USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 467 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.184 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= -0.491 K(o=-0.49,f=-1.9) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.41! USER MOD Single : A 76 GLN : amide:sc= -0.443 X(o=-0.44,f=-0.082) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.618 7.812 -7.492 1.00 0.00 N ATOM 21 CA VAL A 2 -7.629 7.516 -6.415 1.00 0.00 C ATOM 22 C VAL A 2 -6.477 6.677 -6.974 1.00 0.00 C ATOM 23 O VAL A 2 -6.656 5.887 -7.879 1.00 0.00 O ATOM 24 CB VAL A 2 -8.410 6.726 -5.368 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.463 6.295 -4.247 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.518 7.609 -4.790 1.00 0.00 C ATOM 0 HA VAL A 2 -7.189 8.421 -5.996 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.852 5.843 -5.830 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.019 5.731 -3.498 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.672 5.669 -4.660 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.023 7.178 -3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.078 7.048 -4.042 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.076 8.491 -4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.191 7.919 -5.590 1.00 0.00 H new ATOM 36 N LYS A 3 -5.293 6.845 -6.448 1.00 0.00 N ATOM 37 CA LYS A 3 -4.135 6.056 -6.963 1.00 0.00 C ATOM 38 C LYS A 3 -3.219 5.609 -5.817 1.00 0.00 C ATOM 39 O LYS A 3 -2.785 6.408 -5.010 1.00 0.00 O ATOM 40 CB LYS A 3 -3.394 7.020 -7.891 1.00 0.00 C ATOM 41 CG LYS A 3 -3.819 6.766 -9.337 1.00 0.00 C ATOM 42 CD LYS A 3 -3.427 7.966 -10.201 1.00 0.00 C ATOM 43 CE LYS A 3 -4.309 9.163 -9.843 1.00 0.00 C ATOM 44 NZ LYS A 3 -4.603 9.827 -11.144 1.00 0.00 N ATOM 0 H LYS A 3 -5.078 7.491 -5.688 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.456 5.147 -7.472 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.614 8.051 -7.612 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.317 6.885 -7.788 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.342 5.861 -9.714 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.896 6.604 -9.388 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.377 8.214 -10.043 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.541 7.720 -11.257 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.225 8.844 -9.347 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.796 9.841 -9.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.205 10.659 -10.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.712 10.126 -11.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.097 9.160 -11.770 1.00 0.00 H new ATOM 58 N ILE A 4 -2.904 4.340 -5.751 1.00 0.00 N ATOM 59 CA ILE A 4 -2.000 3.853 -4.675 1.00 0.00 C ATOM 60 C ILE A 4 -0.583 3.689 -5.242 1.00 0.00 C ATOM 61 O ILE A 4 -0.392 3.115 -6.296 1.00 0.00 O ATOM 62 CB ILE A 4 -2.589 2.523 -4.214 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.906 2.785 -3.487 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.615 1.821 -3.265 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.603 1.457 -3.222 1.00 0.00 C ATOM 0 H ILE A 4 -3.235 3.624 -6.397 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.925 4.544 -3.836 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.764 1.885 -5.081 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.720 3.306 -2.548 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.545 3.431 -4.088 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.043 0.873 -2.941 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.673 1.636 -3.782 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.434 2.454 -2.396 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.544 1.637 -2.703 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.801 0.955 -4.169 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.963 0.827 -2.604 1.00 0.00 H new ATOM 77 N ARG A 5 0.411 4.203 -4.566 1.00 0.00 N ATOM 78 CA ARG A 5 1.801 4.088 -5.089 1.00 0.00 C ATOM 79 C ARG A 5 2.811 4.089 -3.941 1.00 0.00 C ATOM 80 O ARG A 5 2.456 3.924 -2.795 1.00 0.00 O ATOM 81 CB ARG A 5 1.993 5.314 -5.982 1.00 0.00 C ATOM 82 CG ARG A 5 1.897 6.588 -5.139 1.00 0.00 C ATOM 83 CD ARG A 5 1.813 7.805 -6.063 1.00 0.00 C ATOM 84 NE ARG A 5 3.133 7.857 -6.756 1.00 0.00 N ATOM 85 CZ ARG A 5 4.210 8.261 -6.124 1.00 0.00 C ATOM 86 NH1 ARG A 5 4.159 8.617 -4.865 1.00 0.00 N ATOM 87 NH2 ARG A 5 5.349 8.306 -6.758 1.00 0.00 N ATOM 0 H ARG A 5 0.319 4.696 -3.678 1.00 0.00 H new ATOM 0 HA ARG A 5 1.956 3.158 -5.636 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.963 5.267 -6.477 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.235 5.327 -6.766 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.019 6.546 -4.495 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.767 6.672 -4.487 1.00 0.00 H new ATOM 0 HD2 ARG A 5 0.996 7.702 -6.777 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.628 8.718 -5.497 1.00 0.00 H new ATOM 0 HE ARG A 5 3.199 7.575 -7.734 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.273 8.583 -4.361 1.00 0.00 H new ATOM 0 HH12 ARG A 5 5.005 8.929 -4.388 1.00 0.00 H new ATOM 0 HH21 ARG A 5 5.398 8.028 -7.738 1.00 0.00 H new ATOM 0 HH22 ARG A 5 6.190 8.619 -6.274 1.00 0.00 H new ATOM 101 N LEU A 6 4.068 4.291 -4.241 1.00 0.00 N ATOM 102 CA LEU A 6 5.095 4.305 -3.158 1.00 0.00 C ATOM 103 C LEU A 6 5.259 5.712 -2.593 1.00 0.00 C ATOM 104 O LEU A 6 5.462 6.669 -3.313 1.00 0.00 O ATOM 105 CB LEU A 6 6.401 3.862 -3.822 1.00 0.00 C ATOM 106 CG LEU A 6 6.265 2.429 -4.322 1.00 0.00 C ATOM 107 CD1 LEU A 6 7.588 1.973 -4.940 1.00 0.00 C ATOM 108 CD2 LEU A 6 5.902 1.507 -3.155 1.00 0.00 C ATOM 0 H LEU A 6 4.426 4.446 -5.183 1.00 0.00 H new ATOM 0 HA LEU A 6 4.810 3.653 -2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.641 4.526 -4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.224 3.932 -3.110 1.00 0.00 H new ATOM 0 HG LEU A 6 5.478 2.385 -5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.489 0.948 -5.297 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.843 2.625 -5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.376 2.021 -4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.806 0.483 -3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.685 1.552 -2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.956 1.828 -2.718 1.00 0.00 H new ATOM 120 N ALA A 7 5.176 5.834 -1.305 1.00 0.00 N ATOM 121 CA ALA A 7 5.327 7.167 -0.664 1.00 0.00 C ATOM 122 C ALA A 7 6.747 7.313 -0.112 1.00 0.00 C ATOM 123 O ALA A 7 7.084 6.749 0.902 1.00 0.00 O ATOM 124 CB ALA A 7 4.307 7.146 0.465 1.00 0.00 C ATOM 0 H ALA A 7 5.008 5.062 -0.660 1.00 0.00 H new ATOM 0 HA ALA A 7 5.168 7.999 -1.350 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.340 8.093 1.003 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.309 6.999 0.051 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.540 6.331 1.150 1.00 0.00 H new ATOM 130 N ARG A 8 7.585 8.048 -0.788 1.00 0.00 N ATOM 131 CA ARG A 8 8.994 8.203 -0.322 1.00 0.00 C ATOM 132 C ARG A 8 9.102 9.080 0.931 1.00 0.00 C ATOM 133 O ARG A 8 8.717 10.233 0.932 1.00 0.00 O ATOM 134 CB ARG A 8 9.714 8.881 -1.485 1.00 0.00 C ATOM 135 CG ARG A 8 11.227 8.795 -1.271 1.00 0.00 C ATOM 136 CD ARG A 8 11.941 9.726 -2.252 1.00 0.00 C ATOM 137 NE ARG A 8 13.369 9.298 -2.213 1.00 0.00 N ATOM 138 CZ ARG A 8 14.131 9.591 -1.185 1.00 0.00 C ATOM 139 NH1 ARG A 8 13.665 10.288 -0.177 1.00 0.00 N ATOM 140 NH2 ARG A 8 15.372 9.183 -1.169 1.00 0.00 N ATOM 0 H ARG A 8 7.356 8.550 -1.646 1.00 0.00 H new ATOM 0 HA ARG A 8 9.420 7.237 -0.050 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.441 8.401 -2.425 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.405 9.924 -1.559 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.475 9.072 -0.246 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.567 7.769 -1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.528 9.634 -3.256 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.833 10.770 -1.957 1.00 0.00 H new ATOM 0 HE ARG A 8 13.758 8.771 -2.995 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.697 10.611 -0.184 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.270 10.507 0.614 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.741 8.642 -1.951 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.972 9.406 -0.375 1.00 0.00 H new ATOM 276 N TYR A 17 9.395 3.203 1.034 1.00 0.00 N ATOM 277 CA TYR A 17 8.173 3.929 0.648 1.00 0.00 C ATOM 278 C TYR A 17 6.983 3.140 1.148 1.00 0.00 C ATOM 279 O TYR A 17 7.027 1.926 1.195 1.00 0.00 O ATOM 280 CB TYR A 17 8.113 3.910 -0.871 1.00 0.00 C ATOM 281 CG TYR A 17 9.362 4.453 -1.507 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.563 3.748 -1.414 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.300 5.647 -2.230 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.709 4.243 -2.039 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.442 6.141 -2.860 1.00 0.00 C ATOM 286 CZ TYR A 17 11.651 5.441 -2.764 1.00 0.00 C ATOM 287 OH TYR A 17 12.782 5.928 -3.388 1.00 0.00 O ATOM 0 HA TYR A 17 8.169 4.942 1.049 1.00 0.00 H new ATOM 0 HB2 TYR A 17 7.952 2.887 -1.212 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.256 4.496 -1.204 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.606 2.822 -0.860 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.368 6.187 -2.301 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.641 3.702 -1.964 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.394 7.062 -3.421 1.00 0.00 H new ATOM 0 HH TYR A 17 12.567 6.767 -3.847 1.00 0.00 H new ATOM 297 N ARG A 18 5.905 3.780 1.459 1.00 0.00 N ATOM 298 CA ARG A 18 4.724 2.995 1.869 1.00 0.00 C ATOM 299 C ARG A 18 3.830 2.905 0.649 1.00 0.00 C ATOM 300 O ARG A 18 3.930 3.713 -0.255 1.00 0.00 O ATOM 301 CB ARG A 18 4.046 3.761 3.007 1.00 0.00 C ATOM 302 CG ARG A 18 3.867 2.847 4.219 1.00 0.00 C ATOM 303 CD ARG A 18 3.913 3.687 5.496 1.00 0.00 C ATOM 304 NE ARG A 18 3.841 2.703 6.617 1.00 0.00 N ATOM 305 CZ ARG A 18 4.081 3.075 7.853 1.00 0.00 C ATOM 306 NH1 ARG A 18 4.391 4.316 8.135 1.00 0.00 N ATOM 307 NH2 ARG A 18 4.010 2.197 8.817 1.00 0.00 N ATOM 0 H ARG A 18 5.789 4.793 1.448 1.00 0.00 H new ATOM 0 HA ARG A 18 4.964 1.991 2.219 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.647 4.628 3.281 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.077 4.136 2.677 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.917 2.317 4.152 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.652 2.091 4.238 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.829 4.275 5.547 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.080 4.390 5.535 1.00 0.00 H new ATOM 0 HE ARG A 18 3.603 1.731 6.420 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.449 5.009 7.389 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.575 4.589 9.100 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.769 1.228 8.608 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.195 2.480 9.779 1.00 0.00 H new ATOM 321 N ILE A 19 2.949 1.969 0.611 1.00 0.00 N ATOM 322 CA ILE A 19 2.049 1.878 -0.551 1.00 0.00 C ATOM 323 C ILE A 19 0.786 2.559 -0.073 1.00 0.00 C ATOM 324 O ILE A 19 -0.118 1.952 0.468 1.00 0.00 O ATOM 325 CB ILE A 19 1.849 0.390 -0.872 1.00 0.00 C ATOM 326 CG1 ILE A 19 3.031 -0.472 -0.384 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.760 0.217 -2.384 1.00 0.00 C ATOM 328 CD1 ILE A 19 2.772 -1.942 -0.723 1.00 0.00 C ATOM 0 H ILE A 19 2.810 1.261 1.332 1.00 0.00 H new ATOM 0 HA ILE A 19 2.411 2.345 -1.467 1.00 0.00 H new ATOM 0 HB ILE A 19 0.939 0.068 -0.366 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.956 -0.138 -0.854 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.160 -0.354 0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.618 -0.837 -2.622 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.917 0.792 -2.767 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.681 0.572 -2.846 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.609 -2.548 -0.377 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.857 -2.273 -0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.665 -2.053 -1.802 1.00 0.00 H new ATOM 340 N VAL A 20 0.799 3.855 -0.170 1.00 0.00 N ATOM 341 CA VAL A 20 -0.301 4.671 0.376 1.00 0.00 C ATOM 342 C VAL A 20 -1.312 5.069 -0.706 1.00 0.00 C ATOM 343 O VAL A 20 -1.107 4.850 -1.883 1.00 0.00 O ATOM 344 CB VAL A 20 0.461 5.872 0.989 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.364 7.124 0.114 1.00 0.00 C ATOM 346 CG2 VAL A 20 -0.092 6.177 2.375 1.00 0.00 C ATOM 0 H VAL A 20 1.545 4.389 -0.616 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.923 4.154 1.107 1.00 0.00 H new ATOM 0 HB VAL A 20 1.513 5.594 1.055 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.913 7.940 0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.792 6.916 -0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.682 7.409 0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.446 7.022 2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.151 6.422 2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.033 5.305 3.017 1.00 0.00 H new ATOM 356 N VAL A 21 -2.419 5.615 -0.290 1.00 0.00 N ATOM 357 CA VAL A 21 -3.486 5.994 -1.256 1.00 0.00 C ATOM 358 C VAL A 21 -3.671 7.512 -1.273 1.00 0.00 C ATOM 359 O VAL A 21 -4.093 8.107 -0.301 1.00 0.00 O ATOM 360 CB VAL A 21 -4.771 5.309 -0.747 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.651 4.947 -1.936 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.453 4.021 0.016 1.00 0.00 C ATOM 0 H VAL A 21 -2.632 5.817 0.687 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.237 5.686 -2.271 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.277 6.004 -0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.561 4.462 -1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.912 5.852 -2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.111 4.267 -2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.381 3.564 0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.930 3.328 -0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.822 4.253 0.874 1.00 0.00 H new ATOM 372 N THR A 22 -3.362 8.142 -2.371 1.00 0.00 N ATOM 373 CA THR A 22 -3.524 9.621 -2.452 1.00 0.00 C ATOM 374 C THR A 22 -4.071 10.014 -3.827 1.00 0.00 C ATOM 375 O THR A 22 -4.573 9.187 -4.562 1.00 0.00 O ATOM 376 CB THR A 22 -2.114 10.192 -2.246 1.00 0.00 C ATOM 377 OG1 THR A 22 -2.124 11.586 -2.512 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.124 9.503 -3.188 1.00 0.00 C ATOM 0 H THR A 22 -3.004 7.697 -3.216 1.00 0.00 H new ATOM 0 HA THR A 22 -4.225 10.002 -1.709 1.00 0.00 H new ATOM 0 HB THR A 22 -1.807 10.016 -1.215 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.224 11.951 -2.379 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.127 9.916 -3.033 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.110 8.433 -2.981 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.429 9.669 -4.221 1.00 0.00 H new ATOM 543 N TYR A 32 -1.849 11.751 1.469 1.00 0.00 N ATOM 544 CA TYR A 32 -2.731 10.607 1.078 1.00 0.00 C ATOM 545 C TYR A 32 -3.945 10.522 1.999 1.00 0.00 C ATOM 546 O TYR A 32 -4.090 11.282 2.935 1.00 0.00 O ATOM 547 CB TYR A 32 -1.878 9.337 1.222 1.00 0.00 C ATOM 548 CG TYR A 32 -1.147 9.350 2.548 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.773 8.861 3.701 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.155 9.856 2.619 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.093 8.879 4.926 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.834 9.873 3.842 1.00 0.00 C ATOM 553 CZ TYR A 32 0.211 9.385 4.995 1.00 0.00 C ATOM 554 OH TYR A 32 0.881 9.405 6.203 1.00 0.00 O ATOM 0 HA TYR A 32 -3.102 10.732 0.061 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.513 8.453 1.156 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.161 9.276 0.403 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.778 8.471 3.646 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.636 10.234 1.729 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.574 8.503 5.817 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.840 10.263 3.896 1.00 0.00 H new ATOM 0 HH TYR A 32 1.775 9.786 6.075 1.00 0.00 H new ATOM 564 N ILE A 33 -4.815 9.590 1.735 1.00 0.00 N ATOM 565 CA ILE A 33 -6.026 9.431 2.585 1.00 0.00 C ATOM 566 C ILE A 33 -5.717 8.481 3.748 1.00 0.00 C ATOM 567 O ILE A 33 -6.089 8.725 4.879 1.00 0.00 O ATOM 568 CB ILE A 33 -7.076 8.836 1.641 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.511 9.900 0.631 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.294 8.373 2.439 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.362 9.351 -0.787 1.00 0.00 C ATOM 0 H ILE A 33 -4.739 8.928 0.963 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.368 10.365 3.030 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.643 7.983 1.118 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.546 10.188 0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.905 10.798 0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.035 7.952 1.760 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.990 7.614 3.160 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.727 9.222 2.967 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.672 10.110 -1.505 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.320 9.085 -0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.987 8.466 -0.902 1.00 0.00 H new ATOM 583 N GLU A 34 -5.034 7.402 3.475 1.00 0.00 N ATOM 584 CA GLU A 34 -4.694 6.438 4.561 1.00 0.00 C ATOM 585 C GLU A 34 -3.532 5.542 4.120 1.00 0.00 C ATOM 586 O GLU A 34 -3.147 5.534 2.967 1.00 0.00 O ATOM 587 CB GLU A 34 -5.961 5.611 4.773 1.00 0.00 C ATOM 588 CG GLU A 34 -6.091 5.246 6.253 1.00 0.00 C ATOM 589 CD GLU A 34 -7.258 4.275 6.440 1.00 0.00 C ATOM 590 OE1 GLU A 34 -7.400 3.385 5.618 1.00 0.00 O ATOM 591 OE2 GLU A 34 -7.988 4.438 7.404 1.00 0.00 O ATOM 0 H GLU A 34 -4.697 7.146 2.547 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.382 6.939 5.477 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.835 6.176 4.449 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.923 4.706 4.166 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.166 4.792 6.609 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.254 6.145 6.847 1.00 0.00 H new ATOM 598 N LYS A 35 -2.971 4.789 5.025 1.00 0.00 N ATOM 599 CA LYS A 35 -1.836 3.898 4.650 1.00 0.00 C ATOM 600 C LYS A 35 -2.312 2.447 4.544 1.00 0.00 C ATOM 601 O LYS A 35 -2.661 1.827 5.529 1.00 0.00 O ATOM 602 CB LYS A 35 -0.825 4.043 5.786 1.00 0.00 C ATOM 603 CG LYS A 35 -0.366 5.499 5.882 1.00 0.00 C ATOM 604 CD LYS A 35 -0.208 5.885 7.354 1.00 0.00 C ATOM 605 CE LYS A 35 -1.518 6.485 7.870 1.00 0.00 C ATOM 606 NZ LYS A 35 -1.114 7.386 8.983 1.00 0.00 N ATOM 0 H LYS A 35 -3.248 4.752 6.006 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.408 4.164 3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.274 3.730 6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.031 3.392 5.610 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.580 5.629 5.357 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.091 6.153 5.399 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.060 5.008 7.944 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.603 6.605 7.467 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.037 7.035 7.085 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.199 5.708 8.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.959 7.836 9.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.628 6.833 9.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.472 8.119 8.620 1.00 0.00 H new ATOM 620 N ILE A 36 -2.328 1.902 3.359 1.00 0.00 N ATOM 621 CA ILE A 36 -2.784 0.484 3.200 1.00 0.00 C ATOM 622 C ILE A 36 -1.603 -0.451 3.045 1.00 0.00 C ATOM 623 O ILE A 36 -1.641 -1.587 3.479 1.00 0.00 O ATOM 624 CB ILE A 36 -3.626 0.467 1.931 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.761 0.890 0.732 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.797 1.429 2.097 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.593 0.868 -0.543 1.00 0.00 C ATOM 0 H ILE A 36 -2.048 2.370 2.497 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.344 0.149 4.073 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.007 -0.539 1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.360 1.890 0.897 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.909 0.217 0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.405 1.422 1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.406 1.118 2.945 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.419 2.436 2.272 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.973 1.169 -1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.973 -0.140 -0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.430 1.559 -0.443 1.00 0.00 H new ATOM 639 N GLY A 37 -0.569 -0.007 2.406 1.00 0.00 N ATOM 640 CA GLY A 37 0.584 -0.906 2.204 1.00 0.00 C ATOM 641 C GLY A 37 1.876 -0.272 2.685 1.00 0.00 C ATOM 642 O GLY A 37 1.969 0.921 2.876 1.00 0.00 O ATOM 0 H GLY A 37 -0.472 0.931 2.018 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.415 -1.841 2.739 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.672 -1.155 1.146 1.00 0.00 H new ATOM 646 N TYR A 38 2.890 -1.075 2.817 1.00 0.00 N ATOM 647 CA TYR A 38 4.231 -0.564 3.221 1.00 0.00 C ATOM 648 C TYR A 38 5.274 -1.207 2.302 1.00 0.00 C ATOM 649 O TYR A 38 5.154 -2.364 1.947 1.00 0.00 O ATOM 650 CB TYR A 38 4.434 -1.006 4.676 1.00 0.00 C ATOM 651 CG TYR A 38 5.880 -0.798 5.081 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.814 -1.823 4.885 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.285 0.416 5.649 1.00 0.00 C ATOM 654 CE1 TYR A 38 8.151 -1.635 5.256 1.00 0.00 C ATOM 655 CE2 TYR A 38 7.622 0.605 6.020 1.00 0.00 C ATOM 656 CZ TYR A 38 8.554 -0.421 5.825 1.00 0.00 C ATOM 657 OH TYR A 38 9.873 -0.235 6.191 1.00 0.00 O ATOM 0 H TYR A 38 2.848 -2.082 2.660 1.00 0.00 H new ATOM 0 HA TYR A 38 4.320 0.519 3.141 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.777 -0.436 5.333 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.163 -2.056 4.787 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.503 -2.760 4.447 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.566 1.207 5.801 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.871 -2.426 5.103 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.934 1.542 6.457 1.00 0.00 H new ATOM 0 HH TYR A 38 9.984 0.662 6.569 1.00 0.00 H new ATOM 667 N TYR A 39 6.291 -0.489 1.909 1.00 0.00 N ATOM 668 CA TYR A 39 7.306 -1.113 1.013 1.00 0.00 C ATOM 669 C TYR A 39 8.713 -0.656 1.417 1.00 0.00 C ATOM 670 O TYR A 39 8.948 0.515 1.643 1.00 0.00 O ATOM 671 CB TYR A 39 6.977 -0.613 -0.396 1.00 0.00 C ATOM 672 CG TYR A 39 8.017 -1.125 -1.375 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.517 -2.430 -1.258 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.478 -0.294 -2.402 1.00 0.00 C ATOM 675 CE1 TYR A 39 9.477 -2.899 -2.165 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.434 -0.766 -3.311 1.00 0.00 C ATOM 677 CZ TYR A 39 9.933 -2.067 -3.192 1.00 0.00 C ATOM 678 OH TYR A 39 10.871 -2.530 -4.093 1.00 0.00 O ATOM 0 H TYR A 39 6.462 0.484 2.163 1.00 0.00 H new ATOM 0 HA TYR A 39 7.283 -2.201 1.071 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.985 -0.955 -0.692 1.00 0.00 H new ATOM 0 HB3 TYR A 39 6.955 0.477 -0.410 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.162 -3.075 -0.468 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.097 0.712 -2.494 1.00 0.00 H new ATOM 0 HE1 TYR A 39 9.864 -3.903 -2.071 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.786 -0.124 -4.105 1.00 0.00 H new ATOM 0 HH TYR A 39 11.077 -1.825 -4.742 1.00 0.00 H new ATOM 688 N ASP A 40 9.654 -1.555 1.507 1.00 0.00 N ATOM 689 CA ASP A 40 11.036 -1.140 1.891 1.00 0.00 C ATOM 690 C ASP A 40 12.078 -1.912 1.068 1.00 0.00 C ATOM 691 O ASP A 40 12.594 -2.916 1.514 1.00 0.00 O ATOM 692 CB ASP A 40 11.154 -1.489 3.375 1.00 0.00 C ATOM 693 CG ASP A 40 12.542 -1.094 3.884 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.023 -0.048 3.484 1.00 0.00 O ATOM 695 OD2 ASP A 40 13.099 -1.846 4.667 1.00 0.00 O ATOM 0 H ASP A 40 9.529 -2.552 1.333 1.00 0.00 H new ATOM 0 HA ASP A 40 11.214 -0.081 1.705 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.384 -0.968 3.944 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.991 -2.557 3.522 1.00 0.00 H new ATOM 838 N LEU A 49 8.039 -6.419 2.251 1.00 0.00 N ATOM 839 CA LEU A 49 6.646 -6.060 1.860 1.00 0.00 C ATOM 840 C LEU A 49 5.678 -6.267 3.026 1.00 0.00 C ATOM 841 O LEU A 49 5.532 -7.358 3.539 1.00 0.00 O ATOM 842 CB LEU A 49 6.299 -7.029 0.734 1.00 0.00 C ATOM 843 CG LEU A 49 4.973 -6.620 0.094 1.00 0.00 C ATOM 844 CD1 LEU A 49 4.919 -7.156 -1.332 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.816 -7.204 0.907 1.00 0.00 C ATOM 0 HA LEU A 49 6.569 -5.014 1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.091 -7.030 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.228 -8.044 1.124 1.00 0.00 H new ATOM 0 HG LEU A 49 4.890 -5.533 0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.975 -6.867 -1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.746 -6.742 -1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.997 -8.243 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.869 -6.914 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.894 -8.291 0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.860 -6.824 1.928 1.00 0.00 H new ATOM 857 N LYS A 50 4.998 -5.233 3.429 1.00 0.00 N ATOM 858 CA LYS A 50 4.017 -5.377 4.545 1.00 0.00 C ATOM 859 C LYS A 50 2.730 -4.631 4.187 1.00 0.00 C ATOM 860 O LYS A 50 2.565 -3.472 4.511 1.00 0.00 O ATOM 861 CB LYS A 50 4.692 -4.744 5.762 1.00 0.00 C ATOM 862 CG LYS A 50 3.809 -4.946 6.994 1.00 0.00 C ATOM 863 CD LYS A 50 4.678 -5.359 8.184 1.00 0.00 C ATOM 864 CE LYS A 50 5.020 -4.123 9.021 1.00 0.00 C ATOM 865 NZ LYS A 50 6.507 -4.039 8.995 1.00 0.00 N ATOM 0 H LYS A 50 5.076 -4.295 3.037 1.00 0.00 H new ATOM 0 HA LYS A 50 3.749 -6.416 4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.671 -5.195 5.924 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.856 -3.680 5.589 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.272 -4.026 7.224 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.059 -5.711 6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.151 -6.091 8.796 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.592 -5.837 7.832 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.567 -3.225 8.602 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.648 -4.222 10.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.818 -3.215 9.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.911 -4.905 9.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.832 -3.939 8.012 1.00 0.00 H new ATOM 879 N VAL A 51 1.820 -5.275 3.506 1.00 0.00 N ATOM 880 CA VAL A 51 0.564 -4.573 3.122 1.00 0.00 C ATOM 881 C VAL A 51 -0.647 -5.151 3.850 1.00 0.00 C ATOM 882 O VAL A 51 -0.678 -6.297 4.253 1.00 0.00 O ATOM 883 CB VAL A 51 0.434 -4.769 1.585 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.018 -5.064 1.165 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.861 -3.494 0.874 1.00 0.00 C ATOM 0 H VAL A 51 1.891 -6.246 3.202 1.00 0.00 H new ATOM 0 HA VAL A 51 0.600 -3.519 3.396 1.00 0.00 H new ATOM 0 HB VAL A 51 1.067 -5.614 1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.065 -5.194 0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.361 -5.975 1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.658 -4.232 1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.770 -3.630 -0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.222 -2.670 1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.897 -3.267 1.125 1.00 0.00 H new ATOM 895 N ASP A 52 -1.668 -4.358 3.937 1.00 0.00 N ATOM 896 CA ASP A 52 -2.934 -4.817 4.538 1.00 0.00 C ATOM 897 C ASP A 52 -3.898 -5.015 3.376 1.00 0.00 C ATOM 898 O ASP A 52 -4.860 -4.288 3.233 1.00 0.00 O ATOM 899 CB ASP A 52 -3.395 -3.679 5.447 1.00 0.00 C ATOM 900 CG ASP A 52 -4.162 -4.255 6.638 1.00 0.00 C ATOM 901 OD1 ASP A 52 -3.526 -4.830 7.506 1.00 0.00 O ATOM 902 OD2 ASP A 52 -5.373 -4.113 6.661 1.00 0.00 O ATOM 0 H ASP A 52 -1.676 -3.392 3.609 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.858 -5.740 5.112 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.535 -3.108 5.797 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.030 -2.990 4.891 1.00 0.00 H new ATOM 907 N VAL A 53 -3.588 -5.964 2.513 1.00 0.00 N ATOM 908 CA VAL A 53 -4.418 -6.233 1.284 1.00 0.00 C ATOM 909 C VAL A 53 -5.905 -5.933 1.524 1.00 0.00 C ATOM 910 O VAL A 53 -6.593 -5.485 0.632 1.00 0.00 O ATOM 911 CB VAL A 53 -4.158 -7.720 0.885 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.816 -8.587 2.100 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.387 -8.319 0.185 1.00 0.00 C ATOM 0 H VAL A 53 -2.778 -6.576 2.612 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.131 -5.572 0.466 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.306 -7.716 0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.643 -9.614 1.777 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.917 -8.201 2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.644 -8.564 2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.183 -9.355 -0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.244 -8.280 0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.607 -7.747 -0.716 1.00 0.00 H new ATOM 923 N GLU A 54 -6.402 -6.142 2.710 1.00 0.00 N ATOM 924 CA GLU A 54 -7.830 -5.820 2.957 1.00 0.00 C ATOM 925 C GLU A 54 -8.051 -4.329 2.712 1.00 0.00 C ATOM 926 O GLU A 54 -8.911 -3.934 1.948 1.00 0.00 O ATOM 927 CB GLU A 54 -8.090 -6.188 4.418 1.00 0.00 C ATOM 928 CG GLU A 54 -7.682 -7.647 4.656 1.00 0.00 C ATOM 929 CD GLU A 54 -6.639 -7.736 5.777 1.00 0.00 C ATOM 930 OE1 GLU A 54 -6.178 -6.699 6.225 1.00 0.00 O ATOM 931 OE2 GLU A 54 -6.318 -8.845 6.168 1.00 0.00 O ATOM 0 H GLU A 54 -5.888 -6.517 3.508 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.508 -6.363 2.299 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.525 -5.529 5.077 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.144 -6.050 4.657 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.559 -8.238 4.919 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.275 -8.072 3.738 1.00 0.00 H new ATOM 938 N ARG A 55 -7.266 -3.496 3.333 1.00 0.00 N ATOM 939 CA ARG A 55 -7.412 -2.039 3.113 1.00 0.00 C ATOM 940 C ARG A 55 -6.822 -1.681 1.748 1.00 0.00 C ATOM 941 O ARG A 55 -7.337 -0.847 1.035 1.00 0.00 O ATOM 942 CB ARG A 55 -6.625 -1.390 4.248 1.00 0.00 C ATOM 943 CG ARG A 55 -7.602 -0.794 5.264 1.00 0.00 C ATOM 944 CD ARG A 55 -7.463 0.726 5.261 1.00 0.00 C ATOM 945 NE ARG A 55 -6.068 0.974 5.731 1.00 0.00 N ATOM 946 CZ ARG A 55 -5.806 1.193 7.000 1.00 0.00 C ATOM 947 NH1 ARG A 55 -6.741 1.105 7.913 1.00 0.00 N ATOM 948 NH2 ARG A 55 -4.582 1.470 7.361 1.00 0.00 N ATOM 0 H ARG A 55 -6.529 -3.766 3.984 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.449 -1.702 3.113 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.985 -2.129 4.731 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.972 -0.611 3.854 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.624 -1.078 5.014 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.396 -1.188 6.259 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.625 1.138 4.265 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.193 1.193 5.922 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.304 0.973 5.055 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.695 0.862 7.645 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.515 1.279 8.892 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.842 1.515 6.661 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.366 1.642 8.343 1.00 0.00 H new ATOM 962 N ALA A 56 -5.767 -2.338 1.353 1.00 0.00 N ATOM 963 CA ALA A 56 -5.190 -2.059 0.019 1.00 0.00 C ATOM 964 C ALA A 56 -6.217 -2.504 -1.030 1.00 0.00 C ATOM 965 O ALA A 56 -6.219 -2.041 -2.155 1.00 0.00 O ATOM 966 CB ALA A 56 -3.893 -2.879 -0.039 1.00 0.00 C ATOM 0 H ALA A 56 -5.284 -3.053 1.898 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.967 -1.008 -0.168 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.407 -2.723 -1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.225 -2.560 0.761 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.126 -3.937 0.083 1.00 0.00 H new ATOM 972 N ARG A 57 -7.120 -3.385 -0.650 1.00 0.00 N ATOM 973 CA ARG A 57 -8.165 -3.837 -1.600 1.00 0.00 C ATOM 974 C ARG A 57 -9.361 -2.873 -1.557 1.00 0.00 C ATOM 975 O ARG A 57 -10.123 -2.771 -2.498 1.00 0.00 O ATOM 976 CB ARG A 57 -8.571 -5.232 -1.118 1.00 0.00 C ATOM 977 CG ARG A 57 -9.755 -5.737 -1.944 1.00 0.00 C ATOM 978 CD ARG A 57 -9.417 -7.105 -2.542 1.00 0.00 C ATOM 979 NE ARG A 57 -10.028 -8.097 -1.610 1.00 0.00 N ATOM 980 CZ ARG A 57 -10.230 -9.339 -1.985 1.00 0.00 C ATOM 981 NH1 ARG A 57 -9.896 -9.742 -3.187 1.00 0.00 N ATOM 982 NH2 ARG A 57 -10.768 -10.183 -1.148 1.00 0.00 N ATOM 0 H ARG A 57 -7.169 -3.804 0.279 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.810 -3.859 -2.630 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.730 -5.919 -1.212 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.839 -5.199 -0.062 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.643 -5.812 -1.317 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.986 -5.028 -2.739 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.823 -7.207 -3.548 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.339 -7.247 -2.618 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.292 -7.806 -0.669 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.473 -9.088 -3.845 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.059 -10.710 -3.464 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.028 -9.876 -0.211 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.929 -11.150 -1.431 1.00 0.00 H new ATOM 996 N TYR A 58 -9.511 -2.144 -0.480 1.00 0.00 N ATOM 997 CA TYR A 58 -10.626 -1.163 -0.376 1.00 0.00 C ATOM 998 C TYR A 58 -10.435 -0.149 -1.484 1.00 0.00 C ATOM 999 O TYR A 58 -11.330 0.197 -2.233 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.416 -0.509 0.998 1.00 0.00 C ATOM 1001 CG TYR A 58 -11.023 0.884 1.060 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.244 1.146 0.430 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.357 1.911 1.750 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.803 2.427 0.487 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.918 3.193 1.805 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.141 3.451 1.176 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.693 4.713 1.231 1.00 0.00 O ATOM 0 H TYR A 58 -8.902 -2.189 0.337 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.623 -1.593 -0.467 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.863 -1.135 1.770 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.349 -0.450 1.213 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.756 0.358 -0.102 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.414 1.712 2.237 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.746 2.627 -0.001 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.406 3.984 2.334 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.107 5.304 1.748 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.242 0.321 -1.557 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.880 1.326 -2.570 1.00 0.00 C ATOM 1019 C TRP A 59 -9.033 0.729 -3.952 1.00 0.00 C ATOM 1020 O TRP A 59 -9.748 1.241 -4.786 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.446 1.671 -2.223 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.518 2.387 -0.926 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -7.052 1.951 0.262 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.174 3.639 -0.677 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.347 2.904 1.227 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.050 3.966 0.688 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.845 4.519 -1.522 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.589 5.146 1.202 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.392 5.703 -1.019 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.264 6.021 0.342 1.00 0.00 C ATOM 0 H TRP A 59 -8.478 0.044 -0.940 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.508 2.217 -2.574 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.834 0.773 -2.143 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.995 2.297 -2.993 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.536 1.018 0.434 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.079 2.830 2.209 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.943 4.286 -2.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.487 5.382 2.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.916 6.377 -1.681 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.685 6.939 0.725 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.416 -0.386 -4.183 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.587 -1.055 -5.501 1.00 0.00 C ATOM 1043 C LEU A 60 -10.091 -1.214 -5.767 1.00 0.00 C ATOM 1044 O LEU A 60 -10.530 -1.310 -6.895 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.913 -2.419 -5.354 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.472 -2.325 -5.852 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.661 -3.495 -5.293 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.459 -2.377 -7.383 1.00 0.00 C ATOM 0 H LEU A 60 -7.803 -0.865 -3.524 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.153 -0.495 -6.330 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.930 -2.735 -4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.459 -3.171 -5.924 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.031 -1.387 -5.516 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.633 -3.428 -5.648 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.672 -3.457 -4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.100 -4.435 -5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.432 -2.310 -7.741 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.900 -3.316 -7.719 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.037 -1.542 -7.780 1.00 0.00 H new ATOM 1060 N SER A 61 -10.880 -1.222 -4.716 1.00 0.00 N ATOM 1061 CA SER A 61 -12.350 -1.353 -4.885 1.00 0.00 C ATOM 1062 C SER A 61 -12.960 -0.005 -5.295 1.00 0.00 C ATOM 1063 O SER A 61 -14.028 0.046 -5.875 1.00 0.00 O ATOM 1064 CB SER A 61 -12.872 -1.787 -3.517 1.00 0.00 C ATOM 1065 OG SER A 61 -13.405 -3.102 -3.614 1.00 0.00 O ATOM 0 H SER A 61 -10.561 -1.143 -3.750 1.00 0.00 H new ATOM 0 HA SER A 61 -12.613 -2.069 -5.664 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.067 -1.762 -2.783 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.640 -1.095 -3.172 1.00 0.00 H new ATOM 0 HG SER A 61 -13.740 -3.385 -2.737 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.299 1.090 -5.006 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.860 2.411 -5.394 1.00 0.00 C ATOM 1073 C VAL A 62 -12.201 2.890 -6.690 1.00 0.00 C ATOM 1074 O VAL A 62 -12.013 4.069 -6.912 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.559 3.373 -4.225 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -12.926 2.724 -2.887 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.073 3.757 -4.200 1.00 0.00 C ATOM 0 H VAL A 62 -11.402 1.121 -4.522 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.933 2.360 -5.578 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.160 4.270 -4.374 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.707 3.417 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.988 2.481 -2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.344 1.812 -2.753 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.886 4.435 -3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.467 2.859 -4.079 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.809 4.250 -5.136 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.854 1.970 -7.540 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.208 2.342 -8.832 1.00 0.00 C ATOM 1089 C GLY A 63 -9.797 2.879 -8.573 1.00 0.00 C ATOM 1090 O GLY A 63 -9.274 3.665 -9.339 1.00 0.00 O ATOM 0 H GLY A 63 -11.989 0.969 -7.398 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.161 1.473 -9.489 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.806 3.096 -9.344 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.173 2.463 -7.504 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.799 2.954 -7.208 1.00 0.00 C ATOM 1096 C ALA A 64 -6.818 2.445 -8.268 1.00 0.00 C ATOM 1097 O ALA A 64 -6.841 1.290 -8.644 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.457 2.377 -5.835 1.00 0.00 C ATOM 0 H ALA A 64 -9.556 1.805 -6.825 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.738 4.042 -7.216 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.455 2.695 -5.546 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.178 2.735 -5.100 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.493 1.288 -5.878 1.00 0.00 H new ATOM 1104 N GLN A 65 -5.958 3.298 -8.756 1.00 0.00 N ATOM 1105 CA GLN A 65 -4.983 2.862 -9.794 1.00 0.00 C ATOM 1106 C GLN A 65 -3.577 2.734 -9.191 1.00 0.00 C ATOM 1107 O GLN A 65 -2.967 3.725 -8.839 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.012 3.968 -10.849 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.760 3.472 -12.088 1.00 0.00 C ATOM 1110 CD GLN A 65 -7.260 3.433 -11.794 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -7.738 2.542 -11.120 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -8.029 4.370 -12.276 1.00 0.00 N ATOM 0 H GLN A 65 -5.889 4.278 -8.480 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.236 1.887 -10.212 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.501 4.856 -10.447 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.996 4.257 -11.116 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.561 4.130 -12.934 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.407 2.479 -12.366 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.628 5.118 -12.842 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.031 4.355 -12.087 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.099 1.516 -9.089 1.00 0.00 N ATOM 1122 CA PRO A 66 -1.747 1.285 -8.530 1.00 0.00 C ATOM 1123 C PRO A 66 -0.685 1.560 -9.602 1.00 0.00 C ATOM 1124 O PRO A 66 -0.739 1.022 -10.690 1.00 0.00 O ATOM 1125 CB PRO A 66 -1.764 -0.194 -8.155 1.00 0.00 C ATOM 1126 CG PRO A 66 -2.791 -0.820 -9.049 1.00 0.00 C ATOM 1127 CD PRO A 66 -3.758 0.260 -9.471 1.00 0.00 C ATOM 0 HA PRO A 66 -1.511 1.931 -7.684 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.784 -0.648 -8.304 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.022 -0.330 -7.105 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.315 -1.268 -9.921 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.316 -1.619 -8.526 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.950 0.223 -10.543 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.720 0.149 -8.971 1.00 0.00 H new ATOM 1135 N THR A 67 0.278 2.390 -9.309 1.00 0.00 N ATOM 1136 CA THR A 67 1.334 2.689 -10.323 1.00 0.00 C ATOM 1137 C THR A 67 2.047 1.398 -10.739 1.00 0.00 C ATOM 1138 O THR A 67 1.711 0.319 -10.288 1.00 0.00 O ATOM 1139 CB THR A 67 2.306 3.637 -9.619 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.335 4.012 -10.522 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.920 2.936 -8.407 1.00 0.00 C ATOM 0 H THR A 67 0.381 2.873 -8.417 1.00 0.00 H new ATOM 0 HA THR A 67 0.922 3.131 -11.230 1.00 0.00 H new ATOM 0 HB THR A 67 1.770 4.526 -9.287 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.958 4.621 -10.073 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.612 3.613 -7.907 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.129 2.648 -7.714 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.457 2.046 -8.735 1.00 0.00 H new ATOM 1149 N ASP A 68 3.035 1.500 -11.593 1.00 0.00 N ATOM 1150 CA ASP A 68 3.775 0.278 -12.038 1.00 0.00 C ATOM 1151 C ASP A 68 4.746 -0.193 -10.947 1.00 0.00 C ATOM 1152 O ASP A 68 5.919 -0.400 -11.191 1.00 0.00 O ATOM 1153 CB ASP A 68 4.545 0.718 -13.283 1.00 0.00 C ATOM 1154 CG ASP A 68 4.700 -0.470 -14.234 1.00 0.00 C ATOM 1155 OD1 ASP A 68 5.167 -1.505 -13.785 1.00 0.00 O ATOM 1156 OD2 ASP A 68 4.349 -0.325 -15.393 1.00 0.00 O ATOM 0 H ASP A 68 3.361 2.376 -12.001 1.00 0.00 H new ATOM 0 HA ASP A 68 3.104 -0.556 -12.241 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.017 1.530 -13.782 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.525 1.102 -13.000 1.00 0.00 H new ATOM 1161 N THR A 69 4.261 -0.364 -9.748 1.00 0.00 N ATOM 1162 CA THR A 69 5.124 -0.820 -8.622 1.00 0.00 C ATOM 1163 C THR A 69 4.223 -1.259 -7.475 1.00 0.00 C ATOM 1164 O THR A 69 4.263 -2.387 -7.026 1.00 0.00 O ATOM 1165 CB THR A 69 5.929 0.396 -8.184 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.119 1.286 -9.275 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.287 -0.050 -7.641 1.00 0.00 C ATOM 0 H THR A 69 3.285 -0.204 -9.497 1.00 0.00 H new ATOM 0 HA THR A 69 5.774 -1.646 -8.910 1.00 0.00 H new ATOM 0 HB THR A 69 5.377 0.915 -7.400 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.637 2.063 -8.977 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.859 0.824 -7.329 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.138 -0.710 -6.787 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.833 -0.582 -8.420 1.00 0.00 H new ATOM 1175 N ALA A 70 3.385 -0.366 -7.021 1.00 0.00 N ATOM 1176 CA ALA A 70 2.451 -0.708 -5.930 1.00 0.00 C ATOM 1177 C ALA A 70 1.479 -1.756 -6.449 1.00 0.00 C ATOM 1178 O ALA A 70 0.918 -2.528 -5.697 1.00 0.00 O ATOM 1179 CB ALA A 70 1.725 0.595 -5.598 1.00 0.00 C ATOM 0 H ALA A 70 3.313 0.591 -7.367 1.00 0.00 H new ATOM 0 HA ALA A 70 2.944 -1.113 -5.046 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.012 0.419 -4.793 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.450 1.345 -5.283 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.195 0.951 -6.481 1.00 0.00 H new ATOM 1185 N ARG A 71 1.300 -1.810 -7.744 1.00 0.00 N ATOM 1186 CA ARG A 71 0.399 -2.827 -8.306 1.00 0.00 C ATOM 1187 C ARG A 71 1.060 -4.178 -8.102 1.00 0.00 C ATOM 1188 O ARG A 71 0.429 -5.150 -7.737 1.00 0.00 O ATOM 1189 CB ARG A 71 0.279 -2.501 -9.795 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.729 -3.452 -10.446 1.00 0.00 C ATOM 1191 CD ARG A 71 -0.972 -3.022 -11.894 1.00 0.00 C ATOM 1192 NE ARG A 71 -1.071 -4.297 -12.663 1.00 0.00 N ATOM 1193 CZ ARG A 71 -0.009 -5.034 -12.882 1.00 0.00 C ATOM 1194 NH1 ARG A 71 1.164 -4.683 -12.416 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -0.122 -6.136 -13.573 1.00 0.00 N ATOM 0 H ARG A 71 1.742 -1.191 -8.424 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.587 -2.842 -7.841 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.042 -1.468 -9.927 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.251 -2.597 -10.279 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.352 -4.474 -10.417 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.666 -3.442 -9.890 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.886 -2.435 -11.983 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.156 -2.400 -12.263 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.976 -4.599 -13.023 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.261 -3.825 -11.874 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.980 -5.268 -12.596 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.032 -6.418 -13.938 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.699 -6.715 -13.748 1.00 0.00 H new ATOM 1209 N ARG A 72 2.350 -4.233 -8.309 1.00 0.00 N ATOM 1210 CA ARG A 72 3.065 -5.511 -8.104 1.00 0.00 C ATOM 1211 C ARG A 72 3.025 -5.859 -6.621 1.00 0.00 C ATOM 1212 O ARG A 72 2.811 -6.993 -6.240 1.00 0.00 O ATOM 1213 CB ARG A 72 4.500 -5.263 -8.573 1.00 0.00 C ATOM 1214 CG ARG A 72 4.832 -6.222 -9.717 1.00 0.00 C ATOM 1215 CD ARG A 72 6.320 -6.114 -10.061 1.00 0.00 C ATOM 1216 NE ARG A 72 6.370 -6.130 -11.552 1.00 0.00 N ATOM 1217 CZ ARG A 72 7.499 -6.346 -12.186 1.00 0.00 C ATOM 1218 NH1 ARG A 72 8.612 -6.556 -11.528 1.00 0.00 N ATOM 1219 NH2 ARG A 72 7.513 -6.354 -13.491 1.00 0.00 N ATOM 0 H ARG A 72 2.930 -3.449 -8.609 1.00 0.00 H new ATOM 0 HA ARG A 72 2.620 -6.341 -8.653 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.613 -4.231 -8.904 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.195 -5.410 -7.747 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.588 -7.245 -9.430 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.228 -5.983 -10.592 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.753 -5.197 -9.661 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.885 -6.944 -9.638 1.00 0.00 H new ATOM 0 HE ARG A 72 5.516 -5.971 -12.086 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.610 -6.553 -10.508 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.481 -6.722 -12.036 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.651 -6.193 -14.011 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.386 -6.521 -13.991 1.00 0.00 H new ATOM 1233 N LEU A 73 3.203 -4.879 -5.779 1.00 0.00 N ATOM 1234 CA LEU A 73 3.146 -5.136 -4.323 1.00 0.00 C ATOM 1235 C LEU A 73 1.728 -5.555 -3.976 1.00 0.00 C ATOM 1236 O LEU A 73 1.505 -6.365 -3.103 1.00 0.00 O ATOM 1237 CB LEU A 73 3.515 -3.812 -3.652 1.00 0.00 C ATOM 1238 CG LEU A 73 4.889 -3.355 -4.145 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.043 -1.851 -3.915 1.00 0.00 C ATOM 1240 CD2 LEU A 73 5.980 -4.100 -3.375 1.00 0.00 C ATOM 0 H LEU A 73 3.386 -3.911 -6.042 1.00 0.00 H new ATOM 0 HA LEU A 73 3.822 -5.926 -3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.765 -3.055 -3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.527 -3.932 -2.569 1.00 0.00 H new ATOM 0 HG LEU A 73 4.981 -3.570 -5.210 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.023 -1.528 -4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.266 -1.318 -4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.950 -1.634 -2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.959 -3.775 -3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.886 -3.885 -2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.873 -5.172 -3.539 1.00 0.00 H new ATOM 1252 N LEU A 74 0.767 -5.051 -4.699 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.626 -5.480 -4.453 1.00 0.00 C ATOM 1254 C LEU A 74 -0.752 -6.909 -4.980 1.00 0.00 C ATOM 1255 O LEU A 74 -1.561 -7.693 -4.526 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.504 -4.514 -5.253 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.792 -3.269 -4.412 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.305 -2.145 -5.314 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -2.854 -3.601 -3.361 1.00 0.00 C ATOM 0 H LEU A 74 0.890 -4.365 -5.444 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.917 -5.466 -3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.003 -4.232 -6.179 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.438 -5.001 -5.532 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.875 -2.946 -3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.509 -1.260 -4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.551 -1.908 -6.064 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.221 -2.466 -5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.061 -2.715 -2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.769 -3.924 -3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.490 -4.400 -2.715 1.00 0.00 H new ATOM 1271 N ARG A 75 0.086 -7.252 -5.928 1.00 0.00 N ATOM 1272 CA ARG A 75 0.081 -8.618 -6.491 1.00 0.00 C ATOM 1273 C ARG A 75 0.908 -9.523 -5.588 1.00 0.00 C ATOM 1274 O ARG A 75 0.684 -10.714 -5.500 1.00 0.00 O ATOM 1275 CB ARG A 75 0.755 -8.478 -7.858 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.151 -9.047 -8.949 1.00 0.00 C ATOM 1277 CD ARG A 75 0.708 -9.653 -10.060 1.00 0.00 C ATOM 1278 NE ARG A 75 -0.263 -10.060 -11.117 1.00 0.00 N ATOM 1279 CZ ARG A 75 -1.002 -11.134 -10.974 1.00 0.00 C ATOM 1280 NH1 ARG A 75 -0.909 -11.878 -9.901 1.00 0.00 N ATOM 1281 NH2 ARG A 75 -1.842 -11.467 -11.916 1.00 0.00 N ATOM 0 H ARG A 75 0.780 -6.626 -6.335 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.919 -9.045 -6.573 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.968 -7.429 -8.062 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.710 -9.003 -7.857 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.811 -9.807 -8.529 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.788 -8.261 -9.355 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.428 -8.929 -10.442 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.278 -10.508 -9.697 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.353 -9.496 -11.962 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.255 -11.626 -9.161 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.491 -12.710 -9.805 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.920 -10.893 -12.756 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.420 -12.301 -11.812 1.00 0.00 H new ATOM 1295 N GLN A 76 1.878 -8.959 -4.923 1.00 0.00 N ATOM 1296 CA GLN A 76 2.738 -9.761 -4.036 1.00 0.00 C ATOM 1297 C GLN A 76 2.119 -9.875 -2.654 1.00 0.00 C ATOM 1298 O GLN A 76 2.173 -10.906 -2.014 1.00 0.00 O ATOM 1299 CB GLN A 76 4.043 -8.985 -4.011 1.00 0.00 C ATOM 1300 CG GLN A 76 5.199 -9.927 -3.700 1.00 0.00 C ATOM 1301 CD GLN A 76 5.551 -10.724 -4.958 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.664 -11.933 -4.915 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.728 -10.090 -6.086 1.00 0.00 N ATOM 0 H GLN A 76 2.107 -7.966 -4.963 1.00 0.00 H new ATOM 0 HA GLN A 76 2.876 -10.787 -4.376 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.206 -8.500 -4.973 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.993 -8.196 -3.261 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.065 -9.359 -3.361 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.925 -10.604 -2.891 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.633 -9.075 -6.121 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.961 -10.610 -6.932 1.00 0.00 H new ATOM 1312 N ALA A 77 1.507 -8.831 -2.207 1.00 0.00 N ATOM 1313 CA ALA A 77 0.845 -8.869 -0.880 1.00 0.00 C ATOM 1314 C ALA A 77 -0.337 -9.850 -0.917 1.00 0.00 C ATOM 1315 O ALA A 77 -0.911 -10.183 0.102 1.00 0.00 O ATOM 1316 CB ALA A 77 0.351 -7.442 -0.642 1.00 0.00 C ATOM 0 H ALA A 77 1.433 -7.943 -2.703 1.00 0.00 H new ATOM 0 HA ALA A 77 1.516 -9.202 -0.088 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.152 -7.387 0.323 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.199 -6.758 -0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.347 -7.162 -1.431 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.710 -10.313 -2.088 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.854 -11.264 -2.191 1.00 0.00 C ATOM 1324 C GLY A 78 -3.169 -10.481 -2.175 1.00 0.00 C ATOM 1325 O GLY A 78 -4.034 -10.727 -1.360 1.00 0.00 O ATOM 0 H GLY A 78 -0.268 -10.071 -2.975 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.776 -11.846 -3.109 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.829 -11.971 -1.362 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.323 -9.529 -3.060 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.577 -8.729 -3.075 1.00 0.00 C ATOM 1331 C VAL A 79 -5.506 -9.155 -4.215 1.00 0.00 C ATOM 1332 O VAL A 79 -6.623 -9.578 -3.990 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.132 -7.286 -3.266 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.352 -6.364 -3.234 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.165 -6.890 -2.147 1.00 0.00 C ATOM 0 H VAL A 79 -2.635 -9.274 -3.769 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.143 -8.870 -2.154 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.629 -7.191 -4.228 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.031 -5.331 -3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.038 -6.640 -4.035 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.857 -6.463 -2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.849 -5.856 -2.288 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.664 -6.989 -1.183 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.292 -7.543 -2.172 1.00 0.00 H new