USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 441 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 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 87:sc= 0.719 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 174:sc= -3.02 USER MOD Single : A 59 THR OG1 : rot 78:sc= 0.772 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -178:sc=-0.00287 (180deg=-0.00794) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 143:sc= -0.0618 (180deg=-3.03!) USER MOD Single : A 90 MET CE :methyl -121:sc= -0.189 (180deg=-0.818) USER MOD ----------------------------------------------------------------- ATOM 102 N TYR A 8 -26.907 2.588 11.667 1.00 0.00 N ATOM 103 CA TYR A 8 -25.491 2.277 11.579 1.00 0.00 C ATOM 104 C TYR A 8 -25.256 0.766 11.647 1.00 0.00 C ATOM 105 O TYR A 8 -24.451 0.225 10.890 1.00 0.00 O ATOM 106 CB TYR A 8 -24.838 2.937 12.795 1.00 0.00 C ATOM 107 CG TYR A 8 -23.377 3.338 12.576 1.00 0.00 C ATOM 108 CD1 TYR A 8 -22.377 2.396 12.709 1.00 0.00 C ATOM 109 CD2 TYR A 8 -23.060 4.640 12.245 1.00 0.00 C ATOM 110 CE1 TYR A 8 -21.002 2.773 12.502 1.00 0.00 C ATOM 111 CE2 TYR A 8 -21.686 5.016 12.039 1.00 0.00 C ATOM 112 CZ TYR A 8 -20.725 4.064 12.178 1.00 0.00 C ATOM 113 OH TYR A 8 -19.426 4.420 11.983 1.00 0.00 O ATOM 0 HA TYR A 8 -25.078 2.635 10.636 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -25.411 3.824 13.065 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -24.893 2.252 13.641 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -22.625 1.377 12.968 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -23.843 5.377 12.141 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -20.209 2.046 12.602 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -21.424 6.031 11.780 1.00 0.00 H new ATOM 0 HH TYR A 8 -19.378 5.372 11.756 1.00 0.00 H new ATOM 123 N ALA A 9 -25.973 0.129 12.560 1.00 0.00 N ATOM 124 CA ALA A 9 -25.852 -1.309 12.736 1.00 0.00 C ATOM 125 C ALA A 9 -26.344 -2.016 11.472 1.00 0.00 C ATOM 126 O ALA A 9 -25.961 -3.154 11.204 1.00 0.00 O ATOM 127 CB ALA A 9 -26.628 -1.737 13.984 1.00 0.00 C ATOM 0 H ALA A 9 -26.640 0.581 13.186 1.00 0.00 H new ATOM 0 HA ALA A 9 -24.810 -1.592 12.887 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -26.538 -2.815 14.117 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -26.221 -1.229 14.858 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -27.679 -1.473 13.867 1.00 0.00 H new ATOM 133 N ALA A 10 -27.186 -1.313 10.729 1.00 0.00 N ATOM 134 CA ALA A 10 -27.735 -1.860 9.500 1.00 0.00 C ATOM 135 C ALA A 10 -26.601 -2.089 8.498 1.00 0.00 C ATOM 136 O ALA A 10 -26.310 -3.228 8.134 1.00 0.00 O ATOM 137 CB ALA A 10 -28.810 -0.917 8.957 1.00 0.00 C ATOM 0 H ALA A 10 -27.501 -0.370 10.954 1.00 0.00 H new ATOM 0 HA ALA A 10 -28.210 -2.823 9.687 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -29.222 -1.327 8.035 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -29.606 -0.810 9.694 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -28.369 0.059 8.755 1.00 0.00 H new ATOM 143 N LEU A 11 -25.991 -0.989 8.081 1.00 0.00 N ATOM 144 CA LEU A 11 -24.896 -1.056 7.129 1.00 0.00 C ATOM 145 C LEU A 11 -23.809 -1.986 7.673 1.00 0.00 C ATOM 146 O LEU A 11 -23.247 -2.790 6.931 1.00 0.00 O ATOM 147 CB LEU A 11 -24.392 0.349 6.793 1.00 0.00 C ATOM 148 CG LEU A 11 -23.465 0.994 7.825 1.00 0.00 C ATOM 149 CD1 LEU A 11 -22.004 0.632 7.552 1.00 0.00 C ATOM 150 CD2 LEU A 11 -23.679 2.508 7.884 1.00 0.00 C ATOM 0 H LEU A 11 -26.235 -0.046 8.385 1.00 0.00 H new ATOM 0 HA LEU A 11 -25.237 -1.482 6.185 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -23.867 0.306 5.839 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -25.255 0.999 6.653 1.00 0.00 H new ATOM 0 HG LEU A 11 -23.717 0.595 8.807 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -21.366 1.103 8.300 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -21.882 -0.450 7.601 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -21.721 0.984 6.560 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -23.008 2.942 8.625 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -23.470 2.943 6.907 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -24.712 2.719 8.162 1.00 0.00 H new ATOM 162 N VAL A 12 -23.546 -1.844 8.964 1.00 0.00 N ATOM 163 CA VAL A 12 -22.536 -2.661 9.616 1.00 0.00 C ATOM 164 C VAL A 12 -22.851 -4.139 9.378 1.00 0.00 C ATOM 165 O VAL A 12 -21.970 -4.914 9.010 1.00 0.00 O ATOM 166 CB VAL A 12 -22.448 -2.299 11.100 1.00 0.00 C ATOM 167 CG1 VAL A 12 -21.856 -3.452 11.911 1.00 0.00 C ATOM 168 CG2 VAL A 12 -21.643 -1.014 11.304 1.00 0.00 C ATOM 0 H VAL A 12 -24.014 -1.176 9.576 1.00 0.00 H new ATOM 0 HA VAL A 12 -21.552 -2.466 9.189 1.00 0.00 H new ATOM 0 HB VAL A 12 -23.460 -2.121 11.462 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -21.804 -3.169 12.962 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -22.487 -4.334 11.803 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -20.854 -3.676 11.546 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -21.596 -0.779 12.367 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -20.633 -1.152 10.918 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -22.126 -0.194 10.772 1.00 0.00 H new ATOM 178 N THR A 13 -24.111 -4.486 9.600 1.00 0.00 N ATOM 179 CA THR A 13 -24.553 -5.857 9.414 1.00 0.00 C ATOM 180 C THR A 13 -24.379 -6.281 7.955 1.00 0.00 C ATOM 181 O THR A 13 -24.027 -7.426 7.674 1.00 0.00 O ATOM 182 CB THR A 13 -25.997 -5.959 9.909 1.00 0.00 C ATOM 183 OG1 THR A 13 -25.878 -5.957 11.329 1.00 0.00 O ATOM 184 CG2 THR A 13 -26.631 -7.315 9.590 1.00 0.00 C ATOM 0 H THR A 13 -24.839 -3.841 9.907 1.00 0.00 H new ATOM 0 HA THR A 13 -23.945 -6.551 9.995 1.00 0.00 H new ATOM 0 HB THR A 13 -26.592 -5.165 9.458 1.00 0.00 H new ATOM 0 HG1 THR A 13 -25.857 -5.033 11.654 1.00 0.00 H new ATOM 0 HG21 THR A 13 -27.655 -7.335 9.963 1.00 0.00 H new ATOM 0 HG22 THR A 13 -26.634 -7.470 8.511 1.00 0.00 H new ATOM 0 HG23 THR A 13 -26.056 -8.107 10.069 1.00 0.00 H new ATOM 192 N PHE A 14 -24.635 -5.335 7.063 1.00 0.00 N ATOM 193 CA PHE A 14 -24.512 -5.596 5.639 1.00 0.00 C ATOM 194 C PHE A 14 -23.065 -5.924 5.265 1.00 0.00 C ATOM 195 O PHE A 14 -22.795 -6.965 4.668 1.00 0.00 O ATOM 196 CB PHE A 14 -24.937 -4.319 4.911 1.00 0.00 C ATOM 197 CG PHE A 14 -25.359 -4.542 3.458 1.00 0.00 C ATOM 198 CD1 PHE A 14 -26.537 -5.163 3.179 1.00 0.00 C ATOM 199 CD2 PHE A 14 -24.557 -4.119 2.444 1.00 0.00 C ATOM 200 CE1 PHE A 14 -26.928 -5.370 1.830 1.00 0.00 C ATOM 201 CE2 PHE A 14 -24.949 -4.326 1.095 1.00 0.00 C ATOM 202 CZ PHE A 14 -26.126 -4.948 0.817 1.00 0.00 C ATOM 0 H PHE A 14 -24.927 -4.387 7.299 1.00 0.00 H new ATOM 0 HA PHE A 14 -25.133 -6.448 5.362 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -25.765 -3.863 5.453 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -24.111 -3.608 4.934 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -27.175 -5.498 3.984 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -23.622 -3.626 2.665 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -27.863 -5.863 1.609 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -24.313 -3.990 0.290 1.00 0.00 H new ATOM 0 HZ PHE A 14 -26.424 -5.107 -0.209 1.00 0.00 H new ATOM 212 N GLY A 15 -22.173 -5.016 5.631 1.00 0.00 N ATOM 213 CA GLY A 15 -20.760 -5.195 5.342 1.00 0.00 C ATOM 214 C GLY A 15 -20.209 -6.435 6.048 1.00 0.00 C ATOM 215 O GLY A 15 -19.261 -7.056 5.570 1.00 0.00 O ATOM 0 H GLY A 15 -22.401 -4.153 6.125 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.614 -5.290 4.266 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -20.205 -4.313 5.662 1.00 0.00 H new ATOM 219 N SER A 16 -20.827 -6.759 7.174 1.00 0.00 N ATOM 220 CA SER A 16 -20.410 -7.914 7.951 1.00 0.00 C ATOM 221 C SER A 16 -20.711 -9.200 7.180 1.00 0.00 C ATOM 222 O SER A 16 -19.849 -10.068 7.052 1.00 0.00 O ATOM 223 CB SER A 16 -21.101 -7.939 9.316 1.00 0.00 C ATOM 224 OG SER A 16 -20.164 -7.958 10.389 1.00 0.00 O ATOM 0 H SER A 16 -21.613 -6.242 7.567 1.00 0.00 H new ATOM 0 HA SER A 16 -19.336 -7.842 8.120 1.00 0.00 H new ATOM 0 HB2 SER A 16 -21.745 -7.065 9.412 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.744 -8.817 9.381 1.00 0.00 H new ATOM 0 HG SER A 16 -20.645 -7.972 11.243 1.00 0.00 H new ATOM 230 N ILE A 17 -21.938 -9.282 6.686 1.00 0.00 N ATOM 231 CA ILE A 17 -22.364 -10.448 5.930 1.00 0.00 C ATOM 232 C ILE A 17 -21.630 -10.477 4.588 1.00 0.00 C ATOM 233 O ILE A 17 -20.785 -11.341 4.357 1.00 0.00 O ATOM 234 CB ILE A 17 -23.888 -10.473 5.798 1.00 0.00 C ATOM 235 CG1 ILE A 17 -24.555 -10.596 7.170 1.00 0.00 C ATOM 236 CG2 ILE A 17 -24.337 -11.579 4.841 1.00 0.00 C ATOM 237 CD1 ILE A 17 -24.198 -11.926 7.836 1.00 0.00 C ATOM 0 H ILE A 17 -22.651 -8.560 6.794 1.00 0.00 H new ATOM 0 HA ILE A 17 -22.098 -11.363 6.459 1.00 0.00 H new ATOM 0 HB ILE A 17 -24.210 -9.525 5.368 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -24.239 -9.770 7.807 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -25.637 -10.519 7.061 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -25.424 -11.575 4.765 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.904 -11.406 3.856 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -24.003 -12.545 5.219 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -24.685 -11.988 8.809 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -24.537 -12.750 7.208 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -23.118 -11.989 7.966 1.00 0.00 H new ATOM 249 N PHE A 18 -21.979 -9.522 3.739 1.00 0.00 N ATOM 250 CA PHE A 18 -21.363 -9.427 2.426 1.00 0.00 C ATOM 251 C PHE A 18 -19.852 -9.653 2.510 1.00 0.00 C ATOM 252 O PHE A 18 -19.294 -10.433 1.740 1.00 0.00 O ATOM 253 CB PHE A 18 -21.627 -8.011 1.909 1.00 0.00 C ATOM 254 CG PHE A 18 -22.192 -7.962 0.489 1.00 0.00 C ATOM 255 CD1 PHE A 18 -23.526 -8.130 0.281 1.00 0.00 C ATOM 256 CD2 PHE A 18 -21.361 -7.750 -0.567 1.00 0.00 C ATOM 257 CE1 PHE A 18 -24.051 -8.085 -1.037 1.00 0.00 C ATOM 258 CE2 PHE A 18 -21.886 -7.704 -1.886 1.00 0.00 C ATOM 259 CZ PHE A 18 -23.220 -7.872 -2.093 1.00 0.00 C ATOM 0 H PHE A 18 -22.680 -8.807 3.934 1.00 0.00 H new ATOM 0 HA PHE A 18 -21.780 -10.186 1.764 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -22.324 -7.513 2.583 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -20.696 -7.445 1.938 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -24.186 -8.298 1.119 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -20.302 -7.617 -0.402 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -25.110 -8.220 -1.202 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -21.226 -7.536 -2.724 1.00 0.00 H new ATOM 0 HZ PHE A 18 -23.619 -7.836 -3.096 1.00 0.00 H new ATOM 441 N ILE A 30 -6.546 -6.913 -9.295 1.00 0.00 N ATOM 442 CA ILE A 30 -7.189 -6.281 -8.155 1.00 0.00 C ATOM 443 C ILE A 30 -6.118 -5.767 -7.191 1.00 0.00 C ATOM 444 O ILE A 30 -6.343 -4.797 -6.469 1.00 0.00 O ATOM 445 CB ILE A 30 -8.191 -7.239 -7.507 1.00 0.00 C ATOM 446 CG1 ILE A 30 -9.193 -6.477 -6.636 1.00 0.00 C ATOM 447 CG2 ILE A 30 -7.471 -8.339 -6.724 1.00 0.00 C ATOM 448 CD1 ILE A 30 -8.530 -5.971 -5.353 1.00 0.00 C ATOM 0 HA ILE A 30 -7.770 -5.417 -8.476 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.758 -7.727 -8.299 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.600 -5.635 -7.196 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -10.031 -7.128 -6.385 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.206 -9.006 -6.274 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.831 -8.907 -7.399 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.862 -7.889 -5.940 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.263 -5.433 -4.752 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.145 -6.817 -4.784 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.708 -5.301 -5.608 1.00 0.00 H new ATOM 460 N ALA A 31 -4.977 -6.439 -7.211 1.00 0.00 N ATOM 461 CA ALA A 31 -3.871 -6.062 -6.348 1.00 0.00 C ATOM 462 C ALA A 31 -3.342 -4.691 -6.773 1.00 0.00 C ATOM 463 O ALA A 31 -3.212 -3.788 -5.948 1.00 0.00 O ATOM 464 CB ALA A 31 -2.791 -7.144 -6.399 1.00 0.00 C ATOM 0 H ALA A 31 -4.794 -7.243 -7.812 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.203 -5.981 -5.313 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.961 -6.861 -5.751 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.209 -8.092 -6.060 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.432 -7.252 -7.423 1.00 0.00 H new ATOM 470 N GLY A 32 -3.052 -4.577 -8.061 1.00 0.00 N ATOM 471 CA GLY A 32 -2.540 -3.332 -8.606 1.00 0.00 C ATOM 472 C GLY A 32 -3.524 -2.184 -8.369 1.00 0.00 C ATOM 473 O GLY A 32 -3.186 -1.197 -7.717 1.00 0.00 O ATOM 0 H GLY A 32 -3.162 -5.327 -8.743 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.582 -3.095 -8.144 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.359 -3.446 -9.675 1.00 0.00 H new ATOM 477 N LEU A 33 -4.722 -2.352 -8.910 1.00 0.00 N ATOM 478 CA LEU A 33 -5.757 -1.343 -8.765 1.00 0.00 C ATOM 479 C LEU A 33 -5.822 -0.892 -7.305 1.00 0.00 C ATOM 480 O LEU A 33 -5.727 0.300 -7.015 1.00 0.00 O ATOM 481 CB LEU A 33 -7.090 -1.861 -9.309 1.00 0.00 C ATOM 482 CG LEU A 33 -8.333 -1.067 -8.904 1.00 0.00 C ATOM 483 CD1 LEU A 33 -8.884 -0.270 -10.089 1.00 0.00 C ATOM 484 CD2 LEU A 33 -9.393 -1.982 -8.287 1.00 0.00 C ATOM 0 H LEU A 33 -4.999 -3.172 -9.450 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.517 -0.462 -9.361 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.033 -1.879 -10.397 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.218 -2.892 -8.979 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.044 -0.348 -8.138 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.767 0.286 -9.775 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.124 0.427 -10.444 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.153 -0.954 -10.894 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.266 -1.391 -8.008 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.685 -2.741 -9.013 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.984 -2.466 -7.400 1.00 0.00 H new ATOM 496 N PHE A 34 -5.985 -1.868 -6.423 1.00 0.00 N ATOM 497 CA PHE A 34 -6.064 -1.586 -5.000 1.00 0.00 C ATOM 498 C PHE A 34 -4.937 -0.647 -4.564 1.00 0.00 C ATOM 499 O PHE A 34 -5.191 0.393 -3.957 1.00 0.00 O ATOM 500 CB PHE A 34 -5.910 -2.922 -4.270 1.00 0.00 C ATOM 501 CG PHE A 34 -6.015 -2.815 -2.748 1.00 0.00 C ATOM 502 CD1 PHE A 34 -4.907 -2.548 -2.006 1.00 0.00 C ATOM 503 CD2 PHE A 34 -7.218 -2.985 -2.136 1.00 0.00 C ATOM 504 CE1 PHE A 34 -5.004 -2.449 -0.593 1.00 0.00 C ATOM 505 CE2 PHE A 34 -7.315 -2.886 -0.722 1.00 0.00 C ATOM 506 CZ PHE A 34 -6.207 -2.620 0.019 1.00 0.00 C ATOM 0 H PHE A 34 -6.064 -2.855 -6.667 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.013 -1.103 -4.768 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.675 -3.611 -4.629 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.944 -3.356 -4.528 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.952 -2.411 -2.492 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.099 -3.195 -2.725 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.123 -2.238 -0.004 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.270 -3.022 -0.236 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.282 -2.544 1.094 1.00 0.00 H new ATOM 516 N VAL A 35 -3.717 -1.047 -4.890 1.00 0.00 N ATOM 517 CA VAL A 35 -2.551 -0.255 -4.539 1.00 0.00 C ATOM 518 C VAL A 35 -2.716 1.162 -5.094 1.00 0.00 C ATOM 519 O VAL A 35 -2.264 2.128 -4.483 1.00 0.00 O ATOM 520 CB VAL A 35 -1.279 -0.946 -5.035 1.00 0.00 C ATOM 521 CG1 VAL A 35 -0.042 -0.096 -4.740 1.00 0.00 C ATOM 522 CG2 VAL A 35 -1.143 -2.343 -4.427 1.00 0.00 C ATOM 0 H VAL A 35 -3.511 -1.910 -5.394 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.459 -0.172 -3.456 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.357 -1.057 -6.116 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.848 -0.610 -5.103 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.134 0.867 -5.242 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.043 0.062 -3.665 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.231 -2.813 -4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.097 -2.264 -3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.004 -2.949 -4.711 1.00 0.00 H new ATOM 532 N GLY A 36 -3.367 1.239 -6.246 1.00 0.00 N ATOM 533 CA GLY A 36 -3.598 2.521 -6.890 1.00 0.00 C ATOM 534 C GLY A 36 -4.612 3.354 -6.104 1.00 0.00 C ATOM 535 O GLY A 36 -4.446 4.564 -5.958 1.00 0.00 O ATOM 0 H GLY A 36 -3.741 0.435 -6.750 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.658 3.067 -6.970 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.962 2.362 -7.905 1.00 0.00 H new ATOM 539 N CYS A 37 -5.640 2.674 -5.620 1.00 0.00 N ATOM 540 CA CYS A 37 -6.681 3.337 -4.853 1.00 0.00 C ATOM 541 C CYS A 37 -6.068 3.838 -3.543 1.00 0.00 C ATOM 542 O CYS A 37 -6.184 5.016 -3.210 1.00 0.00 O ATOM 543 CB CYS A 37 -7.877 2.415 -4.607 1.00 0.00 C ATOM 544 SG CYS A 37 -9.255 2.865 -5.724 1.00 0.00 S ATOM 0 H CYS A 37 -5.775 1.671 -5.744 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.069 4.184 -5.419 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.587 1.378 -4.774 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.199 2.493 -3.569 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.264 2.075 -5.508 1.00 0.00 H new ATOM 550 N LEU A 38 -5.430 2.917 -2.836 1.00 0.00 N ATOM 551 CA LEU A 38 -4.798 3.251 -1.570 1.00 0.00 C ATOM 552 C LEU A 38 -3.679 4.264 -1.815 1.00 0.00 C ATOM 553 O LEU A 38 -3.338 5.044 -0.928 1.00 0.00 O ATOM 554 CB LEU A 38 -4.333 1.982 -0.853 1.00 0.00 C ATOM 555 CG LEU A 38 -2.940 1.472 -1.227 1.00 0.00 C ATOM 556 CD1 LEU A 38 -1.858 2.187 -0.415 1.00 0.00 C ATOM 557 CD2 LEU A 38 -2.855 -0.049 -1.082 1.00 0.00 C ATOM 0 H LEU A 38 -5.337 1.940 -3.115 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.515 3.724 -0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.354 2.167 0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.054 1.190 -1.054 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.762 1.705 -2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.877 1.806 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.903 3.258 -0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.022 2.007 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.854 -0.385 -1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.063 -0.328 -0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.587 -0.519 -1.739 1.00 0.00 H new ATOM 569 N ALA A 39 -3.138 4.220 -3.024 1.00 0.00 N ATOM 570 CA ALA A 39 -2.064 5.124 -3.397 1.00 0.00 C ATOM 571 C ALA A 39 -2.582 6.564 -3.368 1.00 0.00 C ATOM 572 O ALA A 39 -2.055 7.402 -2.639 1.00 0.00 O ATOM 573 CB ALA A 39 -1.516 4.729 -4.770 1.00 0.00 C ATOM 0 H ALA A 39 -3.424 3.572 -3.758 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.241 5.055 -2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.710 5.408 -5.049 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.134 3.709 -4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.313 4.788 -5.511 1.00 0.00 H new ATOM 579 N GLY A 40 -3.608 6.805 -4.171 1.00 0.00 N ATOM 580 CA GLY A 40 -4.203 8.128 -4.247 1.00 0.00 C ATOM 581 C GLY A 40 -4.968 8.460 -2.964 1.00 0.00 C ATOM 582 O GLY A 40 -4.606 9.391 -2.245 1.00 0.00 O ATOM 0 H GLY A 40 -4.042 6.107 -4.774 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.424 8.872 -4.413 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.879 8.178 -5.101 1.00 0.00 H new ATOM 768 N ASP A 52 5.089 11.072 -6.891 1.00 0.00 N ATOM 769 CA ASP A 52 4.082 10.560 -7.805 1.00 0.00 C ATOM 770 C ASP A 52 4.301 9.059 -8.010 1.00 0.00 C ATOM 771 O ASP A 52 3.388 8.261 -7.805 1.00 0.00 O ATOM 772 CB ASP A 52 4.180 11.243 -9.170 1.00 0.00 C ATOM 773 CG ASP A 52 2.987 12.128 -9.537 1.00 0.00 C ATOM 774 OD1 ASP A 52 1.972 11.501 -10.026 1.00 0.00 O ATOM 775 OD2 ASP A 52 3.026 13.356 -9.364 1.00 0.00 O ATOM 0 HA ASP A 52 3.101 10.758 -7.372 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.084 11.851 -9.191 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.294 10.476 -9.936 1.00 0.00 H new ATOM 780 N VAL A 53 5.517 8.721 -8.412 1.00 0.00 N ATOM 781 CA VAL A 53 5.868 7.331 -8.647 1.00 0.00 C ATOM 782 C VAL A 53 6.587 6.775 -7.416 1.00 0.00 C ATOM 783 O VAL A 53 6.799 5.568 -7.308 1.00 0.00 O ATOM 784 CB VAL A 53 6.695 7.209 -9.929 1.00 0.00 C ATOM 785 CG1 VAL A 53 7.081 5.753 -10.195 1.00 0.00 C ATOM 786 CG2 VAL A 53 5.947 7.806 -11.123 1.00 0.00 C ATOM 0 H VAL A 53 6.272 9.386 -8.581 1.00 0.00 H new ATOM 0 HA VAL A 53 4.970 6.731 -8.797 1.00 0.00 H new ATOM 0 HB VAL A 53 7.614 7.779 -9.791 1.00 0.00 H new ATOM 0 HG11 VAL A 53 7.668 5.694 -11.112 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.672 5.375 -9.361 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.179 5.151 -10.303 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.557 7.706 -12.021 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.005 7.277 -11.264 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.746 8.861 -10.936 1.00 0.00 H new ATOM 796 N LYS A 54 6.943 7.683 -6.519 1.00 0.00 N ATOM 797 CA LYS A 54 7.634 7.299 -5.300 1.00 0.00 C ATOM 798 C LYS A 54 6.755 6.332 -4.503 1.00 0.00 C ATOM 799 O LYS A 54 7.220 5.279 -4.069 1.00 0.00 O ATOM 800 CB LYS A 54 8.055 8.539 -4.509 1.00 0.00 C ATOM 801 CG LYS A 54 9.428 9.039 -4.965 1.00 0.00 C ATOM 802 CD LYS A 54 9.746 10.403 -4.350 1.00 0.00 C ATOM 803 CE LYS A 54 11.239 10.531 -4.041 1.00 0.00 C ATOM 804 NZ LYS A 54 11.872 11.523 -4.939 1.00 0.00 N ATOM 0 H LYS A 54 6.766 8.683 -6.612 1.00 0.00 H new ATOM 0 HA LYS A 54 8.558 6.771 -5.537 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.314 9.328 -4.641 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.084 8.304 -3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.195 8.319 -4.679 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.450 9.112 -6.052 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.444 11.194 -5.036 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.169 10.537 -3.435 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.377 10.832 -3.002 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.725 9.563 -4.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.885 11.597 -4.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.757 11.220 -5.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.419 12.450 -4.806 1.00 0.00 H new ATOM 818 N VAL A 55 5.500 6.724 -4.336 1.00 0.00 N ATOM 819 CA VAL A 55 4.552 5.905 -3.600 1.00 0.00 C ATOM 820 C VAL A 55 4.162 4.694 -4.450 1.00 0.00 C ATOM 821 O VAL A 55 3.932 3.608 -3.922 1.00 0.00 O ATOM 822 CB VAL A 55 3.349 6.750 -3.176 1.00 0.00 C ATOM 823 CG1 VAL A 55 2.511 7.158 -4.389 1.00 0.00 C ATOM 824 CG2 VAL A 55 2.496 6.010 -2.143 1.00 0.00 C ATOM 0 H VAL A 55 5.118 7.598 -4.698 1.00 0.00 H new ATOM 0 HA VAL A 55 5.006 5.526 -2.684 1.00 0.00 H new ATOM 0 HB VAL A 55 3.726 7.660 -2.709 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.662 7.758 -4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.124 7.743 -5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.148 6.265 -4.898 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.648 6.632 -1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.133 5.076 -2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.099 5.793 -1.261 1.00 0.00 H new ATOM 834 N SER A 56 4.100 4.923 -5.754 1.00 0.00 N ATOM 835 CA SER A 56 3.742 3.864 -6.683 1.00 0.00 C ATOM 836 C SER A 56 4.636 2.644 -6.456 1.00 0.00 C ATOM 837 O SER A 56 4.142 1.549 -6.190 1.00 0.00 O ATOM 838 CB SER A 56 3.854 4.342 -8.132 1.00 0.00 C ATOM 839 OG SER A 56 2.984 3.621 -9.000 1.00 0.00 O ATOM 0 H SER A 56 4.291 5.826 -6.189 1.00 0.00 H new ATOM 0 HA SER A 56 2.704 3.585 -6.500 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.618 5.405 -8.183 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.883 4.228 -8.473 1.00 0.00 H new ATOM 0 HG SER A 56 3.006 4.023 -9.893 1.00 0.00 H new ATOM 845 N LEU A 57 5.936 2.873 -6.568 1.00 0.00 N ATOM 846 CA LEU A 57 6.904 1.806 -6.379 1.00 0.00 C ATOM 847 C LEU A 57 6.982 1.453 -4.892 1.00 0.00 C ATOM 848 O LEU A 57 6.669 0.330 -4.499 1.00 0.00 O ATOM 849 CB LEU A 57 8.252 2.190 -6.992 1.00 0.00 C ATOM 850 CG LEU A 57 8.922 1.123 -7.859 1.00 0.00 C ATOM 851 CD1 LEU A 57 8.781 1.457 -9.346 1.00 0.00 C ATOM 852 CD2 LEU A 57 10.384 0.924 -7.453 1.00 0.00 C ATOM 0 H LEU A 57 6.342 3.783 -6.787 1.00 0.00 H new ATOM 0 HA LEU A 57 6.587 0.906 -6.905 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.112 3.086 -7.597 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.934 2.454 -6.184 1.00 0.00 H new ATOM 0 HG LEU A 57 8.410 0.176 -7.691 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.266 0.683 -9.940 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.724 1.508 -9.609 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.252 2.419 -9.549 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.836 0.160 -8.085 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.926 1.862 -7.573 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.432 0.608 -6.411 1.00 0.00 H new ATOM 864 N PHE A 58 7.402 2.433 -4.105 1.00 0.00 N ATOM 865 CA PHE A 58 7.526 2.240 -2.670 1.00 0.00 C ATOM 866 C PHE A 58 6.397 1.356 -2.137 1.00 0.00 C ATOM 867 O PHE A 58 6.628 0.489 -1.295 1.00 0.00 O ATOM 868 CB PHE A 58 7.424 3.623 -2.023 1.00 0.00 C ATOM 869 CG PHE A 58 7.451 3.597 -0.493 1.00 0.00 C ATOM 870 CD1 PHE A 58 8.640 3.636 0.167 1.00 0.00 C ATOM 871 CD2 PHE A 58 6.287 3.534 0.207 1.00 0.00 C ATOM 872 CE1 PHE A 58 8.665 3.612 1.586 1.00 0.00 C ATOM 873 CE2 PHE A 58 6.312 3.510 1.626 1.00 0.00 C ATOM 874 CZ PHE A 58 7.501 3.549 2.286 1.00 0.00 C ATOM 0 H PHE A 58 7.661 3.363 -4.434 1.00 0.00 H new ATOM 0 HA PHE A 58 8.473 1.752 -2.440 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.247 4.242 -2.380 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.501 4.100 -2.352 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.565 3.685 -0.389 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.343 3.502 -0.317 1.00 0.00 H new ATOM 0 HE1 PHE A 58 9.609 3.644 2.110 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.387 3.461 2.182 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.520 3.530 3.366 1.00 0.00 H new ATOM 884 N THR A 59 5.201 1.605 -2.648 1.00 0.00 N ATOM 885 CA THR A 59 4.036 0.843 -2.234 1.00 0.00 C ATOM 886 C THR A 59 4.088 -0.571 -2.817 1.00 0.00 C ATOM 887 O THR A 59 4.098 -1.552 -2.076 1.00 0.00 O ATOM 888 CB THR A 59 2.787 1.624 -2.647 1.00 0.00 C ATOM 889 OG1 THR A 59 2.879 2.840 -1.910 1.00 0.00 O ATOM 890 CG2 THR A 59 1.497 0.978 -2.140 1.00 0.00 C ATOM 0 H THR A 59 5.013 2.325 -3.346 1.00 0.00 H new ATOM 0 HA THR A 59 4.013 0.714 -1.152 1.00 0.00 H new ATOM 0 HB THR A 59 2.751 1.701 -3.734 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.529 3.434 -2.339 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.642 1.573 -2.461 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.411 -0.030 -2.546 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.517 0.930 -1.051 1.00 0.00 H new ATOM 898 N ALA A 60 4.121 -0.629 -4.141 1.00 0.00 N ATOM 899 CA ALA A 60 4.173 -1.906 -4.832 1.00 0.00 C ATOM 900 C ALA A 60 5.129 -2.844 -4.092 1.00 0.00 C ATOM 901 O ALA A 60 4.828 -4.022 -3.905 1.00 0.00 O ATOM 902 CB ALA A 60 4.587 -1.682 -6.288 1.00 0.00 C ATOM 0 H ALA A 60 4.113 0.187 -4.753 1.00 0.00 H new ATOM 0 HA ALA A 60 3.190 -2.377 -4.841 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.626 -2.640 -6.807 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.860 -1.034 -6.777 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.570 -1.212 -6.319 1.00 0.00 H new ATOM 908 N PHE A 61 6.261 -2.286 -3.690 1.00 0.00 N ATOM 909 CA PHE A 61 7.263 -3.058 -2.975 1.00 0.00 C ATOM 910 C PHE A 61 6.787 -3.398 -1.561 1.00 0.00 C ATOM 911 O PHE A 61 6.933 -4.533 -1.110 1.00 0.00 O ATOM 912 CB PHE A 61 8.517 -2.186 -2.881 1.00 0.00 C ATOM 913 CG PHE A 61 9.592 -2.528 -3.915 1.00 0.00 C ATOM 914 CD1 PHE A 61 9.381 -2.255 -5.231 1.00 0.00 C ATOM 915 CD2 PHE A 61 10.758 -3.104 -3.518 1.00 0.00 C ATOM 916 CE1 PHE A 61 10.379 -2.573 -6.190 1.00 0.00 C ATOM 917 CE2 PHE A 61 11.755 -3.422 -4.477 1.00 0.00 C ATOM 918 CZ PHE A 61 11.545 -3.149 -5.793 1.00 0.00 C ATOM 0 H PHE A 61 6.507 -1.308 -3.846 1.00 0.00 H new ATOM 0 HA PHE A 61 7.456 -3.993 -3.500 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.230 -1.141 -3.002 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.943 -2.286 -1.883 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.455 -1.797 -5.546 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.926 -3.320 -2.473 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.212 -2.357 -7.235 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.681 -3.881 -4.162 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.304 -3.390 -6.522 1.00 0.00 H new ATOM 928 N PHE A 62 6.226 -2.395 -0.903 1.00 0.00 N ATOM 929 CA PHE A 62 5.727 -2.574 0.450 1.00 0.00 C ATOM 930 C PHE A 62 4.630 -3.640 0.493 1.00 0.00 C ATOM 931 O PHE A 62 4.793 -4.678 1.133 1.00 0.00 O ATOM 932 CB PHE A 62 5.135 -1.233 0.890 1.00 0.00 C ATOM 933 CG PHE A 62 5.007 -1.077 2.406 1.00 0.00 C ATOM 934 CD1 PHE A 62 6.114 -1.145 3.193 1.00 0.00 C ATOM 935 CD2 PHE A 62 3.785 -0.871 2.968 1.00 0.00 C ATOM 936 CE1 PHE A 62 5.994 -1.000 4.601 1.00 0.00 C ATOM 937 CE2 PHE A 62 3.666 -0.726 4.375 1.00 0.00 C ATOM 938 CZ PHE A 62 4.773 -0.794 5.162 1.00 0.00 C ATOM 0 H PHE A 62 6.106 -1.455 -1.281 1.00 0.00 H new ATOM 0 HA PHE A 62 6.536 -2.896 1.105 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.760 -0.428 0.504 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.150 -1.117 0.439 1.00 0.00 H new ATOM 0 HD1 PHE A 62 7.084 -1.309 2.748 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.906 -0.818 2.343 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.873 -1.053 5.226 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.696 -0.562 4.821 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.682 -0.684 6.233 1.00 0.00 H new ATOM 948 N LEU A 63 3.537 -3.347 -0.195 1.00 0.00 N ATOM 949 CA LEU A 63 2.413 -4.267 -0.243 1.00 0.00 C ATOM 950 C LEU A 63 2.903 -5.638 -0.715 1.00 0.00 C ATOM 951 O LEU A 63 2.520 -6.664 -0.155 1.00 0.00 O ATOM 952 CB LEU A 63 1.284 -3.689 -1.099 1.00 0.00 C ATOM 953 CG LEU A 63 -0.138 -3.963 -0.605 1.00 0.00 C ATOM 954 CD1 LEU A 63 -0.850 -2.660 -0.235 1.00 0.00 C ATOM 955 CD2 LEU A 63 -0.929 -4.776 -1.633 1.00 0.00 C ATOM 0 H LEU A 63 3.405 -2.485 -0.724 1.00 0.00 H new ATOM 0 HA LEU A 63 1.989 -4.404 0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.422 -2.610 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.380 -4.087 -2.109 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.075 -4.565 0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.859 -2.883 0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.296 -2.155 0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.903 -2.013 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.936 -4.957 -1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.986 -4.222 -2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.429 -5.729 -1.805 1.00 0.00 H new ATOM 967 N ALA A 64 3.741 -5.611 -1.741 1.00 0.00 N ATOM 968 CA ALA A 64 4.286 -6.838 -2.294 1.00 0.00 C ATOM 969 C ALA A 64 4.824 -7.710 -1.158 1.00 0.00 C ATOM 970 O ALA A 64 4.447 -8.874 -1.032 1.00 0.00 O ATOM 971 CB ALA A 64 5.362 -6.499 -3.328 1.00 0.00 C ATOM 0 H ALA A 64 4.056 -4.758 -2.204 1.00 0.00 H new ATOM 0 HA ALA A 64 3.509 -7.406 -2.806 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.771 -7.420 -3.743 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.923 -5.904 -4.129 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.160 -5.931 -2.850 1.00 0.00 H new ATOM 977 N THR A 65 5.696 -7.113 -0.359 1.00 0.00 N ATOM 978 CA THR A 65 6.290 -7.821 0.763 1.00 0.00 C ATOM 979 C THR A 65 5.199 -8.362 1.689 1.00 0.00 C ATOM 980 O THR A 65 5.200 -9.544 2.031 1.00 0.00 O ATOM 981 CB THR A 65 7.263 -6.869 1.461 1.00 0.00 C ATOM 982 OG1 THR A 65 8.417 -6.878 0.626 1.00 0.00 O ATOM 983 CG2 THR A 65 7.764 -7.420 2.797 1.00 0.00 C ATOM 0 H THR A 65 6.006 -6.147 -0.466 1.00 0.00 H new ATOM 0 HA THR A 65 6.851 -8.694 0.428 1.00 0.00 H new ATOM 0 HB THR A 65 6.775 -5.908 1.625 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.099 -6.284 1.004 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.451 -6.706 3.250 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.917 -7.583 3.464 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.281 -8.365 2.630 1.00 0.00 H new ATOM 991 N ILE A 66 4.295 -7.471 2.070 1.00 0.00 N ATOM 992 CA ILE A 66 3.201 -7.845 2.950 1.00 0.00 C ATOM 993 C ILE A 66 2.518 -9.100 2.404 1.00 0.00 C ATOM 994 O ILE A 66 2.545 -10.152 3.040 1.00 0.00 O ATOM 995 CB ILE A 66 2.248 -6.665 3.150 1.00 0.00 C ATOM 996 CG1 ILE A 66 2.966 -5.485 3.809 1.00 0.00 C ATOM 997 CG2 ILE A 66 1.006 -7.090 3.936 1.00 0.00 C ATOM 998 CD1 ILE A 66 2.145 -4.201 3.678 1.00 0.00 C ATOM 0 H ILE A 66 4.298 -6.492 1.785 1.00 0.00 H new ATOM 0 HA ILE A 66 3.578 -8.093 3.942 1.00 0.00 H new ATOM 0 HB ILE A 66 1.910 -6.330 2.169 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.140 -5.703 4.863 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.943 -5.345 3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.345 -6.232 4.064 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.481 -7.874 3.391 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.306 -7.466 4.914 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.678 -3.378 4.155 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.993 -3.972 2.623 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.178 -4.336 4.163 1.00 0.00 H new ATOM 1010 N MET A 67 1.923 -8.949 1.230 1.00 0.00 N ATOM 1011 CA MET A 67 1.234 -10.057 0.591 1.00 0.00 C ATOM 1012 C MET A 67 2.093 -11.323 0.616 1.00 0.00 C ATOM 1013 O MET A 67 1.755 -12.294 1.292 1.00 0.00 O ATOM 1014 CB MET A 67 0.909 -9.689 -0.858 1.00 0.00 C ATOM 1015 CG MET A 67 -0.603 -9.639 -1.085 1.00 0.00 C ATOM 1016 SD MET A 67 -1.004 -8.342 -2.243 1.00 0.00 S ATOM 1017 CE MET A 67 -0.562 -9.145 -3.775 1.00 0.00 C ATOM 0 H MET A 67 1.904 -8.075 0.704 1.00 0.00 H new ATOM 0 HA MET A 67 0.313 -10.254 1.140 1.00 0.00 H new ATOM 0 HB2 MET A 67 1.349 -8.721 -1.098 1.00 0.00 H new ATOM 0 HB3 MET A 67 1.358 -10.419 -1.532 1.00 0.00 H new ATOM 0 HG2 MET A 67 -0.954 -10.598 -1.465 1.00 0.00 H new ATOM 0 HG3 MET A 67 -1.115 -9.464 -0.139 1.00 0.00 H new ATOM 0 HE1 MET A 67 -0.718 -8.456 -4.605 1.00 0.00 H new ATOM 0 HE2 MET A 67 0.486 -9.441 -3.741 1.00 0.00 H new ATOM 0 HE3 MET A 67 -1.184 -10.029 -3.915 1.00 0.00 H new ATOM 1027 N GLY A 68 3.187 -11.273 -0.129 1.00 0.00 N ATOM 1028 CA GLY A 68 4.097 -12.404 -0.200 1.00 0.00 C ATOM 1029 C GLY A 68 3.385 -13.647 -0.736 1.00 0.00 C ATOM 1030 O GLY A 68 3.397 -14.698 -0.097 1.00 0.00 O ATOM 0 H GLY A 68 3.464 -10.467 -0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.940 -12.157 -0.845 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.503 -12.612 0.790 1.00 0.00 H new ATOM 1245 N ALA A 80 3.266 -8.831 -10.338 1.00 0.00 N ATOM 1246 CA ALA A 80 2.625 -8.691 -11.635 1.00 0.00 C ATOM 1247 C ALA A 80 1.513 -7.645 -11.540 1.00 0.00 C ATOM 1248 O ALA A 80 1.548 -6.631 -12.235 1.00 0.00 O ATOM 1249 CB ALA A 80 2.106 -10.054 -12.098 1.00 0.00 C ATOM 0 HA ALA A 80 3.340 -8.344 -12.381 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.625 -9.949 -13.071 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.939 -10.752 -12.178 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.383 -10.433 -11.375 1.00 0.00 H new ATOM 1255 N GLY A 81 0.551 -7.928 -10.673 1.00 0.00 N ATOM 1256 CA GLY A 81 -0.570 -7.025 -10.478 1.00 0.00 C ATOM 1257 C GLY A 81 -0.149 -5.795 -9.670 1.00 0.00 C ATOM 1258 O GLY A 81 -0.562 -4.677 -9.974 1.00 0.00 O ATOM 0 H GLY A 81 0.525 -8.770 -10.098 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.962 -6.712 -11.446 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.376 -7.546 -9.961 1.00 0.00 H new ATOM 1262 N LEU A 82 0.668 -6.044 -8.657 1.00 0.00 N ATOM 1263 CA LEU A 82 1.150 -4.971 -7.804 1.00 0.00 C ATOM 1264 C LEU A 82 1.916 -3.955 -8.653 1.00 0.00 C ATOM 1265 O LEU A 82 1.523 -2.792 -8.741 1.00 0.00 O ATOM 1266 CB LEU A 82 1.964 -5.537 -6.639 1.00 0.00 C ATOM 1267 CG LEU A 82 1.310 -5.450 -5.258 1.00 0.00 C ATOM 1268 CD1 LEU A 82 1.816 -6.565 -4.340 1.00 0.00 C ATOM 1269 CD2 LEU A 82 1.512 -4.064 -4.642 1.00 0.00 C ATOM 0 H LEU A 82 1.008 -6.973 -8.408 1.00 0.00 H new ATOM 0 HA LEU A 82 0.313 -4.441 -7.350 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.183 -6.584 -6.850 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.919 -5.013 -6.600 1.00 0.00 H new ATOM 0 HG LEU A 82 0.236 -5.595 -5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.336 -6.480 -3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.578 -7.534 -4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.896 -6.476 -4.221 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.038 -4.029 -3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.578 -3.865 -4.537 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.064 -3.310 -5.289 1.00 0.00 H new ATOM 1281 N VAL A 83 2.996 -4.429 -9.255 1.00 0.00 N ATOM 1282 CA VAL A 83 3.821 -3.577 -10.094 1.00 0.00 C ATOM 1283 C VAL A 83 2.956 -2.963 -11.197 1.00 0.00 C ATOM 1284 O VAL A 83 2.921 -1.744 -11.358 1.00 0.00 O ATOM 1285 CB VAL A 83 5.010 -4.371 -10.639 1.00 0.00 C ATOM 1286 CG1 VAL A 83 5.767 -3.567 -11.699 1.00 0.00 C ATOM 1287 CG2 VAL A 83 5.945 -4.803 -9.507 1.00 0.00 C ATOM 0 H VAL A 83 3.319 -5.393 -9.178 1.00 0.00 H new ATOM 0 HA VAL A 83 4.237 -2.755 -9.511 1.00 0.00 H new ATOM 0 HB VAL A 83 4.622 -5.271 -11.116 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.607 -4.154 -12.070 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.096 -3.332 -12.525 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.138 -2.642 -11.258 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.782 -5.366 -9.921 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.322 -3.921 -8.989 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.398 -5.431 -8.803 1.00 0.00 H new ATOM 1297 N ALA A 84 2.279 -3.837 -11.929 1.00 0.00 N ATOM 1298 CA ALA A 84 1.417 -3.396 -13.012 1.00 0.00 C ATOM 1299 C ALA A 84 0.480 -2.301 -12.499 1.00 0.00 C ATOM 1300 O ALA A 84 0.072 -1.423 -13.258 1.00 0.00 O ATOM 1301 CB ALA A 84 0.655 -4.596 -13.578 1.00 0.00 C ATOM 0 H ALA A 84 2.310 -4.847 -11.793 1.00 0.00 H new ATOM 0 HA ALA A 84 2.008 -2.971 -13.824 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.008 -4.266 -14.391 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.364 -5.332 -13.955 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.049 -5.046 -12.792 1.00 0.00 H new ATOM 1307 N GLY A 85 0.167 -2.387 -11.215 1.00 0.00 N ATOM 1308 CA GLY A 85 -0.714 -1.414 -10.592 1.00 0.00 C ATOM 1309 C GLY A 85 -0.021 -0.057 -10.454 1.00 0.00 C ATOM 1310 O GLY A 85 -0.569 0.968 -10.856 1.00 0.00 O ATOM 0 H GLY A 85 0.508 -3.116 -10.588 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.620 -1.305 -11.188 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.020 -1.772 -9.609 1.00 0.00 H new ATOM 1314 N LEU A 86 1.174 -0.094 -9.883 1.00 0.00 N ATOM 1315 CA LEU A 86 1.948 1.120 -9.687 1.00 0.00 C ATOM 1316 C LEU A 86 2.075 1.860 -11.020 1.00 0.00 C ATOM 1317 O LEU A 86 1.922 3.079 -11.074 1.00 0.00 O ATOM 1318 CB LEU A 86 3.292 0.798 -9.031 1.00 0.00 C ATOM 1319 CG LEU A 86 4.476 0.615 -9.984 1.00 0.00 C ATOM 1320 CD1 LEU A 86 5.095 1.964 -10.354 1.00 0.00 C ATOM 1321 CD2 LEU A 86 5.509 -0.347 -9.395 1.00 0.00 C ATOM 0 H LEU A 86 1.625 -0.946 -9.550 1.00 0.00 H new ATOM 0 HA LEU A 86 1.436 1.791 -8.998 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.534 1.599 -8.332 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.179 -0.114 -8.445 1.00 0.00 H new ATOM 0 HG LEU A 86 4.107 0.166 -10.906 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.934 1.806 -11.032 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.346 2.586 -10.843 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.447 2.463 -9.451 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.340 -0.460 -10.091 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.879 0.051 -8.450 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.045 -1.318 -9.223 1.00 0.00 H new ATOM 1333 N SER A 87 2.352 1.091 -12.063 1.00 0.00 N ATOM 1334 CA SER A 87 2.501 1.659 -13.392 1.00 0.00 C ATOM 1335 C SER A 87 1.195 2.325 -13.826 1.00 0.00 C ATOM 1336 O SER A 87 1.168 3.522 -14.110 1.00 0.00 O ATOM 1337 CB SER A 87 2.913 0.589 -14.405 1.00 0.00 C ATOM 1338 OG SER A 87 4.193 0.855 -14.972 1.00 0.00 O ATOM 0 H SER A 87 2.477 0.080 -12.015 1.00 0.00 H new ATOM 0 HA SER A 87 3.290 2.410 -13.356 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.928 -0.386 -13.917 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.169 0.536 -15.199 1.00 0.00 H new ATOM 0 HG SER A 87 4.420 0.149 -15.612 1.00 0.00 H new ATOM 1344 N LEU A 88 0.142 1.522 -13.864 1.00 0.00 N ATOM 1345 CA LEU A 88 -1.165 2.019 -14.258 1.00 0.00 C ATOM 1346 C LEU A 88 -1.494 3.275 -13.449 1.00 0.00 C ATOM 1347 O LEU A 88 -2.199 4.161 -13.930 1.00 0.00 O ATOM 1348 CB LEU A 88 -2.218 0.915 -14.136 1.00 0.00 C ATOM 1349 CG LEU A 88 -2.892 0.483 -15.440 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -3.703 -0.798 -15.239 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -3.743 1.616 -16.018 1.00 0.00 C ATOM 0 H LEU A 88 0.167 0.530 -13.628 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.161 2.309 -15.309 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.748 0.040 -13.686 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.991 1.252 -13.445 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.114 0.260 -16.170 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.172 -1.083 -16.181 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.042 -1.598 -14.905 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.474 -0.627 -14.487 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.211 1.283 -16.944 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.515 1.893 -15.301 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.110 2.479 -16.221 1.00 0.00 H new ATOM 1363 N MET A 89 -0.969 3.311 -12.233 1.00 0.00 N ATOM 1364 CA MET A 89 -1.198 4.443 -11.352 1.00 0.00 C ATOM 1365 C MET A 89 -0.541 5.710 -11.905 1.00 0.00 C ATOM 1366 O MET A 89 -1.229 6.651 -12.295 1.00 0.00 O ATOM 1367 CB MET A 89 -0.628 4.136 -9.966 1.00 0.00 C ATOM 1368 CG MET A 89 -1.289 5.007 -8.896 1.00 0.00 C ATOM 1369 SD MET A 89 -0.041 5.775 -7.877 1.00 0.00 S ATOM 1370 CE MET A 89 0.424 7.138 -8.932 1.00 0.00 C ATOM 0 H MET A 89 -0.386 2.574 -11.837 1.00 0.00 H new ATOM 0 HA MET A 89 -2.272 4.613 -11.283 1.00 0.00 H new ATOM 0 HB2 MET A 89 -0.783 3.083 -9.730 1.00 0.00 H new ATOM 0 HB3 MET A 89 0.448 4.307 -9.965 1.00 0.00 H new ATOM 0 HG2 MET A 89 -1.906 5.772 -9.368 1.00 0.00 H new ATOM 0 HG3 MET A 89 -1.951 4.400 -8.279 1.00 0.00 H new ATOM 0 HE1 MET A 89 0.630 8.017 -8.321 1.00 0.00 H new ATOM 0 HE2 MET A 89 1.317 6.872 -9.498 1.00 0.00 H new ATOM 0 HE3 MET A 89 -0.391 7.359 -9.622 1.00 0.00 H new ATOM 1380 N MET A 90 0.784 5.692 -11.920 1.00 0.00 N ATOM 1381 CA MET A 90 1.542 6.827 -12.418 1.00 0.00 C ATOM 1382 C MET A 90 0.992 7.305 -13.764 1.00 0.00 C ATOM 1383 O MET A 90 1.060 8.492 -14.079 1.00 0.00 O ATOM 1384 CB MET A 90 3.011 6.429 -12.579 1.00 0.00 C ATOM 1385 CG MET A 90 3.149 5.189 -13.464 1.00 0.00 C ATOM 1386 SD MET A 90 4.839 5.016 -14.013 1.00 0.00 S ATOM 1387 CE MET A 90 4.926 6.366 -15.178 1.00 0.00 C ATOM 0 H MET A 90 1.352 4.909 -11.595 1.00 0.00 H new ATOM 0 HA MET A 90 1.454 7.642 -11.700 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.570 7.256 -13.016 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.448 6.232 -11.600 1.00 0.00 H new ATOM 0 HG2 MET A 90 2.845 4.301 -12.910 1.00 0.00 H new ATOM 0 HG3 MET A 90 2.485 5.270 -14.324 1.00 0.00 H new ATOM 0 HE1 MET A 90 5.183 5.980 -16.164 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.960 6.868 -15.226 1.00 0.00 H new ATOM 0 HE3 MET A 90 5.688 7.076 -14.856 1.00 0.00 H new ATOM 1397 N ILE A 91 0.460 6.357 -14.520 1.00 0.00 N ATOM 1398 CA ILE A 91 -0.101 6.666 -15.824 1.00 0.00 C ATOM 1399 C ILE A 91 -1.496 7.269 -15.645 1.00 0.00 C ATOM 1400 O ILE A 91 -1.918 8.112 -16.434 1.00 0.00 O ATOM 1401 CB ILE A 91 -0.076 5.430 -16.725 1.00 0.00 C ATOM 1402 CG1 ILE A 91 1.314 5.219 -17.329 1.00 0.00 C ATOM 1403 CG2 ILE A 91 -1.161 5.514 -17.801 1.00 0.00 C ATOM 1404 CD1 ILE A 91 1.496 3.772 -17.792 1.00 0.00 C ATOM 0 H ILE A 91 0.405 5.374 -14.255 1.00 0.00 H new ATOM 0 HA ILE A 91 0.507 7.414 -16.332 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.297 4.556 -16.112 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.454 5.895 -18.172 1.00 0.00 H new ATOM 0 HG13 ILE A 91 2.077 5.467 -16.591 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.121 4.623 -18.428 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.140 5.580 -17.326 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.995 6.398 -18.416 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.492 3.649 -18.217 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.379 3.100 -16.942 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.747 3.535 -18.547 1.00 0.00 H new ATOM 1416 N LEU A 92 -2.172 6.813 -14.601 1.00 0.00 N ATOM 1417 CA LEU A 92 -3.511 7.296 -14.308 1.00 0.00 C ATOM 1418 C LEU A 92 -3.425 8.723 -13.763 1.00 0.00 C ATOM 1419 O LEU A 92 -4.395 9.477 -13.830 1.00 0.00 O ATOM 1420 CB LEU A 92 -4.239 6.325 -13.376 1.00 0.00 C ATOM 1421 CG LEU A 92 -5.015 6.960 -12.220 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -6.096 6.011 -11.699 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -4.068 7.415 -11.108 1.00 0.00 C ATOM 0 H LEU A 92 -1.818 6.114 -13.948 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.109 7.337 -15.218 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.933 5.732 -13.972 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.506 5.634 -12.959 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.521 7.849 -12.596 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.633 6.486 -10.878 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.795 5.779 -12.503 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.632 5.091 -11.344 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.645 7.863 -10.299 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.515 6.556 -10.727 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.368 8.151 -11.504 1.00 0.00 H new ATOM 1435 N ARG A 93 -2.254 9.052 -13.236 1.00 0.00 N ATOM 1436 CA ARG A 93 -2.029 10.376 -12.681 1.00 0.00 C ATOM 1437 C ARG A 93 -1.488 11.318 -13.757 1.00 0.00 C ATOM 1438 O ARG A 93 -1.959 12.446 -13.894 1.00 0.00 O ATOM 1439 CB ARG A 93 -1.040 10.323 -11.515 1.00 0.00 C ATOM 1440 CG ARG A 93 -1.762 10.477 -10.175 1.00 0.00 C ATOM 1441 CD ARG A 93 -1.248 11.699 -9.412 1.00 0.00 C ATOM 1442 NE ARG A 93 -2.289 12.751 -9.382 1.00 0.00 N ATOM 1443 CZ ARG A 93 -2.109 13.970 -8.856 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -0.929 14.299 -8.313 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -3.110 14.861 -8.873 1.00 0.00 N ATOM 0 H ARG A 93 -1.452 8.425 -13.182 1.00 0.00 H new ATOM 0 HA ARG A 93 -2.986 10.749 -12.315 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.500 9.376 -11.534 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.299 11.115 -11.626 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.834 10.575 -10.345 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.615 9.580 -9.573 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.976 11.415 -8.395 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -0.345 12.082 -9.888 1.00 0.00 H new ATOM 0 HE ARG A 93 -3.200 12.534 -9.787 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.167 13.621 -8.300 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -0.793 15.227 -7.913 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -4.008 14.611 -9.286 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.973 15.789 -8.473 1.00 0.00 H new ATOM 1459 N LEU A 94 -0.505 10.821 -14.494 1.00 0.00 N ATOM 1460 CA LEU A 94 0.105 11.605 -15.555 1.00 0.00 C ATOM 1461 C LEU A 94 -0.938 11.893 -16.636 1.00 0.00 C ATOM 1462 O LEU A 94 -0.738 12.764 -17.481 1.00 0.00 O ATOM 1463 CB LEU A 94 1.360 10.907 -16.082 1.00 0.00 C ATOM 1464 CG LEU A 94 2.517 11.823 -16.488 1.00 0.00 C ATOM 1465 CD1 LEU A 94 3.541 11.947 -15.358 1.00 0.00 C ATOM 1466 CD2 LEU A 94 3.159 11.349 -17.794 1.00 0.00 C ATOM 0 H LEU A 94 -0.116 9.885 -14.377 1.00 0.00 H new ATOM 0 HA LEU A 94 0.441 12.569 -15.172 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.718 10.220 -15.315 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.080 10.303 -16.945 1.00 0.00 H new ATOM 0 HG LEU A 94 2.116 12.820 -16.669 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.352 12.603 -15.673 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.059 12.364 -14.474 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.942 10.962 -15.121 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.978 12.017 -18.060 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.543 10.337 -17.664 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.413 11.355 -18.589 1.00 0.00 H new ATOM 1478 N VAL A 95 -2.030 11.145 -16.573 1.00 0.00 N ATOM 1479 CA VAL A 95 -3.106 11.309 -17.536 1.00 0.00 C ATOM 1480 C VAL A 95 -3.879 12.590 -17.217 1.00 0.00 C ATOM 1481 O VAL A 95 -3.864 13.540 -17.999 1.00 0.00 O ATOM 1482 CB VAL A 95 -3.993 10.063 -17.548 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -5.408 10.401 -18.020 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -3.376 8.959 -18.410 1.00 0.00 C ATOM 0 H VAL A 95 -2.193 10.424 -15.870 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.704 11.414 -18.544 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.061 9.691 -16.526 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.017 9.497 -18.019 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.849 11.137 -17.348 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.367 10.810 -19.030 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.026 8.084 -18.401 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.263 9.317 -19.433 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.399 8.688 -18.010 1.00 0.00 H new ATOM 1494 N LEU A 96 -4.537 12.575 -16.067 1.00 0.00 N ATOM 1495 CA LEU A 96 -5.315 13.724 -15.635 1.00 0.00 C ATOM 1496 C LEU A 96 -4.396 14.940 -15.513 1.00 0.00 C ATOM 1497 O LEU A 96 -4.829 16.073 -15.720 1.00 0.00 O ATOM 1498 CB LEU A 96 -6.080 13.400 -14.350 1.00 0.00 C ATOM 1499 CG LEU A 96 -5.324 13.639 -13.041 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -5.973 14.762 -12.230 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -5.203 12.345 -12.233 1.00 0.00 C ATOM 0 H LEU A 96 -4.547 11.786 -15.421 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.074 13.971 -16.377 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.992 13.996 -14.334 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.384 12.354 -14.385 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.312 13.962 -13.286 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.416 14.911 -11.305 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.963 15.684 -12.812 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.003 14.492 -11.994 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.662 12.543 -11.308 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.198 11.969 -11.998 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.662 11.600 -12.817 1.00 0.00 H new