USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 658 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 51 THR OG1 : rot -73:sc= 2.35 USER MOD Set 1.2: A 55 THR OG1 : rot 34:sc= 1.21 USER MOD Single : A 12 SER OG : rot -68:sc= 0.349 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot -13:sc= -0.96 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 6:sc= 0.893 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 CYS SG : rot -110:sc= -1.56 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 68 THR OG1 : rot -123:sc= 0.293 USER MOD Single : A 69 TYR OH : rot 50:sc= -0.194 USER MOD Single : A 73 TYR OH : rot -158:sc= 0.916 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 1:sc= 1.23 USER MOD Single : A 84 TYR OH : rot 15:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 53:sc= -0.553 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N ASP A 10 -9.069 -18.727 -6.078 1.00 0.00 N ATOM 88 CA ASP A 10 -9.554 -17.640 -6.922 1.00 0.00 C ATOM 89 C ASP A 10 -9.272 -16.286 -6.280 1.00 0.00 C ATOM 90 O ASP A 10 -8.914 -16.207 -5.105 1.00 0.00 O ATOM 91 CB ASP A 10 -11.054 -17.795 -7.179 1.00 0.00 C ATOM 92 CG ASP A 10 -11.479 -17.201 -8.507 1.00 0.00 C ATOM 93 OD1 ASP A 10 -11.302 -15.979 -8.694 1.00 0.00 O ATOM 94 OD2 ASP A 10 -11.988 -17.959 -9.360 1.00 0.00 O ATOM 0 HA ASP A 10 -9.024 -17.688 -7.873 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.316 -18.853 -7.157 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.609 -17.313 -6.374 1.00 0.00 H new ATOM 99 N ALA A 11 -9.436 -15.222 -7.058 1.00 0.00 N ATOM 100 CA ALA A 11 -9.201 -13.870 -6.565 1.00 0.00 C ATOM 101 C ALA A 11 -10.502 -13.081 -6.484 1.00 0.00 C ATOM 102 O ALA A 11 -10.709 -12.298 -5.556 1.00 0.00 O ATOM 103 CB ALA A 11 -8.199 -13.150 -7.455 1.00 0.00 C ATOM 0 H ALA A 11 -9.731 -15.270 -8.033 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.789 -13.944 -5.559 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.033 -12.142 -7.075 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.256 -13.697 -7.457 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.589 -13.095 -8.471 1.00 0.00 H new ATOM 109 N SER A 12 -11.378 -13.290 -7.462 1.00 0.00 N ATOM 110 CA SER A 12 -12.659 -12.594 -7.504 1.00 0.00 C ATOM 111 C SER A 12 -13.447 -12.828 -6.218 1.00 0.00 C ATOM 112 O SER A 12 -14.079 -11.913 -5.689 1.00 0.00 O ATOM 113 CB SER A 12 -13.478 -13.061 -8.708 1.00 0.00 C ATOM 114 OG SER A 12 -13.898 -14.406 -8.550 1.00 0.00 O ATOM 0 H SER A 12 -11.224 -13.936 -8.236 1.00 0.00 H new ATOM 0 HA SER A 12 -12.461 -11.526 -7.600 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.349 -12.417 -8.831 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.882 -12.967 -9.616 1.00 0.00 H new ATOM 0 HG SER A 12 -13.118 -14.998 -8.585 1.00 0.00 H new ATOM 120 N LYS A 13 -13.404 -14.059 -5.721 1.00 0.00 N ATOM 121 CA LYS A 13 -14.111 -14.416 -4.497 1.00 0.00 C ATOM 122 C LYS A 13 -13.463 -13.758 -3.283 1.00 0.00 C ATOM 123 O LYS A 13 -14.136 -13.453 -2.297 1.00 0.00 O ATOM 124 CB LYS A 13 -14.129 -15.936 -4.318 1.00 0.00 C ATOM 125 CG LYS A 13 -14.715 -16.681 -5.505 1.00 0.00 C ATOM 126 CD LYS A 13 -16.223 -16.518 -5.576 1.00 0.00 C ATOM 127 CE LYS A 13 -16.810 -17.269 -6.762 1.00 0.00 C ATOM 128 NZ LYS A 13 -18.297 -17.315 -6.709 1.00 0.00 N ATOM 0 H LYS A 13 -12.886 -14.827 -6.148 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.136 -14.054 -4.581 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.111 -16.285 -4.147 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.704 -16.182 -3.425 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -14.264 -16.311 -6.426 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -14.466 -17.739 -5.431 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -16.673 -16.884 -4.653 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -16.472 -15.460 -5.655 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.494 -16.789 -7.688 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -16.416 -18.285 -6.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -18.658 -17.835 -7.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -18.599 -17.796 -5.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -18.675 -16.346 -6.718 1.00 0.00 H new ATOM 142 N CYS A 14 -12.154 -13.543 -3.361 1.00 0.00 N ATOM 143 CA CYS A 14 -11.415 -12.920 -2.268 1.00 0.00 C ATOM 144 C CYS A 14 -11.997 -11.551 -1.929 1.00 0.00 C ATOM 145 O CYS A 14 -12.629 -10.907 -2.768 1.00 0.00 O ATOM 146 CB CYS A 14 -9.938 -12.782 -2.637 1.00 0.00 C ATOM 147 SG CYS A 14 -8.823 -12.742 -1.215 1.00 0.00 S ATOM 0 H CYS A 14 -11.583 -13.791 -4.169 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.504 -13.560 -1.390 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.657 -13.614 -3.283 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.803 -11.869 -3.217 1.00 0.00 H new ATOM 0 HG CYS A 14 -9.513 -12.569 -0.127 1.00 0.00 H new ATOM 153 N LEU A 15 -11.781 -11.112 -0.694 1.00 0.00 N ATOM 154 CA LEU A 15 -12.285 -9.820 -0.242 1.00 0.00 C ATOM 155 C LEU A 15 -11.145 -8.930 0.243 1.00 0.00 C ATOM 156 O LEU A 15 -10.281 -9.370 1.002 1.00 0.00 O ATOM 157 CB LEU A 15 -13.309 -10.013 0.878 1.00 0.00 C ATOM 158 CG LEU A 15 -14.763 -10.183 0.436 1.00 0.00 C ATOM 159 CD1 LEU A 15 -15.275 -8.909 -0.218 1.00 0.00 C ATOM 160 CD2 LEU A 15 -14.896 -11.364 -0.515 1.00 0.00 C ATOM 0 H LEU A 15 -11.260 -11.632 0.012 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.769 -9.331 -1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -13.022 -10.890 1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -13.252 -9.155 1.547 1.00 0.00 H new ATOM 0 HG LEU A 15 -15.370 -10.382 1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -16.311 -9.049 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -15.216 -8.086 0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -14.665 -8.678 -1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -15.937 -11.470 -0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -14.276 -11.194 -1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -14.570 -12.275 -0.012 1.00 0.00 H new ATOM 172 N ALA A 16 -11.150 -7.677 -0.197 1.00 0.00 N ATOM 173 CA ALA A 16 -10.121 -6.724 0.197 1.00 0.00 C ATOM 174 C ALA A 16 -10.720 -5.549 0.961 1.00 0.00 C ATOM 175 O ALA A 16 -11.436 -4.725 0.392 1.00 0.00 O ATOM 176 CB ALA A 16 -9.365 -6.228 -1.028 1.00 0.00 C ATOM 0 H ALA A 16 -11.856 -7.298 -0.827 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.424 -7.236 0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.599 -5.517 -0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.894 -7.072 -1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.060 -5.740 -1.711 1.00 0.00 H new ATOM 182 N THR A 17 -10.426 -5.479 2.256 1.00 0.00 N ATOM 183 CA THR A 17 -10.939 -4.406 3.100 1.00 0.00 C ATOM 184 C THR A 17 -9.811 -3.712 3.852 1.00 0.00 C ATOM 185 O THR A 17 -8.861 -4.355 4.300 1.00 0.00 O ATOM 186 CB THR A 17 -11.969 -4.935 4.116 1.00 0.00 C ATOM 187 OG1 THR A 17 -11.378 -5.956 4.927 1.00 0.00 O ATOM 188 CG2 THR A 17 -13.194 -5.491 3.405 1.00 0.00 C ATOM 0 H THR A 17 -9.835 -6.153 2.743 1.00 0.00 H new ATOM 0 HA THR A 17 -11.426 -3.689 2.439 1.00 0.00 H new ATOM 0 HB THR A 17 -12.281 -4.104 4.749 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.039 -6.286 5.571 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.907 -5.859 4.143 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.659 -4.704 2.812 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.895 -6.310 2.751 1.00 0.00 H new ATOM 196 N GLY A 18 -9.919 -2.394 3.988 1.00 0.00 N ATOM 197 CA GLY A 18 -8.900 -1.633 4.688 1.00 0.00 C ATOM 198 C GLY A 18 -8.923 -0.162 4.324 1.00 0.00 C ATOM 199 O GLY A 18 -9.332 0.222 3.228 1.00 0.00 O ATOM 0 H GLY A 18 -10.694 -1.839 3.626 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.045 -1.740 5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.919 -2.046 4.456 1.00 0.00 H new ATOM 203 N PRO A 19 -8.475 0.689 5.259 1.00 0.00 N ATOM 204 CA PRO A 19 -8.436 2.140 5.055 1.00 0.00 C ATOM 205 C PRO A 19 -7.382 2.554 4.033 1.00 0.00 C ATOM 206 O PRO A 19 -7.489 3.608 3.409 1.00 0.00 O ATOM 207 CB PRO A 19 -8.081 2.684 6.440 1.00 0.00 C ATOM 208 CG PRO A 19 -7.356 1.569 7.111 1.00 0.00 C ATOM 209 CD PRO A 19 -7.972 0.301 6.587 1.00 0.00 C ATOM 0 HA PRO A 19 -9.378 2.521 4.661 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.457 3.575 6.367 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.975 2.966 6.996 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.290 1.606 6.888 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.457 1.634 8.194 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.240 -0.504 6.520 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.775 -0.052 7.233 1.00 0.00 H new ATOM 217 N GLY A 20 -6.363 1.716 3.869 1.00 0.00 N ATOM 218 CA GLY A 20 -5.304 2.012 2.922 1.00 0.00 C ATOM 219 C GLY A 20 -5.759 1.876 1.483 1.00 0.00 C ATOM 220 O GLY A 20 -5.266 2.579 0.600 1.00 0.00 O ATOM 0 H GLY A 20 -6.252 0.837 4.375 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.942 3.026 3.091 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.464 1.340 3.099 1.00 0.00 H new ATOM 224 N ILE A 21 -6.700 0.969 1.244 1.00 0.00 N ATOM 225 CA ILE A 21 -7.220 0.743 -0.099 1.00 0.00 C ATOM 226 C ILE A 21 -8.366 1.699 -0.413 1.00 0.00 C ATOM 227 O ILE A 21 -8.985 1.615 -1.473 1.00 0.00 O ATOM 228 CB ILE A 21 -7.712 -0.705 -0.276 1.00 0.00 C ATOM 229 CG1 ILE A 21 -8.786 -1.033 0.763 1.00 0.00 C ATOM 230 CG2 ILE A 21 -6.547 -1.678 -0.166 1.00 0.00 C ATOM 231 CD1 ILE A 21 -9.623 -2.241 0.406 1.00 0.00 C ATOM 0 H ILE A 21 -7.118 0.379 1.963 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.397 0.926 -0.790 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.151 -0.804 -1.269 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.307 -1.205 1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.441 -0.170 0.882 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -6.911 -2.697 -0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.813 -1.456 -0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.081 -1.579 0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.363 -2.414 1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.130 -2.065 -0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.979 -3.116 0.316 1.00 0.00 H new ATOM 243 N ALA A 22 -8.642 2.609 0.516 1.00 0.00 N ATOM 244 CA ALA A 22 -9.710 3.584 0.337 1.00 0.00 C ATOM 245 C ALA A 22 -9.518 4.379 -0.949 1.00 0.00 C ATOM 246 O ALA A 22 -8.391 4.687 -1.337 1.00 0.00 O ATOM 247 CB ALA A 22 -9.776 4.520 1.535 1.00 0.00 C ATOM 0 H ALA A 22 -8.140 2.691 1.400 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.653 3.043 0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.578 5.243 1.388 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.970 3.942 2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.827 5.047 1.638 1.00 0.00 H new ATOM 253 N SER A 23 -10.625 4.709 -1.605 1.00 0.00 N ATOM 254 CA SER A 23 -10.577 5.466 -2.852 1.00 0.00 C ATOM 255 C SER A 23 -9.803 6.766 -2.669 1.00 0.00 C ATOM 256 O SER A 23 -9.305 7.349 -3.632 1.00 0.00 O ATOM 257 CB SER A 23 -11.994 5.767 -3.344 1.00 0.00 C ATOM 258 OG SER A 23 -12.720 6.515 -2.384 1.00 0.00 O ATOM 0 H SER A 23 -11.566 4.465 -1.295 1.00 0.00 H new ATOM 0 HA SER A 23 -10.062 4.860 -3.597 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.947 6.321 -4.281 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.516 4.833 -3.552 1.00 0.00 H new ATOM 0 HG SER A 23 -13.621 6.696 -2.723 1.00 0.00 H new ATOM 264 N THR A 24 -9.705 7.218 -1.422 1.00 0.00 N ATOM 265 CA THR A 24 -8.993 8.451 -1.110 1.00 0.00 C ATOM 266 C THR A 24 -8.346 8.379 0.269 1.00 0.00 C ATOM 267 O THR A 24 -8.980 7.968 1.242 1.00 0.00 O ATOM 268 CB THR A 24 -9.931 9.671 -1.161 1.00 0.00 C ATOM 269 OG1 THR A 24 -11.019 9.492 -0.247 1.00 0.00 O ATOM 270 CG2 THR A 24 -10.474 9.879 -2.568 1.00 0.00 C ATOM 0 H THR A 24 -10.110 6.748 -0.612 1.00 0.00 H new ATOM 0 HA THR A 24 -8.217 8.567 -1.867 1.00 0.00 H new ATOM 0 HB THR A 24 -9.358 10.553 -0.875 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.610 10.273 -0.285 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.134 10.746 -2.579 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.646 10.045 -3.257 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.032 8.995 -2.877 1.00 0.00 H new ATOM 278 N VAL A 25 -7.082 8.782 0.347 1.00 0.00 N ATOM 279 CA VAL A 25 -6.350 8.764 1.608 1.00 0.00 C ATOM 280 C VAL A 25 -5.596 10.071 1.824 1.00 0.00 C ATOM 281 O VAL A 25 -5.627 10.966 0.979 1.00 0.00 O ATOM 282 CB VAL A 25 -5.353 7.593 1.662 1.00 0.00 C ATOM 283 CG1 VAL A 25 -6.084 6.262 1.572 1.00 0.00 C ATOM 284 CG2 VAL A 25 -4.322 7.720 0.550 1.00 0.00 C ATOM 0 H VAL A 25 -6.543 9.125 -0.448 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.088 8.639 2.400 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.831 7.628 2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.362 5.447 1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.779 6.172 2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.635 6.213 0.633 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.625 6.884 0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.826 7.711 -0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.775 8.656 0.666 1.00 0.00 H new ATOM 294 N LYS A 26 -4.917 10.175 2.961 1.00 0.00 N ATOM 295 CA LYS A 26 -4.152 11.372 3.289 1.00 0.00 C ATOM 296 C LYS A 26 -2.653 11.090 3.243 1.00 0.00 C ATOM 297 O LYS A 26 -2.225 9.937 3.327 1.00 0.00 O ATOM 298 CB LYS A 26 -4.542 11.888 4.677 1.00 0.00 C ATOM 299 CG LYS A 26 -5.731 12.833 4.661 1.00 0.00 C ATOM 300 CD LYS A 26 -5.884 13.558 5.988 1.00 0.00 C ATOM 301 CE LYS A 26 -4.788 14.593 6.187 1.00 0.00 C ATOM 302 NZ LYS A 26 -5.194 15.653 7.152 1.00 0.00 N ATOM 0 H LYS A 26 -4.881 9.444 3.672 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.384 12.135 2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -4.772 11.039 5.320 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.687 12.400 5.119 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.608 13.561 3.859 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.640 12.272 4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.858 14.046 6.027 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.856 12.836 6.804 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.885 14.101 6.547 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.541 15.050 5.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.420 16.339 7.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.041 16.140 6.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.405 15.221 8.074 1.00 0.00 H new ATOM 316 N THR A 27 -1.860 12.147 3.112 1.00 0.00 N ATOM 317 CA THR A 27 -0.410 12.013 3.055 1.00 0.00 C ATOM 318 C THR A 27 0.217 12.233 4.427 1.00 0.00 C ATOM 319 O THR A 27 -0.324 12.961 5.258 1.00 0.00 O ATOM 320 CB THR A 27 0.208 13.009 2.055 1.00 0.00 C ATOM 321 OG1 THR A 27 -0.230 14.338 2.354 1.00 0.00 O ATOM 322 CG2 THR A 27 -0.175 12.651 0.627 1.00 0.00 C ATOM 0 H THR A 27 -2.197 13.107 3.043 1.00 0.00 H new ATOM 0 HA THR A 27 -0.200 10.997 2.721 1.00 0.00 H new ATOM 0 HB THR A 27 1.293 12.956 2.146 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.168 14.965 1.715 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.273 13.368 -0.061 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.187 11.650 0.393 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.260 12.678 0.524 1.00 0.00 H new ATOM 330 N GLY A 28 1.362 11.598 4.658 1.00 0.00 N ATOM 331 CA GLY A 28 2.044 11.739 5.932 1.00 0.00 C ATOM 332 C GLY A 28 1.627 10.679 6.932 1.00 0.00 C ATOM 333 O GLY A 28 2.387 10.340 7.839 1.00 0.00 O ATOM 0 H GLY A 28 1.829 10.989 3.987 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.121 11.681 5.773 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.836 12.726 6.345 1.00 0.00 H new ATOM 337 N GLU A 29 0.417 10.155 6.768 1.00 0.00 N ATOM 338 CA GLU A 29 -0.100 9.129 7.666 1.00 0.00 C ATOM 339 C GLU A 29 0.168 7.733 7.109 1.00 0.00 C ATOM 340 O GLU A 29 0.395 7.566 5.911 1.00 0.00 O ATOM 341 CB GLU A 29 -1.601 9.322 7.889 1.00 0.00 C ATOM 342 CG GLU A 29 -2.446 8.956 6.681 1.00 0.00 C ATOM 343 CD GLU A 29 -3.837 8.486 7.062 1.00 0.00 C ATOM 344 OE1 GLU A 29 -3.981 7.874 8.141 1.00 0.00 O ATOM 345 OE2 GLU A 29 -4.781 8.732 6.282 1.00 0.00 O ATOM 0 H GLU A 29 -0.224 10.424 6.022 1.00 0.00 H new ATOM 0 HA GLU A 29 0.416 9.226 8.621 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.915 8.716 8.739 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.790 10.363 8.153 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.527 9.821 6.023 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.944 8.171 6.115 1.00 0.00 H new ATOM 352 N GLU A 30 0.140 6.737 7.988 1.00 0.00 N ATOM 353 CA GLU A 30 0.381 5.357 7.584 1.00 0.00 C ATOM 354 C GLU A 30 -0.910 4.543 7.629 1.00 0.00 C ATOM 355 O GLU A 30 -1.613 4.528 8.639 1.00 0.00 O ATOM 356 CB GLU A 30 1.433 4.713 8.490 1.00 0.00 C ATOM 357 CG GLU A 30 1.744 3.269 8.132 1.00 0.00 C ATOM 358 CD GLU A 30 2.884 2.696 8.951 1.00 0.00 C ATOM 359 OE1 GLU A 30 3.008 3.071 10.138 1.00 0.00 O ATOM 360 OE2 GLU A 30 3.652 1.876 8.409 1.00 0.00 O ATOM 0 H GLU A 30 -0.047 6.859 8.983 1.00 0.00 H new ATOM 0 HA GLU A 30 0.750 5.365 6.558 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.352 5.297 8.438 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.086 4.756 9.522 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.852 2.661 8.283 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.996 3.208 7.073 1.00 0.00 H new ATOM 367 N VAL A 31 -1.215 3.868 6.525 1.00 0.00 N ATOM 368 CA VAL A 31 -2.420 3.053 6.437 1.00 0.00 C ATOM 369 C VAL A 31 -2.113 1.587 6.718 1.00 0.00 C ATOM 370 O VAL A 31 -0.953 1.195 6.829 1.00 0.00 O ATOM 371 CB VAL A 31 -3.077 3.171 5.049 1.00 0.00 C ATOM 372 CG1 VAL A 31 -3.508 4.605 4.781 1.00 0.00 C ATOM 373 CG2 VAL A 31 -2.128 2.680 3.967 1.00 0.00 C ATOM 0 H VAL A 31 -0.644 3.870 5.680 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.112 3.428 7.191 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.967 2.541 5.033 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.970 4.668 3.796 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.226 4.917 5.539 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.637 5.259 4.816 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.609 2.771 2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.219 3.281 3.980 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.875 1.636 4.151 1.00 0.00 H new ATOM 383 N GLY A 32 -3.164 0.779 6.834 1.00 0.00 N ATOM 384 CA GLY A 32 -2.985 -0.636 7.102 1.00 0.00 C ATOM 385 C GLY A 32 -4.214 -1.452 6.753 1.00 0.00 C ATOM 386 O GLY A 32 -5.184 -1.483 7.512 1.00 0.00 O ATOM 0 H GLY A 32 -4.135 1.079 6.747 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.133 -1.006 6.531 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.747 -0.776 8.157 1.00 0.00 H new ATOM 390 N PHE A 33 -4.176 -2.113 5.601 1.00 0.00 N ATOM 391 CA PHE A 33 -5.297 -2.931 5.152 1.00 0.00 C ATOM 392 C PHE A 33 -4.948 -4.415 5.215 1.00 0.00 C ATOM 393 O PHE A 33 -3.802 -4.784 5.474 1.00 0.00 O ATOM 394 CB PHE A 33 -5.693 -2.550 3.724 1.00 0.00 C ATOM 395 CG PHE A 33 -4.581 -2.719 2.728 1.00 0.00 C ATOM 396 CD1 PHE A 33 -3.614 -1.739 2.576 1.00 0.00 C ATOM 397 CD2 PHE A 33 -4.505 -3.858 1.942 1.00 0.00 C ATOM 398 CE1 PHE A 33 -2.589 -1.891 1.661 1.00 0.00 C ATOM 399 CE2 PHE A 33 -3.482 -4.016 1.026 1.00 0.00 C ATOM 400 CZ PHE A 33 -2.524 -3.032 0.884 1.00 0.00 C ATOM 0 H PHE A 33 -3.382 -2.098 4.961 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.139 -2.745 5.818 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.542 -3.160 3.416 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.026 -1.512 3.712 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.661 -0.845 3.180 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.253 -4.630 2.046 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.841 -1.120 1.554 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.432 -4.909 0.421 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.725 -3.154 0.167 1.00 0.00 H new ATOM 410 N VAL A 34 -5.944 -5.263 4.978 1.00 0.00 N ATOM 411 CA VAL A 34 -5.743 -6.705 5.008 1.00 0.00 C ATOM 412 C VAL A 34 -6.707 -7.415 4.062 1.00 0.00 C ATOM 413 O VAL A 34 -7.878 -7.048 3.963 1.00 0.00 O ATOM 414 CB VAL A 34 -5.927 -7.269 6.429 1.00 0.00 C ATOM 415 CG1 VAL A 34 -7.301 -6.905 6.973 1.00 0.00 C ATOM 416 CG2 VAL A 34 -5.725 -8.777 6.435 1.00 0.00 C ATOM 0 H VAL A 34 -6.899 -4.975 4.763 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.719 -6.888 4.683 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.174 -6.823 7.079 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.414 -7.312 7.978 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.403 -5.820 7.007 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.071 -7.322 6.324 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.859 -9.158 7.447 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.453 -9.244 5.772 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.718 -9.011 6.090 1.00 0.00 H new ATOM 426 N VAL A 35 -6.207 -8.433 3.370 1.00 0.00 N ATOM 427 CA VAL A 35 -7.024 -9.194 2.433 1.00 0.00 C ATOM 428 C VAL A 35 -7.665 -10.398 3.115 1.00 0.00 C ATOM 429 O VAL A 35 -6.973 -11.251 3.670 1.00 0.00 O ATOM 430 CB VAL A 35 -6.193 -9.682 1.231 1.00 0.00 C ATOM 431 CG1 VAL A 35 -7.006 -10.640 0.373 1.00 0.00 C ATOM 432 CG2 VAL A 35 -5.702 -8.501 0.408 1.00 0.00 C ATOM 0 H VAL A 35 -5.240 -8.750 3.441 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.805 -8.522 2.077 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.323 -10.219 1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.403 -10.974 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.302 -11.502 0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.896 -10.131 0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.117 -8.864 -0.437 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.557 -7.933 0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.080 -7.858 1.030 1.00 0.00 H new ATOM 442 N ASP A 36 -8.991 -10.459 3.070 1.00 0.00 N ATOM 443 CA ASP A 36 -9.726 -11.559 3.683 1.00 0.00 C ATOM 444 C ASP A 36 -10.194 -12.555 2.627 1.00 0.00 C ATOM 445 O ASP A 36 -10.753 -12.170 1.601 1.00 0.00 O ATOM 446 CB ASP A 36 -10.928 -11.024 4.464 1.00 0.00 C ATOM 447 CG ASP A 36 -11.420 -12.004 5.511 1.00 0.00 C ATOM 448 OD1 ASP A 36 -11.690 -13.169 5.152 1.00 0.00 O ATOM 449 OD2 ASP A 36 -11.537 -11.605 6.690 1.00 0.00 O ATOM 0 H ASP A 36 -9.579 -9.760 2.616 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.055 -12.074 4.370 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.655 -10.086 4.948 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.738 -10.801 3.770 1.00 0.00 H new ATOM 454 N ALA A 37 -9.960 -13.838 2.886 1.00 0.00 N ATOM 455 CA ALA A 37 -10.358 -14.890 1.959 1.00 0.00 C ATOM 456 C ALA A 37 -11.467 -15.753 2.550 1.00 0.00 C ATOM 457 O ALA A 37 -11.333 -16.282 3.653 1.00 0.00 O ATOM 458 CB ALA A 37 -9.157 -15.749 1.589 1.00 0.00 C ATOM 0 H ALA A 37 -9.497 -14.173 3.731 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.745 -14.417 1.056 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.468 -16.531 0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.397 -15.127 1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.745 -16.205 2.489 1.00 0.00 H new ATOM 464 N LYS A 38 -12.561 -15.891 1.810 1.00 0.00 N ATOM 465 CA LYS A 38 -13.694 -16.690 2.260 1.00 0.00 C ATOM 466 C LYS A 38 -13.772 -18.006 1.491 1.00 0.00 C ATOM 467 O LYS A 38 -13.616 -19.084 2.067 1.00 0.00 O ATOM 468 CB LYS A 38 -14.998 -15.909 2.086 1.00 0.00 C ATOM 469 CG LYS A 38 -14.891 -14.450 2.496 1.00 0.00 C ATOM 470 CD LYS A 38 -16.233 -13.898 2.948 1.00 0.00 C ATOM 471 CE LYS A 38 -16.495 -14.202 4.415 1.00 0.00 C ATOM 472 NZ LYS A 38 -17.858 -13.775 4.835 1.00 0.00 N ATOM 0 H LYS A 38 -12.687 -15.459 0.895 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.550 -16.914 3.317 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.308 -15.963 1.042 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -15.780 -16.387 2.676 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.165 -14.350 3.303 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.518 -13.862 1.657 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -16.256 -12.820 2.789 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.028 -14.327 2.339 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.379 -15.272 4.591 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.750 -13.696 5.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.998 -13.999 5.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -17.960 -12.750 4.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.570 -14.277 4.266 1.00 0.00 H new ATOM 486 N THR A 39 -14.012 -17.910 0.187 1.00 0.00 N ATOM 487 CA THR A 39 -14.109 -19.092 -0.660 1.00 0.00 C ATOM 488 C THR A 39 -13.163 -18.995 -1.851 1.00 0.00 C ATOM 489 O THR A 39 -13.185 -19.841 -2.744 1.00 0.00 O ATOM 490 CB THR A 39 -15.546 -19.296 -1.177 1.00 0.00 C ATOM 491 OG1 THR A 39 -15.549 -20.233 -2.260 1.00 0.00 O ATOM 492 CG2 THR A 39 -16.148 -17.978 -1.637 1.00 0.00 C ATOM 0 H THR A 39 -14.143 -17.026 -0.305 1.00 0.00 H new ATOM 0 HA THR A 39 -13.827 -19.946 -0.044 1.00 0.00 H new ATOM 0 HB THR A 39 -16.151 -19.686 -0.359 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.651 -20.610 -2.369 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.163 -18.148 -1.998 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.172 -17.278 -0.802 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.542 -17.562 -2.442 1.00 0.00 H new ATOM 500 N ALA A 40 -12.332 -17.957 -1.857 1.00 0.00 N ATOM 501 CA ALA A 40 -11.375 -17.751 -2.937 1.00 0.00 C ATOM 502 C ALA A 40 -10.128 -18.605 -2.737 1.00 0.00 C ATOM 503 O ALA A 40 -9.011 -18.161 -3.002 1.00 0.00 O ATOM 504 CB ALA A 40 -11.000 -16.280 -3.036 1.00 0.00 C ATOM 0 H ALA A 40 -12.303 -17.246 -1.126 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.847 -18.058 -3.870 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.285 -16.141 -3.847 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.894 -15.689 -3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.552 -15.955 -2.097 1.00 0.00 H new ATOM 510 N GLY A 41 -10.325 -19.832 -2.265 1.00 0.00 N ATOM 511 CA GLY A 41 -9.207 -20.728 -2.035 1.00 0.00 C ATOM 512 C GLY A 41 -8.080 -20.064 -1.268 1.00 0.00 C ATOM 513 O GLY A 41 -8.265 -19.001 -0.675 1.00 0.00 O ATOM 0 H GLY A 41 -11.240 -20.222 -2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.553 -21.601 -1.482 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.829 -21.086 -2.993 1.00 0.00 H new ATOM 517 N LYS A 42 -6.910 -20.692 -1.279 1.00 0.00 N ATOM 518 CA LYS A 42 -5.748 -20.158 -0.578 1.00 0.00 C ATOM 519 C LYS A 42 -4.728 -19.599 -1.564 1.00 0.00 C ATOM 520 O LYS A 42 -4.861 -19.771 -2.776 1.00 0.00 O ATOM 521 CB LYS A 42 -5.100 -21.245 0.282 1.00 0.00 C ATOM 522 CG LYS A 42 -5.653 -21.313 1.695 1.00 0.00 C ATOM 523 CD LYS A 42 -7.039 -21.935 1.722 1.00 0.00 C ATOM 524 CE LYS A 42 -6.975 -23.446 1.568 1.00 0.00 C ATOM 525 NZ LYS A 42 -8.307 -24.028 1.240 1.00 0.00 N ATOM 0 H LYS A 42 -6.741 -21.572 -1.766 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.086 -19.347 0.068 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.242 -22.212 -0.201 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.026 -21.067 0.329 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.979 -21.896 2.323 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.695 -20.310 2.119 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.533 -21.685 2.661 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.644 -21.512 0.920 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.264 -23.701 0.782 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.602 -23.890 2.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.221 -25.060 1.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.980 -23.807 2.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.652 -23.624 0.346 1.00 0.00 H new ATOM 539 N GLY A 43 -3.706 -18.931 -1.038 1.00 0.00 N ATOM 540 CA GLY A 43 -2.676 -18.359 -1.887 1.00 0.00 C ATOM 541 C GLY A 43 -1.985 -17.175 -1.242 1.00 0.00 C ATOM 542 O GLY A 43 -2.450 -16.650 -0.229 1.00 0.00 O ATOM 0 H GLY A 43 -3.572 -18.775 -0.039 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.936 -19.124 -2.121 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.121 -18.046 -2.832 1.00 0.00 H new ATOM 546 N LYS A 44 -0.871 -16.751 -1.829 1.00 0.00 N ATOM 547 CA LYS A 44 -0.113 -15.621 -1.305 1.00 0.00 C ATOM 548 C LYS A 44 -0.544 -14.319 -1.975 1.00 0.00 C ATOM 549 O LYS A 44 -0.636 -14.240 -3.200 1.00 0.00 O ATOM 550 CB LYS A 44 1.387 -15.843 -1.519 1.00 0.00 C ATOM 551 CG LYS A 44 2.014 -16.778 -0.499 1.00 0.00 C ATOM 552 CD LYS A 44 1.892 -18.231 -0.925 1.00 0.00 C ATOM 553 CE LYS A 44 2.986 -19.087 -0.307 1.00 0.00 C ATOM 554 NZ LYS A 44 2.736 -19.349 1.137 1.00 0.00 N ATOM 0 H LYS A 44 -0.473 -17.173 -2.668 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.315 -15.545 -0.237 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.547 -16.248 -2.518 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.898 -14.881 -1.480 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.066 -16.523 -0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.531 -16.640 0.468 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.916 -18.617 -0.630 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.946 -18.298 -2.012 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.052 -20.034 -0.842 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.948 -18.588 -0.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.504 -19.936 1.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.699 -18.446 1.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.830 -19.848 1.248 1.00 0.00 H new ATOM 568 N VAL A 45 -0.808 -13.300 -1.163 1.00 0.00 N ATOM 569 CA VAL A 45 -1.226 -12.002 -1.677 1.00 0.00 C ATOM 570 C VAL A 45 -0.062 -11.018 -1.702 1.00 0.00 C ATOM 571 O VAL A 45 0.517 -10.696 -0.665 1.00 0.00 O ATOM 572 CB VAL A 45 -2.369 -11.407 -0.832 1.00 0.00 C ATOM 573 CG1 VAL A 45 -2.810 -10.066 -1.399 1.00 0.00 C ATOM 574 CG2 VAL A 45 -3.539 -12.375 -0.760 1.00 0.00 C ATOM 0 H VAL A 45 -0.740 -13.349 -0.146 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.581 -12.164 -2.695 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.001 -11.243 0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.618 -9.661 -0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.968 -9.374 -1.392 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.160 -10.201 -2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.337 -11.938 -0.159 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.909 -12.574 -1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.211 -13.309 -0.303 1.00 0.00 H new ATOM 584 N THR A 46 0.278 -10.544 -2.897 1.00 0.00 N ATOM 585 CA THR A 46 1.374 -9.597 -3.059 1.00 0.00 C ATOM 586 C THR A 46 0.851 -8.184 -3.294 1.00 0.00 C ATOM 587 O THR A 46 -0.103 -7.984 -4.047 1.00 0.00 O ATOM 588 CB THR A 46 2.291 -9.995 -4.231 1.00 0.00 C ATOM 589 OG1 THR A 46 1.544 -10.019 -5.452 1.00 0.00 O ATOM 590 CG2 THR A 46 2.919 -11.359 -3.988 1.00 0.00 C ATOM 0 H THR A 46 -0.190 -10.801 -3.766 1.00 0.00 H new ATOM 0 HA THR A 46 1.949 -9.618 -2.133 1.00 0.00 H new ATOM 0 HB THR A 46 3.087 -9.254 -4.308 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.135 -10.271 -6.192 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.562 -11.618 -4.829 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.512 -11.329 -3.074 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.134 -12.108 -3.887 1.00 0.00 H new ATOM 598 N CYS A 47 1.481 -7.210 -2.647 1.00 0.00 N ATOM 599 CA CYS A 47 1.078 -5.815 -2.787 1.00 0.00 C ATOM 600 C CYS A 47 2.241 -4.961 -3.279 1.00 0.00 C ATOM 601 O CYS A 47 3.386 -5.155 -2.870 1.00 0.00 O ATOM 602 CB CYS A 47 0.563 -5.276 -1.452 1.00 0.00 C ATOM 603 SG CYS A 47 0.363 -3.479 -1.409 1.00 0.00 S ATOM 0 H CYS A 47 2.272 -7.360 -2.021 1.00 0.00 H new ATOM 0 HA CYS A 47 0.277 -5.765 -3.524 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.396 -5.743 -1.230 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.253 -5.573 -0.662 1.00 0.00 H new ATOM 0 HG CYS A 47 1.263 -2.961 -0.627 1.00 0.00 H new ATOM 609 N THR A 48 1.940 -4.013 -4.162 1.00 0.00 N ATOM 610 CA THR A 48 2.960 -3.131 -4.713 1.00 0.00 C ATOM 611 C THR A 48 2.451 -1.696 -4.811 1.00 0.00 C ATOM 612 O THR A 48 1.618 -1.380 -5.660 1.00 0.00 O ATOM 613 CB THR A 48 3.415 -3.598 -6.108 1.00 0.00 C ATOM 614 OG1 THR A 48 3.931 -4.931 -6.034 1.00 0.00 O ATOM 615 CG2 THR A 48 4.478 -2.669 -6.671 1.00 0.00 C ATOM 0 H THR A 48 0.998 -3.837 -4.510 1.00 0.00 H new ATOM 0 HA THR A 48 3.810 -3.168 -4.032 1.00 0.00 H new ATOM 0 HB THR A 48 2.551 -3.579 -6.772 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.217 -5.221 -6.925 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.783 -3.020 -7.657 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.073 -1.661 -6.754 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.342 -2.659 -6.006 1.00 0.00 H new ATOM 623 N VAL A 49 2.959 -0.832 -3.939 1.00 0.00 N ATOM 624 CA VAL A 49 2.557 0.570 -3.928 1.00 0.00 C ATOM 625 C VAL A 49 3.303 1.363 -4.996 1.00 0.00 C ATOM 626 O VAL A 49 4.519 1.543 -4.914 1.00 0.00 O ATOM 627 CB VAL A 49 2.810 1.216 -2.553 1.00 0.00 C ATOM 628 CG1 VAL A 49 2.393 2.679 -2.566 1.00 0.00 C ATOM 629 CG2 VAL A 49 2.074 0.453 -1.463 1.00 0.00 C ATOM 0 H VAL A 49 3.650 -1.078 -3.230 1.00 0.00 H new ATOM 0 HA VAL A 49 1.488 0.595 -4.141 1.00 0.00 H new ATOM 0 HB VAL A 49 3.878 1.169 -2.339 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.579 3.119 -1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.970 3.215 -3.320 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.331 2.753 -2.801 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.264 0.923 -0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.004 0.466 -1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.426 -0.578 -1.440 1.00 0.00 H new ATOM 639 N LEU A 50 2.568 1.836 -5.995 1.00 0.00 N ATOM 640 CA LEU A 50 3.159 2.612 -7.080 1.00 0.00 C ATOM 641 C LEU A 50 2.898 4.102 -6.888 1.00 0.00 C ATOM 642 O LEU A 50 1.768 4.570 -7.034 1.00 0.00 O ATOM 643 CB LEU A 50 2.598 2.154 -8.426 1.00 0.00 C ATOM 644 CG LEU A 50 3.443 2.490 -9.656 1.00 0.00 C ATOM 645 CD1 LEU A 50 2.831 1.879 -10.907 1.00 0.00 C ATOM 646 CD2 LEU A 50 3.583 3.997 -9.809 1.00 0.00 C ATOM 0 H LEU A 50 1.561 1.696 -6.077 1.00 0.00 H new ATOM 0 HA LEU A 50 4.236 2.446 -7.067 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.459 1.074 -8.390 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.611 2.598 -8.556 1.00 0.00 H new ATOM 0 HG LEU A 50 4.437 2.065 -9.519 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.446 2.129 -11.772 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.783 0.796 -10.797 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.825 2.274 -11.050 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.187 4.219 -10.689 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.596 4.444 -9.924 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.067 4.409 -8.923 1.00 0.00 H new ATOM 658 N THR A 51 3.951 4.845 -6.561 1.00 0.00 N ATOM 659 CA THR A 51 3.836 6.284 -6.351 1.00 0.00 C ATOM 660 C THR A 51 3.803 7.032 -7.678 1.00 0.00 C ATOM 661 O THR A 51 4.361 6.590 -8.683 1.00 0.00 O ATOM 662 CB THR A 51 5.002 6.821 -5.501 1.00 0.00 C ATOM 663 OG1 THR A 51 6.239 6.655 -6.203 1.00 0.00 O ATOM 664 CG2 THR A 51 5.072 6.101 -4.162 1.00 0.00 C ATOM 0 H THR A 51 4.893 4.474 -6.436 1.00 0.00 H new ATOM 0 HA THR A 51 2.900 6.453 -5.819 1.00 0.00 H new ATOM 0 HB THR A 51 4.830 7.881 -5.317 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.491 5.708 -6.201 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.903 6.497 -3.579 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.141 6.255 -3.617 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.222 5.035 -4.330 1.00 0.00 H new ATOM 672 N PRO A 52 3.133 8.195 -7.686 1.00 0.00 N ATOM 673 CA PRO A 52 3.013 9.031 -8.884 1.00 0.00 C ATOM 674 C PRO A 52 4.336 9.678 -9.276 1.00 0.00 C ATOM 675 O PRO A 52 4.418 10.392 -10.275 1.00 0.00 O ATOM 676 CB PRO A 52 1.998 10.098 -8.471 1.00 0.00 C ATOM 677 CG PRO A 52 2.110 10.175 -6.988 1.00 0.00 C ATOM 678 CD PRO A 52 2.444 8.784 -6.525 1.00 0.00 C ATOM 0 HA PRO A 52 2.712 8.451 -9.756 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.222 11.058 -8.935 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.989 9.824 -8.778 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.885 10.882 -6.691 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.177 10.521 -6.544 1.00 0.00 H new ATOM 0 HD2 PRO A 52 3.083 8.797 -5.642 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.548 8.222 -6.262 1.00 0.00 H new ATOM 686 N ASP A 53 5.372 9.421 -8.484 1.00 0.00 N ATOM 687 CA ASP A 53 6.694 9.977 -8.749 1.00 0.00 C ATOM 688 C ASP A 53 7.521 9.027 -9.608 1.00 0.00 C ATOM 689 O ASP A 53 8.702 9.268 -9.857 1.00 0.00 O ATOM 690 CB ASP A 53 7.423 10.264 -7.436 1.00 0.00 C ATOM 691 CG ASP A 53 7.127 11.651 -6.899 1.00 0.00 C ATOM 692 OD1 ASP A 53 7.274 12.626 -7.665 1.00 0.00 O ATOM 693 OD2 ASP A 53 6.751 11.760 -5.714 1.00 0.00 O ATOM 0 H ASP A 53 5.321 8.831 -7.653 1.00 0.00 H new ATOM 0 HA ASP A 53 6.565 10.912 -9.295 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.133 9.521 -6.693 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.497 10.159 -7.590 1.00 0.00 H new ATOM 698 N GLY A 54 6.893 7.944 -10.057 1.00 0.00 N ATOM 699 CA GLY A 54 7.587 6.973 -10.883 1.00 0.00 C ATOM 700 C GLY A 54 8.533 6.101 -10.080 1.00 0.00 C ATOM 701 O GLY A 54 9.540 5.621 -10.602 1.00 0.00 O ATOM 0 H GLY A 54 5.916 7.722 -9.863 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.856 6.342 -11.388 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.148 7.495 -11.658 1.00 0.00 H new ATOM 705 N THR A 55 8.212 5.898 -8.807 1.00 0.00 N ATOM 706 CA THR A 55 9.042 5.081 -7.930 1.00 0.00 C ATOM 707 C THR A 55 8.217 3.999 -7.243 1.00 0.00 C ATOM 708 O THR A 55 7.099 4.251 -6.793 1.00 0.00 O ATOM 709 CB THR A 55 9.738 5.938 -6.857 1.00 0.00 C ATOM 710 OG1 THR A 55 8.902 7.042 -6.492 1.00 0.00 O ATOM 711 CG2 THR A 55 11.077 6.455 -7.363 1.00 0.00 C ATOM 0 H THR A 55 7.383 6.288 -8.359 1.00 0.00 H new ATOM 0 HA THR A 55 9.800 4.613 -8.558 1.00 0.00 H new ATOM 0 HB THR A 55 9.914 5.312 -5.982 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.962 6.769 -6.535 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.551 7.058 -6.588 1.00 0.00 H new ATOM 0 HG22 THR A 55 11.722 5.612 -7.612 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.919 7.066 -8.252 1.00 0.00 H new ATOM 719 N GLU A 56 8.775 2.795 -7.165 1.00 0.00 N ATOM 720 CA GLU A 56 8.088 1.675 -6.532 1.00 0.00 C ATOM 721 C GLU A 56 8.338 1.664 -5.027 1.00 0.00 C ATOM 722 O GLU A 56 9.476 1.534 -4.576 1.00 0.00 O ATOM 723 CB GLU A 56 8.551 0.352 -7.146 1.00 0.00 C ATOM 724 CG GLU A 56 7.971 0.085 -8.525 1.00 0.00 C ATOM 725 CD GLU A 56 8.808 -0.889 -9.331 1.00 0.00 C ATOM 726 OE1 GLU A 56 10.041 -0.916 -9.134 1.00 0.00 O ATOM 727 OE2 GLU A 56 8.230 -1.624 -10.160 1.00 0.00 O ATOM 0 H GLU A 56 9.700 2.570 -7.532 1.00 0.00 H new ATOM 0 HA GLU A 56 7.018 1.793 -6.705 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.639 0.353 -7.213 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.273 -0.465 -6.480 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.961 -0.310 -8.420 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.890 1.026 -9.069 1.00 0.00 H new ATOM 734 N ALA A 57 7.266 1.804 -4.255 1.00 0.00 N ATOM 735 CA ALA A 57 7.367 1.810 -2.800 1.00 0.00 C ATOM 736 C ALA A 57 7.328 0.391 -2.242 1.00 0.00 C ATOM 737 O ALA A 57 6.605 -0.465 -2.749 1.00 0.00 O ATOM 738 CB ALA A 57 6.250 2.648 -2.196 1.00 0.00 C ATOM 0 H ALA A 57 6.317 1.915 -4.612 1.00 0.00 H new ATOM 0 HA ALA A 57 8.325 2.253 -2.529 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.338 2.643 -1.110 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.325 3.672 -2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.285 2.230 -2.483 1.00 0.00 H new ATOM 744 N GLU A 58 8.112 0.151 -1.195 1.00 0.00 N ATOM 745 CA GLU A 58 8.167 -1.165 -0.570 1.00 0.00 C ATOM 746 C GLU A 58 6.974 -1.377 0.358 1.00 0.00 C ATOM 747 O GLU A 58 6.644 -0.514 1.170 1.00 0.00 O ATOM 748 CB GLU A 58 9.471 -1.328 0.213 1.00 0.00 C ATOM 749 CG GLU A 58 9.732 -0.203 1.201 1.00 0.00 C ATOM 750 CD GLU A 58 10.428 0.985 0.562 1.00 0.00 C ATOM 751 OE1 GLU A 58 11.671 0.957 0.456 1.00 0.00 O ATOM 752 OE2 GLU A 58 9.727 1.939 0.167 1.00 0.00 O ATOM 0 H GLU A 58 8.717 0.850 -0.763 1.00 0.00 H new ATOM 0 HA GLU A 58 8.129 -1.916 -1.359 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.445 -2.275 0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.302 -1.383 -0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.786 0.124 1.632 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.343 -0.579 2.021 1.00 0.00 H new ATOM 759 N ALA A 59 6.330 -2.534 0.230 1.00 0.00 N ATOM 760 CA ALA A 59 5.175 -2.861 1.056 1.00 0.00 C ATOM 761 C ALA A 59 5.434 -4.112 1.889 1.00 0.00 C ATOM 762 O ALA A 59 5.904 -5.126 1.374 1.00 0.00 O ATOM 763 CB ALA A 59 3.941 -3.048 0.187 1.00 0.00 C ATOM 0 H ALA A 59 6.590 -3.260 -0.438 1.00 0.00 H new ATOM 0 HA ALA A 59 5.000 -2.031 1.740 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.086 -3.292 0.817 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.738 -2.127 -0.360 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.114 -3.859 -0.520 1.00 0.00 H new ATOM 769 N ASP A 60 5.122 -4.032 3.178 1.00 0.00 N ATOM 770 CA ASP A 60 5.320 -5.160 4.083 1.00 0.00 C ATOM 771 C ASP A 60 4.066 -6.026 4.155 1.00 0.00 C ATOM 772 O ASP A 60 2.965 -5.524 4.383 1.00 0.00 O ATOM 773 CB ASP A 60 5.691 -4.660 5.480 1.00 0.00 C ATOM 774 CG ASP A 60 7.083 -4.062 5.531 1.00 0.00 C ATOM 775 OD1 ASP A 60 8.052 -4.830 5.703 1.00 0.00 O ATOM 776 OD2 ASP A 60 7.204 -2.826 5.399 1.00 0.00 O ATOM 0 H ASP A 60 4.732 -3.200 3.620 1.00 0.00 H new ATOM 0 HA ASP A 60 6.137 -5.768 3.694 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.966 -3.912 5.799 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.628 -5.487 6.187 1.00 0.00 H new ATOM 781 N VAL A 61 4.241 -7.328 3.958 1.00 0.00 N ATOM 782 CA VAL A 61 3.123 -8.264 4.000 1.00 0.00 C ATOM 783 C VAL A 61 3.287 -9.264 5.139 1.00 0.00 C ATOM 784 O VAL A 61 4.389 -9.748 5.401 1.00 0.00 O ATOM 785 CB VAL A 61 2.985 -9.033 2.673 1.00 0.00 C ATOM 786 CG1 VAL A 61 1.742 -9.909 2.691 1.00 0.00 C ATOM 787 CG2 VAL A 61 2.948 -8.066 1.498 1.00 0.00 C ATOM 0 H VAL A 61 5.146 -7.759 3.768 1.00 0.00 H new ATOM 0 HA VAL A 61 2.222 -7.674 4.165 1.00 0.00 H new ATOM 0 HB VAL A 61 3.855 -9.679 2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.661 -10.445 1.745 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.814 -10.626 3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.859 -9.285 2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.850 -8.627 0.568 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.097 -7.393 1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.870 -7.485 1.476 1.00 0.00 H new ATOM 797 N ILE A 62 2.184 -9.570 5.814 1.00 0.00 N ATOM 798 CA ILE A 62 2.206 -10.514 6.924 1.00 0.00 C ATOM 799 C ILE A 62 1.064 -11.519 6.814 1.00 0.00 C ATOM 800 O ILE A 62 -0.101 -11.172 6.997 1.00 0.00 O ATOM 801 CB ILE A 62 2.107 -9.790 8.280 1.00 0.00 C ATOM 802 CG1 ILE A 62 3.235 -8.766 8.419 1.00 0.00 C ATOM 803 CG2 ILE A 62 2.152 -10.796 9.422 1.00 0.00 C ATOM 804 CD1 ILE A 62 2.880 -7.398 7.883 1.00 0.00 C ATOM 0 H ILE A 62 1.264 -9.178 5.611 1.00 0.00 H new ATOM 0 HA ILE A 62 3.158 -11.042 6.871 1.00 0.00 H new ATOM 0 HB ILE A 62 1.155 -9.261 8.325 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.505 -8.676 9.471 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.116 -9.135 7.894 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.081 -10.269 10.374 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.317 -11.490 9.328 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.090 -11.349 9.383 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.727 -6.724 8.015 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.639 -7.474 6.823 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.018 -7.008 8.424 1.00 0.00 H new ATOM 816 N GLU A 63 1.409 -12.767 6.513 1.00 0.00 N ATOM 817 CA GLU A 63 0.412 -13.823 6.378 1.00 0.00 C ATOM 818 C GLU A 63 -0.095 -14.270 7.747 1.00 0.00 C ATOM 819 O GLU A 63 0.602 -14.136 8.752 1.00 0.00 O ATOM 820 CB GLU A 63 1.002 -15.019 5.626 1.00 0.00 C ATOM 821 CG GLU A 63 2.216 -15.628 6.307 1.00 0.00 C ATOM 822 CD GLU A 63 2.379 -17.103 5.996 1.00 0.00 C ATOM 823 OE1 GLU A 63 3.020 -17.426 4.973 1.00 0.00 O ATOM 824 OE2 GLU A 63 1.867 -17.935 6.775 1.00 0.00 O ATOM 0 H GLU A 63 2.370 -13.071 6.358 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.428 -13.424 5.810 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.234 -15.785 5.519 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.280 -14.704 4.620 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.112 -15.093 5.992 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.128 -15.495 7.385 1.00 0.00 H new ATOM 831 N ASN A 64 -1.313 -14.800 7.775 1.00 0.00 N ATOM 832 CA ASN A 64 -1.916 -15.266 9.019 1.00 0.00 C ATOM 833 C ASN A 64 -2.280 -16.745 8.927 1.00 0.00 C ATOM 834 O ASN A 64 -2.346 -17.310 7.837 1.00 0.00 O ATOM 835 CB ASN A 64 -3.162 -14.441 9.346 1.00 0.00 C ATOM 836 CG ASN A 64 -2.847 -13.234 10.209 1.00 0.00 C ATOM 837 OD1 ASN A 64 -1.920 -12.403 9.747 1.00 0.00 O flip ATOM 838 ND2 ASN A 64 -3.429 -13.052 11.278 1.00 0.00 N flip ATOM 0 H ASN A 64 -1.902 -14.918 6.951 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.185 -15.140 9.818 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.628 -14.109 8.418 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.888 -15.072 9.860 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.135 -13.717 11.594 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.206 -12.236 11.848 1.00 0.00 H new ATOM 845 N GLU A 65 -2.515 -17.363 10.080 1.00 0.00 N ATOM 846 CA GLU A 65 -2.872 -18.775 10.129 1.00 0.00 C ATOM 847 C GLU A 65 -4.293 -18.996 9.616 1.00 0.00 C ATOM 848 O GLU A 65 -4.629 -20.076 9.130 1.00 0.00 O ATOM 849 CB GLU A 65 -2.747 -19.307 11.559 1.00 0.00 C ATOM 850 CG GLU A 65 -3.090 -20.781 11.692 1.00 0.00 C ATOM 851 CD GLU A 65 -3.579 -21.144 13.081 1.00 0.00 C ATOM 852 OE1 GLU A 65 -4.574 -20.541 13.534 1.00 0.00 O ATOM 853 OE2 GLU A 65 -2.965 -22.028 13.714 1.00 0.00 O ATOM 0 H GLU A 65 -2.465 -16.908 10.992 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.182 -19.319 9.484 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.727 -19.147 11.909 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.403 -18.730 12.211 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.857 -21.039 10.962 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.210 -21.378 11.453 1.00 0.00 H new ATOM 860 N ASP A 66 -5.122 -17.964 9.727 1.00 0.00 N ATOM 861 CA ASP A 66 -6.506 -18.043 9.274 1.00 0.00 C ATOM 862 C ASP A 66 -6.592 -17.885 7.759 1.00 0.00 C ATOM 863 O ASP A 66 -7.578 -18.281 7.139 1.00 0.00 O ATOM 864 CB ASP A 66 -7.351 -16.968 9.960 1.00 0.00 C ATOM 865 CG ASP A 66 -7.302 -15.639 9.231 1.00 0.00 C ATOM 866 OD1 ASP A 66 -7.718 -15.592 8.054 1.00 0.00 O ATOM 867 OD2 ASP A 66 -6.844 -14.647 9.836 1.00 0.00 O ATOM 0 H ASP A 66 -4.860 -17.063 10.127 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.895 -19.026 9.541 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.385 -17.307 10.021 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.999 -16.831 10.983 1.00 0.00 H new ATOM 872 N GLY A 67 -5.552 -17.304 7.169 1.00 0.00 N ATOM 873 CA GLY A 67 -5.530 -17.104 5.733 1.00 0.00 C ATOM 874 C GLY A 67 -5.710 -15.648 5.347 1.00 0.00 C ATOM 875 O GLY A 67 -6.354 -15.338 4.345 1.00 0.00 O ATOM 0 H GLY A 67 -4.724 -16.968 7.661 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.584 -17.468 5.333 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.320 -17.699 5.274 1.00 0.00 H new ATOM 879 N THR A 68 -5.139 -14.751 6.146 1.00 0.00 N ATOM 880 CA THR A 68 -5.241 -13.321 5.886 1.00 0.00 C ATOM 881 C THR A 68 -3.861 -12.682 5.780 1.00 0.00 C ATOM 882 O THR A 68 -2.914 -13.114 6.438 1.00 0.00 O ATOM 883 CB THR A 68 -6.043 -12.605 6.988 1.00 0.00 C ATOM 884 OG1 THR A 68 -5.622 -13.066 8.277 1.00 0.00 O ATOM 885 CG2 THR A 68 -7.535 -12.851 6.818 1.00 0.00 C ATOM 0 H THR A 68 -4.601 -14.991 6.979 1.00 0.00 H new ATOM 0 HA THR A 68 -5.764 -13.209 4.936 1.00 0.00 H new ATOM 0 HB THR A 68 -5.856 -11.534 6.906 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.394 -13.422 8.765 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.081 -12.335 7.608 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.858 -12.474 5.848 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.736 -13.921 6.876 1.00 0.00 H new ATOM 893 N TYR A 69 -3.754 -11.650 4.949 1.00 0.00 N ATOM 894 CA TYR A 69 -2.488 -10.953 4.756 1.00 0.00 C ATOM 895 C TYR A 69 -2.615 -9.481 5.135 1.00 0.00 C ATOM 896 O TYR A 69 -3.488 -8.772 4.634 1.00 0.00 O ATOM 897 CB TYR A 69 -2.028 -11.080 3.303 1.00 0.00 C ATOM 898 CG TYR A 69 -1.616 -12.482 2.919 1.00 0.00 C ATOM 899 CD1 TYR A 69 -2.520 -13.535 2.981 1.00 0.00 C ATOM 900 CD2 TYR A 69 -0.321 -12.755 2.494 1.00 0.00 C ATOM 901 CE1 TYR A 69 -2.148 -14.818 2.632 1.00 0.00 C ATOM 902 CE2 TYR A 69 0.060 -14.034 2.140 1.00 0.00 C ATOM 903 CZ TYR A 69 -0.857 -15.063 2.211 1.00 0.00 C ATOM 904 OH TYR A 69 -0.481 -16.340 1.861 1.00 0.00 O ATOM 0 H TYR A 69 -4.528 -11.278 4.399 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.745 -11.414 5.406 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -2.834 -10.754 2.646 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -1.189 -10.405 3.136 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -3.532 -13.347 3.308 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.400 -11.953 2.440 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.863 -15.625 2.688 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.070 -14.228 1.809 1.00 0.00 H new ATOM 0 HH TYR A 69 -1.135 -16.713 1.234 1.00 0.00 H new ATOM 914 N ASP A 70 -1.738 -9.027 6.024 1.00 0.00 N ATOM 915 CA ASP A 70 -1.749 -7.639 6.470 1.00 0.00 C ATOM 916 C ASP A 70 -0.696 -6.822 5.729 1.00 0.00 C ATOM 917 O ASP A 70 0.461 -7.229 5.625 1.00 0.00 O ATOM 918 CB ASP A 70 -1.502 -7.564 7.978 1.00 0.00 C ATOM 919 CG ASP A 70 -2.425 -8.475 8.762 1.00 0.00 C ATOM 920 OD1 ASP A 70 -2.353 -9.707 8.565 1.00 0.00 O ATOM 921 OD2 ASP A 70 -3.221 -7.957 9.573 1.00 0.00 O ATOM 0 H ASP A 70 -1.010 -9.601 6.450 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.730 -7.220 6.249 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.467 -7.833 8.187 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.638 -6.536 8.315 1.00 0.00 H new ATOM 926 N ILE A 71 -1.106 -5.667 5.214 1.00 0.00 N ATOM 927 CA ILE A 71 -0.198 -4.793 4.482 1.00 0.00 C ATOM 928 C ILE A 71 -0.266 -3.364 5.009 1.00 0.00 C ATOM 929 O ILE A 71 -1.320 -2.901 5.444 1.00 0.00 O ATOM 930 CB ILE A 71 -0.514 -4.787 2.974 1.00 0.00 C ATOM 931 CG1 ILE A 71 -0.397 -6.201 2.401 1.00 0.00 C ATOM 932 CG2 ILE A 71 0.417 -3.834 2.241 1.00 0.00 C ATOM 933 CD1 ILE A 71 -1.163 -6.395 1.111 1.00 0.00 C ATOM 0 H ILE A 71 -2.060 -5.315 5.290 1.00 0.00 H new ATOM 0 HA ILE A 71 0.807 -5.186 4.633 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.538 -4.442 2.834 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.655 -6.428 2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.759 -6.915 3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.181 -3.841 1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.289 -2.826 2.634 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.450 -4.151 2.386 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.035 -7.420 0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.221 -6.200 1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.785 -5.705 0.356 1.00 0.00 H new ATOM 945 N PHE A 72 0.865 -2.668 4.966 1.00 0.00 N ATOM 946 CA PHE A 72 0.935 -1.290 5.439 1.00 0.00 C ATOM 947 C PHE A 72 1.864 -0.459 4.559 1.00 0.00 C ATOM 948 O PHE A 72 2.837 -0.973 4.006 1.00 0.00 O ATOM 949 CB PHE A 72 1.418 -1.251 6.890 1.00 0.00 C ATOM 950 CG PHE A 72 0.719 -2.237 7.781 1.00 0.00 C ATOM 951 CD1 PHE A 72 1.122 -3.563 7.819 1.00 0.00 C ATOM 952 CD2 PHE A 72 -0.339 -1.839 8.582 1.00 0.00 C ATOM 953 CE1 PHE A 72 0.481 -4.473 8.638 1.00 0.00 C ATOM 954 CE2 PHE A 72 -0.983 -2.745 9.404 1.00 0.00 C ATOM 955 CZ PHE A 72 -0.573 -4.063 9.431 1.00 0.00 C ATOM 0 H PHE A 72 1.747 -3.036 4.608 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.066 -0.862 5.385 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.490 -1.449 6.913 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.270 -0.247 7.287 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.946 -3.888 7.202 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.664 -0.809 8.564 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.804 -5.503 8.658 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.806 -2.422 10.024 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.076 -4.773 10.071 1.00 0.00 H new ATOM 965 N TYR A 73 1.556 0.827 4.433 1.00 0.00 N ATOM 966 CA TYR A 73 2.360 1.729 3.618 1.00 0.00 C ATOM 967 C TYR A 73 2.067 3.185 3.966 1.00 0.00 C ATOM 968 O TYR A 73 1.053 3.495 4.592 1.00 0.00 O ATOM 969 CB TYR A 73 2.091 1.485 2.132 1.00 0.00 C ATOM 970 CG TYR A 73 0.799 2.097 1.642 1.00 0.00 C ATOM 971 CD1 TYR A 73 0.700 3.462 1.403 1.00 0.00 C ATOM 972 CD2 TYR A 73 -0.324 1.309 1.417 1.00 0.00 C ATOM 973 CE1 TYR A 73 -0.479 4.025 0.956 1.00 0.00 C ATOM 974 CE2 TYR A 73 -1.507 1.864 0.969 1.00 0.00 C ATOM 975 CZ TYR A 73 -1.581 3.222 0.740 1.00 0.00 C ATOM 976 OH TYR A 73 -2.756 3.780 0.293 1.00 0.00 O ATOM 0 H TYR A 73 0.755 1.268 4.885 1.00 0.00 H new ATOM 0 HA TYR A 73 3.410 1.528 3.828 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.919 1.890 1.550 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.067 0.411 1.947 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.560 4.094 1.570 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.271 0.245 1.595 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.539 5.088 0.776 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.370 1.237 0.799 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.506 3.192 0.523 1.00 0.00 H new ATOM 986 N THR A 74 2.964 4.077 3.556 1.00 0.00 N ATOM 987 CA THR A 74 2.804 5.500 3.825 1.00 0.00 C ATOM 988 C THR A 74 2.916 6.317 2.542 1.00 0.00 C ATOM 989 O THR A 74 3.629 5.939 1.614 1.00 0.00 O ATOM 990 CB THR A 74 3.854 6.004 4.833 1.00 0.00 C ATOM 991 OG1 THR A 74 3.821 5.199 6.016 1.00 0.00 O ATOM 992 CG2 THR A 74 3.600 7.459 5.196 1.00 0.00 C ATOM 0 H THR A 74 3.809 3.838 3.036 1.00 0.00 H new ATOM 0 HA THR A 74 1.810 5.631 4.252 1.00 0.00 H new ATOM 0 HB THR A 74 4.838 5.928 4.369 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.492 5.524 6.652 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.354 7.793 5.909 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.654 8.073 4.297 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.610 7.555 5.643 1.00 0.00 H new ATOM 1000 N ALA A 75 2.205 7.440 2.498 1.00 0.00 N ATOM 1001 CA ALA A 75 2.227 8.312 1.330 1.00 0.00 C ATOM 1002 C ALA A 75 3.063 9.560 1.593 1.00 0.00 C ATOM 1003 O ALA A 75 2.596 10.510 2.223 1.00 0.00 O ATOM 1004 CB ALA A 75 0.810 8.697 0.932 1.00 0.00 C ATOM 0 H ALA A 75 1.607 7.767 3.257 1.00 0.00 H new ATOM 0 HA ALA A 75 2.687 7.765 0.507 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.842 9.348 0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.242 7.798 0.694 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.330 9.221 1.758 1.00 0.00 H new ATOM 1010 N ALA A 76 4.298 9.553 1.105 1.00 0.00 N ATOM 1011 CA ALA A 76 5.198 10.685 1.287 1.00 0.00 C ATOM 1012 C ALA A 76 4.630 11.946 0.642 1.00 0.00 C ATOM 1013 O ALA A 76 4.522 12.990 1.287 1.00 0.00 O ATOM 1014 CB ALA A 76 6.570 10.367 0.710 1.00 0.00 C ATOM 0 H ALA A 76 4.699 8.776 0.580 1.00 0.00 H new ATOM 0 HA ALA A 76 5.300 10.869 2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.232 11.221 0.853 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.986 9.497 1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.477 10.155 -0.355 1.00 0.00 H new ATOM 1020 N LYS A 77 4.271 11.842 -0.632 1.00 0.00 N ATOM 1021 CA LYS A 77 3.714 12.974 -1.364 1.00 0.00 C ATOM 1022 C LYS A 77 2.363 12.614 -1.976 1.00 0.00 C ATOM 1023 O LYS A 77 2.097 11.461 -2.316 1.00 0.00 O ATOM 1024 CB LYS A 77 4.680 13.422 -2.463 1.00 0.00 C ATOM 1025 CG LYS A 77 5.982 13.996 -1.932 1.00 0.00 C ATOM 1026 CD LYS A 77 5.780 15.381 -1.340 1.00 0.00 C ATOM 1027 CE LYS A 77 5.599 16.430 -2.427 1.00 0.00 C ATOM 1028 NZ LYS A 77 5.458 17.799 -1.859 1.00 0.00 N ATOM 0 H LYS A 77 4.355 10.986 -1.180 1.00 0.00 H new ATOM 0 HA LYS A 77 3.568 13.794 -0.660 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.904 12.572 -3.107 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.189 14.171 -3.084 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.391 13.330 -1.172 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.714 14.047 -2.738 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.906 15.376 -0.689 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.638 15.642 -0.720 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.454 16.404 -3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.716 16.190 -3.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.337 18.485 -2.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.628 17.832 -1.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.311 18.038 -1.314 1.00 0.00 H new ATOM 1042 N PRO A 78 1.491 13.622 -2.120 1.00 0.00 N ATOM 1043 CA PRO A 78 0.154 13.437 -2.694 1.00 0.00 C ATOM 1044 C PRO A 78 0.201 13.133 -4.187 1.00 0.00 C ATOM 1045 O PRO A 78 1.260 13.197 -4.812 1.00 0.00 O ATOM 1046 CB PRO A 78 -0.529 14.783 -2.443 1.00 0.00 C ATOM 1047 CG PRO A 78 0.589 15.765 -2.352 1.00 0.00 C ATOM 1048 CD PRO A 78 1.743 15.022 -1.737 1.00 0.00 C ATOM 0 HA PRO A 78 -0.367 12.590 -2.248 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.213 15.037 -3.253 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.115 14.764 -1.524 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.853 16.149 -3.338 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.307 16.622 -1.741 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.700 15.377 -2.120 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.768 15.144 -0.654 1.00 0.00 H new ATOM 1056 N GLY A 79 -0.954 12.802 -4.755 1.00 0.00 N ATOM 1057 CA GLY A 79 -1.023 12.493 -6.172 1.00 0.00 C ATOM 1058 C GLY A 79 -1.893 11.287 -6.461 1.00 0.00 C ATOM 1059 O GLY A 79 -2.921 11.083 -5.814 1.00 0.00 O ATOM 0 H GLY A 79 -1.844 12.742 -4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.414 13.356 -6.710 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.017 12.310 -6.550 1.00 0.00 H new ATOM 1063 N THR A 80 -1.483 10.483 -7.438 1.00 0.00 N ATOM 1064 CA THR A 80 -2.234 9.292 -7.814 1.00 0.00 C ATOM 1065 C THR A 80 -1.423 8.028 -7.558 1.00 0.00 C ATOM 1066 O THR A 80 -0.503 7.705 -8.308 1.00 0.00 O ATOM 1067 CB THR A 80 -2.646 9.332 -9.299 1.00 0.00 C ATOM 1068 OG1 THR A 80 -3.269 10.586 -9.600 1.00 0.00 O ATOM 1069 CG2 THR A 80 -3.600 8.194 -9.626 1.00 0.00 C ATOM 0 H THR A 80 -0.634 10.636 -7.983 1.00 0.00 H new ATOM 0 HA THR A 80 -3.132 9.276 -7.196 1.00 0.00 H new ATOM 0 HB THR A 80 -1.748 9.218 -9.907 1.00 0.00 H new ATOM 0 HG1 THR A 80 -3.526 10.605 -10.545 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.877 8.243 -10.679 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.112 7.241 -9.423 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.496 8.282 -9.011 1.00 0.00 H new ATOM 1077 N TYR A 81 -1.772 7.313 -6.494 1.00 0.00 N ATOM 1078 CA TYR A 81 -1.075 6.083 -6.137 1.00 0.00 C ATOM 1079 C TYR A 81 -1.797 4.864 -6.703 1.00 0.00 C ATOM 1080 O TYR A 81 -3.024 4.777 -6.656 1.00 0.00 O ATOM 1081 CB TYR A 81 -0.959 5.960 -4.617 1.00 0.00 C ATOM 1082 CG TYR A 81 0.134 6.819 -4.021 1.00 0.00 C ATOM 1083 CD1 TYR A 81 0.134 8.197 -4.196 1.00 0.00 C ATOM 1084 CD2 TYR A 81 1.167 6.251 -3.285 1.00 0.00 C ATOM 1085 CE1 TYR A 81 1.131 8.986 -3.655 1.00 0.00 C ATOM 1086 CE2 TYR A 81 2.167 7.032 -2.739 1.00 0.00 C ATOM 1087 CZ TYR A 81 2.145 8.399 -2.927 1.00 0.00 C ATOM 1088 OH TYR A 81 3.140 9.180 -2.385 1.00 0.00 O ATOM 0 H TYR A 81 -2.534 7.564 -5.864 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.075 6.124 -6.569 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.912 6.234 -4.165 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.772 4.918 -4.359 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.659 8.660 -4.765 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.188 5.181 -3.138 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.116 10.056 -3.801 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.962 6.575 -2.168 1.00 0.00 H new ATOM 0 HH TYR A 81 2.968 10.121 -2.596 1.00 0.00 H new ATOM 1098 N VAL A 82 -1.025 3.923 -7.238 1.00 0.00 N ATOM 1099 CA VAL A 82 -1.588 2.708 -7.813 1.00 0.00 C ATOM 1100 C VAL A 82 -1.082 1.469 -7.082 1.00 0.00 C ATOM 1101 O VAL A 82 0.111 1.162 -7.114 1.00 0.00 O ATOM 1102 CB VAL A 82 -1.248 2.584 -9.309 1.00 0.00 C ATOM 1103 CG1 VAL A 82 -1.691 1.232 -9.848 1.00 0.00 C ATOM 1104 CG2 VAL A 82 -1.886 3.717 -10.097 1.00 0.00 C ATOM 0 H VAL A 82 -0.008 3.979 -7.285 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.670 2.776 -7.700 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.167 2.657 -9.424 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.442 1.163 -10.907 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.181 0.438 -9.303 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.768 1.125 -9.721 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.635 3.613 -11.152 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.969 3.679 -9.976 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.513 4.672 -9.728 1.00 0.00 H new ATOM 1114 N ILE A 83 -1.995 0.760 -6.427 1.00 0.00 N ATOM 1115 CA ILE A 83 -1.640 -0.446 -5.690 1.00 0.00 C ATOM 1116 C ILE A 83 -2.048 -1.699 -6.459 1.00 0.00 C ATOM 1117 O ILE A 83 -3.204 -1.849 -6.854 1.00 0.00 O ATOM 1118 CB ILE A 83 -2.302 -0.473 -4.300 1.00 0.00 C ATOM 1119 CG1 ILE A 83 -1.858 0.739 -3.477 1.00 0.00 C ATOM 1120 CG2 ILE A 83 -1.962 -1.766 -3.575 1.00 0.00 C ATOM 1121 CD1 ILE A 83 -2.750 1.023 -2.289 1.00 0.00 C ATOM 0 H ILE A 83 -2.986 1.000 -6.392 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.557 -0.433 -5.567 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.383 -0.426 -4.428 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.839 0.575 -3.125 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.835 1.617 -4.122 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.438 -1.769 -2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.323 -2.615 -4.156 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.881 -1.842 -3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.375 1.895 -1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.765 1.219 -2.635 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.754 0.161 -1.622 1.00 0.00 H new ATOM 1133 N TYR A 84 -1.092 -2.598 -6.664 1.00 0.00 N ATOM 1134 CA TYR A 84 -1.351 -3.838 -7.385 1.00 0.00 C ATOM 1135 C TYR A 84 -1.494 -5.010 -6.419 1.00 0.00 C ATOM 1136 O TYR A 84 -0.601 -5.282 -5.617 1.00 0.00 O ATOM 1137 CB TYR A 84 -0.223 -4.118 -8.381 1.00 0.00 C ATOM 1138 CG TYR A 84 -0.053 -3.038 -9.423 1.00 0.00 C ATOM 1139 CD1 TYR A 84 -1.095 -2.700 -10.279 1.00 0.00 C ATOM 1140 CD2 TYR A 84 1.150 -2.354 -9.555 1.00 0.00 C ATOM 1141 CE1 TYR A 84 -0.944 -1.712 -11.233 1.00 0.00 C ATOM 1142 CE2 TYR A 84 1.309 -1.364 -10.506 1.00 0.00 C ATOM 1143 CZ TYR A 84 0.260 -1.048 -11.343 1.00 0.00 C ATOM 1144 OH TYR A 84 0.415 -0.064 -12.293 1.00 0.00 O ATOM 0 H TYR A 84 -0.130 -2.491 -6.341 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.288 -3.723 -7.930 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.713 -4.234 -7.834 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.419 -5.066 -8.882 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -2.039 -3.219 -10.197 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.975 -2.601 -8.903 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.764 -1.461 -11.889 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.250 -0.841 -10.593 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.464 0.203 -12.634 1.00 0.00 H new ATOM 1154 N VAL A 85 -2.627 -5.701 -6.503 1.00 0.00 N ATOM 1155 CA VAL A 85 -2.890 -6.846 -5.638 1.00 0.00 C ATOM 1156 C VAL A 85 -3.134 -8.108 -6.458 1.00 0.00 C ATOM 1157 O VAL A 85 -3.893 -8.095 -7.426 1.00 0.00 O ATOM 1158 CB VAL A 85 -4.106 -6.594 -4.728 1.00 0.00 C ATOM 1159 CG1 VAL A 85 -4.423 -7.833 -3.904 1.00 0.00 C ATOM 1160 CG2 VAL A 85 -3.857 -5.394 -3.827 1.00 0.00 C ATOM 0 H VAL A 85 -3.377 -5.488 -7.161 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.005 -6.985 -5.017 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.969 -6.375 -5.357 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.285 -7.636 -3.267 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.647 -8.666 -4.571 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.564 -8.087 -3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.727 -5.230 -3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.982 -5.582 -3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.684 -4.509 -4.439 1.00 0.00 H new ATOM 1170 N ARG A 86 -2.486 -9.199 -6.061 1.00 0.00 N ATOM 1171 CA ARG A 86 -2.632 -10.470 -6.758 1.00 0.00 C ATOM 1172 C ARG A 86 -2.717 -11.627 -5.767 1.00 0.00 C ATOM 1173 O ARG A 86 -1.942 -11.700 -4.813 1.00 0.00 O ATOM 1174 CB ARG A 86 -1.458 -10.690 -7.715 1.00 0.00 C ATOM 1175 CG ARG A 86 -1.111 -12.154 -7.928 1.00 0.00 C ATOM 1176 CD ARG A 86 0.002 -12.320 -8.951 1.00 0.00 C ATOM 1177 NE ARG A 86 -0.517 -12.454 -10.309 1.00 0.00 N ATOM 1178 CZ ARG A 86 0.220 -12.846 -11.342 1.00 0.00 C ATOM 1179 NH1 ARG A 86 1.503 -13.141 -11.172 1.00 0.00 N ATOM 1180 NH2 ARG A 86 -0.324 -12.945 -12.548 1.00 0.00 N ATOM 0 H ARG A 86 -1.855 -9.227 -5.260 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.558 -10.436 -7.332 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.696 -10.238 -8.678 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.582 -10.171 -7.327 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.805 -12.598 -6.981 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.997 -12.694 -8.262 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.670 -11.460 -8.902 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.595 -13.200 -8.701 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.499 -12.235 -10.473 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.925 -13.067 -10.246 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.067 -13.442 -11.967 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.310 -12.720 -12.683 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.243 -13.246 -13.340 1.00 0.00 H new ATOM 1194 N PHE A 87 -3.664 -12.530 -6.000 1.00 0.00 N ATOM 1195 CA PHE A 87 -3.851 -13.683 -5.127 1.00 0.00 C ATOM 1196 C PHE A 87 -3.604 -14.985 -5.884 1.00 0.00 C ATOM 1197 O PHE A 87 -4.279 -15.281 -6.869 1.00 0.00 O ATOM 1198 CB PHE A 87 -5.266 -13.681 -4.542 1.00 0.00 C ATOM 1199 CG PHE A 87 -5.640 -14.974 -3.875 1.00 0.00 C ATOM 1200 CD1 PHE A 87 -6.090 -16.050 -4.624 1.00 0.00 C ATOM 1201 CD2 PHE A 87 -5.542 -15.114 -2.500 1.00 0.00 C ATOM 1202 CE1 PHE A 87 -6.434 -17.241 -4.014 1.00 0.00 C ATOM 1203 CE2 PHE A 87 -5.886 -16.303 -1.884 1.00 0.00 C ATOM 1204 CZ PHE A 87 -6.333 -17.367 -2.642 1.00 0.00 C ATOM 0 H PHE A 87 -4.313 -12.486 -6.785 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.128 -13.613 -4.314 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.350 -12.870 -3.818 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.980 -13.473 -5.339 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.173 -15.956 -5.697 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.193 -14.285 -1.903 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.781 -18.073 -4.609 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.805 -16.399 -0.811 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.603 -18.296 -2.163 1.00 0.00 H new ATOM 1214 N GLY A 88 -2.629 -15.758 -5.416 1.00 0.00 N ATOM 1215 CA GLY A 88 -2.309 -17.018 -6.061 1.00 0.00 C ATOM 1216 C GLY A 88 -2.098 -16.869 -7.554 1.00 0.00 C ATOM 1217 O GLY A 88 -2.478 -17.743 -8.332 1.00 0.00 O ATOM 0 H GLY A 88 -2.056 -15.535 -4.603 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.408 -17.435 -5.610 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.115 -17.730 -5.881 1.00 0.00 H new ATOM 1221 N GLY A 89 -1.493 -15.756 -7.956 1.00 0.00 N ATOM 1222 CA GLY A 89 -1.245 -15.514 -9.365 1.00 0.00 C ATOM 1223 C GLY A 89 -2.496 -15.090 -10.110 1.00 0.00 C ATOM 1224 O GLY A 89 -2.621 -15.325 -11.312 1.00 0.00 O ATOM 0 H GLY A 89 -1.170 -15.017 -7.331 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.484 -14.740 -9.469 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.844 -16.419 -9.821 1.00 0.00 H new ATOM 1228 N VAL A 90 -3.426 -14.466 -9.394 1.00 0.00 N ATOM 1229 CA VAL A 90 -4.674 -14.009 -9.993 1.00 0.00 C ATOM 1230 C VAL A 90 -5.004 -12.585 -9.559 1.00 0.00 C ATOM 1231 O VAL A 90 -5.491 -12.361 -8.451 1.00 0.00 O ATOM 1232 CB VAL A 90 -5.847 -14.933 -9.619 1.00 0.00 C ATOM 1233 CG1 VAL A 90 -7.124 -14.483 -10.314 1.00 0.00 C ATOM 1234 CG2 VAL A 90 -5.521 -16.378 -9.968 1.00 0.00 C ATOM 0 H VAL A 90 -3.338 -14.265 -8.398 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.533 -14.032 -11.074 1.00 0.00 H new ATOM 0 HB VAL A 90 -6.006 -14.871 -8.542 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -7.942 -15.148 -10.038 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.365 -13.465 -10.009 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.981 -14.514 -11.394 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.362 -17.016 -9.696 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -5.334 -16.460 -11.039 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.634 -16.694 -9.419 1.00 0.00 H new ATOM 1244 N ASP A 91 -4.734 -11.627 -10.438 1.00 0.00 N ATOM 1245 CA ASP A 91 -5.002 -10.224 -10.146 1.00 0.00 C ATOM 1246 C ASP A 91 -6.499 -9.982 -9.971 1.00 0.00 C ATOM 1247 O ASP A 91 -7.267 -10.064 -10.931 1.00 0.00 O ATOM 1248 CB ASP A 91 -4.457 -9.334 -11.264 1.00 0.00 C ATOM 1249 CG ASP A 91 -4.586 -7.858 -10.945 1.00 0.00 C ATOM 1250 OD1 ASP A 91 -3.899 -7.389 -10.014 1.00 0.00 O ATOM 1251 OD2 ASP A 91 -5.376 -7.171 -11.627 1.00 0.00 O ATOM 0 H ASP A 91 -4.330 -11.796 -11.359 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.499 -9.971 -9.213 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.408 -9.575 -11.437 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.991 -9.551 -12.189 1.00 0.00 H new ATOM 1256 N ILE A 92 -6.906 -9.686 -8.742 1.00 0.00 N ATOM 1257 CA ILE A 92 -8.310 -9.433 -8.443 1.00 0.00 C ATOM 1258 C ILE A 92 -8.906 -8.422 -9.416 1.00 0.00 C ATOM 1259 O ILE A 92 -8.206 -7.587 -9.990 1.00 0.00 O ATOM 1260 CB ILE A 92 -8.494 -8.914 -7.004 1.00 0.00 C ATOM 1261 CG1 ILE A 92 -7.537 -7.752 -6.732 1.00 0.00 C ATOM 1262 CG2 ILE A 92 -8.270 -10.037 -6.003 1.00 0.00 C ATOM 1263 CD1 ILE A 92 -7.402 -7.412 -5.264 1.00 0.00 C ATOM 0 H ILE A 92 -6.284 -9.615 -7.937 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.831 -10.385 -8.547 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.516 -8.552 -6.892 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.554 -8.001 -7.131 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.886 -6.871 -7.270 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.404 -9.654 -4.991 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.988 -10.836 -6.186 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.258 -10.426 -6.113 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.708 -6.580 -5.146 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.377 -7.132 -4.864 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.024 -8.279 -4.723 1.00 0.00 H new ATOM 1275 N PRO A 93 -10.231 -8.496 -9.608 1.00 0.00 N ATOM 1276 CA PRO A 93 -10.952 -7.593 -10.510 1.00 0.00 C ATOM 1277 C PRO A 93 -11.010 -6.166 -9.977 1.00 0.00 C ATOM 1278 O PRO A 93 -11.630 -5.293 -10.583 1.00 0.00 O ATOM 1279 CB PRO A 93 -12.357 -8.199 -10.570 1.00 0.00 C ATOM 1280 CG PRO A 93 -12.501 -8.949 -9.292 1.00 0.00 C ATOM 1281 CD PRO A 93 -11.129 -9.467 -8.958 1.00 0.00 C ATOM 0 HA PRO A 93 -10.465 -7.514 -11.482 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.118 -7.425 -10.662 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.467 -8.859 -11.431 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -12.877 -8.301 -8.500 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -13.212 -9.768 -9.398 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.966 -9.507 -7.881 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -10.976 -10.476 -9.342 1.00 0.00 H new ATOM 1289 N ASN A 94 -10.360 -5.936 -8.841 1.00 0.00 N ATOM 1290 CA ASN A 94 -10.338 -4.614 -8.227 1.00 0.00 C ATOM 1291 C ASN A 94 -8.981 -3.944 -8.427 1.00 0.00 C ATOM 1292 O ASN A 94 -8.798 -2.777 -8.082 1.00 0.00 O ATOM 1293 CB ASN A 94 -10.654 -4.717 -6.734 1.00 0.00 C ATOM 1294 CG ASN A 94 -12.143 -4.819 -6.464 1.00 0.00 C ATOM 1295 OD1 ASN A 94 -12.790 -3.834 -6.110 1.00 0.00 O ATOM 1296 ND2 ASN A 94 -12.693 -6.017 -6.630 1.00 0.00 N ATOM 0 H ASN A 94 -9.841 -6.648 -8.327 1.00 0.00 H new ATOM 0 HA ASN A 94 -11.100 -4.003 -8.711 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -10.151 -5.590 -6.318 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -10.253 -3.844 -6.219 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -13.691 -6.148 -6.463 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -12.118 -6.806 -6.925 1.00 0.00 H new ATOM 1303 N SER A 95 -8.035 -4.691 -8.984 1.00 0.00 N ATOM 1304 CA SER A 95 -6.694 -4.172 -9.227 1.00 0.00 C ATOM 1305 C SER A 95 -6.554 -3.677 -10.663 1.00 0.00 C ATOM 1306 O SER A 95 -7.105 -4.253 -11.602 1.00 0.00 O ATOM 1307 CB SER A 95 -5.647 -5.251 -8.943 1.00 0.00 C ATOM 1308 OG SER A 95 -4.447 -4.681 -8.453 1.00 0.00 O ATOM 0 H SER A 95 -8.172 -5.659 -9.276 1.00 0.00 H new ATOM 0 HA SER A 95 -6.530 -3.330 -8.554 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.040 -5.961 -8.215 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.441 -5.811 -9.855 1.00 0.00 H new ATOM 0 HG SER A 95 -4.648 -4.104 -7.687 1.00 0.00 H new ATOM 1314 N PRO A 96 -5.800 -2.582 -10.840 1.00 0.00 N ATOM 1315 CA PRO A 96 -5.141 -1.888 -9.730 1.00 0.00 C ATOM 1316 C PRO A 96 -6.134 -1.175 -8.820 1.00 0.00 C ATOM 1317 O PRO A 96 -7.337 -1.164 -9.084 1.00 0.00 O ATOM 1318 CB PRO A 96 -4.237 -0.871 -10.435 1.00 0.00 C ATOM 1319 CG PRO A 96 -4.890 -0.634 -11.752 1.00 0.00 C ATOM 1320 CD PRO A 96 -5.534 -1.937 -12.137 1.00 0.00 C ATOM 0 HA PRO A 96 -4.604 -2.578 -9.079 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.157 0.052 -9.861 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.226 -1.259 -10.558 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.632 0.162 -11.682 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.160 -0.324 -12.499 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.452 -1.780 -12.703 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.875 -2.543 -12.759 1.00 0.00 H new ATOM 1328 N PHE A 97 -5.625 -0.580 -7.746 1.00 0.00 N ATOM 1329 CA PHE A 97 -6.469 0.135 -6.796 1.00 0.00 C ATOM 1330 C PHE A 97 -6.195 1.636 -6.846 1.00 0.00 C ATOM 1331 O PHE A 97 -5.110 2.094 -6.487 1.00 0.00 O ATOM 1332 CB PHE A 97 -6.233 -0.390 -5.378 1.00 0.00 C ATOM 1333 CG PHE A 97 -7.037 -1.615 -5.051 1.00 0.00 C ATOM 1334 CD1 PHE A 97 -6.922 -2.761 -5.821 1.00 0.00 C ATOM 1335 CD2 PHE A 97 -7.909 -1.621 -3.974 1.00 0.00 C ATOM 1336 CE1 PHE A 97 -7.661 -3.890 -5.523 1.00 0.00 C ATOM 1337 CE2 PHE A 97 -8.650 -2.748 -3.670 1.00 0.00 C ATOM 1338 CZ PHE A 97 -8.526 -3.884 -4.447 1.00 0.00 C ATOM 0 H PHE A 97 -4.632 -0.579 -7.512 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.509 -0.036 -7.072 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.174 -0.617 -5.255 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.476 0.396 -4.663 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.247 -2.772 -6.664 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -8.011 -0.735 -3.365 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -7.562 -4.777 -6.132 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -9.325 -2.741 -2.827 1.00 0.00 H new ATOM 0 HZ PHE A 97 -9.105 -4.765 -4.213 1.00 0.00 H new ATOM 1348 N THR A 98 -7.187 2.397 -7.298 1.00 0.00 N ATOM 1349 CA THR A 98 -7.054 3.845 -7.399 1.00 0.00 C ATOM 1350 C THR A 98 -7.113 4.499 -6.023 1.00 0.00 C ATOM 1351 O THR A 98 -8.165 4.533 -5.385 1.00 0.00 O ATOM 1352 CB THR A 98 -8.156 4.449 -8.290 1.00 0.00 C ATOM 1353 OG1 THR A 98 -8.198 3.767 -9.547 1.00 0.00 O ATOM 1354 CG2 THR A 98 -7.912 5.933 -8.520 1.00 0.00 C ATOM 0 H THR A 98 -8.091 2.034 -7.600 1.00 0.00 H new ATOM 0 HA THR A 98 -6.082 4.043 -7.851 1.00 0.00 H new ATOM 0 HB THR A 98 -9.112 4.329 -7.780 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.902 4.156 -10.107 1.00 0.00 H new ATOM 0 HG21 THR A 98 -8.703 6.338 -9.152 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.910 6.454 -7.563 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.949 6.072 -9.011 1.00 0.00 H new ATOM 1362 N VAL A 99 -5.976 5.019 -5.572 1.00 0.00 N ATOM 1363 CA VAL A 99 -5.898 5.675 -4.271 1.00 0.00 C ATOM 1364 C VAL A 99 -5.368 7.098 -4.405 1.00 0.00 C ATOM 1365 O VAL A 99 -4.181 7.308 -4.655 1.00 0.00 O ATOM 1366 CB VAL A 99 -4.996 4.891 -3.300 1.00 0.00 C ATOM 1367 CG1 VAL A 99 -4.914 5.600 -1.957 1.00 0.00 C ATOM 1368 CG2 VAL A 99 -5.505 3.468 -3.131 1.00 0.00 C ATOM 0 H VAL A 99 -5.096 4.999 -6.088 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.911 5.704 -3.869 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.992 4.845 -3.721 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.272 5.031 -1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.499 6.598 -2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.912 5.679 -1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -4.855 2.929 -2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.519 3.489 -2.732 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.506 2.965 -4.098 1.00 0.00 H new ATOM 1378 N MET A 100 -6.254 8.073 -4.234 1.00 0.00 N ATOM 1379 CA MET A 100 -5.875 9.477 -4.333 1.00 0.00 C ATOM 1380 C MET A 100 -5.414 10.013 -2.981 1.00 0.00 C ATOM 1381 O MET A 100 -6.171 10.008 -2.011 1.00 0.00 O ATOM 1382 CB MET A 100 -7.049 10.310 -4.852 1.00 0.00 C ATOM 1383 CG MET A 100 -6.693 11.763 -5.117 1.00 0.00 C ATOM 1384 SD MET A 100 -7.870 12.578 -6.213 1.00 0.00 S ATOM 1385 CE MET A 100 -6.859 13.901 -6.873 1.00 0.00 C ATOM 0 H MET A 100 -7.240 7.916 -4.026 1.00 0.00 H new ATOM 0 HA MET A 100 -5.046 9.554 -5.036 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.422 9.862 -5.773 1.00 0.00 H new ATOM 0 HB3 MET A 100 -7.861 10.270 -4.126 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.651 12.301 -4.170 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.697 11.815 -5.557 1.00 0.00 H new ATOM 0 HE1 MET A 100 -7.449 14.496 -7.570 1.00 0.00 H new ATOM 0 HE2 MET A 100 -6.512 14.535 -6.057 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.000 13.478 -7.394 1.00 0.00 H new ATOM 1395 N ALA A 101 -4.169 10.474 -2.926 1.00 0.00 N ATOM 1396 CA ALA A 101 -3.609 11.014 -1.693 1.00 0.00 C ATOM 1397 C ALA A 101 -3.811 12.523 -1.615 1.00 0.00 C ATOM 1398 O ALA A 101 -3.391 13.265 -2.503 1.00 0.00 O ATOM 1399 CB ALA A 101 -2.130 10.671 -1.591 1.00 0.00 C ATOM 0 H ALA A 101 -3.529 10.484 -3.720 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.135 10.559 -0.853 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.725 11.080 -0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.007 9.588 -1.593 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.598 11.099 -2.441 1.00 0.00 H new ATOM 1405 N THR A 102 -4.457 12.974 -0.543 1.00 0.00 N ATOM 1406 CA THR A 102 -4.716 14.395 -0.349 1.00 0.00 C ATOM 1407 C THR A 102 -3.817 14.974 0.738 1.00 0.00 C ATOM 1408 O THR A 102 -3.608 14.352 1.780 1.00 0.00 O ATOM 1409 CB THR A 102 -6.188 14.651 0.027 1.00 0.00 C ATOM 1410 OG1 THR A 102 -6.560 13.828 1.137 1.00 0.00 O ATOM 1411 CG2 THR A 102 -7.105 14.366 -1.153 1.00 0.00 C ATOM 0 H THR A 102 -4.810 12.375 0.203 1.00 0.00 H new ATOM 0 HA THR A 102 -4.500 14.889 -1.296 1.00 0.00 H new ATOM 0 HB THR A 102 -6.293 15.700 0.303 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.496 13.998 1.371 1.00 0.00 H new ATOM 0 HG21 THR A 102 -8.139 14.554 -0.864 1.00 0.00 H new ATOM 0 HG22 THR A 102 -6.838 15.015 -1.987 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.996 13.324 -1.455 1.00 0.00 H new