USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 669 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 17 HIS : no HD1:sc= -0.0116 X(o=-0.012,f=-0.37) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -3.21! K(o=-3.2!,f=-2.3) USER MOD Single : A 57 GLN : amide:sc= -1.19 X(o=-1.2,f=-0.78!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.281 USER MOD Single : A 64 HIS : no HD1:sc= -1.79! C(o=-1.8!,f=-2.2!) USER MOD Single : A 72 THR OG1 : rot 88:sc= 0.88 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -0.491 K(o=-0.49,f=-1.6) USER MOD Single : A 81 LYS NZ :NH3+ 165:sc= 0.723 (180deg=0.563) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0317 USER MOD Single : A 83 MET CE :methyl -179:sc= -2.08 (180deg=-2.16) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.69 USER MOD Single : A 88 TYR OH : rot 30:sc= -0.357 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -2.941 6.734 -11.197 1.00 0.00 N ATOM 67 CA VAL A 8 -2.605 5.866 -10.074 1.00 0.00 C ATOM 68 C VAL A 8 -3.381 6.261 -8.823 1.00 0.00 C ATOM 69 O VAL A 8 -3.538 7.445 -8.522 1.00 0.00 O ATOM 70 CB VAL A 8 -1.097 5.909 -9.764 1.00 0.00 C ATOM 71 CG1 VAL A 8 -0.770 5.013 -8.579 1.00 0.00 C ATOM 72 CG2 VAL A 8 -0.290 5.503 -10.988 1.00 0.00 C ATOM 0 HA VAL A 8 -2.880 4.852 -10.364 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.827 6.932 -9.501 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.300 5.056 -8.375 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.321 5.354 -7.702 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.054 3.986 -8.810 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.773 5.539 -10.751 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.562 4.490 -11.283 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.502 6.189 -11.808 1.00 0.00 H new ATOM 82 N THR A 9 -3.867 5.260 -8.094 1.00 0.00 N ATOM 83 CA THR A 9 -4.628 5.502 -6.875 1.00 0.00 C ATOM 84 C THR A 9 -3.703 5.682 -5.677 1.00 0.00 C ATOM 85 O THR A 9 -2.821 4.859 -5.430 1.00 0.00 O ATOM 86 CB THR A 9 -5.606 4.348 -6.586 1.00 0.00 C ATOM 87 OG1 THR A 9 -6.456 4.131 -7.717 1.00 0.00 O ATOM 88 CG2 THR A 9 -6.453 4.651 -5.359 1.00 0.00 C ATOM 0 H THR A 9 -3.747 4.274 -8.327 1.00 0.00 H new ATOM 0 HA THR A 9 -5.196 6.419 -7.033 1.00 0.00 H new ATOM 0 HB THR A 9 -5.023 3.447 -6.392 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.074 3.395 -7.526 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.136 3.822 -5.175 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.804 4.786 -4.493 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.026 5.562 -5.529 1.00 0.00 H new ATOM 96 N THR A 10 -3.911 6.764 -4.932 1.00 0.00 N ATOM 97 CA THR A 10 -3.096 7.052 -3.759 1.00 0.00 C ATOM 98 C THR A 10 -3.912 6.925 -2.478 1.00 0.00 C ATOM 99 O THR A 10 -5.010 7.471 -2.373 1.00 0.00 O ATOM 100 CB THR A 10 -2.489 8.466 -3.830 1.00 0.00 C ATOM 101 OG1 THR A 10 -1.814 8.647 -5.080 1.00 0.00 O ATOM 102 CG2 THR A 10 -1.516 8.696 -2.684 1.00 0.00 C ATOM 0 H THR A 10 -4.637 7.455 -5.121 1.00 0.00 H new ATOM 0 HA THR A 10 -2.290 6.319 -3.747 1.00 0.00 H new ATOM 0 HB THR A 10 -3.300 9.190 -3.747 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.432 9.549 -5.118 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.100 9.701 -2.756 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.040 8.587 -1.734 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.709 7.965 -2.739 1.00 0.00 H new ATOM 110 N ALA A 11 -3.368 6.202 -1.504 1.00 0.00 N ATOM 111 CA ALA A 11 -4.045 6.006 -0.228 1.00 0.00 C ATOM 112 C ALA A 11 -3.110 6.300 0.940 1.00 0.00 C ATOM 113 O ALA A 11 -2.015 5.743 1.026 1.00 0.00 O ATOM 114 CB ALA A 11 -4.586 4.588 -0.130 1.00 0.00 C ATOM 0 H ALA A 11 -2.460 5.742 -1.575 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.879 6.705 -0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.089 4.456 0.828 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.295 4.412 -0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.763 3.878 -0.208 1.00 0.00 H new ATOM 120 N ILE A 12 -3.548 7.177 1.836 1.00 0.00 N ATOM 121 CA ILE A 12 -2.750 7.544 3.000 1.00 0.00 C ATOM 122 C ILE A 12 -3.301 6.903 4.269 1.00 0.00 C ATOM 123 O ILE A 12 -4.509 6.917 4.510 1.00 0.00 O ATOM 124 CB ILE A 12 -2.700 9.071 3.190 1.00 0.00 C ATOM 125 CG1 ILE A 12 -2.080 9.740 1.961 1.00 0.00 C ATOM 126 CG2 ILE A 12 -1.914 9.423 4.444 1.00 0.00 C ATOM 127 CD1 ILE A 12 -2.437 11.203 1.824 1.00 0.00 C ATOM 0 H ILE A 12 -4.451 7.647 1.779 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.740 7.176 2.819 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.718 9.441 3.307 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.996 9.642 2.013 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.405 9.210 1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.887 10.506 4.565 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.394 8.973 5.313 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.896 9.043 4.354 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.963 11.611 0.931 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.519 11.307 1.740 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.087 11.747 2.702 1.00 0.00 H new ATOM 139 N ILE A 13 -2.408 6.342 5.078 1.00 0.00 N ATOM 140 CA ILE A 13 -2.805 5.699 6.324 1.00 0.00 C ATOM 141 C ILE A 13 -2.311 6.487 7.532 1.00 0.00 C ATOM 142 O ILE A 13 -1.323 7.217 7.448 1.00 0.00 O ATOM 143 CB ILE A 13 -2.267 4.258 6.410 1.00 0.00 C ATOM 144 CG1 ILE A 13 -2.692 3.457 5.178 1.00 0.00 C ATOM 145 CG2 ILE A 13 -2.758 3.584 7.682 1.00 0.00 C ATOM 146 CD1 ILE A 13 -4.187 3.248 5.080 1.00 0.00 C ATOM 0 H ILE A 13 -1.405 6.320 4.893 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.895 5.673 6.332 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.178 4.294 6.439 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.346 3.972 4.282 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.198 2.486 5.198 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.369 2.567 7.728 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.409 4.145 8.549 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.848 3.556 7.682 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.416 2.673 4.183 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.537 2.705 5.958 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.687 4.215 5.028 1.00 0.00 H new ATOM 158 N HIS A 14 -3.003 6.334 8.656 1.00 0.00 N ATOM 159 CA HIS A 14 -2.633 7.030 9.883 1.00 0.00 C ATOM 160 C HIS A 14 -2.032 6.062 10.897 1.00 0.00 C ATOM 161 O HIS A 14 -2.754 5.339 11.584 1.00 0.00 O ATOM 162 CB HIS A 14 -3.853 7.726 10.487 1.00 0.00 C ATOM 163 CG HIS A 14 -4.054 9.124 9.987 1.00 0.00 C ATOM 164 ND1 HIS A 14 -3.789 9.503 8.688 1.00 0.00 N ATOM 165 CD2 HIS A 14 -4.499 10.235 10.619 1.00 0.00 C ATOM 166 CE1 HIS A 14 -4.061 10.788 8.543 1.00 0.00 C ATOM 167 NE2 HIS A 14 -4.493 11.256 9.700 1.00 0.00 N ATOM 0 H HIS A 14 -3.823 5.734 8.743 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.882 7.780 9.634 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.743 7.138 10.265 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.748 7.748 11.572 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.802 10.306 11.653 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.949 11.359 7.633 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -4.776 12.219 9.882 1.00 0.00 H new ATOM 175 N ARG A 15 -0.706 6.052 10.984 1.00 0.00 N ATOM 176 CA ARG A 15 -0.007 5.171 11.912 1.00 0.00 C ATOM 177 C ARG A 15 0.648 5.972 13.033 1.00 0.00 C ATOM 178 O ARG A 15 1.847 6.250 13.012 1.00 0.00 O ATOM 179 CB ARG A 15 1.050 4.350 11.172 1.00 0.00 C ATOM 180 CG ARG A 15 0.502 3.087 10.529 1.00 0.00 C ATOM 181 CD ARG A 15 1.603 2.073 10.264 1.00 0.00 C ATOM 182 NE ARG A 15 1.850 1.218 11.423 1.00 0.00 N ATOM 183 CZ ARG A 15 2.511 0.068 11.360 1.00 0.00 C ATOM 184 NH1 ARG A 15 2.989 -0.363 10.200 1.00 0.00 N ATOM 185 NH2 ARG A 15 2.696 -0.654 12.458 1.00 0.00 N ATOM 0 H ARG A 15 -0.094 6.644 10.423 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.739 4.494 12.352 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.506 4.971 10.401 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.841 4.078 11.871 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.253 2.644 11.179 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.006 3.340 9.592 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.328 1.455 9.409 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.521 2.596 9.997 1.00 0.00 H new ATOM 0 HE ARG A 15 1.495 1.521 12.330 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.849 0.189 9.354 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.496 -1.247 10.154 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.330 -0.326 13.352 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.204 -1.537 12.408 1.00 0.00 H new ATOM 199 N PRO A 16 -0.157 6.352 14.037 1.00 0.00 N ATOM 200 CA PRO A 16 0.322 7.126 15.186 1.00 0.00 C ATOM 201 C PRO A 16 1.234 6.310 16.096 1.00 0.00 C ATOM 202 O PRO A 16 1.910 6.857 16.967 1.00 0.00 O ATOM 203 CB PRO A 16 -0.966 7.506 15.920 1.00 0.00 C ATOM 204 CG PRO A 16 -1.946 6.452 15.536 1.00 0.00 C ATOM 205 CD PRO A 16 -1.596 6.056 14.128 1.00 0.00 C ATOM 0 HA PRO A 16 0.922 7.983 14.878 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.814 7.531 16.999 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.313 8.496 15.624 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.884 5.597 16.209 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.967 6.829 15.593 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.801 5.001 13.945 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.170 6.625 13.396 1.00 0.00 H new ATOM 213 N HIS A 17 1.248 4.997 15.887 1.00 0.00 N ATOM 214 CA HIS A 17 2.078 4.104 16.689 1.00 0.00 C ATOM 215 C HIS A 17 2.476 2.868 15.888 1.00 0.00 C ATOM 216 O HIS A 17 1.701 2.368 15.074 1.00 0.00 O ATOM 217 CB HIS A 17 1.335 3.687 17.959 1.00 0.00 C ATOM 218 CG HIS A 17 2.238 3.460 19.132 1.00 0.00 C ATOM 219 ND1 HIS A 17 2.957 2.297 19.315 1.00 0.00 N ATOM 220 CD2 HIS A 17 2.537 4.255 20.186 1.00 0.00 C ATOM 221 CE1 HIS A 17 3.658 2.387 20.431 1.00 0.00 C ATOM 222 NE2 HIS A 17 3.421 3.565 20.979 1.00 0.00 N ATOM 0 H HIS A 17 0.695 4.528 15.170 1.00 0.00 H new ATOM 0 HA HIS A 17 2.984 4.642 16.968 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.607 4.457 18.214 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.775 2.773 17.759 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.152 5.247 20.369 1.00 0.00 H new ATOM 0 HE1 HIS A 17 4.314 1.626 20.828 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.828 3.907 21.850 1.00 0.00 H new ATOM 230 N ALA A 18 3.689 2.381 16.126 1.00 0.00 N ATOM 231 CA ALA A 18 4.190 1.203 15.428 1.00 0.00 C ATOM 232 C ALA A 18 3.590 -0.074 16.008 1.00 0.00 C ATOM 233 O ALA A 18 2.927 -0.835 15.303 1.00 0.00 O ATOM 234 CB ALA A 18 5.709 1.154 15.498 1.00 0.00 C ATOM 0 H ALA A 18 4.343 2.784 16.797 1.00 0.00 H new ATOM 0 HA ALA A 18 3.888 1.274 14.383 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.069 0.269 14.973 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.124 2.047 15.031 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.024 1.110 16.541 1.00 0.00 H new ATOM 240 N ARG A 19 3.829 -0.303 17.295 1.00 0.00 N ATOM 241 CA ARG A 19 3.314 -1.489 17.969 1.00 0.00 C ATOM 242 C ARG A 19 1.948 -1.880 17.413 1.00 0.00 C ATOM 243 O ARG A 19 1.604 -3.060 17.357 1.00 0.00 O ATOM 244 CB ARG A 19 3.213 -1.243 19.475 1.00 0.00 C ATOM 245 CG ARG A 19 4.548 -0.937 20.133 1.00 0.00 C ATOM 246 CD ARG A 19 5.414 -2.183 20.243 1.00 0.00 C ATOM 247 NE ARG A 19 4.806 -3.198 21.099 1.00 0.00 N ATOM 248 CZ ARG A 19 5.414 -4.327 21.446 1.00 0.00 C ATOM 249 NH1 ARG A 19 6.640 -4.584 21.011 1.00 0.00 N ATOM 250 NH2 ARG A 19 4.796 -5.202 22.229 1.00 0.00 N ATOM 0 H ARG A 19 4.376 0.317 17.892 1.00 0.00 H new ATOM 0 HA ARG A 19 4.009 -2.309 17.788 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.531 -0.412 19.654 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.777 -2.122 19.950 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.074 -0.177 19.555 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.378 -0.522 21.126 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.579 -2.599 19.249 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.392 -1.911 20.641 1.00 0.00 H new ATOM 0 HE ARG A 19 3.863 -3.031 21.450 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.118 -3.914 20.409 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.105 -5.452 21.279 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.853 -5.008 22.565 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.264 -6.068 22.495 1.00 0.00 H new ATOM 264 N GLU A 20 1.173 -0.880 17.005 1.00 0.00 N ATOM 265 CA GLU A 20 -0.156 -1.119 16.455 1.00 0.00 C ATOM 266 C GLU A 20 -0.073 -1.530 14.988 1.00 0.00 C ATOM 267 O GLU A 20 0.619 -0.893 14.194 1.00 0.00 O ATOM 268 CB GLU A 20 -1.025 0.132 16.597 1.00 0.00 C ATOM 269 CG GLU A 20 -1.057 0.693 18.009 1.00 0.00 C ATOM 270 CD GLU A 20 -2.048 -0.029 18.901 1.00 0.00 C ATOM 271 OE1 GLU A 20 -3.267 0.163 18.713 1.00 0.00 O ATOM 272 OE2 GLU A 20 -1.603 -0.788 19.788 1.00 0.00 O ATOM 0 H GLU A 20 1.443 0.103 17.045 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.611 -1.934 17.017 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.655 0.900 15.918 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.042 -0.105 16.286 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.061 0.622 18.447 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.313 1.752 17.970 1.00 0.00 H new ATOM 279 N GLN A 21 -0.781 -2.598 14.637 1.00 0.00 N ATOM 280 CA GLN A 21 -0.786 -3.094 13.266 1.00 0.00 C ATOM 281 C GLN A 21 -1.467 -2.100 12.330 1.00 0.00 C ATOM 282 O GLN A 21 -1.840 -1.001 12.740 1.00 0.00 O ATOM 283 CB GLN A 21 -1.494 -4.448 13.193 1.00 0.00 C ATOM 284 CG GLN A 21 -2.910 -4.424 13.746 1.00 0.00 C ATOM 285 CD GLN A 21 -3.402 -5.800 14.149 1.00 0.00 C ATOM 286 OE1 GLN A 21 -4.169 -6.436 13.424 1.00 0.00 O ATOM 287 NE2 GLN A 21 -2.964 -6.269 15.312 1.00 0.00 N ATOM 0 H GLN A 21 -1.359 -3.137 15.283 1.00 0.00 H new ATOM 0 HA GLN A 21 0.249 -3.216 12.947 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.524 -4.778 12.154 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -0.910 -5.185 13.745 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.947 -3.761 14.611 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.582 -4.007 12.996 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.329 -5.709 15.881 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.262 -7.189 15.636 1.00 0.00 H new ATOM 296 N LEU A 22 -1.625 -2.494 11.071 1.00 0.00 N ATOM 297 CA LEU A 22 -2.260 -1.638 10.075 1.00 0.00 C ATOM 298 C LEU A 22 -3.680 -2.110 9.778 1.00 0.00 C ATOM 299 O LEU A 22 -4.602 -1.303 9.663 1.00 0.00 O ATOM 300 CB LEU A 22 -1.436 -1.622 8.787 1.00 0.00 C ATOM 301 CG LEU A 22 -0.353 -0.546 8.697 1.00 0.00 C ATOM 302 CD1 LEU A 22 0.769 -0.994 7.774 1.00 0.00 C ATOM 303 CD2 LEU A 22 -0.948 0.770 8.217 1.00 0.00 C ATOM 0 H LEU A 22 -1.322 -3.401 10.716 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.310 -0.627 10.479 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.962 -2.597 8.670 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.117 -1.495 7.945 1.00 0.00 H new ATOM 0 HG LEU A 22 0.063 -0.392 9.693 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.530 -0.216 7.722 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.213 -1.911 8.160 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.369 -1.177 6.777 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.163 1.524 8.159 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.391 0.631 7.231 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.716 1.099 8.917 1.00 0.00 H new ATOM 315 N GLY A 23 -3.849 -3.423 9.657 1.00 0.00 N ATOM 316 CA GLY A 23 -5.159 -3.980 9.376 1.00 0.00 C ATOM 317 C GLY A 23 -5.209 -4.702 8.044 1.00 0.00 C ATOM 318 O GLY A 23 -5.814 -5.769 7.930 1.00 0.00 O ATOM 0 H GLY A 23 -3.102 -4.111 9.749 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.434 -4.672 10.172 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.899 -3.180 9.380 1.00 0.00 H new ATOM 322 N PHE A 24 -4.574 -4.120 7.033 1.00 0.00 N ATOM 323 CA PHE A 24 -4.551 -4.713 5.701 1.00 0.00 C ATOM 324 C PHE A 24 -3.390 -5.694 5.563 1.00 0.00 C ATOM 325 O PHE A 24 -2.263 -5.399 5.960 1.00 0.00 O ATOM 326 CB PHE A 24 -4.439 -3.621 4.635 1.00 0.00 C ATOM 327 CG PHE A 24 -3.100 -2.943 4.609 1.00 0.00 C ATOM 328 CD1 PHE A 24 -2.822 -1.895 5.472 1.00 0.00 C ATOM 329 CD2 PHE A 24 -2.117 -3.353 3.722 1.00 0.00 C ATOM 330 CE1 PHE A 24 -1.590 -1.269 5.449 1.00 0.00 C ATOM 331 CE2 PHE A 24 -0.884 -2.731 3.695 1.00 0.00 C ATOM 332 CZ PHE A 24 -0.619 -1.688 4.561 1.00 0.00 C ATOM 0 H PHE A 24 -4.068 -3.238 7.110 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.484 -5.258 5.557 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.634 -4.059 3.656 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.212 -2.873 4.810 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.576 -1.564 6.170 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.318 -4.169 3.044 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.387 -0.452 6.126 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.128 -3.060 2.997 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.345 -1.201 4.544 1.00 0.00 H new ATOM 342 N CYS A 25 -3.675 -6.862 4.998 1.00 0.00 N ATOM 343 CA CYS A 25 -2.656 -7.889 4.809 1.00 0.00 C ATOM 344 C CYS A 25 -2.171 -7.913 3.363 1.00 0.00 C ATOM 345 O CYS A 25 -2.970 -7.995 2.430 1.00 0.00 O ATOM 346 CB CYS A 25 -3.207 -9.262 5.197 1.00 0.00 C ATOM 347 SG CYS A 25 -3.479 -9.472 6.972 1.00 0.00 S ATOM 0 H CYS A 25 -4.603 -7.122 4.663 1.00 0.00 H new ATOM 0 HA CYS A 25 -1.810 -7.650 5.454 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.149 -9.425 4.674 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -2.515 -10.030 4.853 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.948 -10.663 7.201 1.00 0.00 H new ATOM 353 N VAL A 26 -0.856 -7.838 3.184 1.00 0.00 N ATOM 354 CA VAL A 26 -0.264 -7.850 1.852 1.00 0.00 C ATOM 355 C VAL A 26 0.365 -9.204 1.543 1.00 0.00 C ATOM 356 O VAL A 26 1.156 -9.726 2.328 1.00 0.00 O ATOM 357 CB VAL A 26 0.808 -6.754 1.704 1.00 0.00 C ATOM 358 CG1 VAL A 26 1.436 -6.804 0.319 1.00 0.00 C ATOM 359 CG2 VAL A 26 0.207 -5.383 1.977 1.00 0.00 C ATOM 0 H VAL A 26 -0.180 -7.768 3.945 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.071 -7.657 1.145 1.00 0.00 H new ATOM 0 HB VAL A 26 1.593 -6.935 2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.191 -6.022 0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.902 -7.777 0.166 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.665 -6.648 -0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.978 -4.620 1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.597 -5.190 1.267 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.190 -5.355 2.992 1.00 0.00 H new ATOM 369 N GLU A 27 0.007 -9.768 0.393 1.00 0.00 N ATOM 370 CA GLU A 27 0.537 -11.062 -0.020 1.00 0.00 C ATOM 371 C GLU A 27 1.168 -10.975 -1.407 1.00 0.00 C ATOM 372 O GLU A 27 0.467 -10.941 -2.418 1.00 0.00 O ATOM 373 CB GLU A 27 -0.573 -12.116 -0.019 1.00 0.00 C ATOM 374 CG GLU A 27 -1.050 -12.496 1.373 1.00 0.00 C ATOM 375 CD GLU A 27 -2.030 -13.652 1.359 1.00 0.00 C ATOM 376 OE1 GLU A 27 -2.751 -13.807 0.351 1.00 0.00 O ATOM 377 OE2 GLU A 27 -2.075 -14.404 2.356 1.00 0.00 O ATOM 0 H GLU A 27 -0.647 -9.349 -0.268 1.00 0.00 H new ATOM 0 HA GLU A 27 1.308 -11.354 0.693 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.419 -11.741 -0.594 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.214 -13.011 -0.528 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.190 -12.761 1.988 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.521 -11.631 1.840 1.00 0.00 H new ATOM 384 N ASP A 28 2.495 -10.937 -1.444 1.00 0.00 N ATOM 385 CA ASP A 28 3.222 -10.854 -2.706 1.00 0.00 C ATOM 386 C ASP A 28 3.118 -9.454 -3.302 1.00 0.00 C ATOM 387 O ASP A 28 3.026 -9.291 -4.518 1.00 0.00 O ATOM 388 CB ASP A 28 2.684 -11.886 -3.698 1.00 0.00 C ATOM 389 CG ASP A 28 3.747 -12.368 -4.666 1.00 0.00 C ATOM 390 OD1 ASP A 28 4.283 -11.531 -5.422 1.00 0.00 O ATOM 391 OD2 ASP A 28 4.041 -13.581 -4.668 1.00 0.00 O ATOM 0 H ASP A 28 3.089 -10.962 -0.615 1.00 0.00 H new ATOM 0 HA ASP A 28 4.272 -11.067 -2.507 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.283 -12.738 -3.149 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.857 -11.450 -4.259 1.00 0.00 H new ATOM 396 N GLY A 29 3.133 -8.445 -2.436 1.00 0.00 N ATOM 397 CA GLY A 29 3.038 -7.072 -2.895 1.00 0.00 C ATOM 398 C GLY A 29 1.636 -6.705 -3.341 1.00 0.00 C ATOM 399 O GLY A 29 1.443 -5.720 -4.054 1.00 0.00 O ATOM 0 H GLY A 29 3.209 -8.554 -1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.348 -6.402 -2.093 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.731 -6.920 -3.723 1.00 0.00 H new ATOM 403 N ILE A 30 0.657 -7.499 -2.921 1.00 0.00 N ATOM 404 CA ILE A 30 -0.733 -7.252 -3.282 1.00 0.00 C ATOM 405 C ILE A 30 -1.662 -7.512 -2.101 1.00 0.00 C ATOM 406 O ILE A 30 -1.720 -8.625 -1.577 1.00 0.00 O ATOM 407 CB ILE A 30 -1.172 -8.132 -4.468 1.00 0.00 C ATOM 408 CG1 ILE A 30 -0.236 -7.920 -5.661 1.00 0.00 C ATOM 409 CG2 ILE A 30 -2.610 -7.821 -4.855 1.00 0.00 C ATOM 410 CD1 ILE A 30 -0.253 -9.063 -6.651 1.00 0.00 C ATOM 0 H ILE A 30 0.801 -8.318 -2.331 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.802 -6.204 -3.572 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.116 -9.178 -4.166 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.517 -7.001 -6.175 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.781 -7.782 -5.295 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.905 -8.451 -5.694 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.266 -8.016 -4.006 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.691 -6.773 -5.142 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.433 -8.845 -7.470 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.057 -9.981 -6.152 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.261 -9.188 -7.046 1.00 0.00 H new ATOM 422 N ILE A 31 -2.389 -6.479 -1.688 1.00 0.00 N ATOM 423 CA ILE A 31 -3.317 -6.596 -0.571 1.00 0.00 C ATOM 424 C ILE A 31 -4.411 -7.615 -0.870 1.00 0.00 C ATOM 425 O ILE A 31 -4.936 -7.669 -1.983 1.00 0.00 O ATOM 426 CB ILE A 31 -3.970 -5.242 -0.237 1.00 0.00 C ATOM 427 CG1 ILE A 31 -2.896 -4.181 0.015 1.00 0.00 C ATOM 428 CG2 ILE A 31 -4.883 -5.377 0.972 1.00 0.00 C ATOM 429 CD1 ILE A 31 -3.354 -2.772 -0.291 1.00 0.00 C ATOM 0 H ILE A 31 -2.353 -5.551 -2.111 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.736 -6.931 0.288 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.573 -4.927 -1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.582 -4.234 1.058 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.021 -4.410 -0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.337 -4.411 1.195 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.666 -6.105 0.757 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.302 -5.712 1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.542 -2.074 -0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.640 -2.702 -1.340 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.210 -2.524 0.336 1.00 0.00 H new ATOM 441 N CYS A 32 -4.752 -8.420 0.130 1.00 0.00 N ATOM 442 CA CYS A 32 -5.785 -9.438 -0.025 1.00 0.00 C ATOM 443 C CYS A 32 -6.980 -9.142 0.876 1.00 0.00 C ATOM 444 O CYS A 32 -8.083 -8.882 0.396 1.00 0.00 O ATOM 445 CB CYS A 32 -5.219 -10.822 0.295 1.00 0.00 C ATOM 446 SG CYS A 32 -6.278 -12.191 -0.228 1.00 0.00 S ATOM 0 H CYS A 32 -4.328 -8.388 1.057 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.122 -9.423 -1.061 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.246 -10.925 -0.186 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.053 -10.895 1.370 1.00 0.00 H new ATOM 0 HG CYS A 32 -5.714 -13.320 0.084 1.00 0.00 H new ATOM 452 N SER A 33 -6.752 -9.185 2.185 1.00 0.00 N ATOM 453 CA SER A 33 -7.810 -8.927 3.154 1.00 0.00 C ATOM 454 C SER A 33 -7.558 -7.619 3.898 1.00 0.00 C ATOM 455 O SER A 33 -6.424 -7.146 3.979 1.00 0.00 O ATOM 456 CB SER A 33 -7.911 -10.083 4.150 1.00 0.00 C ATOM 457 OG SER A 33 -9.079 -9.970 4.946 1.00 0.00 O ATOM 0 H SER A 33 -5.844 -9.396 2.599 1.00 0.00 H new ATOM 0 HA SER A 33 -8.752 -8.841 2.612 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.924 -11.031 3.612 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.030 -10.093 4.791 1.00 0.00 H new ATOM 0 HG SER A 33 -9.121 -10.722 5.573 1.00 0.00 H new ATOM 463 N LEU A 34 -8.624 -7.040 4.441 1.00 0.00 N ATOM 464 CA LEU A 34 -8.520 -5.787 5.180 1.00 0.00 C ATOM 465 C LEU A 34 -9.198 -5.899 6.541 1.00 0.00 C ATOM 466 O LEU A 34 -10.328 -6.380 6.647 1.00 0.00 O ATOM 467 CB LEU A 34 -9.147 -4.646 4.378 1.00 0.00 C ATOM 468 CG LEU A 34 -8.550 -3.257 4.606 1.00 0.00 C ATOM 469 CD1 LEU A 34 -8.984 -2.301 3.505 1.00 0.00 C ATOM 470 CD2 LEU A 34 -8.955 -2.720 5.971 1.00 0.00 C ATOM 0 H LEU A 34 -9.569 -7.418 4.383 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.463 -5.574 5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.064 -4.886 3.318 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.211 -4.605 4.613 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.464 -3.341 4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.549 -1.318 3.685 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.643 -2.678 2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.071 -2.222 3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.521 -1.731 6.116 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.041 -2.652 6.027 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.593 -3.393 6.749 1.00 0.00 H new ATOM 482 N LEU A 35 -8.504 -5.451 7.581 1.00 0.00 N ATOM 483 CA LEU A 35 -9.040 -5.499 8.937 1.00 0.00 C ATOM 484 C LEU A 35 -10.203 -4.525 9.098 1.00 0.00 C ATOM 485 O LEU A 35 -10.109 -3.361 8.709 1.00 0.00 O ATOM 486 CB LEU A 35 -7.943 -5.173 9.952 1.00 0.00 C ATOM 487 CG LEU A 35 -8.330 -5.309 11.425 1.00 0.00 C ATOM 488 CD1 LEU A 35 -8.077 -6.727 11.915 1.00 0.00 C ATOM 489 CD2 LEU A 35 -7.562 -4.306 12.273 1.00 0.00 C ATOM 0 H LEU A 35 -7.569 -5.050 7.511 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.408 -6.509 9.120 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.092 -5.826 9.759 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.607 -4.151 9.778 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.395 -5.097 11.522 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.358 -6.805 12.965 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.672 -7.427 11.327 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.020 -6.967 11.804 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.850 -4.417 13.318 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.492 -4.487 12.170 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.793 -3.295 11.939 1.00 0.00 H new ATOM 501 N ARG A 36 -11.298 -5.009 9.676 1.00 0.00 N ATOM 502 CA ARG A 36 -12.479 -4.181 9.889 1.00 0.00 C ATOM 503 C ARG A 36 -12.290 -3.266 11.095 1.00 0.00 C ATOM 504 O ARG A 36 -11.590 -3.611 12.046 1.00 0.00 O ATOM 505 CB ARG A 36 -13.714 -5.060 10.091 1.00 0.00 C ATOM 506 CG ARG A 36 -15.025 -4.293 10.022 1.00 0.00 C ATOM 507 CD ARG A 36 -16.204 -5.170 10.412 1.00 0.00 C ATOM 508 NE ARG A 36 -16.076 -5.689 11.771 1.00 0.00 N ATOM 509 CZ ARG A 36 -15.415 -6.801 12.074 1.00 0.00 C ATOM 510 NH1 ARG A 36 -14.825 -7.506 11.119 1.00 0.00 N ATOM 511 NH2 ARG A 36 -15.342 -7.208 13.335 1.00 0.00 N ATOM 0 H ARG A 36 -11.392 -5.970 10.005 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.623 -3.562 9.004 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -13.720 -5.843 9.333 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.643 -5.555 11.060 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.978 -3.429 10.685 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -15.172 -3.912 9.011 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -17.126 -4.595 10.329 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -16.283 -6.002 9.712 1.00 0.00 H new ATOM 0 HE ARG A 36 -16.518 -5.169 12.529 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.878 -7.195 10.149 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.318 -8.359 11.354 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.794 -6.667 14.072 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.834 -8.062 13.567 1.00 0.00 H new ATOM 525 N GLY A 37 -12.920 -2.096 11.048 1.00 0.00 N ATOM 526 CA GLY A 37 -12.809 -1.148 12.142 1.00 0.00 C ATOM 527 C GLY A 37 -11.368 -0.865 12.519 1.00 0.00 C ATOM 528 O GLY A 37 -11.041 -0.739 13.698 1.00 0.00 O ATOM 0 H GLY A 37 -13.505 -1.788 10.272 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.298 -0.215 11.862 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.339 -1.537 13.011 1.00 0.00 H new ATOM 532 N GLY A 38 -10.503 -0.767 11.514 1.00 0.00 N ATOM 533 CA GLY A 38 -9.099 -0.499 11.767 1.00 0.00 C ATOM 534 C GLY A 38 -8.654 0.838 11.209 1.00 0.00 C ATOM 535 O GLY A 38 -9.426 1.798 11.190 1.00 0.00 O ATOM 0 H GLY A 38 -10.749 -0.868 10.529 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.916 -0.520 12.841 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.496 -1.292 11.326 1.00 0.00 H new ATOM 539 N ILE A 39 -7.407 0.903 10.756 1.00 0.00 N ATOM 540 CA ILE A 39 -6.861 2.132 10.196 1.00 0.00 C ATOM 541 C ILE A 39 -6.974 2.142 8.675 1.00 0.00 C ATOM 542 O ILE A 39 -7.351 3.149 8.077 1.00 0.00 O ATOM 543 CB ILE A 39 -5.384 2.324 10.590 1.00 0.00 C ATOM 544 CG1 ILE A 39 -5.157 1.871 12.034 1.00 0.00 C ATOM 545 CG2 ILE A 39 -4.973 3.778 10.414 1.00 0.00 C ATOM 546 CD1 ILE A 39 -3.703 1.885 12.450 1.00 0.00 C ATOM 0 H ILE A 39 -6.756 0.118 10.766 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.448 2.953 10.607 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.765 1.711 9.935 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.724 2.518 12.703 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.552 0.862 12.156 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.927 3.897 10.696 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.103 4.069 9.372 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.594 4.411 11.048 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.617 1.552 13.485 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.134 1.215 11.805 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.309 2.897 12.360 1.00 0.00 H new ATOM 558 N ALA A 40 -6.647 1.013 8.056 1.00 0.00 N ATOM 559 CA ALA A 40 -6.716 0.889 6.605 1.00 0.00 C ATOM 560 C ALA A 40 -8.061 1.376 6.076 1.00 0.00 C ATOM 561 O ALA A 40 -8.130 2.369 5.352 1.00 0.00 O ATOM 562 CB ALA A 40 -6.473 -0.553 6.185 1.00 0.00 C ATOM 0 H ALA A 40 -6.331 0.170 8.537 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.936 1.517 6.175 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.528 -0.630 5.099 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.486 -0.869 6.522 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.231 -1.195 6.633 1.00 0.00 H new ATOM 568 N GLU A 41 -9.126 0.670 6.441 1.00 0.00 N ATOM 569 CA GLU A 41 -10.469 1.031 6.001 1.00 0.00 C ATOM 570 C GLU A 41 -10.654 2.546 6.006 1.00 0.00 C ATOM 571 O GLU A 41 -11.097 3.131 5.018 1.00 0.00 O ATOM 572 CB GLU A 41 -11.518 0.375 6.901 1.00 0.00 C ATOM 573 CG GLU A 41 -12.935 0.483 6.362 1.00 0.00 C ATOM 574 CD GLU A 41 -13.980 0.470 7.461 1.00 0.00 C ATOM 575 OE1 GLU A 41 -13.791 1.184 8.468 1.00 0.00 O ATOM 576 OE2 GLU A 41 -14.986 -0.255 7.314 1.00 0.00 O ATOM 0 H GLU A 41 -9.085 -0.155 7.040 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.599 0.670 4.981 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.267 -0.678 7.030 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.477 0.836 7.888 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.031 1.403 5.785 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -13.123 -0.344 5.677 1.00 0.00 H new ATOM 583 N ARG A 42 -10.313 3.174 7.127 1.00 0.00 N ATOM 584 CA ARG A 42 -10.443 4.620 7.262 1.00 0.00 C ATOM 585 C ARG A 42 -9.568 5.342 6.243 1.00 0.00 C ATOM 586 O ARG A 42 -9.968 6.356 5.673 1.00 0.00 O ATOM 587 CB ARG A 42 -10.064 5.057 8.678 1.00 0.00 C ATOM 588 CG ARG A 42 -11.226 5.027 9.657 1.00 0.00 C ATOM 589 CD ARG A 42 -10.748 4.794 11.082 1.00 0.00 C ATOM 590 NE ARG A 42 -11.703 5.293 12.068 1.00 0.00 N ATOM 591 CZ ARG A 42 -12.022 6.576 12.199 1.00 0.00 C ATOM 592 NH1 ARG A 42 -11.465 7.484 11.410 1.00 0.00 N ATOM 593 NH2 ARG A 42 -12.900 6.952 13.120 1.00 0.00 N ATOM 0 H ARG A 42 -9.945 2.704 7.954 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.483 4.886 7.074 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.271 4.408 9.049 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.658 6.068 8.641 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.772 5.969 9.605 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.923 4.239 9.372 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.587 3.728 11.241 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.787 5.287 11.227 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.150 4.619 12.690 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.790 7.198 10.701 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.711 8.469 11.512 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.331 6.256 13.728 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.144 7.937 13.220 1.00 0.00 H new ATOM 607 N GLY A 43 -8.369 4.812 6.019 1.00 0.00 N ATOM 608 CA GLY A 43 -7.455 5.420 5.069 1.00 0.00 C ATOM 609 C GLY A 43 -7.972 5.357 3.646 1.00 0.00 C ATOM 610 O GLY A 43 -7.960 6.357 2.929 1.00 0.00 O ATOM 0 H GLY A 43 -8.015 3.973 6.478 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.288 6.461 5.346 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.490 4.916 5.124 1.00 0.00 H new ATOM 614 N GLY A 44 -8.425 4.177 3.234 1.00 0.00 N ATOM 615 CA GLY A 44 -8.940 4.009 1.887 1.00 0.00 C ATOM 616 C GLY A 44 -8.325 2.821 1.175 1.00 0.00 C ATOM 617 O GLY A 44 -8.535 2.631 -0.024 1.00 0.00 O ATOM 0 H GLY A 44 -8.445 3.334 3.809 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.022 3.884 1.928 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.746 4.914 1.312 1.00 0.00 H new ATOM 621 N ILE A 45 -7.563 2.021 1.913 1.00 0.00 N ATOM 622 CA ILE A 45 -6.916 0.845 1.343 1.00 0.00 C ATOM 623 C ILE A 45 -7.937 -0.090 0.705 1.00 0.00 C ATOM 624 O ILE A 45 -8.966 -0.404 1.304 1.00 0.00 O ATOM 625 CB ILE A 45 -6.121 0.069 2.410 1.00 0.00 C ATOM 626 CG1 ILE A 45 -5.066 0.974 3.050 1.00 0.00 C ATOM 627 CG2 ILE A 45 -5.469 -1.160 1.794 1.00 0.00 C ATOM 628 CD1 ILE A 45 -3.885 1.257 2.148 1.00 0.00 C ATOM 0 H ILE A 45 -7.378 2.165 2.906 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.228 1.203 0.577 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.810 -0.260 3.188 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.532 1.918 3.332 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.708 0.508 3.968 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.911 -1.698 2.560 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.239 -1.812 1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.790 -0.852 0.999 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.178 1.904 2.667 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.394 0.320 1.886 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.231 1.751 1.240 1.00 0.00 H new ATOM 640 N ARG A 46 -7.644 -0.534 -0.513 1.00 0.00 N ATOM 641 CA ARG A 46 -8.536 -1.435 -1.232 1.00 0.00 C ATOM 642 C ARG A 46 -7.797 -2.694 -1.675 1.00 0.00 C ATOM 643 O ARG A 46 -6.865 -2.630 -2.477 1.00 0.00 O ATOM 644 CB ARG A 46 -9.136 -0.728 -2.450 1.00 0.00 C ATOM 645 CG ARG A 46 -10.435 0.001 -2.152 1.00 0.00 C ATOM 646 CD ARG A 46 -11.630 -0.937 -2.222 1.00 0.00 C ATOM 647 NE ARG A 46 -12.019 -1.225 -3.600 1.00 0.00 N ATOM 648 CZ ARG A 46 -12.944 -2.120 -3.931 1.00 0.00 C ATOM 649 NH1 ARG A 46 -13.572 -2.808 -2.988 1.00 0.00 N ATOM 650 NH2 ARG A 46 -13.242 -2.326 -5.207 1.00 0.00 N ATOM 0 H ARG A 46 -6.796 -0.284 -1.022 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.340 -1.726 -0.556 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.410 -0.014 -2.840 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.314 -1.463 -3.235 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.382 0.451 -1.160 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.568 0.815 -2.864 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.390 -1.869 -1.711 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.472 -0.491 -1.693 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.555 -0.711 -4.349 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.346 -2.651 -2.006 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.282 -3.494 -3.244 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.761 -1.797 -5.935 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.952 -3.013 -5.460 1.00 0.00 H new ATOM 664 N VAL A 47 -8.218 -3.839 -1.146 1.00 0.00 N ATOM 665 CA VAL A 47 -7.597 -5.113 -1.487 1.00 0.00 C ATOM 666 C VAL A 47 -7.636 -5.359 -2.991 1.00 0.00 C ATOM 667 O VAL A 47 -8.329 -4.658 -3.727 1.00 0.00 O ATOM 668 CB VAL A 47 -8.290 -6.285 -0.767 1.00 0.00 C ATOM 669 CG1 VAL A 47 -8.222 -6.101 0.741 1.00 0.00 C ATOM 670 CG2 VAL A 47 -9.732 -6.418 -1.233 1.00 0.00 C ATOM 0 H VAL A 47 -8.987 -3.910 -0.479 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.559 -5.057 -1.159 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.765 -7.206 -1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.717 -6.939 1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.179 -6.060 1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.721 -5.172 1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.207 -7.251 -0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.272 -5.497 -1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.752 -6.601 -2.307 1.00 0.00 H new ATOM 680 N GLY A 48 -6.887 -6.361 -3.441 1.00 0.00 N ATOM 681 CA GLY A 48 -6.851 -6.683 -4.855 1.00 0.00 C ATOM 682 C GLY A 48 -5.861 -5.826 -5.619 1.00 0.00 C ATOM 683 O GLY A 48 -5.186 -6.307 -6.530 1.00 0.00 O ATOM 0 H GLY A 48 -6.305 -6.955 -2.851 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.589 -7.734 -4.979 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.846 -6.550 -5.280 1.00 0.00 H new ATOM 687 N HIS A 49 -5.774 -4.552 -5.250 1.00 0.00 N ATOM 688 CA HIS A 49 -4.860 -3.626 -5.908 1.00 0.00 C ATOM 689 C HIS A 49 -3.416 -3.912 -5.509 1.00 0.00 C ATOM 690 O HIS A 49 -3.122 -4.158 -4.339 1.00 0.00 O ATOM 691 CB HIS A 49 -5.222 -2.183 -5.557 1.00 0.00 C ATOM 692 CG HIS A 49 -6.310 -1.612 -6.415 1.00 0.00 C ATOM 693 ND1 HIS A 49 -6.222 -0.376 -7.018 1.00 0.00 N ATOM 694 CD2 HIS A 49 -7.514 -2.118 -6.770 1.00 0.00 C ATOM 695 CE1 HIS A 49 -7.326 -0.145 -7.706 1.00 0.00 C ATOM 696 NE2 HIS A 49 -8.126 -1.187 -7.572 1.00 0.00 N ATOM 0 H HIS A 49 -6.326 -4.138 -4.499 1.00 0.00 H new ATOM 0 HA HIS A 49 -4.955 -3.765 -6.985 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -5.533 -2.139 -4.513 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -4.332 -1.561 -5.651 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.918 -3.076 -6.477 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -7.538 0.745 -8.280 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -9.049 -1.284 -7.996 1.00 0.00 H new ATOM 704 N ARG A 50 -2.518 -3.878 -6.488 1.00 0.00 N ATOM 705 CA ARG A 50 -1.105 -4.136 -6.239 1.00 0.00 C ATOM 706 C ARG A 50 -0.365 -2.841 -5.914 1.00 0.00 C ATOM 707 O ARG A 50 -0.641 -1.794 -6.501 1.00 0.00 O ATOM 708 CB ARG A 50 -0.465 -4.811 -7.453 1.00 0.00 C ATOM 709 CG ARG A 50 1.013 -5.116 -7.272 1.00 0.00 C ATOM 710 CD ARG A 50 1.685 -5.421 -8.602 1.00 0.00 C ATOM 711 NE ARG A 50 1.266 -6.711 -9.143 1.00 0.00 N ATOM 712 CZ ARG A 50 1.912 -7.345 -10.116 1.00 0.00 C ATOM 713 NH1 ARG A 50 3.001 -6.810 -10.651 1.00 0.00 N ATOM 714 NH2 ARG A 50 1.469 -8.516 -10.555 1.00 0.00 N ATOM 0 H ARG A 50 -2.744 -3.674 -7.462 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.030 -4.803 -5.380 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.996 -5.740 -7.663 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.590 -4.168 -8.324 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.506 -4.266 -6.800 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.131 -5.966 -6.600 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.448 -4.633 -9.317 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.767 -5.417 -8.471 1.00 0.00 H new ATOM 0 HE ARG A 50 0.432 -7.149 -8.753 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.345 -5.910 -10.316 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.495 -7.299 -11.398 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.632 -8.931 -10.146 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.966 -9.002 -11.302 1.00 0.00 H new ATOM 728 N ILE A 51 0.574 -2.921 -4.977 1.00 0.00 N ATOM 729 CA ILE A 51 1.353 -1.756 -4.576 1.00 0.00 C ATOM 730 C ILE A 51 2.488 -1.489 -5.558 1.00 0.00 C ATOM 731 O ILE A 51 3.210 -2.406 -5.952 1.00 0.00 O ATOM 732 CB ILE A 51 1.941 -1.931 -3.164 1.00 0.00 C ATOM 733 CG1 ILE A 51 0.841 -2.319 -2.174 1.00 0.00 C ATOM 734 CG2 ILE A 51 2.637 -0.654 -2.717 1.00 0.00 C ATOM 735 CD1 ILE A 51 -0.297 -1.324 -2.115 1.00 0.00 C ATOM 0 H ILE A 51 0.814 -3.780 -4.482 1.00 0.00 H new ATOM 0 HA ILE A 51 0.671 -0.906 -4.574 1.00 0.00 H new ATOM 0 HB ILE A 51 2.679 -2.733 -3.191 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.444 -3.296 -2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.277 -2.420 -1.180 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.047 -0.794 -1.717 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.444 -0.418 -3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.919 0.166 -2.703 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.040 -1.663 -1.393 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.087 -0.350 -1.811 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.759 -1.241 -3.099 1.00 0.00 H new ATOM 747 N ILE A 52 2.641 -0.229 -5.949 1.00 0.00 N ATOM 748 CA ILE A 52 3.691 0.159 -6.883 1.00 0.00 C ATOM 749 C ILE A 52 4.674 1.127 -6.234 1.00 0.00 C ATOM 750 O ILE A 52 5.836 1.206 -6.631 1.00 0.00 O ATOM 751 CB ILE A 52 3.106 0.812 -8.149 1.00 0.00 C ATOM 752 CG1 ILE A 52 2.099 1.900 -7.770 1.00 0.00 C ATOM 753 CG2 ILE A 52 2.450 -0.240 -9.032 1.00 0.00 C ATOM 754 CD1 ILE A 52 1.689 2.775 -8.933 1.00 0.00 C ATOM 0 H ILE A 52 2.051 0.541 -5.634 1.00 0.00 H new ATOM 0 HA ILE A 52 4.215 -0.754 -7.164 1.00 0.00 H new ATOM 0 HB ILE A 52 3.918 1.275 -8.710 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.210 1.430 -7.348 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.530 2.526 -6.989 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.041 0.236 -9.923 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.192 -0.983 -9.326 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.647 -0.728 -8.481 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.974 3.523 -8.591 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.568 3.273 -9.341 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.228 2.160 -9.706 1.00 0.00 H new ATOM 766 N GLU A 53 4.200 1.861 -5.232 1.00 0.00 N ATOM 767 CA GLU A 53 5.038 2.823 -4.527 1.00 0.00 C ATOM 768 C GLU A 53 4.668 2.887 -3.047 1.00 0.00 C ATOM 769 O GLU A 53 3.553 2.536 -2.661 1.00 0.00 O ATOM 770 CB GLU A 53 4.902 4.211 -5.158 1.00 0.00 C ATOM 771 CG GLU A 53 6.140 5.076 -4.998 1.00 0.00 C ATOM 772 CD GLU A 53 5.874 6.538 -5.304 1.00 0.00 C ATOM 773 OE1 GLU A 53 4.705 6.963 -5.191 1.00 0.00 O ATOM 774 OE2 GLU A 53 6.833 7.255 -5.655 1.00 0.00 O ATOM 0 H GLU A 53 3.240 1.808 -4.891 1.00 0.00 H new ATOM 0 HA GLU A 53 6.073 2.493 -4.611 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.683 4.098 -6.220 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.051 4.723 -4.709 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.513 4.984 -3.978 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.924 4.707 -5.659 1.00 0.00 H new ATOM 781 N ILE A 54 5.611 3.335 -2.226 1.00 0.00 N ATOM 782 CA ILE A 54 5.385 3.444 -0.791 1.00 0.00 C ATOM 783 C ILE A 54 6.264 4.529 -0.177 1.00 0.00 C ATOM 784 O ILE A 54 7.478 4.544 -0.375 1.00 0.00 O ATOM 785 CB ILE A 54 5.660 2.109 -0.074 1.00 0.00 C ATOM 786 CG1 ILE A 54 7.161 1.814 -0.057 1.00 0.00 C ATOM 787 CG2 ILE A 54 4.900 0.979 -0.750 1.00 0.00 C ATOM 788 CD1 ILE A 54 7.883 2.420 1.126 1.00 0.00 C ATOM 0 H ILE A 54 6.539 3.628 -2.530 1.00 0.00 H new ATOM 0 HA ILE A 54 4.336 3.709 -0.656 1.00 0.00 H new ATOM 0 HB ILE A 54 5.313 2.188 0.956 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.311 0.734 -0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.608 2.191 -0.977 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.105 0.042 -0.232 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.831 1.187 -0.714 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.219 0.896 -1.789 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.943 2.170 1.073 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.764 3.503 1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.463 2.024 2.051 1.00 0.00 H new ATOM 800 N ASN A 55 5.641 5.434 0.571 1.00 0.00 N ATOM 801 CA ASN A 55 6.367 6.523 1.216 1.00 0.00 C ATOM 802 C ASN A 55 7.393 7.130 0.265 1.00 0.00 C ATOM 803 O ASN A 55 8.468 7.557 0.686 1.00 0.00 O ATOM 804 CB ASN A 55 7.063 6.019 2.482 1.00 0.00 C ATOM 805 CG ASN A 55 6.181 5.093 3.298 1.00 0.00 C ATOM 806 OD1 ASN A 55 6.487 3.912 3.462 1.00 0.00 O ATOM 807 ND2 ASN A 55 5.079 5.627 3.812 1.00 0.00 N ATOM 0 H ASN A 55 4.636 5.435 0.746 1.00 0.00 H new ATOM 0 HA ASN A 55 5.648 7.296 1.488 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.978 5.495 2.206 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.356 6.871 3.096 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.446 5.053 4.369 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.866 6.611 3.650 1.00 0.00 H new ATOM 814 N GLY A 56 7.054 7.167 -1.020 1.00 0.00 N ATOM 815 CA GLY A 56 7.956 7.724 -2.010 1.00 0.00 C ATOM 816 C GLY A 56 9.087 6.779 -2.361 1.00 0.00 C ATOM 817 O GLY A 56 10.235 7.201 -2.504 1.00 0.00 O ATOM 0 H GLY A 56 6.170 6.821 -1.393 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.395 7.965 -2.913 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.371 8.659 -1.633 1.00 0.00 H new ATOM 821 N GLN A 57 8.764 5.497 -2.498 1.00 0.00 N ATOM 822 CA GLN A 57 9.764 4.489 -2.832 1.00 0.00 C ATOM 823 C GLN A 57 9.194 3.455 -3.797 1.00 0.00 C ATOM 824 O GLN A 57 8.079 2.968 -3.612 1.00 0.00 O ATOM 825 CB GLN A 57 10.266 3.798 -1.563 1.00 0.00 C ATOM 826 CG GLN A 57 11.180 4.670 -0.717 1.00 0.00 C ATOM 827 CD GLN A 57 12.455 5.053 -1.440 1.00 0.00 C ATOM 828 OE1 GLN A 57 12.448 5.908 -2.326 1.00 0.00 O ATOM 829 NE2 GLN A 57 13.561 4.420 -1.066 1.00 0.00 N ATOM 0 H GLN A 57 7.819 5.132 -2.383 1.00 0.00 H new ATOM 0 HA GLN A 57 10.600 4.991 -3.319 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.409 3.494 -0.962 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.800 2.889 -1.841 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.646 5.575 -0.427 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.433 4.140 0.202 1.00 0.00 H new ATOM 0 HE21 GLN A 57 13.522 3.718 -0.327 1.00 0.00 H new ATOM 0 HE22 GLN A 57 14.450 4.636 -1.518 1.00 0.00 H new ATOM 838 N SER A 58 9.966 3.125 -4.828 1.00 0.00 N ATOM 839 CA SER A 58 9.535 2.152 -5.824 1.00 0.00 C ATOM 840 C SER A 58 9.542 0.741 -5.244 1.00 0.00 C ATOM 841 O SER A 58 10.596 0.202 -4.905 1.00 0.00 O ATOM 842 CB SER A 58 10.443 2.214 -7.054 1.00 0.00 C ATOM 843 OG SER A 58 10.414 3.502 -7.645 1.00 0.00 O ATOM 0 H SER A 58 10.893 3.517 -4.995 1.00 0.00 H new ATOM 0 HA SER A 58 8.516 2.399 -6.120 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.465 1.964 -6.768 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.125 1.469 -7.783 1.00 0.00 H new ATOM 0 HG SER A 58 11.003 3.516 -8.428 1.00 0.00 H new ATOM 849 N VAL A 59 8.358 0.147 -5.133 1.00 0.00 N ATOM 850 CA VAL A 59 8.226 -1.201 -4.595 1.00 0.00 C ATOM 851 C VAL A 59 7.892 -2.202 -5.696 1.00 0.00 C ATOM 852 O VAL A 59 7.960 -3.414 -5.490 1.00 0.00 O ATOM 853 CB VAL A 59 7.137 -1.268 -3.508 1.00 0.00 C ATOM 854 CG1 VAL A 59 7.492 -0.361 -2.340 1.00 0.00 C ATOM 855 CG2 VAL A 59 5.781 -0.896 -4.089 1.00 0.00 C ATOM 0 H VAL A 59 7.476 0.579 -5.409 1.00 0.00 H new ATOM 0 HA VAL A 59 9.187 -1.460 -4.152 1.00 0.00 H new ATOM 0 HB VAL A 59 7.080 -2.292 -3.138 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.711 -0.421 -1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.442 -0.678 -1.909 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.578 0.667 -2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.023 -0.949 -3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.822 0.118 -4.487 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.525 -1.590 -4.889 1.00 0.00 H new ATOM 865 N VAL A 60 7.531 -1.686 -6.867 1.00 0.00 N ATOM 866 CA VAL A 60 7.187 -2.534 -8.002 1.00 0.00 C ATOM 867 C VAL A 60 8.241 -3.614 -8.220 1.00 0.00 C ATOM 868 O VAL A 60 7.961 -4.661 -8.803 1.00 0.00 O ATOM 869 CB VAL A 60 7.039 -1.709 -9.294 1.00 0.00 C ATOM 870 CG1 VAL A 60 8.197 -0.735 -9.442 1.00 0.00 C ATOM 871 CG2 VAL A 60 6.946 -2.627 -10.504 1.00 0.00 C ATOM 0 H VAL A 60 7.469 -0.685 -7.054 1.00 0.00 H new ATOM 0 HA VAL A 60 6.232 -3.004 -7.768 1.00 0.00 H new ATOM 0 HB VAL A 60 6.116 -1.132 -9.232 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.075 -0.161 -10.361 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.213 -0.056 -8.589 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.135 -1.289 -9.482 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.842 -2.028 -11.408 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.850 -3.232 -10.572 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.079 -3.280 -10.400 1.00 0.00 H new ATOM 881 N ALA A 61 9.455 -3.352 -7.747 1.00 0.00 N ATOM 882 CA ALA A 61 10.551 -4.303 -7.888 1.00 0.00 C ATOM 883 C ALA A 61 11.038 -4.785 -6.525 1.00 0.00 C ATOM 884 O ALA A 61 11.530 -5.906 -6.391 1.00 0.00 O ATOM 885 CB ALA A 61 11.697 -3.676 -8.668 1.00 0.00 C ATOM 0 H ALA A 61 9.704 -2.489 -7.263 1.00 0.00 H new ATOM 0 HA ALA A 61 10.181 -5.167 -8.439 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.508 -4.397 -8.766 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.347 -3.387 -9.659 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.058 -2.794 -8.139 1.00 0.00 H new ATOM 891 N THR A 62 10.899 -3.931 -5.516 1.00 0.00 N ATOM 892 CA THR A 62 11.326 -4.270 -4.164 1.00 0.00 C ATOM 893 C THR A 62 10.794 -5.635 -3.745 1.00 0.00 C ATOM 894 O THR A 62 9.647 -5.992 -4.017 1.00 0.00 O ATOM 895 CB THR A 62 10.857 -3.213 -3.146 1.00 0.00 C ATOM 896 OG1 THR A 62 11.440 -1.943 -3.454 1.00 0.00 O ATOM 897 CG2 THR A 62 11.236 -3.621 -1.730 1.00 0.00 C ATOM 0 H THR A 62 10.494 -2.999 -5.609 1.00 0.00 H new ATOM 0 HA THR A 62 12.416 -4.296 -4.174 1.00 0.00 H new ATOM 0 HB THR A 62 9.771 -3.138 -3.208 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.135 -1.277 -2.803 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.895 -2.860 -1.028 1.00 0.00 H new ATOM 0 HG22 THR A 62 10.766 -4.574 -1.488 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.319 -3.722 -1.658 1.00 0.00 H new ATOM 905 N PRO A 63 11.644 -6.419 -3.065 1.00 0.00 N ATOM 906 CA PRO A 63 11.280 -7.758 -2.592 1.00 0.00 C ATOM 907 C PRO A 63 10.259 -7.716 -1.460 1.00 0.00 C ATOM 908 O PRO A 63 10.403 -6.945 -0.510 1.00 0.00 O ATOM 909 CB PRO A 63 12.608 -8.331 -2.093 1.00 0.00 C ATOM 910 CG PRO A 63 13.426 -7.138 -1.738 1.00 0.00 C ATOM 911 CD PRO A 63 13.025 -6.058 -2.705 1.00 0.00 C ATOM 0 HA PRO A 63 10.811 -8.353 -3.375 1.00 0.00 H new ATOM 0 HB2 PRO A 63 12.460 -8.980 -1.230 1.00 0.00 H new ATOM 0 HB3 PRO A 63 13.095 -8.930 -2.863 1.00 0.00 H new ATOM 0 HG2 PRO A 63 13.240 -6.829 -0.709 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.491 -7.357 -1.817 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.076 -5.070 -2.248 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.676 -6.039 -3.579 1.00 0.00 H new ATOM 919 N HIS A 64 9.229 -8.548 -1.567 1.00 0.00 N ATOM 920 CA HIS A 64 8.184 -8.606 -0.550 1.00 0.00 C ATOM 921 C HIS A 64 8.764 -8.365 0.840 1.00 0.00 C ATOM 922 O HIS A 64 8.252 -7.546 1.603 1.00 0.00 O ATOM 923 CB HIS A 64 7.477 -9.961 -0.592 1.00 0.00 C ATOM 924 CG HIS A 64 6.337 -10.072 0.373 1.00 0.00 C ATOM 925 ND1 HIS A 64 5.017 -9.947 -0.003 1.00 0.00 N ATOM 926 CD2 HIS A 64 6.326 -10.300 1.708 1.00 0.00 C ATOM 927 CE1 HIS A 64 4.243 -10.091 1.058 1.00 0.00 C ATOM 928 NE2 HIS A 64 5.013 -10.307 2.109 1.00 0.00 N ATOM 0 H HIS A 64 9.095 -9.191 -2.347 1.00 0.00 H new ATOM 0 HA HIS A 64 7.460 -7.820 -0.763 1.00 0.00 H new ATOM 0 HB2 HIS A 64 7.106 -10.137 -1.602 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.202 -10.746 -0.377 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.189 -10.449 2.340 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.164 -10.041 1.065 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.685 -10.455 3.064 1.00 0.00 H new ATOM 936 N ALA A 65 9.835 -9.083 1.161 1.00 0.00 N ATOM 937 CA ALA A 65 10.486 -8.945 2.459 1.00 0.00 C ATOM 938 C ALA A 65 10.653 -7.477 2.836 1.00 0.00 C ATOM 939 O ALA A 65 10.005 -6.988 3.762 1.00 0.00 O ATOM 940 CB ALA A 65 11.836 -9.646 2.449 1.00 0.00 C ATOM 0 H ALA A 65 10.270 -9.766 0.541 1.00 0.00 H new ATOM 0 HA ALA A 65 9.850 -9.415 3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.311 -9.535 3.424 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.695 -10.705 2.233 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.471 -9.201 1.683 1.00 0.00 H new ATOM 946 N ARG A 66 11.525 -6.781 2.115 1.00 0.00 N ATOM 947 CA ARG A 66 11.778 -5.369 2.376 1.00 0.00 C ATOM 948 C ARG A 66 10.468 -4.593 2.484 1.00 0.00 C ATOM 949 O ARG A 66 10.245 -3.864 3.451 1.00 0.00 O ATOM 950 CB ARG A 66 12.648 -4.771 1.269 1.00 0.00 C ATOM 951 CG ARG A 66 13.551 -3.646 1.745 1.00 0.00 C ATOM 952 CD ARG A 66 14.683 -4.170 2.615 1.00 0.00 C ATOM 953 NE ARG A 66 15.867 -4.507 1.829 1.00 0.00 N ATOM 954 CZ ARG A 66 16.677 -3.600 1.295 1.00 0.00 C ATOM 955 NH1 ARG A 66 16.433 -2.307 1.463 1.00 0.00 N ATOM 956 NH2 ARG A 66 17.735 -3.985 0.592 1.00 0.00 N ATOM 0 H ARG A 66 12.068 -7.172 1.345 1.00 0.00 H new ATOM 0 HA ARG A 66 12.307 -5.290 3.326 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.263 -5.560 0.835 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.003 -4.396 0.474 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.965 -3.122 0.884 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.964 -2.920 2.308 1.00 0.00 H new ATOM 0 HD2 ARG A 66 14.945 -3.419 3.360 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.345 -5.053 3.157 1.00 0.00 H new ATOM 0 HE ARG A 66 16.084 -5.493 1.682 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.622 -2.007 2.003 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.057 -1.613 1.052 1.00 0.00 H new ATOM 0 HH21 ARG A 66 17.927 -4.978 0.461 1.00 0.00 H new ATOM 0 HH22 ARG A 66 18.356 -3.288 0.182 1.00 0.00 H new ATOM 970 N ILE A 67 9.607 -4.754 1.485 1.00 0.00 N ATOM 971 CA ILE A 67 8.321 -4.070 1.468 1.00 0.00 C ATOM 972 C ILE A 67 7.677 -4.073 2.850 1.00 0.00 C ATOM 973 O ILE A 67 7.088 -3.079 3.275 1.00 0.00 O ATOM 974 CB ILE A 67 7.351 -4.717 0.461 1.00 0.00 C ATOM 975 CG1 ILE A 67 7.842 -4.491 -0.970 1.00 0.00 C ATOM 976 CG2 ILE A 67 5.949 -4.156 0.641 1.00 0.00 C ATOM 977 CD1 ILE A 67 7.079 -5.290 -2.004 1.00 0.00 C ATOM 0 H ILE A 67 9.777 -5.352 0.677 1.00 0.00 H new ATOM 0 HA ILE A 67 8.516 -3.042 1.163 1.00 0.00 H new ATOM 0 HB ILE A 67 7.318 -5.790 0.648 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.762 -3.431 -1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.899 -4.752 -1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.275 -4.623 -0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.601 -4.364 1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.964 -3.079 0.477 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.481 -5.080 -2.995 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.180 -6.354 -1.789 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.025 -5.012 -1.974 1.00 0.00 H new ATOM 989 N ILE A 68 7.796 -5.197 3.549 1.00 0.00 N ATOM 990 CA ILE A 68 7.229 -5.329 4.885 1.00 0.00 C ATOM 991 C ILE A 68 7.994 -4.479 5.894 1.00 0.00 C ATOM 992 O ILE A 68 7.396 -3.772 6.703 1.00 0.00 O ATOM 993 CB ILE A 68 7.236 -6.795 5.357 1.00 0.00 C ATOM 994 CG1 ILE A 68 6.508 -7.683 4.346 1.00 0.00 C ATOM 995 CG2 ILE A 68 6.593 -6.912 6.731 1.00 0.00 C ATOM 996 CD1 ILE A 68 5.002 -7.561 4.408 1.00 0.00 C ATOM 0 H ILE A 68 8.280 -6.029 3.212 1.00 0.00 H new ATOM 0 HA ILE A 68 6.198 -4.979 4.826 1.00 0.00 H new ATOM 0 HB ILE A 68 8.270 -7.132 5.431 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.844 -7.426 3.341 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.788 -8.722 4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.605 -7.954 7.051 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.150 -6.306 7.446 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.563 -6.560 6.682 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.553 -8.218 3.664 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.654 -7.846 5.401 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.712 -6.530 4.204 1.00 0.00 H new ATOM 1008 N GLU A 69 9.320 -4.552 5.836 1.00 0.00 N ATOM 1009 CA GLU A 69 10.167 -3.787 6.745 1.00 0.00 C ATOM 1010 C GLU A 69 9.951 -2.288 6.557 1.00 0.00 C ATOM 1011 O GLU A 69 9.937 -1.526 7.524 1.00 0.00 O ATOM 1012 CB GLU A 69 11.639 -4.134 6.518 1.00 0.00 C ATOM 1013 CG GLU A 69 12.115 -5.329 7.327 1.00 0.00 C ATOM 1014 CD GLU A 69 13.611 -5.550 7.217 1.00 0.00 C ATOM 1015 OE1 GLU A 69 14.151 -5.410 6.100 1.00 0.00 O ATOM 1016 OE2 GLU A 69 14.241 -5.864 8.248 1.00 0.00 O ATOM 0 H GLU A 69 9.831 -5.132 5.170 1.00 0.00 H new ATOM 0 HA GLU A 69 9.892 -4.051 7.766 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.796 -4.337 5.459 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.251 -3.268 6.771 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.849 -5.183 8.374 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.593 -6.224 6.987 1.00 0.00 H new ATOM 1023 N LEU A 70 9.783 -1.873 5.307 1.00 0.00 N ATOM 1024 CA LEU A 70 9.568 -0.465 4.990 1.00 0.00 C ATOM 1025 C LEU A 70 8.231 0.019 5.542 1.00 0.00 C ATOM 1026 O LEU A 70 8.186 0.802 6.492 1.00 0.00 O ATOM 1027 CB LEU A 70 9.617 -0.249 3.477 1.00 0.00 C ATOM 1028 CG LEU A 70 10.993 -0.385 2.823 1.00 0.00 C ATOM 1029 CD1 LEU A 70 10.884 -0.235 1.314 1.00 0.00 C ATOM 1030 CD2 LEU A 70 11.959 0.643 3.395 1.00 0.00 C ATOM 0 H LEU A 70 9.791 -2.491 4.496 1.00 0.00 H new ATOM 0 HA LEU A 70 10.364 0.113 5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.941 -0.963 3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.231 0.747 3.260 1.00 0.00 H new ATOM 0 HG LEU A 70 11.381 -1.380 3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.873 -0.335 0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.227 -1.009 0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.474 0.746 1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.933 0.532 2.918 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.576 1.646 3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.061 0.488 4.469 1.00 0.00 H new ATOM 1042 N LEU A 71 7.144 -0.453 4.942 1.00 0.00 N ATOM 1043 CA LEU A 71 5.804 -0.070 5.375 1.00 0.00 C ATOM 1044 C LEU A 71 5.728 0.019 6.896 1.00 0.00 C ATOM 1045 O LEU A 71 5.218 0.994 7.447 1.00 0.00 O ATOM 1046 CB LEU A 71 4.774 -1.075 4.858 1.00 0.00 C ATOM 1047 CG LEU A 71 4.205 -0.799 3.466 1.00 0.00 C ATOM 1048 CD1 LEU A 71 3.412 -1.996 2.966 1.00 0.00 C ATOM 1049 CD2 LEU A 71 3.335 0.450 3.484 1.00 0.00 C ATOM 0 H LEU A 71 7.164 -1.101 4.155 1.00 0.00 H new ATOM 0 HA LEU A 71 5.582 0.914 4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.233 -2.064 4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.946 -1.113 5.566 1.00 0.00 H new ATOM 0 HG LEU A 71 5.036 -0.629 2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.015 -1.781 1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.064 -2.868 2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.588 -2.198 3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.938 0.632 2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.510 0.309 4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.933 1.306 3.798 1.00 0.00 H new ATOM 1061 N THR A 72 6.240 -1.006 7.570 1.00 0.00 N ATOM 1062 CA THR A 72 6.231 -1.044 9.026 1.00 0.00 C ATOM 1063 C THR A 72 7.055 0.097 9.611 1.00 0.00 C ATOM 1064 O THR A 72 6.593 0.819 10.494 1.00 0.00 O ATOM 1065 CB THR A 72 6.779 -2.382 9.557 1.00 0.00 C ATOM 1066 OG1 THR A 72 5.963 -3.464 9.094 1.00 0.00 O ATOM 1067 CG2 THR A 72 6.819 -2.386 11.078 1.00 0.00 C ATOM 0 H THR A 72 6.666 -1.821 7.130 1.00 0.00 H new ATOM 0 HA THR A 72 5.192 -0.936 9.338 1.00 0.00 H new ATOM 0 HB THR A 72 7.795 -2.507 9.182 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.284 -3.765 8.218 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.209 -3.341 11.429 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.464 -1.580 11.427 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.812 -2.240 11.469 1.00 0.00 H new ATOM 1075 N GLU A 73 8.278 0.254 9.113 1.00 0.00 N ATOM 1076 CA GLU A 73 9.166 1.309 9.588 1.00 0.00 C ATOM 1077 C GLU A 73 8.521 2.681 9.416 1.00 0.00 C ATOM 1078 O GLU A 73 8.696 3.570 10.250 1.00 0.00 O ATOM 1079 CB GLU A 73 10.498 1.262 8.837 1.00 0.00 C ATOM 1080 CG GLU A 73 11.454 0.203 9.359 1.00 0.00 C ATOM 1081 CD GLU A 73 12.728 0.112 8.541 1.00 0.00 C ATOM 1082 OE1 GLU A 73 13.209 1.166 8.075 1.00 0.00 O ATOM 1083 OE2 GLU A 73 13.242 -1.012 8.366 1.00 0.00 O ATOM 0 H GLU A 73 8.676 -0.335 8.382 1.00 0.00 H new ATOM 0 HA GLU A 73 9.350 1.143 10.650 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.304 1.075 7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.978 2.238 8.905 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.707 0.427 10.395 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.954 -0.766 9.355 1.00 0.00 H new ATOM 1090 N ALA A 74 7.774 2.846 8.329 1.00 0.00 N ATOM 1091 CA ALA A 74 7.102 4.108 8.048 1.00 0.00 C ATOM 1092 C ALA A 74 6.055 4.421 9.112 1.00 0.00 C ATOM 1093 O ALA A 74 5.054 3.716 9.238 1.00 0.00 O ATOM 1094 CB ALA A 74 6.461 4.069 6.669 1.00 0.00 C ATOM 0 H ALA A 74 7.619 2.121 7.629 1.00 0.00 H new ATOM 0 HA ALA A 74 7.849 4.901 8.067 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.963 5.018 6.472 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.230 3.900 5.915 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.731 3.261 6.630 1.00 0.00 H new ATOM 1100 N TYR A 75 6.293 5.482 9.875 1.00 0.00 N ATOM 1101 CA TYR A 75 5.372 5.887 10.930 1.00 0.00 C ATOM 1102 C TYR A 75 4.650 7.178 10.558 1.00 0.00 C ATOM 1103 O TYR A 75 5.094 7.921 9.683 1.00 0.00 O ATOM 1104 CB TYR A 75 6.123 6.071 12.249 1.00 0.00 C ATOM 1105 CG TYR A 75 7.185 5.023 12.493 1.00 0.00 C ATOM 1106 CD1 TYR A 75 6.841 3.736 12.890 1.00 0.00 C ATOM 1107 CD2 TYR A 75 8.533 5.319 12.328 1.00 0.00 C ATOM 1108 CE1 TYR A 75 7.807 2.775 13.114 1.00 0.00 C ATOM 1109 CE2 TYR A 75 9.506 4.363 12.549 1.00 0.00 C ATOM 1110 CZ TYR A 75 9.138 3.093 12.942 1.00 0.00 C ATOM 1111 OH TYR A 75 10.105 2.139 13.164 1.00 0.00 O ATOM 0 H TYR A 75 7.116 6.077 9.782 1.00 0.00 H new ATOM 0 HA TYR A 75 4.629 5.099 11.050 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.588 7.057 12.258 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.407 6.049 13.071 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.800 3.483 13.026 1.00 0.00 H new ATOM 0 HD2 TYR A 75 8.825 6.313 12.022 1.00 0.00 H new ATOM 0 HE1 TYR A 75 7.522 1.780 13.422 1.00 0.00 H new ATOM 0 HE2 TYR A 75 10.549 4.609 12.415 1.00 0.00 H new ATOM 0 HH TYR A 75 10.990 2.525 12.997 1.00 0.00 H new ATOM 1121 N GLY A 76 3.533 7.440 11.231 1.00 0.00 N ATOM 1122 CA GLY A 76 2.767 8.642 10.958 1.00 0.00 C ATOM 1123 C GLY A 76 2.061 8.588 9.618 1.00 0.00 C ATOM 1124 O GLY A 76 1.271 7.679 9.362 1.00 0.00 O ATOM 0 H GLY A 76 3.145 6.841 11.960 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.030 8.787 11.748 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.432 9.506 10.980 1.00 0.00 H new ATOM 1128 N GLU A 77 2.345 9.564 8.761 1.00 0.00 N ATOM 1129 CA GLU A 77 1.729 9.624 7.441 1.00 0.00 C ATOM 1130 C GLU A 77 2.343 8.586 6.506 1.00 0.00 C ATOM 1131 O GLU A 77 3.457 8.760 6.013 1.00 0.00 O ATOM 1132 CB GLU A 77 1.888 11.023 6.843 1.00 0.00 C ATOM 1133 CG GLU A 77 0.774 11.404 5.881 1.00 0.00 C ATOM 1134 CD GLU A 77 0.892 12.834 5.390 1.00 0.00 C ATOM 1135 OE1 GLU A 77 2.032 13.306 5.203 1.00 0.00 O ATOM 1136 OE2 GLU A 77 -0.159 13.481 5.193 1.00 0.00 O ATOM 0 H GLU A 77 2.997 10.323 8.957 1.00 0.00 H new ATOM 0 HA GLU A 77 0.668 9.403 7.553 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.924 11.753 7.652 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.843 11.079 6.321 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.790 10.728 5.026 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.189 11.271 6.375 1.00 0.00 H new ATOM 1143 N VAL A 78 1.607 7.505 6.266 1.00 0.00 N ATOM 1144 CA VAL A 78 2.078 6.439 5.390 1.00 0.00 C ATOM 1145 C VAL A 78 1.398 6.507 4.028 1.00 0.00 C ATOM 1146 O VAL A 78 0.268 6.047 3.862 1.00 0.00 O ATOM 1147 CB VAL A 78 1.826 5.051 6.010 1.00 0.00 C ATOM 1148 CG1 VAL A 78 2.365 3.956 5.103 1.00 0.00 C ATOM 1149 CG2 VAL A 78 2.450 4.964 7.394 1.00 0.00 C ATOM 0 H VAL A 78 0.682 7.345 6.666 1.00 0.00 H new ATOM 0 HA VAL A 78 3.151 6.583 5.264 1.00 0.00 H new ATOM 0 HB VAL A 78 0.750 4.908 6.113 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.178 2.983 5.557 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.866 4.007 4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.438 4.092 4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.262 3.977 7.816 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.525 5.128 7.319 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.011 5.725 8.040 1.00 0.00 H new ATOM 1159 N HIS A 79 2.094 7.083 3.053 1.00 0.00 N ATOM 1160 CA HIS A 79 1.558 7.210 1.702 1.00 0.00 C ATOM 1161 C HIS A 79 1.727 5.907 0.926 1.00 0.00 C ATOM 1162 O HIS A 79 2.831 5.565 0.502 1.00 0.00 O ATOM 1163 CB HIS A 79 2.252 8.353 0.961 1.00 0.00 C ATOM 1164 CG HIS A 79 1.764 9.711 1.362 1.00 0.00 C ATOM 1165 ND1 HIS A 79 1.260 10.625 0.462 1.00 0.00 N ATOM 1166 CD2 HIS A 79 1.705 10.307 2.576 1.00 0.00 C ATOM 1167 CE1 HIS A 79 0.912 11.726 1.105 1.00 0.00 C ATOM 1168 NE2 HIS A 79 1.171 11.558 2.389 1.00 0.00 N ATOM 0 H HIS A 79 3.030 7.469 3.173 1.00 0.00 H new ATOM 0 HA HIS A 79 0.493 7.431 1.779 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.325 8.294 1.142 1.00 0.00 H new ATOM 0 HB3 HIS A 79 2.102 8.224 -0.111 1.00 0.00 H new ATOM 0 HD1 HIS A 79 1.170 10.475 -0.543 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.019 9.878 3.516 1.00 0.00 H new ATOM 0 HE1 HIS A 79 0.488 12.612 0.657 1.00 0.00 H new ATOM 1176 N ILE A 80 0.626 5.185 0.745 1.00 0.00 N ATOM 1177 CA ILE A 80 0.653 3.921 0.020 1.00 0.00 C ATOM 1178 C ILE A 80 0.042 4.071 -1.370 1.00 0.00 C ATOM 1179 O ILE A 80 -1.142 4.378 -1.510 1.00 0.00 O ATOM 1180 CB ILE A 80 -0.102 2.818 0.784 1.00 0.00 C ATOM 1181 CG1 ILE A 80 0.584 2.531 2.120 1.00 0.00 C ATOM 1182 CG2 ILE A 80 -0.185 1.553 -0.058 1.00 0.00 C ATOM 1183 CD1 ILE A 80 -0.252 1.693 3.062 1.00 0.00 C ATOM 0 H ILE A 80 -0.295 5.454 1.090 1.00 0.00 H new ATOM 0 HA ILE A 80 1.700 3.634 -0.075 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.116 3.165 0.985 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.528 2.019 1.932 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.826 3.477 2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.721 0.782 0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.714 1.768 -0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.821 1.202 -0.287 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.298 1.529 3.989 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.185 2.212 3.280 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.472 0.732 2.596 1.00 0.00 H new ATOM 1195 N LYS A 81 0.858 3.851 -2.395 1.00 0.00 N ATOM 1196 CA LYS A 81 0.399 3.959 -3.775 1.00 0.00 C ATOM 1197 C LYS A 81 -0.139 2.622 -4.275 1.00 0.00 C ATOM 1198 O LYS A 81 0.621 1.679 -4.500 1.00 0.00 O ATOM 1199 CB LYS A 81 1.540 4.431 -4.678 1.00 0.00 C ATOM 1200 CG LYS A 81 1.073 4.953 -6.026 1.00 0.00 C ATOM 1201 CD LYS A 81 2.077 5.923 -6.627 1.00 0.00 C ATOM 1202 CE LYS A 81 1.910 7.323 -6.056 1.00 0.00 C ATOM 1203 NZ LYS A 81 2.813 8.304 -6.719 1.00 0.00 N ATOM 0 H LYS A 81 1.841 3.597 -2.296 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.408 4.691 -3.807 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.096 5.217 -4.166 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.232 3.604 -4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.921 4.117 -6.708 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.110 5.450 -5.911 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.089 5.568 -6.432 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.952 5.953 -7.709 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.875 7.643 -6.176 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.116 7.306 -4.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.501 9.270 -6.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.786 8.166 -6.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.783 8.162 -7.749 1.00 0.00 H new ATOM 1217 N THR A 82 -1.455 2.546 -4.449 1.00 0.00 N ATOM 1218 CA THR A 82 -2.094 1.325 -4.922 1.00 0.00 C ATOM 1219 C THR A 82 -2.384 1.400 -6.417 1.00 0.00 C ATOM 1220 O THR A 82 -2.639 2.477 -6.955 1.00 0.00 O ATOM 1221 CB THR A 82 -3.409 1.051 -4.169 1.00 0.00 C ATOM 1222 OG1 THR A 82 -4.325 2.132 -4.373 1.00 0.00 O ATOM 1223 CG2 THR A 82 -3.153 0.871 -2.680 1.00 0.00 C ATOM 0 H THR A 82 -2.099 3.316 -4.269 1.00 0.00 H new ATOM 0 HA THR A 82 -1.397 0.509 -4.730 1.00 0.00 H new ATOM 0 HB THR A 82 -3.841 0.130 -4.561 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.159 1.949 -3.892 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.097 0.679 -2.169 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.479 0.029 -2.526 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.700 1.777 -2.277 1.00 0.00 H new ATOM 1231 N MET A 83 -2.343 0.250 -7.082 1.00 0.00 N ATOM 1232 CA MET A 83 -2.603 0.187 -8.515 1.00 0.00 C ATOM 1233 C MET A 83 -3.059 -1.210 -8.924 1.00 0.00 C ATOM 1234 O MET A 83 -2.546 -2.222 -8.444 1.00 0.00 O ATOM 1235 CB MET A 83 -1.349 0.577 -9.301 1.00 0.00 C ATOM 1236 CG MET A 83 -1.648 1.138 -10.682 1.00 0.00 C ATOM 1237 SD MET A 83 -0.206 1.905 -11.446 1.00 0.00 S ATOM 1238 CE MET A 83 -0.862 2.326 -13.059 1.00 0.00 C ATOM 0 H MET A 83 -2.132 -0.650 -6.651 1.00 0.00 H new ATOM 0 HA MET A 83 -3.401 0.893 -8.745 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.788 1.317 -8.731 1.00 0.00 H new ATOM 0 HB3 MET A 83 -0.708 -0.298 -9.404 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.012 0.336 -11.325 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.449 1.874 -10.606 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.081 2.794 -13.658 1.00 0.00 H new ATOM 0 HE2 MET A 83 -1.209 1.421 -13.558 1.00 0.00 H new ATOM 0 HE3 MET A 83 -1.695 3.019 -12.943 1.00 0.00 H new ATOM 1248 N PRO A 84 -4.045 -1.271 -9.831 1.00 0.00 N ATOM 1249 CA PRO A 84 -4.591 -2.539 -10.324 1.00 0.00 C ATOM 1250 C PRO A 84 -3.601 -3.292 -11.205 1.00 0.00 C ATOM 1251 O PRO A 84 -3.109 -2.758 -12.199 1.00 0.00 O ATOM 1252 CB PRO A 84 -5.812 -2.106 -11.139 1.00 0.00 C ATOM 1253 CG PRO A 84 -5.510 -0.710 -11.561 1.00 0.00 C ATOM 1254 CD PRO A 84 -4.702 -0.105 -10.446 1.00 0.00 C ATOM 0 HA PRO A 84 -4.826 -3.226 -9.511 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.964 -2.756 -12.001 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.723 -2.151 -10.542 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.953 -0.698 -12.498 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -6.428 -0.146 -11.728 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -3.975 0.615 -10.821 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.334 0.423 -9.732 1.00 0.00 H new ATOM 1262 N ALA A 85 -3.313 -4.536 -10.835 1.00 0.00 N ATOM 1263 CA ALA A 85 -2.384 -5.363 -11.594 1.00 0.00 C ATOM 1264 C ALA A 85 -2.686 -5.299 -13.088 1.00 0.00 C ATOM 1265 O ALA A 85 -1.775 -5.227 -13.912 1.00 0.00 O ATOM 1266 CB ALA A 85 -2.437 -6.803 -11.104 1.00 0.00 C ATOM 0 H ALA A 85 -3.710 -4.993 -10.014 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.378 -4.974 -11.436 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.738 -7.409 -11.680 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.165 -6.839 -10.049 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.447 -7.194 -11.231 1.00 0.00 H new ATOM 1272 N ALA A 86 -3.970 -5.328 -13.429 1.00 0.00 N ATOM 1273 CA ALA A 86 -4.391 -5.271 -14.823 1.00 0.00 C ATOM 1274 C ALA A 86 -3.809 -4.048 -15.524 1.00 0.00 C ATOM 1275 O ALA A 86 -2.946 -4.169 -16.394 1.00 0.00 O ATOM 1276 CB ALA A 86 -5.910 -5.262 -14.916 1.00 0.00 C ATOM 0 H ALA A 86 -4.736 -5.391 -12.759 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.012 -6.160 -15.327 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.210 -5.219 -15.963 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.308 -6.169 -14.461 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.302 -4.391 -14.390 1.00 0.00 H new ATOM 1282 N THR A 87 -4.287 -2.869 -15.140 1.00 0.00 N ATOM 1283 CA THR A 87 -3.816 -1.623 -15.732 1.00 0.00 C ATOM 1284 C THR A 87 -2.293 -1.581 -15.785 1.00 0.00 C ATOM 1285 O THR A 87 -1.702 -1.512 -16.863 1.00 0.00 O ATOM 1286 CB THR A 87 -4.325 -0.400 -14.947 1.00 0.00 C ATOM 1287 OG1 THR A 87 -5.707 -0.571 -14.614 1.00 0.00 O ATOM 1288 CG2 THR A 87 -4.148 0.875 -15.757 1.00 0.00 C ATOM 0 H THR A 87 -5.001 -2.751 -14.421 1.00 0.00 H new ATOM 0 HA THR A 87 -4.213 -1.585 -16.746 1.00 0.00 H new ATOM 0 HB THR A 87 -3.739 -0.315 -14.032 1.00 0.00 H new ATOM 0 HG1 THR A 87 -6.022 0.210 -14.113 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.515 1.725 -15.182 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.091 1.019 -15.983 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.711 0.796 -16.687 1.00 0.00 H new ATOM 1296 N TYR A 88 -1.664 -1.625 -14.616 1.00 0.00 N ATOM 1297 CA TYR A 88 -0.209 -1.590 -14.530 1.00 0.00 C ATOM 1298 C TYR A 88 0.422 -2.464 -15.610 1.00 0.00 C ATOM 1299 O TYR A 88 1.153 -1.976 -16.471 1.00 0.00 O ATOM 1300 CB TYR A 88 0.252 -2.055 -13.148 1.00 0.00 C ATOM 1301 CG TYR A 88 1.626 -1.552 -12.767 1.00 0.00 C ATOM 1302 CD1 TYR A 88 1.936 -0.199 -12.838 1.00 0.00 C ATOM 1303 CD2 TYR A 88 2.614 -2.429 -12.337 1.00 0.00 C ATOM 1304 CE1 TYR A 88 3.190 0.265 -12.491 1.00 0.00 C ATOM 1305 CE2 TYR A 88 3.871 -1.973 -11.987 1.00 0.00 C ATOM 1306 CZ TYR A 88 4.154 -0.625 -12.066 1.00 0.00 C ATOM 1307 OH TYR A 88 5.404 -0.167 -11.720 1.00 0.00 O ATOM 0 H TYR A 88 -2.139 -1.685 -13.715 1.00 0.00 H new ATOM 0 HA TYR A 88 0.114 -0.561 -14.686 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.468 -1.719 -12.402 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.253 -3.145 -13.122 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.184 0.501 -13.170 1.00 0.00 H new ATOM 0 HD2 TYR A 88 2.396 -3.485 -12.275 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.414 1.320 -12.552 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.627 -2.668 -11.654 1.00 0.00 H new ATOM 0 HH TYR A 88 5.333 0.746 -11.371 1.00 0.00 H new ATOM 1317 N ARG A 89 0.132 -3.760 -15.557 1.00 0.00 N ATOM 1318 CA ARG A 89 0.671 -4.704 -16.529 1.00 0.00 C ATOM 1319 C ARG A 89 0.519 -4.167 -17.949 1.00 0.00 C ATOM 1320 O ARG A 89 1.497 -4.059 -18.691 1.00 0.00 O ATOM 1321 CB ARG A 89 -0.036 -6.055 -16.405 1.00 0.00 C ATOM 1322 CG ARG A 89 0.633 -7.005 -15.424 1.00 0.00 C ATOM 1323 CD ARG A 89 1.794 -7.746 -16.070 1.00 0.00 C ATOM 1324 NE ARG A 89 3.029 -6.968 -16.031 1.00 0.00 N ATOM 1325 CZ ARG A 89 3.825 -6.904 -14.970 1.00 0.00 C ATOM 1326 NH1 ARG A 89 3.516 -7.569 -13.865 1.00 0.00 N ATOM 1327 NH2 ARG A 89 4.932 -6.175 -15.012 1.00 0.00 N ATOM 0 H ARG A 89 -0.473 -4.180 -14.851 1.00 0.00 H new ATOM 0 HA ARG A 89 1.733 -4.836 -16.320 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.067 -5.889 -16.091 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.074 -6.527 -17.387 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.993 -6.445 -14.561 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.099 -7.724 -15.055 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.948 -8.696 -15.558 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.545 -7.979 -17.105 1.00 0.00 H new ATOM 0 HE ARG A 89 3.295 -6.445 -16.865 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.666 -8.131 -13.829 1.00 0.00 H new ATOM 0 HH12 ARG A 89 4.129 -7.518 -13.051 1.00 0.00 H new ATOM 0 HH21 ARG A 89 5.173 -5.662 -15.860 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.542 -6.127 -14.196 1.00 0.00 H new ATOM 1341 N LEU A 90 -0.711 -3.833 -18.322 1.00 0.00 N ATOM 1342 CA LEU A 90 -0.992 -3.308 -19.653 1.00 0.00 C ATOM 1343 C LEU A 90 -0.072 -2.136 -19.981 1.00 0.00 C ATOM 1344 O LEU A 90 0.362 -1.974 -21.122 1.00 0.00 O ATOM 1345 CB LEU A 90 -2.453 -2.868 -19.752 1.00 0.00 C ATOM 1346 CG LEU A 90 -3.467 -3.969 -20.066 1.00 0.00 C ATOM 1347 CD1 LEU A 90 -4.864 -3.547 -19.638 1.00 0.00 C ATOM 1348 CD2 LEU A 90 -3.441 -4.311 -21.549 1.00 0.00 C ATOM 0 H LEU A 90 -1.531 -3.917 -17.721 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.810 -4.103 -20.376 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.735 -2.400 -18.809 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.529 -2.101 -20.523 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.192 -4.861 -19.503 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.572 -4.343 -19.870 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.873 -3.354 -18.565 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.150 -2.641 -20.172 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.169 -5.096 -21.754 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.690 -3.424 -22.131 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.445 -4.658 -21.825 1.00 0.00 H new ATOM 1360 N LEU A 91 0.222 -1.322 -18.973 1.00 0.00 N ATOM 1361 CA LEU A 91 1.093 -0.166 -19.153 1.00 0.00 C ATOM 1362 C LEU A 91 2.525 -0.602 -19.447 1.00 0.00 C ATOM 1363 O LEU A 91 3.122 -0.184 -20.439 1.00 0.00 O ATOM 1364 CB LEU A 91 1.063 0.719 -17.906 1.00 0.00 C ATOM 1365 CG LEU A 91 -0.315 1.220 -17.471 1.00 0.00 C ATOM 1366 CD1 LEU A 91 -0.328 1.519 -15.980 1.00 0.00 C ATOM 1367 CD2 LEU A 91 -0.709 2.454 -18.268 1.00 0.00 C ATOM 0 H LEU A 91 -0.130 -1.441 -18.023 1.00 0.00 H new ATOM 0 HA LEU A 91 0.725 0.405 -20.005 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.503 0.162 -17.079 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.703 1.584 -18.083 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.045 0.436 -17.669 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.316 1.874 -15.689 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.090 0.612 -15.425 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.414 2.286 -15.756 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.692 2.797 -17.945 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.023 3.244 -18.101 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.741 2.207 -19.329 1.00 0.00 H new