USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=14 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=-0.09) USER MOD Single : A 17 HIS : no HD1:sc= -1.39 X(o=-1.4,f=-1.4) USER MOD Single : A 21 GLN : amide:sc= -0.162 K(o=-0.16,f=-2!) 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= -0.0273 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 55 ASN : amide:sc= -2.8 X(o=-2.8,f=-2.8) USER MOD Single : A 57 GLN : amide:sc= -0.0173 X(o=-0.017,f=-0.017) USER MOD Single : A 58 SER OG : rot 180:sc= -1.08 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 64 HIS : no HD1:sc= -6.63! C(o=-6.6!,f=-7.8!) USER MOD Single : A 72 THR OG1 : rot 103:sc= 1.22 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.874 K(o=-0.87,f=-1.7) USER MOD Single : A 81 LYS NZ :NH3+ -147:sc= 0.142 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 15:sc= 1.18 USER MOD Single : A 83 MET CE :methyl 150:sc= -0.206 (180deg=-0.904) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.577 USER MOD Single : A 88 TYR OH : rot 30:sc= -0.745 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -3.578 6.890 -10.945 1.00 0.00 N ATOM 67 CA VAL A 8 -3.092 6.021 -9.881 1.00 0.00 C ATOM 68 C VAL A 8 -3.798 6.318 -8.563 1.00 0.00 C ATOM 69 O VAL A 8 -3.845 7.464 -8.114 1.00 0.00 O ATOM 70 CB VAL A 8 -1.572 6.172 -9.681 1.00 0.00 C ATOM 71 CG1 VAL A 8 -1.044 5.086 -8.756 1.00 0.00 C ATOM 72 CG2 VAL A 8 -0.854 6.138 -11.022 1.00 0.00 C ATOM 0 HA VAL A 8 -3.311 4.997 -10.185 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.378 7.138 -9.214 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.031 5.209 -8.627 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.537 5.162 -7.787 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.247 4.107 -9.191 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.219 6.246 -10.863 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.054 5.188 -11.518 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.212 6.956 -11.647 1.00 0.00 H new ATOM 82 N THR A 9 -4.349 5.277 -7.944 1.00 0.00 N ATOM 83 CA THR A 9 -5.054 5.426 -6.678 1.00 0.00 C ATOM 84 C THR A 9 -4.076 5.507 -5.511 1.00 0.00 C ATOM 85 O THR A 9 -3.353 4.552 -5.225 1.00 0.00 O ATOM 86 CB THR A 9 -6.028 4.258 -6.437 1.00 0.00 C ATOM 87 OG1 THR A 9 -6.940 4.147 -7.535 1.00 0.00 O ATOM 88 CG2 THR A 9 -6.805 4.460 -5.144 1.00 0.00 C ATOM 0 H THR A 9 -4.320 4.322 -8.300 1.00 0.00 H new ATOM 0 HA THR A 9 -5.621 6.355 -6.739 1.00 0.00 H new ATOM 0 HB THR A 9 -5.447 3.340 -6.354 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.555 3.401 -7.375 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.487 3.623 -4.995 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.110 4.516 -4.307 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.376 5.387 -5.204 1.00 0.00 H new ATOM 96 N THR A 10 -4.059 6.653 -4.837 1.00 0.00 N ATOM 97 CA THR A 10 -3.170 6.858 -3.701 1.00 0.00 C ATOM 98 C THR A 10 -3.946 6.858 -2.388 1.00 0.00 C ATOM 99 O THR A 10 -4.981 7.513 -2.268 1.00 0.00 O ATOM 100 CB THR A 10 -2.396 8.184 -3.826 1.00 0.00 C ATOM 101 OG1 THR A 10 -1.722 8.241 -5.088 1.00 0.00 O ATOM 102 CG2 THR A 10 -1.384 8.328 -2.699 1.00 0.00 C ATOM 0 H THR A 10 -4.651 7.453 -5.059 1.00 0.00 H new ATOM 0 HA THR A 10 -2.461 6.030 -3.701 1.00 0.00 H new ATOM 0 HB THR A 10 -3.111 9.004 -3.759 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.234 9.088 -5.160 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.850 9.272 -2.808 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.903 8.313 -1.740 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.674 7.502 -2.740 1.00 0.00 H new ATOM 110 N ALA A 11 -3.439 6.120 -1.407 1.00 0.00 N ATOM 111 CA ALA A 11 -4.083 6.037 -0.102 1.00 0.00 C ATOM 112 C ALA A 11 -3.098 6.356 1.018 1.00 0.00 C ATOM 113 O ALA A 11 -1.936 5.953 0.968 1.00 0.00 O ATOM 114 CB ALA A 11 -4.688 4.656 0.101 1.00 0.00 C ATOM 0 H ALA A 11 -2.584 5.571 -1.491 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.881 6.779 -0.070 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.166 4.608 1.080 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.430 4.466 -0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.902 3.903 0.044 1.00 0.00 H new ATOM 120 N ILE A 12 -3.571 7.080 2.027 1.00 0.00 N ATOM 121 CA ILE A 12 -2.731 7.452 3.159 1.00 0.00 C ATOM 122 C ILE A 12 -3.187 6.751 4.434 1.00 0.00 C ATOM 123 O ILE A 12 -4.382 6.677 4.721 1.00 0.00 O ATOM 124 CB ILE A 12 -2.741 8.974 3.391 1.00 0.00 C ATOM 125 CG1 ILE A 12 -2.634 9.716 2.057 1.00 0.00 C ATOM 126 CG2 ILE A 12 -1.605 9.376 4.319 1.00 0.00 C ATOM 127 CD1 ILE A 12 -1.381 9.382 1.279 1.00 0.00 C ATOM 0 H ILE A 12 -4.531 7.420 2.084 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.716 7.137 2.917 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.684 9.248 3.863 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.505 9.477 1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.660 10.789 2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.626 10.455 4.473 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.722 8.870 5.277 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.652 9.091 3.872 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.372 9.944 0.345 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.504 9.647 1.870 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.362 8.314 1.060 1.00 0.00 H new ATOM 139 N ILE A 13 -2.226 6.241 5.197 1.00 0.00 N ATOM 140 CA ILE A 13 -2.528 5.549 6.444 1.00 0.00 C ATOM 141 C ILE A 13 -2.032 6.343 7.648 1.00 0.00 C ATOM 142 O ILE A 13 -0.950 6.930 7.614 1.00 0.00 O ATOM 143 CB ILE A 13 -1.899 4.143 6.475 1.00 0.00 C ATOM 144 CG1 ILE A 13 -2.355 3.330 5.262 1.00 0.00 C ATOM 145 CG2 ILE A 13 -2.264 3.428 7.767 1.00 0.00 C ATOM 146 CD1 ILE A 13 -3.846 3.079 5.229 1.00 0.00 C ATOM 0 H ILE A 13 -1.232 6.294 4.974 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.613 5.454 6.497 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.815 4.245 6.433 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.063 3.855 4.352 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.833 2.373 5.259 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -1.812 2.436 7.774 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.894 4.001 8.617 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.348 3.334 7.837 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.097 2.497 4.342 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.142 2.527 6.121 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.375 4.032 5.200 1.00 0.00 H new ATOM 158 N HIS A 14 -2.828 6.354 8.712 1.00 0.00 N ATOM 159 CA HIS A 14 -2.469 7.074 9.928 1.00 0.00 C ATOM 160 C HIS A 14 -2.106 6.102 11.047 1.00 0.00 C ATOM 161 O HIS A 14 -2.983 5.519 11.684 1.00 0.00 O ATOM 162 CB HIS A 14 -3.621 7.975 10.373 1.00 0.00 C ATOM 163 CG HIS A 14 -3.659 9.294 9.664 1.00 0.00 C ATOM 164 ND1 HIS A 14 -2.626 10.206 9.717 1.00 0.00 N ATOM 165 CD2 HIS A 14 -4.612 9.852 8.882 1.00 0.00 C ATOM 166 CE1 HIS A 14 -2.943 11.269 8.999 1.00 0.00 C ATOM 167 NE2 HIS A 14 -4.143 11.078 8.481 1.00 0.00 N ATOM 0 H HIS A 14 -3.726 5.872 8.757 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.598 7.693 9.710 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.564 7.455 10.205 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.540 8.151 11.446 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -5.564 9.414 8.622 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.326 12.145 8.859 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -4.641 11.735 7.880 1.00 0.00 H new ATOM 175 N ARG A 15 -0.808 5.933 11.280 1.00 0.00 N ATOM 176 CA ARG A 15 -0.330 5.031 12.320 1.00 0.00 C ATOM 177 C ARG A 15 0.297 5.812 13.472 1.00 0.00 C ATOM 178 O ARG A 15 1.515 5.963 13.562 1.00 0.00 O ATOM 179 CB ARG A 15 0.690 4.047 11.743 1.00 0.00 C ATOM 180 CG ARG A 15 0.273 3.452 10.408 1.00 0.00 C ATOM 181 CD ARG A 15 1.125 2.246 10.045 1.00 0.00 C ATOM 182 NE ARG A 15 2.549 2.500 10.252 1.00 0.00 N ATOM 183 CZ ARG A 15 3.186 2.230 11.386 1.00 0.00 C ATOM 184 NH1 ARG A 15 2.530 1.701 12.410 1.00 0.00 N ATOM 185 NH2 ARG A 15 4.483 2.489 11.497 1.00 0.00 N ATOM 0 H ARG A 15 -0.069 6.409 10.762 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.185 4.475 12.704 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.646 4.557 11.622 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.848 3.239 12.458 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.776 3.158 10.451 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.360 4.208 9.628 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.818 1.391 10.647 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.952 1.980 9.002 1.00 0.00 H new ATOM 0 HE ARG A 15 3.083 2.907 9.484 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.533 1.500 12.328 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.022 1.495 13.279 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.991 2.896 10.711 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.972 2.282 12.368 1.00 0.00 H new ATOM 199 N PRO A 16 -0.555 6.322 14.374 1.00 0.00 N ATOM 200 CA PRO A 16 -0.108 7.097 15.535 1.00 0.00 C ATOM 201 C PRO A 16 0.617 6.234 16.563 1.00 0.00 C ATOM 202 O PRO A 16 1.222 6.748 17.504 1.00 0.00 O ATOM 203 CB PRO A 16 -1.412 7.643 16.121 1.00 0.00 C ATOM 204 CG PRO A 16 -2.459 6.680 15.679 1.00 0.00 C ATOM 205 CD PRO A 16 -2.020 6.182 14.329 1.00 0.00 C ATOM 0 HA PRO A 16 0.607 7.871 15.257 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.363 7.703 17.208 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.620 8.649 15.756 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.555 5.856 16.386 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.434 7.164 15.618 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.320 5.147 14.165 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.455 6.771 13.522 1.00 0.00 H new ATOM 213 N HIS A 17 0.553 4.919 16.376 1.00 0.00 N ATOM 214 CA HIS A 17 1.204 3.985 17.287 1.00 0.00 C ATOM 215 C HIS A 17 1.916 2.879 16.513 1.00 0.00 C ATOM 216 O HIS A 17 1.477 2.481 15.435 1.00 0.00 O ATOM 217 CB HIS A 17 0.180 3.375 18.244 1.00 0.00 C ATOM 218 CG HIS A 17 0.740 3.056 19.596 1.00 0.00 C ATOM 219 ND1 HIS A 17 0.924 1.767 20.049 1.00 0.00 N ATOM 220 CD2 HIS A 17 1.159 3.868 20.595 1.00 0.00 C ATOM 221 CE1 HIS A 17 1.430 1.799 21.269 1.00 0.00 C ATOM 222 NE2 HIS A 17 1.583 3.063 21.624 1.00 0.00 N ATOM 0 H HIS A 17 0.057 4.477 15.602 1.00 0.00 H new ATOM 0 HA HIS A 17 1.946 4.537 17.864 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.654 4.067 18.359 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.221 2.463 17.801 1.00 0.00 H new ATOM 0 HD2 HIS A 17 1.160 4.948 20.585 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.677 0.939 21.873 1.00 0.00 H new ATOM 0 HE2 HIS A 17 1.955 3.388 22.516 1.00 0.00 H new ATOM 230 N ALA A 18 3.018 2.388 17.071 1.00 0.00 N ATOM 231 CA ALA A 18 3.790 1.328 16.434 1.00 0.00 C ATOM 232 C ALA A 18 3.291 -0.047 16.864 1.00 0.00 C ATOM 233 O ALA A 18 3.334 -1.003 16.089 1.00 0.00 O ATOM 234 CB ALA A 18 5.268 1.482 16.761 1.00 0.00 C ATOM 0 H ALA A 18 3.396 2.707 17.963 1.00 0.00 H new ATOM 0 HA ALA A 18 3.658 1.413 15.355 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.832 0.684 16.279 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.622 2.447 16.398 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.410 1.426 17.840 1.00 0.00 H new ATOM 240 N ARG A 19 2.820 -0.141 18.103 1.00 0.00 N ATOM 241 CA ARG A 19 2.316 -1.400 18.636 1.00 0.00 C ATOM 242 C ARG A 19 0.859 -1.615 18.236 1.00 0.00 C ATOM 243 O ARG A 19 0.099 -2.266 18.952 1.00 0.00 O ATOM 244 CB ARG A 19 2.446 -1.423 20.160 1.00 0.00 C ATOM 245 CG ARG A 19 3.885 -1.461 20.648 1.00 0.00 C ATOM 246 CD ARG A 19 3.987 -2.074 22.035 1.00 0.00 C ATOM 247 NE ARG A 19 3.668 -3.499 22.029 1.00 0.00 N ATOM 248 CZ ARG A 19 4.547 -4.448 21.724 1.00 0.00 C ATOM 249 NH1 ARG A 19 5.792 -4.124 21.403 1.00 0.00 N ATOM 250 NH2 ARG A 19 4.181 -5.723 21.740 1.00 0.00 N ATOM 0 H ARG A 19 2.777 0.641 18.757 1.00 0.00 H new ATOM 0 HA ARG A 19 2.914 -2.208 18.215 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.955 -0.541 20.571 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.916 -2.293 20.548 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.492 -2.036 19.949 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.291 -0.450 20.665 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.996 -1.930 22.421 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.309 -1.554 22.712 1.00 0.00 H new ATOM 0 HE ARG A 19 2.719 -3.781 22.272 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.077 -3.145 21.390 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.465 -4.854 21.169 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.224 -5.976 21.987 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.856 -6.450 21.506 1.00 0.00 H new ATOM 264 N GLU A 20 0.478 -1.064 17.088 1.00 0.00 N ATOM 265 CA GLU A 20 -0.888 -1.194 16.594 1.00 0.00 C ATOM 266 C GLU A 20 -0.912 -1.898 15.240 1.00 0.00 C ATOM 267 O GLU A 20 -0.145 -1.558 14.340 1.00 0.00 O ATOM 268 CB GLU A 20 -1.545 0.182 16.478 1.00 0.00 C ATOM 269 CG GLU A 20 -2.036 0.737 17.805 1.00 0.00 C ATOM 270 CD GLU A 20 -3.327 0.089 18.266 1.00 0.00 C ATOM 271 OE1 GLU A 20 -3.311 -1.127 18.552 1.00 0.00 O ATOM 272 OE2 GLU A 20 -4.353 0.796 18.340 1.00 0.00 O ATOM 0 H GLU A 20 1.096 -0.523 16.483 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.450 -1.797 17.307 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.830 0.881 16.044 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.386 0.116 15.788 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.268 0.588 18.564 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.187 1.812 17.711 1.00 0.00 H new ATOM 279 N GLN A 21 -1.798 -2.879 15.105 1.00 0.00 N ATOM 280 CA GLN A 21 -1.921 -3.631 13.862 1.00 0.00 C ATOM 281 C GLN A 21 -2.138 -2.695 12.679 1.00 0.00 C ATOM 282 O GLN A 21 -2.215 -1.476 12.843 1.00 0.00 O ATOM 283 CB GLN A 21 -3.077 -4.629 13.958 1.00 0.00 C ATOM 284 CG GLN A 21 -2.801 -5.792 14.897 1.00 0.00 C ATOM 285 CD GLN A 21 -2.109 -6.949 14.205 1.00 0.00 C ATOM 286 OE1 GLN A 21 -2.175 -7.086 12.983 1.00 0.00 O ATOM 287 NE2 GLN A 21 -1.438 -7.789 14.984 1.00 0.00 N ATOM 0 H GLN A 21 -2.441 -3.172 15.841 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.991 -4.177 13.703 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.971 -4.105 14.295 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.292 -5.019 12.963 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.182 -5.446 15.725 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.741 -6.139 15.325 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.410 -7.637 15.992 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -0.951 -8.586 14.574 1.00 0.00 H new ATOM 296 N LEU A 22 -2.237 -3.270 11.485 1.00 0.00 N ATOM 297 CA LEU A 22 -2.445 -2.487 10.273 1.00 0.00 C ATOM 298 C LEU A 22 -3.867 -2.661 9.749 1.00 0.00 C ATOM 299 O LEU A 22 -4.533 -1.688 9.398 1.00 0.00 O ATOM 300 CB LEU A 22 -1.439 -2.899 9.197 1.00 0.00 C ATOM 301 CG LEU A 22 -0.112 -2.138 9.191 1.00 0.00 C ATOM 302 CD1 LEU A 22 0.742 -2.564 8.007 1.00 0.00 C ATOM 303 CD2 LEU A 22 -0.359 -0.637 9.161 1.00 0.00 C ATOM 0 H LEU A 22 -2.176 -4.276 11.331 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.294 -1.436 10.519 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.225 -3.961 9.316 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.910 -2.776 8.222 1.00 0.00 H new ATOM 0 HG LEU A 22 0.428 -2.379 10.107 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.682 -2.012 8.019 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.948 -3.632 8.072 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.209 -2.353 7.080 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.596 -0.111 9.157 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.919 -0.378 8.263 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.931 -0.345 10.042 1.00 0.00 H new ATOM 315 N GLY A 23 -4.326 -3.908 9.702 1.00 0.00 N ATOM 316 CA GLY A 23 -5.667 -4.186 9.223 1.00 0.00 C ATOM 317 C GLY A 23 -5.670 -4.835 7.852 1.00 0.00 C ATOM 318 O GLY A 23 -6.415 -5.784 7.608 1.00 0.00 O ATOM 0 H GLY A 23 -3.793 -4.730 9.987 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.175 -4.840 9.932 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.235 -3.257 9.183 1.00 0.00 H new ATOM 322 N PHE A 24 -4.836 -4.321 6.955 1.00 0.00 N ATOM 323 CA PHE A 24 -4.746 -4.854 5.601 1.00 0.00 C ATOM 324 C PHE A 24 -3.666 -5.928 5.509 1.00 0.00 C ATOM 325 O PHE A 24 -2.586 -5.787 6.083 1.00 0.00 O ATOM 326 CB PHE A 24 -4.450 -3.730 4.606 1.00 0.00 C ATOM 327 CG PHE A 24 -3.134 -3.047 4.847 1.00 0.00 C ATOM 328 CD1 PHE A 24 -3.006 -2.094 5.845 1.00 0.00 C ATOM 329 CD2 PHE A 24 -2.025 -3.359 4.077 1.00 0.00 C ATOM 330 CE1 PHE A 24 -1.796 -1.464 6.069 1.00 0.00 C ATOM 331 CE2 PHE A 24 -0.813 -2.732 4.297 1.00 0.00 C ATOM 332 CZ PHE A 24 -0.698 -1.784 5.295 1.00 0.00 C ATOM 0 H PHE A 24 -4.212 -3.536 7.141 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.706 -5.307 5.352 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.458 -4.139 3.596 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.249 -2.990 4.657 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.861 -1.841 6.454 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.109 -4.100 3.296 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.709 -0.722 6.849 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.044 -2.983 3.689 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.249 -1.294 5.470 1.00 0.00 H new ATOM 342 N CYS A 25 -3.967 -7.000 4.785 1.00 0.00 N ATOM 343 CA CYS A 25 -3.023 -8.100 4.618 1.00 0.00 C ATOM 344 C CYS A 25 -2.390 -8.068 3.231 1.00 0.00 C ATOM 345 O CYS A 25 -3.083 -8.165 2.218 1.00 0.00 O ATOM 346 CB CYS A 25 -3.724 -9.440 4.842 1.00 0.00 C ATOM 347 SG CYS A 25 -2.609 -10.792 5.288 1.00 0.00 S ATOM 0 H CYS A 25 -4.857 -7.131 4.304 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.233 -7.984 5.360 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.467 -9.322 5.630 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.263 -9.712 3.934 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.296 -11.883 5.459 1.00 0.00 H new ATOM 353 N VAL A 26 -1.068 -7.928 3.192 1.00 0.00 N ATOM 354 CA VAL A 26 -0.341 -7.883 1.929 1.00 0.00 C ATOM 355 C VAL A 26 0.315 -9.225 1.624 1.00 0.00 C ATOM 356 O VAL A 26 0.973 -9.814 2.481 1.00 0.00 O ATOM 357 CB VAL A 26 0.740 -6.786 1.943 1.00 0.00 C ATOM 358 CG1 VAL A 26 1.586 -6.854 0.681 1.00 0.00 C ATOM 359 CG2 VAL A 26 0.103 -5.413 2.094 1.00 0.00 C ATOM 0 H VAL A 26 -0.479 -7.844 4.021 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.070 -7.654 1.152 1.00 0.00 H new ATOM 0 HB VAL A 26 1.393 -6.955 2.799 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.344 -6.071 0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.072 -7.828 0.621 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.949 -6.711 -0.192 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.881 -4.650 2.102 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.574 -5.232 1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.455 -5.372 3.029 1.00 0.00 H new ATOM 369 N GLU A 27 0.132 -9.702 0.397 1.00 0.00 N ATOM 370 CA GLU A 27 0.707 -10.975 -0.021 1.00 0.00 C ATOM 371 C GLU A 27 1.550 -10.804 -1.281 1.00 0.00 C ATOM 372 O GLU A 27 1.029 -10.484 -2.351 1.00 0.00 O ATOM 373 CB GLU A 27 -0.400 -12.002 -0.270 1.00 0.00 C ATOM 374 CG GLU A 27 -1.001 -12.570 1.005 1.00 0.00 C ATOM 375 CD GLU A 27 -1.551 -13.971 0.817 1.00 0.00 C ATOM 376 OE1 GLU A 27 -1.083 -14.672 -0.105 1.00 0.00 O ATOM 377 OE2 GLU A 27 -2.448 -14.365 1.590 1.00 0.00 O ATOM 0 H GLU A 27 -0.410 -9.226 -0.325 1.00 0.00 H new ATOM 0 HA GLU A 27 1.352 -11.334 0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.191 -11.536 -0.858 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.002 -12.820 -0.868 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.241 -12.584 1.786 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.800 -11.913 1.350 1.00 0.00 H new ATOM 384 N ASP A 28 2.854 -11.018 -1.147 1.00 0.00 N ATOM 385 CA ASP A 28 3.770 -10.889 -2.274 1.00 0.00 C ATOM 386 C ASP A 28 3.682 -9.495 -2.888 1.00 0.00 C ATOM 387 O ASP A 28 3.923 -9.315 -4.081 1.00 0.00 O ATOM 388 CB ASP A 28 3.461 -11.947 -3.334 1.00 0.00 C ATOM 389 CG ASP A 28 4.139 -13.272 -3.044 1.00 0.00 C ATOM 390 OD1 ASP A 28 5.262 -13.257 -2.499 1.00 0.00 O ATOM 391 OD2 ASP A 28 3.546 -14.324 -3.363 1.00 0.00 O ATOM 0 H ASP A 28 3.301 -11.282 -0.269 1.00 0.00 H new ATOM 0 HA ASP A 28 4.784 -11.041 -1.905 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.383 -12.098 -3.389 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.782 -11.584 -4.310 1.00 0.00 H new ATOM 396 N GLY A 29 3.335 -8.511 -2.064 1.00 0.00 N ATOM 397 CA GLY A 29 3.221 -7.147 -2.544 1.00 0.00 C ATOM 398 C GLY A 29 1.845 -6.842 -3.104 1.00 0.00 C ATOM 399 O GLY A 29 1.672 -5.883 -3.856 1.00 0.00 O ATOM 0 H GLY A 29 3.131 -8.635 -1.072 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.438 -6.458 -1.727 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.971 -6.973 -3.316 1.00 0.00 H new ATOM 403 N ILE A 30 0.865 -7.662 -2.738 1.00 0.00 N ATOM 404 CA ILE A 30 -0.502 -7.475 -3.209 1.00 0.00 C ATOM 405 C ILE A 30 -1.507 -7.721 -2.089 1.00 0.00 C ATOM 406 O ILE A 30 -1.592 -8.824 -1.549 1.00 0.00 O ATOM 407 CB ILE A 30 -0.824 -8.412 -4.388 1.00 0.00 C ATOM 408 CG1 ILE A 30 0.129 -8.146 -5.555 1.00 0.00 C ATOM 409 CG2 ILE A 30 -2.270 -8.235 -4.826 1.00 0.00 C ATOM 410 CD1 ILE A 30 -0.141 -9.011 -6.765 1.00 0.00 C ATOM 0 H ILE A 30 0.992 -8.461 -2.117 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.582 -6.441 -3.545 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.688 -9.443 -4.061 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.053 -7.098 -5.844 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.154 -8.311 -5.222 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.482 -8.904 -5.660 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.934 -8.471 -3.994 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.432 -7.203 -5.138 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.572 -8.768 -7.553 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.036 -10.061 -6.492 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.154 -8.829 -7.124 1.00 0.00 H new ATOM 422 N ILE A 31 -2.268 -6.687 -1.747 1.00 0.00 N ATOM 423 CA ILE A 31 -3.270 -6.791 -0.694 1.00 0.00 C ATOM 424 C ILE A 31 -4.375 -7.769 -1.081 1.00 0.00 C ATOM 425 O ILE A 31 -4.832 -7.784 -2.225 1.00 0.00 O ATOM 426 CB ILE A 31 -3.900 -5.422 -0.378 1.00 0.00 C ATOM 427 CG1 ILE A 31 -2.808 -4.376 -0.142 1.00 0.00 C ATOM 428 CG2 ILE A 31 -4.813 -5.526 0.835 1.00 0.00 C ATOM 429 CD1 ILE A 31 -3.227 -2.971 -0.515 1.00 0.00 C ATOM 0 H ILE A 31 -2.210 -5.767 -2.184 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.756 -7.159 0.194 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.499 -5.108 -1.233 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.520 -4.394 0.909 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.924 -4.648 -0.719 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.251 -4.550 1.046 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.608 -6.244 0.632 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.236 -5.858 1.698 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.404 -2.283 -0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.487 -2.938 -1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.092 -2.679 0.081 1.00 0.00 H new ATOM 441 N CYS A 32 -4.800 -8.583 -0.122 1.00 0.00 N ATOM 442 CA CYS A 32 -5.852 -9.564 -0.361 1.00 0.00 C ATOM 443 C CYS A 32 -7.058 -9.298 0.534 1.00 0.00 C ATOM 444 O CYS A 32 -8.198 -9.288 0.071 1.00 0.00 O ATOM 445 CB CYS A 32 -5.324 -10.979 -0.120 1.00 0.00 C ATOM 446 SG CYS A 32 -6.131 -12.249 -1.122 1.00 0.00 S ATOM 0 H CYS A 32 -4.432 -8.583 0.829 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.168 -9.475 -1.400 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.254 -10.996 -0.325 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.451 -11.228 0.934 1.00 0.00 H new ATOM 0 HG CYS A 32 -5.615 -13.410 -0.849 1.00 0.00 H new ATOM 452 N SER A 33 -6.798 -9.085 1.820 1.00 0.00 N ATOM 453 CA SER A 33 -7.862 -8.825 2.783 1.00 0.00 C ATOM 454 C SER A 33 -7.645 -7.487 3.484 1.00 0.00 C ATOM 455 O SER A 33 -6.512 -7.028 3.634 1.00 0.00 O ATOM 456 CB SER A 33 -7.930 -9.951 3.817 1.00 0.00 C ATOM 457 OG SER A 33 -6.700 -10.082 4.509 1.00 0.00 O ATOM 0 H SER A 33 -5.859 -9.087 2.219 1.00 0.00 H new ATOM 0 HA SER A 33 -8.807 -8.782 2.241 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.731 -9.749 4.528 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.174 -10.890 3.321 1.00 0.00 H new ATOM 0 HG SER A 33 -6.769 -10.807 5.165 1.00 0.00 H new ATOM 463 N LEU A 34 -8.739 -6.867 3.912 1.00 0.00 N ATOM 464 CA LEU A 34 -8.670 -5.581 4.598 1.00 0.00 C ATOM 465 C LEU A 34 -9.535 -5.588 5.854 1.00 0.00 C ATOM 466 O LEU A 34 -10.701 -5.985 5.816 1.00 0.00 O ATOM 467 CB LEU A 34 -9.117 -4.457 3.662 1.00 0.00 C ATOM 468 CG LEU A 34 -8.489 -3.086 3.912 1.00 0.00 C ATOM 469 CD1 LEU A 34 -8.712 -2.171 2.718 1.00 0.00 C ATOM 470 CD2 LEU A 34 -9.057 -2.461 5.178 1.00 0.00 C ATOM 0 H LEU A 34 -9.684 -7.233 3.796 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.635 -5.409 4.893 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.895 -4.755 2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.200 -4.358 3.737 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.416 -3.219 4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.258 -1.200 2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.256 -2.612 1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.782 -2.045 2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.598 -1.486 5.340 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.135 -2.342 5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.845 -3.107 6.030 1.00 0.00 H new ATOM 482 N LEU A 35 -8.959 -5.143 6.965 1.00 0.00 N ATOM 483 CA LEU A 35 -9.678 -5.095 8.234 1.00 0.00 C ATOM 484 C LEU A 35 -10.747 -4.007 8.213 1.00 0.00 C ATOM 485 O LEU A 35 -10.434 -2.816 8.192 1.00 0.00 O ATOM 486 CB LEU A 35 -8.704 -4.846 9.386 1.00 0.00 C ATOM 487 CG LEU A 35 -9.326 -4.725 10.777 1.00 0.00 C ATOM 488 CD1 LEU A 35 -9.651 -6.101 11.338 1.00 0.00 C ATOM 489 CD2 LEU A 35 -8.394 -3.971 11.715 1.00 0.00 C ATOM 0 H LEU A 35 -7.996 -4.810 7.013 1.00 0.00 H new ATOM 0 HA LEU A 35 -10.168 -6.057 8.382 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.978 -5.659 9.404 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.151 -3.930 9.176 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.255 -4.162 10.690 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.093 -5.995 12.329 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.357 -6.606 10.678 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.737 -6.690 11.410 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.853 -3.895 12.700 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.448 -4.507 11.796 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.212 -2.971 11.321 1.00 0.00 H new ATOM 501 N ARG A 36 -12.009 -4.424 8.221 1.00 0.00 N ATOM 502 CA ARG A 36 -13.124 -3.485 8.203 1.00 0.00 C ATOM 503 C ARG A 36 -13.249 -2.765 9.543 1.00 0.00 C ATOM 504 O ARG A 36 -13.550 -3.381 10.565 1.00 0.00 O ATOM 505 CB ARG A 36 -14.429 -4.215 7.881 1.00 0.00 C ATOM 506 CG ARG A 36 -15.625 -3.289 7.735 1.00 0.00 C ATOM 507 CD ARG A 36 -16.880 -4.057 7.348 1.00 0.00 C ATOM 508 NE ARG A 36 -17.261 -5.031 8.367 1.00 0.00 N ATOM 509 CZ ARG A 36 -18.277 -5.876 8.232 1.00 0.00 C ATOM 510 NH1 ARG A 36 -19.009 -5.867 7.126 1.00 0.00 N ATOM 511 NH2 ARG A 36 -18.562 -6.734 9.203 1.00 0.00 N ATOM 0 H ARG A 36 -12.285 -5.406 8.240 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.930 -2.744 7.428 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.302 -4.778 6.957 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.635 -4.939 8.670 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -15.795 -2.761 8.674 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -15.412 -2.534 6.979 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -17.700 -3.356 7.192 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -16.714 -4.570 6.401 1.00 0.00 H new ATOM 0 HE ARG A 36 -16.717 -5.064 9.229 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -18.792 -5.210 6.376 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -19.789 -6.517 7.025 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -18.001 -6.745 10.055 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -19.342 -7.382 9.098 1.00 0.00 H new ATOM 525 N GLY A 37 -13.015 -1.456 9.530 1.00 0.00 N ATOM 526 CA GLY A 37 -13.105 -0.674 10.749 1.00 0.00 C ATOM 527 C GLY A 37 -11.755 -0.465 11.405 1.00 0.00 C ATOM 528 O GLY A 37 -11.644 -0.479 12.630 1.00 0.00 O ATOM 0 H GLY A 37 -12.765 -0.923 8.697 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.550 0.295 10.523 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.772 -1.175 11.450 1.00 0.00 H new ATOM 532 N GLY A 38 -10.725 -0.271 10.587 1.00 0.00 N ATOM 533 CA GLY A 38 -9.389 -0.063 11.114 1.00 0.00 C ATOM 534 C GLY A 38 -8.741 1.195 10.572 1.00 0.00 C ATOM 535 O GLY A 38 -9.387 2.239 10.470 1.00 0.00 O ATOM 0 H GLY A 38 -10.792 -0.254 9.569 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.436 -0.004 12.201 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.767 -0.923 10.868 1.00 0.00 H new ATOM 539 N ILE A 39 -7.462 1.098 10.225 1.00 0.00 N ATOM 540 CA ILE A 39 -6.727 2.238 9.691 1.00 0.00 C ATOM 541 C ILE A 39 -6.696 2.208 8.167 1.00 0.00 C ATOM 542 O ILE A 39 -6.860 3.236 7.512 1.00 0.00 O ATOM 543 CB ILE A 39 -5.282 2.275 10.222 1.00 0.00 C ATOM 544 CG1 ILE A 39 -5.242 1.835 11.687 1.00 0.00 C ATOM 545 CG2 ILE A 39 -4.696 3.671 10.067 1.00 0.00 C ATOM 546 CD1 ILE A 39 -3.840 1.648 12.224 1.00 0.00 C ATOM 0 H ILE A 39 -6.913 0.242 10.304 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.251 3.134 10.023 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.678 1.581 9.637 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.759 2.577 12.295 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.790 0.899 11.792 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.674 3.681 10.447 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.694 3.950 9.013 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.299 4.383 10.630 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.889 1.336 13.267 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.326 0.884 11.641 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.294 2.589 12.152 1.00 0.00 H new ATOM 558 N ALA A 40 -6.486 1.020 7.609 1.00 0.00 N ATOM 559 CA ALA A 40 -6.438 0.854 6.162 1.00 0.00 C ATOM 560 C ALA A 40 -7.714 1.371 5.507 1.00 0.00 C ATOM 561 O ALA A 40 -7.688 2.352 4.764 1.00 0.00 O ATOM 562 CB ALA A 40 -6.215 -0.608 5.805 1.00 0.00 C ATOM 0 H ALA A 40 -6.346 0.159 8.137 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.602 1.441 5.782 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.181 -0.717 4.721 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.272 -0.947 6.233 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.032 -1.209 6.205 1.00 0.00 H new ATOM 568 N GLU A 41 -8.830 0.704 5.787 1.00 0.00 N ATOM 569 CA GLU A 41 -10.116 1.097 5.223 1.00 0.00 C ATOM 570 C GLU A 41 -10.321 2.605 5.333 1.00 0.00 C ATOM 571 O GLU A 41 -10.808 3.246 4.401 1.00 0.00 O ATOM 572 CB GLU A 41 -11.255 0.363 5.934 1.00 0.00 C ATOM 573 CG GLU A 41 -12.514 0.234 5.093 1.00 0.00 C ATOM 574 CD GLU A 41 -13.285 1.536 4.992 1.00 0.00 C ATOM 575 OE1 GLU A 41 -13.091 2.408 5.865 1.00 0.00 O ATOM 576 OE2 GLU A 41 -14.081 1.683 4.042 1.00 0.00 O ATOM 0 H GLU A 41 -8.869 -0.110 6.400 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.120 0.824 4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.914 -0.633 6.217 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.497 0.891 6.856 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.245 -0.103 4.092 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -13.158 -0.532 5.525 1.00 0.00 H new ATOM 583 N ARG A 42 -9.945 3.165 6.478 1.00 0.00 N ATOM 584 CA ARG A 42 -10.088 4.597 6.712 1.00 0.00 C ATOM 585 C ARG A 42 -9.144 5.392 5.814 1.00 0.00 C ATOM 586 O ARG A 42 -9.515 6.432 5.273 1.00 0.00 O ATOM 587 CB ARG A 42 -9.811 4.926 8.180 1.00 0.00 C ATOM 588 CG ARG A 42 -11.020 4.743 9.083 1.00 0.00 C ATOM 589 CD ARG A 42 -10.734 5.221 10.499 1.00 0.00 C ATOM 590 NE ARG A 42 -11.957 5.369 11.283 1.00 0.00 N ATOM 591 CZ ARG A 42 -11.967 5.596 12.592 1.00 0.00 C ATOM 592 NH1 ARG A 42 -10.826 5.701 13.259 1.00 0.00 N ATOM 593 NH2 ARG A 42 -13.121 5.719 13.236 1.00 0.00 N ATOM 0 H ARG A 42 -9.539 2.649 7.258 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.113 4.878 6.471 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.000 4.292 8.539 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.466 5.957 8.254 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.867 5.295 8.675 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.305 3.691 9.103 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.070 4.513 10.994 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.210 6.176 10.461 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.852 5.294 10.800 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.937 5.608 12.767 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.837 5.875 14.264 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.001 5.639 12.726 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.128 5.893 14.241 1.00 0.00 H new ATOM 607 N GLY A 43 -7.921 4.893 5.662 1.00 0.00 N ATOM 608 CA GLY A 43 -6.943 5.569 4.830 1.00 0.00 C ATOM 609 C GLY A 43 -7.350 5.608 3.370 1.00 0.00 C ATOM 610 O GLY A 43 -7.278 6.653 2.725 1.00 0.00 O ATOM 0 H GLY A 43 -7.590 4.033 6.100 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.804 6.588 5.192 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.981 5.064 4.922 1.00 0.00 H new ATOM 614 N GLY A 44 -7.779 4.463 2.847 1.00 0.00 N ATOM 615 CA GLY A 44 -8.192 4.391 1.457 1.00 0.00 C ATOM 616 C GLY A 44 -7.606 3.191 0.740 1.00 0.00 C ATOM 617 O GLY A 44 -7.376 3.234 -0.469 1.00 0.00 O ATOM 0 H GLY A 44 -7.848 3.584 3.361 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.280 4.345 1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.887 5.302 0.943 1.00 0.00 H new ATOM 621 N ILE A 45 -7.363 2.119 1.485 1.00 0.00 N ATOM 622 CA ILE A 45 -6.801 0.902 0.913 1.00 0.00 C ATOM 623 C ILE A 45 -7.898 -0.013 0.379 1.00 0.00 C ATOM 624 O ILE A 45 -8.960 -0.144 0.986 1.00 0.00 O ATOM 625 CB ILE A 45 -5.961 0.129 1.947 1.00 0.00 C ATOM 626 CG1 ILE A 45 -4.783 0.983 2.421 1.00 0.00 C ATOM 627 CG2 ILE A 45 -5.468 -1.183 1.355 1.00 0.00 C ATOM 628 CD1 ILE A 45 -3.577 0.906 1.510 1.00 0.00 C ATOM 0 H ILE A 45 -7.547 2.068 2.487 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.156 1.210 0.090 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.590 -0.098 2.808 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.105 2.022 2.498 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.493 0.664 3.422 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.876 -1.718 2.098 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.322 -1.794 1.063 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.852 -0.978 0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.780 1.535 1.907 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.230 -0.126 1.453 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.851 1.253 0.514 1.00 0.00 H new ATOM 640 N ARG A 46 -7.632 -0.644 -0.760 1.00 0.00 N ATOM 641 CA ARG A 46 -8.596 -1.548 -1.375 1.00 0.00 C ATOM 642 C ARG A 46 -7.930 -2.859 -1.782 1.00 0.00 C ATOM 643 O ARG A 46 -6.969 -2.867 -2.551 1.00 0.00 O ATOM 644 CB ARG A 46 -9.237 -0.888 -2.598 1.00 0.00 C ATOM 645 CG ARG A 46 -10.351 0.086 -2.250 1.00 0.00 C ATOM 646 CD ARG A 46 -11.686 -0.627 -2.097 1.00 0.00 C ATOM 647 NE ARG A 46 -12.811 0.242 -2.429 1.00 0.00 N ATOM 648 CZ ARG A 46 -14.078 -0.066 -2.175 1.00 0.00 C ATOM 649 NH1 ARG A 46 -14.379 -1.217 -1.588 1.00 0.00 N ATOM 650 NH2 ARG A 46 -15.047 0.777 -2.507 1.00 0.00 N ATOM 0 H ARG A 46 -6.757 -0.546 -1.275 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.371 -1.767 -0.640 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.467 -0.360 -3.161 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.635 -1.664 -3.252 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.106 0.605 -1.323 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.429 0.844 -3.029 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.704 -1.506 -2.742 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.792 -0.982 -1.072 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.613 1.135 -2.881 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.637 -1.868 -1.331 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.353 -1.451 -1.394 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.820 1.663 -2.958 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.019 0.539 -2.311 1.00 0.00 H new ATOM 664 N VAL A 47 -8.447 -3.967 -1.260 1.00 0.00 N ATOM 665 CA VAL A 47 -7.904 -5.284 -1.569 1.00 0.00 C ATOM 666 C VAL A 47 -7.871 -5.526 -3.074 1.00 0.00 C ATOM 667 O VAL A 47 -8.605 -4.892 -3.831 1.00 0.00 O ATOM 668 CB VAL A 47 -8.724 -6.401 -0.898 1.00 0.00 C ATOM 669 CG1 VAL A 47 -8.871 -6.134 0.593 1.00 0.00 C ATOM 670 CG2 VAL A 47 -10.087 -6.533 -1.561 1.00 0.00 C ATOM 0 H VAL A 47 -9.242 -3.978 -0.621 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.887 -5.306 -1.178 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.192 -7.344 -1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.453 -6.934 1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.884 -6.094 1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.381 -5.182 0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.653 -7.327 -1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.629 -5.592 -1.469 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.957 -6.775 -2.616 1.00 0.00 H new ATOM 680 N GLY A 48 -7.015 -6.449 -3.501 1.00 0.00 N ATOM 681 CA GLY A 48 -6.903 -6.760 -4.914 1.00 0.00 C ATOM 682 C GLY A 48 -5.962 -5.820 -5.642 1.00 0.00 C ATOM 683 O GLY A 48 -5.477 -6.134 -6.729 1.00 0.00 O ATOM 0 H GLY A 48 -6.397 -6.987 -2.894 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.550 -7.785 -5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.890 -6.709 -5.373 1.00 0.00 H new ATOM 687 N HIS A 49 -5.705 -4.662 -5.042 1.00 0.00 N ATOM 688 CA HIS A 49 -4.816 -3.672 -5.641 1.00 0.00 C ATOM 689 C HIS A 49 -3.360 -3.970 -5.296 1.00 0.00 C ATOM 690 O HIS A 49 -3.040 -4.315 -4.158 1.00 0.00 O ATOM 691 CB HIS A 49 -5.188 -2.268 -5.164 1.00 0.00 C ATOM 692 CG HIS A 49 -6.314 -1.652 -5.936 1.00 0.00 C ATOM 693 ND1 HIS A 49 -6.296 -0.347 -6.382 1.00 0.00 N ATOM 694 CD2 HIS A 49 -7.496 -2.171 -6.343 1.00 0.00 C ATOM 695 CE1 HIS A 49 -7.420 -0.089 -7.027 1.00 0.00 C ATOM 696 NE2 HIS A 49 -8.165 -1.180 -7.018 1.00 0.00 N ATOM 0 H HIS A 49 -6.099 -4.386 -4.143 1.00 0.00 H new ATOM 0 HA HIS A 49 -4.932 -3.723 -6.724 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -5.462 -2.312 -4.110 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -4.312 -1.624 -5.239 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.847 -3.177 -6.169 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -7.685 0.853 -7.484 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -9.088 -1.271 -7.443 1.00 0.00 H new ATOM 704 N ARG A 50 -2.483 -3.836 -6.285 1.00 0.00 N ATOM 705 CA ARG A 50 -1.062 -4.093 -6.087 1.00 0.00 C ATOM 706 C ARG A 50 -0.306 -2.794 -5.823 1.00 0.00 C ATOM 707 O ARG A 50 -0.566 -1.773 -6.461 1.00 0.00 O ATOM 708 CB ARG A 50 -0.474 -4.798 -7.310 1.00 0.00 C ATOM 709 CG ARG A 50 1.044 -4.882 -7.294 1.00 0.00 C ATOM 710 CD ARG A 50 1.608 -5.040 -8.697 1.00 0.00 C ATOM 711 NE ARG A 50 1.314 -6.355 -9.260 1.00 0.00 N ATOM 712 CZ ARG A 50 1.572 -6.690 -10.520 1.00 0.00 C ATOM 713 NH1 ARG A 50 2.127 -5.811 -11.342 1.00 0.00 N ATOM 714 NH2 ARG A 50 1.275 -7.907 -10.958 1.00 0.00 N ATOM 0 H ARG A 50 -2.732 -3.551 -7.232 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.954 -4.740 -5.216 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.885 -5.806 -7.370 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.791 -4.271 -8.210 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.454 -3.983 -6.835 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.356 -5.725 -6.678 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.192 -4.268 -9.344 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.687 -4.889 -8.673 1.00 0.00 H new ATOM 0 HE ARG A 50 0.887 -7.055 -8.653 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.357 -4.875 -11.008 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.324 -6.070 -12.309 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.848 -8.586 -10.328 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.473 -8.163 -11.925 1.00 0.00 H new ATOM 728 N ILE A 51 0.628 -2.840 -4.880 1.00 0.00 N ATOM 729 CA ILE A 51 1.421 -1.668 -4.532 1.00 0.00 C ATOM 730 C ILE A 51 2.535 -1.437 -5.548 1.00 0.00 C ATOM 731 O ILE A 51 3.174 -2.383 -6.009 1.00 0.00 O ATOM 732 CB ILE A 51 2.041 -1.803 -3.129 1.00 0.00 C ATOM 733 CG1 ILE A 51 1.006 -2.344 -2.141 1.00 0.00 C ATOM 734 CG2 ILE A 51 2.581 -0.461 -2.657 1.00 0.00 C ATOM 735 CD1 ILE A 51 -0.207 -1.454 -1.988 1.00 0.00 C ATOM 0 H ILE A 51 0.854 -3.677 -4.343 1.00 0.00 H new ATOM 0 HA ILE A 51 0.743 -0.815 -4.539 1.00 0.00 H new ATOM 0 HB ILE A 51 2.870 -2.508 -3.180 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.683 -3.331 -2.471 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.478 -2.472 -1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.016 -0.573 -1.664 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.346 -0.112 -3.351 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.769 0.265 -2.618 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.898 -1.900 -1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.104 -0.473 -1.629 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.703 -1.346 -2.953 1.00 0.00 H new ATOM 747 N ILE A 52 2.764 -0.174 -5.890 1.00 0.00 N ATOM 748 CA ILE A 52 3.803 0.181 -6.849 1.00 0.00 C ATOM 749 C ILE A 52 4.787 1.180 -6.249 1.00 0.00 C ATOM 750 O ILE A 52 5.880 1.382 -6.776 1.00 0.00 O ATOM 751 CB ILE A 52 3.202 0.780 -8.135 1.00 0.00 C ATOM 752 CG1 ILE A 52 2.293 1.963 -7.796 1.00 0.00 C ATOM 753 CG2 ILE A 52 2.432 -0.283 -8.904 1.00 0.00 C ATOM 754 CD1 ILE A 52 1.903 2.789 -9.002 1.00 0.00 C ATOM 0 H ILE A 52 2.244 0.621 -5.517 1.00 0.00 H new ATOM 0 HA ILE A 52 4.330 -0.740 -7.098 1.00 0.00 H new ATOM 0 HB ILE A 52 4.015 1.140 -8.766 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.390 1.590 -7.313 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.799 2.604 -7.074 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.013 0.155 -9.810 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.105 -1.097 -9.172 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.625 -0.670 -8.281 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.259 3.610 -8.688 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.800 3.191 -9.473 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.369 2.161 -9.716 1.00 0.00 H new ATOM 766 N GLU A 53 4.391 1.799 -5.141 1.00 0.00 N ATOM 767 CA GLU A 53 5.239 2.776 -4.468 1.00 0.00 C ATOM 768 C GLU A 53 4.767 3.013 -3.037 1.00 0.00 C ATOM 769 O GLU A 53 3.570 2.958 -2.750 1.00 0.00 O ATOM 770 CB GLU A 53 5.245 4.097 -5.240 1.00 0.00 C ATOM 771 CG GLU A 53 6.537 4.883 -5.091 1.00 0.00 C ATOM 772 CD GLU A 53 6.460 6.258 -5.727 1.00 0.00 C ATOM 773 OE1 GLU A 53 5.666 6.430 -6.676 1.00 0.00 O ATOM 774 OE2 GLU A 53 7.193 7.162 -5.275 1.00 0.00 O ATOM 0 H GLU A 53 3.489 1.641 -4.691 1.00 0.00 H new ATOM 0 HA GLU A 53 6.253 2.377 -4.436 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.074 3.891 -6.297 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.413 4.713 -4.897 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.773 4.989 -4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.354 4.322 -5.545 1.00 0.00 H new ATOM 781 N ILE A 54 5.714 3.276 -2.143 1.00 0.00 N ATOM 782 CA ILE A 54 5.395 3.522 -0.742 1.00 0.00 C ATOM 783 C ILE A 54 6.320 4.576 -0.144 1.00 0.00 C ATOM 784 O ILE A 54 7.542 4.443 -0.192 1.00 0.00 O ATOM 785 CB ILE A 54 5.498 2.232 0.093 1.00 0.00 C ATOM 786 CG1 ILE A 54 6.964 1.861 0.320 1.00 0.00 C ATOM 787 CG2 ILE A 54 4.758 1.095 -0.596 1.00 0.00 C ATOM 788 CD1 ILE A 54 7.555 2.470 1.572 1.00 0.00 C ATOM 0 H ILE A 54 6.709 3.324 -2.364 1.00 0.00 H new ATOM 0 HA ILE A 54 4.368 3.885 -0.711 1.00 0.00 H new ATOM 0 HB ILE A 54 5.033 2.407 1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.051 0.776 0.378 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.549 2.182 -0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.840 0.190 0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.707 1.361 -0.710 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.196 0.918 -1.578 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.597 2.164 1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.500 3.557 1.509 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.994 2.129 2.442 1.00 0.00 H new ATOM 800 N ASN A 55 5.728 5.624 0.420 1.00 0.00 N ATOM 801 CA ASN A 55 6.499 6.701 1.029 1.00 0.00 C ATOM 802 C ASN A 55 7.558 7.225 0.064 1.00 0.00 C ATOM 803 O ASN A 55 8.591 7.746 0.482 1.00 0.00 O ATOM 804 CB ASN A 55 7.164 6.215 2.318 1.00 0.00 C ATOM 805 CG ASN A 55 6.162 5.657 3.311 1.00 0.00 C ATOM 806 OD1 ASN A 55 6.360 4.578 3.869 1.00 0.00 O ATOM 807 ND2 ASN A 55 5.080 6.393 3.535 1.00 0.00 N ATOM 0 H ASN A 55 4.717 5.750 0.468 1.00 0.00 H new ATOM 0 HA ASN A 55 5.814 7.515 1.266 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.899 5.447 2.077 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.706 7.041 2.778 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.371 6.070 4.193 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.958 7.282 3.049 1.00 0.00 H new ATOM 814 N GLY A 56 7.293 7.083 -1.232 1.00 0.00 N ATOM 815 CA GLY A 56 8.231 7.547 -2.236 1.00 0.00 C ATOM 816 C GLY A 56 9.286 6.510 -2.567 1.00 0.00 C ATOM 817 O GLY A 56 10.353 6.844 -3.081 1.00 0.00 O ATOM 0 H GLY A 56 6.445 6.655 -1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.687 7.810 -3.143 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.718 8.456 -1.882 1.00 0.00 H new ATOM 821 N GLN A 57 8.988 5.249 -2.270 1.00 0.00 N ATOM 822 CA GLN A 57 9.920 4.161 -2.538 1.00 0.00 C ATOM 823 C GLN A 57 9.330 3.172 -3.537 1.00 0.00 C ATOM 824 O GLN A 57 8.274 2.586 -3.297 1.00 0.00 O ATOM 825 CB GLN A 57 10.280 3.438 -1.238 1.00 0.00 C ATOM 826 CG GLN A 57 11.241 4.217 -0.355 1.00 0.00 C ATOM 827 CD GLN A 57 12.667 4.180 -0.870 1.00 0.00 C ATOM 828 OE1 GLN A 57 13.348 3.158 -0.773 1.00 0.00 O ATOM 829 NE2 GLN A 57 13.126 5.297 -1.422 1.00 0.00 N ATOM 0 H GLN A 57 8.109 4.956 -1.844 1.00 0.00 H new ATOM 0 HA GLN A 57 10.824 4.589 -2.970 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.366 3.238 -0.678 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.724 2.472 -1.480 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.909 5.253 -0.289 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.213 3.808 0.655 1.00 0.00 H new ATOM 0 HE21 GLN A 57 12.527 6.120 -1.481 1.00 0.00 H new ATOM 0 HE22 GLN A 57 14.078 5.332 -1.787 1.00 0.00 H new ATOM 838 N SER A 58 10.019 2.990 -4.660 1.00 0.00 N ATOM 839 CA SER A 58 9.560 2.075 -5.698 1.00 0.00 C ATOM 840 C SER A 58 9.614 0.630 -5.211 1.00 0.00 C ATOM 841 O SER A 58 10.692 0.061 -5.038 1.00 0.00 O ATOM 842 CB SER A 58 10.413 2.232 -6.959 1.00 0.00 C ATOM 843 OG SER A 58 9.778 1.643 -8.080 1.00 0.00 O ATOM 0 H SER A 58 10.897 3.464 -4.873 1.00 0.00 H new ATOM 0 HA SER A 58 8.525 2.322 -5.934 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.591 3.290 -7.152 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.387 1.768 -6.803 1.00 0.00 H new ATOM 0 HG SER A 58 10.342 1.758 -8.873 1.00 0.00 H new ATOM 849 N VAL A 59 8.442 0.042 -4.992 1.00 0.00 N ATOM 850 CA VAL A 59 8.354 -1.337 -4.526 1.00 0.00 C ATOM 851 C VAL A 59 7.929 -2.272 -5.652 1.00 0.00 C ATOM 852 O VAL A 59 7.825 -3.484 -5.462 1.00 0.00 O ATOM 853 CB VAL A 59 7.359 -1.472 -3.358 1.00 0.00 C ATOM 854 CG1 VAL A 59 7.864 -0.720 -2.136 1.00 0.00 C ATOM 855 CG2 VAL A 59 5.983 -0.972 -3.771 1.00 0.00 C ATOM 0 H VAL A 59 7.541 0.499 -5.130 1.00 0.00 H new ATOM 0 HA VAL A 59 9.349 -1.618 -4.181 1.00 0.00 H new ATOM 0 HB VAL A 59 7.274 -2.527 -3.096 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.148 -0.827 -1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.827 -1.129 -1.829 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.980 0.336 -2.381 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.292 -1.075 -2.934 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.049 0.077 -4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.621 -1.559 -4.615 1.00 0.00 H new ATOM 865 N VAL A 60 7.685 -1.701 -6.828 1.00 0.00 N ATOM 866 CA VAL A 60 7.273 -2.483 -7.987 1.00 0.00 C ATOM 867 C VAL A 60 8.270 -3.598 -8.280 1.00 0.00 C ATOM 868 O VAL A 60 7.916 -4.625 -8.859 1.00 0.00 O ATOM 869 CB VAL A 60 7.127 -1.597 -9.239 1.00 0.00 C ATOM 870 CG1 VAL A 60 8.299 -0.634 -9.351 1.00 0.00 C ATOM 871 CG2 VAL A 60 7.011 -2.457 -10.488 1.00 0.00 C ATOM 0 H VAL A 60 7.766 -0.699 -7.002 1.00 0.00 H new ATOM 0 HA VAL A 60 6.304 -2.920 -7.746 1.00 0.00 H new ATOM 0 HB VAL A 60 6.214 -1.010 -9.144 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.179 -0.016 -10.241 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.331 0.004 -8.468 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.228 -1.199 -9.424 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.909 -1.815 -11.363 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.905 -3.071 -10.591 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.136 -3.101 -10.406 1.00 0.00 H new ATOM 881 N ALA A 61 9.519 -3.389 -7.876 1.00 0.00 N ATOM 882 CA ALA A 61 10.568 -4.378 -8.093 1.00 0.00 C ATOM 883 C ALA A 61 11.211 -4.794 -6.775 1.00 0.00 C ATOM 884 O ALA A 61 12.292 -5.384 -6.758 1.00 0.00 O ATOM 885 CB ALA A 61 11.619 -3.831 -9.047 1.00 0.00 C ATOM 0 H ALA A 61 9.829 -2.544 -7.397 1.00 0.00 H new ATOM 0 HA ALA A 61 10.113 -5.262 -8.540 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.396 -4.580 -9.200 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.153 -3.591 -10.003 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.062 -2.930 -8.623 1.00 0.00 H new ATOM 891 N THR A 62 10.541 -4.483 -5.670 1.00 0.00 N ATOM 892 CA THR A 62 11.048 -4.822 -4.347 1.00 0.00 C ATOM 893 C THR A 62 10.350 -6.059 -3.791 1.00 0.00 C ATOM 894 O THR A 62 9.138 -6.227 -3.920 1.00 0.00 O ATOM 895 CB THR A 62 10.865 -3.656 -3.358 1.00 0.00 C ATOM 896 OG1 THR A 62 11.563 -2.499 -3.831 1.00 0.00 O ATOM 897 CG2 THR A 62 11.375 -4.033 -1.975 1.00 0.00 C ATOM 0 H THR A 62 9.645 -3.996 -5.666 1.00 0.00 H new ATOM 0 HA THR A 62 12.112 -5.028 -4.461 1.00 0.00 H new ATOM 0 HB THR A 62 9.800 -3.433 -3.286 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.440 -1.761 -3.198 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.235 -3.193 -1.294 1.00 0.00 H new ATOM 0 HG22 THR A 62 10.821 -4.896 -1.606 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.435 -4.280 -2.033 1.00 0.00 H new ATOM 905 N PRO A 63 11.132 -6.946 -3.157 1.00 0.00 N ATOM 906 CA PRO A 63 10.610 -8.182 -2.568 1.00 0.00 C ATOM 907 C PRO A 63 9.745 -7.919 -1.340 1.00 0.00 C ATOM 908 O PRO A 63 10.047 -7.039 -0.532 1.00 0.00 O ATOM 909 CB PRO A 63 11.874 -8.950 -2.177 1.00 0.00 C ATOM 910 CG PRO A 63 12.912 -7.899 -1.983 1.00 0.00 C ATOM 911 CD PRO A 63 12.586 -6.809 -2.966 1.00 0.00 C ATOM 0 HA PRO A 63 9.964 -8.722 -3.260 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.720 -9.527 -1.265 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.165 -9.655 -2.955 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.898 -7.520 -0.961 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.910 -8.299 -2.161 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.849 -5.825 -2.577 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.128 -6.937 -3.903 1.00 0.00 H new ATOM 919 N HIS A 64 8.668 -8.686 -1.204 1.00 0.00 N ATOM 920 CA HIS A 64 7.760 -8.536 -0.073 1.00 0.00 C ATOM 921 C HIS A 64 8.534 -8.262 1.213 1.00 0.00 C ATOM 922 O HIS A 64 8.292 -7.265 1.894 1.00 0.00 O ATOM 923 CB HIS A 64 6.904 -9.792 0.092 1.00 0.00 C ATOM 924 CG HIS A 64 6.071 -9.791 1.336 1.00 0.00 C ATOM 925 ND1 HIS A 64 4.692 -9.789 1.318 1.00 0.00 N ATOM 926 CD2 HIS A 64 6.428 -9.792 2.641 1.00 0.00 C ATOM 927 CE1 HIS A 64 4.238 -9.787 2.558 1.00 0.00 C ATOM 928 NE2 HIS A 64 5.271 -9.790 3.381 1.00 0.00 N ATOM 0 H HIS A 64 8.403 -9.418 -1.863 1.00 0.00 H new ATOM 0 HA HIS A 64 7.109 -7.685 -0.273 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.249 -9.891 -0.774 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.555 -10.666 0.101 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.436 -9.794 3.029 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.198 -9.784 2.850 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.218 -9.791 4.400 1.00 0.00 H new ATOM 936 N ALA A 65 9.465 -9.152 1.539 1.00 0.00 N ATOM 937 CA ALA A 65 10.276 -9.005 2.741 1.00 0.00 C ATOM 938 C ALA A 65 10.614 -7.540 2.999 1.00 0.00 C ATOM 939 O ALA A 65 10.210 -6.969 4.012 1.00 0.00 O ATOM 940 CB ALA A 65 11.548 -9.830 2.625 1.00 0.00 C ATOM 0 H ALA A 65 9.676 -9.983 0.987 1.00 0.00 H new ATOM 0 HA ALA A 65 9.696 -9.372 3.588 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.143 -9.710 3.530 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.290 -10.881 2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.124 -9.491 1.764 1.00 0.00 H new ATOM 946 N ARG A 66 11.359 -6.939 2.077 1.00 0.00 N ATOM 947 CA ARG A 66 11.753 -5.541 2.206 1.00 0.00 C ATOM 948 C ARG A 66 10.532 -4.647 2.395 1.00 0.00 C ATOM 949 O ARG A 66 10.501 -3.802 3.290 1.00 0.00 O ATOM 950 CB ARG A 66 12.540 -5.095 0.973 1.00 0.00 C ATOM 951 CG ARG A 66 12.695 -3.587 0.861 1.00 0.00 C ATOM 952 CD ARG A 66 13.592 -3.037 1.960 1.00 0.00 C ATOM 953 NE ARG A 66 14.281 -1.819 1.544 1.00 0.00 N ATOM 954 CZ ARG A 66 15.216 -1.218 2.272 1.00 0.00 C ATOM 955 NH1 ARG A 66 15.572 -1.722 3.446 1.00 0.00 N ATOM 956 NH2 ARG A 66 15.798 -0.112 1.826 1.00 0.00 N ATOM 0 H ARG A 66 11.702 -7.398 1.233 1.00 0.00 H new ATOM 0 HA ARG A 66 12.389 -5.449 3.087 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.529 -5.552 0.999 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.040 -5.468 0.079 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.114 -3.334 -0.113 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.715 -3.114 0.919 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.993 -2.830 2.847 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.327 -3.792 2.240 1.00 0.00 H new ATOM 0 HE ARG A 66 14.031 -1.407 0.645 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.128 -2.573 3.792 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.290 -1.259 4.003 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.528 0.278 0.923 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.516 0.348 2.386 1.00 0.00 H new ATOM 970 N ILE A 67 9.528 -4.838 1.545 1.00 0.00 N ATOM 971 CA ILE A 67 8.305 -4.049 1.619 1.00 0.00 C ATOM 972 C ILE A 67 7.787 -3.970 3.051 1.00 0.00 C ATOM 973 O ILE A 67 7.334 -2.916 3.500 1.00 0.00 O ATOM 974 CB ILE A 67 7.202 -4.636 0.718 1.00 0.00 C ATOM 975 CG1 ILE A 67 7.607 -4.534 -0.754 1.00 0.00 C ATOM 976 CG2 ILE A 67 5.882 -3.918 0.961 1.00 0.00 C ATOM 977 CD1 ILE A 67 6.635 -5.209 -1.696 1.00 0.00 C ATOM 0 H ILE A 67 9.538 -5.532 0.798 1.00 0.00 H new ATOM 0 HA ILE A 67 8.554 -3.047 1.270 1.00 0.00 H new ATOM 0 HB ILE A 67 7.072 -5.689 0.967 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.694 -3.482 -1.027 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.594 -4.979 -0.883 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.112 -4.344 0.317 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.589 -4.038 2.004 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.998 -2.858 0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.985 -5.097 -2.722 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.566 -6.269 -1.450 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.652 -4.749 -1.596 1.00 0.00 H new ATOM 989 N ILE A 68 7.859 -5.089 3.763 1.00 0.00 N ATOM 990 CA ILE A 68 7.401 -5.145 5.146 1.00 0.00 C ATOM 991 C ILE A 68 8.278 -4.287 6.051 1.00 0.00 C ATOM 992 O ILE A 68 7.797 -3.692 7.015 1.00 0.00 O ATOM 993 CB ILE A 68 7.392 -6.590 5.678 1.00 0.00 C ATOM 994 CG1 ILE A 68 6.555 -7.488 4.765 1.00 0.00 C ATOM 995 CG2 ILE A 68 6.856 -6.627 7.101 1.00 0.00 C ATOM 996 CD1 ILE A 68 5.071 -7.205 4.834 1.00 0.00 C ATOM 0 H ILE A 68 8.230 -5.969 3.405 1.00 0.00 H new ATOM 0 HA ILE A 68 6.383 -4.756 5.157 1.00 0.00 H new ATOM 0 HB ILE A 68 8.416 -6.965 5.686 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.893 -7.362 3.736 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.731 -8.530 5.033 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.856 -7.655 7.463 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.489 -6.016 7.744 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.838 -6.237 7.117 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.540 -7.879 4.161 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.718 -7.359 5.854 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.883 -6.173 4.537 1.00 0.00 H new ATOM 1008 N GLU A 69 9.567 -4.227 5.732 1.00 0.00 N ATOM 1009 CA GLU A 69 10.512 -3.440 6.517 1.00 0.00 C ATOM 1010 C GLU A 69 10.319 -1.948 6.264 1.00 0.00 C ATOM 1011 O GLU A 69 10.577 -1.119 7.138 1.00 0.00 O ATOM 1012 CB GLU A 69 11.949 -3.844 6.181 1.00 0.00 C ATOM 1013 CG GLU A 69 12.480 -4.976 7.045 1.00 0.00 C ATOM 1014 CD GLU A 69 12.990 -4.493 8.389 1.00 0.00 C ATOM 1015 OE1 GLU A 69 12.167 -4.346 9.317 1.00 0.00 O ATOM 1016 OE2 GLU A 69 14.211 -4.264 8.514 1.00 0.00 O ATOM 0 H GLU A 69 9.981 -4.713 4.937 1.00 0.00 H new ATOM 0 HA GLU A 69 10.324 -3.639 7.572 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.998 -4.143 5.134 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.598 -2.976 6.295 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.689 -5.710 7.203 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.286 -5.485 6.516 1.00 0.00 H new ATOM 1023 N LEU A 70 9.865 -1.611 5.061 1.00 0.00 N ATOM 1024 CA LEU A 70 9.638 -0.219 4.691 1.00 0.00 C ATOM 1025 C LEU A 70 8.336 0.300 5.295 1.00 0.00 C ATOM 1026 O LEU A 70 8.344 1.206 6.129 1.00 0.00 O ATOM 1027 CB LEU A 70 9.600 -0.075 3.169 1.00 0.00 C ATOM 1028 CG LEU A 70 10.949 -0.150 2.454 1.00 0.00 C ATOM 1029 CD1 LEU A 70 10.772 0.044 0.956 1.00 0.00 C ATOM 1030 CD2 LEU A 70 11.910 0.886 3.018 1.00 0.00 C ATOM 0 H LEU A 70 9.647 -2.283 4.326 1.00 0.00 H new ATOM 0 HA LEU A 70 10.462 0.375 5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.954 -0.855 2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.135 0.881 2.926 1.00 0.00 H new ATOM 0 HG LEU A 70 11.373 -1.140 2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.743 -0.013 0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.120 -0.736 0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.326 1.020 0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.865 0.818 2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.492 1.883 2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.063 0.700 4.081 1.00 0.00 H new ATOM 1042 N LEU A 71 7.220 -0.282 4.870 1.00 0.00 N ATOM 1043 CA LEU A 71 5.910 0.119 5.371 1.00 0.00 C ATOM 1044 C LEU A 71 5.928 0.264 6.889 1.00 0.00 C ATOM 1045 O LEU A 71 5.394 1.228 7.439 1.00 0.00 O ATOM 1046 CB LEU A 71 4.849 -0.902 4.957 1.00 0.00 C ATOM 1047 CG LEU A 71 4.215 -0.691 3.581 1.00 0.00 C ATOM 1048 CD1 LEU A 71 3.498 -1.952 3.125 1.00 0.00 C ATOM 1049 CD2 LEU A 71 3.254 0.489 3.613 1.00 0.00 C ATOM 0 H LEU A 71 7.196 -1.033 4.180 1.00 0.00 H new ATOM 0 HA LEU A 71 5.663 1.087 4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.300 -1.894 4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.056 -0.896 5.705 1.00 0.00 H new ATOM 0 HG LEU A 71 5.008 -0.470 2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.053 -1.783 2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.211 -2.774 3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.715 -2.204 3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.812 0.625 2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.465 0.296 4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.796 1.392 3.895 1.00 0.00 H new ATOM 1061 N THR A 72 6.547 -0.700 7.563 1.00 0.00 N ATOM 1062 CA THR A 72 6.636 -0.680 9.018 1.00 0.00 C ATOM 1063 C THR A 72 7.511 0.471 9.499 1.00 0.00 C ATOM 1064 O THR A 72 7.188 1.139 10.481 1.00 0.00 O ATOM 1065 CB THR A 72 7.202 -2.004 9.564 1.00 0.00 C ATOM 1066 OG1 THR A 72 6.354 -3.094 9.185 1.00 0.00 O ATOM 1067 CG2 THR A 72 7.327 -1.955 11.080 1.00 0.00 C ATOM 0 H THR A 72 6.994 -1.505 7.124 1.00 0.00 H new ATOM 0 HA THR A 72 5.622 -0.544 9.395 1.00 0.00 H new ATOM 0 HB THR A 72 8.194 -2.152 9.138 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.762 -3.582 8.439 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.729 -2.901 11.443 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.997 -1.144 11.364 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.345 -1.785 11.521 1.00 0.00 H new ATOM 1075 N GLU A 73 8.620 0.697 8.802 1.00 0.00 N ATOM 1076 CA GLU A 73 9.542 1.769 9.160 1.00 0.00 C ATOM 1077 C GLU A 73 8.865 3.132 9.038 1.00 0.00 C ATOM 1078 O GLU A 73 9.390 4.141 9.507 1.00 0.00 O ATOM 1079 CB GLU A 73 10.784 1.723 8.269 1.00 0.00 C ATOM 1080 CG GLU A 73 11.873 0.801 8.790 1.00 0.00 C ATOM 1081 CD GLU A 73 12.521 1.322 10.058 1.00 0.00 C ATOM 1082 OE1 GLU A 73 12.716 2.551 10.164 1.00 0.00 O ATOM 1083 OE2 GLU A 73 12.833 0.500 10.946 1.00 0.00 O ATOM 0 H GLU A 73 8.902 0.153 7.987 1.00 0.00 H new ATOM 0 HA GLU A 73 9.843 1.623 10.197 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.492 1.399 7.270 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.188 2.730 8.172 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.449 -0.184 8.982 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.636 0.675 8.022 1.00 0.00 H new ATOM 1090 N ALA A 74 7.697 3.151 8.404 1.00 0.00 N ATOM 1091 CA ALA A 74 6.948 4.388 8.221 1.00 0.00 C ATOM 1092 C ALA A 74 5.776 4.469 9.192 1.00 0.00 C ATOM 1093 O ALA A 74 4.821 3.697 9.094 1.00 0.00 O ATOM 1094 CB ALA A 74 6.456 4.499 6.785 1.00 0.00 C ATOM 0 H ALA A 74 7.249 2.324 8.009 1.00 0.00 H new ATOM 0 HA ALA A 74 7.616 5.223 8.430 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.898 5.427 6.662 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.309 4.496 6.107 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.808 3.653 6.556 1.00 0.00 H new ATOM 1100 N TYR A 75 5.854 5.406 10.130 1.00 0.00 N ATOM 1101 CA TYR A 75 4.800 5.585 11.122 1.00 0.00 C ATOM 1102 C TYR A 75 3.980 6.837 10.826 1.00 0.00 C ATOM 1103 O TYR A 75 4.365 7.664 9.999 1.00 0.00 O ATOM 1104 CB TYR A 75 5.401 5.676 12.525 1.00 0.00 C ATOM 1105 CG TYR A 75 6.416 4.594 12.820 1.00 0.00 C ATOM 1106 CD1 TYR A 75 7.646 4.572 12.173 1.00 0.00 C ATOM 1107 CD2 TYR A 75 6.146 3.595 13.746 1.00 0.00 C ATOM 1108 CE1 TYR A 75 8.575 3.586 12.439 1.00 0.00 C ATOM 1109 CE2 TYR A 75 7.070 2.605 14.019 1.00 0.00 C ATOM 1110 CZ TYR A 75 8.283 2.604 13.363 1.00 0.00 C ATOM 1111 OH TYR A 75 9.207 1.621 13.631 1.00 0.00 O ATOM 0 H TYR A 75 6.636 6.054 10.225 1.00 0.00 H new ATOM 0 HA TYR A 75 4.139 4.720 11.072 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.875 6.650 12.646 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.598 5.619 13.260 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.879 5.339 11.450 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.197 3.592 14.262 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.526 3.583 11.926 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.844 1.836 14.742 1.00 0.00 H new ATOM 0 HH TYR A 75 8.846 1.008 14.306 1.00 0.00 H new ATOM 1121 N GLY A 76 2.847 6.970 11.508 1.00 0.00 N ATOM 1122 CA GLY A 76 1.990 8.124 11.306 1.00 0.00 C ATOM 1123 C GLY A 76 1.473 8.220 9.884 1.00 0.00 C ATOM 1124 O GLY A 76 0.767 7.329 9.413 1.00 0.00 O ATOM 0 H GLY A 76 2.507 6.299 12.197 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.146 8.071 11.993 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.543 9.031 11.550 1.00 0.00 H new ATOM 1128 N GLU A 77 1.824 9.304 9.200 1.00 0.00 N ATOM 1129 CA GLU A 77 1.388 9.514 7.825 1.00 0.00 C ATOM 1130 C GLU A 77 2.164 8.616 6.865 1.00 0.00 C ATOM 1131 O GLU A 77 3.291 8.927 6.481 1.00 0.00 O ATOM 1132 CB GLU A 77 1.567 10.980 7.427 1.00 0.00 C ATOM 1133 CG GLU A 77 0.607 11.438 6.342 1.00 0.00 C ATOM 1134 CD GLU A 77 0.638 12.940 6.132 1.00 0.00 C ATOM 1135 OE1 GLU A 77 1.567 13.426 5.455 1.00 0.00 O ATOM 1136 OE2 GLU A 77 -0.268 13.629 6.646 1.00 0.00 O ATOM 0 H GLU A 77 2.409 10.050 9.576 1.00 0.00 H new ATOM 0 HA GLU A 77 0.331 9.255 7.763 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.431 11.606 8.309 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.590 11.132 7.083 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.857 10.939 5.406 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.406 11.132 6.605 1.00 0.00 H new ATOM 1143 N VAL A 78 1.552 7.500 6.483 1.00 0.00 N ATOM 1144 CA VAL A 78 2.184 6.556 5.568 1.00 0.00 C ATOM 1145 C VAL A 78 1.516 6.589 4.198 1.00 0.00 C ATOM 1146 O VAL A 78 0.387 6.126 4.034 1.00 0.00 O ATOM 1147 CB VAL A 78 2.131 5.119 6.119 1.00 0.00 C ATOM 1148 CG1 VAL A 78 2.870 4.165 5.194 1.00 0.00 C ATOM 1149 CG2 VAL A 78 2.709 5.066 7.525 1.00 0.00 C ATOM 0 H VAL A 78 0.619 7.227 6.793 1.00 0.00 H new ATOM 0 HA VAL A 78 3.226 6.860 5.469 1.00 0.00 H new ATOM 0 HB VAL A 78 1.088 4.805 6.167 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.822 3.154 5.600 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.407 4.183 4.208 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.912 4.473 5.111 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.664 4.043 7.899 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.747 5.399 7.505 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.132 5.718 8.181 1.00 0.00 H new ATOM 1159 N HIS A 79 2.222 7.138 3.215 1.00 0.00 N ATOM 1160 CA HIS A 79 1.699 7.229 1.856 1.00 0.00 C ATOM 1161 C HIS A 79 1.886 5.911 1.112 1.00 0.00 C ATOM 1162 O HIS A 79 3.011 5.447 0.924 1.00 0.00 O ATOM 1163 CB HIS A 79 2.391 8.361 1.095 1.00 0.00 C ATOM 1164 CG HIS A 79 2.214 9.705 1.731 1.00 0.00 C ATOM 1165 ND1 HIS A 79 1.984 10.856 1.006 1.00 0.00 N ATOM 1166 CD2 HIS A 79 2.234 10.080 3.031 1.00 0.00 C ATOM 1167 CE1 HIS A 79 1.871 11.880 1.833 1.00 0.00 C ATOM 1168 NE2 HIS A 79 2.018 11.435 3.068 1.00 0.00 N ATOM 0 H HIS A 79 3.158 7.527 3.334 1.00 0.00 H new ATOM 0 HA HIS A 79 0.632 7.442 1.918 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.456 8.140 1.021 1.00 0.00 H new ATOM 0 HB3 HIS A 79 2.001 8.395 0.078 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.391 9.433 3.882 1.00 0.00 H new ATOM 0 HE1 HIS A 79 1.689 12.906 1.548 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.978 12.006 3.912 1.00 0.00 H new ATOM 1176 N ILE A 80 0.776 5.312 0.691 1.00 0.00 N ATOM 1177 CA ILE A 80 0.819 4.048 -0.033 1.00 0.00 C ATOM 1178 C ILE A 80 0.184 4.183 -1.413 1.00 0.00 C ATOM 1179 O ILE A 80 -0.996 4.512 -1.536 1.00 0.00 O ATOM 1180 CB ILE A 80 0.099 2.930 0.744 1.00 0.00 C ATOM 1181 CG1 ILE A 80 0.905 2.542 1.986 1.00 0.00 C ATOM 1182 CG2 ILE A 80 -0.120 1.719 -0.151 1.00 0.00 C ATOM 1183 CD1 ILE A 80 0.120 1.717 2.982 1.00 0.00 C ATOM 0 H ILE A 80 -0.163 5.682 0.839 1.00 0.00 H new ATOM 0 HA ILE A 80 1.871 3.783 -0.144 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.874 3.300 1.066 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.787 1.981 1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.260 3.448 2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.630 0.938 0.412 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.730 2.005 -1.008 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.843 1.345 -0.500 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.753 1.478 3.836 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.747 2.284 3.320 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.212 0.794 2.508 1.00 0.00 H new ATOM 1195 N LYS A 81 0.973 3.923 -2.449 1.00 0.00 N ATOM 1196 CA LYS A 81 0.489 4.012 -3.822 1.00 0.00 C ATOM 1197 C LYS A 81 -0.062 2.670 -4.292 1.00 0.00 C ATOM 1198 O LYS A 81 0.690 1.721 -4.516 1.00 0.00 O ATOM 1199 CB LYS A 81 1.615 4.467 -4.753 1.00 0.00 C ATOM 1200 CG LYS A 81 1.119 5.127 -6.029 1.00 0.00 C ATOM 1201 CD LYS A 81 2.123 6.136 -6.561 1.00 0.00 C ATOM 1202 CE LYS A 81 1.971 7.487 -5.877 1.00 0.00 C ATOM 1203 NZ LYS A 81 3.136 8.376 -6.141 1.00 0.00 N ATOM 0 H LYS A 81 1.952 3.649 -2.364 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.316 4.746 -3.850 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.257 5.166 -4.218 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.230 3.606 -5.014 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.932 4.365 -6.785 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.169 5.625 -5.837 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.135 5.761 -6.407 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.987 6.254 -7.636 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.059 7.970 -6.226 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.862 7.340 -4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.306 8.981 -5.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.980 7.797 -6.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.937 8.972 -6.969 1.00 0.00 H new ATOM 1217 N THR A 82 -1.381 2.596 -4.442 1.00 0.00 N ATOM 1218 CA THR A 82 -2.033 1.371 -4.886 1.00 0.00 C ATOM 1219 C THR A 82 -2.352 1.426 -6.375 1.00 0.00 C ATOM 1220 O THR A 82 -2.636 2.493 -6.919 1.00 0.00 O ATOM 1221 CB THR A 82 -3.334 1.111 -4.103 1.00 0.00 C ATOM 1222 OG1 THR A 82 -4.135 2.298 -4.076 1.00 0.00 O ATOM 1223 CG2 THR A 82 -3.030 0.666 -2.681 1.00 0.00 C ATOM 0 H THR A 82 -2.019 3.371 -4.262 1.00 0.00 H new ATOM 0 HA THR A 82 -1.335 0.556 -4.697 1.00 0.00 H new ATOM 0 HB THR A 82 -3.882 0.315 -4.607 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.808 2.929 -4.751 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.964 0.488 -2.148 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.445 -0.254 -2.705 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.463 1.444 -2.170 1.00 0.00 H new ATOM 1231 N MET A 83 -2.304 0.270 -7.029 1.00 0.00 N ATOM 1232 CA MET A 83 -2.590 0.188 -8.457 1.00 0.00 C ATOM 1233 C MET A 83 -3.046 -1.216 -8.840 1.00 0.00 C ATOM 1234 O MET A 83 -2.487 -2.219 -8.396 1.00 0.00 O ATOM 1235 CB MET A 83 -1.353 0.575 -9.270 1.00 0.00 C ATOM 1236 CG MET A 83 -1.571 0.517 -10.773 1.00 0.00 C ATOM 1237 SD MET A 83 -2.146 2.086 -11.452 1.00 0.00 S ATOM 1238 CE MET A 83 -1.130 2.211 -12.922 1.00 0.00 C ATOM 0 H MET A 83 -2.070 -0.622 -6.593 1.00 0.00 H new ATOM 0 HA MET A 83 -3.396 0.887 -8.681 1.00 0.00 H new ATOM 0 HB2 MET A 83 -1.048 1.584 -8.994 1.00 0.00 H new ATOM 0 HB3 MET A 83 -0.531 -0.090 -9.004 1.00 0.00 H new ATOM 0 HG2 MET A 83 -0.638 0.234 -11.261 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.299 -0.262 -11.001 1.00 0.00 H new ATOM 0 HE1 MET A 83 -1.669 2.764 -13.691 1.00 0.00 H new ATOM 0 HE2 MET A 83 -0.204 2.733 -12.681 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.897 1.212 -13.290 1.00 0.00 H new ATOM 1248 N PRO A 84 -4.086 -1.292 -9.684 1.00 0.00 N ATOM 1249 CA PRO A 84 -4.639 -2.569 -10.145 1.00 0.00 C ATOM 1250 C PRO A 84 -3.693 -3.304 -11.089 1.00 0.00 C ATOM 1251 O PRO A 84 -3.336 -2.790 -12.149 1.00 0.00 O ATOM 1252 CB PRO A 84 -5.916 -2.156 -10.882 1.00 0.00 C ATOM 1253 CG PRO A 84 -5.665 -0.754 -11.318 1.00 0.00 C ATOM 1254 CD PRO A 84 -4.800 -0.138 -10.254 1.00 0.00 C ATOM 0 HA PRO A 84 -4.811 -3.261 -9.320 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -6.109 -2.807 -11.735 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.787 -2.218 -10.230 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -5.168 -0.730 -12.288 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -6.601 -0.206 -11.426 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.110 0.595 -10.672 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.396 0.378 -9.501 1.00 0.00 H new ATOM 1262 N ALA A 85 -3.291 -4.508 -10.697 1.00 0.00 N ATOM 1263 CA ALA A 85 -2.389 -5.315 -11.509 1.00 0.00 C ATOM 1264 C ALA A 85 -2.774 -5.252 -12.984 1.00 0.00 C ATOM 1265 O ALA A 85 -1.913 -5.130 -13.855 1.00 0.00 O ATOM 1266 CB ALA A 85 -2.387 -6.756 -11.023 1.00 0.00 C ATOM 0 H ALA A 85 -3.576 -4.946 -9.821 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.383 -4.907 -11.405 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.709 -7.347 -11.639 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.057 -6.789 -9.985 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.394 -7.166 -11.096 1.00 0.00 H new ATOM 1272 N ALA A 86 -4.072 -5.338 -13.256 1.00 0.00 N ATOM 1273 CA ALA A 86 -4.570 -5.290 -14.625 1.00 0.00 C ATOM 1274 C ALA A 86 -4.008 -4.086 -15.372 1.00 0.00 C ATOM 1275 O ALA A 86 -3.266 -4.235 -16.343 1.00 0.00 O ATOM 1276 CB ALA A 86 -6.091 -5.255 -14.632 1.00 0.00 C ATOM 0 H ALA A 86 -4.797 -5.441 -12.546 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.236 -6.191 -15.139 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.449 -5.219 -15.661 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.478 -6.150 -14.144 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.437 -4.371 -14.096 1.00 0.00 H new ATOM 1282 N THR A 87 -4.367 -2.890 -14.913 1.00 0.00 N ATOM 1283 CA THR A 87 -3.900 -1.660 -15.539 1.00 0.00 C ATOM 1284 C THR A 87 -2.385 -1.670 -15.710 1.00 0.00 C ATOM 1285 O THR A 87 -1.877 -1.725 -16.830 1.00 0.00 O ATOM 1286 CB THR A 87 -4.304 -0.422 -14.716 1.00 0.00 C ATOM 1287 OG1 THR A 87 -5.719 -0.420 -14.498 1.00 0.00 O ATOM 1288 CG2 THR A 87 -3.893 0.858 -15.426 1.00 0.00 C ATOM 0 H THR A 87 -4.980 -2.748 -14.110 1.00 0.00 H new ATOM 0 HA THR A 87 -4.373 -1.606 -16.520 1.00 0.00 H new ATOM 0 HB THR A 87 -3.789 -0.467 -13.756 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.968 0.369 -13.973 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.189 1.718 -14.826 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.812 0.866 -15.564 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.383 0.908 -16.398 1.00 0.00 H new ATOM 1296 N TYR A 88 -1.669 -1.619 -14.593 1.00 0.00 N ATOM 1297 CA TYR A 88 -0.211 -1.621 -14.619 1.00 0.00 C ATOM 1298 C TYR A 88 0.313 -2.552 -15.708 1.00 0.00 C ATOM 1299 O TYR A 88 0.955 -2.111 -16.661 1.00 0.00 O ATOM 1300 CB TYR A 88 0.344 -2.046 -13.258 1.00 0.00 C ATOM 1301 CG TYR A 88 1.747 -1.548 -12.995 1.00 0.00 C ATOM 1302 CD1 TYR A 88 2.091 -0.222 -13.230 1.00 0.00 C ATOM 1303 CD2 TYR A 88 2.730 -2.403 -12.511 1.00 0.00 C ATOM 1304 CE1 TYR A 88 3.372 0.237 -12.991 1.00 0.00 C ATOM 1305 CE2 TYR A 88 4.013 -1.952 -12.268 1.00 0.00 C ATOM 1306 CZ TYR A 88 4.329 -0.632 -12.510 1.00 0.00 C ATOM 1307 OH TYR A 88 5.606 -0.179 -12.270 1.00 0.00 O ATOM 0 H TYR A 88 -2.074 -1.576 -13.658 1.00 0.00 H new ATOM 0 HA TYR A 88 0.125 -0.608 -14.840 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.317 -1.676 -12.474 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.336 -3.134 -13.195 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.344 0.461 -13.606 1.00 0.00 H new ATOM 0 HD2 TYR A 88 2.487 -3.438 -12.322 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.623 1.270 -13.180 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.764 -2.630 -11.891 1.00 0.00 H new ATOM 0 HH TYR A 88 5.576 0.769 -12.023 1.00 0.00 H new ATOM 1317 N ARG A 89 0.034 -3.842 -15.559 1.00 0.00 N ATOM 1318 CA ARG A 89 0.476 -4.837 -16.528 1.00 0.00 C ATOM 1319 C ARG A 89 0.153 -4.391 -17.951 1.00 0.00 C ATOM 1320 O ARG A 89 0.973 -4.533 -18.859 1.00 0.00 O ATOM 1321 CB ARG A 89 -0.184 -6.187 -16.243 1.00 0.00 C ATOM 1322 CG ARG A 89 0.471 -6.958 -15.109 1.00 0.00 C ATOM 1323 CD ARG A 89 1.577 -7.869 -15.620 1.00 0.00 C ATOM 1324 NE ARG A 89 1.072 -8.873 -16.552 1.00 0.00 N ATOM 1325 CZ ARG A 89 0.480 -9.999 -16.169 1.00 0.00 C ATOM 1326 NH1 ARG A 89 0.320 -10.262 -14.879 1.00 0.00 N ATOM 1327 NH2 ARG A 89 0.047 -10.864 -17.077 1.00 0.00 N ATOM 0 H ARG A 89 -0.497 -4.223 -14.776 1.00 0.00 H new ATOM 0 HA ARG A 89 1.557 -4.942 -16.435 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.234 -6.024 -16.001 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.155 -6.794 -17.148 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.882 -6.258 -14.381 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.281 -7.553 -14.590 1.00 0.00 H new ATOM 0 HD2 ARG A 89 2.342 -7.269 -16.113 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.056 -8.366 -14.776 1.00 0.00 H new ATOM 0 HE ARG A 89 1.180 -8.701 -17.552 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.652 -9.599 -14.178 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.135 -11.127 -14.587 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.169 -10.665 -18.070 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.407 -11.728 -16.782 1.00 0.00 H new ATOM 1341 N LEU A 90 -1.047 -3.852 -18.138 1.00 0.00 N ATOM 1342 CA LEU A 90 -1.480 -3.386 -19.451 1.00 0.00 C ATOM 1343 C LEU A 90 -0.644 -2.194 -19.908 1.00 0.00 C ATOM 1344 O LEU A 90 -0.387 -2.023 -21.100 1.00 0.00 O ATOM 1345 CB LEU A 90 -2.960 -3.002 -19.415 1.00 0.00 C ATOM 1346 CG LEU A 90 -3.956 -4.158 -19.516 1.00 0.00 C ATOM 1347 CD1 LEU A 90 -5.372 -3.665 -19.265 1.00 0.00 C ATOM 1348 CD2 LEU A 90 -3.856 -4.831 -20.877 1.00 0.00 C ATOM 0 H LEU A 90 -1.737 -3.727 -17.397 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.340 -4.199 -20.163 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.152 -2.463 -18.487 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.155 -2.308 -20.233 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.709 -4.894 -18.751 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.067 -4.501 -19.341 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.435 -3.231 -18.267 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.631 -2.909 -20.007 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.572 -5.651 -20.931 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.077 -4.105 -21.659 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.847 -5.220 -21.017 1.00 0.00 H new ATOM 1360 N LEU A 91 -0.221 -1.374 -18.952 1.00 0.00 N ATOM 1361 CA LEU A 91 0.588 -0.198 -19.256 1.00 0.00 C ATOM 1362 C LEU A 91 2.036 -0.590 -19.530 1.00 0.00 C ATOM 1363 O LEU A 91 2.734 0.069 -20.301 1.00 0.00 O ATOM 1364 CB LEU A 91 0.528 0.799 -18.097 1.00 0.00 C ATOM 1365 CG LEU A 91 -0.870 1.154 -17.589 1.00 0.00 C ATOM 1366 CD1 LEU A 91 -0.827 1.502 -16.109 1.00 0.00 C ATOM 1367 CD2 LEU A 91 -1.454 2.306 -18.392 1.00 0.00 C ATOM 0 H LEU A 91 -0.424 -1.501 -17.961 1.00 0.00 H new ATOM 0 HA LEU A 91 0.182 0.271 -20.152 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.103 0.393 -17.265 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.024 1.718 -18.409 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.514 0.284 -17.719 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.831 1.752 -15.765 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.452 0.648 -15.545 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.167 2.356 -15.955 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.449 2.544 -18.016 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.810 3.180 -18.295 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.522 2.020 -19.442 1.00 0.00 H new