USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=10 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 85:sc= 0.887 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 162:sc= -0.0456 USER MOD Single : A 59 THR OG1 : rot 84:sc= 1.21 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 174:sc= 0 (180deg=-0.0305) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 139:sc= -4.3! (180deg=-9.91!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 102 N TYR A 8 6.413 -1.796 -26.590 1.00 0.00 N ATOM 103 CA TYR A 8 5.949 -2.707 -25.558 1.00 0.00 C ATOM 104 C TYR A 8 5.046 -1.986 -24.555 1.00 0.00 C ATOM 105 O TYR A 8 3.975 -2.482 -24.209 1.00 0.00 O ATOM 106 CB TYR A 8 7.203 -3.200 -24.835 1.00 0.00 C ATOM 107 CG TYR A 8 7.011 -4.519 -24.084 1.00 0.00 C ATOM 108 CD1 TYR A 8 7.117 -5.718 -24.759 1.00 0.00 C ATOM 109 CD2 TYR A 8 6.732 -4.510 -22.732 1.00 0.00 C ATOM 110 CE1 TYR A 8 6.936 -6.960 -24.052 1.00 0.00 C ATOM 111 CE2 TYR A 8 6.551 -5.751 -22.026 1.00 0.00 C ATOM 112 CZ TYR A 8 6.662 -6.915 -22.721 1.00 0.00 C ATOM 113 OH TYR A 8 6.492 -8.088 -22.053 1.00 0.00 O ATOM 0 HA TYR A 8 5.372 -3.521 -25.997 1.00 0.00 H new ATOM 0 HB2 TYR A 8 8.005 -3.322 -25.563 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.527 -2.436 -24.129 1.00 0.00 H new ATOM 0 HD1 TYR A 8 7.336 -5.725 -25.817 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.650 -3.571 -22.204 1.00 0.00 H new ATOM 0 HE1 TYR A 8 7.016 -7.906 -24.568 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.332 -5.758 -20.968 1.00 0.00 H new ATOM 0 HH TYR A 8 6.303 -7.903 -21.109 1.00 0.00 H new ATOM 123 N ALA A 9 5.512 -0.825 -24.117 1.00 0.00 N ATOM 124 CA ALA A 9 4.760 -0.031 -23.160 1.00 0.00 C ATOM 125 C ALA A 9 3.538 0.574 -23.855 1.00 0.00 C ATOM 126 O ALA A 9 2.499 0.775 -23.227 1.00 0.00 O ATOM 127 CB ALA A 9 5.673 1.036 -22.553 1.00 0.00 C ATOM 0 H ALA A 9 6.400 -0.416 -24.407 1.00 0.00 H new ATOM 0 HA ALA A 9 4.399 -0.655 -22.342 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.109 1.632 -21.835 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.510 0.554 -22.047 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.052 1.684 -23.344 1.00 0.00 H new ATOM 133 N ALA A 10 3.703 0.847 -25.141 1.00 0.00 N ATOM 134 CA ALA A 10 2.627 1.425 -25.927 1.00 0.00 C ATOM 135 C ALA A 10 1.462 0.435 -25.994 1.00 0.00 C ATOM 136 O ALA A 10 0.361 0.735 -25.532 1.00 0.00 O ATOM 137 CB ALA A 10 3.152 1.801 -27.314 1.00 0.00 C ATOM 0 H ALA A 10 4.566 0.678 -25.658 1.00 0.00 H new ATOM 0 HA ALA A 10 2.258 2.338 -25.459 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.344 2.235 -27.904 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.958 2.528 -27.213 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.528 0.909 -27.815 1.00 0.00 H new ATOM 143 N LEU A 11 1.744 -0.723 -26.571 1.00 0.00 N ATOM 144 CA LEU A 11 0.733 -1.759 -26.704 1.00 0.00 C ATOM 145 C LEU A 11 0.174 -2.100 -25.321 1.00 0.00 C ATOM 146 O LEU A 11 -1.035 -2.260 -25.159 1.00 0.00 O ATOM 147 CB LEU A 11 1.298 -2.967 -27.453 1.00 0.00 C ATOM 148 CG LEU A 11 2.162 -3.924 -26.628 1.00 0.00 C ATOM 149 CD1 LEU A 11 1.299 -4.973 -25.926 1.00 0.00 C ATOM 150 CD2 LEU A 11 3.251 -4.562 -27.493 1.00 0.00 C ATOM 0 H LEU A 11 2.658 -0.968 -26.952 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.101 -1.401 -27.307 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.465 -3.531 -27.873 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.892 -2.604 -28.292 1.00 0.00 H new ATOM 0 HG LEU A 11 2.665 -3.348 -25.851 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.937 -5.640 -25.347 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.593 -4.477 -25.260 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.751 -5.551 -26.670 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.851 -5.237 -26.883 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.789 -5.121 -28.306 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.890 -3.782 -27.907 1.00 0.00 H new ATOM 162 N VAL A 12 1.080 -2.200 -24.360 1.00 0.00 N ATOM 163 CA VAL A 12 0.692 -2.519 -22.996 1.00 0.00 C ATOM 164 C VAL A 12 -0.400 -1.549 -22.541 1.00 0.00 C ATOM 165 O VAL A 12 -1.455 -1.972 -22.073 1.00 0.00 O ATOM 166 CB VAL A 12 1.922 -2.506 -22.086 1.00 0.00 C ATOM 167 CG1 VAL A 12 1.522 -2.267 -20.628 1.00 0.00 C ATOM 168 CG2 VAL A 12 2.724 -3.800 -22.229 1.00 0.00 C ATOM 0 H VAL A 12 2.082 -2.066 -24.498 1.00 0.00 H new ATOM 0 HA VAL A 12 0.275 -3.525 -22.942 1.00 0.00 H new ATOM 0 HB VAL A 12 2.561 -1.680 -22.398 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.414 -2.262 -20.002 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.014 -1.306 -20.543 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.852 -3.062 -20.299 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.593 -3.764 -21.571 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.097 -4.649 -21.956 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.055 -3.911 -23.262 1.00 0.00 H new ATOM 178 N THR A 13 -0.108 -0.266 -22.694 1.00 0.00 N ATOM 179 CA THR A 13 -1.052 0.768 -22.304 1.00 0.00 C ATOM 180 C THR A 13 -2.349 0.635 -23.104 1.00 0.00 C ATOM 181 O THR A 13 -3.430 0.923 -22.593 1.00 0.00 O ATOM 182 CB THR A 13 -0.366 2.124 -22.480 1.00 0.00 C ATOM 183 OG1 THR A 13 0.698 2.101 -21.532 1.00 0.00 O ATOM 184 CG2 THR A 13 -1.247 3.289 -22.022 1.00 0.00 C ATOM 0 H THR A 13 0.769 0.081 -23.083 1.00 0.00 H new ATOM 0 HA THR A 13 -1.341 0.666 -21.258 1.00 0.00 H new ATOM 0 HB THR A 13 -0.097 2.261 -23.527 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.478 1.657 -21.926 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.713 4.228 -22.168 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.168 3.300 -22.605 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.488 3.169 -20.966 1.00 0.00 H new ATOM 192 N PHE A 14 -2.198 0.198 -24.346 1.00 0.00 N ATOM 193 CA PHE A 14 -3.345 0.024 -25.222 1.00 0.00 C ATOM 194 C PHE A 14 -4.289 -1.052 -24.681 1.00 0.00 C ATOM 195 O PHE A 14 -5.473 -0.795 -24.471 1.00 0.00 O ATOM 196 CB PHE A 14 -2.805 -0.425 -26.581 1.00 0.00 C ATOM 197 CG PHE A 14 -3.726 -0.093 -27.757 1.00 0.00 C ATOM 198 CD1 PHE A 14 -5.032 -0.472 -27.725 1.00 0.00 C ATOM 199 CD2 PHE A 14 -3.239 0.580 -28.834 1.00 0.00 C ATOM 200 CE1 PHE A 14 -5.887 -0.164 -28.817 1.00 0.00 C ATOM 201 CE2 PHE A 14 -4.094 0.887 -29.925 1.00 0.00 C ATOM 202 CZ PHE A 14 -5.400 0.509 -29.893 1.00 0.00 C ATOM 0 H PHE A 14 -1.300 -0.041 -24.766 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.904 0.957 -25.294 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.836 0.044 -26.748 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -2.638 -1.502 -26.556 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -5.419 -1.007 -26.870 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.202 0.881 -28.859 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.924 -0.465 -28.792 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.707 1.421 -30.780 1.00 0.00 H new ATOM 0 HZ PHE A 14 -6.050 0.744 -30.723 1.00 0.00 H new ATOM 212 N GLY A 15 -3.729 -2.234 -24.471 1.00 0.00 N ATOM 213 CA GLY A 15 -4.506 -3.350 -23.959 1.00 0.00 C ATOM 214 C GLY A 15 -5.012 -3.062 -22.544 1.00 0.00 C ATOM 215 O GLY A 15 -6.033 -3.604 -22.124 1.00 0.00 O ATOM 0 H GLY A 15 -2.746 -2.443 -24.646 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.352 -3.542 -24.619 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.894 -4.252 -23.954 1.00 0.00 H new ATOM 219 N SER A 16 -4.274 -2.210 -21.848 1.00 0.00 N ATOM 220 CA SER A 16 -4.635 -1.844 -20.489 1.00 0.00 C ATOM 221 C SER A 16 -5.888 -0.966 -20.499 1.00 0.00 C ATOM 222 O SER A 16 -6.824 -1.205 -19.738 1.00 0.00 O ATOM 223 CB SER A 16 -3.484 -1.118 -19.790 1.00 0.00 C ATOM 224 OG SER A 16 -3.067 -1.792 -18.607 1.00 0.00 O ATOM 0 H SER A 16 -3.428 -1.762 -22.200 1.00 0.00 H new ATOM 0 HA SER A 16 -4.844 -2.758 -19.933 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.640 -1.033 -20.475 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.795 -0.104 -19.539 1.00 0.00 H new ATOM 0 HG SER A 16 -2.330 -1.298 -18.192 1.00 0.00 H new ATOM 230 N ILE A 17 -5.866 0.032 -21.371 1.00 0.00 N ATOM 231 CA ILE A 17 -6.988 0.947 -21.490 1.00 0.00 C ATOM 232 C ILE A 17 -8.223 0.174 -21.958 1.00 0.00 C ATOM 233 O ILE A 17 -9.316 0.362 -21.427 1.00 0.00 O ATOM 234 CB ILE A 17 -6.624 2.128 -22.391 1.00 0.00 C ATOM 235 CG1 ILE A 17 -5.508 2.969 -21.768 1.00 0.00 C ATOM 236 CG2 ILE A 17 -7.859 2.968 -22.721 1.00 0.00 C ATOM 237 CD1 ILE A 17 -4.942 3.967 -22.781 1.00 0.00 C ATOM 0 H ILE A 17 -5.088 0.227 -22.002 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.231 1.380 -20.520 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.243 1.734 -23.333 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.893 3.505 -20.900 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.711 2.316 -21.412 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.572 3.801 -23.363 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.593 2.349 -23.237 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.294 3.354 -21.799 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.151 4.552 -22.312 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.536 3.427 -23.636 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.736 4.634 -23.117 1.00 0.00 H new ATOM 249 N PHE A 18 -8.006 -0.680 -22.948 1.00 0.00 N ATOM 250 CA PHE A 18 -9.088 -1.483 -23.494 1.00 0.00 C ATOM 251 C PHE A 18 -9.718 -2.363 -22.413 1.00 0.00 C ATOM 252 O PHE A 18 -10.940 -2.454 -22.316 1.00 0.00 O ATOM 253 CB PHE A 18 -8.478 -2.379 -24.574 1.00 0.00 C ATOM 254 CG PHE A 18 -9.394 -2.615 -25.777 1.00 0.00 C ATOM 255 CD1 PHE A 18 -10.667 -3.055 -25.586 1.00 0.00 C ATOM 256 CD2 PHE A 18 -8.936 -2.386 -27.036 1.00 0.00 C ATOM 257 CE1 PHE A 18 -11.517 -3.274 -26.702 1.00 0.00 C ATOM 258 CE2 PHE A 18 -9.786 -2.605 -28.152 1.00 0.00 C ATOM 259 CZ PHE A 18 -11.059 -3.045 -27.962 1.00 0.00 C ATOM 0 H PHE A 18 -7.098 -0.833 -23.386 1.00 0.00 H new ATOM 0 HA PHE A 18 -9.867 -0.835 -23.895 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -7.548 -1.930 -24.921 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -8.222 -3.341 -24.131 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -11.031 -3.238 -24.586 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.925 -2.037 -27.188 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -12.528 -3.623 -26.550 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.422 -2.422 -29.152 1.00 0.00 H new ATOM 0 HZ PHE A 18 -11.705 -3.212 -28.811 1.00 0.00 H new ATOM 441 N ILE A 30 -6.871 -6.815 -8.371 1.00 0.00 N ATOM 442 CA ILE A 30 -7.308 -6.251 -7.105 1.00 0.00 C ATOM 443 C ILE A 30 -6.129 -5.545 -6.432 1.00 0.00 C ATOM 444 O ILE A 30 -6.287 -4.462 -5.871 1.00 0.00 O ATOM 445 CB ILE A 30 -7.958 -7.328 -6.234 1.00 0.00 C ATOM 446 CG1 ILE A 30 -8.123 -6.842 -4.793 1.00 0.00 C ATOM 447 CG2 ILE A 30 -7.176 -8.641 -6.310 1.00 0.00 C ATOM 448 CD1 ILE A 30 -8.937 -5.548 -4.740 1.00 0.00 C ATOM 0 HA ILE A 30 -8.079 -5.499 -7.270 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.957 -7.525 -6.624 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.618 -7.611 -4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.142 -6.677 -4.347 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.659 -9.389 -5.682 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.154 -8.992 -7.342 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.156 -8.478 -5.961 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.039 -5.225 -3.704 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.427 -4.774 -5.313 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.926 -5.722 -5.165 1.00 0.00 H new ATOM 460 N ALA A 31 -4.973 -6.188 -6.510 1.00 0.00 N ATOM 461 CA ALA A 31 -3.767 -5.636 -5.915 1.00 0.00 C ATOM 462 C ALA A 31 -3.524 -4.234 -6.476 1.00 0.00 C ATOM 463 O ALA A 31 -3.379 -3.275 -5.719 1.00 0.00 O ATOM 464 CB ALA A 31 -2.592 -6.580 -6.174 1.00 0.00 C ATOM 0 H ALA A 31 -4.846 -7.086 -6.976 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.878 -5.544 -4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.688 -6.166 -5.728 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.803 -7.553 -5.731 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.447 -6.694 -7.248 1.00 0.00 H new ATOM 470 N GLY A 32 -3.486 -4.158 -7.798 1.00 0.00 N ATOM 471 CA GLY A 32 -3.262 -2.889 -8.469 1.00 0.00 C ATOM 472 C GLY A 32 -4.288 -1.845 -8.024 1.00 0.00 C ATOM 473 O GLY A 32 -3.922 -0.797 -7.494 1.00 0.00 O ATOM 0 H GLY A 32 -3.607 -4.955 -8.423 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.256 -2.531 -8.251 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.324 -3.028 -9.548 1.00 0.00 H new ATOM 477 N LEU A 33 -5.552 -2.168 -8.254 1.00 0.00 N ATOM 478 CA LEU A 33 -6.633 -1.271 -7.883 1.00 0.00 C ATOM 479 C LEU A 33 -6.400 -0.759 -6.461 1.00 0.00 C ATOM 480 O LEU A 33 -6.553 0.432 -6.193 1.00 0.00 O ATOM 481 CB LEU A 33 -7.988 -1.956 -8.076 1.00 0.00 C ATOM 482 CG LEU A 33 -9.194 -1.241 -7.464 1.00 0.00 C ATOM 483 CD1 LEU A 33 -10.212 -0.864 -8.542 1.00 0.00 C ATOM 484 CD2 LEU A 33 -9.823 -2.081 -6.351 1.00 0.00 C ATOM 0 H LEU A 33 -5.852 -3.039 -8.693 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.646 -0.400 -8.538 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.164 -2.073 -9.145 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.930 -2.958 -7.651 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.847 -0.313 -7.010 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.060 -0.357 -8.081 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.744 -0.200 -9.268 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.559 -1.766 -9.046 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.678 -1.550 -5.933 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.153 -3.036 -6.759 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.086 -2.256 -5.567 1.00 0.00 H new ATOM 496 N PHE A 34 -6.033 -1.684 -5.586 1.00 0.00 N ATOM 497 CA PHE A 34 -5.777 -1.341 -4.197 1.00 0.00 C ATOM 498 C PHE A 34 -4.717 -0.242 -4.091 1.00 0.00 C ATOM 499 O PHE A 34 -4.964 0.808 -3.498 1.00 0.00 O ATOM 500 CB PHE A 34 -5.253 -2.605 -3.513 1.00 0.00 C ATOM 501 CG PHE A 34 -5.549 -2.669 -2.014 1.00 0.00 C ATOM 502 CD1 PHE A 34 -6.836 -2.707 -1.575 1.00 0.00 C ATOM 503 CD2 PHE A 34 -4.525 -2.688 -1.119 1.00 0.00 C ATOM 504 CE1 PHE A 34 -7.111 -2.767 -0.183 1.00 0.00 C ATOM 505 CE2 PHE A 34 -4.800 -2.748 0.273 1.00 0.00 C ATOM 506 CZ PHE A 34 -6.087 -2.786 0.712 1.00 0.00 C ATOM 0 H PHE A 34 -5.907 -2.671 -5.812 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.691 -0.975 -3.730 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.693 -3.477 -3.997 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.175 -2.667 -3.663 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.649 -2.692 -2.286 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.503 -2.657 -1.467 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -8.133 -2.798 0.165 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.987 -2.763 0.984 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.296 -2.831 1.771 1.00 0.00 H new ATOM 516 N VAL A 35 -3.561 -0.521 -4.674 1.00 0.00 N ATOM 517 CA VAL A 35 -2.463 0.431 -4.651 1.00 0.00 C ATOM 518 C VAL A 35 -2.981 1.810 -5.065 1.00 0.00 C ATOM 519 O VAL A 35 -2.593 2.823 -4.484 1.00 0.00 O ATOM 520 CB VAL A 35 -1.319 -0.068 -5.536 1.00 0.00 C ATOM 521 CG1 VAL A 35 -0.436 1.092 -5.998 1.00 0.00 C ATOM 522 CG2 VAL A 35 -0.492 -1.134 -4.814 1.00 0.00 C ATOM 0 H VAL A 35 -3.360 -1.392 -5.165 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.059 0.524 -3.643 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.757 -0.527 -6.422 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.369 0.709 -6.625 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.036 1.801 -6.569 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.011 1.594 -5.129 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.314 -1.472 -5.465 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.070 -0.711 -3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.131 -1.980 -4.559 1.00 0.00 H new ATOM 532 N GLY A 36 -3.848 1.805 -6.067 1.00 0.00 N ATOM 533 CA GLY A 36 -4.423 3.043 -6.565 1.00 0.00 C ATOM 534 C GLY A 36 -5.380 3.655 -5.540 1.00 0.00 C ATOM 535 O GLY A 36 -5.465 4.875 -5.416 1.00 0.00 O ATOM 0 H GLY A 36 -4.166 0.963 -6.547 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.627 3.752 -6.793 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.956 2.852 -7.496 1.00 0.00 H new ATOM 539 N CYS A 37 -6.077 2.778 -4.832 1.00 0.00 N ATOM 540 CA CYS A 37 -7.026 3.217 -3.822 1.00 0.00 C ATOM 541 C CYS A 37 -6.266 4.029 -2.771 1.00 0.00 C ATOM 542 O CYS A 37 -6.645 5.158 -2.462 1.00 0.00 O ATOM 543 CB CYS A 37 -7.775 2.037 -3.200 1.00 0.00 C ATOM 544 SG CYS A 37 -9.569 2.393 -3.147 1.00 0.00 S ATOM 0 H CYS A 37 -6.004 1.766 -4.938 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.789 3.844 -4.283 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.592 1.133 -3.781 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.403 1.850 -2.193 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.196 1.384 -2.619 1.00 0.00 H new ATOM 550 N LEU A 38 -5.209 3.423 -2.252 1.00 0.00 N ATOM 551 CA LEU A 38 -4.393 4.076 -1.242 1.00 0.00 C ATOM 552 C LEU A 38 -3.707 5.297 -1.858 1.00 0.00 C ATOM 553 O LEU A 38 -3.444 6.280 -1.167 1.00 0.00 O ATOM 554 CB LEU A 38 -3.421 3.078 -0.611 1.00 0.00 C ATOM 555 CG LEU A 38 -2.068 2.926 -1.309 1.00 0.00 C ATOM 556 CD1 LEU A 38 -1.064 3.957 -0.789 1.00 0.00 C ATOM 557 CD2 LEU A 38 -1.540 1.496 -1.178 1.00 0.00 C ATOM 0 H LEU A 38 -4.898 2.487 -2.512 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.016 4.439 -0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.243 3.378 0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.903 2.101 -0.580 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.209 3.121 -2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.111 3.827 -1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.443 4.961 -0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.922 3.818 0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.577 1.416 -1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.418 1.248 -0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.248 0.804 -1.634 1.00 0.00 H new ATOM 569 N ALA A 39 -3.438 5.195 -3.151 1.00 0.00 N ATOM 570 CA ALA A 39 -2.787 6.279 -3.868 1.00 0.00 C ATOM 571 C ALA A 39 -3.615 7.556 -3.713 1.00 0.00 C ATOM 572 O ALA A 39 -3.089 8.598 -3.324 1.00 0.00 O ATOM 573 CB ALA A 39 -2.598 5.881 -5.333 1.00 0.00 C ATOM 0 H ALA A 39 -3.659 4.379 -3.721 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.798 6.475 -3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.110 6.694 -5.871 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.979 4.985 -5.390 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.570 5.680 -5.784 1.00 0.00 H new ATOM 579 N GLY A 40 -4.897 7.434 -4.025 1.00 0.00 N ATOM 580 CA GLY A 40 -5.803 8.565 -3.925 1.00 0.00 C ATOM 581 C GLY A 40 -6.191 8.830 -2.468 1.00 0.00 C ATOM 582 O GLY A 40 -5.804 9.847 -1.894 1.00 0.00 O ATOM 0 H GLY A 40 -5.330 6.568 -4.347 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.331 9.452 -4.346 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.699 8.371 -4.514 1.00 0.00 H new ATOM 768 N ASP A 52 4.940 10.704 -6.472 1.00 0.00 N ATOM 769 CA ASP A 52 5.259 10.709 -7.889 1.00 0.00 C ATOM 770 C ASP A 52 6.218 9.557 -8.196 1.00 0.00 C ATOM 771 O ASP A 52 7.434 9.747 -8.219 1.00 0.00 O ATOM 772 CB ASP A 52 5.942 12.015 -8.296 1.00 0.00 C ATOM 773 CG ASP A 52 6.513 12.032 -9.716 1.00 0.00 C ATOM 774 OD1 ASP A 52 6.455 11.026 -10.439 1.00 0.00 O ATOM 775 OD2 ASP A 52 7.041 13.152 -10.078 1.00 0.00 O ATOM 0 HA ASP A 52 4.327 10.602 -8.444 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.223 12.829 -8.200 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.750 12.219 -7.593 1.00 0.00 H new ATOM 780 N VAL A 53 5.637 8.389 -8.423 1.00 0.00 N ATOM 781 CA VAL A 53 6.425 7.207 -8.727 1.00 0.00 C ATOM 782 C VAL A 53 7.044 6.666 -7.437 1.00 0.00 C ATOM 783 O VAL A 53 6.913 5.482 -7.130 1.00 0.00 O ATOM 784 CB VAL A 53 7.467 7.534 -9.798 1.00 0.00 C ATOM 785 CG1 VAL A 53 8.884 7.471 -9.223 1.00 0.00 C ATOM 786 CG2 VAL A 53 7.324 6.605 -11.005 1.00 0.00 C ATOM 0 H VAL A 53 4.629 8.235 -8.403 1.00 0.00 H new ATOM 0 HA VAL A 53 5.791 6.421 -9.138 1.00 0.00 H new ATOM 0 HB VAL A 53 7.288 8.554 -10.137 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.605 7.708 -10.005 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.980 8.192 -8.411 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.078 6.468 -8.842 1.00 0.00 H new ATOM 0 HG21 VAL A 53 8.077 6.859 -11.751 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.463 5.572 -10.687 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.330 6.721 -11.438 1.00 0.00 H new ATOM 796 N LYS A 54 7.705 7.559 -6.715 1.00 0.00 N ATOM 797 CA LYS A 54 8.344 7.186 -5.465 1.00 0.00 C ATOM 798 C LYS A 54 7.406 6.276 -4.669 1.00 0.00 C ATOM 799 O LYS A 54 7.841 5.274 -4.103 1.00 0.00 O ATOM 800 CB LYS A 54 8.788 8.433 -4.697 1.00 0.00 C ATOM 801 CG LYS A 54 10.293 8.663 -4.849 1.00 0.00 C ATOM 802 CD LYS A 54 10.593 10.123 -5.198 1.00 0.00 C ATOM 803 CE LYS A 54 12.028 10.282 -5.704 1.00 0.00 C ATOM 804 NZ LYS A 54 12.044 10.431 -7.176 1.00 0.00 N ATOM 0 H LYS A 54 7.812 8.540 -6.972 1.00 0.00 H new ATOM 0 HA LYS A 54 9.254 6.617 -5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.244 9.303 -5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.538 8.323 -3.642 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.801 8.395 -3.922 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.687 8.011 -5.628 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.895 10.469 -5.960 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.442 10.749 -4.319 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.489 11.153 -5.239 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.621 9.414 -5.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.025 10.538 -7.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.622 9.588 -7.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.495 11.272 -7.446 1.00 0.00 H new ATOM 818 N VAL A 55 6.137 6.657 -4.652 1.00 0.00 N ATOM 819 CA VAL A 55 5.135 5.888 -3.935 1.00 0.00 C ATOM 820 C VAL A 55 4.764 4.651 -4.756 1.00 0.00 C ATOM 821 O VAL A 55 4.507 3.586 -4.198 1.00 0.00 O ATOM 822 CB VAL A 55 3.930 6.773 -3.610 1.00 0.00 C ATOM 823 CG1 VAL A 55 2.890 6.716 -4.730 1.00 0.00 C ATOM 824 CG2 VAL A 55 3.310 6.384 -2.266 1.00 0.00 C ATOM 0 H VAL A 55 5.780 7.488 -5.123 1.00 0.00 H new ATOM 0 HA VAL A 55 5.532 5.539 -2.982 1.00 0.00 H new ATOM 0 HB VAL A 55 4.282 7.802 -3.531 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.044 7.354 -4.474 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.338 7.064 -5.661 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.546 5.689 -4.855 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.456 7.029 -2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.980 5.346 -2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.052 6.500 -1.476 1.00 0.00 H new ATOM 834 N SER A 56 4.748 4.834 -6.068 1.00 0.00 N ATOM 835 CA SER A 56 4.413 3.747 -6.971 1.00 0.00 C ATOM 836 C SER A 56 5.317 2.543 -6.698 1.00 0.00 C ATOM 837 O SER A 56 4.832 1.428 -6.511 1.00 0.00 O ATOM 838 CB SER A 56 4.539 4.185 -8.432 1.00 0.00 C ATOM 839 OG SER A 56 3.682 3.437 -9.289 1.00 0.00 O ATOM 0 H SER A 56 4.962 5.719 -6.527 1.00 0.00 H new ATOM 0 HA SER A 56 3.376 3.463 -6.794 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.299 5.245 -8.515 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.572 4.066 -8.758 1.00 0.00 H new ATOM 0 HG SER A 56 3.566 3.917 -10.135 1.00 0.00 H new ATOM 845 N LEU A 57 6.615 2.809 -6.684 1.00 0.00 N ATOM 846 CA LEU A 57 7.591 1.761 -6.438 1.00 0.00 C ATOM 847 C LEU A 57 7.518 1.337 -4.969 1.00 0.00 C ATOM 848 O LEU A 57 7.287 0.168 -4.668 1.00 0.00 O ATOM 849 CB LEU A 57 8.985 2.212 -6.879 1.00 0.00 C ATOM 850 CG LEU A 57 9.774 1.216 -7.731 1.00 0.00 C ATOM 851 CD1 LEU A 57 10.111 -0.044 -6.931 1.00 0.00 C ATOM 852 CD2 LEU A 57 9.027 0.890 -9.026 1.00 0.00 C ATOM 0 H LEU A 57 7.013 3.735 -6.839 1.00 0.00 H new ATOM 0 HA LEU A 57 7.362 0.880 -7.037 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.884 3.140 -7.441 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.570 2.441 -5.988 1.00 0.00 H new ATOM 0 HG LEU A 57 10.719 1.681 -8.012 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.672 -0.735 -7.560 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.712 0.226 -6.063 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.189 -0.522 -6.599 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.609 0.180 -9.613 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.057 0.454 -8.787 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.881 1.804 -9.602 1.00 0.00 H new ATOM 864 N PHE A 58 7.720 2.312 -4.095 1.00 0.00 N ATOM 865 CA PHE A 58 7.680 2.055 -2.665 1.00 0.00 C ATOM 866 C PHE A 58 6.499 1.152 -2.303 1.00 0.00 C ATOM 867 O PHE A 58 6.612 0.298 -1.425 1.00 0.00 O ATOM 868 CB PHE A 58 7.503 3.408 -1.972 1.00 0.00 C ATOM 869 CG PHE A 58 8.816 4.147 -1.706 1.00 0.00 C ATOM 870 CD1 PHE A 58 9.804 4.135 -2.640 1.00 0.00 C ATOM 871 CD2 PHE A 58 8.994 4.817 -0.536 1.00 0.00 C ATOM 872 CE1 PHE A 58 11.023 4.821 -2.394 1.00 0.00 C ATOM 873 CE2 PHE A 58 10.213 5.503 -0.290 1.00 0.00 C ATOM 874 CZ PHE A 58 11.201 5.491 -1.223 1.00 0.00 C ATOM 0 H PHE A 58 7.912 3.281 -4.349 1.00 0.00 H new ATOM 0 HA PHE A 58 8.596 1.554 -2.351 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.861 4.039 -2.587 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.986 3.255 -1.025 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.662 3.604 -3.569 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.209 4.827 0.206 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.808 4.811 -3.136 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.355 6.035 0.639 1.00 0.00 H new ATOM 0 HZ PHE A 58 12.127 6.013 -1.035 1.00 0.00 H new ATOM 884 N THR A 59 5.393 1.371 -2.999 1.00 0.00 N ATOM 885 CA THR A 59 4.192 0.587 -2.762 1.00 0.00 C ATOM 886 C THR A 59 4.343 -0.813 -3.359 1.00 0.00 C ATOM 887 O THR A 59 4.246 -1.810 -2.646 1.00 0.00 O ATOM 888 CB THR A 59 3.001 1.364 -3.326 1.00 0.00 C ATOM 889 OG1 THR A 59 2.954 2.550 -2.537 1.00 0.00 O ATOM 890 CG2 THR A 59 1.665 0.675 -3.043 1.00 0.00 C ATOM 0 H THR A 59 5.303 2.080 -3.727 1.00 0.00 H new ATOM 0 HA THR A 59 4.023 0.435 -1.696 1.00 0.00 H new ATOM 0 HB THR A 59 3.125 1.487 -4.402 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.579 3.211 -2.902 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.853 1.268 -3.465 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.664 -0.316 -3.496 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.525 0.582 -1.966 1.00 0.00 H new ATOM 898 N ALA A 60 4.577 -0.843 -4.663 1.00 0.00 N ATOM 899 CA ALA A 60 4.742 -2.105 -5.365 1.00 0.00 C ATOM 900 C ALA A 60 5.597 -3.048 -4.516 1.00 0.00 C ATOM 901 O ALA A 60 5.271 -4.225 -4.371 1.00 0.00 O ATOM 902 CB ALA A 60 5.353 -1.846 -6.744 1.00 0.00 C ATOM 0 H ALA A 60 4.656 -0.014 -5.252 1.00 0.00 H new ATOM 0 HA ALA A 60 3.777 -2.586 -5.521 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.477 -2.792 -7.271 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.693 -1.195 -7.318 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.325 -1.366 -6.627 1.00 0.00 H new ATOM 908 N PHE A 61 6.673 -2.495 -3.977 1.00 0.00 N ATOM 909 CA PHE A 61 7.577 -3.272 -3.146 1.00 0.00 C ATOM 910 C PHE A 61 6.932 -3.609 -1.800 1.00 0.00 C ATOM 911 O PHE A 61 7.031 -4.739 -1.325 1.00 0.00 O ATOM 912 CB PHE A 61 8.816 -2.407 -2.902 1.00 0.00 C ATOM 913 CG PHE A 61 10.121 -3.037 -3.393 1.00 0.00 C ATOM 914 CD1 PHE A 61 10.538 -4.226 -2.880 1.00 0.00 C ATOM 915 CD2 PHE A 61 10.864 -2.408 -4.343 1.00 0.00 C ATOM 916 CE1 PHE A 61 11.749 -4.810 -3.336 1.00 0.00 C ATOM 917 CE2 PHE A 61 12.075 -2.993 -4.799 1.00 0.00 C ATOM 918 CZ PHE A 61 12.492 -4.181 -4.286 1.00 0.00 C ATOM 0 H PHE A 61 6.939 -1.518 -4.099 1.00 0.00 H new ATOM 0 HA PHE A 61 7.826 -4.209 -3.644 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.679 -1.446 -3.398 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.901 -2.205 -1.834 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.948 -4.726 -2.126 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.533 -1.464 -4.750 1.00 0.00 H new ATOM 0 HE1 PHE A 61 12.080 -5.754 -2.929 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.665 -2.494 -5.554 1.00 0.00 H new ATOM 0 HZ PHE A 61 13.413 -4.625 -4.633 1.00 0.00 H new ATOM 928 N PHE A 62 6.285 -2.607 -1.223 1.00 0.00 N ATOM 929 CA PHE A 62 5.624 -2.782 0.059 1.00 0.00 C ATOM 930 C PHE A 62 4.553 -3.872 -0.021 1.00 0.00 C ATOM 931 O PHE A 62 4.670 -4.911 0.628 1.00 0.00 O ATOM 932 CB PHE A 62 4.954 -1.450 0.403 1.00 0.00 C ATOM 933 CG PHE A 62 4.321 -1.414 1.795 1.00 0.00 C ATOM 934 CD1 PHE A 62 5.084 -1.119 2.882 1.00 0.00 C ATOM 935 CD2 PHE A 62 2.995 -1.676 1.946 1.00 0.00 C ATOM 936 CE1 PHE A 62 4.496 -1.085 4.174 1.00 0.00 C ATOM 937 CE2 PHE A 62 2.407 -1.642 3.238 1.00 0.00 C ATOM 938 CZ PHE A 62 3.170 -1.347 4.325 1.00 0.00 C ATOM 0 H PHE A 62 6.204 -1.671 -1.620 1.00 0.00 H new ATOM 0 HA PHE A 62 6.351 -3.079 0.815 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.694 -0.653 0.331 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.185 -1.239 -0.340 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.137 -0.911 2.762 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.389 -1.910 1.083 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.102 -0.851 5.037 1.00 0.00 H new ATOM 0 HE2 PHE A 62 1.354 -1.850 3.358 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.723 -1.321 5.308 1.00 0.00 H new ATOM 948 N LEU A 63 3.535 -3.599 -0.823 1.00 0.00 N ATOM 949 CA LEU A 63 2.444 -4.543 -0.996 1.00 0.00 C ATOM 950 C LEU A 63 3.013 -5.902 -1.409 1.00 0.00 C ATOM 951 O LEU A 63 2.585 -6.938 -0.902 1.00 0.00 O ATOM 952 CB LEU A 63 1.406 -3.989 -1.973 1.00 0.00 C ATOM 953 CG LEU A 63 0.032 -3.667 -1.381 1.00 0.00 C ATOM 954 CD1 LEU A 63 -0.020 -2.228 -0.865 1.00 0.00 C ATOM 955 CD2 LEU A 63 -1.081 -3.954 -2.391 1.00 0.00 C ATOM 0 H LEU A 63 3.442 -2.737 -1.361 1.00 0.00 H new ATOM 0 HA LEU A 63 1.915 -4.691 -0.055 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.808 -3.081 -2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.272 -4.711 -2.778 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.133 -4.322 -0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.007 -2.026 -0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.734 -2.092 -0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.176 -1.539 -1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.047 -3.717 -1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.932 -3.342 -3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.058 -5.008 -2.668 1.00 0.00 H new ATOM 967 N ALA A 64 3.969 -5.854 -2.324 1.00 0.00 N ATOM 968 CA ALA A 64 4.601 -7.069 -2.811 1.00 0.00 C ATOM 969 C ALA A 64 5.098 -7.892 -1.620 1.00 0.00 C ATOM 970 O ALA A 64 4.726 -9.054 -1.466 1.00 0.00 O ATOM 971 CB ALA A 64 5.729 -6.705 -3.779 1.00 0.00 C ATOM 0 H ALA A 64 4.322 -4.993 -2.742 1.00 0.00 H new ATOM 0 HA ALA A 64 3.885 -7.681 -3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.203 -7.616 -4.144 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.320 -6.146 -4.621 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.469 -6.093 -3.262 1.00 0.00 H new ATOM 977 N THR A 65 5.931 -7.257 -0.809 1.00 0.00 N ATOM 978 CA THR A 65 6.483 -7.916 0.362 1.00 0.00 C ATOM 979 C THR A 65 5.358 -8.408 1.276 1.00 0.00 C ATOM 980 O THR A 65 5.243 -9.605 1.536 1.00 0.00 O ATOM 981 CB THR A 65 7.440 -6.939 1.048 1.00 0.00 C ATOM 982 OG1 THR A 65 8.652 -7.064 0.309 1.00 0.00 O ATOM 983 CG2 THR A 65 7.817 -7.384 2.462 1.00 0.00 C ATOM 0 H THR A 65 6.237 -6.293 -0.940 1.00 0.00 H new ATOM 0 HA THR A 65 7.048 -8.806 0.086 1.00 0.00 H new ATOM 0 HB THR A 65 6.982 -5.951 1.089 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.328 -6.463 0.686 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.497 -6.656 2.903 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.917 -7.456 3.073 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.306 -8.357 2.419 1.00 0.00 H new ATOM 991 N ILE A 66 4.558 -7.459 1.739 1.00 0.00 N ATOM 992 CA ILE A 66 3.447 -7.780 2.619 1.00 0.00 C ATOM 993 C ILE A 66 2.772 -9.064 2.132 1.00 0.00 C ATOM 994 O ILE A 66 2.646 -10.028 2.886 1.00 0.00 O ATOM 995 CB ILE A 66 2.493 -6.590 2.735 1.00 0.00 C ATOM 996 CG1 ILE A 66 3.123 -5.460 3.553 1.00 0.00 C ATOM 997 CG2 ILE A 66 1.140 -7.024 3.302 1.00 0.00 C ATOM 998 CD1 ILE A 66 3.174 -5.823 5.038 1.00 0.00 C ATOM 0 H ILE A 66 4.657 -6.467 1.521 1.00 0.00 H new ATOM 0 HA ILE A 66 3.805 -7.971 3.631 1.00 0.00 H new ATOM 0 HB ILE A 66 2.311 -6.199 1.734 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.131 -5.260 3.189 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.548 -4.544 3.418 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.481 -6.159 3.374 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.691 -7.768 2.644 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.282 -7.455 4.293 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.626 -5.004 5.597 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.163 -5.998 5.405 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.770 -6.726 5.172 1.00 0.00 H new ATOM 1010 N MET A 67 2.354 -9.035 0.875 1.00 0.00 N ATOM 1011 CA MET A 67 1.695 -10.185 0.279 1.00 0.00 C ATOM 1012 C MET A 67 2.570 -11.435 0.386 1.00 0.00 C ATOM 1013 O MET A 67 2.177 -12.421 1.008 1.00 0.00 O ATOM 1014 CB MET A 67 1.396 -9.895 -1.194 1.00 0.00 C ATOM 1015 CG MET A 67 0.057 -9.172 -1.350 1.00 0.00 C ATOM 1016 SD MET A 67 -1.240 -10.354 -1.680 1.00 0.00 S ATOM 1017 CE MET A 67 -2.155 -10.245 -0.151 1.00 0.00 C ATOM 0 H MET A 67 2.459 -8.233 0.253 1.00 0.00 H new ATOM 0 HA MET A 67 0.766 -10.368 0.819 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.194 -9.285 -1.617 1.00 0.00 H new ATOM 0 HB3 MET A 67 1.377 -10.829 -1.755 1.00 0.00 H new ATOM 0 HG2 MET A 67 -0.172 -8.613 -0.443 1.00 0.00 H new ATOM 0 HG3 MET A 67 0.117 -8.449 -2.164 1.00 0.00 H new ATOM 0 HE1 MET A 67 -3.063 -10.842 -0.227 1.00 0.00 H new ATOM 0 HE2 MET A 67 -1.541 -10.621 0.668 1.00 0.00 H new ATOM 0 HE3 MET A 67 -2.420 -9.205 0.041 1.00 0.00 H new ATOM 1027 N GLY A 68 3.740 -11.355 -0.230 1.00 0.00 N ATOM 1028 CA GLY A 68 4.674 -12.468 -0.211 1.00 0.00 C ATOM 1029 C GLY A 68 4.114 -13.666 -0.981 1.00 0.00 C ATOM 1030 O GLY A 68 4.193 -14.801 -0.514 1.00 0.00 O ATOM 0 H GLY A 68 4.063 -10.536 -0.746 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.622 -12.159 -0.651 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.880 -12.757 0.820 1.00 0.00 H new ATOM 1245 N ALA A 80 2.537 -9.577 -9.820 1.00 0.00 N ATOM 1246 CA ALA A 80 2.058 -9.231 -11.147 1.00 0.00 C ATOM 1247 C ALA A 80 1.105 -8.038 -11.047 1.00 0.00 C ATOM 1248 O ALA A 80 1.271 -7.046 -11.755 1.00 0.00 O ATOM 1249 CB ALA A 80 1.396 -10.454 -11.786 1.00 0.00 C ATOM 0 HA ALA A 80 2.888 -8.936 -11.789 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.037 -10.194 -12.782 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.123 -11.263 -11.862 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.557 -10.777 -11.170 1.00 0.00 H new ATOM 1255 N GLY A 81 0.129 -8.174 -10.162 1.00 0.00 N ATOM 1256 CA GLY A 81 -0.850 -7.120 -9.959 1.00 0.00 C ATOM 1257 C GLY A 81 -0.214 -5.903 -9.285 1.00 0.00 C ATOM 1258 O GLY A 81 -0.571 -4.765 -9.586 1.00 0.00 O ATOM 0 H GLY A 81 -0.005 -8.999 -9.577 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.278 -6.827 -10.918 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.669 -7.493 -9.345 1.00 0.00 H new ATOM 1262 N LEU A 82 0.716 -6.185 -8.384 1.00 0.00 N ATOM 1263 CA LEU A 82 1.405 -5.127 -7.664 1.00 0.00 C ATOM 1264 C LEU A 82 2.091 -4.197 -8.667 1.00 0.00 C ATOM 1265 O LEU A 82 1.658 -3.062 -8.862 1.00 0.00 O ATOM 1266 CB LEU A 82 2.358 -5.720 -6.624 1.00 0.00 C ATOM 1267 CG LEU A 82 2.039 -5.399 -5.162 1.00 0.00 C ATOM 1268 CD1 LEU A 82 1.840 -3.896 -4.962 1.00 0.00 C ATOM 1269 CD2 LEU A 82 0.835 -6.207 -4.674 1.00 0.00 C ATOM 0 H LEU A 82 1.008 -7.130 -8.136 1.00 0.00 H new ATOM 0 HA LEU A 82 0.693 -4.522 -7.102 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.367 -6.803 -6.744 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.366 -5.367 -6.841 1.00 0.00 H new ATOM 0 HG LEU A 82 2.893 -5.694 -4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.615 -3.695 -3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.750 -3.368 -5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.013 -3.553 -5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.629 -5.960 -3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.036 -5.966 -5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.053 -7.272 -4.759 1.00 0.00 H new ATOM 1281 N VAL A 83 3.149 -4.711 -9.275 1.00 0.00 N ATOM 1282 CA VAL A 83 3.899 -3.941 -10.253 1.00 0.00 C ATOM 1283 C VAL A 83 2.939 -3.401 -11.315 1.00 0.00 C ATOM 1284 O VAL A 83 2.892 -2.196 -11.560 1.00 0.00 O ATOM 1285 CB VAL A 83 5.023 -4.795 -10.841 1.00 0.00 C ATOM 1286 CG1 VAL A 83 5.754 -4.045 -11.958 1.00 0.00 C ATOM 1287 CG2 VAL A 83 6.000 -5.242 -9.752 1.00 0.00 C ATOM 0 H VAL A 83 3.505 -5.652 -9.109 1.00 0.00 H new ATOM 0 HA VAL A 83 4.376 -3.083 -9.780 1.00 0.00 H new ATOM 0 HB VAL A 83 4.573 -5.688 -11.274 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.549 -4.674 -12.359 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.050 -3.799 -12.753 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.185 -3.127 -11.558 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.789 -5.848 -10.198 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.440 -4.366 -9.276 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.468 -5.832 -9.005 1.00 0.00 H new ATOM 1297 N ALA A 84 2.198 -4.319 -11.918 1.00 0.00 N ATOM 1298 CA ALA A 84 1.242 -3.950 -12.948 1.00 0.00 C ATOM 1299 C ALA A 84 0.411 -2.760 -12.465 1.00 0.00 C ATOM 1300 O ALA A 84 -0.016 -1.930 -13.266 1.00 0.00 O ATOM 1301 CB ALA A 84 0.376 -5.162 -13.299 1.00 0.00 C ATOM 0 H ALA A 84 2.240 -5.317 -11.713 1.00 0.00 H new ATOM 0 HA ALA A 84 1.758 -3.643 -13.858 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.341 -4.885 -14.072 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.011 -5.969 -13.665 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.159 -5.496 -12.410 1.00 0.00 H new ATOM 1307 N GLY A 85 0.205 -2.715 -11.157 1.00 0.00 N ATOM 1308 CA GLY A 85 -0.567 -1.641 -10.557 1.00 0.00 C ATOM 1309 C GLY A 85 0.238 -0.340 -10.522 1.00 0.00 C ATOM 1310 O GLY A 85 -0.287 0.727 -10.837 1.00 0.00 O ATOM 0 H GLY A 85 0.560 -3.406 -10.496 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.486 -1.489 -11.123 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.859 -1.920 -9.544 1.00 0.00 H new ATOM 1314 N LEU A 86 1.498 -0.472 -10.137 1.00 0.00 N ATOM 1315 CA LEU A 86 2.381 0.679 -10.056 1.00 0.00 C ATOM 1316 C LEU A 86 2.401 1.396 -11.408 1.00 0.00 C ATOM 1317 O LEU A 86 2.324 2.622 -11.465 1.00 0.00 O ATOM 1318 CB LEU A 86 3.767 0.259 -9.563 1.00 0.00 C ATOM 1319 CG LEU A 86 4.835 0.073 -10.642 1.00 0.00 C ATOM 1320 CD1 LEU A 86 5.229 1.415 -11.261 1.00 0.00 C ATOM 1321 CD2 LEU A 86 6.047 -0.681 -10.089 1.00 0.00 C ATOM 0 H LEU A 86 1.929 -1.359 -9.877 1.00 0.00 H new ATOM 0 HA LEU A 86 2.010 1.392 -9.320 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.121 1.008 -8.855 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.667 -0.677 -9.014 1.00 0.00 H new ATOM 0 HG LEU A 86 4.412 -0.537 -11.440 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.990 1.254 -12.025 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.352 1.878 -11.714 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.626 2.071 -10.486 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.792 -0.800 -10.876 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.480 -0.118 -9.262 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.734 -1.663 -9.734 1.00 0.00 H new ATOM 1333 N SER A 87 2.505 0.601 -12.462 1.00 0.00 N ATOM 1334 CA SER A 87 2.536 1.144 -13.810 1.00 0.00 C ATOM 1335 C SER A 87 1.186 1.778 -14.150 1.00 0.00 C ATOM 1336 O SER A 87 1.121 2.951 -14.514 1.00 0.00 O ATOM 1337 CB SER A 87 2.887 0.061 -14.832 1.00 0.00 C ATOM 1338 OG SER A 87 4.288 -0.192 -14.882 1.00 0.00 O ATOM 0 H SER A 87 2.569 -0.416 -12.410 1.00 0.00 H new ATOM 0 HA SER A 87 3.310 1.910 -13.853 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.361 -0.860 -14.579 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.538 0.367 -15.818 1.00 0.00 H new ATOM 0 HG SER A 87 4.471 -0.890 -15.545 1.00 0.00 H new ATOM 1344 N LEU A 88 0.141 0.974 -14.018 1.00 0.00 N ATOM 1345 CA LEU A 88 -1.204 1.442 -14.307 1.00 0.00 C ATOM 1346 C LEU A 88 -1.476 2.721 -13.513 1.00 0.00 C ATOM 1347 O LEU A 88 -2.315 3.531 -13.903 1.00 0.00 O ATOM 1348 CB LEU A 88 -2.224 0.331 -14.051 1.00 0.00 C ATOM 1349 CG LEU A 88 -3.582 0.496 -14.737 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -4.112 -0.850 -15.236 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -4.580 1.199 -13.815 1.00 0.00 C ATOM 0 H LEU A 88 0.199 0.002 -13.715 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.301 1.695 -15.363 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.789 -0.615 -14.373 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.389 0.257 -12.976 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.448 1.133 -15.611 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.078 -0.704 -15.719 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.409 -1.275 -15.952 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.227 -1.531 -14.393 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.537 1.304 -14.327 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.716 0.609 -12.909 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.199 2.186 -13.552 1.00 0.00 H new ATOM 1363 N MET A 89 -0.750 2.862 -12.413 1.00 0.00 N ATOM 1364 CA MET A 89 -0.903 4.029 -11.561 1.00 0.00 C ATOM 1365 C MET A 89 -0.254 5.261 -12.196 1.00 0.00 C ATOM 1366 O MET A 89 -0.931 6.248 -12.478 1.00 0.00 O ATOM 1367 CB MET A 89 -0.257 3.756 -10.201 1.00 0.00 C ATOM 1368 CG MET A 89 -0.827 4.685 -9.127 1.00 0.00 C ATOM 1369 SD MET A 89 0.469 5.717 -8.463 1.00 0.00 S ATOM 1370 CE MET A 89 0.609 6.921 -9.774 1.00 0.00 C ATOM 0 H MET A 89 -0.055 2.188 -12.093 1.00 0.00 H new ATOM 0 HA MET A 89 -1.968 4.227 -11.435 1.00 0.00 H new ATOM 0 HB2 MET A 89 -0.426 2.718 -9.916 1.00 0.00 H new ATOM 0 HB3 MET A 89 0.822 3.895 -10.272 1.00 0.00 H new ATOM 0 HG2 MET A 89 -1.616 5.306 -9.552 1.00 0.00 H new ATOM 0 HG3 MET A 89 -1.280 4.097 -8.329 1.00 0.00 H new ATOM 0 HE1 MET A 89 0.736 7.914 -9.344 1.00 0.00 H new ATOM 0 HE2 MET A 89 1.471 6.682 -10.397 1.00 0.00 H new ATOM 0 HE3 MET A 89 -0.295 6.903 -10.383 1.00 0.00 H new ATOM 1380 N MET A 90 1.051 5.162 -12.402 1.00 0.00 N ATOM 1381 CA MET A 90 1.799 6.256 -12.999 1.00 0.00 C ATOM 1382 C MET A 90 1.245 6.610 -14.381 1.00 0.00 C ATOM 1383 O MET A 90 1.495 7.699 -14.893 1.00 0.00 O ATOM 1384 CB MET A 90 3.271 5.859 -13.125 1.00 0.00 C ATOM 1385 CG MET A 90 3.491 4.942 -14.330 1.00 0.00 C ATOM 1386 SD MET A 90 4.418 5.802 -15.590 1.00 0.00 S ATOM 1387 CE MET A 90 5.946 4.882 -15.532 1.00 0.00 C ATOM 0 H MET A 90 1.610 4.342 -12.166 1.00 0.00 H new ATOM 0 HA MET A 90 1.703 7.130 -12.355 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.885 6.754 -13.228 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.594 5.353 -12.215 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.027 4.044 -14.021 1.00 0.00 H new ATOM 0 HG3 MET A 90 2.531 4.618 -14.731 1.00 0.00 H new ATOM 0 HE1 MET A 90 6.644 5.290 -16.262 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.379 4.958 -14.534 1.00 0.00 H new ATOM 0 HE3 MET A 90 5.749 3.835 -15.764 1.00 0.00 H new ATOM 1397 N ILE A 91 0.504 5.667 -14.944 1.00 0.00 N ATOM 1398 CA ILE A 91 -0.088 5.866 -16.257 1.00 0.00 C ATOM 1399 C ILE A 91 -1.441 6.562 -16.101 1.00 0.00 C ATOM 1400 O ILE A 91 -1.740 7.513 -16.822 1.00 0.00 O ATOM 1401 CB ILE A 91 -0.162 4.540 -17.017 1.00 0.00 C ATOM 1402 CG1 ILE A 91 0.448 4.674 -18.414 1.00 0.00 C ATOM 1403 CG2 ILE A 91 -1.598 4.016 -17.066 1.00 0.00 C ATOM 1404 CD1 ILE A 91 1.940 4.335 -18.396 1.00 0.00 C ATOM 0 H ILE A 91 0.300 4.764 -14.516 1.00 0.00 H new ATOM 0 HA ILE A 91 0.539 6.520 -16.863 1.00 0.00 H new ATOM 0 HB ILE A 91 0.431 3.803 -16.476 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.071 4.011 -19.106 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.307 5.691 -18.780 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.623 3.073 -17.612 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.962 3.858 -16.051 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.234 4.744 -17.570 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.349 4.438 -19.401 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.460 5.015 -17.721 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.076 3.309 -18.053 1.00 0.00 H new ATOM 1416 N LEU A 92 -2.223 6.062 -15.156 1.00 0.00 N ATOM 1417 CA LEU A 92 -3.538 6.624 -14.898 1.00 0.00 C ATOM 1418 C LEU A 92 -3.380 8.005 -14.260 1.00 0.00 C ATOM 1419 O LEU A 92 -4.334 8.780 -14.205 1.00 0.00 O ATOM 1420 CB LEU A 92 -4.381 5.655 -14.066 1.00 0.00 C ATOM 1421 CG LEU A 92 -4.133 5.677 -12.556 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -4.724 6.937 -11.922 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -4.661 4.401 -11.895 1.00 0.00 C ATOM 0 H LEU A 92 -1.971 5.274 -14.559 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.083 6.763 -15.832 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.434 5.875 -14.245 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.200 4.643 -14.429 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.057 5.706 -12.387 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.534 6.928 -10.849 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.261 7.819 -12.365 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.799 6.964 -12.100 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.472 4.442 -10.822 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -5.733 4.317 -12.072 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.154 3.535 -12.320 1.00 0.00 H new ATOM 1435 N ARG A 93 -2.169 8.272 -13.793 1.00 0.00 N ATOM 1436 CA ARG A 93 -1.875 9.547 -13.161 1.00 0.00 C ATOM 1437 C ARG A 93 -1.218 10.498 -14.165 1.00 0.00 C ATOM 1438 O ARG A 93 -1.536 11.685 -14.199 1.00 0.00 O ATOM 1439 CB ARG A 93 -0.946 9.364 -11.959 1.00 0.00 C ATOM 1440 CG ARG A 93 -1.704 9.563 -10.645 1.00 0.00 C ATOM 1441 CD ARG A 93 -1.127 10.737 -9.852 1.00 0.00 C ATOM 1442 NE ARG A 93 -1.762 10.806 -8.517 1.00 0.00 N ATOM 1443 CZ ARG A 93 -1.503 11.758 -7.610 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -0.621 12.727 -7.889 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -2.127 11.742 -6.424 1.00 0.00 N ATOM 0 H ARG A 93 -1.380 7.627 -13.840 1.00 0.00 H new ATOM 0 HA ARG A 93 -2.818 9.972 -12.816 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.507 8.366 -11.982 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.123 10.076 -12.019 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.759 9.743 -10.853 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.648 8.653 -10.047 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.049 10.620 -9.745 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.294 11.669 -10.392 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.439 10.084 -8.272 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.147 12.740 -8.792 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -0.424 13.452 -7.199 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -2.799 11.005 -6.211 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -1.930 12.467 -5.734 1.00 0.00 H new ATOM 1459 N LEU A 94 -0.315 9.939 -14.957 1.00 0.00 N ATOM 1460 CA LEU A 94 0.389 10.722 -15.958 1.00 0.00 C ATOM 1461 C LEU A 94 -0.534 10.958 -17.156 1.00 0.00 C ATOM 1462 O LEU A 94 -0.150 11.621 -18.118 1.00 0.00 O ATOM 1463 CB LEU A 94 1.715 10.054 -16.326 1.00 0.00 C ATOM 1464 CG LEU A 94 2.708 10.918 -17.106 1.00 0.00 C ATOM 1465 CD1 LEU A 94 4.150 10.557 -16.747 1.00 0.00 C ATOM 1466 CD2 LEU A 94 2.451 10.824 -18.612 1.00 0.00 C ATOM 0 H LEU A 94 -0.055 8.953 -14.926 1.00 0.00 H new ATOM 0 HA LEU A 94 0.652 11.702 -15.559 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.198 9.720 -15.408 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.499 9.163 -16.915 1.00 0.00 H new ATOM 0 HG LEU A 94 2.556 11.958 -16.817 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.835 11.186 -17.316 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.311 10.717 -15.681 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.334 9.510 -16.988 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.170 11.447 -19.143 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.559 9.789 -18.936 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.440 11.169 -18.831 1.00 0.00 H new ATOM 1478 N VAL A 95 -1.733 10.403 -17.057 1.00 0.00 N ATOM 1479 CA VAL A 95 -2.713 10.545 -18.120 1.00 0.00 C ATOM 1480 C VAL A 95 -3.135 12.011 -18.227 1.00 0.00 C ATOM 1481 O VAL A 95 -3.186 12.568 -19.322 1.00 0.00 O ATOM 1482 CB VAL A 95 -3.891 9.600 -17.875 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -5.191 10.189 -18.428 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -3.619 8.217 -18.470 1.00 0.00 C ATOM 0 H VAL A 95 -2.048 9.854 -16.257 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.280 10.261 -19.079 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.007 9.483 -16.798 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.012 9.497 -18.241 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.398 11.140 -17.936 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.090 10.350 -19.501 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.472 7.566 -18.281 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.462 8.308 -19.545 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.728 7.791 -18.008 1.00 0.00 H new ATOM 1494 N LEU A 96 -3.426 12.596 -17.074 1.00 0.00 N ATOM 1495 CA LEU A 96 -3.841 13.987 -17.024 1.00 0.00 C ATOM 1496 C LEU A 96 -2.622 14.869 -16.749 1.00 0.00 C ATOM 1497 O LEU A 96 -2.752 15.960 -16.195 1.00 0.00 O ATOM 1498 CB LEU A 96 -4.974 14.172 -16.012 1.00 0.00 C ATOM 1499 CG LEU A 96 -4.834 13.398 -14.699 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -5.561 14.115 -13.560 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -5.308 11.952 -14.862 1.00 0.00 C ATOM 0 H LEU A 96 -3.382 12.131 -16.167 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.249 14.297 -17.986 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.056 15.233 -15.778 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -5.910 13.877 -16.486 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.777 13.362 -14.434 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.446 13.544 -12.639 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.136 15.110 -13.426 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.620 14.203 -13.803 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.198 11.424 -13.915 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.356 11.944 -15.162 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.708 11.456 -15.625 1.00 0.00 H new