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 USER MOD Single : A 35 LYS NZ :NH3+ 150:sc= -0.136 (180deg=-1.6!) 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 -135:sc= 0.0789 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.021) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0449 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 76 GLN : amide:sc= -0.49 X(o=-0.49,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.444 8.189 -7.152 1.00 0.00 N ATOM 21 CA VAL A 2 -7.878 7.284 -6.103 1.00 0.00 C ATOM 22 C VAL A 2 -6.792 6.383 -6.698 1.00 0.00 C ATOM 23 O VAL A 2 -7.050 5.559 -7.551 1.00 0.00 O ATOM 24 CB VAL A 2 -9.054 6.438 -5.598 1.00 0.00 C ATOM 25 CG1 VAL A 2 -10.028 7.327 -4.822 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.786 5.793 -6.779 1.00 0.00 C ATOM 0 HA VAL A 2 -7.416 7.852 -5.296 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.671 5.654 -4.945 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.863 6.725 -4.464 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.513 7.776 -3.973 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.402 8.114 -5.476 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.619 5.195 -6.408 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -10.165 6.571 -7.441 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.096 5.153 -7.329 1.00 0.00 H new ATOM 36 N LYS A 3 -5.574 6.530 -6.250 1.00 0.00 N ATOM 37 CA LYS A 3 -4.480 5.671 -6.785 1.00 0.00 C ATOM 38 C LYS A 3 -3.524 5.259 -5.659 1.00 0.00 C ATOM 39 O LYS A 3 -3.174 6.052 -4.807 1.00 0.00 O ATOM 40 CB LYS A 3 -3.758 6.534 -7.824 1.00 0.00 C ATOM 41 CG LYS A 3 -3.288 7.843 -7.185 1.00 0.00 C ATOM 42 CD LYS A 3 -2.243 8.508 -8.084 1.00 0.00 C ATOM 43 CE LYS A 3 -1.058 7.560 -8.287 1.00 0.00 C ATOM 44 NZ LYS A 3 0.040 8.422 -8.806 1.00 0.00 N ATOM 0 H LYS A 3 -5.291 7.205 -5.540 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.862 4.749 -7.224 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.904 5.991 -8.229 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.426 6.747 -8.659 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.135 8.513 -7.039 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.863 7.647 -6.201 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.687 8.762 -9.047 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.902 9.440 -7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.773 7.078 -7.352 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.304 6.766 -8.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.888 7.843 -8.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.257 8.862 -9.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.257 9.164 -8.110 1.00 0.00 H new ATOM 58 N ILE A 4 -3.086 4.030 -5.655 1.00 0.00 N ATOM 59 CA ILE A 4 -2.141 3.585 -4.599 1.00 0.00 C ATOM 60 C ILE A 4 -0.730 3.505 -5.203 1.00 0.00 C ATOM 61 O ILE A 4 -0.542 3.005 -6.294 1.00 0.00 O ATOM 62 CB ILE A 4 -2.664 2.214 -4.129 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.739 2.425 -3.056 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.527 1.364 -3.541 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.749 1.282 -3.120 1.00 0.00 C ATOM 0 H ILE A 4 -3.343 3.317 -6.338 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.080 4.267 -3.751 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.082 1.690 -4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.280 2.465 -2.068 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.242 3.379 -3.212 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.923 0.401 -3.217 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.762 1.205 -4.301 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.089 1.882 -2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.514 1.430 -2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.216 1.264 -4.105 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.239 0.335 -2.943 1.00 0.00 H new ATOM 77 N ARG A 5 0.261 4.000 -4.514 1.00 0.00 N ATOM 78 CA ARG A 5 1.640 3.951 -5.069 1.00 0.00 C ATOM 79 C ARG A 5 2.675 3.877 -3.945 1.00 0.00 C ATOM 80 O ARG A 5 2.340 3.700 -2.793 1.00 0.00 O ATOM 81 CB ARG A 5 1.799 5.247 -5.864 1.00 0.00 C ATOM 82 CG ARG A 5 1.580 6.444 -4.937 1.00 0.00 C ATOM 83 CD ARG A 5 2.924 7.111 -4.642 1.00 0.00 C ATOM 84 NE ARG A 5 2.726 8.549 -4.990 1.00 0.00 N ATOM 85 CZ ARG A 5 3.677 9.429 -4.777 1.00 0.00 C ATOM 86 NH1 ARG A 5 4.829 9.068 -4.271 1.00 0.00 N ATOM 87 NH2 ARG A 5 3.472 10.683 -5.078 1.00 0.00 N ATOM 0 H ARG A 5 0.175 4.434 -3.595 1.00 0.00 H new ATOM 0 HA ARG A 5 1.795 3.070 -5.691 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.793 5.294 -6.308 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.082 5.273 -6.685 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.901 7.159 -5.402 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.112 6.118 -4.008 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.202 6.993 -3.595 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.723 6.668 -5.236 1.00 0.00 H new ATOM 0 HE ARG A 5 1.842 8.852 -5.398 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.999 8.090 -4.036 1.00 0.00 H new ATOM 0 HH12 ARG A 5 5.557 9.765 -4.112 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.578 10.973 -5.475 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.206 11.373 -4.916 1.00 0.00 H new ATOM 101 N LEU A 6 3.930 4.021 -4.272 1.00 0.00 N ATOM 102 CA LEU A 6 4.985 3.964 -3.220 1.00 0.00 C ATOM 103 C LEU A 6 5.222 5.361 -2.646 1.00 0.00 C ATOM 104 O LEU A 6 5.408 6.319 -3.371 1.00 0.00 O ATOM 105 CB LEU A 6 6.241 3.468 -3.937 1.00 0.00 C ATOM 106 CG LEU A 6 6.084 1.990 -4.277 1.00 0.00 C ATOM 107 CD1 LEU A 6 5.166 1.840 -5.491 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.457 1.395 -4.598 1.00 0.00 C ATOM 0 H LEU A 6 4.271 4.176 -5.221 1.00 0.00 H new ATOM 0 HA LEU A 6 4.706 3.313 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.405 4.046 -4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.116 3.615 -3.304 1.00 0.00 H new ATOM 0 HG LEU A 6 5.649 1.465 -3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.054 0.783 -5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.189 2.266 -5.263 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.600 2.364 -6.342 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.348 0.338 -4.841 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.891 1.920 -5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.111 1.502 -3.733 1.00 0.00 H new ATOM 120 N ALA A 7 5.196 5.487 -1.351 1.00 0.00 N ATOM 121 CA ALA A 7 5.394 6.822 -0.723 1.00 0.00 C ATOM 122 C ALA A 7 6.802 6.967 -0.152 1.00 0.00 C ATOM 123 O ALA A 7 7.132 6.375 0.848 1.00 0.00 O ATOM 124 CB ALA A 7 4.371 6.840 0.402 1.00 0.00 C ATOM 0 H ALA A 7 5.045 4.719 -0.696 1.00 0.00 H new ATOM 0 HA ALA A 7 5.274 7.637 -1.437 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.433 7.789 0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.371 6.722 -0.014 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.576 6.022 1.093 1.00 0.00 H new ATOM 130 N ARG A 8 7.633 7.761 -0.767 1.00 0.00 N ATOM 131 CA ARG A 8 9.014 7.936 -0.243 1.00 0.00 C ATOM 132 C ARG A 8 9.028 8.879 0.964 1.00 0.00 C ATOM 133 O ARG A 8 8.586 10.009 0.892 1.00 0.00 O ATOM 134 CB ARG A 8 9.809 8.527 -1.405 1.00 0.00 C ATOM 135 CG ARG A 8 11.292 8.571 -1.036 1.00 0.00 C ATOM 136 CD ARG A 8 11.858 9.951 -1.373 1.00 0.00 C ATOM 137 NE ARG A 8 11.250 10.868 -0.366 1.00 0.00 N ATOM 138 CZ ARG A 8 11.299 12.170 -0.524 1.00 0.00 C ATOM 139 NH1 ARG A 8 11.875 12.700 -1.576 1.00 0.00 N ATOM 140 NH2 ARG A 8 10.765 12.950 0.376 1.00 0.00 N ATOM 0 H ARG A 8 7.415 8.295 -1.608 1.00 0.00 H new ATOM 0 HA ARG A 8 9.438 6.994 0.103 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.664 7.925 -2.302 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.450 9.531 -1.633 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.420 8.363 0.026 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.837 7.799 -1.580 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.946 9.959 -1.309 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.596 10.249 -2.388 1.00 0.00 H new ATOM 0 HE ARG A 8 10.790 10.478 0.457 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.293 12.099 -2.286 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.905 13.714 -1.685 1.00 0.00 H new ATOM 0 HH21 ARG A 8 10.313 12.547 1.197 1.00 0.00 H new ATOM 0 HH22 ARG A 8 10.800 13.963 0.259 1.00 0.00 H new ATOM 276 N TYR A 17 9.461 2.880 0.969 1.00 0.00 N ATOM 277 CA TYR A 17 8.231 3.630 0.636 1.00 0.00 C ATOM 278 C TYR A 17 7.036 2.824 1.100 1.00 0.00 C ATOM 279 O TYR A 17 7.097 1.613 1.127 1.00 0.00 O ATOM 280 CB TYR A 17 8.170 3.703 -0.886 1.00 0.00 C ATOM 281 CG TYR A 17 9.469 4.174 -1.485 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.354 4.960 -0.749 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.770 3.831 -2.802 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.539 5.403 -1.324 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.956 4.268 -3.384 1.00 0.00 C ATOM 286 CZ TYR A 17 11.847 5.059 -2.647 1.00 0.00 C ATOM 287 OH TYR A 17 13.022 5.495 -3.220 1.00 0.00 O ATOM 0 HA TYR A 17 8.228 4.616 1.100 1.00 0.00 H new ATOM 0 HB2 TYR A 17 7.923 2.719 -1.286 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.368 4.379 -1.184 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.118 5.225 0.271 1.00 0.00 H new ATOM 0 HD2 TYR A 17 9.081 3.225 -3.372 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.222 6.012 -0.751 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.189 3.998 -4.403 1.00 0.00 H new ATOM 0 HH TYR A 17 13.079 5.165 -4.141 1.00 0.00 H new ATOM 297 N ARG A 18 5.935 3.446 1.411 1.00 0.00 N ATOM 298 CA ARG A 18 4.766 2.623 1.794 1.00 0.00 C ATOM 299 C ARG A 18 3.812 2.580 0.611 1.00 0.00 C ATOM 300 O ARG A 18 3.937 3.347 -0.324 1.00 0.00 O ATOM 301 CB ARG A 18 4.151 3.249 3.069 1.00 0.00 C ATOM 302 CG ARG A 18 2.913 4.110 2.753 1.00 0.00 C ATOM 303 CD ARG A 18 2.334 4.709 4.046 1.00 0.00 C ATOM 304 NE ARG A 18 3.493 5.287 4.795 1.00 0.00 N ATOM 305 CZ ARG A 18 4.138 4.593 5.706 1.00 0.00 C ATOM 306 NH1 ARG A 18 3.824 3.347 5.962 1.00 0.00 N ATOM 307 NH2 ARG A 18 5.122 5.151 6.357 1.00 0.00 N ATOM 0 H ARG A 18 5.798 4.457 1.416 1.00 0.00 H new ATOM 0 HA ARG A 18 5.026 1.591 2.030 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.873 2.456 3.764 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.901 3.862 3.569 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.184 4.910 2.064 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.157 3.503 2.255 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.594 5.477 3.822 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.831 3.944 4.638 1.00 0.00 H new ATOM 0 HE ARG A 18 3.790 6.242 4.594 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.065 2.897 5.450 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.338 2.827 6.673 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.384 6.116 6.157 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.629 4.622 7.066 1.00 0.00 H new ATOM 321 N ILE A 19 2.859 1.709 0.643 1.00 0.00 N ATOM 322 CA ILE A 19 1.907 1.643 -0.475 1.00 0.00 C ATOM 323 C ILE A 19 0.698 2.409 0.011 1.00 0.00 C ATOM 324 O ILE A 19 -0.199 1.874 0.620 1.00 0.00 O ATOM 325 CB ILE A 19 1.599 0.155 -0.735 1.00 0.00 C ATOM 326 CG1 ILE A 19 2.648 -0.780 -0.117 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.619 -0.100 -2.236 1.00 0.00 C ATOM 328 CD1 ILE A 19 4.032 -0.382 -0.621 1.00 0.00 C ATOM 0 H ILE A 19 2.699 1.040 1.396 1.00 0.00 H new ATOM 0 HA ILE A 19 2.268 2.067 -1.412 1.00 0.00 H new ATOM 0 HB ILE A 19 0.627 -0.050 -0.286 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.612 -0.718 0.971 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.434 -1.815 -0.385 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.402 -1.151 -2.430 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.866 0.521 -2.721 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.603 0.146 -2.634 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.782 -1.043 -0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.062 -0.466 -1.707 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.243 0.647 -0.331 1.00 0.00 H new ATOM 340 N VAL A 20 0.742 3.690 -0.172 1.00 0.00 N ATOM 341 CA VAL A 20 -0.322 4.568 0.353 1.00 0.00 C ATOM 342 C VAL A 20 -1.333 4.934 -0.742 1.00 0.00 C ATOM 343 O VAL A 20 -1.093 4.749 -1.918 1.00 0.00 O ATOM 344 CB VAL A 20 0.491 5.771 0.878 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.462 6.950 -0.093 1.00 0.00 C ATOM 346 CG2 VAL A 20 -0.050 6.212 2.230 1.00 0.00 C ATOM 0 H VAL A 20 1.486 4.174 -0.674 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.946 4.120 1.126 1.00 0.00 H new ATOM 0 HB VAL A 20 1.527 5.446 0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.047 7.774 0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.887 6.644 -1.049 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.568 7.275 -0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.529 7.061 2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.095 6.503 2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.029 5.388 2.940 1.00 0.00 H new ATOM 356 N VAL A 21 -2.471 5.436 -0.348 1.00 0.00 N ATOM 357 CA VAL A 21 -3.518 5.795 -1.348 1.00 0.00 C ATOM 358 C VAL A 21 -3.627 7.318 -1.467 1.00 0.00 C ATOM 359 O VAL A 21 -4.071 7.989 -0.558 1.00 0.00 O ATOM 360 CB VAL A 21 -4.842 5.202 -0.820 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.741 4.870 -2.004 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.601 3.914 -0.023 1.00 0.00 C ATOM 0 H VAL A 21 -2.722 5.614 0.625 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.278 5.404 -2.337 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.306 5.939 -0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.679 4.450 -1.642 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.945 5.778 -2.572 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.243 4.144 -2.647 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.554 3.523 0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.122 3.174 -0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.955 4.128 0.828 1.00 0.00 H new ATOM 372 N THR A 22 -3.221 7.865 -2.581 1.00 0.00 N ATOM 373 CA THR A 22 -3.300 9.347 -2.756 1.00 0.00 C ATOM 374 C THR A 22 -3.817 9.695 -4.154 1.00 0.00 C ATOM 375 O THR A 22 -4.258 8.841 -4.898 1.00 0.00 O ATOM 376 CB THR A 22 -1.864 9.855 -2.579 1.00 0.00 C ATOM 377 OG1 THR A 22 -1.805 11.229 -2.937 1.00 0.00 O ATOM 378 CG2 THR A 22 -0.909 9.056 -3.469 1.00 0.00 C ATOM 0 H THR A 22 -2.839 7.353 -3.376 1.00 0.00 H new ATOM 0 HA THR A 22 -3.985 9.802 -2.040 1.00 0.00 H new ATOM 0 HB THR A 22 -1.567 9.730 -1.538 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.889 11.558 -2.823 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.108 9.425 -3.335 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.951 8.002 -3.194 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.202 9.171 -4.512 1.00 0.00 H new ATOM 543 N TYR A 32 -1.610 11.608 0.965 1.00 0.00 N ATOM 544 CA TYR A 32 -2.557 10.489 0.672 1.00 0.00 C ATOM 545 C TYR A 32 -3.774 10.566 1.589 1.00 0.00 C ATOM 546 O TYR A 32 -3.812 11.328 2.535 1.00 0.00 O ATOM 547 CB TYR A 32 -1.783 9.192 0.941 1.00 0.00 C ATOM 548 CG TYR A 32 -1.067 9.282 2.271 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.793 9.224 3.466 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.323 9.434 2.303 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.127 9.316 4.694 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.990 9.526 3.529 1.00 0.00 C ATOM 553 CZ TYR A 32 0.266 9.467 4.726 1.00 0.00 C ATOM 554 OH TYR A 32 0.924 9.560 5.936 1.00 0.00 O ATOM 0 HA TYR A 32 -2.917 10.538 -0.356 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.468 8.344 0.944 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.063 9.017 0.142 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.866 9.108 3.441 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.882 9.480 1.380 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.687 9.271 5.617 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.063 9.643 3.552 1.00 0.00 H new ATOM 0 HH TYR A 32 1.886 9.660 5.778 1.00 0.00 H new ATOM 564 N ILE A 33 -4.768 9.772 1.313 1.00 0.00 N ATOM 565 CA ILE A 33 -5.991 9.775 2.159 1.00 0.00 C ATOM 566 C ILE A 33 -5.845 8.721 3.266 1.00 0.00 C ATOM 567 O ILE A 33 -6.198 8.947 4.406 1.00 0.00 O ATOM 568 CB ILE A 33 -7.126 9.434 1.173 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.625 10.726 0.523 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.296 8.751 1.891 1.00 0.00 C ATOM 571 CD1 ILE A 33 -6.766 11.049 -0.700 1.00 0.00 C ATOM 0 H ILE A 33 -4.786 9.116 0.532 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.180 10.721 2.666 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.736 8.750 0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.669 10.617 0.229 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.580 11.547 1.239 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.081 8.522 1.171 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.949 7.828 2.355 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.690 9.417 2.659 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.122 11.970 -1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.728 11.176 -0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.834 10.232 -1.419 1.00 0.00 H new ATOM 583 N GLU A 34 -5.330 7.571 2.932 1.00 0.00 N ATOM 584 CA GLU A 34 -5.162 6.500 3.954 1.00 0.00 C ATOM 585 C GLU A 34 -3.976 5.603 3.587 1.00 0.00 C ATOM 586 O GLU A 34 -3.655 5.428 2.429 1.00 0.00 O ATOM 587 CB GLU A 34 -6.470 5.707 3.908 1.00 0.00 C ATOM 588 CG GLU A 34 -6.803 5.176 5.302 1.00 0.00 C ATOM 589 CD GLU A 34 -8.321 5.029 5.441 1.00 0.00 C ATOM 590 OE1 GLU A 34 -8.882 4.201 4.742 1.00 0.00 O ATOM 591 OE2 GLU A 34 -8.895 5.746 6.243 1.00 0.00 O ATOM 0 H GLU A 34 -5.017 7.326 1.993 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.961 6.900 4.948 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.279 6.343 3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.379 4.879 3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.317 4.214 5.462 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.421 5.856 6.063 1.00 0.00 H new ATOM 598 N LYS A 35 -3.322 5.035 4.561 1.00 0.00 N ATOM 599 CA LYS A 35 -2.159 4.148 4.263 1.00 0.00 C ATOM 600 C LYS A 35 -2.609 2.686 4.249 1.00 0.00 C ATOM 601 O LYS A 35 -3.092 2.170 5.236 1.00 0.00 O ATOM 602 CB LYS A 35 -1.170 4.388 5.403 1.00 0.00 C ATOM 603 CG LYS A 35 -0.754 5.860 5.419 1.00 0.00 C ATOM 604 CD LYS A 35 -0.898 6.419 6.837 1.00 0.00 C ATOM 605 CE LYS A 35 -0.050 5.593 7.809 1.00 0.00 C ATOM 606 NZ LYS A 35 1.326 5.616 7.240 1.00 0.00 N ATOM 0 H LYS A 35 -3.541 5.145 5.551 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.716 4.360 3.290 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.625 4.118 6.356 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.293 3.753 5.277 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.277 5.961 5.081 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.374 6.431 4.727 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.582 7.462 6.860 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.944 6.396 7.142 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.069 6.021 8.811 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.426 4.573 7.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.021 5.549 8.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.447 4.811 6.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.471 6.504 6.719 1.00 0.00 H new ATOM 620 N ILE A 36 -2.467 2.012 3.138 1.00 0.00 N ATOM 621 CA ILE A 36 -2.905 0.588 3.088 1.00 0.00 C ATOM 622 C ILE A 36 -1.738 -0.364 3.245 1.00 0.00 C ATOM 623 O ILE A 36 -1.911 -1.479 3.701 1.00 0.00 O ATOM 624 CB ILE A 36 -3.559 0.413 1.730 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.538 0.664 0.624 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.701 1.411 1.591 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.097 0.178 -0.710 1.00 0.00 C ATOM 0 H ILE A 36 -2.072 2.381 2.273 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.589 0.360 3.906 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.940 -0.605 1.644 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.304 1.727 0.566 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.607 0.145 0.850 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.174 1.289 0.617 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.436 1.234 2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.311 2.425 1.681 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.366 0.358 -1.498 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.309 -0.890 -0.649 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.016 0.718 -0.937 1.00 0.00 H new ATOM 639 N GLY A 37 -0.559 0.027 2.863 1.00 0.00 N ATOM 640 CA GLY A 37 0.563 -0.929 3.006 1.00 0.00 C ATOM 641 C GLY A 37 1.901 -0.245 3.227 1.00 0.00 C ATOM 642 O GLY A 37 2.004 0.957 3.375 1.00 0.00 O ATOM 0 H GLY A 37 -0.328 0.939 2.469 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.360 -1.597 3.843 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.621 -1.549 2.111 1.00 0.00 H new ATOM 646 N TYR A 38 2.930 -1.042 3.244 1.00 0.00 N ATOM 647 CA TYR A 38 4.309 -0.516 3.449 1.00 0.00 C ATOM 648 C TYR A 38 5.294 -1.268 2.544 1.00 0.00 C ATOM 649 O TYR A 38 5.127 -2.445 2.290 1.00 0.00 O ATOM 650 CB TYR A 38 4.615 -0.792 4.921 1.00 0.00 C ATOM 651 CG TYR A 38 5.955 -0.194 5.281 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.187 1.172 5.084 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.963 -1.006 5.815 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.427 1.728 5.419 1.00 0.00 C ATOM 655 CE2 TYR A 38 8.204 -0.451 6.151 1.00 0.00 C ATOM 656 CZ TYR A 38 8.438 0.917 5.953 1.00 0.00 C ATOM 657 OH TYR A 38 9.663 1.463 6.283 1.00 0.00 O ATOM 0 H TYR A 38 2.874 -2.053 3.123 1.00 0.00 H new ATOM 0 HA TYR A 38 4.395 0.543 3.205 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.834 -0.366 5.551 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.623 -1.866 5.106 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.408 1.798 4.673 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.783 -2.060 5.968 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.605 2.782 5.266 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.981 -1.077 6.563 1.00 0.00 H new ATOM 0 HH TYR A 38 10.248 0.763 6.641 1.00 0.00 H new ATOM 667 N TYR A 39 6.335 -0.625 2.073 1.00 0.00 N ATOM 668 CA TYR A 39 7.317 -1.356 1.216 1.00 0.00 C ATOM 669 C TYR A 39 8.744 -0.913 1.572 1.00 0.00 C ATOM 670 O TYR A 39 9.025 0.264 1.685 1.00 0.00 O ATOM 671 CB TYR A 39 6.991 -1.008 -0.244 1.00 0.00 C ATOM 672 CG TYR A 39 8.095 -1.497 -1.164 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.783 -2.684 -0.872 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.422 -0.767 -2.311 1.00 0.00 C ATOM 675 CE1 TYR A 39 9.796 -3.136 -1.723 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.435 -1.222 -3.165 1.00 0.00 C ATOM 677 CZ TYR A 39 10.122 -2.405 -2.870 1.00 0.00 C ATOM 678 OH TYR A 39 11.118 -2.851 -3.713 1.00 0.00 O ATOM 0 H TYR A 39 6.545 0.359 2.242 1.00 0.00 H new ATOM 0 HA TYR A 39 7.253 -2.433 1.372 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.043 -1.463 -0.530 1.00 0.00 H new ATOM 0 HB3 TYR A 39 6.872 0.070 -0.350 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.530 -3.250 0.012 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.894 0.147 -2.538 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.326 -4.049 -1.495 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.686 -0.659 -4.052 1.00 0.00 H new ATOM 0 HH TYR A 39 11.216 -2.227 -4.462 1.00 0.00 H new ATOM 688 N ASP A 40 9.647 -1.837 1.749 1.00 0.00 N ATOM 689 CA ASP A 40 11.047 -1.443 2.093 1.00 0.00 C ATOM 690 C ASP A 40 12.052 -2.316 1.328 1.00 0.00 C ATOM 691 O ASP A 40 12.350 -3.417 1.742 1.00 0.00 O ATOM 692 CB ASP A 40 11.168 -1.675 3.598 1.00 0.00 C ATOM 693 CG ASP A 40 12.378 -0.906 4.135 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.243 -0.573 3.343 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.416 -0.661 5.329 1.00 0.00 O ATOM 0 H ASP A 40 9.481 -2.840 1.672 1.00 0.00 H new ATOM 0 HA ASP A 40 11.260 -0.409 1.823 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.260 -1.344 4.102 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.278 -2.739 3.805 1.00 0.00 H new ATOM 838 N LEU A 49 7.711 -6.737 2.115 1.00 0.00 N ATOM 839 CA LEU A 49 6.438 -6.016 1.826 1.00 0.00 C ATOM 840 C LEU A 49 5.391 -6.311 2.901 1.00 0.00 C ATOM 841 O LEU A 49 5.237 -7.429 3.348 1.00 0.00 O ATOM 842 CB LEU A 49 5.981 -6.551 0.470 1.00 0.00 C ATOM 843 CG LEU A 49 5.145 -5.487 -0.242 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.996 -4.243 -0.499 1.00 0.00 C ATOM 845 CD2 LEU A 49 4.639 -6.047 -1.571 1.00 0.00 C ATOM 0 HA LEU A 49 6.575 -4.935 1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.846 -6.817 -0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.394 -7.460 0.604 1.00 0.00 H new ATOM 0 HG LEU A 49 4.297 -5.214 0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.394 -3.489 -1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.353 -3.844 0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.848 -4.508 -1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.042 -5.291 -2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.488 -6.322 -2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.025 -6.928 -1.384 1.00 0.00 H new ATOM 857 N LYS A 50 4.666 -5.307 3.312 1.00 0.00 N ATOM 858 CA LYS A 50 3.622 -5.515 4.354 1.00 0.00 C ATOM 859 C LYS A 50 2.372 -4.698 4.020 1.00 0.00 C ATOM 860 O LYS A 50 2.088 -3.699 4.651 1.00 0.00 O ATOM 861 CB LYS A 50 4.253 -5.014 5.653 1.00 0.00 C ATOM 862 CG LYS A 50 4.931 -6.179 6.371 1.00 0.00 C ATOM 863 CD LYS A 50 3.906 -6.914 7.238 1.00 0.00 C ATOM 864 CE LYS A 50 3.522 -6.038 8.432 1.00 0.00 C ATOM 865 NZ LYS A 50 2.591 -6.876 9.240 1.00 0.00 N ATOM 0 H LYS A 50 4.752 -4.350 2.970 1.00 0.00 H new ATOM 0 HA LYS A 50 3.313 -6.558 4.425 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.981 -4.232 5.438 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.490 -4.572 6.294 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.365 -6.865 5.643 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.749 -5.811 6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.020 -7.152 6.649 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.321 -7.860 7.586 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.400 -5.753 9.011 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.041 -5.115 8.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.283 -6.343 10.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.762 -7.127 8.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.078 -7.744 9.541 1.00 0.00 H new ATOM 879 N VAL A 51 1.622 -5.108 3.033 1.00 0.00 N ATOM 880 CA VAL A 51 0.397 -4.341 2.674 1.00 0.00 C ATOM 881 C VAL A 51 -0.824 -4.938 3.370 1.00 0.00 C ATOM 882 O VAL A 51 -1.100 -6.116 3.255 1.00 0.00 O ATOM 883 CB VAL A 51 0.271 -4.448 1.132 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.185 -4.697 0.694 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.723 -3.144 0.497 1.00 0.00 C ATOM 0 H VAL A 51 1.803 -5.935 2.464 1.00 0.00 H new ATOM 0 HA VAL A 51 0.459 -3.300 2.992 1.00 0.00 H new ATOM 0 HB VAL A 51 0.891 -5.286 0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.231 -4.766 -0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.542 -5.629 1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.813 -3.873 1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.635 -3.217 -0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.097 -2.328 0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.762 -2.950 0.764 1.00 0.00 H new ATOM 895 N ASP A 52 -1.592 -4.122 4.026 1.00 0.00 N ATOM 896 CA ASP A 52 -2.830 -4.638 4.648 1.00 0.00 C ATOM 897 C ASP A 52 -3.814 -4.879 3.510 1.00 0.00 C ATOM 898 O ASP A 52 -4.762 -4.139 3.343 1.00 0.00 O ATOM 899 CB ASP A 52 -3.322 -3.518 5.564 1.00 0.00 C ATOM 900 CG ASP A 52 -4.028 -4.125 6.778 1.00 0.00 C ATOM 901 OD1 ASP A 52 -4.692 -5.134 6.608 1.00 0.00 O ATOM 902 OD2 ASP A 52 -3.890 -3.572 7.856 1.00 0.00 O ATOM 0 H ASP A 52 -1.416 -3.126 4.157 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.700 -5.560 5.215 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.482 -2.903 5.888 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.005 -2.864 5.022 1.00 0.00 H new ATOM 907 N VAL A 53 -3.552 -5.881 2.691 1.00 0.00 N ATOM 908 CA VAL A 53 -4.431 -6.170 1.503 1.00 0.00 C ATOM 909 C VAL A 53 -5.912 -5.905 1.817 1.00 0.00 C ATOM 910 O VAL A 53 -6.665 -5.543 0.943 1.00 0.00 O ATOM 911 CB VAL A 53 -4.155 -7.645 1.071 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.731 -8.525 2.251 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.401 -8.267 0.421 1.00 0.00 C ATOM 0 H VAL A 53 -2.760 -6.515 2.797 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.197 -5.500 0.676 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.336 -7.605 0.352 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.550 -9.541 1.901 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.818 -8.126 2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.523 -8.535 3.000 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.184 -9.294 0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.226 -8.259 1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.678 -7.689 -0.461 1.00 0.00 H new ATOM 923 N GLU A 54 -6.336 -6.048 3.042 1.00 0.00 N ATOM 924 CA GLU A 54 -7.761 -5.756 3.346 1.00 0.00 C ATOM 925 C GLU A 54 -8.039 -4.279 3.067 1.00 0.00 C ATOM 926 O GLU A 54 -8.906 -3.936 2.287 1.00 0.00 O ATOM 927 CB GLU A 54 -7.943 -6.081 4.830 1.00 0.00 C ATOM 928 CG GLU A 54 -8.692 -7.407 4.975 1.00 0.00 C ATOM 929 CD GLU A 54 -10.192 -7.142 5.151 1.00 0.00 C ATOM 930 OE1 GLU A 54 -10.584 -5.987 5.090 1.00 0.00 O ATOM 931 OE2 GLU A 54 -10.923 -8.099 5.341 1.00 0.00 O ATOM 0 H GLU A 54 -5.767 -6.349 3.833 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.450 -6.340 2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.972 -6.144 5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.498 -5.282 5.323 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.524 -8.028 4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.308 -7.960 5.833 1.00 0.00 H new ATOM 938 N ARG A 55 -7.294 -3.403 3.679 1.00 0.00 N ATOM 939 CA ARG A 55 -7.493 -1.952 3.432 1.00 0.00 C ATOM 940 C ARG A 55 -6.904 -1.594 2.066 1.00 0.00 C ATOM 941 O ARG A 55 -7.370 -0.707 1.386 1.00 0.00 O ATOM 942 CB ARG A 55 -6.721 -1.255 4.553 1.00 0.00 C ATOM 943 CG ARG A 55 -7.671 -0.379 5.372 1.00 0.00 C ATOM 944 CD ARG A 55 -7.246 1.085 5.243 1.00 0.00 C ATOM 945 NE ARG A 55 -5.824 1.112 5.693 1.00 0.00 N ATOM 946 CZ ARG A 55 -5.521 1.204 6.969 1.00 0.00 C ATOM 947 NH1 ARG A 55 -6.454 1.191 7.887 1.00 0.00 N ATOM 948 NH2 ARG A 55 -4.268 1.284 7.328 1.00 0.00 N ATOM 0 H ARG A 55 -6.553 -3.632 4.342 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.542 -1.658 3.425 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.250 -1.997 5.198 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.922 -0.645 4.132 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.695 -0.505 5.020 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.654 -0.684 6.418 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.342 1.435 4.215 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.868 1.733 5.860 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.076 1.058 5.001 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.434 1.108 7.617 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.201 1.263 8.872 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.533 1.275 6.621 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.024 1.356 8.316 1.00 0.00 H new ATOM 962 N ALA A 56 -5.892 -2.299 1.646 1.00 0.00 N ATOM 963 CA ALA A 56 -5.299 -2.016 0.320 1.00 0.00 C ATOM 964 C ALA A 56 -6.264 -2.531 -0.752 1.00 0.00 C ATOM 965 O ALA A 56 -6.283 -2.050 -1.870 1.00 0.00 O ATOM 966 CB ALA A 56 -3.947 -2.751 0.327 1.00 0.00 C ATOM 0 H ALA A 56 -5.453 -3.058 2.167 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.139 -0.959 0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.441 -2.591 -0.625 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.327 -2.365 1.136 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.114 -3.818 0.475 1.00 0.00 H new ATOM 972 N ARG A 57 -7.111 -3.472 -0.403 1.00 0.00 N ATOM 973 CA ARG A 57 -8.108 -3.962 -1.385 1.00 0.00 C ATOM 974 C ARG A 57 -9.341 -3.054 -1.336 1.00 0.00 C ATOM 975 O ARG A 57 -10.101 -2.967 -2.278 1.00 0.00 O ATOM 976 CB ARG A 57 -8.470 -5.383 -0.956 1.00 0.00 C ATOM 977 CG ARG A 57 -9.585 -5.917 -1.856 1.00 0.00 C ATOM 978 CD ARG A 57 -9.917 -7.355 -1.457 1.00 0.00 C ATOM 979 NE ARG A 57 -11.406 -7.395 -1.370 1.00 0.00 N ATOM 980 CZ ARG A 57 -12.145 -7.310 -2.451 1.00 0.00 C ATOM 981 NH1 ARG A 57 -11.598 -7.189 -3.634 1.00 0.00 N ATOM 982 NH2 ARG A 57 -13.446 -7.345 -2.346 1.00 0.00 N ATOM 0 H ARG A 57 -7.148 -3.914 0.515 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.722 -3.955 -2.404 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.594 -6.029 -1.021 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.793 -5.389 0.085 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.472 -5.289 -1.766 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.273 -5.881 -2.900 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.545 -8.066 -2.195 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.458 -7.616 -0.503 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.855 -7.490 -0.459 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.583 -7.160 -3.726 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.187 -7.124 -4.464 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.881 -7.438 -1.428 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.027 -7.279 -3.182 1.00 0.00 H new ATOM 996 N TYR A 58 -9.518 -2.349 -0.243 1.00 0.00 N ATOM 997 CA TYR A 58 -10.664 -1.413 -0.120 1.00 0.00 C ATOM 998 C TYR A 58 -10.517 -0.391 -1.224 1.00 0.00 C ATOM 999 O TYR A 58 -11.424 -0.093 -1.977 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.456 -0.773 1.267 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.885 0.689 1.301 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.115 1.073 0.756 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.045 1.655 1.880 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.511 2.416 0.792 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.443 2.997 1.914 1.00 0.00 C ATOM 1006 CZ TYR A 58 -11.674 3.378 1.371 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.066 4.700 1.406 1.00 0.00 O ATOM 0 H TYR A 58 -8.907 -2.388 0.573 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.652 -1.866 -0.205 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.022 -1.333 2.011 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.405 -0.847 1.545 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.760 0.333 0.307 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.093 1.363 2.298 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.462 2.710 0.373 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.798 3.739 2.360 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.314 5.271 1.143 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.346 0.133 -1.296 1.00 0.00 N ATOM 1018 CA TRP A 59 -9.039 1.143 -2.317 1.00 0.00 C ATOM 1019 C TRP A 59 -9.213 0.535 -3.690 1.00 0.00 C ATOM 1020 O TRP A 59 -9.967 1.024 -4.506 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.611 1.543 -2.007 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.711 2.448 -0.842 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -7.352 2.164 0.425 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.293 3.759 -0.825 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.648 3.259 1.222 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.238 4.271 0.487 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.845 4.545 -1.834 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.728 5.539 0.789 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.341 5.819 -1.542 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.283 6.317 -0.234 1.00 0.00 C ATOM 0 H TRP A 59 -8.570 -0.101 -0.677 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.692 2.015 -2.308 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.998 0.671 -1.778 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -7.148 2.044 -2.857 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.908 1.239 0.763 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.455 3.312 2.222 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.890 4.169 -2.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.680 5.917 1.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.771 6.422 -2.328 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.667 7.302 -0.014 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.575 -0.567 -3.935 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.772 -1.246 -5.243 1.00 0.00 C ATOM 1043 C LEU A 60 -10.281 -1.439 -5.462 1.00 0.00 C ATOM 1044 O LEU A 60 -10.751 -1.566 -6.575 1.00 0.00 O ATOM 1045 CB LEU A 60 -8.058 -2.593 -5.115 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.615 -2.456 -5.605 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.790 -3.644 -5.111 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.596 -2.423 -7.135 1.00 0.00 C ATOM 0 H LEU A 60 -7.929 -1.027 -3.293 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.378 -0.681 -6.088 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.071 -2.926 -4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.581 -3.350 -5.699 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.188 -1.532 -5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.763 -3.544 -5.461 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.801 -3.667 -4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.217 -4.569 -5.498 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.568 -2.325 -7.484 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.025 -3.346 -7.524 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.181 -1.574 -7.488 1.00 0.00 H new ATOM 1060 N SER A 61 -11.043 -1.441 -4.388 1.00 0.00 N ATOM 1061 CA SER A 61 -12.515 -1.602 -4.512 1.00 0.00 C ATOM 1062 C SER A 61 -13.169 -0.269 -4.903 1.00 0.00 C ATOM 1063 O SER A 61 -14.258 -0.243 -5.442 1.00 0.00 O ATOM 1064 CB SER A 61 -12.987 -2.038 -3.127 1.00 0.00 C ATOM 1065 OG SER A 61 -13.755 -3.228 -3.246 1.00 0.00 O ATOM 0 H SER A 61 -10.699 -1.337 -3.433 1.00 0.00 H new ATOM 0 HA SER A 61 -12.782 -2.325 -5.282 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.130 -2.208 -2.475 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.585 -1.250 -2.669 1.00 0.00 H new ATOM 0 HG SER A 61 -14.058 -3.512 -2.358 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.522 0.843 -4.644 1.00 0.00 N ATOM 1072 CA VAL A 62 -13.127 2.146 -5.014 1.00 0.00 C ATOM 1073 C VAL A 62 -12.529 2.630 -6.333 1.00 0.00 C ATOM 1074 O VAL A 62 -12.381 3.812 -6.572 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.799 3.125 -3.865 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -13.118 2.495 -2.505 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.315 3.521 -3.893 1.00 0.00 C ATOM 0 H VAL A 62 -11.608 0.897 -4.195 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.205 2.069 -5.152 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.415 4.013 -4.007 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.879 3.203 -1.711 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.178 2.244 -2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.525 1.590 -2.375 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.107 4.211 -3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.698 2.629 -3.781 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.085 4.004 -4.843 1.00 0.00 H new ATOM 1087 N GLY A 63 -12.183 1.714 -7.184 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.586 2.092 -8.493 1.00 0.00 C ATOM 1089 C GLY A 63 -10.179 2.649 -8.270 1.00 0.00 C ATOM 1090 O GLY A 63 -9.690 3.448 -9.044 1.00 0.00 O ATOM 0 H GLY A 63 -12.288 0.711 -7.031 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.545 1.224 -9.150 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.209 2.837 -8.988 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.522 2.238 -7.218 1.00 0.00 N ATOM 1095 CA ALA A 64 -8.151 2.753 -6.956 1.00 0.00 C ATOM 1096 C ALA A 64 -7.182 2.235 -8.021 1.00 0.00 C ATOM 1097 O ALA A 64 -7.186 1.068 -8.363 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.770 2.219 -5.576 1.00 0.00 C ATOM 0 H ALA A 64 -9.876 1.571 -6.533 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.110 3.842 -6.989 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.768 2.561 -5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.481 2.585 -4.835 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.789 1.129 -5.589 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.355 3.092 -8.551 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.392 2.645 -9.597 1.00 0.00 C ATOM 1106 C GLN A 65 -3.971 2.560 -9.019 1.00 0.00 C ATOM 1107 O GLN A 65 -3.336 3.571 -8.798 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.465 3.718 -10.683 1.00 0.00 C ATOM 1109 CG GLN A 65 -6.879 3.758 -11.268 1.00 0.00 C ATOM 1110 CD GLN A 65 -6.823 4.256 -12.715 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -7.481 5.215 -13.065 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -6.060 3.640 -13.576 1.00 0.00 N ATOM 0 H GLN A 65 -6.304 4.081 -8.306 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.634 1.654 -9.982 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.205 4.691 -10.266 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.741 3.505 -11.469 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.327 2.765 -11.232 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.512 4.415 -10.671 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.507 2.835 -13.283 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.016 3.964 -14.542 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.514 1.352 -8.793 1.00 0.00 N ATOM 1122 CA PRO A 66 -2.153 1.154 -8.244 1.00 0.00 C ATOM 1123 C PRO A 66 -1.111 1.306 -9.356 1.00 0.00 C ATOM 1124 O PRO A 66 -1.221 0.698 -10.403 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.180 -0.279 -7.731 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.232 -0.971 -8.542 1.00 0.00 C ATOM 1127 CD PRO A 66 -4.209 0.076 -9.014 1.00 0.00 C ATOM 0 HA PRO A 66 -1.892 1.876 -7.470 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.209 -0.759 -7.855 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.419 -0.311 -6.668 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.783 -1.486 -9.391 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.741 -1.727 -7.944 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.462 -0.062 -10.065 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.142 0.030 -8.453 1.00 0.00 H new ATOM 1135 N THR A 67 -0.102 2.106 -9.145 1.00 0.00 N ATOM 1136 CA THR A 67 0.933 2.277 -10.203 1.00 0.00 C ATOM 1137 C THR A 67 1.562 0.920 -10.540 1.00 0.00 C ATOM 1138 O THR A 67 1.384 -0.049 -9.830 1.00 0.00 O ATOM 1139 CB THR A 67 1.969 3.237 -9.611 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.068 3.354 -10.503 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.459 2.709 -8.264 1.00 0.00 C ATOM 0 H THR A 67 0.050 2.645 -8.292 1.00 0.00 H new ATOM 0 HA THR A 67 0.518 2.672 -11.131 1.00 0.00 H new ATOM 0 HB THR A 67 1.510 4.215 -9.465 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.731 3.969 -10.126 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.196 3.397 -7.850 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.616 2.623 -7.578 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.916 1.729 -8.402 1.00 0.00 H new ATOM 1149 N ASP A 68 2.274 0.837 -11.628 1.00 0.00 N ATOM 1150 CA ASP A 68 2.892 -0.465 -12.026 1.00 0.00 C ATOM 1151 C ASP A 68 3.794 -1.022 -10.917 1.00 0.00 C ATOM 1152 O ASP A 68 3.984 -2.217 -10.809 1.00 0.00 O ATOM 1153 CB ASP A 68 3.716 -0.147 -13.275 1.00 0.00 C ATOM 1154 CG ASP A 68 3.198 -0.974 -14.454 1.00 0.00 C ATOM 1155 OD1 ASP A 68 2.020 -1.291 -14.458 1.00 0.00 O ATOM 1156 OD2 ASP A 68 3.990 -1.276 -15.332 1.00 0.00 O ATOM 0 H ASP A 68 2.457 1.614 -12.262 1.00 0.00 H new ATOM 0 HA ASP A 68 2.134 -1.226 -12.210 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.650 0.916 -13.506 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.768 -0.369 -13.096 1.00 0.00 H new ATOM 1161 N THR A 69 4.359 -0.178 -10.102 1.00 0.00 N ATOM 1162 CA THR A 69 5.254 -0.681 -9.016 1.00 0.00 C ATOM 1163 C THR A 69 4.437 -1.142 -7.809 1.00 0.00 C ATOM 1164 O THR A 69 4.589 -2.246 -7.326 1.00 0.00 O ATOM 1165 CB THR A 69 6.107 0.510 -8.624 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.370 1.310 -9.769 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.425 0.029 -8.011 1.00 0.00 C ATOM 0 H THR A 69 4.243 0.835 -10.137 1.00 0.00 H new ATOM 0 HA THR A 69 5.847 -1.533 -9.350 1.00 0.00 H new ATOM 0 HB THR A 69 5.570 1.106 -7.886 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.920 2.079 -9.511 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.032 0.890 -7.732 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.217 -0.571 -7.125 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.966 -0.576 -8.739 1.00 0.00 H new ATOM 1175 N ALA A 70 3.571 -0.300 -7.317 1.00 0.00 N ATOM 1176 CA ALA A 70 2.747 -0.679 -6.146 1.00 0.00 C ATOM 1177 C ALA A 70 1.755 -1.745 -6.573 1.00 0.00 C ATOM 1178 O ALA A 70 1.333 -2.571 -5.787 1.00 0.00 O ATOM 1179 CB ALA A 70 2.031 0.602 -5.729 1.00 0.00 C ATOM 0 H ALA A 70 3.401 0.638 -7.681 1.00 0.00 H new ATOM 0 HA ALA A 70 3.332 -1.085 -5.321 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.399 0.401 -4.864 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.767 1.363 -5.471 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.414 0.959 -6.554 1.00 0.00 H new ATOM 1185 N ARG A 71 1.407 -1.757 -7.828 1.00 0.00 N ATOM 1186 CA ARG A 71 0.484 -2.791 -8.309 1.00 0.00 C ATOM 1187 C ARG A 71 1.216 -4.116 -8.198 1.00 0.00 C ATOM 1188 O ARG A 71 0.658 -5.126 -7.818 1.00 0.00 O ATOM 1189 CB ARG A 71 0.193 -2.443 -9.769 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.607 -3.578 -10.415 1.00 0.00 C ATOM 1191 CD ARG A 71 0.097 -4.040 -11.693 1.00 0.00 C ATOM 1192 NE ARG A 71 -0.891 -4.927 -12.377 1.00 0.00 N ATOM 1193 CZ ARG A 71 -0.738 -5.260 -13.638 1.00 0.00 C ATOM 1194 NH1 ARG A 71 0.280 -4.815 -14.332 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -1.612 -6.044 -14.209 1.00 0.00 N ATOM 0 H ARG A 71 1.727 -1.092 -8.532 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.449 -2.851 -7.748 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.368 -1.510 -9.827 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.126 -2.288 -10.310 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.702 -4.411 -9.719 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.617 -3.239 -10.646 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.369 -3.193 -12.322 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.018 -4.577 -11.465 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.695 -5.279 -11.858 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.967 -4.201 -13.894 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.386 -5.082 -15.311 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.408 -6.394 -13.676 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.499 -6.306 -15.188 1.00 0.00 H new ATOM 1209 N ARG A 72 2.488 -4.101 -8.498 1.00 0.00 N ATOM 1210 CA ARG A 72 3.278 -5.345 -8.389 1.00 0.00 C ATOM 1211 C ARG A 72 3.361 -5.752 -6.922 1.00 0.00 C ATOM 1212 O ARG A 72 3.234 -6.911 -6.576 1.00 0.00 O ATOM 1213 CB ARG A 72 4.663 -4.996 -8.933 1.00 0.00 C ATOM 1214 CG ARG A 72 4.927 -5.797 -10.206 1.00 0.00 C ATOM 1215 CD ARG A 72 6.140 -5.212 -10.934 1.00 0.00 C ATOM 1216 NE ARG A 72 7.101 -6.346 -11.057 1.00 0.00 N ATOM 1217 CZ ARG A 72 8.379 -6.129 -11.265 1.00 0.00 C ATOM 1218 NH1 ARG A 72 8.845 -4.909 -11.383 1.00 0.00 N ATOM 1219 NH2 ARG A 72 9.198 -7.141 -11.361 1.00 0.00 N ATOM 0 H ARG A 72 3.006 -3.280 -8.812 1.00 0.00 H new ATOM 0 HA ARG A 72 2.837 -6.176 -8.940 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.724 -3.928 -9.143 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.425 -5.218 -8.186 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.107 -6.843 -9.959 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.051 -5.769 -10.855 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.862 -4.822 -11.913 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.575 -4.385 -10.373 1.00 0.00 H new ATOM 0 HE ARG A 72 6.760 -7.304 -10.978 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.212 -4.112 -11.313 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.841 -4.757 -11.544 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.844 -8.094 -11.274 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.192 -6.979 -11.523 1.00 0.00 H new ATOM 1233 N LEU A 73 3.554 -4.798 -6.055 1.00 0.00 N ATOM 1234 CA LEU A 73 3.626 -5.112 -4.614 1.00 0.00 C ATOM 1235 C LEU A 73 2.232 -5.490 -4.132 1.00 0.00 C ATOM 1236 O LEU A 73 2.074 -6.263 -3.211 1.00 0.00 O ATOM 1237 CB LEU A 73 4.126 -3.838 -3.928 1.00 0.00 C ATOM 1238 CG LEU A 73 5.434 -3.377 -4.578 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.659 -1.893 -4.275 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.605 -4.191 -4.020 1.00 0.00 C ATOM 0 H LEU A 73 3.665 -3.812 -6.290 1.00 0.00 H new ATOM 0 HA LEU A 73 4.293 -5.945 -4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.374 -3.053 -4.006 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.283 -4.024 -2.866 1.00 0.00 H new ATOM 0 HG LEU A 73 5.371 -3.526 -5.656 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.590 -1.564 -4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.829 -1.310 -4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.718 -1.747 -3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.533 -3.859 -4.485 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.668 -4.046 -2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.449 -5.248 -4.235 1.00 0.00 H new ATOM 1252 N LEU A 74 1.215 -4.985 -4.779 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.160 -5.366 -4.382 1.00 0.00 C ATOM 1254 C LEU A 74 -0.364 -6.819 -4.791 1.00 0.00 C ATOM 1255 O LEU A 74 -1.103 -7.560 -4.177 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.088 -4.434 -5.159 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.333 -3.169 -4.337 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.094 -2.147 -5.181 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -2.161 -3.519 -3.098 1.00 0.00 C ATOM 0 H LEU A 74 1.282 -4.331 -5.559 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.351 -5.277 -3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.643 -4.177 -6.120 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.033 -4.935 -5.369 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.376 -2.747 -4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.267 -1.246 -4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.507 -1.896 -6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.051 -2.569 -5.488 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.336 -2.617 -2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.117 -3.943 -3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.620 -4.247 -2.493 1.00 0.00 H new ATOM 1271 N ARG A 75 0.337 -7.239 -5.813 1.00 0.00 N ATOM 1272 CA ARG A 75 0.245 -8.647 -6.255 1.00 0.00 C ATOM 1273 C ARG A 75 1.081 -9.484 -5.302 1.00 0.00 C ATOM 1274 O ARG A 75 0.778 -10.624 -5.010 1.00 0.00 O ATOM 1275 CB ARG A 75 0.857 -8.670 -7.656 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.086 -9.398 -8.609 1.00 0.00 C ATOM 1277 CD ARG A 75 0.681 -10.485 -9.366 1.00 0.00 C ATOM 1278 NE ARG A 75 -0.350 -11.154 -10.211 1.00 0.00 N ATOM 1279 CZ ARG A 75 -0.009 -11.851 -11.269 1.00 0.00 C ATOM 1280 NH1 ARG A 75 1.248 -11.993 -11.608 1.00 0.00 N ATOM 1281 NH2 ARG A 75 -0.938 -12.415 -11.991 1.00 0.00 N ATOM 0 H ARG A 75 0.972 -6.656 -6.359 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.773 -9.035 -6.265 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.031 -7.652 -8.006 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.826 -9.169 -7.634 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.910 -9.843 -8.051 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.523 -8.691 -9.314 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.477 -10.057 -9.976 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.150 -11.190 -8.680 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.336 -11.068 -9.962 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.980 -11.558 -11.046 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.495 -12.538 -12.434 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.919 -12.312 -11.731 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.683 -12.959 -12.815 1.00 0.00 H new ATOM 1295 N GLN A 76 2.139 -8.902 -4.812 1.00 0.00 N ATOM 1296 CA GLN A 76 3.022 -9.613 -3.872 1.00 0.00 C ATOM 1297 C GLN A 76 2.422 -9.585 -2.477 1.00 0.00 C ATOM 1298 O GLN A 76 2.611 -10.480 -1.677 1.00 0.00 O ATOM 1299 CB GLN A 76 4.320 -8.824 -3.938 1.00 0.00 C ATOM 1300 CG GLN A 76 5.493 -9.719 -3.551 1.00 0.00 C ATOM 1301 CD GLN A 76 6.001 -10.451 -4.793 1.00 0.00 C ATOM 1302 OE1 GLN A 76 6.173 -11.654 -4.776 1.00 0.00 O ATOM 1303 NE2 GLN A 76 6.250 -9.771 -5.878 1.00 0.00 N ATOM 0 H GLN A 76 2.426 -7.948 -5.032 1.00 0.00 H new ATOM 0 HA GLN A 76 3.167 -10.665 -4.116 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.467 -8.433 -4.945 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.269 -7.967 -3.267 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.293 -9.121 -3.115 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.182 -10.438 -2.793 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.105 -8.761 -5.892 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.589 -10.249 -6.713 1.00 0.00 H new ATOM 1312 N ALA A 77 1.684 -8.565 -2.196 1.00 0.00 N ATOM 1313 CA ALA A 77 1.033 -8.449 -0.870 1.00 0.00 C ATOM 1314 C ALA A 77 -0.154 -9.418 -0.774 1.00 0.00 C ATOM 1315 O ALA A 77 -0.787 -9.537 0.256 1.00 0.00 O ATOM 1316 CB ALA A 77 0.542 -7.008 -0.801 1.00 0.00 C ATOM 0 H ALA A 77 1.498 -7.792 -2.835 1.00 0.00 H new ATOM 0 HA ALA A 77 1.713 -8.694 -0.054 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.045 -6.838 0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.390 -6.330 -0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.161 -6.824 -1.613 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.467 -10.103 -1.844 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.615 -11.049 -1.816 1.00 0.00 C ATOM 1324 C GLY A 78 -2.918 -10.253 -1.894 1.00 0.00 C ATOM 1325 O GLY A 78 -3.884 -10.561 -1.227 1.00 0.00 O ATOM 0 H GLY A 78 0.025 -10.046 -2.735 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.549 -11.746 -2.652 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.591 -11.643 -0.903 1.00 0.00 H new ATOM 1329 N VAL A 79 -2.947 -9.219 -2.694 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.180 -8.393 -2.798 1.00 0.00 C ATOM 1331 C VAL A 79 -5.085 -8.878 -3.934 1.00 0.00 C ATOM 1332 O VAL A 79 -6.294 -8.824 -3.839 1.00 0.00 O ATOM 1333 CB VAL A 79 -3.692 -6.977 -3.074 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -4.887 -6.023 -3.131 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -2.741 -6.535 -1.960 1.00 0.00 C ATOM 0 H VAL A 79 -2.169 -8.913 -3.278 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.776 -8.455 -1.887 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.167 -6.958 -4.029 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.535 -5.010 -3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.563 -6.334 -3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.415 -6.044 -2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.393 -5.521 -2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.265 -6.557 -1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.887 -7.211 -1.921 1.00 0.00 H new