USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 628 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 Set 1.1: A 47 TYR OH : rot -87:sc= 0.0703 USER MOD Set 1.2: A 56 HIS : no HE2:sc= -1.79 K(o=-1.7,f=-1.2) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.558 K(o=-0.56,f=-0.038) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.447 X(o=-0.45,f=-0.00014) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 67:sc= 1.32 USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 3 -13.931 -0.407 5.988 1.00 0.00 N ATOM 43 CA LEU A 3 -12.565 -0.594 5.509 1.00 0.00 C ATOM 44 C LEU A 3 -12.019 -1.952 5.938 1.00 0.00 C ATOM 45 O LEU A 3 -12.498 -2.549 6.903 1.00 0.00 O ATOM 46 CB LEU A 3 -11.661 0.522 6.036 1.00 0.00 C ATOM 47 CG LEU A 3 -12.063 1.947 5.655 1.00 0.00 C ATOM 48 CD1 LEU A 3 -11.252 2.960 6.449 1.00 0.00 C ATOM 49 CD2 LEU A 3 -11.885 2.171 4.161 1.00 0.00 C ATOM 0 HA LEU A 3 -12.580 -0.557 4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.629 0.453 7.123 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.648 0.343 5.675 1.00 0.00 H new ATOM 0 HG LEU A 3 -13.117 2.084 5.898 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.551 3.969 6.165 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.431 2.815 7.514 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.192 2.823 6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.176 3.191 3.909 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.840 2.015 3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.511 1.468 3.611 1.00 0.00 H new ATOM 61 N VAL A 4 -11.012 -2.434 5.217 1.00 0.00 N ATOM 62 CA VAL A 4 -10.398 -3.720 5.525 1.00 0.00 C ATOM 63 C VAL A 4 -8.940 -3.753 5.080 1.00 0.00 C ATOM 64 O VAL A 4 -8.604 -3.298 3.987 1.00 0.00 O ATOM 65 CB VAL A 4 -11.156 -4.880 4.851 1.00 0.00 C ATOM 66 CG1 VAL A 4 -12.498 -5.106 5.529 1.00 0.00 C ATOM 67 CG2 VAL A 4 -11.339 -4.604 3.366 1.00 0.00 C ATOM 0 H VAL A 4 -10.604 -1.953 4.415 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.448 -3.844 6.607 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.565 -5.789 4.958 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -13.019 -5.929 5.039 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -12.338 -5.351 6.579 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -13.100 -4.200 5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.876 -5.433 2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.909 -3.684 3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -10.363 -4.496 2.893 1.00 0.00 H new ATOM 77 N GLU A 5 -8.079 -4.297 5.934 1.00 0.00 N ATOM 78 CA GLU A 5 -6.656 -4.389 5.628 1.00 0.00 C ATOM 79 C GLU A 5 -6.403 -5.406 4.519 1.00 0.00 C ATOM 80 O GLU A 5 -7.059 -6.446 4.455 1.00 0.00 O ATOM 81 CB GLU A 5 -5.867 -4.776 6.881 1.00 0.00 C ATOM 82 CG GLU A 5 -4.505 -5.380 6.579 1.00 0.00 C ATOM 83 CD GLU A 5 -4.556 -6.889 6.435 1.00 0.00 C ATOM 84 OE1 GLU A 5 -4.892 -7.367 5.331 1.00 0.00 O ATOM 85 OE2 GLU A 5 -4.260 -7.591 7.424 1.00 0.00 O ATOM 0 H GLU A 5 -8.341 -4.680 6.842 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.320 -3.411 5.283 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.733 -3.891 7.504 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.451 -5.490 7.462 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.114 -4.944 5.660 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.810 -5.118 7.377 1.00 0.00 H new ATOM 92 N ILE A 6 -5.448 -5.097 3.648 1.00 0.00 N ATOM 93 CA ILE A 6 -5.108 -5.984 2.543 1.00 0.00 C ATOM 94 C ILE A 6 -3.645 -6.410 2.610 1.00 0.00 C ATOM 95 O ILE A 6 -3.285 -7.503 2.174 1.00 0.00 O ATOM 96 CB ILE A 6 -5.373 -5.314 1.181 1.00 0.00 C ATOM 97 CG1 ILE A 6 -4.777 -3.905 1.157 1.00 0.00 C ATOM 98 CG2 ILE A 6 -6.867 -5.268 0.896 1.00 0.00 C ATOM 99 CD1 ILE A 6 -4.878 -3.230 -0.193 1.00 0.00 C ATOM 0 H ILE A 6 -4.897 -4.240 3.686 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.745 -6.863 2.637 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.892 -5.905 0.402 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.286 -3.291 1.900 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.729 -3.957 1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.039 -4.792 -0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.265 -6.283 0.876 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.369 -4.696 1.677 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.436 -2.235 -0.136 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.345 -3.822 -0.937 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.926 -3.145 -0.480 1.00 0.00 H new ATOM 111 N GLY A 7 -2.805 -5.539 3.161 1.00 0.00 N ATOM 112 CA GLY A 7 -1.391 -5.844 3.278 1.00 0.00 C ATOM 113 C GLY A 7 -0.698 -4.992 4.323 1.00 0.00 C ATOM 114 O GLY A 7 -1.325 -4.142 4.955 1.00 0.00 O ATOM 0 H GLY A 7 -3.079 -4.628 3.528 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.270 -6.897 3.533 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.909 -5.693 2.312 1.00 0.00 H new ATOM 118 N ARG A 8 0.598 -5.222 4.507 1.00 0.00 N ATOM 119 CA ARG A 8 1.375 -4.471 5.486 1.00 0.00 C ATOM 120 C ARG A 8 2.727 -4.062 4.908 1.00 0.00 C ATOM 121 O ARG A 8 3.305 -4.776 4.089 1.00 0.00 O ATOM 122 CB ARG A 8 1.581 -5.304 6.752 1.00 0.00 C ATOM 123 CG ARG A 8 2.063 -4.492 7.943 1.00 0.00 C ATOM 124 CD ARG A 8 2.308 -5.375 9.157 1.00 0.00 C ATOM 125 NE ARG A 8 2.296 -4.610 10.401 1.00 0.00 N ATOM 126 CZ ARG A 8 2.506 -5.149 11.597 1.00 0.00 C ATOM 127 NH1 ARG A 8 2.744 -6.448 11.710 1.00 0.00 N ATOM 128 NH2 ARG A 8 2.479 -4.387 12.683 1.00 0.00 N ATOM 0 H ARG A 8 1.132 -5.922 3.991 1.00 0.00 H new ATOM 0 HA ARG A 8 0.819 -3.568 5.739 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.642 -5.793 7.012 1.00 0.00 H new ATOM 0 HB3 ARG A 8 2.304 -6.093 6.544 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.983 -3.970 7.680 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.323 -3.730 8.189 1.00 0.00 H new ATOM 0 HD2 ARG A 8 1.544 -6.151 9.201 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.268 -5.879 9.051 1.00 0.00 H new ATOM 0 HE ARG A 8 2.117 -3.607 10.349 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.766 -7.037 10.877 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.905 -6.859 12.630 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.297 -3.387 12.600 1.00 0.00 H new ATOM 0 HH22 ARG A 8 2.640 -4.801 13.601 1.00 0.00 H new ATOM 142 N PHE A 9 3.224 -2.908 5.340 1.00 0.00 N ATOM 143 CA PHE A 9 4.507 -2.403 4.865 1.00 0.00 C ATOM 144 C PHE A 9 5.663 -3.095 5.581 1.00 0.00 C ATOM 145 O PHE A 9 5.702 -3.152 6.809 1.00 0.00 O ATOM 146 CB PHE A 9 4.593 -0.890 5.076 1.00 0.00 C ATOM 147 CG PHE A 9 3.557 -0.118 4.310 1.00 0.00 C ATOM 148 CD1 PHE A 9 3.423 -0.283 2.941 1.00 0.00 C ATOM 149 CD2 PHE A 9 2.718 0.773 4.959 1.00 0.00 C ATOM 150 CE1 PHE A 9 2.471 0.427 2.234 1.00 0.00 C ATOM 151 CE2 PHE A 9 1.764 1.485 4.257 1.00 0.00 C ATOM 152 CZ PHE A 9 1.640 1.311 2.893 1.00 0.00 C ATOM 0 H PHE A 9 2.758 -2.305 6.018 1.00 0.00 H new ATOM 0 HA PHE A 9 4.582 -2.619 3.799 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.484 -0.673 6.139 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.584 -0.546 4.780 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.070 -0.974 2.421 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.811 0.913 6.026 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.377 0.290 1.167 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.116 2.177 4.775 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.894 1.865 2.342 1.00 0.00 H new ATOM 162 N GLY A 10 6.605 -3.620 4.803 1.00 0.00 N ATOM 163 CA GLY A 10 7.749 -4.302 5.379 1.00 0.00 C ATOM 164 C GLY A 10 8.966 -3.405 5.484 1.00 0.00 C ATOM 165 O GLY A 10 9.168 -2.737 6.498 1.00 0.00 O ATOM 0 H GLY A 10 6.596 -3.585 3.784 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.487 -4.671 6.371 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.994 -5.172 4.770 1.00 0.00 H new ATOM 169 N ALA A 11 9.780 -3.390 4.433 1.00 0.00 N ATOM 170 CA ALA A 11 10.984 -2.568 4.411 1.00 0.00 C ATOM 171 C ALA A 11 10.890 -1.486 3.341 1.00 0.00 C ATOM 172 O ALA A 11 10.274 -1.669 2.291 1.00 0.00 O ATOM 173 CB ALA A 11 12.211 -3.437 4.180 1.00 0.00 C ATOM 0 H ALA A 11 9.627 -3.938 3.586 1.00 0.00 H new ATOM 0 HA ALA A 11 11.077 -2.077 5.380 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.103 -2.811 4.166 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.295 -4.169 4.983 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.116 -3.955 3.225 1.00 0.00 H new ATOM 179 N PRO A 12 11.513 -0.330 3.611 1.00 0.00 N ATOM 180 CA PRO A 12 11.514 0.805 2.684 1.00 0.00 C ATOM 181 C PRO A 12 12.348 0.534 1.436 1.00 0.00 C ATOM 182 O PRO A 12 13.566 0.375 1.515 1.00 0.00 O ATOM 183 CB PRO A 12 12.136 1.936 3.507 1.00 0.00 C ATOM 184 CG PRO A 12 12.976 1.246 4.525 1.00 0.00 C ATOM 185 CD PRO A 12 12.267 -0.042 4.843 1.00 0.00 C ATOM 0 HA PRO A 12 10.513 1.029 2.314 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.736 2.597 2.881 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.369 2.551 3.978 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.978 1.055 4.140 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.089 1.860 5.418 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.971 -0.840 5.079 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.606 0.065 5.703 1.00 0.00 H new ATOM 193 N TYR A 13 11.684 0.482 0.287 1.00 0.00 N ATOM 194 CA TYR A 13 12.365 0.228 -0.978 1.00 0.00 C ATOM 195 C TYR A 13 13.548 1.173 -1.159 1.00 0.00 C ATOM 196 O TYR A 13 13.809 2.028 -0.314 1.00 0.00 O ATOM 197 CB TYR A 13 11.390 0.383 -2.146 1.00 0.00 C ATOM 198 CG TYR A 13 11.849 -0.302 -3.413 1.00 0.00 C ATOM 199 CD1 TYR A 13 11.792 -1.685 -3.538 1.00 0.00 C ATOM 200 CD2 TYR A 13 12.339 0.432 -4.485 1.00 0.00 C ATOM 201 CE1 TYR A 13 12.211 -2.316 -4.693 1.00 0.00 C ATOM 202 CE2 TYR A 13 12.759 -0.190 -5.645 1.00 0.00 C ATOM 203 CZ TYR A 13 12.693 -1.564 -5.744 1.00 0.00 C ATOM 204 OH TYR A 13 13.112 -2.188 -6.897 1.00 0.00 O ATOM 0 H TYR A 13 10.676 0.612 0.205 1.00 0.00 H new ATOM 0 HA TYR A 13 12.740 -0.795 -0.960 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.421 -0.021 -1.855 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.245 1.444 -2.349 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.413 -2.277 -2.718 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.393 1.508 -4.411 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.162 -3.392 -4.773 1.00 0.00 H new ATOM 0 HE2 TYR A 13 13.137 0.396 -6.469 1.00 0.00 H new ATOM 0 HH TYR A 13 13.421 -1.515 -7.539 1.00 0.00 H new ATOM 214 N ALA A 14 14.261 1.012 -2.269 1.00 0.00 N ATOM 215 CA ALA A 14 15.415 1.851 -2.565 1.00 0.00 C ATOM 216 C ALA A 14 15.144 3.306 -2.198 1.00 0.00 C ATOM 217 O ALA A 14 13.994 3.708 -2.017 1.00 0.00 O ATOM 218 CB ALA A 14 15.789 1.736 -4.035 1.00 0.00 C ATOM 0 H ALA A 14 14.059 0.307 -2.978 1.00 0.00 H new ATOM 0 HA ALA A 14 16.252 1.501 -1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 14 16.653 2.368 -4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 14 16.034 0.700 -4.268 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.949 2.058 -4.650 1.00 0.00 H new ATOM 224 N LEU A 15 16.209 4.092 -2.089 1.00 0.00 N ATOM 225 CA LEU A 15 16.086 5.504 -1.743 1.00 0.00 C ATOM 226 C LEU A 15 14.994 6.175 -2.572 1.00 0.00 C ATOM 227 O LEU A 15 14.451 7.209 -2.182 1.00 0.00 O ATOM 228 CB LEU A 15 17.419 6.221 -1.961 1.00 0.00 C ATOM 229 CG LEU A 15 18.658 5.517 -1.408 1.00 0.00 C ATOM 230 CD1 LEU A 15 19.909 6.334 -1.692 1.00 0.00 C ATOM 231 CD2 LEU A 15 18.509 5.269 0.086 1.00 0.00 C ATOM 0 H LEU A 15 17.168 3.776 -2.235 1.00 0.00 H new ATOM 0 HA LEU A 15 15.812 5.572 -0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.558 6.370 -3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.355 7.210 -1.508 1.00 0.00 H new ATOM 0 HG LEU A 15 18.757 4.554 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 15 20.780 5.817 -1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 15 20.025 6.459 -2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.819 7.313 -1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.400 4.767 0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.383 6.221 0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 15 17.636 4.641 0.265 1.00 0.00 H new ATOM 243 N LYS A 16 14.676 5.577 -3.715 1.00 0.00 N ATOM 244 CA LYS A 16 13.646 6.113 -4.598 1.00 0.00 C ATOM 245 C LYS A 16 12.442 6.599 -3.797 1.00 0.00 C ATOM 246 O LYS A 16 11.752 7.534 -4.201 1.00 0.00 O ATOM 247 CB LYS A 16 13.206 5.050 -5.606 1.00 0.00 C ATOM 248 CG LYS A 16 14.152 4.901 -6.785 1.00 0.00 C ATOM 249 CD LYS A 16 14.071 6.097 -7.719 1.00 0.00 C ATOM 250 CE LYS A 16 15.315 6.212 -8.587 1.00 0.00 C ATOM 251 NZ LYS A 16 15.345 5.173 -9.653 1.00 0.00 N ATOM 0 H LYS A 16 15.117 4.721 -4.052 1.00 0.00 H new ATOM 0 HA LYS A 16 14.069 6.962 -5.136 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.121 4.091 -5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.213 5.303 -5.977 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.174 4.791 -6.421 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.909 3.992 -7.335 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.190 6.005 -8.354 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.948 7.009 -7.134 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.349 7.201 -9.043 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.204 6.118 -7.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.208 5.285 -10.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.338 4.229 -9.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.510 5.279 -10.264 1.00 0.00 H new ATOM 265 N GLY A 17 12.196 5.958 -2.658 1.00 0.00 N ATOM 266 CA GLY A 17 11.076 6.341 -1.819 1.00 0.00 C ATOM 267 C GLY A 17 9.953 5.323 -1.851 1.00 0.00 C ATOM 268 O GLY A 17 8.855 5.584 -1.363 1.00 0.00 O ATOM 0 H GLY A 17 12.752 5.181 -2.302 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.421 6.465 -0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.695 7.308 -2.146 1.00 0.00 H new ATOM 272 N GLY A 18 10.229 4.157 -2.429 1.00 0.00 N ATOM 273 CA GLY A 18 9.223 3.115 -2.514 1.00 0.00 C ATOM 274 C GLY A 18 9.080 2.340 -1.219 1.00 0.00 C ATOM 275 O GLY A 18 10.032 2.228 -0.446 1.00 0.00 O ATOM 0 H GLY A 18 11.131 3.916 -2.840 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.263 3.561 -2.775 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.484 2.427 -3.318 1.00 0.00 H new ATOM 279 N LEU A 19 7.888 1.806 -0.980 1.00 0.00 N ATOM 280 CA LEU A 19 7.622 1.039 0.232 1.00 0.00 C ATOM 281 C LEU A 19 7.172 -0.378 -0.108 1.00 0.00 C ATOM 282 O LEU A 19 6.218 -0.573 -0.861 1.00 0.00 O ATOM 283 CB LEU A 19 6.554 1.736 1.076 1.00 0.00 C ATOM 284 CG LEU A 19 7.029 2.927 1.910 1.00 0.00 C ATOM 285 CD1 LEU A 19 5.852 3.805 2.306 1.00 0.00 C ATOM 286 CD2 LEU A 19 7.780 2.449 3.144 1.00 0.00 C ATOM 0 H LEU A 19 7.090 1.890 -1.609 1.00 0.00 H new ATOM 0 HA LEU A 19 8.547 0.979 0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.760 2.077 0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.113 1.000 1.748 1.00 0.00 H new ATOM 0 HG LEU A 19 7.711 3.522 1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.209 4.647 2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.357 4.177 1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.144 3.221 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.110 3.310 3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.121 1.831 3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.647 1.863 2.838 1.00 0.00 H new ATOM 298 N ARG A 20 7.865 -1.364 0.453 1.00 0.00 N ATOM 299 CA ARG A 20 7.536 -2.764 0.210 1.00 0.00 C ATOM 300 C ARG A 20 6.209 -3.133 0.868 1.00 0.00 C ATOM 301 O ARG A 20 6.139 -3.327 2.081 1.00 0.00 O ATOM 302 CB ARG A 20 8.649 -3.670 0.738 1.00 0.00 C ATOM 303 CG ARG A 20 9.912 -3.640 -0.107 1.00 0.00 C ATOM 304 CD ARG A 20 10.984 -4.556 0.460 1.00 0.00 C ATOM 305 NE ARG A 20 12.159 -4.625 -0.404 1.00 0.00 N ATOM 306 CZ ARG A 20 13.039 -5.620 -0.371 1.00 0.00 C ATOM 307 NH1 ARG A 20 12.877 -6.625 0.478 1.00 0.00 N ATOM 308 NH2 ARG A 20 14.083 -5.611 -1.190 1.00 0.00 N ATOM 0 H ARG A 20 8.657 -1.219 1.079 1.00 0.00 H new ATOM 0 HA ARG A 20 7.440 -2.907 -0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.896 -3.371 1.757 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.279 -4.694 0.787 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.676 -3.943 -1.127 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.293 -2.620 -0.157 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.280 -4.200 1.447 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.573 -5.557 0.593 1.00 0.00 H new ATOM 0 HE ARG A 20 12.313 -3.868 -1.070 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.075 -6.636 1.108 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.554 -7.387 0.501 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.210 -4.840 -1.845 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.758 -6.375 -1.164 1.00 0.00 H new ATOM 322 N PHE A 21 5.159 -3.226 0.059 1.00 0.00 N ATOM 323 CA PHE A 21 3.835 -3.570 0.562 1.00 0.00 C ATOM 324 C PHE A 21 3.492 -5.022 0.243 1.00 0.00 C ATOM 325 O PHE A 21 3.600 -5.460 -0.902 1.00 0.00 O ATOM 326 CB PHE A 21 2.779 -2.641 -0.042 1.00 0.00 C ATOM 327 CG PHE A 21 1.381 -3.182 0.050 1.00 0.00 C ATOM 328 CD1 PHE A 21 0.610 -2.958 1.179 1.00 0.00 C ATOM 329 CD2 PHE A 21 0.839 -3.916 -0.993 1.00 0.00 C ATOM 330 CE1 PHE A 21 -0.677 -3.454 1.266 1.00 0.00 C ATOM 331 CE2 PHE A 21 -0.448 -4.415 -0.911 1.00 0.00 C ATOM 332 CZ PHE A 21 -1.206 -4.184 0.220 1.00 0.00 C ATOM 0 H PHE A 21 5.200 -3.068 -0.948 1.00 0.00 H new ATOM 0 HA PHE A 21 3.842 -3.446 1.645 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.821 -1.677 0.466 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.022 -2.460 -1.089 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.019 -2.389 2.001 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.428 -4.100 -1.879 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.268 -3.271 2.151 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.860 -4.985 -1.731 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.211 -4.574 0.286 1.00 0.00 H new ATOM 342 N ARG A 22 3.080 -5.765 1.266 1.00 0.00 N ATOM 343 CA ARG A 22 2.723 -7.168 1.096 1.00 0.00 C ATOM 344 C ARG A 22 1.236 -7.387 1.359 1.00 0.00 C ATOM 345 O ARG A 22 0.813 -7.533 2.505 1.00 0.00 O ATOM 346 CB ARG A 22 3.553 -8.044 2.037 1.00 0.00 C ATOM 347 CG ARG A 22 3.367 -9.535 1.803 1.00 0.00 C ATOM 348 CD ARG A 22 4.327 -10.057 0.746 1.00 0.00 C ATOM 349 NE ARG A 22 5.703 -10.106 1.233 1.00 0.00 N ATOM 350 CZ ARG A 22 6.195 -11.112 1.947 1.00 0.00 C ATOM 351 NH1 ARG A 22 5.427 -12.148 2.255 1.00 0.00 N ATOM 352 NH2 ARG A 22 7.458 -11.084 2.354 1.00 0.00 N ATOM 0 H ARG A 22 2.985 -5.418 2.221 1.00 0.00 H new ATOM 0 HA ARG A 22 2.937 -7.449 0.065 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.607 -7.795 1.917 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.286 -7.810 3.068 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.525 -10.074 2.737 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.341 -9.730 1.492 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.017 -11.055 0.435 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.277 -9.419 -0.136 1.00 0.00 H new ATOM 0 HE ARG A 22 6.320 -9.324 1.013 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.456 -12.174 1.943 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.807 -12.919 2.803 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.052 -10.289 2.119 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.834 -11.857 2.902 1.00 0.00 H new ATOM 366 N GLY A 23 0.448 -7.407 0.289 1.00 0.00 N ATOM 367 CA GLY A 23 -0.983 -7.608 0.425 1.00 0.00 C ATOM 368 C GLY A 23 -1.558 -8.462 -0.687 1.00 0.00 C ATOM 369 O GLY A 23 -0.929 -8.638 -1.730 1.00 0.00 O ATOM 0 H GLY A 23 0.775 -7.288 -0.670 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.191 -8.080 1.385 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.484 -6.640 0.431 1.00 0.00 H new ATOM 373 N GLU A 24 -2.755 -8.995 -0.464 1.00 0.00 N ATOM 374 CA GLU A 24 -3.412 -9.837 -1.457 1.00 0.00 C ATOM 375 C GLU A 24 -3.150 -9.321 -2.868 1.00 0.00 C ATOM 376 O GLU A 24 -2.852 -8.145 -3.081 1.00 0.00 O ATOM 377 CB GLU A 24 -4.918 -9.893 -1.194 1.00 0.00 C ATOM 378 CG GLU A 24 -5.520 -8.551 -0.813 1.00 0.00 C ATOM 379 CD GLU A 24 -6.916 -8.679 -0.236 1.00 0.00 C ATOM 380 OE1 GLU A 24 -7.663 -9.574 -0.685 1.00 0.00 O ATOM 381 OE2 GLU A 24 -7.262 -7.886 0.664 1.00 0.00 O ATOM 0 H GLU A 24 -3.289 -8.859 0.394 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.998 -10.842 -1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.420 -10.267 -2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.112 -10.609 -0.395 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.874 -8.061 -0.085 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.552 -7.909 -1.693 1.00 0.00 H new ATOM 388 N PRO A 25 -3.263 -10.220 -3.857 1.00 0.00 N ATOM 389 CA PRO A 25 -3.042 -9.879 -5.266 1.00 0.00 C ATOM 390 C PRO A 25 -4.141 -8.981 -5.824 1.00 0.00 C ATOM 391 O PRO A 25 -3.977 -8.362 -6.876 1.00 0.00 O ATOM 392 CB PRO A 25 -3.056 -11.240 -5.967 1.00 0.00 C ATOM 393 CG PRO A 25 -3.873 -12.114 -5.080 1.00 0.00 C ATOM 394 CD PRO A 25 -3.615 -11.638 -3.677 1.00 0.00 C ATOM 0 HA PRO A 25 -2.118 -9.320 -5.410 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.493 -11.168 -6.963 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.047 -11.633 -6.089 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.932 -12.041 -5.328 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.590 -13.160 -5.195 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.495 -11.756 -3.044 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.806 -12.196 -3.206 1.00 0.00 H new ATOM 402 N VAL A 26 -5.263 -8.915 -5.113 1.00 0.00 N ATOM 403 CA VAL A 26 -6.389 -8.091 -5.537 1.00 0.00 C ATOM 404 C VAL A 26 -6.039 -6.609 -5.477 1.00 0.00 C ATOM 405 O VAL A 26 -6.757 -5.768 -6.018 1.00 0.00 O ATOM 406 CB VAL A 26 -7.633 -8.350 -4.666 1.00 0.00 C ATOM 407 CG1 VAL A 26 -7.500 -7.647 -3.324 1.00 0.00 C ATOM 408 CG2 VAL A 26 -8.893 -7.901 -5.390 1.00 0.00 C ATOM 0 H VAL A 26 -5.416 -9.422 -4.241 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.613 -8.366 -6.568 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.710 -9.422 -4.482 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.388 -7.841 -2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.619 -8.022 -2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.398 -6.574 -3.484 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.762 -8.091 -4.760 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.828 -6.835 -5.606 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.993 -8.455 -6.323 1.00 0.00 H new ATOM 418 N VAL A 27 -4.930 -6.294 -4.815 1.00 0.00 N ATOM 419 CA VAL A 27 -4.483 -4.913 -4.685 1.00 0.00 C ATOM 420 C VAL A 27 -4.105 -4.328 -6.041 1.00 0.00 C ATOM 421 O VAL A 27 -3.980 -3.111 -6.192 1.00 0.00 O ATOM 422 CB VAL A 27 -3.275 -4.801 -3.735 1.00 0.00 C ATOM 423 CG1 VAL A 27 -2.057 -5.484 -4.337 1.00 0.00 C ATOM 424 CG2 VAL A 27 -2.978 -3.342 -3.422 1.00 0.00 C ATOM 0 H VAL A 27 -4.325 -6.977 -4.360 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.317 -4.348 -4.268 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.521 -5.307 -2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.214 -5.395 -3.652 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.277 -6.538 -4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.806 -5.010 -5.286 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.122 -3.281 -2.750 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.752 -2.810 -4.346 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.847 -2.888 -2.945 1.00 0.00 H new ATOM 434 N LEU A 28 -3.923 -5.200 -7.026 1.00 0.00 N ATOM 435 CA LEU A 28 -3.559 -4.771 -8.372 1.00 0.00 C ATOM 436 C LEU A 28 -4.737 -4.092 -9.064 1.00 0.00 C ATOM 437 O LEU A 28 -4.628 -3.650 -10.208 1.00 0.00 O ATOM 438 CB LEU A 28 -3.086 -5.967 -9.200 1.00 0.00 C ATOM 439 CG LEU A 28 -1.926 -6.772 -8.614 1.00 0.00 C ATOM 440 CD1 LEU A 28 -1.460 -7.832 -9.600 1.00 0.00 C ATOM 441 CD2 LEU A 28 -0.775 -5.851 -8.235 1.00 0.00 C ATOM 0 H LEU A 28 -4.022 -6.209 -6.918 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.745 -4.050 -8.289 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.931 -6.639 -9.346 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.791 -5.607 -10.186 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.276 -7.273 -7.712 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.634 -8.395 -9.166 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.284 -8.510 -9.822 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.127 -7.352 -10.520 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.042 -6.441 -7.820 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.426 -5.321 -9.121 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.116 -5.130 -7.492 1.00 0.00 H new ATOM 453 N HIS A 29 -5.863 -4.013 -8.362 1.00 0.00 N ATOM 454 CA HIS A 29 -7.062 -3.385 -8.908 1.00 0.00 C ATOM 455 C HIS A 29 -7.448 -2.153 -8.096 1.00 0.00 C ATOM 456 O HIS A 29 -8.441 -1.487 -8.393 1.00 0.00 O ATOM 457 CB HIS A 29 -8.221 -4.382 -8.927 1.00 0.00 C ATOM 458 CG HIS A 29 -7.994 -5.547 -9.841 1.00 0.00 C ATOM 459 ND1 HIS A 29 -8.927 -5.974 -10.762 1.00 0.00 N ATOM 460 CD2 HIS A 29 -6.932 -6.375 -9.973 1.00 0.00 C ATOM 461 CE1 HIS A 29 -8.449 -7.015 -11.420 1.00 0.00 C ATOM 462 NE2 HIS A 29 -7.239 -7.278 -10.960 1.00 0.00 N ATOM 0 H HIS A 29 -5.971 -4.376 -7.415 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.845 -3.071 -9.929 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.388 -4.752 -7.915 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.130 -3.864 -9.231 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.013 -6.333 -9.407 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.960 -7.558 -12.201 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -6.632 -8.030 -11.285 1.00 0.00 H new ATOM 470 N LEU A 30 -6.659 -1.856 -7.069 1.00 0.00 N ATOM 471 CA LEU A 30 -6.919 -0.704 -6.213 1.00 0.00 C ATOM 472 C LEU A 30 -6.320 0.565 -6.811 1.00 0.00 C ATOM 473 O LEU A 30 -5.549 0.507 -7.767 1.00 0.00 O ATOM 474 CB LEU A 30 -6.344 -0.943 -4.815 1.00 0.00 C ATOM 475 CG LEU A 30 -7.168 -1.845 -3.896 1.00 0.00 C ATOM 476 CD1 LEU A 30 -6.469 -2.025 -2.558 1.00 0.00 C ATOM 477 CD2 LEU A 30 -8.564 -1.273 -3.698 1.00 0.00 C ATOM 0 H LEU A 30 -5.834 -2.397 -6.809 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.999 -0.574 -6.138 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.350 -1.378 -4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.218 0.023 -4.326 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.262 -2.823 -4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.070 -2.670 -1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.492 -2.481 -2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.343 -1.054 -2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.136 -1.928 -3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.491 -0.283 -3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.066 -1.198 -4.662 1.00 0.00 H new ATOM 489 N GLU A 31 -6.681 1.710 -6.239 1.00 0.00 N ATOM 490 CA GLU A 31 -6.178 2.993 -6.716 1.00 0.00 C ATOM 491 C GLU A 31 -5.447 3.738 -5.603 1.00 0.00 C ATOM 492 O GLU A 31 -4.381 4.313 -5.823 1.00 0.00 O ATOM 493 CB GLU A 31 -7.328 3.850 -7.249 1.00 0.00 C ATOM 494 CG GLU A 31 -6.996 5.331 -7.331 1.00 0.00 C ATOM 495 CD GLU A 31 -6.023 5.649 -8.449 1.00 0.00 C ATOM 496 OE1 GLU A 31 -6.055 4.949 -9.482 1.00 0.00 O ATOM 497 OE2 GLU A 31 -5.229 6.600 -8.291 1.00 0.00 O ATOM 0 H GLU A 31 -7.319 1.775 -5.446 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.473 2.801 -7.525 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.607 3.493 -8.241 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.198 3.716 -6.606 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.915 5.898 -7.482 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.572 5.658 -6.381 1.00 0.00 H new ATOM 504 N ARG A 32 -6.028 3.723 -4.408 1.00 0.00 N ATOM 505 CA ARG A 32 -5.433 4.399 -3.261 1.00 0.00 C ATOM 506 C ARG A 32 -5.443 3.494 -2.032 1.00 0.00 C ATOM 507 O ARG A 32 -6.152 2.488 -1.994 1.00 0.00 O ATOM 508 CB ARG A 32 -6.187 5.696 -2.959 1.00 0.00 C ATOM 509 CG ARG A 32 -7.613 5.474 -2.482 1.00 0.00 C ATOM 510 CD ARG A 32 -8.299 6.790 -2.148 1.00 0.00 C ATOM 511 NE ARG A 32 -8.913 7.401 -3.323 1.00 0.00 N ATOM 512 CZ ARG A 32 -9.595 8.541 -3.287 1.00 0.00 C ATOM 513 NH1 ARG A 32 -9.748 9.189 -2.141 1.00 0.00 N ATOM 514 NH2 ARG A 32 -10.124 9.034 -4.400 1.00 0.00 N ATOM 0 H ARG A 32 -6.910 3.250 -4.209 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.398 4.637 -3.507 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.641 6.255 -2.199 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.205 6.313 -3.857 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.179 4.953 -3.254 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.608 4.831 -1.602 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.062 6.619 -1.388 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.572 7.479 -1.719 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.813 6.927 -4.221 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.342 8.813 -1.284 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.272 10.064 -2.116 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.007 8.538 -5.283 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.647 9.909 -4.372 1.00 0.00 H new ATOM 528 N VAL A 33 -4.651 3.859 -1.029 1.00 0.00 N ATOM 529 CA VAL A 33 -4.569 3.081 0.202 1.00 0.00 C ATOM 530 C VAL A 33 -4.774 3.966 1.426 1.00 0.00 C ATOM 531 O VAL A 33 -4.935 5.181 1.307 1.00 0.00 O ATOM 532 CB VAL A 33 -3.211 2.363 0.322 1.00 0.00 C ATOM 533 CG1 VAL A 33 -3.167 1.147 -0.590 1.00 0.00 C ATOM 534 CG2 VAL A 33 -2.073 3.320 0.003 1.00 0.00 C ATOM 0 H VAL A 33 -4.057 4.688 -1.044 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.363 2.336 0.160 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.090 2.021 1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.200 0.653 -0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.959 0.453 -0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.310 1.462 -1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.121 2.796 0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.187 3.694 -1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.094 4.156 0.702 1.00 0.00 H new ATOM 544 N TYR A 34 -4.766 3.349 2.602 1.00 0.00 N ATOM 545 CA TYR A 34 -4.953 4.081 3.850 1.00 0.00 C ATOM 546 C TYR A 34 -3.869 3.719 4.861 1.00 0.00 C ATOM 547 O TYR A 34 -3.739 2.563 5.264 1.00 0.00 O ATOM 548 CB TYR A 34 -6.333 3.784 4.437 1.00 0.00 C ATOM 549 CG TYR A 34 -6.532 4.342 5.829 1.00 0.00 C ATOM 550 CD1 TYR A 34 -5.813 5.447 6.265 1.00 0.00 C ATOM 551 CD2 TYR A 34 -7.441 3.763 6.707 1.00 0.00 C ATOM 552 CE1 TYR A 34 -5.991 5.960 7.535 1.00 0.00 C ATOM 553 CE2 TYR A 34 -7.626 4.270 7.978 1.00 0.00 C ATOM 554 CZ TYR A 34 -6.899 5.368 8.388 1.00 0.00 C ATOM 555 OH TYR A 34 -7.080 5.876 9.654 1.00 0.00 O ATOM 0 H TYR A 34 -4.632 2.344 2.718 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.880 5.146 3.632 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.096 4.197 3.777 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.483 2.705 4.462 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.102 5.914 5.599 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.012 2.903 6.390 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.423 6.820 7.858 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.337 3.809 8.648 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.755 5.345 10.126 1.00 0.00 H new ATOM 565 N VAL A 35 -3.092 4.718 5.269 1.00 0.00 N ATOM 566 CA VAL A 35 -2.020 4.508 6.234 1.00 0.00 C ATOM 567 C VAL A 35 -2.553 4.538 7.662 1.00 0.00 C ATOM 568 O VAL A 35 -2.704 5.605 8.257 1.00 0.00 O ATOM 569 CB VAL A 35 -0.917 5.573 6.088 1.00 0.00 C ATOM 570 CG1 VAL A 35 0.281 5.223 6.958 1.00 0.00 C ATOM 571 CG2 VAL A 35 -0.504 5.715 4.631 1.00 0.00 C ATOM 0 H VAL A 35 -3.185 5.681 4.946 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.596 3.525 6.027 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.313 6.531 6.425 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.050 5.986 6.842 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.029 5.176 8.002 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.681 4.256 6.654 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.276 6.472 4.546 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.125 4.761 4.266 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.367 6.015 4.036 1.00 0.00 H new ATOM 581 N GLU A 36 -2.837 3.359 8.207 1.00 0.00 N ATOM 582 CA GLU A 36 -3.353 3.250 9.566 1.00 0.00 C ATOM 583 C GLU A 36 -2.379 3.862 10.569 1.00 0.00 C ATOM 584 O GLU A 36 -1.394 3.235 10.955 1.00 0.00 O ATOM 585 CB GLU A 36 -3.614 1.785 9.921 1.00 0.00 C ATOM 586 CG GLU A 36 -3.653 1.518 11.416 1.00 0.00 C ATOM 587 CD GLU A 36 -4.115 0.112 11.746 1.00 0.00 C ATOM 588 OE1 GLU A 36 -3.307 -0.829 11.596 1.00 0.00 O ATOM 589 OE2 GLU A 36 -5.284 -0.048 12.154 1.00 0.00 O ATOM 0 H GLU A 36 -2.718 2.466 7.728 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.292 3.801 9.615 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.562 1.477 9.481 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.837 1.167 9.470 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.660 1.678 11.836 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.320 2.237 11.892 1.00 0.00 H new ATOM 596 N GLY A 37 -2.663 5.092 10.986 1.00 0.00 N ATOM 597 CA GLY A 37 -1.804 5.769 11.940 1.00 0.00 C ATOM 598 C GLY A 37 -1.672 7.251 11.651 1.00 0.00 C ATOM 599 O GLY A 37 -1.806 8.081 12.551 1.00 0.00 O ATOM 0 H GLY A 37 -3.473 5.632 10.680 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.203 5.632 12.945 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.816 5.309 11.924 1.00 0.00 H new ATOM 603 N HIS A 38 -1.407 7.586 10.392 1.00 0.00 N ATOM 604 CA HIS A 38 -1.255 8.979 9.987 1.00 0.00 C ATOM 605 C HIS A 38 -2.473 9.451 9.199 1.00 0.00 C ATOM 606 O HIS A 38 -3.344 10.137 9.734 1.00 0.00 O ATOM 607 CB HIS A 38 0.010 9.153 9.146 1.00 0.00 C ATOM 608 CG HIS A 38 1.275 8.919 9.912 1.00 0.00 C ATOM 609 ND1 HIS A 38 2.523 9.231 9.417 1.00 0.00 N ATOM 610 CD2 HIS A 38 1.480 8.402 11.146 1.00 0.00 C ATOM 611 CE1 HIS A 38 3.442 8.914 10.312 1.00 0.00 C ATOM 612 NE2 HIS A 38 2.835 8.409 11.371 1.00 0.00 N ATOM 0 H HIS A 38 -1.293 6.912 9.635 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.169 9.586 10.888 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.027 8.464 8.302 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.026 10.162 8.733 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.720 8.050 11.827 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.508 9.045 10.197 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.297 8.078 12.218 1.00 0.00 H new ATOM 620 N GLY A 39 -2.528 9.079 7.923 1.00 0.00 N ATOM 621 CA GLY A 39 -3.643 9.474 7.082 1.00 0.00 C ATOM 622 C GLY A 39 -3.763 8.616 5.839 1.00 0.00 C ATOM 623 O GLY A 39 -2.976 7.692 5.635 1.00 0.00 O ATOM 0 H GLY A 39 -1.820 8.511 7.457 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.568 9.409 7.655 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.522 10.517 6.790 1.00 0.00 H new ATOM 627 N TRP A 40 -4.753 8.920 5.007 1.00 0.00 N ATOM 628 CA TRP A 40 -4.975 8.167 3.777 1.00 0.00 C ATOM 629 C TRP A 40 -3.952 8.549 2.713 1.00 0.00 C ATOM 630 O TRP A 40 -3.562 9.711 2.603 1.00 0.00 O ATOM 631 CB TRP A 40 -6.391 8.414 3.253 1.00 0.00 C ATOM 632 CG TRP A 40 -7.410 7.482 3.834 1.00 0.00 C ATOM 633 CD1 TRP A 40 -7.963 7.547 5.082 1.00 0.00 C ATOM 634 CD2 TRP A 40 -7.996 6.344 3.192 1.00 0.00 C ATOM 635 NE1 TRP A 40 -8.858 6.518 5.253 1.00 0.00 N ATOM 636 CE2 TRP A 40 -8.897 5.767 4.109 1.00 0.00 C ATOM 637 CE3 TRP A 40 -7.850 5.759 1.932 1.00 0.00 C ATOM 638 CZ2 TRP A 40 -9.645 4.633 3.803 1.00 0.00 C ATOM 639 CZ3 TRP A 40 -8.593 4.633 1.630 1.00 0.00 C ATOM 640 CH2 TRP A 40 -9.481 4.080 2.561 1.00 0.00 C ATOM 0 H TRP A 40 -5.414 9.681 5.161 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.858 7.107 4.002 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.679 9.441 3.476 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.392 8.311 2.168 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.731 8.296 5.824 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.405 6.342 6.096 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -7.169 6.179 1.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -10.330 4.205 4.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -8.487 4.172 0.659 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.048 3.200 2.294 1.00 0.00 H new ATOM 651 N ARG A 41 -3.522 7.564 1.932 1.00 0.00 N ATOM 652 CA ARG A 41 -2.543 7.797 0.877 1.00 0.00 C ATOM 653 C ARG A 41 -3.033 7.235 -0.454 1.00 0.00 C ATOM 654 O ARG A 41 -3.931 6.395 -0.491 1.00 0.00 O ATOM 655 CB ARG A 41 -1.201 7.162 1.247 1.00 0.00 C ATOM 656 CG ARG A 41 -0.378 7.997 2.215 1.00 0.00 C ATOM 657 CD ARG A 41 0.304 9.158 1.508 1.00 0.00 C ATOM 658 NE ARG A 41 1.256 9.844 2.377 1.00 0.00 N ATOM 659 CZ ARG A 41 0.911 10.786 3.247 1.00 0.00 C ATOM 660 NH1 ARG A 41 -0.358 11.152 3.364 1.00 0.00 N ATOM 661 NH2 ARG A 41 1.835 11.364 4.003 1.00 0.00 N ATOM 0 H ARG A 41 -3.836 6.597 2.010 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.411 8.874 0.771 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.382 6.182 1.689 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.622 7.000 0.338 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.023 8.379 3.006 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.373 7.368 2.692 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.822 8.790 0.622 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.450 9.867 1.165 1.00 0.00 H new ATOM 0 HE ARG A 41 2.241 9.585 2.312 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.072 10.710 2.785 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.620 11.876 4.033 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.812 11.085 3.917 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.568 12.087 4.671 1.00 0.00 H new ATOM 675 N ALA A 42 -2.438 7.707 -1.545 1.00 0.00 N ATOM 676 CA ALA A 42 -2.813 7.251 -2.878 1.00 0.00 C ATOM 677 C ALA A 42 -1.665 6.503 -3.546 1.00 0.00 C ATOM 678 O ALA A 42 -0.494 6.777 -3.278 1.00 0.00 O ATOM 679 CB ALA A 42 -3.249 8.429 -3.736 1.00 0.00 C ATOM 0 H ALA A 42 -1.694 8.405 -1.532 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.650 6.561 -2.776 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.526 8.073 -4.728 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.106 8.918 -3.274 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.428 9.140 -3.822 1.00 0.00 H new ATOM 685 N ILE A 43 -2.006 5.558 -4.415 1.00 0.00 N ATOM 686 CA ILE A 43 -1.002 4.771 -5.121 1.00 0.00 C ATOM 687 C ILE A 43 -0.653 5.404 -6.464 1.00 0.00 C ATOM 688 O ILE A 43 -1.534 5.693 -7.272 1.00 0.00 O ATOM 689 CB ILE A 43 -1.482 3.327 -5.356 1.00 0.00 C ATOM 690 CG1 ILE A 43 -1.768 2.637 -4.021 1.00 0.00 C ATOM 691 CG2 ILE A 43 -0.445 2.547 -6.150 1.00 0.00 C ATOM 692 CD1 ILE A 43 -2.021 1.151 -4.150 1.00 0.00 C ATOM 0 H ILE A 43 -2.970 5.318 -4.647 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.114 4.751 -4.489 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.406 3.357 -5.933 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.923 2.797 -3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.636 3.106 -3.558 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.799 1.528 -6.308 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.286 3.030 -7.114 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.494 2.523 -5.597 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.216 0.728 -3.164 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.884 0.983 -4.794 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.145 0.669 -4.584 1.00 0.00 H new ATOM 704 N GLU A 44 0.639 5.615 -6.694 1.00 0.00 N ATOM 705 CA GLU A 44 1.105 6.212 -7.940 1.00 0.00 C ATOM 706 C GLU A 44 1.713 5.155 -8.857 1.00 0.00 C ATOM 707 O GLU A 44 1.517 5.184 -10.072 1.00 0.00 O ATOM 708 CB GLU A 44 2.135 7.307 -7.653 1.00 0.00 C ATOM 709 CG GLU A 44 1.573 8.481 -6.869 1.00 0.00 C ATOM 710 CD GLU A 44 0.981 9.551 -7.766 1.00 0.00 C ATOM 711 OE1 GLU A 44 -0.024 9.265 -8.448 1.00 0.00 O ATOM 712 OE2 GLU A 44 1.525 10.676 -7.784 1.00 0.00 O ATOM 0 H GLU A 44 1.381 5.382 -6.034 1.00 0.00 H new ATOM 0 HA GLU A 44 0.246 6.654 -8.444 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.967 6.875 -7.097 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.538 7.672 -8.598 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.806 8.121 -6.183 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.364 8.919 -6.261 1.00 0.00 H new ATOM 719 N ASP A 45 2.452 4.222 -8.266 1.00 0.00 N ATOM 720 CA ASP A 45 3.089 3.155 -9.028 1.00 0.00 C ATOM 721 C ASP A 45 3.473 1.992 -8.118 1.00 0.00 C ATOM 722 O ASP A 45 4.067 2.189 -7.058 1.00 0.00 O ATOM 723 CB ASP A 45 4.330 3.684 -9.750 1.00 0.00 C ATOM 724 CG ASP A 45 3.979 4.602 -10.904 1.00 0.00 C ATOM 725 OD1 ASP A 45 3.385 4.117 -11.890 1.00 0.00 O ATOM 726 OD2 ASP A 45 4.299 5.807 -10.822 1.00 0.00 O ATOM 0 H ASP A 45 2.624 4.183 -7.261 1.00 0.00 H new ATOM 0 HA ASP A 45 2.374 2.795 -9.768 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.959 4.221 -9.040 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.916 2.844 -10.123 1.00 0.00 H new ATOM 731 N LEU A 46 3.129 0.780 -8.539 1.00 0.00 N ATOM 732 CA LEU A 46 3.436 -0.416 -7.762 1.00 0.00 C ATOM 733 C LEU A 46 3.636 -1.622 -8.674 1.00 0.00 C ATOM 734 O LEU A 46 3.161 -1.639 -9.810 1.00 0.00 O ATOM 735 CB LEU A 46 2.314 -0.700 -6.761 1.00 0.00 C ATOM 736 CG LEU A 46 1.076 -1.399 -7.322 1.00 0.00 C ATOM 737 CD1 LEU A 46 1.320 -2.894 -7.453 1.00 0.00 C ATOM 738 CD2 LEU A 46 -0.135 -1.129 -6.440 1.00 0.00 C ATOM 0 H LEU A 46 2.637 0.599 -9.414 1.00 0.00 H new ATOM 0 HA LEU A 46 4.364 -0.237 -7.218 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.719 -1.313 -5.956 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.003 0.245 -6.316 1.00 0.00 H new ATOM 0 HG LEU A 46 0.874 -0.997 -8.315 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.428 -3.375 -7.854 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.159 -3.068 -8.126 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.548 -3.313 -6.473 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.007 -1.634 -6.855 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.057 -1.503 -5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.323 -0.056 -6.399 1.00 0.00 H new ATOM 750 N TYR A 47 4.341 -2.628 -8.169 1.00 0.00 N ATOM 751 CA TYR A 47 4.605 -3.838 -8.939 1.00 0.00 C ATOM 752 C TYR A 47 5.108 -4.960 -8.035 1.00 0.00 C ATOM 753 O TYR A 47 5.827 -4.715 -7.066 1.00 0.00 O ATOM 754 CB TYR A 47 5.629 -3.556 -10.039 1.00 0.00 C ATOM 755 CG TYR A 47 6.662 -2.521 -9.652 1.00 0.00 C ATOM 756 CD1 TYR A 47 7.600 -2.783 -8.661 1.00 0.00 C ATOM 757 CD2 TYR A 47 6.702 -1.282 -10.280 1.00 0.00 C ATOM 758 CE1 TYR A 47 8.545 -1.841 -8.304 1.00 0.00 C ATOM 759 CE2 TYR A 47 7.644 -0.334 -9.931 1.00 0.00 C ATOM 760 CZ TYR A 47 8.563 -0.618 -8.942 1.00 0.00 C ATOM 761 OH TYR A 47 9.504 0.323 -8.591 1.00 0.00 O ATOM 0 H TYR A 47 4.740 -2.630 -7.230 1.00 0.00 H new ATOM 0 HA TYR A 47 3.669 -4.157 -9.398 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.137 -4.485 -10.298 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.106 -3.218 -10.934 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.590 -3.740 -8.161 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.984 -1.056 -11.055 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.266 -2.061 -7.530 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.661 0.624 -10.429 1.00 0.00 H new ATOM 0 HH TYR A 47 9.166 0.861 -7.844 1.00 0.00 H new ATOM 771 N ARG A 48 4.725 -6.190 -8.360 1.00 0.00 N ATOM 772 CA ARG A 48 5.136 -7.350 -7.578 1.00 0.00 C ATOM 773 C ARG A 48 6.531 -7.814 -7.987 1.00 0.00 C ATOM 774 O ARG A 48 6.704 -8.454 -9.025 1.00 0.00 O ATOM 775 CB ARG A 48 4.134 -8.492 -7.756 1.00 0.00 C ATOM 776 CG ARG A 48 3.778 -8.770 -9.207 1.00 0.00 C ATOM 777 CD ARG A 48 2.909 -10.011 -9.340 1.00 0.00 C ATOM 778 NE ARG A 48 3.677 -11.239 -9.157 1.00 0.00 N ATOM 779 CZ ARG A 48 3.122 -12.435 -8.994 1.00 0.00 C ATOM 780 NH1 ARG A 48 1.803 -12.563 -8.991 1.00 0.00 N ATOM 781 NH2 ARG A 48 3.888 -13.507 -8.834 1.00 0.00 N ATOM 0 H ARG A 48 4.131 -6.409 -9.159 1.00 0.00 H new ATOM 0 HA ARG A 48 5.162 -7.059 -6.528 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.546 -9.398 -7.312 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.223 -8.254 -7.207 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.253 -7.911 -9.625 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.691 -8.900 -9.788 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.107 -9.972 -8.603 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.439 -10.021 -10.323 1.00 0.00 H new ATOM 0 HE ARG A 48 4.695 -11.175 -9.154 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.211 -11.742 -9.114 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.380 -13.483 -8.866 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.904 -13.413 -8.836 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.461 -14.425 -8.709 1.00 0.00 H new ATOM 795 N VAL A 49 7.522 -7.488 -7.165 1.00 0.00 N ATOM 796 CA VAL A 49 8.902 -7.871 -7.440 1.00 0.00 C ATOM 797 C VAL A 49 9.185 -9.288 -6.954 1.00 0.00 C ATOM 798 O VAL A 49 9.308 -9.532 -5.754 1.00 0.00 O ATOM 799 CB VAL A 49 9.897 -6.903 -6.773 1.00 0.00 C ATOM 800 CG1 VAL A 49 11.327 -7.374 -6.991 1.00 0.00 C ATOM 801 CG2 VAL A 49 9.705 -5.492 -7.307 1.00 0.00 C ATOM 0 H VAL A 49 7.395 -6.959 -6.302 1.00 0.00 H new ATOM 0 HA VAL A 49 9.034 -7.827 -8.521 1.00 0.00 H new ATOM 0 HB VAL A 49 9.703 -6.891 -5.700 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.016 -6.678 -6.513 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.454 -8.366 -6.557 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.537 -7.416 -8.060 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.416 -4.821 -6.825 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.872 -5.485 -8.384 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.689 -5.158 -7.095 1.00 0.00 H new ATOM 811 N GLY A 50 9.289 -10.222 -7.896 1.00 0.00 N ATOM 812 CA GLY A 50 9.557 -11.604 -7.544 1.00 0.00 C ATOM 813 C GLY A 50 8.488 -12.192 -6.645 1.00 0.00 C ATOM 814 O GLY A 50 7.404 -12.545 -7.109 1.00 0.00 O ATOM 0 H GLY A 50 9.192 -10.046 -8.896 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.630 -12.200 -8.454 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.523 -11.667 -7.043 1.00 0.00 H new ATOM 818 N GLU A 51 8.794 -12.299 -5.356 1.00 0.00 N ATOM 819 CA GLU A 51 7.850 -12.852 -4.391 1.00 0.00 C ATOM 820 C GLU A 51 7.406 -11.786 -3.393 1.00 0.00 C ATOM 821 O GLU A 51 7.029 -12.099 -2.264 1.00 0.00 O ATOM 822 CB GLU A 51 8.478 -14.032 -3.649 1.00 0.00 C ATOM 823 CG GLU A 51 8.647 -15.273 -4.509 1.00 0.00 C ATOM 824 CD GLU A 51 9.190 -16.455 -3.730 1.00 0.00 C ATOM 825 OE1 GLU A 51 10.092 -16.249 -2.892 1.00 0.00 O ATOM 826 OE2 GLU A 51 8.711 -17.586 -3.959 1.00 0.00 O ATOM 0 H GLU A 51 9.687 -12.011 -4.956 1.00 0.00 H new ATOM 0 HA GLU A 51 6.974 -13.201 -4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.453 -13.731 -3.265 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.858 -14.279 -2.787 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.685 -15.542 -4.945 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.320 -15.048 -5.336 1.00 0.00 H new ATOM 833 N GLU A 52 7.457 -10.528 -3.818 1.00 0.00 N ATOM 834 CA GLU A 52 7.061 -9.416 -2.960 1.00 0.00 C ATOM 835 C GLU A 52 6.420 -8.299 -3.779 1.00 0.00 C ATOM 836 O GLU A 52 6.347 -8.376 -5.006 1.00 0.00 O ATOM 837 CB GLU A 52 8.273 -8.875 -2.199 1.00 0.00 C ATOM 838 CG GLU A 52 8.959 -9.914 -1.328 1.00 0.00 C ATOM 839 CD GLU A 52 9.883 -9.294 -0.298 1.00 0.00 C ATOM 840 OE1 GLU A 52 9.391 -8.525 0.554 1.00 0.00 O ATOM 841 OE2 GLU A 52 11.098 -9.580 -0.343 1.00 0.00 O ATOM 0 H GLU A 52 7.768 -10.253 -4.750 1.00 0.00 H new ATOM 0 HA GLU A 52 6.327 -9.785 -2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.994 -8.480 -2.915 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.956 -8.041 -1.573 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.203 -10.512 -0.819 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.530 -10.593 -1.961 1.00 0.00 H new ATOM 848 N LEU A 53 5.957 -7.261 -3.091 1.00 0.00 N ATOM 849 CA LEU A 53 5.321 -6.127 -3.752 1.00 0.00 C ATOM 850 C LEU A 53 5.836 -4.808 -3.186 1.00 0.00 C ATOM 851 O LEU A 53 6.120 -4.701 -1.993 1.00 0.00 O ATOM 852 CB LEU A 53 3.802 -6.205 -3.593 1.00 0.00 C ATOM 853 CG LEU A 53 3.042 -6.891 -4.729 1.00 0.00 C ATOM 854 CD1 LEU A 53 1.805 -7.597 -4.195 1.00 0.00 C ATOM 855 CD2 LEU A 53 2.661 -5.882 -5.802 1.00 0.00 C ATOM 0 H LEU A 53 6.010 -7.181 -2.076 1.00 0.00 H new ATOM 0 HA LEU A 53 5.572 -6.169 -4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.581 -6.732 -2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.416 -5.192 -3.484 1.00 0.00 H new ATOM 0 HG LEU A 53 3.696 -7.639 -5.178 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.277 -8.079 -5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.102 -8.349 -3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.148 -6.869 -3.719 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.121 -6.388 -6.602 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.026 -5.111 -5.367 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.563 -5.423 -6.207 1.00 0.00 H new ATOM 867 N VAL A 54 5.953 -3.804 -4.050 1.00 0.00 N ATOM 868 CA VAL A 54 6.430 -2.491 -3.636 1.00 0.00 C ATOM 869 C VAL A 54 5.483 -1.390 -4.100 1.00 0.00 C ATOM 870 O VAL A 54 5.383 -1.104 -5.293 1.00 0.00 O ATOM 871 CB VAL A 54 7.840 -2.206 -4.189 1.00 0.00 C ATOM 872 CG1 VAL A 54 8.311 -0.823 -3.763 1.00 0.00 C ATOM 873 CG2 VAL A 54 8.818 -3.276 -3.730 1.00 0.00 C ATOM 0 H VAL A 54 5.724 -3.876 -5.041 1.00 0.00 H new ATOM 0 HA VAL A 54 6.469 -2.498 -2.547 1.00 0.00 H new ATOM 0 HB VAL A 54 7.796 -2.229 -5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.308 -0.639 -4.163 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.622 -0.070 -4.146 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.340 -0.768 -2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.809 -3.059 -4.130 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.861 -3.287 -2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.487 -4.250 -4.090 1.00 0.00 H new ATOM 883 N VAL A 55 4.787 -0.776 -3.148 1.00 0.00 N ATOM 884 CA VAL A 55 3.848 0.295 -3.458 1.00 0.00 C ATOM 885 C VAL A 55 4.476 1.664 -3.217 1.00 0.00 C ATOM 886 O VAL A 55 5.112 1.895 -2.189 1.00 0.00 O ATOM 887 CB VAL A 55 2.564 0.177 -2.615 1.00 0.00 C ATOM 888 CG1 VAL A 55 1.638 1.353 -2.884 1.00 0.00 C ATOM 889 CG2 VAL A 55 1.860 -1.142 -2.900 1.00 0.00 C ATOM 0 H VAL A 55 4.856 -1.002 -2.156 1.00 0.00 H new ATOM 0 HA VAL A 55 3.592 0.196 -4.513 1.00 0.00 H new ATOM 0 HB VAL A 55 2.839 0.196 -1.561 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.737 1.252 -2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.146 2.282 -2.626 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.367 1.369 -3.940 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.955 -1.209 -2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.596 -1.193 -3.956 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.524 -1.970 -2.652 1.00 0.00 H new ATOM 899 N HIS A 56 4.292 2.569 -4.173 1.00 0.00 N ATOM 900 CA HIS A 56 4.839 3.917 -4.065 1.00 0.00 C ATOM 901 C HIS A 56 3.746 4.921 -3.713 1.00 0.00 C ATOM 902 O HIS A 56 3.016 5.392 -4.586 1.00 0.00 O ATOM 903 CB HIS A 56 5.517 4.321 -5.374 1.00 0.00 C ATOM 904 CG HIS A 56 6.847 3.667 -5.587 1.00 0.00 C ATOM 905 ND1 HIS A 56 8.045 4.287 -5.300 1.00 0.00 N ATOM 906 CD2 HIS A 56 7.165 2.440 -6.061 1.00 0.00 C ATOM 907 CE1 HIS A 56 9.042 3.470 -5.589 1.00 0.00 C ATOM 908 NE2 HIS A 56 8.535 2.342 -6.052 1.00 0.00 N ATOM 0 H HIS A 56 3.769 2.394 -5.031 1.00 0.00 H new ATOM 0 HA HIS A 56 5.580 3.919 -3.265 1.00 0.00 H new ATOM 0 HB2 HIS A 56 4.860 4.069 -6.207 1.00 0.00 H new ATOM 0 HB3 HIS A 56 5.647 5.403 -5.387 1.00 0.00 H new ATOM 0 HD1 HIS A 56 8.146 5.230 -4.923 1.00 0.00 H new ATOM 0 HD2 HIS A 56 6.471 1.679 -6.386 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.093 3.688 -5.467 1.00 0.00 H new ATOM 916 N LEU A 57 3.637 5.244 -2.429 1.00 0.00 N ATOM 917 CA LEU A 57 2.632 6.192 -1.961 1.00 0.00 C ATOM 918 C LEU A 57 2.961 7.607 -2.423 1.00 0.00 C ATOM 919 O LEU A 57 4.129 7.983 -2.519 1.00 0.00 O ATOM 920 CB LEU A 57 2.535 6.150 -0.435 1.00 0.00 C ATOM 921 CG LEU A 57 2.194 4.792 0.180 1.00 0.00 C ATOM 922 CD1 LEU A 57 2.351 4.836 1.692 1.00 0.00 C ATOM 923 CD2 LEU A 57 0.780 4.375 -0.199 1.00 0.00 C ATOM 0 H LEU A 57 4.232 4.863 -1.693 1.00 0.00 H new ATOM 0 HA LEU A 57 1.671 5.905 -2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.486 6.485 -0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.779 6.869 -0.119 1.00 0.00 H new ATOM 0 HG LEU A 57 2.889 4.051 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.104 3.861 2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.381 5.089 1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.681 5.589 2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.554 3.406 0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.071 5.117 0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.701 4.302 -1.284 1.00 0.00 H new ATOM 935 N ALA A 58 1.924 8.389 -2.705 1.00 0.00 N ATOM 936 CA ALA A 58 2.103 9.764 -3.153 1.00 0.00 C ATOM 937 C ALA A 58 2.672 10.635 -2.037 1.00 0.00 C ATOM 938 O ALA A 58 2.081 10.751 -0.965 1.00 0.00 O ATOM 939 CB ALA A 58 0.783 10.334 -3.649 1.00 0.00 C ATOM 0 H ALA A 58 0.951 8.093 -2.631 1.00 0.00 H new ATOM 0 HA ALA A 58 2.817 9.762 -3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.932 11.362 -3.980 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.417 9.733 -4.482 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.052 10.316 -2.841 1.00 0.00 H new ATOM 945 N GLY A 59 3.824 11.245 -2.298 1.00 0.00 N ATOM 946 CA GLY A 59 4.453 12.096 -1.305 1.00 0.00 C ATOM 947 C GLY A 59 5.770 11.532 -0.808 1.00 0.00 C ATOM 948 O GLY A 59 6.770 12.245 -0.733 1.00 0.00 O ATOM 0 H GLY A 59 4.333 11.165 -3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.623 13.084 -1.733 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.776 12.226 -0.461 1.00 0.00 H new ATOM 952 N VAL A 60 5.769 10.248 -0.465 1.00 0.00 N ATOM 953 CA VAL A 60 6.972 9.588 0.029 1.00 0.00 C ATOM 954 C VAL A 60 7.973 9.356 -1.098 1.00 0.00 C ATOM 955 O VAL A 60 7.880 8.374 -1.835 1.00 0.00 O ATOM 956 CB VAL A 60 6.640 8.238 0.692 1.00 0.00 C ATOM 957 CG1 VAL A 60 7.915 7.517 1.103 1.00 0.00 C ATOM 958 CG2 VAL A 60 5.725 8.444 1.889 1.00 0.00 C ATOM 0 H VAL A 60 4.949 9.644 -0.520 1.00 0.00 H new ATOM 0 HA VAL A 60 7.414 10.250 0.773 1.00 0.00 H new ATOM 0 HB VAL A 60 6.117 7.615 -0.034 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.661 6.565 1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.531 7.336 0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.468 8.132 1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.500 7.480 2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.220 9.085 2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.798 8.915 1.562 1.00 0.00 H new ATOM 968 N THR A 61 8.933 10.267 -1.226 1.00 0.00 N ATOM 969 CA THR A 61 9.952 10.162 -2.263 1.00 0.00 C ATOM 970 C THR A 61 11.331 9.930 -1.657 1.00 0.00 C ATOM 971 O THR A 61 12.269 9.541 -2.354 1.00 0.00 O ATOM 972 CB THR A 61 9.995 11.429 -3.138 1.00 0.00 C ATOM 973 OG1 THR A 61 10.276 12.576 -2.327 1.00 0.00 O ATOM 974 CG2 THR A 61 8.675 11.629 -3.866 1.00 0.00 C ATOM 0 H THR A 61 9.026 11.085 -0.624 1.00 0.00 H new ATOM 0 HA THR A 61 9.683 9.308 -2.885 1.00 0.00 H new ATOM 0 HB THR A 61 10.785 11.305 -3.878 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.303 13.377 -2.891 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.730 12.530 -4.477 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.478 10.768 -4.505 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.870 11.733 -3.138 1.00 0.00 H new ATOM 982 N ASP A 62 11.449 10.170 -0.355 1.00 0.00 N ATOM 983 CA ASP A 62 12.714 9.985 0.346 1.00 0.00 C ATOM 984 C ASP A 62 12.620 8.834 1.342 1.00 0.00 C ATOM 985 O ASP A 62 11.549 8.551 1.880 1.00 0.00 O ATOM 986 CB ASP A 62 13.113 11.271 1.070 1.00 0.00 C ATOM 987 CG ASP A 62 11.952 11.901 1.814 1.00 0.00 C ATOM 988 OD1 ASP A 62 11.192 12.668 1.186 1.00 0.00 O ATOM 989 OD2 ASP A 62 11.804 11.628 3.023 1.00 0.00 O ATOM 0 H ASP A 62 10.683 10.493 0.236 1.00 0.00 H new ATOM 0 HA ASP A 62 13.478 9.741 -0.392 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.917 11.054 1.774 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.507 11.985 0.346 1.00 0.00 H new ATOM 994 N ARG A 63 13.748 8.173 1.583 1.00 0.00 N ATOM 995 CA ARG A 63 13.792 7.051 2.513 1.00 0.00 C ATOM 996 C ARG A 63 13.101 7.406 3.826 1.00 0.00 C ATOM 997 O ARG A 63 12.221 6.682 4.293 1.00 0.00 O ATOM 998 CB ARG A 63 15.241 6.640 2.781 1.00 0.00 C ATOM 999 CG ARG A 63 15.384 5.221 3.306 1.00 0.00 C ATOM 1000 CD ARG A 63 16.844 4.806 3.400 1.00 0.00 C ATOM 1001 NE ARG A 63 16.997 3.461 3.948 1.00 0.00 N ATOM 1002 CZ ARG A 63 18.100 2.734 3.813 1.00 0.00 C ATOM 1003 NH1 ARG A 63 19.142 3.219 3.152 1.00 0.00 N ATOM 1004 NH2 ARG A 63 18.163 1.518 4.341 1.00 0.00 N ATOM 0 H ARG A 63 14.643 8.395 1.147 1.00 0.00 H new ATOM 0 HA ARG A 63 13.262 6.214 2.059 1.00 0.00 H new ATOM 0 HB2 ARG A 63 15.814 6.737 1.859 1.00 0.00 H new ATOM 0 HB3 ARG A 63 15.678 7.331 3.502 1.00 0.00 H new ATOM 0 HG2 ARG A 63 14.920 5.147 4.289 1.00 0.00 H new ATOM 0 HG3 ARG A 63 14.851 4.534 2.649 1.00 0.00 H new ATOM 0 HD2 ARG A 63 17.297 4.847 2.409 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.383 5.516 4.027 1.00 0.00 H new ATOM 0 HE ARG A 63 16.214 3.058 4.463 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.098 4.153 2.745 1.00 0.00 H new ATOM 0 HH12 ARG A 63 19.988 2.658 3.050 1.00 0.00 H new ATOM 0 HH21 ARG A 63 17.364 1.141 4.851 1.00 0.00 H new ATOM 0 HH22 ARG A 63 19.011 0.960 4.237 1.00 0.00 H new ATOM 1018 N THR A 64 13.507 8.525 4.419 1.00 0.00 N ATOM 1019 CA THR A 64 12.929 8.975 5.679 1.00 0.00 C ATOM 1020 C THR A 64 11.409 8.858 5.660 1.00 0.00 C ATOM 1021 O THR A 64 10.825 8.095 6.430 1.00 0.00 O ATOM 1022 CB THR A 64 13.317 10.434 5.985 1.00 0.00 C ATOM 1023 OG1 THR A 64 14.741 10.577 5.964 1.00 0.00 O ATOM 1024 CG2 THR A 64 12.778 10.864 7.341 1.00 0.00 C ATOM 0 H THR A 64 14.234 9.136 4.046 1.00 0.00 H new ATOM 0 HA THR A 64 13.330 8.329 6.460 1.00 0.00 H new ATOM 0 HB THR A 64 12.878 11.072 5.218 1.00 0.00 H new ATOM 0 HG1 THR A 64 14.979 11.508 6.158 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.064 11.898 7.535 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.691 10.782 7.343 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.192 10.221 8.118 1.00 0.00 H new ATOM 1032 N LEU A 65 10.773 9.618 4.775 1.00 0.00 N ATOM 1033 CA LEU A 65 9.320 9.599 4.655 1.00 0.00 C ATOM 1034 C LEU A 65 8.795 8.167 4.616 1.00 0.00 C ATOM 1035 O LEU A 65 7.771 7.854 5.222 1.00 0.00 O ATOM 1036 CB LEU A 65 8.882 10.349 3.395 1.00 0.00 C ATOM 1037 CG LEU A 65 8.863 11.874 3.495 1.00 0.00 C ATOM 1038 CD1 LEU A 65 8.697 12.497 2.117 1.00 0.00 C ATOM 1039 CD2 LEU A 65 7.752 12.334 4.427 1.00 0.00 C ATOM 0 H LEU A 65 11.241 10.255 4.130 1.00 0.00 H new ATOM 0 HA LEU A 65 8.902 10.096 5.530 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.547 10.067 2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.882 10.010 3.124 1.00 0.00 H new ATOM 0 HG LEU A 65 9.816 12.204 3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.686 13.583 2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.527 12.195 1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.759 12.160 1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.754 13.422 4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.791 11.993 4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.915 11.917 5.421 1.00 0.00 H new ATOM 1051 N ALA A 66 9.506 7.301 3.901 1.00 0.00 N ATOM 1052 CA ALA A 66 9.114 5.902 3.787 1.00 0.00 C ATOM 1053 C ALA A 66 9.201 5.196 5.135 1.00 0.00 C ATOM 1054 O ALA A 66 8.254 4.535 5.561 1.00 0.00 O ATOM 1055 CB ALA A 66 9.985 5.192 2.760 1.00 0.00 C ATOM 0 H ALA A 66 10.356 7.544 3.392 1.00 0.00 H new ATOM 0 HA ALA A 66 8.077 5.867 3.454 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.681 4.148 2.685 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.869 5.674 1.789 1.00 0.00 H new ATOM 0 HB3 ALA A 66 11.029 5.245 3.069 1.00 0.00 H new ATOM 1061 N GLU A 67 10.342 5.341 5.802 1.00 0.00 N ATOM 1062 CA GLU A 67 10.551 4.715 7.102 1.00 0.00 C ATOM 1063 C GLU A 67 9.500 5.182 8.106 1.00 0.00 C ATOM 1064 O GLU A 67 9.235 4.508 9.101 1.00 0.00 O ATOM 1065 CB GLU A 67 11.952 5.034 7.628 1.00 0.00 C ATOM 1066 CG GLU A 67 13.019 4.069 7.140 1.00 0.00 C ATOM 1067 CD GLU A 67 14.311 4.182 7.926 1.00 0.00 C ATOM 1068 OE1 GLU A 67 14.835 5.310 8.047 1.00 0.00 O ATOM 1069 OE2 GLU A 67 14.798 3.144 8.420 1.00 0.00 O ATOM 0 H GLU A 67 11.135 5.886 5.464 1.00 0.00 H new ATOM 0 HA GLU A 67 10.455 3.636 6.977 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.223 6.046 7.325 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.933 5.021 8.718 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.642 3.049 7.213 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.221 4.260 6.086 1.00 0.00 H new ATOM 1076 N ALA A 68 8.907 6.340 7.837 1.00 0.00 N ATOM 1077 CA ALA A 68 7.885 6.897 8.715 1.00 0.00 C ATOM 1078 C ALA A 68 6.572 6.135 8.581 1.00 0.00 C ATOM 1079 O ALA A 68 5.734 6.158 9.483 1.00 0.00 O ATOM 1080 CB ALA A 68 7.675 8.373 8.409 1.00 0.00 C ATOM 0 H ALA A 68 9.117 6.911 7.018 1.00 0.00 H new ATOM 0 HA ALA A 68 8.230 6.796 9.744 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.909 8.777 9.072 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.609 8.913 8.563 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.356 8.488 7.373 1.00 0.00 H new ATOM 1086 N LEU A 69 6.397 5.460 7.450 1.00 0.00 N ATOM 1087 CA LEU A 69 5.184 4.690 7.198 1.00 0.00 C ATOM 1088 C LEU A 69 5.487 3.196 7.149 1.00 0.00 C ATOM 1089 O LEU A 69 4.745 2.421 6.546 1.00 0.00 O ATOM 1090 CB LEU A 69 4.539 5.134 5.884 1.00 0.00 C ATOM 1091 CG LEU A 69 4.053 6.583 5.830 1.00 0.00 C ATOM 1092 CD1 LEU A 69 3.708 6.978 4.403 1.00 0.00 C ATOM 1093 CD2 LEU A 69 2.852 6.777 6.744 1.00 0.00 C ATOM 0 H LEU A 69 7.080 5.430 6.693 1.00 0.00 H new ATOM 0 HA LEU A 69 4.490 4.874 8.018 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.259 4.983 5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.691 4.480 5.679 1.00 0.00 H new ATOM 0 HG LEU A 69 4.858 7.229 6.179 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.364 8.012 4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.593 6.879 3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.919 6.327 4.026 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.520 7.814 6.693 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.042 6.120 6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.132 6.536 7.769 1.00 0.00 H new ATOM 1105 N VAL A 70 6.582 2.799 7.790 1.00 0.00 N ATOM 1106 CA VAL A 70 6.982 1.397 7.822 1.00 0.00 C ATOM 1107 C VAL A 70 6.566 0.737 9.133 1.00 0.00 C ATOM 1108 O VAL A 70 6.914 1.208 10.215 1.00 0.00 O ATOM 1109 CB VAL A 70 8.504 1.243 7.643 1.00 0.00 C ATOM 1110 CG1 VAL A 70 8.961 -0.130 8.111 1.00 0.00 C ATOM 1111 CG2 VAL A 70 8.896 1.479 6.192 1.00 0.00 C ATOM 0 H VAL A 70 7.207 3.428 8.294 1.00 0.00 H new ATOM 0 HA VAL A 70 6.475 0.904 6.993 1.00 0.00 H new ATOM 0 HB VAL A 70 9.002 1.993 8.257 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.039 -0.220 7.977 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.715 -0.256 9.165 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.457 -0.900 7.527 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.975 1.366 6.084 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.390 0.753 5.556 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.605 2.487 5.896 1.00 0.00 H new ATOM 1121 N GLY A 71 5.819 -0.357 9.027 1.00 0.00 N ATOM 1122 CA GLY A 71 5.368 -1.065 10.211 1.00 0.00 C ATOM 1123 C GLY A 71 3.862 -1.020 10.375 1.00 0.00 C ATOM 1124 O GLY A 71 3.267 -1.920 10.970 1.00 0.00 O ATOM 0 H GLY A 71 5.518 -0.766 8.142 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.693 -2.104 10.155 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.839 -0.630 11.092 1.00 0.00 H new ATOM 1128 N LEU A 72 3.242 0.030 9.848 1.00 0.00 N ATOM 1129 CA LEU A 72 1.795 0.191 9.940 1.00 0.00 C ATOM 1130 C LEU A 72 1.082 -0.733 8.959 1.00 0.00 C ATOM 1131 O LEU A 72 1.710 -1.333 8.087 1.00 0.00 O ATOM 1132 CB LEU A 72 1.405 1.644 9.666 1.00 0.00 C ATOM 1133 CG LEU A 72 1.951 2.682 10.647 1.00 0.00 C ATOM 1134 CD1 LEU A 72 1.731 4.089 10.113 1.00 0.00 C ATOM 1135 CD2 LEU A 72 1.299 2.521 12.013 1.00 0.00 C ATOM 0 H LEU A 72 3.719 0.783 9.352 1.00 0.00 H new ATOM 0 HA LEU A 72 1.488 -0.076 10.951 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.744 1.907 8.664 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.317 1.713 9.663 1.00 0.00 H new ATOM 0 HG LEU A 72 3.023 2.520 10.757 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.126 4.814 10.825 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.245 4.200 9.158 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.664 4.262 9.973 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.700 3.268 12.698 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.221 2.655 11.920 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.508 1.524 12.401 1.00 0.00 H new ATOM 1147 N ARG A 73 -0.235 -0.841 9.106 1.00 0.00 N ATOM 1148 CA ARG A 73 -1.034 -1.691 8.232 1.00 0.00 C ATOM 1149 C ARG A 73 -1.832 -0.852 7.238 1.00 0.00 C ATOM 1150 O ARG A 73 -2.325 0.225 7.574 1.00 0.00 O ATOM 1151 CB ARG A 73 -1.983 -2.560 9.059 1.00 0.00 C ATOM 1152 CG ARG A 73 -1.271 -3.594 9.916 1.00 0.00 C ATOM 1153 CD ARG A 73 -2.142 -4.051 11.076 1.00 0.00 C ATOM 1154 NE ARG A 73 -1.657 -5.294 11.669 1.00 0.00 N ATOM 1155 CZ ARG A 73 -2.357 -6.018 12.535 1.00 0.00 C ATOM 1156 NH1 ARG A 73 -3.567 -5.624 12.908 1.00 0.00 N ATOM 1157 NH2 ARG A 73 -1.847 -7.139 13.030 1.00 0.00 N ATOM 0 H ARG A 73 -0.771 -0.350 9.822 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.355 -2.336 7.674 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.582 -1.917 9.703 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.673 -3.070 8.387 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.001 -4.453 9.302 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.342 -3.172 10.301 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.168 -3.272 11.838 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.165 -4.191 10.728 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.729 -5.625 11.404 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.962 -4.763 12.530 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.103 -6.182 13.573 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.917 -7.445 12.745 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.385 -7.694 13.695 1.00 0.00 H new ATOM 1171 N VAL A 74 -1.953 -1.352 6.013 1.00 0.00 N ATOM 1172 CA VAL A 74 -2.691 -0.649 4.970 1.00 0.00 C ATOM 1173 C VAL A 74 -4.148 -1.097 4.930 1.00 0.00 C ATOM 1174 O VAL A 74 -4.448 -2.282 5.078 1.00 0.00 O ATOM 1175 CB VAL A 74 -2.058 -0.876 3.584 1.00 0.00 C ATOM 1176 CG1 VAL A 74 -2.813 -0.097 2.518 1.00 0.00 C ATOM 1177 CG2 VAL A 74 -0.588 -0.486 3.601 1.00 0.00 C ATOM 0 H VAL A 74 -1.550 -2.241 5.718 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.647 0.413 5.212 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.127 -1.936 3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.351 -0.270 1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.851 -0.429 2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.779 0.967 2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.156 -0.653 2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.494 0.567 3.865 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.059 -1.093 4.336 1.00 0.00 H new ATOM 1187 N TYR A 75 -5.049 -0.142 4.730 1.00 0.00 N ATOM 1188 CA TYR A 75 -6.476 -0.437 4.673 1.00 0.00 C ATOM 1189 C TYR A 75 -7.064 -0.026 3.327 1.00 0.00 C ATOM 1190 O TYR A 75 -6.681 0.995 2.755 1.00 0.00 O ATOM 1191 CB TYR A 75 -7.213 0.281 5.805 1.00 0.00 C ATOM 1192 CG TYR A 75 -6.978 -0.334 7.166 1.00 0.00 C ATOM 1193 CD1 TYR A 75 -5.764 -0.175 7.822 1.00 0.00 C ATOM 1194 CD2 TYR A 75 -7.972 -1.072 7.796 1.00 0.00 C ATOM 1195 CE1 TYR A 75 -5.546 -0.736 9.065 1.00 0.00 C ATOM 1196 CE2 TYR A 75 -7.763 -1.635 9.040 1.00 0.00 C ATOM 1197 CZ TYR A 75 -6.548 -1.465 9.671 1.00 0.00 C ATOM 1198 OH TYR A 75 -6.335 -2.024 10.910 1.00 0.00 O ATOM 0 H TYR A 75 -4.817 0.843 4.605 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.603 -1.513 4.791 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -6.898 1.324 5.828 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.282 0.275 5.593 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.977 0.397 7.352 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -8.924 -1.208 7.305 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.595 -0.605 9.560 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -8.547 -2.205 9.516 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.233 -1.313 11.577 1.00 0.00 H new ATOM 1208 N ALA A 76 -7.998 -0.828 2.826 1.00 0.00 N ATOM 1209 CA ALA A 76 -8.641 -0.548 1.549 1.00 0.00 C ATOM 1210 C ALA A 76 -10.122 -0.236 1.737 1.00 0.00 C ATOM 1211 O ALA A 76 -10.676 -0.443 2.816 1.00 0.00 O ATOM 1212 CB ALA A 76 -8.464 -1.723 0.599 1.00 0.00 C ATOM 0 H ALA A 76 -8.326 -1.677 3.286 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.163 0.330 1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.950 -1.499 -0.351 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.401 -1.898 0.431 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.914 -2.615 1.035 1.00 0.00 H new ATOM 1218 N GLU A 77 -10.757 0.262 0.680 1.00 0.00 N ATOM 1219 CA GLU A 77 -12.173 0.603 0.732 1.00 0.00 C ATOM 1220 C GLU A 77 -12.970 -0.232 -0.267 1.00 0.00 C ATOM 1221 O GLU A 77 -12.746 -0.157 -1.475 1.00 0.00 O ATOM 1222 CB GLU A 77 -12.373 2.092 0.442 1.00 0.00 C ATOM 1223 CG GLU A 77 -13.599 2.684 1.117 1.00 0.00 C ATOM 1224 CD GLU A 77 -13.843 4.127 0.721 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -13.040 4.996 1.122 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -14.836 4.388 0.011 1.00 0.00 O ATOM 0 H GLU A 77 -10.313 0.438 -0.221 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.537 0.384 1.736 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.489 2.639 0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.457 2.236 -0.635 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.474 2.088 0.860 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.479 2.623 2.199 1.00 0.00 H new ATOM 1233 N VAL A 78 -13.902 -1.029 0.248 1.00 0.00 N ATOM 1234 CA VAL A 78 -14.733 -1.878 -0.597 1.00 0.00 C ATOM 1235 C VAL A 78 -15.434 -1.062 -1.677 1.00 0.00 C ATOM 1236 O VAL A 78 -15.701 -1.560 -2.770 1.00 0.00 O ATOM 1237 CB VAL A 78 -15.792 -2.630 0.231 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -16.552 -3.616 -0.642 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -15.142 -3.339 1.409 1.00 0.00 C ATOM 0 H VAL A 78 -14.100 -1.104 1.246 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.068 -2.603 -1.067 1.00 0.00 H new ATOM 0 HB VAL A 78 -16.505 -1.904 0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -17.296 -4.138 -0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -17.051 -3.079 -1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -15.855 -4.340 -1.065 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -15.905 -3.865 1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.406 -4.055 1.042 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.649 -2.606 2.047 1.00 0.00 H new ATOM 1249 N ALA A 79 -15.727 0.196 -1.363 1.00 0.00 N ATOM 1250 CA ALA A 79 -16.395 1.083 -2.308 1.00 0.00 C ATOM 1251 C ALA A 79 -15.722 1.035 -3.675 1.00 0.00 C ATOM 1252 O ALA A 79 -16.356 1.292 -4.699 1.00 0.00 O ATOM 1253 CB ALA A 79 -16.409 2.508 -1.774 1.00 0.00 C ATOM 0 H ALA A 79 -15.512 0.624 -0.462 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.423 0.741 -2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -16.911 3.160 -2.489 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -16.941 2.535 -0.823 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -15.385 2.851 -1.626 1.00 0.00 H new ATOM 1259 N ASP A 80 -14.435 0.705 -3.685 1.00 0.00 N ATOM 1260 CA ASP A 80 -13.677 0.622 -4.928 1.00 0.00 C ATOM 1261 C ASP A 80 -13.571 -0.822 -5.406 1.00 0.00 C ATOM 1262 O ASP A 80 -13.669 -1.101 -6.601 1.00 0.00 O ATOM 1263 CB ASP A 80 -12.279 1.213 -4.737 1.00 0.00 C ATOM 1264 CG ASP A 80 -11.664 1.679 -6.042 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -12.428 2.027 -6.967 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -10.419 1.698 -6.138 1.00 0.00 O ATOM 0 H ASP A 80 -13.895 0.491 -2.847 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.207 1.198 -5.687 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.334 2.053 -4.044 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.631 0.465 -4.280 1.00 0.00 H new ATOM 1271 N LEU A 81 -13.369 -1.738 -4.464 1.00 0.00 N ATOM 1272 CA LEU A 81 -13.249 -3.155 -4.789 1.00 0.00 C ATOM 1273 C LEU A 81 -14.396 -3.607 -5.687 1.00 0.00 C ATOM 1274 O LEU A 81 -15.520 -3.112 -5.598 1.00 0.00 O ATOM 1275 CB LEU A 81 -13.228 -3.992 -3.508 1.00 0.00 C ATOM 1276 CG LEU A 81 -11.955 -3.900 -2.667 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -12.111 -4.684 -1.374 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -10.756 -4.404 -3.457 1.00 0.00 C ATOM 0 H LEU A 81 -13.285 -1.525 -3.470 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.312 -3.301 -5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -14.072 -3.691 -2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.387 -5.036 -3.777 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.785 -2.853 -2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.195 -4.607 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.944 -4.277 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.307 -5.731 -1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.859 -4.331 -2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.918 -5.444 -3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.631 -3.799 -4.355 1.00 0.00 H new