A 17 12.873 5.198 -3.711 1.00 0.00 O ATOM 0 HA TYR A 17 8.257 4.935 1.019 1.00 0.00 H new ATOM 0 HB2 TYR A 17 7.595 3.195 -1.381 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.323 4.915 -1.185 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.107 2.412 -1.403 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.795 6.430 -2.108 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.213 2.884 -2.607 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.900 6.917 -3.305 1.00 0.00 H new ATOM 0 HH TYR A 17 12.869 6.128 -4.021 1.00 0.00 H new ATOM 297 N ARG A 18 5.891 3.788 1.169 1.00 0.00 N ATOM 298 CA ARG A 18 4.708 3.020 1.585 1.00 0.00 C ATOM 299 C ARG A 18 3.782 2.906 0.394 1.00 0.00 C ATOM 300 O ARG A 18 3.844 3.696 -0.527 1.00 0.00 O ATOM 301 CB ARG A 18 4.051 3.829 2.690 1.00 0.00 C ATOM 302 CG ARG A 18 4.537 3.318 4.049 1.00 0.00 C ATOM 303 CD ARG A 18 3.331 3.021 4.943 1.00 0.00 C ATOM 304 NE ARG A 18 3.738 3.482 6.303 1.00 0.00 N ATOM 305 CZ ARG A 18 2.901 3.422 7.312 1.00 0.00 C ATOM 306 NH1 ARG A 18 1.685 2.962 7.152 1.00 0.00 N ATOM 307 NH2 ARG A 18 3.285 3.830 8.490 1.00 0.00 N ATOM 0 H ARG A 18 5.743 4.786 1.021 1.00 0.00 H new ATOM 0 HA ARG A 18 4.954 2.018 1.936 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.295 4.885 2.577 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.966 3.744 2.623 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.136 2.417 3.918 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.179 4.062 4.521 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.443 3.549 4.596 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.091 1.958 4.942 1.00 0.00 H new ATOM 0 HE ARG A 18 4.679 3.848 6.450 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.377 2.644 6.233 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.046 2.922 7.946 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.229 4.192 8.621 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.641 3.787 9.280 1.00 0.00 H new ATOM 321 N ILE A 19 2.896 1.973 0.420 1.00 0.00 N ATOM 322 CA ILE A 19 1.937 1.854 -0.686 1.00 0.00 C ATOM 323 C ILE A 19 0.715 2.561 -0.141 1.00 0.00 C ATOM 324 O ILE A 19 -0.190 1.969 0.411 1.00 0.00 O ATOM 325 CB ILE A 19 1.693 0.355 -0.931 1.00 0.00 C ATOM 326 CG1 ILE A 19 2.848 -0.507 -0.409 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.605 0.097 -2.427 1.00 0.00 C ATOM 328 CD1 ILE A 19 4.148 -0.024 -1.044 1.00 0.00 C ATOM 0 H ILE A 19 2.794 1.283 1.164 1.00 0.00 H new ATOM 0 HA ILE A 19 2.250 2.280 -1.639 1.00 0.00 H new ATOM 0 HB ILE A 19 0.772 0.094 -0.409 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.910 -0.437 0.677 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.676 -1.556 -0.652 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.432 -0.965 -2.604 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.781 0.674 -2.848 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.538 0.397 -2.903 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.978 -0.630 -0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.080 -0.116 -2.128 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.317 1.020 -0.778 1.00 0.00 H new ATOM 340 N VAL A 20 0.768 3.859 -0.196 1.00 0.00 N ATOM 341 CA VAL A 20 -0.284 4.690 0.417 1.00 0.00 C ATOM 342 C VAL A 20 -1.317 5.134 -0.621 1.00 0.00 C ATOM 343 O VAL A 20 -1.109 5.023 -1.811 1.00 0.00 O ATOM 344 CB VAL A 20 0.534 5.852 1.028 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.502 7.108 0.153 1.00 0.00 C ATOM 346 CG2 VAL A 20 -0.004 6.186 2.413 1.00 0.00 C ATOM 0 H VAL A 20 1.515 4.384 -0.651 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.891 4.179 1.165 1.00 0.00 H new ATOM 0 HB VAL A 20 1.570 5.521 1.093 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.090 7.895 0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.921 6.879 -0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.528 7.445 0.038 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.575 7.005 2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.050 6.483 2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.078 5.310 3.056 1.00 0.00 H new ATOM 356 N VAL A 21 -2.451 5.581 -0.161 1.00 0.00 N ATOM 357 CA VAL A 21 -3.543 5.972 -1.089 1.00 0.00 C ATOM 358 C VAL A 21 -3.753 7.490 -1.075 1.00 0.00 C ATOM 359 O VAL A 21 -4.166 8.062 -0.086 1.00 0.00 O ATOM 360 CB VAL A 21 -4.805 5.244 -0.568 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.540 4.621 -1.744 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.454 4.123 0.422 1.00 0.00 C ATOM 0 H VAL A 21 -2.669 5.693 0.829 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.312 5.700 -2.119 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.423 5.981 -0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.431 4.106 -1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.831 5.402 -2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.886 3.908 -2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.369 3.639 0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.817 3.389 -0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.927 4.545 1.278 1.00 0.00 H new ATOM 372 N THR A 22 -3.478 8.144 -2.172 1.00 0.00 N ATOM 373 CA THR A 22 -3.669 9.625 -2.229 1.00 0.00 C ATOM 374 C THR A 22 -4.313 10.029 -3.555 1.00 0.00 C ATOM 375 O THR A 22 -4.636 9.199 -4.382 1.00 0.00 O ATOM 376 CB THR A 22 -2.266 10.237 -2.115 1.00 0.00 C ATOM 377 OG1 THR A 22 -2.328 11.615 -2.470 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.292 9.513 -3.052 1.00 0.00 C ATOM 0 H THR A 22 -3.130 7.718 -3.031 1.00 0.00 H new ATOM 0 HA THR A 22 -4.325 9.972 -1.431 1.00 0.00 H new ATOM 0 HB THR A 22 -1.912 10.131 -1.089 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.435 12.012 -2.397 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.301 9.958 -2.961 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.243 8.458 -2.781 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.639 9.608 -4.081 1.00 0.00 H new ATOM 543 N TYR A 32 -2.219 11.738 1.627 1.00 0.00 N ATOM 544 CA TYR A 32 -3.019 10.541 1.220 1.00 0.00 C ATOM 545 C TYR A 32 -4.271 10.404 2.088 1.00 0.00 C ATOM 546 O TYR A 32 -4.378 10.990 3.148 1.00 0.00 O ATOM 547 CB TYR A 32 -2.106 9.312 1.408 1.00 0.00 C ATOM 548 CG TYR A 32 -1.250 9.451 2.652 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.839 9.383 3.921 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.131 9.649 2.532 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.047 9.513 5.068 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.923 9.779 3.679 1.00 0.00 C ATOM 553 CZ TYR A 32 0.334 9.710 4.947 1.00 0.00 C ATOM 554 OH TYR A 32 1.114 9.839 6.079 1.00 0.00 O ATOM 0 HA TYR A 32 -3.350 10.634 0.186 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.715 8.411 1.481 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.466 9.194 0.534 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.904 9.230 4.015 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.586 9.701 1.554 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.501 9.461 6.046 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.988 9.932 3.586 1.00 0.00 H new ATOM 0 HH TYR A 32 2.050 9.969 5.818 1.00 0.00 H new ATOM 564 N ILE A 33 -5.220 9.629 1.641 1.00 0.00 N ATOM 565 CA ILE A 33 -6.471 9.438 2.425 1.00 0.00 C ATOM 566 C ILE A 33 -6.216 8.461 3.580 1.00 0.00 C ATOM 567 O ILE A 33 -6.831 8.545 4.624 1.00 0.00 O ATOM 568 CB ILE A 33 -7.470 8.858 1.418 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.858 9.944 0.411 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.726 8.368 2.143 1.00 0.00 C ATOM 571 CD1 ILE A 33 -8.066 9.314 -0.967 1.00 0.00 C ATOM 0 H ILE A 33 -5.182 9.117 0.760 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.840 10.361 2.873 1.00 0.00 H new ATOM 0 HB ILE A 33 -7.008 8.017 0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.770 10.445 0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.078 10.703 0.361 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.428 7.958 1.417 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.453 7.595 2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.192 9.202 2.668 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -8.342 10.088 -1.683 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -7.143 8.833 -1.290 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.862 8.571 -0.911 1.00 0.00 H new ATOM 583 N GLU A 34 -5.312 7.540 3.398 1.00 0.00 N ATOM 584 CA GLU A 34 -5.012 6.562 4.481 1.00 0.00 C ATOM 585 C GLU A 34 -3.796 5.714 4.102 1.00 0.00 C ATOM 586 O GLU A 34 -3.244 5.849 3.028 1.00 0.00 O ATOM 587 CB GLU A 34 -6.265 5.692 4.592 1.00 0.00 C ATOM 588 CG GLU A 34 -6.736 5.664 6.047 1.00 0.00 C ATOM 589 CD GLU A 34 -8.266 5.650 6.090 1.00 0.00 C ATOM 590 OE1 GLU A 34 -8.835 4.595 5.865 1.00 0.00 O ATOM 591 OE2 GLU A 34 -8.841 6.694 6.348 1.00 0.00 O ATOM 0 H GLU A 34 -4.767 7.422 2.544 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.775 7.051 5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.053 6.086 3.951 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.050 4.680 4.248 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.340 4.783 6.551 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.355 6.535 6.580 1.00 0.00 H new ATOM 598 N LYS A 35 -3.371 4.844 4.975 1.00 0.00 N ATOM 599 CA LYS A 35 -2.189 3.990 4.664 1.00 0.00 C ATOM 600 C LYS A 35 -2.600 2.519 4.602 1.00 0.00 C ATOM 601 O LYS A 35 -3.137 1.975 5.546 1.00 0.00 O ATOM 602 CB LYS A 35 -1.220 4.220 5.824 1.00 0.00 C ATOM 603 CG LYS A 35 -0.770 5.681 5.838 1.00 0.00 C ATOM 604 CD LYS A 35 0.137 5.919 7.047 1.00 0.00 C ATOM 605 CE LYS A 35 -0.193 7.276 7.675 1.00 0.00 C ATOM 606 NZ LYS A 35 -0.449 6.981 9.112 1.00 0.00 N ATOM 0 H LYS A 35 -3.791 4.687 5.891 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.744 4.239 3.700 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.702 3.969 6.769 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.355 3.564 5.724 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.237 5.918 4.917 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.637 6.340 5.884 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.001 5.124 7.780 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.183 5.893 6.741 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.633 7.977 7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.065 7.728 7.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.682 7.863 9.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.244 6.316 9.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.401 6.558 9.536 1.00 0.00 H new ATOM 620 N ILE A 36 -2.349 1.866 3.499 1.00 0.00 N ATOM 621 CA ILE A 36 -2.730 0.426 3.397 1.00 0.00 C ATOM 622 C ILE A 36 -1.507 -0.445 3.153 1.00 0.00 C ATOM 623 O ILE A 36 -1.496 -1.613 3.495 1.00 0.00 O ATOM 624 CB ILE A 36 -3.714 0.335 2.226 1.00 0.00 C ATOM 625 CG1 ILE A 36 -3.054 0.804 0.918 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.920 1.227 2.526 1.00 0.00 C ATOM 627 CD1 ILE A 36 -2.200 -0.319 0.328 1.00 0.00 C ATOM 0 H ILE A 36 -1.902 2.261 2.672 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.181 0.067 4.322 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.024 -0.703 2.105 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.820 1.103 0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.435 1.681 1.108 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.628 1.171 1.700 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.404 0.889 3.442 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.588 2.258 2.650 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.737 0.024 -0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.423 -0.598 1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.830 -1.184 0.120 1.00 0.00 H new ATOM 639 N GLY A 37 -0.487 0.090 2.553 1.00 0.00 N ATOM 640 CA GLY A 37 0.706 -0.746 2.285 1.00 0.00 C ATOM 641 C GLY A 37 1.993 -0.101 2.797 1.00 0.00 C ATOM 642 O GLY A 37 2.062 1.081 3.072 1.00 0.00 O ATOM 0 H GLY A 37 -0.428 1.059 2.240 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.578 -1.720 2.757 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.791 -0.920 1.212 1.00 0.00 H new ATOM 646 N TYR A 38 3.034 -0.892 2.859 1.00 0.00 N ATOM 647 CA TYR A 38 4.377 -0.391 3.273 1.00 0.00 C ATOM 648 C TYR A 38 5.425 -1.079 2.389 1.00 0.00 C ATOM 649 O TYR A 38 5.326 -2.264 2.130 1.00 0.00 O ATOM 650 CB TYR A 38 4.541 -0.810 4.735 1.00 0.00 C ATOM 651 CG TYR A 38 5.956 -0.520 5.190 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.982 -1.434 4.913 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.241 0.658 5.890 1.00 0.00 C ATOM 654 CE1 TYR A 38 8.290 -1.169 5.339 1.00 0.00 C ATOM 655 CE2 TYR A 38 7.549 0.922 6.314 1.00 0.00 C ATOM 656 CZ TYR A 38 8.573 0.009 6.039 1.00 0.00 C ATOM 657 OH TYR A 38 9.862 0.270 6.459 1.00 0.00 O ATOM 0 H TYR A 38 3.007 -1.887 2.634 1.00 0.00 H new ATOM 0 HA TYR A 38 4.489 0.688 3.169 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.829 -0.271 5.360 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.323 -1.872 4.846 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.764 -2.342 4.371 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.452 1.364 6.103 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.080 -1.874 5.127 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.768 1.831 6.854 1.00 0.00 H new ATOM 0 HH TYR A 38 9.885 1.130 6.929 1.00 0.00 H new ATOM 667 N TYR A 39 6.426 -0.377 1.921 1.00 0.00 N ATOM 668 CA TYR A 39 7.444 -1.061 1.065 1.00 0.00 C ATOM 669 C TYR A 39 8.861 -0.686 1.520 1.00 0.00 C ATOM 670 O TYR A 39 9.155 0.466 1.763 1.00 0.00 O ATOM 671 CB TYR A 39 7.214 -0.573 -0.369 1.00 0.00 C ATOM 672 CG TYR A 39 8.314 -1.094 -1.281 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.870 -2.365 -1.063 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.772 -0.307 -2.344 1.00 0.00 C ATOM 675 CE1 TYR A 39 9.878 -2.845 -1.907 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.781 -0.790 -3.187 1.00 0.00 C ATOM 677 CZ TYR A 39 10.333 -2.057 -2.969 1.00 0.00 C ATOM 678 OH TYR A 39 11.324 -2.531 -3.804 1.00 0.00 O ATOM 0 H TYR A 39 6.582 0.617 2.089 1.00 0.00 H new ATOM 0 HA TYR A 39 7.346 -2.144 1.136 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.242 -0.915 -0.726 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.197 0.517 -0.392 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.519 -2.973 -0.242 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.348 0.672 -2.514 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.304 -3.823 -1.738 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.134 -0.183 -4.007 1.00 0.00 H new ATOM 0 HH TYR A 39 11.522 -1.860 -4.490 1.00 0.00 H new ATOM 688 N ASP A 40 9.744 -1.640 1.623 1.00 0.00 N ATOM 689 CA ASP A 40 11.138 -1.312 2.047 1.00 0.00 C ATOM 690 C ASP A 40 12.149 -2.151 1.252 1.00 0.00 C ATOM 691 O ASP A 40 12.439 -3.271 1.619 1.00 0.00 O ATOM 692 CB ASP A 40 11.194 -1.667 3.533 1.00 0.00 C ATOM 693 CG ASP A 40 12.616 -1.458 4.056 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.332 -0.664 3.468 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.964 -2.096 5.035 1.00 0.00 O ATOM 0 H ASP A 40 9.565 -2.626 1.434 1.00 0.00 H new ATOM 0 HA ASP A 40 11.388 -0.266 1.868 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.495 -1.046 4.092 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.889 -2.703 3.682 1.00 0.00 H new ATOM 838 N LEU A 49 7.947 -6.667 1.822 1.00 0.00 N ATOM 839 CA LEU A 49 6.621 -6.031 1.572 1.00 0.00 C ATOM 840 C LEU A 49 5.682 -6.260 2.757 1.00 0.00 C ATOM 841 O LEU A 49 5.566 -7.353 3.277 1.00 0.00 O ATOM 842 CB LEU A 49 6.084 -6.740 0.330 1.00 0.00 C ATOM 843 CG LEU A 49 4.836 -6.017 -0.176 1.00 0.00 C ATOM 844 CD1 LEU A 49 4.941 -5.814 -1.687 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.598 -6.860 0.143 1.00 0.00 C ATOM 0 HA LEU A 49 6.701 -4.952 1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.847 -6.758 -0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.845 -7.777 0.566 1.00 0.00 H new ATOM 0 HG LEU A 49 4.752 -5.047 0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.051 -5.298 -2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.824 -5.216 -1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.024 -6.783 -2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.706 -6.347 -0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.682 -7.830 -0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.524 -7.004 1.221 1.00 0.00 H new ATOM 857 N LYS A 50 5.005 -5.232 3.178 1.00 0.00 N ATOM 858 CA LYS A 50 4.060 -5.367 4.317 1.00 0.00 C ATOM 859 C LYS A 50 2.778 -4.599 3.996 1.00 0.00 C ATOM 860 O LYS A 50 2.631 -3.445 4.351 1.00 0.00 O ATOM 861 CB LYS A 50 4.786 -4.736 5.503 1.00 0.00 C ATOM 862 CG LYS A 50 4.225 -5.298 6.807 1.00 0.00 C ATOM 863 CD LYS A 50 4.561 -4.345 7.955 1.00 0.00 C ATOM 864 CE LYS A 50 3.270 -3.748 8.515 1.00 0.00 C ATOM 865 NZ LYS A 50 3.622 -3.297 9.889 1.00 0.00 N ATOM 0 H LYS A 50 5.066 -4.296 2.778 1.00 0.00 H new ATOM 0 HA LYS A 50 3.780 -6.400 4.522 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.855 -4.940 5.438 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.666 -3.653 5.481 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.145 -5.423 6.727 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.647 -6.284 7.003 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.098 -4.878 8.739 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.219 -3.551 7.602 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.921 -2.916 7.903 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.469 -4.487 8.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.786 -2.875 10.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.944 -4.111 10.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.382 -2.589 9.838 1.00 0.00 H new ATOM 879 N VAL A 51 1.855 -5.218 3.308 1.00 0.00 N ATOM 880 CA VAL A 51 0.600 -4.498 2.954 1.00 0.00 C ATOM 881 C VAL A 51 -0.617 -5.166 3.586 1.00 0.00 C ATOM 882 O VAL A 51 -0.805 -6.363 3.502 1.00 0.00 O ATOM 883 CB VAL A 51 0.524 -4.547 1.404 1.00 0.00 C ATOM 884 CG1 VAL A 51 -0.927 -4.686 0.903 1.00 0.00 C ATOM 885 CG2 VAL A 51 1.084 -3.252 0.836 1.00 0.00 C ATOM 0 H VAL A 51 1.916 -6.182 2.979 1.00 0.00 H new ATOM 0 HA VAL A 51 0.605 -3.474 3.326 1.00 0.00 H new ATOM 0 HB VAL A 51 1.097 -5.414 1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.934 -4.716 -0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.361 -5.606 1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.514 -3.834 1.246 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.033 -3.280 -0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.499 -2.410 1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.122 -3.137 1.148 1.00 0.00 H new ATOM 895 N ASP A 52 -1.479 -4.379 4.154 1.00 0.00 N ATOM 896 CA ASP A 52 -2.723 -4.940 4.718 1.00 0.00 C ATOM 897 C ASP A 52 -3.683 -5.127 3.548 1.00 0.00 C ATOM 898 O ASP A 52 -4.623 -4.374 3.388 1.00 0.00 O ATOM 899 CB ASP A 52 -3.240 -3.879 5.692 1.00 0.00 C ATOM 900 CG ASP A 52 -3.956 -4.561 6.858 1.00 0.00 C ATOM 901 OD1 ASP A 52 -3.275 -5.147 7.684 1.00 0.00 O ATOM 902 OD2 ASP A 52 -5.173 -4.486 6.907 1.00 0.00 O ATOM 0 H ASP A 52 -1.373 -3.369 4.251 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.598 -5.893 5.232 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.411 -3.276 6.063 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.922 -3.201 5.179 1.00 0.00 H new ATOM 907 N VAL A 53 -3.400 -6.098 2.698 1.00 0.00 N ATOM 908 CA VAL A 53 -4.237 -6.353 1.469 1.00 0.00 C ATOM 909 C VAL A 53 -5.714 -5.994 1.696 1.00 0.00 C ATOM 910 O VAL A 53 -6.369 -5.505 0.804 1.00 0.00 O ATOM 911 CB VAL A 53 -4.034 -7.853 1.085 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.707 -8.721 2.305 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.288 -8.420 0.401 1.00 0.00 C ATOM 0 H VAL A 53 -2.611 -6.735 2.807 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.920 -5.712 0.646 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.189 -7.882 0.397 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.574 -9.756 1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.789 -8.363 2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.525 -8.662 3.023 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.121 -9.466 0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.138 -8.345 1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.496 -7.852 -0.506 1.00 0.00 H new ATOM 923 N GLU A 54 -6.241 -6.201 2.870 1.00 0.00 N ATOM 924 CA GLU A 54 -7.662 -5.825 3.094 1.00 0.00 C ATOM 925 C GLU A 54 -7.825 -4.326 2.842 1.00 0.00 C ATOM 926 O GLU A 54 -8.641 -3.903 2.047 1.00 0.00 O ATOM 927 CB GLU A 54 -7.958 -6.178 4.553 1.00 0.00 C ATOM 928 CG GLU A 54 -8.132 -7.693 4.686 1.00 0.00 C ATOM 929 CD GLU A 54 -9.612 -8.025 4.884 1.00 0.00 C ATOM 930 OE1 GLU A 54 -10.391 -7.717 3.997 1.00 0.00 O ATOM 931 OE2 GLU A 54 -9.942 -8.580 5.918 1.00 0.00 O ATOM 0 H GLU A 54 -5.758 -6.607 3.671 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.348 -6.345 2.426 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.144 -5.837 5.193 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.861 -5.667 4.886 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.753 -8.192 3.794 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.550 -8.063 5.530 1.00 0.00 H new ATOM 938 N ARG A 55 -7.036 -3.524 3.497 1.00 0.00 N ATOM 939 CA ARG A 55 -7.118 -2.056 3.282 1.00 0.00 C ATOM 940 C ARG A 55 -6.601 -1.723 1.883 1.00 0.00 C ATOM 941 O ARG A 55 -7.169 -0.924 1.170 1.00 0.00 O ATOM 942 CB ARG A 55 -6.204 -1.447 4.346 1.00 0.00 C ATOM 943 CG ARG A 55 -7.037 -0.984 5.541 1.00 0.00 C ATOM 944 CD ARG A 55 -7.476 0.463 5.324 1.00 0.00 C ATOM 945 NE ARG A 55 -8.781 0.357 4.613 1.00 0.00 N ATOM 946 CZ ARG A 55 -9.883 0.064 5.267 1.00 0.00 C ATOM 947 NH1 ARG A 55 -9.868 -0.131 6.562 1.00 0.00 N ATOM 948 NH2 ARG A 55 -11.008 -0.036 4.615 1.00 0.00 N ATOM 0 H ARG A 55 -6.335 -3.824 4.175 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.136 -1.674 3.359 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.466 -2.182 4.668 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.653 -0.605 3.927 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.910 -1.626 5.661 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.454 -1.065 6.458 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.582 0.991 6.271 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.746 1.014 4.732 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.820 0.514 3.606 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.992 -0.056 7.079 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.732 -0.358 7.054 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.028 0.113 3.606 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.868 -0.263 5.114 1.00 0.00 H new ATOM 962 N ALA A 56 -5.539 -2.353 1.472 1.00 0.00 N ATOM 963 CA ALA A 56 -5.002 -2.093 0.118 1.00 0.00 C ATOM 964 C ALA A 56 -6.031 -2.573 -0.911 1.00 0.00 C ATOM 965 O ALA A 56 -6.043 -2.138 -2.048 1.00 0.00 O ATOM 966 CB ALA A 56 -3.699 -2.897 0.057 1.00 0.00 C ATOM 0 H ALA A 56 -5.020 -3.039 2.021 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.811 -1.041 -0.093 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.233 -2.760 -0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.020 -2.549 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.916 -3.954 0.211 1.00 0.00 H new ATOM 972 N ARG A 57 -6.921 -3.451 -0.507 1.00 0.00 N ATOM 973 CA ARG A 57 -7.961 -3.932 -1.449 1.00 0.00 C ATOM 974 C ARG A 57 -9.169 -2.990 -1.400 1.00 0.00 C ATOM 975 O ARG A 57 -9.925 -2.883 -2.346 1.00 0.00 O ATOM 976 CB ARG A 57 -8.342 -5.336 -0.973 1.00 0.00 C ATOM 977 CG ARG A 57 -9.419 -5.914 -1.896 1.00 0.00 C ATOM 978 CD ARG A 57 -9.241 -7.431 -2.001 1.00 0.00 C ATOM 979 NE ARG A 57 -8.771 -7.670 -3.397 1.00 0.00 N ATOM 980 CZ ARG A 57 -9.580 -7.496 -4.417 1.00 0.00 C ATOM 981 NH1 ARG A 57 -10.817 -7.104 -4.238 1.00 0.00 N ATOM 982 NH2 ARG A 57 -9.144 -7.718 -5.628 1.00 0.00 N ATOM 0 H ARG A 57 -6.965 -3.848 0.431 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.607 -3.955 -2.480 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.464 -5.982 -0.972 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.710 -5.297 0.052 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.410 -5.679 -1.508 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.348 -5.460 -2.884 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.516 -7.794 -1.273 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.178 -7.953 -1.805 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.811 -7.972 -3.561 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.165 -6.929 -3.295 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.432 -6.974 -5.041 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.182 -8.024 -5.776 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.765 -7.585 -6.426 1.00 0.00 H new ATOM 996 N TYR A 58 -9.334 -2.278 -0.312 1.00 0.00 N ATOM 997 CA TYR A 58 -10.459 -1.310 -0.203 1.00 0.00 C ATOM 998 C TYR A 58 -10.285 -0.300 -1.314 1.00 0.00 C ATOM 999 O TYR A 58 -11.201 0.087 -2.012 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.242 -0.628 1.152 1.00 0.00 C ATOM 1001 CG TYR A 58 -11.002 0.686 1.231 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.281 0.790 0.676 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.418 1.801 1.855 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.980 2.001 0.743 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -11.118 3.011 1.921 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.400 3.110 1.367 1.00 0.00 C ATOM 1007 OH TYR A 58 -13.089 4.304 1.434 1.00 0.00 O ATOM 0 H TYR A 58 -8.731 -2.330 0.509 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.448 -1.762 -0.277 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.571 -1.290 1.953 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.178 -0.446 1.305 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.731 -0.066 0.195 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.430 1.724 2.283 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.967 2.079 0.313 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.669 3.869 2.400 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.543 4.971 1.901 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.079 0.126 -1.436 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.721 1.129 -2.452 1.00 0.00 C ATOM 1019 C TRP A 59 -8.918 0.540 -3.833 1.00 0.00 C ATOM 1020 O TRP A 59 -9.653 1.066 -4.646 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.275 1.465 -2.117 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.356 2.147 -0.802 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.826 1.728 0.367 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.108 3.338 -0.510 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.194 2.624 1.362 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -7.985 3.640 0.859 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.868 4.182 -1.322 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.608 4.758 1.414 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.498 5.306 -0.776 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.370 5.596 0.590 1.00 0.00 C ATOM 0 H TRP A 59 -8.300 -0.188 -0.857 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.333 2.031 -2.450 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.660 0.567 -2.063 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.830 2.111 -2.874 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.219 0.846 0.505 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.916 2.543 2.340 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.970 3.967 -2.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.504 4.975 2.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.086 5.953 -1.410 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.858 6.465 1.006 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.326 -0.581 -4.087 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.544 -1.236 -5.402 1.00 0.00 C ATOM 1043 C LEU A 60 -10.052 -1.462 -5.592 1.00 0.00 C ATOM 1044 O LEU A 60 -10.533 -1.626 -6.696 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.808 -2.572 -5.314 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.320 -2.353 -5.580 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.513 -3.461 -4.904 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.063 -2.386 -7.086 1.00 0.00 C ATOM 0 H LEU A 60 -7.703 -1.074 -3.448 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.183 -0.642 -6.241 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.951 -3.014 -4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.219 -3.274 -6.040 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.018 -1.386 -5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.451 -3.305 -5.094 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.697 -3.441 -3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.815 -4.428 -5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.001 -2.230 -7.277 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.365 -3.354 -7.486 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.639 -1.598 -7.571 1.00 0.00 H new ATOM 1060 N SER A 61 -10.798 -1.471 -4.511 1.00 0.00 N ATOM 1061 CA SER A 61 -12.268 -1.685 -4.612 1.00 0.00 C ATOM 1062 C SER A 61 -12.985 -0.383 -5.005 1.00 0.00 C ATOM 1063 O SER A 61 -14.071 -0.409 -5.548 1.00 0.00 O ATOM 1064 CB SER A 61 -12.689 -2.155 -3.214 1.00 0.00 C ATOM 1065 OG SER A 61 -13.904 -1.519 -2.831 1.00 0.00 O ATOM 0 H SER A 61 -10.446 -1.338 -3.563 1.00 0.00 H new ATOM 0 HA SER A 61 -12.530 -2.412 -5.381 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.818 -3.237 -3.209 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.905 -1.924 -2.493 1.00 0.00 H new ATOM 0 HG SER A 61 -14.166 -1.826 -1.938 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.393 0.754 -4.741 1.00 0.00 N ATOM 1072 CA VAL A 62 -13.055 2.032 -5.110 1.00 0.00 C ATOM 1073 C VAL A 62 -12.467 2.553 -6.419 1.00 0.00 C ATOM 1074 O VAL A 62 -12.361 3.742 -6.642 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.752 3.003 -3.967 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -13.327 2.474 -2.651 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.241 3.160 -3.824 1.00 0.00 C ATOM 0 H VAL A 62 -11.484 0.848 -4.288 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.129 1.911 -5.254 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.209 3.966 -4.194 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -13.103 3.176 -1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.407 2.362 -2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.881 1.506 -2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.022 3.851 -3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.793 2.190 -3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.826 3.551 -4.753 1.00 0.00 H new ATOM 1087 N GLY A 63 -12.089 1.659 -7.281 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.508 2.074 -8.588 1.00 0.00 C ATOM 1089 C GLY A 63 -10.140 2.725 -8.373 1.00 0.00 C ATOM 1090 O GLY A 63 -9.732 3.589 -9.124 1.00 0.00 O ATOM 0 H GLY A 63 -12.157 0.651 -7.139 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.408 1.208 -9.242 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.178 2.774 -9.087 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.421 2.319 -7.358 1.00 0.00 N ATOM 1095 CA ALA A 64 -8.083 2.921 -7.116 1.00 0.00 C ATOM 1096 C ALA A 64 -7.111 2.504 -8.223 1.00 0.00 C ATOM 1097 O ALA A 64 -7.188 1.410 -8.748 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.627 2.365 -5.769 1.00 0.00 C ATOM 0 H ALA A 64 -9.704 1.600 -6.692 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.118 4.010 -7.112 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.644 2.767 -5.524 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.340 2.653 -4.996 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.571 1.278 -5.824 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.202 3.364 -8.580 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.229 3.015 -9.653 1.00 0.00 C ATOM 1106 C GLN A 65 -3.833 2.789 -9.053 1.00 0.00 C ATOM 1107 O GLN A 65 -3.169 3.732 -8.668 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.225 4.226 -10.584 1.00 0.00 C ATOM 1109 CG GLN A 65 -6.224 3.996 -11.720 1.00 0.00 C ATOM 1110 CD GLN A 65 -7.624 4.405 -11.258 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -7.769 5.181 -10.335 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -8.668 3.911 -11.865 1.00 0.00 N ATOM 0 H GLN A 65 -6.089 4.294 -8.176 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.498 2.097 -10.176 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.489 5.126 -10.029 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.226 4.383 -10.990 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.935 4.576 -12.596 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.219 2.947 -12.016 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.546 3.259 -12.640 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.606 4.177 -11.564 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.426 1.542 -8.989 1.00 0.00 N ATOM 1122 CA PRO A 66 -2.094 1.212 -8.430 1.00 0.00 C ATOM 1123 C PRO A 66 -1.001 1.488 -9.467 1.00 0.00 C ATOM 1124 O PRO A 66 -1.083 1.050 -10.597 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.186 -0.282 -8.146 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.221 -0.800 -9.094 1.00 0.00 C ATOM 1127 CD PRO A 66 -4.157 0.339 -9.415 1.00 0.00 C ATOM 0 HA PRO A 66 -1.844 1.800 -7.547 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.226 -0.773 -8.305 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.472 -0.469 -7.111 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.753 -1.178 -10.003 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.768 -1.631 -8.647 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.392 0.373 -10.479 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.103 0.239 -8.882 1.00 0.00 H new ATOM 1135 N THR A 67 0.024 2.203 -9.095 1.00 0.00 N ATOM 1136 CA THR A 67 1.118 2.492 -10.067 1.00 0.00 C ATOM 1137 C THR A 67 1.646 1.182 -10.663 1.00 0.00 C ATOM 1138 O THR A 67 1.250 0.106 -10.265 1.00 0.00 O ATOM 1139 CB THR A 67 2.216 3.199 -9.260 1.00 0.00 C ATOM 1140 OG1 THR A 67 2.074 2.897 -7.878 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.108 4.711 -9.465 1.00 0.00 C ATOM 0 H THR A 67 0.152 2.599 -8.164 1.00 0.00 H new ATOM 0 HA THR A 67 0.775 3.110 -10.896 1.00 0.00 H new ATOM 0 HB THR A 67 3.190 2.852 -9.604 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.959 2.865 -7.458 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.888 5.213 -8.892 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.228 4.944 -10.523 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.131 5.055 -9.127 1.00 0.00 H new ATOM 1149 N ASP A 68 2.536 1.265 -11.613 1.00 0.00 N ATOM 1150 CA ASP A 68 3.083 0.021 -12.230 1.00 0.00 C ATOM 1151 C ASP A 68 3.913 -0.764 -11.209 1.00 0.00 C ATOM 1152 O ASP A 68 4.212 -1.926 -11.403 1.00 0.00 O ATOM 1153 CB ASP A 68 3.965 0.505 -13.383 1.00 0.00 C ATOM 1154 CG ASP A 68 4.017 -0.568 -14.472 1.00 0.00 C ATOM 1155 OD1 ASP A 68 3.090 -0.627 -15.263 1.00 0.00 O ATOM 1156 OD2 ASP A 68 4.985 -1.311 -14.497 1.00 0.00 O ATOM 0 H ASP A 68 2.908 2.137 -11.989 1.00 0.00 H new ATOM 0 HA ASP A 68 2.294 -0.648 -12.573 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.569 1.434 -13.792 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.970 0.719 -13.021 1.00 0.00 H new ATOM 1161 N THR A 69 4.286 -0.142 -10.125 1.00 0.00 N ATOM 1162 CA THR A 69 5.092 -0.855 -9.095 1.00 0.00 C ATOM 1163 C THR A 69 4.229 -1.179 -7.880 1.00 0.00 C ATOM 1164 O THR A 69 4.248 -2.278 -7.364 1.00 0.00 O ATOM 1165 CB THR A 69 6.175 0.128 -8.705 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.914 0.511 -9.857 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.108 -0.513 -7.677 1.00 0.00 C ATOM 0 H THR A 69 4.067 0.830 -9.908 1.00 0.00 H new ATOM 0 HA THR A 69 5.495 -1.797 -9.468 1.00 0.00 H new ATOM 0 HB THR A 69 5.715 1.014 -8.266 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.613 1.148 -9.600 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.886 0.198 -7.399 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.537 -0.791 -6.791 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.567 -1.403 -8.107 1.00 0.00 H new ATOM 1175 N ALA A 70 3.456 -0.230 -7.425 1.00 0.00 N ATOM 1176 CA ALA A 70 2.583 -0.491 -6.258 1.00 0.00 C ATOM 1177 C ALA A 70 1.592 -1.570 -6.644 1.00 0.00 C ATOM 1178 O ALA A 70 1.095 -2.304 -5.814 1.00 0.00 O ATOM 1179 CB ALA A 70 1.873 0.830 -5.973 1.00 0.00 C ATOM 0 H ALA A 70 3.395 0.711 -7.814 1.00 0.00 H new ATOM 0 HA ALA A 70 3.128 -0.830 -5.377 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.208 0.709 -5.118 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.612 1.600 -5.752 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.291 1.126 -6.846 1.00 0.00 H new ATOM 1185 N ARG A 71 1.327 -1.696 -7.916 1.00 0.00 N ATOM 1186 CA ARG A 71 0.408 -2.750 -8.358 1.00 0.00 C ATOM 1187 C ARG A 71 1.125 -4.074 -8.153 1.00 0.00 C ATOM 1188 O ARG A 71 0.555 -5.045 -7.698 1.00 0.00 O ATOM 1189 CB ARG A 71 0.153 -2.479 -9.843 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.603 -3.660 -10.461 1.00 0.00 C ATOM 1191 CD ARG A 71 -1.066 -3.290 -11.873 1.00 0.00 C ATOM 1192 NE ARG A 71 -0.384 -4.268 -12.771 1.00 0.00 N ATOM 1193 CZ ARG A 71 -0.774 -4.424 -14.015 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -1.779 -3.738 -14.497 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -0.154 -5.280 -14.783 1.00 0.00 N ATOM 0 H ARG A 71 1.712 -1.110 -8.657 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.538 -2.775 -7.816 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.425 -1.563 -9.961 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.099 -2.328 -10.363 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.041 -4.539 -10.497 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.462 -3.919 -9.842 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.150 -3.360 -11.964 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.790 -2.266 -12.123 1.00 0.00 H new ATOM 0 HE ARG A 71 0.395 -4.822 -12.414 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.272 -3.070 -13.904 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.069 -3.871 -15.466 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.628 -5.822 -14.415 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.452 -5.406 -15.750 1.00 0.00 H new ATOM 1209 N ARG A 72 2.397 -4.101 -8.458 1.00 0.00 N ATOM 1210 CA ARG A 72 3.169 -5.346 -8.258 1.00 0.00 C ATOM 1211 C ARG A 72 3.232 -5.655 -6.765 1.00 0.00 C ATOM 1212 O ARG A 72 3.088 -6.786 -6.343 1.00 0.00 O ATOM 1213 CB ARG A 72 4.562 -5.053 -8.813 1.00 0.00 C ATOM 1214 CG ARG A 72 4.943 -6.138 -9.820 1.00 0.00 C ATOM 1215 CD ARG A 72 6.448 -6.399 -9.747 1.00 0.00 C ATOM 1216 NE ARG A 72 6.570 -7.809 -9.278 1.00 0.00 N ATOM 1217 CZ ARG A 72 6.206 -8.808 -10.047 1.00 0.00 C ATOM 1218 NH1 ARG A 72 5.732 -8.593 -11.250 1.00 0.00 N ATOM 1219 NH2 ARG A 72 6.318 -10.031 -9.610 1.00 0.00 N ATOM 0 H ARG A 72 2.925 -3.314 -8.835 1.00 0.00 H new ATOM 0 HA ARG A 72 2.723 -6.207 -8.755 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.576 -4.074 -9.293 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.290 -5.021 -8.002 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.394 -7.055 -9.607 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.666 -5.827 -10.827 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.920 -6.264 -10.720 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.936 -5.710 -9.058 1.00 0.00 H new ATOM 0 HE ARG A 72 6.941 -8.000 -8.347 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.642 -7.639 -11.600 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.453 -9.380 -11.836 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.687 -10.207 -8.675 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.037 -10.812 -10.203 1.00 0.00 H new ATOM 1233 N LEU A 73 3.423 -4.646 -5.961 1.00 0.00 N ATOM 1234 CA LEU A 73 3.468 -4.861 -4.499 1.00 0.00 C ATOM 1235 C LEU A 73 2.091 -5.313 -4.041 1.00 0.00 C ATOM 1236 O LEU A 73 1.957 -6.121 -3.146 1.00 0.00 O ATOM 1237 CB LEU A 73 3.836 -3.504 -3.892 1.00 0.00 C ATOM 1238 CG LEU A 73 5.149 -3.004 -4.501 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.239 -1.485 -4.350 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.326 -3.650 -3.775 1.00 0.00 C ATOM 0 H LEU A 73 3.550 -3.679 -6.261 1.00 0.00 H new ATOM 0 HA LEU A 73 4.189 -5.621 -4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.040 -2.783 -4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.937 -3.594 -2.810 1.00 0.00 H new ATOM 0 HG LEU A 73 5.179 -3.269 -5.558 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.174 -1.131 -4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.400 -1.018 -4.865 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.207 -1.222 -3.293 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.261 -3.294 -4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.292 -3.384 -2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.267 -4.733 -3.879 1.00 0.00 H new ATOM 1252 N LEU A 74 1.064 -4.833 -4.685 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.296 -5.284 -4.321 1.00 0.00 C ATOM 1254 C LEU A 74 -0.412 -6.749 -4.734 1.00 0.00 C ATOM 1255 O LEU A 74 -1.144 -7.525 -4.153 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.244 -4.399 -5.125 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.385 -3.046 -4.425 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.148 -2.080 -5.330 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -2.151 -3.233 -3.114 1.00 0.00 C ATOM 0 H LEU A 74 1.113 -4.152 -5.443 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.523 -5.208 -3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.861 -4.261 -6.136 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.219 -4.878 -5.216 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.396 -2.638 -4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.248 -1.116 -4.831 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.603 -1.950 -6.265 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.138 -2.484 -5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.254 -2.271 -2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.140 -3.639 -3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.606 -3.922 -2.469 1.00 0.00 H new ATOM 1271 N ARG A 75 0.355 -7.131 -5.724 1.00 0.00 N ATOM 1272 CA ARG A 75 0.361 -8.537 -6.179 1.00 0.00 C ATOM 1273 C ARG A 75 1.203 -9.350 -5.204 1.00 0.00 C ATOM 1274 O ARG A 75 0.992 -10.529 -5.003 1.00 0.00 O ATOM 1275 CB ARG A 75 1.028 -8.501 -7.556 1.00 0.00 C ATOM 1276 CG ARG A 75 0.151 -9.222 -8.578 1.00 0.00 C ATOM 1277 CD ARG A 75 1.041 -9.952 -9.586 1.00 0.00 C ATOM 1278 NE ARG A 75 0.115 -10.838 -10.350 1.00 0.00 N ATOM 1279 CZ ARG A 75 0.581 -11.779 -11.138 1.00 0.00 C ATOM 1280 NH1 ARG A 75 1.870 -11.967 -11.274 1.00 0.00 N ATOM 1281 NH2 ARG A 75 -0.251 -12.536 -11.796 1.00 0.00 N ATOM 0 H ARG A 75 0.983 -6.513 -6.238 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.633 -8.982 -6.228 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.188 -7.468 -7.865 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.009 -8.974 -7.507 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.505 -9.932 -8.074 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.490 -8.506 -9.093 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.548 -9.249 -10.246 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.815 -10.531 -9.082 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.893 -10.711 -10.259 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.528 -11.378 -10.764 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.216 -12.703 -11.890 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.256 -12.395 -11.697 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.103 -13.269 -12.410 1.00 0.00 H new ATOM 1295 N GLN A 76 2.165 -8.710 -4.593 1.00 0.00 N ATOM 1296 CA GLN A 76 3.033 -9.411 -3.630 1.00 0.00 C ATOM 1297 C GLN A 76 2.337 -9.515 -2.290 1.00 0.00 C ATOM 1298 O GLN A 76 2.421 -10.510 -1.597 1.00 0.00 O ATOM 1299 CB GLN A 76 4.267 -8.531 -3.547 1.00 0.00 C ATOM 1300 CG GLN A 76 5.407 -9.300 -2.888 1.00 0.00 C ATOM 1301 CD GLN A 76 6.304 -9.899 -3.973 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.778 -10.252 -5.115 1.00 0.00 O flip ATOM 1303 NE2 GLN A 76 7.495 -10.045 -3.780 1.00 0.00 N flip ATOM 0 H GLN A 76 2.380 -7.722 -4.728 1.00 0.00 H new ATOM 0 HA GLN A 76 3.277 -10.431 -3.926 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.563 -8.209 -4.545 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.045 -7.631 -2.974 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.986 -8.636 -2.246 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.008 -10.090 -2.252 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.905 -9.769 -2.888 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.085 -10.444 -4.510 1.00 0.00 H new ATOM 1312 N ALA A 77 1.630 -8.498 -1.940 1.00 0.00 N ATOM 1313 CA ALA A 77 0.889 -8.515 -0.658 1.00 0.00 C ATOM 1314 C ALA A 77 -0.261 -9.532 -0.727 1.00 0.00 C ATOM 1315 O ALA A 77 -0.913 -9.810 0.259 1.00 0.00 O ATOM 1316 CB ALA A 77 0.344 -7.097 -0.495 1.00 0.00 C ATOM 0 H ALA A 77 1.529 -7.644 -2.488 1.00 0.00 H new ATOM 0 HA ALA A 77 1.521 -8.805 0.182 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.220 -7.029 0.436 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.173 -6.389 -0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.311 -6.860 -1.334 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.516 -10.087 -1.888 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.623 -11.077 -2.018 1.00 0.00 C ATOM 1324 C GLY A 78 -2.959 -10.334 -2.047 1.00 0.00 C ATOM 1325 O GLY A 78 -3.885 -10.680 -1.342 1.00 0.00 O ATOM 0 H GLY A 78 -0.004 -9.895 -2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.499 -11.662 -2.929 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.601 -11.778 -1.183 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.061 -9.304 -2.845 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.329 -8.530 -2.901 1.00 0.00 C ATOM 1331 C VAL A 79 -5.257 -9.041 -4.011 1.00 0.00 C ATOM 1332 O VAL A 79 -6.389 -9.402 -3.762 1.00 0.00 O ATOM 1333 CB VAL A 79 -3.906 -7.095 -3.177 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.147 -6.208 -3.273 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.013 -6.596 -2.040 1.00 0.00 C ATOM 0 H VAL A 79 -2.319 -8.968 -3.459 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.892 -8.626 -1.973 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.354 -7.055 -4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.845 -5.180 -3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.785 -6.561 -4.083 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.698 -6.250 -2.333 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.711 -5.568 -2.239 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.564 -6.637 -1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.127 -7.227 -1.969 1.00 0.00 H new