USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=9 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 92:sc= 0.172 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 -141:sc= 0.91 USER MOD Single : A 59 THR OG1 : rot 94:sc= 0.967 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -120:sc= -4.41 (180deg=-8.07!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 102 N TYR A 8 -7.621 -31.342 -33.219 1.00 0.00 N ATOM 103 CA TYR A 8 -7.396 -30.867 -31.864 1.00 0.00 C ATOM 104 C TYR A 8 -6.042 -30.165 -31.746 1.00 0.00 C ATOM 105 O TYR A 8 -5.960 -29.048 -31.238 1.00 0.00 O ATOM 106 CB TYR A 8 -7.390 -32.113 -30.976 1.00 0.00 C ATOM 107 CG TYR A 8 -7.721 -31.833 -29.509 1.00 0.00 C ATOM 108 CD1 TYR A 8 -8.888 -31.176 -29.178 1.00 0.00 C ATOM 109 CD2 TYR A 8 -6.852 -32.239 -28.516 1.00 0.00 C ATOM 110 CE1 TYR A 8 -9.200 -30.912 -27.797 1.00 0.00 C ATOM 111 CE2 TYR A 8 -7.164 -31.976 -27.135 1.00 0.00 C ATOM 112 CZ TYR A 8 -8.322 -31.325 -26.844 1.00 0.00 C ATOM 113 OH TYR A 8 -8.617 -31.077 -25.539 1.00 0.00 O ATOM 0 HA TYR A 8 -8.166 -30.151 -31.576 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.110 -32.831 -31.370 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -6.408 -32.583 -31.033 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -9.568 -30.859 -29.955 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -5.938 -32.754 -28.775 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.110 -30.398 -27.525 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -6.494 -32.289 -26.348 1.00 0.00 H new ATOM 0 HH TYR A 8 -7.901 -31.429 -24.969 1.00 0.00 H new ATOM 123 N ALA A 9 -5.013 -30.849 -32.225 1.00 0.00 N ATOM 124 CA ALA A 9 -3.667 -30.305 -32.180 1.00 0.00 C ATOM 125 C ALA A 9 -3.599 -29.049 -33.052 1.00 0.00 C ATOM 126 O ALA A 9 -2.752 -28.184 -32.837 1.00 0.00 O ATOM 127 CB ALA A 9 -2.668 -31.376 -32.621 1.00 0.00 C ATOM 0 H ALA A 9 -5.085 -31.775 -32.646 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.405 -30.014 -31.163 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.658 -30.967 -32.587 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.735 -32.234 -31.952 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.898 -31.691 -33.639 1.00 0.00 H new ATOM 133 N ALA A 10 -4.504 -28.990 -34.018 1.00 0.00 N ATOM 134 CA ALA A 10 -4.557 -27.855 -34.924 1.00 0.00 C ATOM 135 C ALA A 10 -4.970 -26.605 -34.144 1.00 0.00 C ATOM 136 O ALA A 10 -4.192 -25.660 -34.022 1.00 0.00 O ATOM 137 CB ALA A 10 -5.515 -28.166 -36.076 1.00 0.00 C ATOM 0 H ALA A 10 -5.206 -29.709 -34.193 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.576 -27.664 -35.358 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.555 -27.315 -36.756 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.162 -29.045 -36.615 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.511 -28.360 -35.678 1.00 0.00 H new ATOM 143 N LEU A 11 -6.194 -26.640 -33.637 1.00 0.00 N ATOM 144 CA LEU A 11 -6.719 -25.521 -32.873 1.00 0.00 C ATOM 145 C LEU A 11 -5.783 -25.227 -31.699 1.00 0.00 C ATOM 146 O LEU A 11 -5.530 -24.067 -31.377 1.00 0.00 O ATOM 147 CB LEU A 11 -8.165 -25.792 -32.453 1.00 0.00 C ATOM 148 CG LEU A 11 -8.358 -26.806 -31.324 1.00 0.00 C ATOM 149 CD1 LEU A 11 -8.379 -26.111 -29.961 1.00 0.00 C ATOM 150 CD2 LEU A 11 -9.611 -27.653 -31.555 1.00 0.00 C ATOM 0 H LEU A 11 -6.837 -27.425 -33.740 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.752 -24.622 -33.488 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.616 -24.848 -32.147 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.716 -26.141 -33.326 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.506 -27.486 -31.326 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.517 -26.854 -29.176 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.435 -25.589 -29.804 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.199 -25.394 -29.931 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.724 -28.365 -30.738 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.486 -27.005 -31.595 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.516 -28.193 -32.497 1.00 0.00 H new ATOM 162 N VAL A 12 -5.294 -26.298 -31.090 1.00 0.00 N ATOM 163 CA VAL A 12 -4.391 -26.169 -29.959 1.00 0.00 C ATOM 164 C VAL A 12 -3.198 -25.299 -30.361 1.00 0.00 C ATOM 165 O VAL A 12 -2.864 -24.339 -29.668 1.00 0.00 O ATOM 166 CB VAL A 12 -3.979 -27.554 -29.458 1.00 0.00 C ATOM 167 CG1 VAL A 12 -2.640 -27.495 -28.720 1.00 0.00 C ATOM 168 CG2 VAL A 12 -5.067 -28.162 -28.570 1.00 0.00 C ATOM 0 H VAL A 12 -5.506 -27.259 -31.359 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.890 -25.672 -29.127 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.855 -28.200 -30.327 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.371 -28.493 -28.374 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.869 -27.124 -29.395 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.725 -26.825 -27.864 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.749 -29.147 -28.227 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.237 -27.516 -27.709 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.991 -28.258 -29.140 1.00 0.00 H new ATOM 178 N THR A 13 -2.588 -25.667 -31.478 1.00 0.00 N ATOM 179 CA THR A 13 -1.439 -24.933 -31.980 1.00 0.00 C ATOM 180 C THR A 13 -1.827 -23.487 -32.298 1.00 0.00 C ATOM 181 O THR A 13 -1.023 -22.573 -32.127 1.00 0.00 O ATOM 182 CB THR A 13 -0.883 -25.692 -33.186 1.00 0.00 C ATOM 183 OG1 THR A 13 -0.127 -26.753 -32.610 1.00 0.00 O ATOM 184 CG2 THR A 13 0.152 -24.877 -33.965 1.00 0.00 C ATOM 0 H THR A 13 -2.868 -26.464 -32.050 1.00 0.00 H new ATOM 0 HA THR A 13 -0.652 -24.868 -31.228 1.00 0.00 H new ATOM 0 HB THR A 13 -1.702 -25.968 -33.850 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.697 -27.544 -32.509 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.514 -25.462 -34.810 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.308 -23.958 -34.330 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.988 -24.629 -33.310 1.00 0.00 H new ATOM 192 N PHE A 14 -3.060 -23.327 -32.756 1.00 0.00 N ATOM 193 CA PHE A 14 -3.565 -22.008 -33.100 1.00 0.00 C ATOM 194 C PHE A 14 -3.640 -21.110 -31.863 1.00 0.00 C ATOM 195 O PHE A 14 -3.044 -20.034 -31.836 1.00 0.00 O ATOM 196 CB PHE A 14 -4.975 -22.201 -33.661 1.00 0.00 C ATOM 197 CG PHE A 14 -5.364 -21.181 -34.733 1.00 0.00 C ATOM 198 CD1 PHE A 14 -5.854 -19.966 -34.369 1.00 0.00 C ATOM 199 CD2 PHE A 14 -5.219 -21.490 -36.049 1.00 0.00 C ATOM 200 CE1 PHE A 14 -6.215 -19.019 -35.365 1.00 0.00 C ATOM 201 CE2 PHE A 14 -5.579 -20.543 -37.045 1.00 0.00 C ATOM 202 CZ PHE A 14 -6.069 -19.328 -36.681 1.00 0.00 C ATOM 0 H PHE A 14 -3.724 -24.088 -32.897 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.901 -21.532 -33.822 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.053 -23.203 -34.082 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.692 -22.143 -32.842 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -5.969 -19.721 -33.323 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.830 -22.455 -36.337 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.605 -18.054 -35.077 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.464 -20.788 -38.090 1.00 0.00 H new ATOM 0 HZ PHE A 14 -6.342 -18.608 -37.438 1.00 0.00 H new ATOM 212 N GLY A 15 -4.376 -21.585 -30.869 1.00 0.00 N ATOM 213 CA GLY A 15 -4.536 -20.839 -29.633 1.00 0.00 C ATOM 214 C GLY A 15 -3.191 -20.649 -28.929 1.00 0.00 C ATOM 215 O GLY A 15 -3.001 -19.680 -28.196 1.00 0.00 O ATOM 0 H GLY A 15 -4.868 -22.478 -30.895 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.980 -19.866 -29.846 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.225 -21.366 -28.973 1.00 0.00 H new ATOM 219 N SER A 16 -2.291 -21.590 -29.177 1.00 0.00 N ATOM 220 CA SER A 16 -0.969 -21.538 -28.577 1.00 0.00 C ATOM 221 C SER A 16 -0.173 -20.372 -29.164 1.00 0.00 C ATOM 222 O SER A 16 0.452 -19.609 -28.429 1.00 0.00 O ATOM 223 CB SER A 16 -0.217 -22.854 -28.787 1.00 0.00 C ATOM 224 OG SER A 16 0.143 -23.466 -27.552 1.00 0.00 O ATOM 0 H SER A 16 -2.452 -22.393 -29.785 1.00 0.00 H new ATOM 0 HA SER A 16 -1.086 -21.385 -27.504 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.839 -23.539 -29.363 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.682 -22.668 -29.375 1.00 0.00 H new ATOM 0 HG SER A 16 0.619 -24.304 -27.729 1.00 0.00 H new ATOM 230 N ILE A 17 -0.220 -20.270 -30.485 1.00 0.00 N ATOM 231 CA ILE A 17 0.489 -19.209 -31.180 1.00 0.00 C ATOM 232 C ILE A 17 -0.181 -17.868 -30.875 1.00 0.00 C ATOM 233 O ILE A 17 0.403 -17.015 -30.208 1.00 0.00 O ATOM 234 CB ILE A 17 0.589 -19.521 -32.674 1.00 0.00 C ATOM 235 CG1 ILE A 17 1.480 -20.740 -32.921 1.00 0.00 C ATOM 236 CG2 ILE A 17 1.063 -18.296 -33.459 1.00 0.00 C ATOM 237 CD1 ILE A 17 1.292 -21.278 -34.341 1.00 0.00 C ATOM 0 H ILE A 17 -0.738 -20.905 -31.092 1.00 0.00 H new ATOM 0 HA ILE A 17 1.517 -19.140 -30.823 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.407 -19.771 -33.038 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.524 -20.469 -32.766 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.243 -21.521 -32.198 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.126 -18.545 -34.518 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.356 -17.478 -33.319 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.046 -17.991 -33.099 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.937 -22.144 -34.490 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.252 -21.571 -34.484 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.553 -20.503 -35.061 1.00 0.00 H new ATOM 249 N PHE A 18 -1.398 -17.724 -31.378 1.00 0.00 N ATOM 250 CA PHE A 18 -2.154 -16.501 -31.168 1.00 0.00 C ATOM 251 C PHE A 18 -2.132 -16.088 -29.694 1.00 0.00 C ATOM 252 O PHE A 18 -2.042 -14.903 -29.379 1.00 0.00 O ATOM 253 CB PHE A 18 -3.599 -16.791 -31.581 1.00 0.00 C ATOM 254 CG PHE A 18 -4.053 -16.031 -32.829 1.00 0.00 C ATOM 255 CD1 PHE A 18 -3.825 -16.552 -34.064 1.00 0.00 C ATOM 256 CD2 PHE A 18 -4.686 -14.834 -32.702 1.00 0.00 C ATOM 257 CE1 PHE A 18 -4.247 -15.846 -35.221 1.00 0.00 C ATOM 258 CE2 PHE A 18 -5.109 -14.128 -33.859 1.00 0.00 C ATOM 259 CZ PHE A 18 -4.880 -14.649 -35.095 1.00 0.00 C ATOM 0 H PHE A 18 -1.879 -18.434 -31.930 1.00 0.00 H new ATOM 0 HA PHE A 18 -1.718 -15.690 -31.752 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.707 -17.861 -31.760 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.261 -16.538 -30.753 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.323 -17.503 -34.165 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.867 -14.420 -31.721 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.065 -16.260 -36.202 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.612 -13.178 -33.758 1.00 0.00 H new ATOM 0 HZ PHE A 18 -5.201 -14.112 -35.976 1.00 0.00 H new ATOM 441 N ILE A 30 -6.189 -7.138 -8.972 1.00 0.00 N ATOM 442 CA ILE A 30 -6.682 -6.754 -7.660 1.00 0.00 C ATOM 443 C ILE A 30 -5.528 -6.188 -6.831 1.00 0.00 C ATOM 444 O ILE A 30 -5.728 -5.294 -6.010 1.00 0.00 O ATOM 445 CB ILE A 30 -7.401 -7.928 -6.993 1.00 0.00 C ATOM 446 CG1 ILE A 30 -8.428 -7.434 -5.973 1.00 0.00 C ATOM 447 CG2 ILE A 30 -6.399 -8.903 -6.372 1.00 0.00 C ATOM 448 CD1 ILE A 30 -7.777 -6.511 -4.942 1.00 0.00 C ATOM 0 HA ILE A 30 -7.427 -5.964 -7.750 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.948 -8.475 -7.761 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.230 -6.903 -6.487 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.883 -8.286 -5.468 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.936 -9.728 -5.904 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.741 -9.292 -7.149 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.805 -8.384 -5.620 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.529 -6.174 -4.229 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.992 -7.052 -4.413 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.345 -5.648 -5.448 1.00 0.00 H new ATOM 460 N ALA A 31 -4.344 -6.733 -7.074 1.00 0.00 N ATOM 461 CA ALA A 31 -3.157 -6.294 -6.360 1.00 0.00 C ATOM 462 C ALA A 31 -2.846 -4.845 -6.740 1.00 0.00 C ATOM 463 O ALA A 31 -2.934 -3.948 -5.904 1.00 0.00 O ATOM 464 CB ALA A 31 -1.996 -7.240 -6.670 1.00 0.00 C ATOM 0 H ALA A 31 -4.182 -7.475 -7.755 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.323 -6.324 -5.283 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.106 -6.911 -6.135 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.256 -8.251 -6.355 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.798 -7.234 -7.742 1.00 0.00 H new ATOM 470 N GLY A 32 -2.488 -4.661 -8.003 1.00 0.00 N ATOM 471 CA GLY A 32 -2.163 -3.337 -8.504 1.00 0.00 C ATOM 472 C GLY A 32 -3.276 -2.339 -8.177 1.00 0.00 C ATOM 473 O GLY A 32 -3.006 -1.230 -7.719 1.00 0.00 O ATOM 0 H GLY A 32 -2.416 -5.408 -8.694 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.225 -2.998 -8.064 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.013 -3.379 -9.583 1.00 0.00 H new ATOM 477 N LEU A 33 -4.504 -2.769 -8.426 1.00 0.00 N ATOM 478 CA LEU A 33 -5.659 -1.927 -8.164 1.00 0.00 C ATOM 479 C LEU A 33 -5.593 -1.410 -6.725 1.00 0.00 C ATOM 480 O LEU A 33 -5.672 -0.205 -6.491 1.00 0.00 O ATOM 481 CB LEU A 33 -6.953 -2.676 -8.489 1.00 0.00 C ATOM 482 CG LEU A 33 -8.243 -2.051 -7.952 1.00 0.00 C ATOM 483 CD1 LEU A 33 -9.122 -1.541 -9.095 1.00 0.00 C ATOM 484 CD2 LEU A 33 -8.991 -3.032 -7.047 1.00 0.00 C ATOM 0 H LEU A 33 -4.724 -3.689 -8.806 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.650 -1.055 -8.817 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.038 -2.761 -9.572 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.872 -3.689 -8.095 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.977 -1.188 -7.341 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.032 -1.102 -8.686 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.578 -0.786 -9.663 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.383 -2.371 -9.751 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.904 -2.564 -6.679 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.246 -3.928 -7.613 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.357 -3.305 -6.203 1.00 0.00 H new ATOM 496 N PHE A 34 -5.447 -2.347 -5.800 1.00 0.00 N ATOM 497 CA PHE A 34 -5.369 -2.001 -4.391 1.00 0.00 C ATOM 498 C PHE A 34 -4.252 -0.987 -4.136 1.00 0.00 C ATOM 499 O PHE A 34 -4.428 -0.044 -3.367 1.00 0.00 O ATOM 500 CB PHE A 34 -5.055 -3.291 -3.631 1.00 0.00 C ATOM 501 CG PHE A 34 -5.433 -3.248 -2.149 1.00 0.00 C ATOM 502 CD1 PHE A 34 -4.711 -2.484 -1.285 1.00 0.00 C ATOM 503 CD2 PHE A 34 -6.490 -3.973 -1.695 1.00 0.00 C ATOM 504 CE1 PHE A 34 -5.062 -2.444 0.091 1.00 0.00 C ATOM 505 CE2 PHE A 34 -6.840 -3.933 -0.320 1.00 0.00 C ATOM 506 CZ PHE A 34 -6.119 -3.169 0.544 1.00 0.00 C ATOM 0 H PHE A 34 -5.381 -3.345 -5.999 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.308 -1.555 -4.065 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.583 -4.118 -4.106 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.989 -3.501 -3.718 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.871 -1.908 -1.645 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.063 -4.579 -2.381 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.489 -1.838 0.777 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -7.679 -4.509 0.040 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.386 -3.138 1.590 1.00 0.00 H new ATOM 516 N VAL A 35 -3.126 -1.217 -4.797 1.00 0.00 N ATOM 517 CA VAL A 35 -1.980 -0.336 -4.651 1.00 0.00 C ATOM 518 C VAL A 35 -2.358 1.068 -5.127 1.00 0.00 C ATOM 519 O VAL A 35 -1.934 2.062 -4.539 1.00 0.00 O ATOM 520 CB VAL A 35 -0.777 -0.916 -5.397 1.00 0.00 C ATOM 521 CG1 VAL A 35 0.396 0.068 -5.395 1.00 0.00 C ATOM 522 CG2 VAL A 35 -0.362 -2.264 -4.806 1.00 0.00 C ATOM 0 H VAL A 35 -2.984 -2.000 -5.434 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.689 -0.257 -3.603 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.074 -1.082 -6.433 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.238 -0.369 -5.932 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.095 0.994 -5.884 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.691 0.280 -4.367 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.495 -2.654 -5.355 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.093 -2.134 -3.758 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.192 -2.966 -4.883 1.00 0.00 H new ATOM 532 N GLY A 36 -3.153 1.105 -6.186 1.00 0.00 N ATOM 533 CA GLY A 36 -3.594 2.371 -6.747 1.00 0.00 C ATOM 534 C GLY A 36 -4.641 3.034 -5.850 1.00 0.00 C ATOM 535 O GLY A 36 -4.746 4.259 -5.811 1.00 0.00 O ATOM 0 H GLY A 36 -3.503 0.279 -6.671 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.739 3.037 -6.867 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.012 2.207 -7.740 1.00 0.00 H new ATOM 539 N CYS A 37 -5.391 2.194 -5.151 1.00 0.00 N ATOM 540 CA CYS A 37 -6.427 2.683 -4.257 1.00 0.00 C ATOM 541 C CYS A 37 -5.751 3.309 -3.035 1.00 0.00 C ATOM 542 O CYS A 37 -6.080 4.429 -2.646 1.00 0.00 O ATOM 543 CB CYS A 37 -7.403 1.573 -3.862 1.00 0.00 C ATOM 544 SG CYS A 37 -8.976 1.769 -4.777 1.00 0.00 S ATOM 0 H CYS A 37 -5.302 1.179 -5.186 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.025 3.438 -4.768 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.966 0.598 -4.079 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.590 1.607 -2.789 1.00 0.00 H new ATOM 0 HG CYS A 37 -9.797 0.821 -4.436 1.00 0.00 H new ATOM 550 N LEU A 38 -4.819 2.560 -2.465 1.00 0.00 N ATOM 551 CA LEU A 38 -4.094 3.028 -1.296 1.00 0.00 C ATOM 552 C LEU A 38 -3.194 4.199 -1.695 1.00 0.00 C ATOM 553 O LEU A 38 -2.900 5.068 -0.875 1.00 0.00 O ATOM 554 CB LEU A 38 -3.341 1.872 -0.634 1.00 0.00 C ATOM 555 CG LEU A 38 -1.936 1.592 -1.170 1.00 0.00 C ATOM 556 CD1 LEU A 38 -0.952 2.675 -0.723 1.00 0.00 C ATOM 557 CD2 LEU A 38 -1.466 0.191 -0.772 1.00 0.00 C ATOM 0 H LEU A 38 -4.549 1.632 -2.791 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.787 3.400 -0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.267 2.077 0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.937 0.966 -0.744 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.974 1.622 -2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.039 2.451 -1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.282 3.644 -1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.911 2.702 0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.464 0.018 -1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.448 0.108 0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.150 -0.552 -1.181 1.00 0.00 H new ATOM 569 N ALA A 39 -2.781 4.186 -2.954 1.00 0.00 N ATOM 570 CA ALA A 39 -1.921 5.236 -3.471 1.00 0.00 C ATOM 571 C ALA A 39 -2.700 6.553 -3.513 1.00 0.00 C ATOM 572 O ALA A 39 -2.276 7.547 -2.926 1.00 0.00 O ATOM 573 CB ALA A 39 -1.388 4.829 -4.846 1.00 0.00 C ATOM 0 H ALA A 39 -3.027 3.464 -3.631 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.060 5.383 -2.819 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.743 5.617 -5.234 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.818 3.904 -4.756 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.223 4.675 -5.529 1.00 0.00 H new ATOM 579 N GLY A 40 -3.824 6.516 -4.213 1.00 0.00 N ATOM 580 CA GLY A 40 -4.666 7.694 -4.339 1.00 0.00 C ATOM 581 C GLY A 40 -5.204 8.132 -2.976 1.00 0.00 C ATOM 582 O GLY A 40 -4.861 9.206 -2.485 1.00 0.00 O ATOM 0 H GLY A 40 -4.172 5.689 -4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.095 8.507 -4.787 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.498 7.481 -5.011 1.00 0.00 H new ATOM 768 N ASP A 52 4.467 11.641 -6.164 1.00 0.00 N ATOM 769 CA ASP A 52 3.419 10.634 -6.177 1.00 0.00 C ATOM 770 C ASP A 52 4.028 9.275 -6.525 1.00 0.00 C ATOM 771 O ASP A 52 3.745 8.277 -5.864 1.00 0.00 O ATOM 772 CB ASP A 52 2.356 10.959 -7.229 1.00 0.00 C ATOM 773 CG ASP A 52 1.305 9.868 -7.445 1.00 0.00 C ATOM 774 OD1 ASP A 52 1.574 8.840 -8.083 1.00 0.00 O ATOM 775 OD2 ASP A 52 0.153 10.110 -6.918 1.00 0.00 O ATOM 0 HA ASP A 52 2.956 10.616 -5.190 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.849 11.879 -6.939 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.854 11.156 -8.178 1.00 0.00 H new ATOM 780 N VAL A 53 4.853 9.279 -7.562 1.00 0.00 N ATOM 781 CA VAL A 53 5.504 8.059 -8.005 1.00 0.00 C ATOM 782 C VAL A 53 6.260 7.434 -6.831 1.00 0.00 C ATOM 783 O VAL A 53 6.584 6.247 -6.857 1.00 0.00 O ATOM 784 CB VAL A 53 6.404 8.353 -9.207 1.00 0.00 C ATOM 785 CG1 VAL A 53 6.973 7.060 -9.795 1.00 0.00 C ATOM 786 CG2 VAL A 53 5.654 9.156 -10.271 1.00 0.00 C ATOM 0 H VAL A 53 5.085 10.109 -8.108 1.00 0.00 H new ATOM 0 HA VAL A 53 4.765 7.331 -8.340 1.00 0.00 H new ATOM 0 HB VAL A 53 7.240 8.959 -8.859 1.00 0.00 H new ATOM 0 HG11 VAL A 53 7.609 7.297 -10.648 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.561 6.543 -9.036 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.155 6.417 -10.120 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.317 9.351 -11.114 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.789 8.588 -10.613 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.321 10.102 -9.845 1.00 0.00 H new ATOM 796 N LYS A 54 6.520 8.260 -5.828 1.00 0.00 N ATOM 797 CA LYS A 54 7.232 7.803 -4.647 1.00 0.00 C ATOM 798 C LYS A 54 6.352 6.816 -3.877 1.00 0.00 C ATOM 799 O LYS A 54 6.843 5.812 -3.363 1.00 0.00 O ATOM 800 CB LYS A 54 7.699 8.995 -3.808 1.00 0.00 C ATOM 801 CG LYS A 54 8.327 8.528 -2.494 1.00 0.00 C ATOM 802 CD LYS A 54 8.009 9.502 -1.357 1.00 0.00 C ATOM 803 CE LYS A 54 8.458 8.937 -0.009 1.00 0.00 C ATOM 804 NZ LYS A 54 8.132 9.881 1.084 1.00 0.00 N ATOM 0 H LYS A 54 6.250 9.243 -5.809 1.00 0.00 H new ATOM 0 HA LYS A 54 8.138 7.268 -4.931 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.424 9.581 -4.374 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.854 9.650 -3.598 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.955 7.535 -2.242 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.407 8.443 -2.613 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.506 10.455 -1.540 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.938 9.701 -1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.969 7.980 0.172 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.531 8.748 -0.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.444 9.482 1.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.618 10.785 0.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.105 10.040 1.110 1.00 0.00 H new ATOM 818 N VAL A 55 5.068 7.137 -3.820 1.00 0.00 N ATOM 819 CA VAL A 55 4.116 6.291 -3.122 1.00 0.00 C ATOM 820 C VAL A 55 3.764 5.090 -4.003 1.00 0.00 C ATOM 821 O VAL A 55 3.405 4.028 -3.497 1.00 0.00 O ATOM 822 CB VAL A 55 2.891 7.110 -2.711 1.00 0.00 C ATOM 823 CG1 VAL A 55 2.098 7.565 -3.938 1.00 0.00 C ATOM 824 CG2 VAL A 55 2.002 6.322 -1.746 1.00 0.00 C ATOM 0 H VAL A 55 4.665 7.972 -4.246 1.00 0.00 H new ATOM 0 HA VAL A 55 4.554 5.902 -2.203 1.00 0.00 H new ATOM 0 HB VAL A 55 3.244 8.000 -2.191 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.233 8.145 -3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.733 8.182 -4.573 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.762 6.692 -4.498 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.139 6.927 -1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.663 5.406 -2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.570 6.071 -0.850 1.00 0.00 H new ATOM 834 N SER A 56 3.879 5.300 -5.306 1.00 0.00 N ATOM 835 CA SER A 56 3.577 4.248 -6.262 1.00 0.00 C ATOM 836 C SER A 56 4.565 3.092 -6.097 1.00 0.00 C ATOM 837 O SER A 56 4.159 1.941 -5.944 1.00 0.00 O ATOM 838 CB SER A 56 3.617 4.780 -7.697 1.00 0.00 C ATOM 839 OG SER A 56 2.598 4.202 -8.508 1.00 0.00 O ATOM 0 H SER A 56 4.177 6.182 -5.722 1.00 0.00 H new ATOM 0 HA SER A 56 2.568 3.886 -6.065 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.500 5.864 -7.685 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.593 4.569 -8.135 1.00 0.00 H new ATOM 0 HG SER A 56 2.952 4.030 -9.405 1.00 0.00 H new ATOM 845 N LEU A 57 5.843 3.438 -6.134 1.00 0.00 N ATOM 846 CA LEU A 57 6.892 2.443 -5.990 1.00 0.00 C ATOM 847 C LEU A 57 6.958 1.983 -4.532 1.00 0.00 C ATOM 848 O LEU A 57 6.850 0.792 -4.248 1.00 0.00 O ATOM 849 CB LEU A 57 8.220 2.983 -6.525 1.00 0.00 C ATOM 850 CG LEU A 57 9.424 2.046 -6.403 1.00 0.00 C ATOM 851 CD1 LEU A 57 10.314 2.131 -7.644 1.00 0.00 C ATOM 852 CD2 LEU A 57 10.206 2.323 -5.117 1.00 0.00 C ATOM 0 H LEU A 57 6.176 4.394 -6.262 1.00 0.00 H new ATOM 0 HA LEU A 57 6.666 1.563 -6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.088 3.238 -7.577 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.451 3.909 -5.999 1.00 0.00 H new ATOM 0 HG LEU A 57 9.055 1.022 -6.342 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.162 1.455 -7.531 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.738 1.846 -8.525 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.677 3.152 -7.762 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.056 1.644 -5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.564 3.353 -5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.556 2.170 -4.256 1.00 0.00 H new ATOM 864 N PHE A 58 7.134 2.953 -3.647 1.00 0.00 N ATOM 865 CA PHE A 58 7.215 2.664 -2.226 1.00 0.00 C ATOM 866 C PHE A 58 6.130 1.669 -1.806 1.00 0.00 C ATOM 867 O PHE A 58 6.388 0.760 -1.019 1.00 0.00 O ATOM 868 CB PHE A 58 6.993 3.984 -1.487 1.00 0.00 C ATOM 869 CG PHE A 58 6.930 3.843 0.036 1.00 0.00 C ATOM 870 CD1 PHE A 58 8.075 3.875 0.769 1.00 0.00 C ATOM 871 CD2 PHE A 58 5.730 3.685 0.655 1.00 0.00 C ATOM 872 CE1 PHE A 58 8.017 3.743 2.182 1.00 0.00 C ATOM 873 CE2 PHE A 58 5.672 3.554 2.068 1.00 0.00 C ATOM 874 CZ PHE A 58 6.817 3.586 2.801 1.00 0.00 C ATOM 0 H PHE A 58 7.223 3.940 -3.887 1.00 0.00 H new ATOM 0 HA PHE A 58 8.184 2.225 -1.991 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.798 4.672 -1.745 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.064 4.433 -1.839 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.028 4.001 0.277 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.821 3.659 0.072 1.00 0.00 H new ATOM 0 HE1 PHE A 58 8.926 3.767 2.765 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.719 3.429 2.560 1.00 0.00 H new ATOM 0 HZ PHE A 58 6.773 3.487 3.876 1.00 0.00 H new ATOM 884 N THR A 59 4.940 1.877 -2.350 1.00 0.00 N ATOM 885 CA THR A 59 3.815 1.010 -2.042 1.00 0.00 C ATOM 886 C THR A 59 4.003 -0.361 -2.696 1.00 0.00 C ATOM 887 O THR A 59 3.973 -1.386 -2.016 1.00 0.00 O ATOM 888 CB THR A 59 2.535 1.722 -2.483 1.00 0.00 C ATOM 889 OG1 THR A 59 2.460 2.862 -1.630 1.00 0.00 O ATOM 890 CG2 THR A 59 1.275 0.923 -2.147 1.00 0.00 C ATOM 0 H THR A 59 4.730 2.633 -3.002 1.00 0.00 H new ATOM 0 HA THR A 59 3.746 0.818 -0.971 1.00 0.00 H new ATOM 0 HB THR A 59 2.574 1.905 -3.557 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.878 3.630 -2.073 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.395 1.473 -2.481 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.312 -0.043 -2.650 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.219 0.769 -1.069 1.00 0.00 H new ATOM 898 N ALA A 60 4.194 -0.335 -4.006 1.00 0.00 N ATOM 899 CA ALA A 60 4.388 -1.562 -4.759 1.00 0.00 C ATOM 900 C ALA A 60 5.384 -2.457 -4.020 1.00 0.00 C ATOM 901 O ALA A 60 5.192 -3.669 -3.935 1.00 0.00 O ATOM 902 CB ALA A 60 4.849 -1.224 -6.178 1.00 0.00 C ATOM 0 H ALA A 60 4.219 0.517 -4.566 1.00 0.00 H new ATOM 0 HA ALA A 60 3.451 -2.112 -4.844 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.994 -2.145 -6.742 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.093 -0.612 -6.670 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.789 -0.673 -6.134 1.00 0.00 H new ATOM 908 N PHE A 61 6.428 -1.825 -3.503 1.00 0.00 N ATOM 909 CA PHE A 61 7.455 -2.549 -2.774 1.00 0.00 C ATOM 910 C PHE A 61 6.931 -3.029 -1.419 1.00 0.00 C ATOM 911 O PHE A 61 7.183 -4.164 -1.018 1.00 0.00 O ATOM 912 CB PHE A 61 8.612 -1.574 -2.543 1.00 0.00 C ATOM 913 CG PHE A 61 9.993 -2.169 -2.825 1.00 0.00 C ATOM 914 CD1 PHE A 61 10.332 -2.531 -4.091 1.00 0.00 C ATOM 915 CD2 PHE A 61 10.882 -2.335 -1.809 1.00 0.00 C ATOM 916 CE1 PHE A 61 11.614 -3.084 -4.352 1.00 0.00 C ATOM 917 CE2 PHE A 61 12.164 -2.887 -2.070 1.00 0.00 C ATOM 918 CZ PHE A 61 12.503 -3.250 -3.337 1.00 0.00 C ATOM 0 H PHE A 61 6.584 -0.820 -3.575 1.00 0.00 H new ATOM 0 HA PHE A 61 7.768 -3.424 -3.344 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.468 -0.699 -3.177 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.581 -1.228 -1.510 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.627 -2.398 -4.898 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.613 -2.047 -0.804 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.883 -3.373 -5.357 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.870 -3.019 -1.263 1.00 0.00 H new ATOM 0 HZ PHE A 61 13.478 -3.670 -3.536 1.00 0.00 H new ATOM 928 N PHE A 62 6.210 -2.140 -0.751 1.00 0.00 N ATOM 929 CA PHE A 62 5.648 -2.458 0.551 1.00 0.00 C ATOM 930 C PHE A 62 4.695 -3.652 0.459 1.00 0.00 C ATOM 931 O PHE A 62 4.928 -4.686 1.084 1.00 0.00 O ATOM 932 CB PHE A 62 4.863 -1.229 1.012 1.00 0.00 C ATOM 933 CG PHE A 62 4.927 -0.979 2.520 1.00 0.00 C ATOM 934 CD1 PHE A 62 6.040 -0.424 3.071 1.00 0.00 C ATOM 935 CD2 PHE A 62 3.871 -1.312 3.310 1.00 0.00 C ATOM 936 CE1 PHE A 62 6.099 -0.192 4.470 1.00 0.00 C ATOM 937 CE2 PHE A 62 3.930 -1.080 4.709 1.00 0.00 C ATOM 938 CZ PHE A 62 5.043 -0.525 5.260 1.00 0.00 C ATOM 0 H PHE A 62 6.002 -1.200 -1.087 1.00 0.00 H new ATOM 0 HA PHE A 62 6.446 -2.716 1.248 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.245 -0.351 0.492 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.820 -1.345 0.717 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.879 -0.160 2.444 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.987 -1.753 2.873 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.983 0.249 4.907 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.091 -1.344 5.336 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.088 -0.349 6.325 1.00 0.00 H new ATOM 948 N LEU A 63 3.643 -3.470 -0.325 1.00 0.00 N ATOM 949 CA LEU A 63 2.654 -4.519 -0.506 1.00 0.00 C ATOM 950 C LEU A 63 3.341 -5.772 -1.054 1.00 0.00 C ATOM 951 O LEU A 63 3.010 -6.888 -0.658 1.00 0.00 O ATOM 952 CB LEU A 63 1.498 -4.021 -1.376 1.00 0.00 C ATOM 953 CG LEU A 63 0.094 -4.421 -0.919 1.00 0.00 C ATOM 954 CD1 LEU A 63 -0.373 -3.546 0.247 1.00 0.00 C ATOM 955 CD2 LEU A 63 -0.893 -4.392 -2.088 1.00 0.00 C ATOM 0 H LEU A 63 3.454 -2.612 -0.842 1.00 0.00 H new ATOM 0 HA LEU A 63 2.208 -4.792 0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.547 -2.933 -1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.647 -4.391 -2.390 1.00 0.00 H new ATOM 0 HG LEU A 63 0.133 -5.448 -0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.374 -3.851 0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.313 -3.661 1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.392 -2.502 -0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.883 -4.680 -1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.935 -3.385 -2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.565 -5.090 -2.859 1.00 0.00 H new ATOM 967 N ALA A 64 4.284 -5.544 -1.956 1.00 0.00 N ATOM 968 CA ALA A 64 5.019 -6.641 -2.562 1.00 0.00 C ATOM 969 C ALA A 64 5.647 -7.498 -1.462 1.00 0.00 C ATOM 970 O ALA A 64 5.569 -8.725 -1.506 1.00 0.00 O ATOM 971 CB ALA A 64 6.063 -6.081 -3.532 1.00 0.00 C ATOM 0 H ALA A 64 4.556 -4.616 -2.282 1.00 0.00 H new ATOM 0 HA ALA A 64 4.349 -7.281 -3.136 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.615 -6.903 -3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.564 -5.504 -4.311 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.755 -5.436 -2.990 1.00 0.00 H new ATOM 977 N THR A 65 6.254 -6.819 -0.500 1.00 0.00 N ATOM 978 CA THR A 65 6.894 -7.503 0.611 1.00 0.00 C ATOM 979 C THR A 65 5.843 -8.151 1.515 1.00 0.00 C ATOM 980 O THR A 65 6.089 -9.202 2.104 1.00 0.00 O ATOM 981 CB THR A 65 7.783 -6.493 1.339 1.00 0.00 C ATOM 982 OG1 THR A 65 8.944 -6.398 0.519 1.00 0.00 O ATOM 983 CG2 THR A 65 8.311 -7.031 2.671 1.00 0.00 C ATOM 0 H THR A 65 6.316 -5.801 -0.467 1.00 0.00 H new ATOM 0 HA THR A 65 7.525 -8.320 0.262 1.00 0.00 H new ATOM 0 HB THR A 65 7.221 -5.576 1.515 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.574 -5.762 0.917 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.936 -6.275 3.147 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.472 -7.272 3.324 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.901 -7.930 2.492 1.00 0.00 H new ATOM 991 N ILE A 66 4.694 -7.496 1.597 1.00 0.00 N ATOM 992 CA ILE A 66 3.605 -7.995 2.419 1.00 0.00 C ATOM 993 C ILE A 66 3.112 -9.327 1.851 1.00 0.00 C ATOM 994 O ILE A 66 3.236 -10.366 2.499 1.00 0.00 O ATOM 995 CB ILE A 66 2.507 -6.938 2.552 1.00 0.00 C ATOM 996 CG1 ILE A 66 2.970 -5.772 3.427 1.00 0.00 C ATOM 997 CG2 ILE A 66 1.207 -7.560 3.067 1.00 0.00 C ATOM 998 CD1 ILE A 66 2.964 -6.161 4.907 1.00 0.00 C ATOM 0 H ILE A 66 4.494 -6.624 1.107 1.00 0.00 H new ATOM 0 HA ILE A 66 3.952 -8.190 3.434 1.00 0.00 H new ATOM 0 HB ILE A 66 2.301 -6.534 1.561 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.974 -5.467 3.131 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.317 -4.913 3.270 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.443 -6.787 3.153 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.870 -8.328 2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.381 -8.008 4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.297 -5.314 5.507 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.954 -6.442 5.205 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.637 -7.004 5.064 1.00 0.00 H new ATOM 1010 N MET A 67 2.564 -9.254 0.648 1.00 0.00 N ATOM 1011 CA MET A 67 2.051 -10.441 -0.015 1.00 0.00 C ATOM 1012 C MET A 67 3.164 -11.467 -0.240 1.00 0.00 C ATOM 1013 O MET A 67 2.983 -12.653 0.028 1.00 0.00 O ATOM 1014 CB MET A 67 1.437 -10.050 -1.360 1.00 0.00 C ATOM 1015 CG MET A 67 -0.088 -10.176 -1.324 1.00 0.00 C ATOM 1016 SD MET A 67 -0.795 -8.773 -0.476 1.00 0.00 S ATOM 1017 CE MET A 67 -1.551 -9.600 0.914 1.00 0.00 C ATOM 0 H MET A 67 2.464 -8.391 0.114 1.00 0.00 H new ATOM 0 HA MET A 67 1.291 -10.891 0.624 1.00 0.00 H new ATOM 0 HB2 MET A 67 1.715 -9.025 -1.607 1.00 0.00 H new ATOM 0 HB3 MET A 67 1.840 -10.688 -2.147 1.00 0.00 H new ATOM 0 HG2 MET A 67 -0.481 -10.234 -2.339 1.00 0.00 H new ATOM 0 HG3 MET A 67 -0.373 -11.099 -0.819 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.042 -8.865 1.552 1.00 0.00 H new ATOM 0 HE2 MET A 67 -2.288 -10.317 0.554 1.00 0.00 H new ATOM 0 HE3 MET A 67 -0.785 -10.124 1.486 1.00 0.00 H new ATOM 1027 N GLY A 68 4.291 -10.971 -0.732 1.00 0.00 N ATOM 1028 CA GLY A 68 5.433 -11.830 -0.996 1.00 0.00 C ATOM 1029 C GLY A 68 5.756 -11.866 -2.491 1.00 0.00 C ATOM 1030 O GLY A 68 6.255 -12.870 -2.998 1.00 0.00 O ATOM 0 H GLY A 68 4.437 -9.986 -0.954 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.300 -11.470 -0.441 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.224 -12.839 -0.641 1.00 0.00 H new ATOM 1245 N ALA A 80 3.351 -9.268 -9.964 1.00 0.00 N ATOM 1246 CA ALA A 80 3.081 -8.771 -11.302 1.00 0.00 C ATOM 1247 C ALA A 80 2.068 -7.628 -11.222 1.00 0.00 C ATOM 1248 O ALA A 80 2.290 -6.556 -11.785 1.00 0.00 O ATOM 1249 CB ALA A 80 2.594 -9.922 -12.185 1.00 0.00 C ATOM 0 HA ALA A 80 3.990 -8.374 -11.755 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.391 -9.550 -13.189 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.362 -10.694 -12.233 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.681 -10.343 -11.763 1.00 0.00 H new ATOM 1255 N GLY A 81 0.977 -7.894 -10.519 1.00 0.00 N ATOM 1256 CA GLY A 81 -0.071 -6.901 -10.358 1.00 0.00 C ATOM 1257 C GLY A 81 0.417 -5.720 -9.516 1.00 0.00 C ATOM 1258 O GLY A 81 -0.034 -4.591 -9.703 1.00 0.00 O ATOM 0 H GLY A 81 0.796 -8.784 -10.054 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.394 -6.546 -11.337 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.939 -7.357 -9.882 1.00 0.00 H new ATOM 1262 N LEU A 82 1.332 -6.022 -8.606 1.00 0.00 N ATOM 1263 CA LEU A 82 1.886 -5.000 -7.735 1.00 0.00 C ATOM 1264 C LEU A 82 2.488 -3.881 -8.586 1.00 0.00 C ATOM 1265 O LEU A 82 1.908 -2.803 -8.702 1.00 0.00 O ATOM 1266 CB LEU A 82 2.874 -5.619 -6.744 1.00 0.00 C ATOM 1267 CG LEU A 82 2.456 -5.590 -5.273 1.00 0.00 C ATOM 1268 CD1 LEU A 82 2.066 -4.175 -4.841 1.00 0.00 C ATOM 1269 CD2 LEU A 82 1.340 -6.601 -5.000 1.00 0.00 C ATOM 0 H LEU A 82 1.703 -6.960 -8.453 1.00 0.00 H new ATOM 0 HA LEU A 82 1.100 -4.550 -7.128 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.045 -6.656 -7.032 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.828 -5.100 -6.840 1.00 0.00 H new ATOM 0 HG LEU A 82 3.313 -5.886 -4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.773 -4.183 -3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.916 -3.506 -4.976 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.231 -3.826 -5.448 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.061 -6.560 -3.947 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.473 -6.360 -5.614 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.690 -7.604 -5.244 1.00 0.00 H new ATOM 1281 N VAL A 83 3.645 -4.176 -9.162 1.00 0.00 N ATOM 1282 CA VAL A 83 4.332 -3.208 -10.000 1.00 0.00 C ATOM 1283 C VAL A 83 3.379 -2.716 -11.090 1.00 0.00 C ATOM 1284 O VAL A 83 3.234 -1.512 -11.296 1.00 0.00 O ATOM 1285 CB VAL A 83 5.617 -3.821 -10.561 1.00 0.00 C ATOM 1286 CG1 VAL A 83 6.265 -2.890 -11.588 1.00 0.00 C ATOM 1287 CG2 VAL A 83 6.597 -4.164 -9.437 1.00 0.00 C ATOM 0 H VAL A 83 4.123 -5.072 -9.065 1.00 0.00 H new ATOM 0 HA VAL A 83 4.631 -2.339 -9.414 1.00 0.00 H new ATOM 0 HB VAL A 83 5.352 -4.748 -11.069 1.00 0.00 H new ATOM 0 HG11 VAL A 83 7.176 -3.349 -11.971 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.572 -2.718 -12.411 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.509 -1.939 -11.114 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.502 -4.598 -9.863 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.853 -3.258 -8.888 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.135 -4.881 -8.758 1.00 0.00 H new ATOM 1297 N ALA A 84 2.753 -3.672 -11.760 1.00 0.00 N ATOM 1298 CA ALA A 84 1.817 -3.351 -12.825 1.00 0.00 C ATOM 1299 C ALA A 84 0.858 -2.262 -12.342 1.00 0.00 C ATOM 1300 O ALA A 84 0.428 -1.417 -13.126 1.00 0.00 O ATOM 1301 CB ALA A 84 1.085 -4.621 -13.261 1.00 0.00 C ATOM 0 H ALA A 84 2.875 -4.670 -11.586 1.00 0.00 H new ATOM 0 HA ALA A 84 2.344 -2.964 -13.697 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.383 -4.380 -14.060 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.808 -5.352 -13.622 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.541 -5.037 -12.413 1.00 0.00 H new ATOM 1307 N GLY A 85 0.550 -2.316 -11.055 1.00 0.00 N ATOM 1308 CA GLY A 85 -0.351 -1.344 -10.459 1.00 0.00 C ATOM 1309 C GLY A 85 0.340 0.010 -10.285 1.00 0.00 C ATOM 1310 O GLY A 85 -0.200 1.041 -10.682 1.00 0.00 O ATOM 0 H GLY A 85 0.908 -3.018 -10.408 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.234 -1.228 -11.088 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.695 -1.708 -9.491 1.00 0.00 H new ATOM 1314 N LEU A 86 1.523 -0.038 -9.692 1.00 0.00 N ATOM 1315 CA LEU A 86 2.294 1.172 -9.461 1.00 0.00 C ATOM 1316 C LEU A 86 2.317 2.009 -10.741 1.00 0.00 C ATOM 1317 O LEU A 86 2.125 3.223 -10.697 1.00 0.00 O ATOM 1318 CB LEU A 86 3.685 0.827 -8.926 1.00 0.00 C ATOM 1319 CG LEU A 86 4.838 0.958 -9.923 1.00 0.00 C ATOM 1320 CD1 LEU A 86 5.101 2.425 -10.269 1.00 0.00 C ATOM 1321 CD2 LEU A 86 6.095 0.258 -9.403 1.00 0.00 C ATOM 0 H LEU A 86 1.967 -0.896 -9.364 1.00 0.00 H new ATOM 0 HA LEU A 86 1.824 1.782 -8.690 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.894 1.471 -8.072 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.666 -0.198 -8.555 1.00 0.00 H new ATOM 0 HG LEU A 86 4.549 0.457 -10.847 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.925 2.489 -10.979 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.205 2.861 -10.712 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.360 2.972 -9.362 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.899 0.366 -10.131 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.398 0.709 -8.458 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.885 -0.800 -9.249 1.00 0.00 H new ATOM 1333 N SER A 87 2.553 1.327 -11.852 1.00 0.00 N ATOM 1334 CA SER A 87 2.604 1.992 -13.143 1.00 0.00 C ATOM 1335 C SER A 87 1.207 2.474 -13.538 1.00 0.00 C ATOM 1336 O SER A 87 1.025 3.639 -13.891 1.00 0.00 O ATOM 1337 CB SER A 87 3.170 1.064 -14.219 1.00 0.00 C ATOM 1338 OG SER A 87 4.501 1.419 -14.584 1.00 0.00 O ATOM 0 H SER A 87 2.711 0.320 -11.885 1.00 0.00 H new ATOM 0 HA SER A 87 3.268 2.852 -13.059 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.156 0.036 -13.856 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.531 1.099 -15.101 1.00 0.00 H new ATOM 0 HG SER A 87 4.827 0.802 -15.272 1.00 0.00 H new ATOM 1344 N LEU A 88 0.256 1.554 -13.467 1.00 0.00 N ATOM 1345 CA LEU A 88 -1.119 1.871 -13.813 1.00 0.00 C ATOM 1346 C LEU A 88 -1.557 3.124 -13.051 1.00 0.00 C ATOM 1347 O LEU A 88 -2.416 3.870 -13.518 1.00 0.00 O ATOM 1348 CB LEU A 88 -2.024 0.660 -13.576 1.00 0.00 C ATOM 1349 CG LEU A 88 -2.756 0.119 -14.806 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -3.723 1.161 -15.370 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -1.765 -0.374 -15.861 1.00 0.00 C ATOM 0 H LEU A 88 0.411 0.589 -13.175 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.201 2.099 -14.876 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.420 -0.143 -13.155 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.767 0.928 -12.824 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.352 -0.740 -14.499 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.230 0.751 -16.243 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.461 1.421 -14.611 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.168 2.054 -15.658 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.312 -0.753 -16.724 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.123 0.451 -16.171 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.153 -1.172 -15.440 1.00 0.00 H new ATOM 1363 N MET A 89 -0.946 3.316 -11.891 1.00 0.00 N ATOM 1364 CA MET A 89 -1.262 4.465 -11.060 1.00 0.00 C ATOM 1365 C MET A 89 -0.600 5.733 -11.604 1.00 0.00 C ATOM 1366 O MET A 89 -1.286 6.676 -11.998 1.00 0.00 O ATOM 1367 CB MET A 89 -0.780 4.210 -9.631 1.00 0.00 C ATOM 1368 CG MET A 89 -1.769 4.776 -8.610 1.00 0.00 C ATOM 1369 SD MET A 89 -2.164 6.469 -9.015 1.00 0.00 S ATOM 1370 CE MET A 89 -0.536 7.195 -8.931 1.00 0.00 C ATOM 0 H MET A 89 -0.234 2.695 -11.507 1.00 0.00 H new ATOM 0 HA MET A 89 -2.342 4.609 -11.068 1.00 0.00 H new ATOM 0 HB2 MET A 89 -0.659 3.139 -9.470 1.00 0.00 H new ATOM 0 HB3 MET A 89 0.199 4.667 -9.487 1.00 0.00 H new ATOM 0 HG2 MET A 89 -2.678 4.174 -8.600 1.00 0.00 H new ATOM 0 HG3 MET A 89 -1.341 4.723 -7.609 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.526 7.979 -8.173 1.00 0.00 H new ATOM 0 HE2 MET A 89 0.192 6.427 -8.669 1.00 0.00 H new ATOM 0 HE3 MET A 89 -0.278 7.623 -9.900 1.00 0.00 H new ATOM 1380 N MET A 90 0.725 5.716 -11.608 1.00 0.00 N ATOM 1381 CA MET A 90 1.487 6.852 -12.097 1.00 0.00 C ATOM 1382 C MET A 90 0.869 7.416 -13.378 1.00 0.00 C ATOM 1383 O MET A 90 0.878 8.627 -13.595 1.00 0.00 O ATOM 1384 CB MET A 90 2.928 6.420 -12.373 1.00 0.00 C ATOM 1385 CG MET A 90 3.742 7.571 -12.968 1.00 0.00 C ATOM 1386 SD MET A 90 4.725 6.981 -14.335 1.00 0.00 S ATOM 1387 CE MET A 90 5.988 6.087 -13.446 1.00 0.00 C ATOM 0 H MET A 90 1.290 4.933 -11.280 1.00 0.00 H new ATOM 0 HA MET A 90 1.472 7.631 -11.335 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.393 6.081 -11.447 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.932 5.574 -13.060 1.00 0.00 H new ATOM 0 HG2 MET A 90 3.074 8.363 -13.305 1.00 0.00 H new ATOM 0 HG3 MET A 90 4.389 8.003 -12.204 1.00 0.00 H new ATOM 0 HE1 MET A 90 6.692 5.651 -14.155 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.518 6.770 -12.782 1.00 0.00 H new ATOM 0 HE3 MET A 90 5.527 5.294 -12.858 1.00 0.00 H new ATOM 1397 N ILE A 91 0.347 6.512 -14.194 1.00 0.00 N ATOM 1398 CA ILE A 91 -0.274 6.904 -15.447 1.00 0.00 C ATOM 1399 C ILE A 91 -1.692 7.411 -15.173 1.00 0.00 C ATOM 1400 O ILE A 91 -2.092 8.454 -15.687 1.00 0.00 O ATOM 1401 CB ILE A 91 -0.216 5.756 -16.457 1.00 0.00 C ATOM 1402 CG1 ILE A 91 -0.495 6.257 -17.875 1.00 0.00 C ATOM 1403 CG2 ILE A 91 -1.162 4.623 -16.053 1.00 0.00 C ATOM 1404 CD1 ILE A 91 0.666 5.921 -18.813 1.00 0.00 C ATOM 0 H ILE A 91 0.342 5.509 -14.011 1.00 0.00 H new ATOM 0 HA ILE A 91 0.277 7.727 -15.903 1.00 0.00 H new ATOM 0 HB ILE A 91 0.795 5.349 -16.453 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.413 5.805 -18.250 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.654 7.335 -17.859 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.102 3.820 -16.787 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.875 4.241 -15.073 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.184 5.000 -16.011 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.442 6.288 -19.815 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.577 6.395 -18.448 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.807 4.841 -18.845 1.00 0.00 H new ATOM 1416 N LEU A 92 -2.411 6.648 -14.363 1.00 0.00 N ATOM 1417 CA LEU A 92 -3.776 7.007 -14.014 1.00 0.00 C ATOM 1418 C LEU A 92 -3.808 8.457 -13.526 1.00 0.00 C ATOM 1419 O LEU A 92 -4.838 9.123 -13.617 1.00 0.00 O ATOM 1420 CB LEU A 92 -4.352 6.007 -13.010 1.00 0.00 C ATOM 1421 CG LEU A 92 -5.342 6.575 -11.991 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -6.274 5.481 -11.463 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -4.610 7.299 -10.860 1.00 0.00 C ATOM 0 H LEU A 92 -2.075 5.784 -13.939 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.421 6.951 -14.891 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.849 5.211 -13.564 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.525 5.550 -12.467 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.965 7.313 -12.495 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.968 5.911 -10.741 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.835 5.050 -12.292 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.684 4.702 -10.980 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.337 7.693 -10.150 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.946 6.600 -10.350 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.024 8.120 -11.273 1.00 0.00 H new ATOM 1435 N ARG A 93 -2.669 8.903 -13.019 1.00 0.00 N ATOM 1436 CA ARG A 93 -2.554 10.261 -12.516 1.00 0.00 C ATOM 1437 C ARG A 93 -2.076 11.199 -13.627 1.00 0.00 C ATOM 1438 O ARG A 93 -2.646 12.271 -13.826 1.00 0.00 O ATOM 1439 CB ARG A 93 -1.576 10.333 -11.342 1.00 0.00 C ATOM 1440 CG ARG A 93 -2.317 10.252 -10.006 1.00 0.00 C ATOM 1441 CD ARG A 93 -2.612 11.650 -9.456 1.00 0.00 C ATOM 1442 NE ARG A 93 -4.066 11.919 -9.510 1.00 0.00 N ATOM 1443 CZ ARG A 93 -4.645 13.020 -9.014 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -3.897 13.962 -8.423 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -5.972 13.180 -9.107 1.00 0.00 N ATOM 0 H ARG A 93 -1.817 8.348 -12.946 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.540 10.572 -12.172 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.856 9.517 -11.413 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.010 11.263 -11.392 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -3.250 9.704 -10.136 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.718 9.694 -9.287 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.257 11.728 -8.428 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -2.073 12.399 -10.036 1.00 0.00 H new ATOM 0 HE ARG A 93 -4.665 11.222 -9.953 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.887 13.840 -8.351 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.338 14.801 -8.045 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -6.542 12.463 -9.556 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -6.412 14.019 -8.729 1.00 0.00 H new ATOM 1459 N LEU A 94 -1.036 10.761 -14.321 1.00 0.00 N ATOM 1460 CA LEU A 94 -0.476 11.549 -15.406 1.00 0.00 C ATOM 1461 C LEU A 94 -1.503 11.658 -16.534 1.00 0.00 C ATOM 1462 O LEU A 94 -1.332 12.450 -17.460 1.00 0.00 O ATOM 1463 CB LEU A 94 0.867 10.967 -15.851 1.00 0.00 C ATOM 1464 CG LEU A 94 2.044 11.945 -15.884 1.00 0.00 C ATOM 1465 CD1 LEU A 94 3.030 11.654 -14.751 1.00 0.00 C ATOM 1466 CD2 LEU A 94 2.725 11.938 -17.254 1.00 0.00 C ATOM 0 H LEU A 94 -0.567 9.871 -14.153 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.263 12.564 -15.070 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.123 10.144 -15.184 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.744 10.543 -16.848 1.00 0.00 H new ATOM 0 HG LEU A 94 1.657 12.951 -15.723 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.857 12.363 -14.797 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.521 11.752 -13.792 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.415 10.640 -14.856 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.558 12.641 -17.250 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.097 10.937 -17.470 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.006 12.231 -18.019 1.00 0.00 H new ATOM 1478 N VAL A 95 -2.548 10.851 -16.421 1.00 0.00 N ATOM 1479 CA VAL A 95 -3.602 10.846 -17.420 1.00 0.00 C ATOM 1480 C VAL A 95 -4.084 12.280 -17.653 1.00 0.00 C ATOM 1481 O VAL A 95 -4.394 12.659 -18.781 1.00 0.00 O ATOM 1482 CB VAL A 95 -4.726 9.901 -16.991 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -6.075 10.365 -17.544 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -4.425 8.463 -17.418 1.00 0.00 C ATOM 0 H VAL A 95 -2.687 10.196 -15.652 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.225 10.470 -18.371 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.785 9.923 -15.903 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.856 9.675 -17.224 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -6.297 11.364 -17.170 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -6.034 10.386 -18.633 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.239 7.811 -17.101 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.326 8.419 -18.503 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.495 8.133 -16.955 1.00 0.00 H new ATOM 1494 N LEU A 96 -4.132 13.038 -16.567 1.00 0.00 N ATOM 1495 CA LEU A 96 -4.570 14.421 -16.639 1.00 0.00 C ATOM 1496 C LEU A 96 -3.350 15.331 -16.793 1.00 0.00 C ATOM 1497 O LEU A 96 -3.473 16.470 -17.243 1.00 0.00 O ATOM 1498 CB LEU A 96 -5.448 14.768 -15.435 1.00 0.00 C ATOM 1499 CG LEU A 96 -4.951 14.269 -14.077 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -5.110 15.349 -13.004 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -5.647 12.965 -13.683 1.00 0.00 C ATOM 0 H LEU A 96 -3.875 12.720 -15.633 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.197 14.577 -17.517 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.551 15.852 -15.386 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.444 14.360 -15.607 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.886 14.053 -14.162 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.749 14.968 -12.048 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.532 16.229 -13.285 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.162 15.619 -12.913 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.275 12.633 -12.714 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.723 13.131 -13.622 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.440 12.201 -14.433 1.00 0.00 H new