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= 0.0266 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= -0.306 USER MOD Single : A 59 THR OG1 : rot 89:sc= 0.968 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 140:sc= -2.52! (180deg=-6.65!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 102 N TYR A 8 -10.367 -35.883 -23.281 1.00 0.00 N ATOM 103 CA TYR A 8 -10.690 -35.363 -21.963 1.00 0.00 C ATOM 104 C TYR A 8 -9.804 -34.165 -21.614 1.00 0.00 C ATOM 105 O TYR A 8 -10.298 -33.138 -21.150 1.00 0.00 O ATOM 106 CB TYR A 8 -10.401 -36.499 -20.979 1.00 0.00 C ATOM 107 CG TYR A 8 -11.151 -36.377 -19.651 1.00 0.00 C ATOM 108 CD1 TYR A 8 -11.040 -35.226 -18.899 1.00 0.00 C ATOM 109 CD2 TYR A 8 -11.938 -37.420 -19.206 1.00 0.00 C ATOM 110 CE1 TYR A 8 -11.746 -35.112 -17.649 1.00 0.00 C ATOM 111 CE2 TYR A 8 -12.644 -37.306 -17.956 1.00 0.00 C ATOM 112 CZ TYR A 8 -12.513 -36.157 -17.239 1.00 0.00 C ATOM 113 OH TYR A 8 -13.179 -36.049 -16.058 1.00 0.00 O ATOM 0 HA TYR A 8 -11.727 -35.031 -21.925 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -10.664 -37.447 -21.447 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.330 -36.529 -20.778 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.424 -34.410 -19.248 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -12.024 -38.321 -19.795 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -11.668 -34.216 -17.051 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.263 -38.114 -17.596 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.687 -36.870 -15.893 1.00 0.00 H new ATOM 123 N ALA A 9 -8.512 -34.336 -21.851 1.00 0.00 N ATOM 124 CA ALA A 9 -7.553 -33.281 -21.568 1.00 0.00 C ATOM 125 C ALA A 9 -7.717 -32.160 -22.596 1.00 0.00 C ATOM 126 O ALA A 9 -7.354 -31.014 -22.333 1.00 0.00 O ATOM 127 CB ALA A 9 -6.139 -33.865 -21.562 1.00 0.00 C ATOM 0 H ALA A 9 -8.106 -35.189 -22.236 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.733 -32.853 -20.582 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.420 -33.074 -21.350 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.067 -34.636 -20.795 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.921 -34.301 -22.537 1.00 0.00 H new ATOM 133 N ALA A 10 -8.264 -32.529 -23.745 1.00 0.00 N ATOM 134 CA ALA A 10 -8.480 -31.568 -24.813 1.00 0.00 C ATOM 135 C ALA A 10 -9.559 -30.571 -24.386 1.00 0.00 C ATOM 136 O ALA A 10 -9.307 -29.368 -24.322 1.00 0.00 O ATOM 137 CB ALA A 10 -8.848 -32.309 -26.100 1.00 0.00 C ATOM 0 H ALA A 10 -8.564 -33.480 -23.960 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.569 -31.003 -25.011 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.010 -31.588 -26.901 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.037 -32.983 -26.377 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.760 -32.885 -25.940 1.00 0.00 H new ATOM 143 N LEU A 11 -10.737 -31.107 -24.105 1.00 0.00 N ATOM 144 CA LEU A 11 -11.855 -30.279 -23.686 1.00 0.00 C ATOM 145 C LEU A 11 -11.479 -29.533 -22.404 1.00 0.00 C ATOM 146 O LEU A 11 -11.781 -28.349 -22.259 1.00 0.00 O ATOM 147 CB LEU A 11 -13.127 -31.120 -23.557 1.00 0.00 C ATOM 148 CG LEU A 11 -13.209 -32.028 -22.329 1.00 0.00 C ATOM 149 CD1 LEU A 11 -13.819 -31.285 -21.138 1.00 0.00 C ATOM 150 CD2 LEU A 11 -13.967 -33.317 -22.649 1.00 0.00 C ATOM 0 H LEU A 11 -10.942 -32.105 -24.159 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.075 -29.525 -24.442 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -13.984 -30.447 -23.544 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.221 -31.739 -24.449 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.195 -32.313 -22.047 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.866 -31.953 -20.278 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.201 -30.421 -20.893 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.825 -30.951 -21.394 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.010 -33.944 -21.759 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -14.979 -33.073 -22.971 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.452 -33.854 -23.446 1.00 0.00 H new ATOM 162 N VAL A 12 -10.825 -30.256 -21.506 1.00 0.00 N ATOM 163 CA VAL A 12 -10.405 -29.678 -20.242 1.00 0.00 C ATOM 164 C VAL A 12 -9.604 -28.402 -20.510 1.00 0.00 C ATOM 165 O VAL A 12 -9.910 -27.345 -19.961 1.00 0.00 O ATOM 166 CB VAL A 12 -9.627 -30.712 -19.426 1.00 0.00 C ATOM 167 CG1 VAL A 12 -8.708 -30.031 -18.410 1.00 0.00 C ATOM 168 CG2 VAL A 12 -10.577 -31.693 -18.735 1.00 0.00 C ATOM 0 H VAL A 12 -10.576 -31.237 -21.630 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.272 -29.398 -19.644 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.002 -31.280 -20.115 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.167 -30.789 -17.844 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.996 -29.393 -18.934 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.305 -29.426 -17.728 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.998 -32.417 -18.162 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.240 -31.146 -18.065 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.170 -32.215 -19.486 1.00 0.00 H new ATOM 178 N THR A 13 -8.593 -28.544 -21.354 1.00 0.00 N ATOM 179 CA THR A 13 -7.745 -27.416 -21.702 1.00 0.00 C ATOM 180 C THR A 13 -8.564 -26.329 -22.401 1.00 0.00 C ATOM 181 O THR A 13 -8.279 -25.141 -22.254 1.00 0.00 O ATOM 182 CB THR A 13 -6.584 -27.941 -22.549 1.00 0.00 C ATOM 183 OG1 THR A 13 -5.683 -28.498 -21.596 1.00 0.00 O ATOM 184 CG2 THR A 13 -5.782 -26.815 -23.206 1.00 0.00 C ATOM 0 H THR A 13 -8.342 -29.423 -21.807 1.00 0.00 H new ATOM 0 HA THR A 13 -7.329 -26.944 -20.812 1.00 0.00 H new ATOM 0 HB THR A 13 -6.970 -28.609 -23.319 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.884 -29.449 -21.472 1.00 0.00 H new ATOM 0 HG21 THR A 13 -4.970 -27.242 -23.795 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.436 -26.234 -23.857 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.368 -26.166 -22.435 1.00 0.00 H new ATOM 192 N PHE A 14 -9.564 -26.774 -23.147 1.00 0.00 N ATOM 193 CA PHE A 14 -10.426 -25.854 -23.869 1.00 0.00 C ATOM 194 C PHE A 14 -11.195 -24.950 -22.903 1.00 0.00 C ATOM 195 O PHE A 14 -11.144 -23.727 -23.017 1.00 0.00 O ATOM 196 CB PHE A 14 -11.425 -26.703 -24.659 1.00 0.00 C ATOM 197 CG PHE A 14 -11.950 -26.027 -25.927 1.00 0.00 C ATOM 198 CD1 PHE A 14 -11.086 -25.674 -26.917 1.00 0.00 C ATOM 199 CD2 PHE A 14 -13.280 -25.779 -26.065 1.00 0.00 C ATOM 200 CE1 PHE A 14 -11.573 -25.047 -28.094 1.00 0.00 C ATOM 201 CE2 PHE A 14 -13.767 -25.151 -27.242 1.00 0.00 C ATOM 202 CZ PHE A 14 -12.903 -24.799 -28.232 1.00 0.00 C ATOM 0 H PHE A 14 -9.797 -27.760 -23.267 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.827 -25.218 -24.521 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.950 -27.645 -24.932 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -12.269 -26.947 -24.014 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -10.030 -25.871 -26.807 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -13.966 -26.060 -25.279 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -10.887 -24.767 -28.880 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -14.823 -24.953 -27.351 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.273 -24.323 -29.128 1.00 0.00 H new ATOM 212 N GLY A 15 -11.891 -25.589 -21.973 1.00 0.00 N ATOM 213 CA GLY A 15 -12.670 -24.858 -20.988 1.00 0.00 C ATOM 214 C GLY A 15 -11.758 -24.115 -20.010 1.00 0.00 C ATOM 215 O GLY A 15 -12.169 -23.130 -19.398 1.00 0.00 O ATOM 0 H GLY A 15 -11.931 -26.604 -21.881 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -13.325 -24.147 -21.492 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -13.311 -25.549 -20.440 1.00 0.00 H new ATOM 219 N SER A 16 -10.537 -24.615 -19.892 1.00 0.00 N ATOM 220 CA SER A 16 -9.563 -24.011 -18.999 1.00 0.00 C ATOM 221 C SER A 16 -9.162 -22.629 -19.519 1.00 0.00 C ATOM 222 O SER A 16 -9.213 -21.646 -18.782 1.00 0.00 O ATOM 223 CB SER A 16 -8.327 -24.900 -18.848 1.00 0.00 C ATOM 224 OG SER A 16 -8.142 -25.334 -17.504 1.00 0.00 O ATOM 0 H SER A 16 -10.200 -25.432 -20.400 1.00 0.00 H new ATOM 0 HA SER A 16 -10.022 -23.904 -18.016 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.424 -25.769 -19.499 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.444 -24.352 -19.177 1.00 0.00 H new ATOM 0 HG SER A 16 -7.344 -25.900 -17.450 1.00 0.00 H new ATOM 230 N ILE A 17 -8.773 -22.599 -20.785 1.00 0.00 N ATOM 231 CA ILE A 17 -8.364 -21.354 -21.413 1.00 0.00 C ATOM 232 C ILE A 17 -9.566 -20.412 -21.500 1.00 0.00 C ATOM 233 O ILE A 17 -9.481 -19.252 -21.100 1.00 0.00 O ATOM 234 CB ILE A 17 -7.698 -21.628 -22.763 1.00 0.00 C ATOM 235 CG1 ILE A 17 -6.482 -22.541 -22.599 1.00 0.00 C ATOM 236 CG2 ILE A 17 -7.341 -20.320 -23.473 1.00 0.00 C ATOM 237 CD1 ILE A 17 -5.444 -21.912 -21.667 1.00 0.00 C ATOM 0 H ILE A 17 -8.732 -23.417 -21.393 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.609 -20.852 -20.807 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.412 -22.154 -23.396 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.798 -23.505 -22.199 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.032 -22.732 -23.573 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.869 -20.543 -24.430 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.247 -19.739 -23.642 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.652 -19.746 -22.853 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.590 -22.582 -21.568 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.112 -20.960 -22.082 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.889 -21.745 -20.686 1.00 0.00 H new ATOM 249 N PHE A 18 -10.659 -20.947 -22.025 1.00 0.00 N ATOM 250 CA PHE A 18 -11.878 -20.169 -22.169 1.00 0.00 C ATOM 251 C PHE A 18 -12.277 -19.523 -20.841 1.00 0.00 C ATOM 252 O PHE A 18 -12.681 -18.361 -20.808 1.00 0.00 O ATOM 253 CB PHE A 18 -12.979 -21.138 -22.602 1.00 0.00 C ATOM 254 CG PHE A 18 -14.032 -20.514 -23.520 1.00 0.00 C ATOM 255 CD1 PHE A 18 -14.950 -19.648 -23.012 1.00 0.00 C ATOM 256 CD2 PHE A 18 -14.051 -20.826 -24.844 1.00 0.00 C ATOM 257 CE1 PHE A 18 -15.927 -19.069 -23.863 1.00 0.00 C ATOM 258 CE2 PHE A 18 -15.029 -20.247 -25.695 1.00 0.00 C ATOM 259 CZ PHE A 18 -15.946 -19.381 -25.187 1.00 0.00 C ATOM 0 H PHE A 18 -10.726 -21.910 -22.356 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.727 -19.373 -22.898 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -12.522 -21.985 -23.113 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -13.473 -21.531 -21.713 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -14.935 -19.401 -21.961 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -13.323 -21.514 -25.248 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -16.655 -18.381 -23.460 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -15.045 -20.494 -26.746 1.00 0.00 H new ATOM 0 HZ PHE A 18 -16.690 -18.941 -25.835 1.00 0.00 H new ATOM 441 N ILE A 30 -6.305 -7.348 -8.399 1.00 0.00 N ATOM 442 CA ILE A 30 -7.032 -6.636 -7.362 1.00 0.00 C ATOM 443 C ILE A 30 -6.036 -5.989 -6.398 1.00 0.00 C ATOM 444 O ILE A 30 -6.336 -4.967 -5.783 1.00 0.00 O ATOM 445 CB ILE A 30 -8.036 -7.566 -6.677 1.00 0.00 C ATOM 446 CG1 ILE A 30 -8.853 -6.812 -5.627 1.00 0.00 C ATOM 447 CG2 ILE A 30 -7.334 -8.790 -6.086 1.00 0.00 C ATOM 448 CD1 ILE A 30 -9.593 -5.628 -6.254 1.00 0.00 C ATOM 0 HA ILE A 30 -7.624 -5.830 -7.797 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.736 -7.928 -7.430 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.570 -7.490 -5.164 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.194 -6.456 -4.835 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.070 -9.435 -5.605 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.833 -9.342 -6.882 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.598 -8.467 -5.350 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.166 -5.109 -5.486 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.871 -4.940 -6.695 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.269 -5.990 -7.028 1.00 0.00 H new ATOM 460 N ALA A 31 -4.871 -6.611 -6.297 1.00 0.00 N ATOM 461 CA ALA A 31 -3.828 -6.108 -5.418 1.00 0.00 C ATOM 462 C ALA A 31 -3.318 -4.768 -5.953 1.00 0.00 C ATOM 463 O ALA A 31 -3.117 -3.826 -5.188 1.00 0.00 O ATOM 464 CB ALA A 31 -2.714 -7.150 -5.298 1.00 0.00 C ATOM 0 H ALA A 31 -4.626 -7.458 -6.809 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.221 -5.935 -4.416 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.932 -6.773 -4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.122 -8.073 -4.886 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.293 -7.348 -6.284 1.00 0.00 H new ATOM 470 N GLY A 32 -3.124 -4.726 -7.263 1.00 0.00 N ATOM 471 CA GLY A 32 -2.641 -3.518 -7.909 1.00 0.00 C ATOM 472 C GLY A 32 -3.670 -2.390 -7.801 1.00 0.00 C ATOM 473 O GLY A 32 -3.355 -1.302 -7.321 1.00 0.00 O ATOM 0 H GLY A 32 -3.293 -5.509 -7.894 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.704 -3.205 -7.449 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.429 -3.722 -8.958 1.00 0.00 H new ATOM 477 N LEU A 33 -4.878 -2.688 -8.255 1.00 0.00 N ATOM 478 CA LEU A 33 -5.954 -1.713 -8.215 1.00 0.00 C ATOM 479 C LEU A 33 -6.077 -1.153 -6.796 1.00 0.00 C ATOM 480 O LEU A 33 -6.244 0.052 -6.613 1.00 0.00 O ATOM 481 CB LEU A 33 -7.251 -2.324 -8.749 1.00 0.00 C ATOM 482 CG LEU A 33 -8.496 -1.439 -8.660 1.00 0.00 C ATOM 483 CD1 LEU A 33 -8.962 -1.008 -10.052 1.00 0.00 C ATOM 484 CD2 LEU A 33 -9.609 -2.135 -7.874 1.00 0.00 C ATOM 0 H LEU A 33 -5.136 -3.591 -8.653 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.730 -0.872 -8.872 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.098 -2.597 -9.793 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.446 -3.247 -8.203 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.233 -0.534 -8.113 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.848 -0.380 -9.961 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.168 -0.446 -10.544 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.202 -1.891 -10.645 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.482 -1.484 -7.826 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.878 -3.067 -8.372 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.261 -2.351 -6.864 1.00 0.00 H new ATOM 496 N PHE A 34 -5.990 -2.055 -5.829 1.00 0.00 N ATOM 497 CA PHE A 34 -6.089 -1.666 -4.433 1.00 0.00 C ATOM 498 C PHE A 34 -4.992 -0.665 -4.063 1.00 0.00 C ATOM 499 O PHE A 34 -5.273 0.387 -3.491 1.00 0.00 O ATOM 500 CB PHE A 34 -5.905 -2.936 -3.600 1.00 0.00 C ATOM 501 CG PHE A 34 -6.056 -2.720 -2.093 1.00 0.00 C ATOM 502 CD1 PHE A 34 -7.183 -2.141 -1.599 1.00 0.00 C ATOM 503 CD2 PHE A 34 -5.063 -3.108 -1.248 1.00 0.00 C ATOM 504 CE1 PHE A 34 -7.323 -1.940 -0.200 1.00 0.00 C ATOM 505 CE2 PHE A 34 -5.203 -2.907 0.151 1.00 0.00 C ATOM 506 CZ PHE A 34 -6.330 -2.328 0.645 1.00 0.00 C ATOM 0 H PHE A 34 -5.852 -3.054 -5.985 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.053 -1.193 -4.247 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.633 -3.680 -3.925 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.916 -3.349 -3.800 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.971 -1.834 -2.270 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.169 -3.569 -1.641 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -8.217 -1.479 0.193 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.415 -3.214 0.822 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.437 -2.176 1.709 1.00 0.00 H new ATOM 516 N VAL A 35 -3.764 -1.028 -4.405 1.00 0.00 N ATOM 517 CA VAL A 35 -2.624 -0.175 -4.116 1.00 0.00 C ATOM 518 C VAL A 35 -2.834 1.190 -4.774 1.00 0.00 C ATOM 519 O VAL A 35 -2.453 2.217 -4.215 1.00 0.00 O ATOM 520 CB VAL A 35 -1.331 -0.862 -4.562 1.00 0.00 C ATOM 521 CG1 VAL A 35 -0.190 0.149 -4.691 1.00 0.00 C ATOM 522 CG2 VAL A 35 -0.954 -1.996 -3.606 1.00 0.00 C ATOM 0 H VAL A 35 -3.534 -1.901 -4.879 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.534 -0.007 -3.043 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.505 -1.298 -5.546 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.717 -0.365 -5.009 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.456 0.906 -5.429 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.017 0.627 -3.727 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.032 -2.467 -3.946 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.808 -1.593 -2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.754 -2.736 -3.586 1.00 0.00 H new ATOM 532 N GLY A 36 -3.439 1.156 -5.952 1.00 0.00 N ATOM 533 CA GLY A 36 -3.704 2.379 -6.692 1.00 0.00 C ATOM 534 C GLY A 36 -4.787 3.212 -6.004 1.00 0.00 C ATOM 535 O GLY A 36 -4.698 4.438 -5.961 1.00 0.00 O ATOM 0 H GLY A 36 -3.753 0.302 -6.412 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.788 2.964 -6.775 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.018 2.134 -7.706 1.00 0.00 H new ATOM 539 N CYS A 37 -5.785 2.513 -5.483 1.00 0.00 N ATOM 540 CA CYS A 37 -6.884 3.174 -4.800 1.00 0.00 C ATOM 541 C CYS A 37 -6.334 3.834 -3.534 1.00 0.00 C ATOM 542 O CYS A 37 -6.485 5.040 -3.343 1.00 0.00 O ATOM 543 CB CYS A 37 -8.022 2.200 -4.487 1.00 0.00 C ATOM 544 SG CYS A 37 -9.636 3.040 -4.687 1.00 0.00 S ATOM 0 H CYS A 37 -5.855 1.496 -5.520 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.314 3.937 -5.449 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.967 1.337 -5.151 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.921 1.825 -3.468 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.596 2.205 -4.421 1.00 0.00 H new ATOM 550 N LEU A 38 -5.709 3.015 -2.701 1.00 0.00 N ATOM 551 CA LEU A 38 -5.137 3.505 -1.458 1.00 0.00 C ATOM 552 C LEU A 38 -4.080 4.566 -1.772 1.00 0.00 C ATOM 553 O LEU A 38 -3.852 5.475 -0.975 1.00 0.00 O ATOM 554 CB LEU A 38 -4.608 2.342 -0.617 1.00 0.00 C ATOM 555 CG LEU A 38 -3.328 1.675 -1.123 1.00 0.00 C ATOM 556 CD1 LEU A 38 -2.088 2.415 -0.619 1.00 0.00 C ATOM 557 CD2 LEU A 38 -3.299 0.190 -0.753 1.00 0.00 C ATOM 0 H LEU A 38 -5.586 2.015 -2.862 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.903 3.986 -0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.429 2.704 0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.388 1.583 -0.551 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.319 1.736 -2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.192 1.920 -0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.109 3.445 -0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.078 2.408 0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.378 -0.260 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.343 0.084 0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.155 -0.313 -1.201 1.00 0.00 H new ATOM 569 N ALA A 39 -3.464 4.416 -2.935 1.00 0.00 N ATOM 570 CA ALA A 39 -2.437 5.351 -3.364 1.00 0.00 C ATOM 571 C ALA A 39 -3.064 6.731 -3.570 1.00 0.00 C ATOM 572 O ALA A 39 -2.674 7.697 -2.917 1.00 0.00 O ATOM 573 CB ALA A 39 -1.763 4.822 -4.632 1.00 0.00 C ATOM 0 H ALA A 39 -3.656 3.661 -3.594 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.665 5.450 -2.601 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.993 5.523 -4.954 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.308 3.853 -4.425 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.507 4.713 -5.421 1.00 0.00 H new ATOM 579 N GLY A 40 -4.025 6.780 -4.481 1.00 0.00 N ATOM 580 CA GLY A 40 -4.709 8.026 -4.781 1.00 0.00 C ATOM 581 C GLY A 40 -5.478 8.536 -3.561 1.00 0.00 C ATOM 582 O GLY A 40 -5.161 9.595 -3.021 1.00 0.00 O ATOM 0 H GLY A 40 -4.346 5.977 -5.021 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.984 8.776 -5.098 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.397 7.876 -5.613 1.00 0.00 H new ATOM 768 N ASP A 52 5.027 11.019 -5.828 1.00 0.00 N ATOM 769 CA ASP A 52 3.928 10.712 -6.728 1.00 0.00 C ATOM 770 C ASP A 52 4.034 9.254 -7.178 1.00 0.00 C ATOM 771 O ASP A 52 3.119 8.463 -6.955 1.00 0.00 O ATOM 772 CB ASP A 52 3.975 11.597 -7.975 1.00 0.00 C ATOM 773 CG ASP A 52 2.642 11.748 -8.712 1.00 0.00 C ATOM 774 OD1 ASP A 52 1.578 11.386 -8.187 1.00 0.00 O ATOM 775 OD2 ASP A 52 2.726 12.268 -9.889 1.00 0.00 O ATOM 0 HA ASP A 52 2.995 10.890 -6.194 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.327 12.587 -7.686 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.711 11.186 -8.666 1.00 0.00 H new ATOM 780 N VAL A 53 5.160 8.942 -7.803 1.00 0.00 N ATOM 781 CA VAL A 53 5.398 7.592 -8.287 1.00 0.00 C ATOM 782 C VAL A 53 6.230 6.826 -7.257 1.00 0.00 C ATOM 783 O VAL A 53 6.354 5.605 -7.339 1.00 0.00 O ATOM 784 CB VAL A 53 6.052 7.640 -9.669 1.00 0.00 C ATOM 785 CG1 VAL A 53 6.378 6.231 -10.170 1.00 0.00 C ATOM 786 CG2 VAL A 53 5.167 8.386 -10.669 1.00 0.00 C ATOM 0 H VAL A 53 5.917 9.600 -7.985 1.00 0.00 H new ATOM 0 HA VAL A 53 4.456 7.057 -8.407 1.00 0.00 H new ATOM 0 HB VAL A 53 6.989 8.189 -9.577 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.842 6.293 -11.154 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.065 5.748 -9.475 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.460 5.647 -10.238 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.655 8.406 -11.643 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.207 7.878 -10.755 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.007 9.407 -10.323 1.00 0.00 H new ATOM 796 N LYS A 54 6.780 7.574 -6.312 1.00 0.00 N ATOM 797 CA LYS A 54 7.597 6.981 -5.267 1.00 0.00 C ATOM 798 C LYS A 54 6.741 6.018 -4.441 1.00 0.00 C ATOM 799 O LYS A 54 7.171 4.908 -4.132 1.00 0.00 O ATOM 800 CB LYS A 54 8.276 8.069 -4.434 1.00 0.00 C ATOM 801 CG LYS A 54 9.741 7.721 -4.166 1.00 0.00 C ATOM 802 CD LYS A 54 10.628 8.963 -4.270 1.00 0.00 C ATOM 803 CE LYS A 54 11.723 8.946 -3.201 1.00 0.00 C ATOM 804 NZ LYS A 54 13.062 8.969 -3.831 1.00 0.00 N ATOM 0 H LYS A 54 6.676 8.587 -6.248 1.00 0.00 H new ATOM 0 HA LYS A 54 8.406 6.395 -5.703 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.215 9.023 -4.957 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.748 8.190 -3.488 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.838 7.282 -3.173 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.076 6.969 -4.881 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.082 9.008 -5.260 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.019 9.860 -4.157 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.610 9.807 -2.542 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.621 8.055 -2.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.794 8.957 -3.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.173 8.134 -4.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.162 9.832 -4.403 1.00 0.00 H new ATOM 818 N VAL A 55 5.544 6.479 -4.108 1.00 0.00 N ATOM 819 CA VAL A 55 4.624 5.672 -3.324 1.00 0.00 C ATOM 820 C VAL A 55 4.125 4.503 -4.174 1.00 0.00 C ATOM 821 O VAL A 55 3.966 3.390 -3.674 1.00 0.00 O ATOM 822 CB VAL A 55 3.490 6.547 -2.786 1.00 0.00 C ATOM 823 CG1 VAL A 55 2.640 7.106 -3.928 1.00 0.00 C ATOM 824 CG2 VAL A 55 2.626 5.773 -1.788 1.00 0.00 C ATOM 0 H VAL A 55 5.190 7.400 -4.366 1.00 0.00 H new ATOM 0 HA VAL A 55 5.131 5.249 -2.457 1.00 0.00 H new ATOM 0 HB VAL A 55 3.938 7.389 -2.259 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.841 7.724 -3.518 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.266 7.710 -4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.207 6.283 -4.496 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.828 6.418 -1.421 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.192 4.903 -2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.242 5.446 -0.950 1.00 0.00 H new ATOM 834 N SER A 56 3.892 4.794 -5.446 1.00 0.00 N ATOM 835 CA SER A 56 3.415 3.781 -6.371 1.00 0.00 C ATOM 836 C SER A 56 4.328 2.554 -6.321 1.00 0.00 C ATOM 837 O SER A 56 3.874 1.449 -6.029 1.00 0.00 O ATOM 838 CB SER A 56 3.340 4.329 -7.797 1.00 0.00 C ATOM 839 OG SER A 56 2.372 3.639 -8.584 1.00 0.00 O ATOM 0 H SER A 56 4.025 5.718 -5.857 1.00 0.00 H new ATOM 0 HA SER A 56 2.409 3.489 -6.069 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.092 5.390 -7.765 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.319 4.245 -8.270 1.00 0.00 H new ATOM 0 HG SER A 56 2.713 3.524 -9.495 1.00 0.00 H new ATOM 845 N LEU A 57 5.600 2.791 -6.609 1.00 0.00 N ATOM 846 CA LEU A 57 6.581 1.719 -6.600 1.00 0.00 C ATOM 847 C LEU A 57 6.813 1.258 -5.160 1.00 0.00 C ATOM 848 O LEU A 57 6.514 0.115 -4.815 1.00 0.00 O ATOM 849 CB LEU A 57 7.859 2.157 -7.319 1.00 0.00 C ATOM 850 CG LEU A 57 8.658 1.046 -8.002 1.00 0.00 C ATOM 851 CD1 LEU A 57 8.961 1.405 -9.458 1.00 0.00 C ATOM 852 CD2 LEU A 57 9.930 0.722 -7.215 1.00 0.00 C ATOM 0 H LEU A 57 5.973 3.709 -6.850 1.00 0.00 H new ATOM 0 HA LEU A 57 6.209 0.858 -7.155 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.593 2.901 -8.070 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.507 2.652 -6.596 1.00 0.00 H new ATOM 0 HG LEU A 57 8.047 0.143 -8.013 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.530 0.599 -9.921 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.026 1.547 -10.000 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.543 2.326 -9.492 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.480 -0.071 -7.722 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.555 1.613 -7.151 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.663 0.393 -6.211 1.00 0.00 H new ATOM 864 N PHE A 58 7.343 2.169 -4.358 1.00 0.00 N ATOM 865 CA PHE A 58 7.618 1.870 -2.963 1.00 0.00 C ATOM 866 C PHE A 58 6.530 0.972 -2.370 1.00 0.00 C ATOM 867 O PHE A 58 6.820 0.086 -1.568 1.00 0.00 O ATOM 868 CB PHE A 58 7.627 3.203 -2.213 1.00 0.00 C ATOM 869 CG PHE A 58 7.882 3.070 -0.710 1.00 0.00 C ATOM 870 CD1 PHE A 58 6.887 2.645 0.114 1.00 0.00 C ATOM 871 CD2 PHE A 58 9.105 3.376 -0.198 1.00 0.00 C ATOM 872 CE1 PHE A 58 7.124 2.521 1.508 1.00 0.00 C ATOM 873 CE2 PHE A 58 9.342 3.253 1.197 1.00 0.00 C ATOM 874 CZ PHE A 58 8.346 2.828 2.020 1.00 0.00 C ATOM 0 H PHE A 58 7.590 3.115 -4.648 1.00 0.00 H new ATOM 0 HA PHE A 58 8.571 1.348 -2.875 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.393 3.846 -2.646 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.669 3.701 -2.366 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.916 2.402 -0.292 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.896 3.712 -0.852 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.334 2.183 2.162 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.312 3.497 1.604 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.526 2.734 3.081 1.00 0.00 H new ATOM 884 N THR A 59 5.300 1.233 -2.788 1.00 0.00 N ATOM 885 CA THR A 59 4.167 0.460 -2.308 1.00 0.00 C ATOM 886 C THR A 59 4.162 -0.931 -2.945 1.00 0.00 C ATOM 887 O THR A 59 4.250 -1.939 -2.245 1.00 0.00 O ATOM 888 CB THR A 59 2.894 1.261 -2.589 1.00 0.00 C ATOM 889 OG1 THR A 59 2.998 2.391 -1.727 1.00 0.00 O ATOM 890 CG2 THR A 59 1.632 0.541 -2.111 1.00 0.00 C ATOM 0 H THR A 59 5.063 1.969 -3.454 1.00 0.00 H new ATOM 0 HA THR A 59 4.231 0.291 -1.233 1.00 0.00 H new ATOM 0 HB THR A 59 2.816 1.457 -3.659 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.481 3.110 -2.186 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.758 1.152 -2.334 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.545 -0.418 -2.622 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.693 0.375 -1.035 1.00 0.00 H new ATOM 898 N ALA A 60 4.060 -0.942 -4.266 1.00 0.00 N ATOM 899 CA ALA A 60 4.043 -2.192 -5.005 1.00 0.00 C ATOM 900 C ALA A 60 5.077 -3.148 -4.407 1.00 0.00 C ATOM 901 O ALA A 60 4.792 -4.326 -4.198 1.00 0.00 O ATOM 902 CB ALA A 60 4.297 -1.912 -6.488 1.00 0.00 C ATOM 0 H ALA A 60 3.988 -0.104 -4.844 1.00 0.00 H new ATOM 0 HA ALA A 60 3.067 -2.671 -4.926 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.284 -2.850 -7.043 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.519 -1.253 -6.872 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.269 -1.434 -6.607 1.00 0.00 H new ATOM 908 N PHE A 61 6.258 -2.604 -4.148 1.00 0.00 N ATOM 909 CA PHE A 61 7.336 -3.394 -3.578 1.00 0.00 C ATOM 910 C PHE A 61 7.021 -3.791 -2.134 1.00 0.00 C ATOM 911 O PHE A 61 7.217 -4.942 -1.746 1.00 0.00 O ATOM 912 CB PHE A 61 8.589 -2.516 -3.591 1.00 0.00 C ATOM 913 CG PHE A 61 9.862 -3.254 -4.008 1.00 0.00 C ATOM 914 CD1 PHE A 61 10.437 -4.149 -3.161 1.00 0.00 C ATOM 915 CD2 PHE A 61 10.419 -3.015 -5.225 1.00 0.00 C ATOM 916 CE1 PHE A 61 11.619 -4.834 -3.548 1.00 0.00 C ATOM 917 CE2 PHE A 61 11.601 -3.700 -5.612 1.00 0.00 C ATOM 918 CZ PHE A 61 12.176 -4.595 -4.765 1.00 0.00 C ATOM 0 H PHE A 61 6.491 -1.626 -4.322 1.00 0.00 H new ATOM 0 HA PHE A 61 7.473 -4.308 -4.156 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.427 -1.680 -4.271 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.735 -2.094 -2.596 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.995 -4.339 -2.194 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.962 -2.304 -5.898 1.00 0.00 H new ATOM 0 HE1 PHE A 61 12.076 -5.545 -2.875 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.043 -3.510 -6.579 1.00 0.00 H new ATOM 0 HZ PHE A 61 13.075 -5.116 -5.059 1.00 0.00 H new ATOM 928 N PHE A 62 6.537 -2.816 -1.378 1.00 0.00 N ATOM 929 CA PHE A 62 6.193 -3.050 0.014 1.00 0.00 C ATOM 930 C PHE A 62 5.113 -4.126 0.138 1.00 0.00 C ATOM 931 O PHE A 62 5.362 -5.200 0.684 1.00 0.00 O ATOM 932 CB PHE A 62 5.648 -1.731 0.567 1.00 0.00 C ATOM 933 CG PHE A 62 5.360 -1.758 2.069 1.00 0.00 C ATOM 934 CD1 PHE A 62 6.389 -1.787 2.959 1.00 0.00 C ATOM 935 CD2 PHE A 62 4.075 -1.754 2.515 1.00 0.00 C ATOM 936 CE1 PHE A 62 6.121 -1.812 4.353 1.00 0.00 C ATOM 937 CE2 PHE A 62 3.808 -1.780 3.910 1.00 0.00 C ATOM 938 CZ PHE A 62 4.836 -1.808 4.799 1.00 0.00 C ATOM 0 H PHE A 62 6.375 -1.863 -1.703 1.00 0.00 H new ATOM 0 HA PHE A 62 7.071 -3.390 0.563 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.366 -0.938 0.359 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.730 -1.478 0.036 1.00 0.00 H new ATOM 0 HD1 PHE A 62 7.409 -1.791 2.605 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.258 -1.731 1.809 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.938 -1.834 5.059 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.788 -1.778 4.264 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.632 -1.827 5.859 1.00 0.00 H new ATOM 948 N LEU A 63 3.936 -3.801 -0.376 1.00 0.00 N ATOM 949 CA LEU A 63 2.817 -4.727 -0.330 1.00 0.00 C ATOM 950 C LEU A 63 3.267 -6.091 -0.856 1.00 0.00 C ATOM 951 O LEU A 63 2.972 -7.122 -0.253 1.00 0.00 O ATOM 952 CB LEU A 63 1.612 -4.148 -1.073 1.00 0.00 C ATOM 953 CG LEU A 63 0.379 -3.844 -0.218 1.00 0.00 C ATOM 954 CD1 LEU A 63 0.253 -2.343 0.047 1.00 0.00 C ATOM 955 CD2 LEU A 63 -0.886 -4.423 -0.854 1.00 0.00 C ATOM 0 H LEU A 63 3.733 -2.909 -0.827 1.00 0.00 H new ATOM 0 HA LEU A 63 2.487 -4.875 0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.923 -3.227 -1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.323 -4.848 -1.857 1.00 0.00 H new ATOM 0 HG LEU A 63 0.504 -4.332 0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.631 -2.154 0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.140 -1.991 0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.160 -1.813 -0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.747 -4.193 -0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.030 -3.985 -1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.784 -5.504 -0.948 1.00 0.00 H new ATOM 967 N ALA A 64 3.975 -6.053 -1.976 1.00 0.00 N ATOM 968 CA ALA A 64 4.469 -7.274 -2.590 1.00 0.00 C ATOM 969 C ALA A 64 5.152 -8.136 -1.526 1.00 0.00 C ATOM 970 O ALA A 64 4.823 -9.310 -1.369 1.00 0.00 O ATOM 971 CB ALA A 64 5.408 -6.921 -3.745 1.00 0.00 C ATOM 0 H ALA A 64 4.218 -5.196 -2.474 1.00 0.00 H new ATOM 0 HA ALA A 64 3.645 -7.855 -3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.779 -7.837 -4.206 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.867 -6.335 -4.488 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.249 -6.340 -3.366 1.00 0.00 H new ATOM 977 N THR A 65 6.090 -7.518 -0.824 1.00 0.00 N ATOM 978 CA THR A 65 6.823 -8.214 0.221 1.00 0.00 C ATOM 979 C THR A 65 5.856 -8.789 1.257 1.00 0.00 C ATOM 980 O THR A 65 5.891 -9.984 1.549 1.00 0.00 O ATOM 981 CB THR A 65 7.840 -7.238 0.815 1.00 0.00 C ATOM 982 OG1 THR A 65 8.926 -7.264 -0.109 1.00 0.00 O ATOM 983 CG2 THR A 65 8.450 -7.752 2.121 1.00 0.00 C ATOM 0 H THR A 65 6.360 -6.543 -0.958 1.00 0.00 H new ATOM 0 HA THR A 65 7.367 -9.069 -0.180 1.00 0.00 H new ATOM 0 HB THR A 65 7.360 -6.276 0.992 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.631 -6.657 0.198 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.165 -7.022 2.501 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.660 -7.903 2.857 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.960 -8.698 1.937 1.00 0.00 H new ATOM 991 N ILE A 66 5.014 -7.912 1.785 1.00 0.00 N ATOM 992 CA ILE A 66 4.039 -8.318 2.783 1.00 0.00 C ATOM 993 C ILE A 66 3.308 -9.570 2.295 1.00 0.00 C ATOM 994 O ILE A 66 3.405 -10.630 2.912 1.00 0.00 O ATOM 995 CB ILE A 66 3.106 -7.155 3.124 1.00 0.00 C ATOM 996 CG1 ILE A 66 3.888 -5.977 3.710 1.00 0.00 C ATOM 997 CG2 ILE A 66 1.977 -7.611 4.051 1.00 0.00 C ATOM 998 CD1 ILE A 66 4.183 -6.199 5.194 1.00 0.00 C ATOM 0 H ILE A 66 4.987 -6.922 1.540 1.00 0.00 H new ATOM 0 HA ILE A 66 4.536 -8.582 3.716 1.00 0.00 H new ATOM 0 HB ILE A 66 2.644 -6.807 2.200 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.823 -5.849 3.165 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.317 -5.057 3.583 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.328 -6.765 4.278 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.396 -8.392 3.560 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.401 -8.001 4.976 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.739 -5.348 5.586 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.245 -6.302 5.740 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.775 -7.106 5.316 1.00 0.00 H new ATOM 1010 N MET A 67 2.591 -9.407 1.193 1.00 0.00 N ATOM 1011 CA MET A 67 1.843 -10.511 0.616 1.00 0.00 C ATOM 1012 C MET A 67 2.666 -11.801 0.637 1.00 0.00 C ATOM 1013 O MET A 67 2.329 -12.744 1.351 1.00 0.00 O ATOM 1014 CB MET A 67 1.463 -10.172 -0.827 1.00 0.00 C ATOM 1015 CG MET A 67 0.342 -9.131 -0.868 1.00 0.00 C ATOM 1016 SD MET A 67 -1.173 -9.889 -1.433 1.00 0.00 S ATOM 1017 CE MET A 67 -1.980 -10.172 0.134 1.00 0.00 C ATOM 0 H MET A 67 2.512 -8.527 0.684 1.00 0.00 H new ATOM 0 HA MET A 67 0.943 -10.666 1.211 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.336 -9.792 -1.357 1.00 0.00 H new ATOM 0 HB3 MET A 67 1.144 -11.076 -1.345 1.00 0.00 H new ATOM 0 HG2 MET A 67 0.196 -8.702 0.123 1.00 0.00 H new ATOM 0 HG3 MET A 67 0.619 -8.312 -1.532 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.948 -10.644 -0.035 1.00 0.00 H new ATOM 0 HE2 MET A 67 -1.361 -10.825 0.750 1.00 0.00 H new ATOM 0 HE3 MET A 67 -2.125 -9.221 0.646 1.00 0.00 H new ATOM 1027 N GLY A 68 3.729 -11.800 -0.154 1.00 0.00 N ATOM 1028 CA GLY A 68 4.602 -12.958 -0.235 1.00 0.00 C ATOM 1029 C GLY A 68 3.799 -14.234 -0.495 1.00 0.00 C ATOM 1030 O GLY A 68 4.095 -15.285 0.072 1.00 0.00 O ATOM 0 H GLY A 68 4.005 -11.015 -0.744 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.330 -12.814 -1.033 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.163 -13.060 0.694 1.00 0.00 H new ATOM 1245 N ALA A 80 2.047 -9.534 -10.392 1.00 0.00 N ATOM 1246 CA ALA A 80 1.712 -9.061 -11.724 1.00 0.00 C ATOM 1247 C ALA A 80 0.761 -7.867 -11.613 1.00 0.00 C ATOM 1248 O ALA A 80 1.002 -6.820 -12.211 1.00 0.00 O ATOM 1249 CB ALA A 80 1.113 -10.210 -12.538 1.00 0.00 C ATOM 0 HA ALA A 80 2.606 -8.722 -12.247 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.862 -9.855 -13.538 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.838 -11.020 -12.612 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.212 -10.574 -12.045 1.00 0.00 H new ATOM 1255 N GLY A 81 -0.299 -8.066 -10.843 1.00 0.00 N ATOM 1256 CA GLY A 81 -1.287 -7.019 -10.646 1.00 0.00 C ATOM 1257 C GLY A 81 -0.698 -5.851 -9.851 1.00 0.00 C ATOM 1258 O GLY A 81 -0.909 -4.690 -10.197 1.00 0.00 O ATOM 0 H GLY A 81 -0.495 -8.936 -10.348 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.642 -6.663 -11.613 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.151 -7.424 -10.118 1.00 0.00 H new ATOM 1262 N LEU A 82 0.030 -6.200 -8.800 1.00 0.00 N ATOM 1263 CA LEU A 82 0.651 -5.196 -7.953 1.00 0.00 C ATOM 1264 C LEU A 82 1.362 -4.165 -8.830 1.00 0.00 C ATOM 1265 O LEU A 82 0.942 -3.011 -8.902 1.00 0.00 O ATOM 1266 CB LEU A 82 1.563 -5.858 -6.918 1.00 0.00 C ATOM 1267 CG LEU A 82 1.092 -5.787 -5.464 1.00 0.00 C ATOM 1268 CD1 LEU A 82 1.550 -7.017 -4.678 1.00 0.00 C ATOM 1269 CD2 LEU A 82 1.545 -4.483 -4.804 1.00 0.00 C ATOM 0 H LEU A 82 0.204 -7.164 -8.516 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.105 -4.660 -7.380 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.685 -6.907 -7.189 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.548 -5.396 -6.983 1.00 0.00 H new ATOM 0 HG LEU A 82 0.002 -5.789 -5.458 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.202 -6.941 -3.648 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.136 -7.916 -5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.639 -7.072 -4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.197 -4.458 -3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.633 -4.425 -4.822 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.128 -3.636 -5.348 1.00 0.00 H new ATOM 1281 N VAL A 83 2.428 -4.618 -9.475 1.00 0.00 N ATOM 1282 CA VAL A 83 3.202 -3.748 -10.345 1.00 0.00 C ATOM 1283 C VAL A 83 2.272 -3.111 -11.380 1.00 0.00 C ATOM 1284 O VAL A 83 2.378 -1.919 -11.664 1.00 0.00 O ATOM 1285 CB VAL A 83 4.354 -4.532 -10.977 1.00 0.00 C ATOM 1286 CG1 VAL A 83 5.446 -4.827 -9.947 1.00 0.00 C ATOM 1287 CG2 VAL A 83 3.848 -5.822 -11.625 1.00 0.00 C ATOM 0 H VAL A 83 2.774 -5.576 -9.412 1.00 0.00 H new ATOM 0 HA VAL A 83 3.654 -2.938 -9.773 1.00 0.00 H new ATOM 0 HB VAL A 83 4.791 -3.913 -11.760 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.253 -5.385 -10.422 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.837 -3.889 -9.552 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.027 -5.417 -9.132 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.686 -6.360 -12.067 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.373 -6.447 -10.869 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.123 -5.579 -12.402 1.00 0.00 H new ATOM 1297 N ALA A 84 1.383 -3.935 -11.916 1.00 0.00 N ATOM 1298 CA ALA A 84 0.436 -3.467 -12.913 1.00 0.00 C ATOM 1299 C ALA A 84 -0.289 -2.230 -12.381 1.00 0.00 C ATOM 1300 O ALA A 84 -0.648 -1.338 -13.149 1.00 0.00 O ATOM 1301 CB ALA A 84 -0.529 -4.599 -13.272 1.00 0.00 C ATOM 0 H ALA A 84 1.299 -4.923 -11.678 1.00 0.00 H new ATOM 0 HA ALA A 84 0.954 -3.178 -13.827 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.240 -4.248 -14.020 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.033 -5.443 -13.673 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -1.069 -4.914 -12.379 1.00 0.00 H new ATOM 1307 N GLY A 85 -0.484 -2.215 -11.071 1.00 0.00 N ATOM 1308 CA GLY A 85 -1.160 -1.101 -10.427 1.00 0.00 C ATOM 1309 C GLY A 85 -0.220 0.096 -10.273 1.00 0.00 C ATOM 1310 O GLY A 85 -0.603 1.231 -10.554 1.00 0.00 O ATOM 0 H GLY A 85 -0.186 -2.957 -10.437 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.031 -0.811 -11.015 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.525 -1.410 -9.447 1.00 0.00 H new ATOM 1314 N LEU A 86 0.993 -0.198 -9.827 1.00 0.00 N ATOM 1315 CA LEU A 86 1.990 0.840 -9.633 1.00 0.00 C ATOM 1316 C LEU A 86 2.109 1.673 -10.911 1.00 0.00 C ATOM 1317 O LEU A 86 2.187 2.899 -10.852 1.00 0.00 O ATOM 1318 CB LEU A 86 3.315 0.231 -9.171 1.00 0.00 C ATOM 1319 CG LEU A 86 4.475 0.314 -10.165 1.00 0.00 C ATOM 1320 CD1 LEU A 86 5.091 1.715 -10.173 1.00 0.00 C ATOM 1321 CD2 LEU A 86 5.518 -0.769 -9.883 1.00 0.00 C ATOM 0 H LEU A 86 1.307 -1.140 -9.595 1.00 0.00 H new ATOM 0 HA LEU A 86 1.683 1.518 -8.837 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.617 0.726 -8.248 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.145 -0.818 -8.929 1.00 0.00 H new ATOM 0 HG LEU A 86 4.082 0.129 -11.165 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.913 1.747 -10.888 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.333 2.444 -10.459 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.466 1.953 -9.178 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.331 -0.687 -10.604 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.912 -0.641 -8.875 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.054 -1.752 -9.969 1.00 0.00 H new ATOM 1333 N SER A 87 2.120 0.974 -12.036 1.00 0.00 N ATOM 1334 CA SER A 87 2.228 1.633 -13.326 1.00 0.00 C ATOM 1335 C SER A 87 0.916 2.344 -13.662 1.00 0.00 C ATOM 1336 O SER A 87 0.904 3.548 -13.912 1.00 0.00 O ATOM 1337 CB SER A 87 2.588 0.634 -14.427 1.00 0.00 C ATOM 1338 OG SER A 87 3.684 1.083 -15.219 1.00 0.00 O ATOM 0 H SER A 87 2.056 -0.043 -12.081 1.00 0.00 H new ATOM 0 HA SER A 87 3.028 2.371 -13.267 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.836 -0.327 -13.977 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.721 0.472 -15.067 1.00 0.00 H new ATOM 0 HG SER A 87 3.884 0.417 -15.909 1.00 0.00 H new ATOM 1344 N LEU A 88 -0.158 1.568 -13.658 1.00 0.00 N ATOM 1345 CA LEU A 88 -1.473 2.108 -13.959 1.00 0.00 C ATOM 1346 C LEU A 88 -1.683 3.400 -13.167 1.00 0.00 C ATOM 1347 O LEU A 88 -2.383 4.304 -13.621 1.00 0.00 O ATOM 1348 CB LEU A 88 -2.555 1.054 -13.714 1.00 0.00 C ATOM 1349 CG LEU A 88 -3.136 0.387 -14.962 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -3.588 -1.043 -14.659 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -4.265 1.230 -15.559 1.00 0.00 C ATOM 0 H LEU A 88 -0.144 0.569 -13.451 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.545 2.366 -15.016 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.139 0.278 -13.072 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.371 1.521 -13.163 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.349 0.324 -15.713 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.997 -1.495 -15.563 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.736 -1.629 -14.315 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.354 -1.026 -13.883 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.660 0.733 -16.445 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.060 1.347 -14.823 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.879 2.211 -15.835 1.00 0.00 H new ATOM 1363 N MET A 89 -1.063 3.446 -11.997 1.00 0.00 N ATOM 1364 CA MET A 89 -1.173 4.613 -11.137 1.00 0.00 C ATOM 1365 C MET A 89 -0.306 5.761 -11.657 1.00 0.00 C ATOM 1366 O MET A 89 -0.823 6.802 -12.058 1.00 0.00 O ATOM 1367 CB MET A 89 -0.735 4.244 -9.718 1.00 0.00 C ATOM 1368 CG MET A 89 -1.312 5.224 -8.695 1.00 0.00 C ATOM 1369 SD MET A 89 0.005 5.941 -7.727 1.00 0.00 S ATOM 1370 CE MET A 89 0.701 7.061 -8.931 1.00 0.00 C ATOM 0 H MET A 89 -0.483 2.694 -11.624 1.00 0.00 H new ATOM 0 HA MET A 89 -2.212 4.941 -11.132 1.00 0.00 H new ATOM 0 HB2 MET A 89 -1.064 3.232 -9.483 1.00 0.00 H new ATOM 0 HB3 MET A 89 0.353 4.247 -9.657 1.00 0.00 H new ATOM 0 HG2 MET A 89 -1.869 6.010 -9.206 1.00 0.00 H new ATOM 0 HG3 MET A 89 -2.016 4.708 -8.042 1.00 0.00 H new ATOM 0 HE1 MET A 89 0.969 7.999 -8.444 1.00 0.00 H new ATOM 0 HE2 MET A 89 1.592 6.614 -9.372 1.00 0.00 H new ATOM 0 HE3 MET A 89 -0.032 7.255 -9.714 1.00 0.00 H new ATOM 1380 N MET A 90 0.999 5.532 -11.634 1.00 0.00 N ATOM 1381 CA MET A 90 1.943 6.534 -12.098 1.00 0.00 C ATOM 1382 C MET A 90 1.426 7.233 -13.357 1.00 0.00 C ATOM 1383 O MET A 90 1.687 8.416 -13.567 1.00 0.00 O ATOM 1384 CB MET A 90 3.288 5.868 -12.400 1.00 0.00 C ATOM 1385 CG MET A 90 4.225 6.832 -13.131 1.00 0.00 C ATOM 1386 SD MET A 90 4.442 6.306 -14.822 1.00 0.00 S ATOM 1387 CE MET A 90 5.599 4.967 -14.584 1.00 0.00 C ATOM 0 H MET A 90 1.425 4.667 -11.301 1.00 0.00 H new ATOM 0 HA MET A 90 2.065 7.281 -11.314 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.752 5.539 -11.470 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.129 4.978 -13.009 1.00 0.00 H new ATOM 0 HG2 MET A 90 3.814 7.841 -13.105 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.190 6.868 -12.626 1.00 0.00 H new ATOM 0 HE1 MET A 90 5.844 4.522 -15.548 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.508 5.350 -14.119 1.00 0.00 H new ATOM 0 HE3 MET A 90 5.152 4.210 -13.939 1.00 0.00 H new ATOM 1397 N ILE A 91 0.701 6.471 -14.163 1.00 0.00 N ATOM 1398 CA ILE A 91 0.145 7.002 -15.396 1.00 0.00 C ATOM 1399 C ILE A 91 -1.194 7.679 -15.096 1.00 0.00 C ATOM 1400 O ILE A 91 -1.456 8.782 -15.573 1.00 0.00 O ATOM 1401 CB ILE A 91 0.055 5.906 -16.459 1.00 0.00 C ATOM 1402 CG1 ILE A 91 1.444 5.375 -16.819 1.00 0.00 C ATOM 1403 CG2 ILE A 91 -0.707 6.398 -17.692 1.00 0.00 C ATOM 1404 CD1 ILE A 91 1.347 4.027 -17.537 1.00 0.00 C ATOM 0 H ILE A 91 0.486 5.490 -13.986 1.00 0.00 H new ATOM 0 HA ILE A 91 0.803 7.765 -15.813 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.510 5.073 -16.042 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.958 6.094 -17.456 1.00 0.00 H new ATOM 0 HG13 ILE A 91 2.042 5.267 -15.914 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.756 5.599 -18.432 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.717 6.688 -17.404 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.191 7.257 -18.120 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.348 3.672 -17.782 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.854 3.304 -16.888 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.769 4.144 -18.454 1.00 0.00 H new ATOM 1416 N LEU A 92 -2.005 6.991 -14.307 1.00 0.00 N ATOM 1417 CA LEU A 92 -3.310 7.512 -13.938 1.00 0.00 C ATOM 1418 C LEU A 92 -3.144 8.902 -13.321 1.00 0.00 C ATOM 1419 O LEU A 92 -4.094 9.681 -13.271 1.00 0.00 O ATOM 1420 CB LEU A 92 -4.047 6.522 -13.033 1.00 0.00 C ATOM 1421 CG LEU A 92 -5.028 7.132 -12.030 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -6.094 6.115 -11.619 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -4.289 7.708 -10.821 1.00 0.00 C ATOM 0 H LEU A 92 -1.784 6.077 -13.913 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.937 7.628 -14.822 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.593 5.820 -13.664 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.306 5.944 -12.481 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.543 7.960 -12.516 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.779 6.574 -10.906 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.650 5.794 -12.500 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.615 5.252 -11.158 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.010 8.135 -10.124 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.730 6.915 -10.324 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.600 8.485 -11.152 1.00 0.00 H new ATOM 1435 N ARG A 93 -1.928 9.171 -12.865 1.00 0.00 N ATOM 1436 CA ARG A 93 -1.625 10.453 -12.253 1.00 0.00 C ATOM 1437 C ARG A 93 -0.916 11.365 -13.256 1.00 0.00 C ATOM 1438 O ARG A 93 -1.240 12.547 -13.364 1.00 0.00 O ATOM 1439 CB ARG A 93 -0.739 10.278 -11.018 1.00 0.00 C ATOM 1440 CG ARG A 93 -1.560 10.396 -9.733 1.00 0.00 C ATOM 1441 CD ARG A 93 -1.158 11.638 -8.937 1.00 0.00 C ATOM 1442 NE ARG A 93 -1.046 11.304 -7.499 1.00 0.00 N ATOM 1443 CZ ARG A 93 -2.095 11.093 -6.693 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -3.341 11.180 -7.178 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -1.898 10.795 -5.402 1.00 0.00 N ATOM 0 H ARG A 93 -1.142 8.522 -12.908 1.00 0.00 H new ATOM 0 HA ARG A 93 -2.568 10.906 -11.948 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.249 9.305 -11.053 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.048 11.032 -11.021 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.621 10.445 -9.978 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.415 9.505 -9.122 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.207 12.023 -9.304 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.897 12.426 -9.079 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.112 11.230 -7.097 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -3.491 11.407 -8.161 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.140 11.019 -6.564 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -0.949 10.729 -5.033 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.697 10.634 -4.788 1.00 0.00 H new ATOM 1459 N LEU A 94 0.040 10.782 -13.965 1.00 0.00 N ATOM 1460 CA LEU A 94 0.798 11.527 -14.956 1.00 0.00 C ATOM 1461 C LEU A 94 -0.163 12.109 -15.995 1.00 0.00 C ATOM 1462 O LEU A 94 0.191 13.036 -16.723 1.00 0.00 O ATOM 1463 CB LEU A 94 1.899 10.652 -15.558 1.00 0.00 C ATOM 1464 CG LEU A 94 2.880 11.359 -16.495 1.00 0.00 C ATOM 1465 CD1 LEU A 94 4.261 10.703 -16.439 1.00 0.00 C ATOM 1466 CD2 LEU A 94 2.331 11.418 -17.922 1.00 0.00 C ATOM 0 H LEU A 94 0.307 9.802 -13.873 1.00 0.00 H new ATOM 0 HA LEU A 94 1.311 12.368 -14.490 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.466 10.203 -14.742 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.428 9.836 -16.106 1.00 0.00 H new ATOM 0 HG LEU A 94 2.998 12.387 -16.153 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.939 11.225 -17.114 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.649 10.757 -15.422 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.180 9.659 -16.741 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.048 11.926 -18.567 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.165 10.406 -18.290 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.388 11.965 -17.927 1.00 0.00 H new ATOM 1478 N VAL A 95 -1.360 11.542 -16.031 1.00 0.00 N ATOM 1479 CA VAL A 95 -2.374 11.992 -16.969 1.00 0.00 C ATOM 1480 C VAL A 95 -2.806 13.413 -16.602 1.00 0.00 C ATOM 1481 O VAL A 95 -2.662 14.336 -17.403 1.00 0.00 O ATOM 1482 CB VAL A 95 -3.539 11.001 -16.995 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -4.838 11.694 -17.412 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -3.230 9.816 -17.913 1.00 0.00 C ATOM 0 H VAL A 95 -1.650 10.774 -15.425 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.971 12.026 -17.981 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.674 10.615 -15.985 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.651 10.968 -17.423 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.070 12.488 -16.703 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.719 12.120 -18.408 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.074 9.126 -17.914 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.055 10.177 -18.927 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.340 9.300 -17.553 1.00 0.00 H new ATOM 1494 N LEU A 96 -3.326 13.545 -15.391 1.00 0.00 N ATOM 1495 CA LEU A 96 -3.780 14.839 -14.908 1.00 0.00 C ATOM 1496 C LEU A 96 -2.568 15.689 -14.524 1.00 0.00 C ATOM 1497 O LEU A 96 -2.533 16.887 -14.799 1.00 0.00 O ATOM 1498 CB LEU A 96 -4.792 14.662 -13.774 1.00 0.00 C ATOM 1499 CG LEU A 96 -4.243 14.082 -12.469 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -4.781 14.849 -11.259 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -4.530 12.583 -12.372 1.00 0.00 C ATOM 0 H LEU A 96 -3.443 12.778 -14.729 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.309 15.376 -15.695 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.238 15.633 -13.558 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -5.594 14.014 -14.127 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.160 14.202 -12.470 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.375 14.417 -10.344 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.483 15.895 -11.329 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.869 14.783 -11.240 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.129 12.196 -11.435 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.607 12.416 -12.403 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.059 12.067 -13.209 1.00 0.00 H new