USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 441 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 SER OG : rot -144:sc= 0.283 USER MOD Set 1.2: A 89 MET CE :methyl 149:sc= -0.426 (180deg=-3.3) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 90:sc= 0.926 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 59 THR OG1 : rot 76:sc= 1.03 USER MOD Single : A 65 THR OG1 : rot 92:sc= 0.497 USER MOD Single : A 67 MET CE :methyl 160:sc= -0.641 (180deg=-1.88!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -163:sc= 0 (180deg=-0.112) USER MOD ----------------------------------------------------------------- ATOM 102 N TYR A 8 -27.691 -33.403 -5.386 1.00 0.00 N ATOM 103 CA TYR A 8 -28.275 -32.180 -4.862 1.00 0.00 C ATOM 104 C TYR A 8 -27.511 -31.692 -3.629 1.00 0.00 C ATOM 105 O TYR A 8 -27.202 -30.507 -3.516 1.00 0.00 O ATOM 106 CB TYR A 8 -29.705 -32.538 -4.452 1.00 0.00 C ATOM 107 CG TYR A 8 -30.668 -31.349 -4.453 1.00 0.00 C ATOM 108 CD1 TYR A 8 -30.998 -30.729 -5.641 1.00 0.00 C ATOM 109 CD2 TYR A 8 -31.208 -30.897 -3.266 1.00 0.00 C ATOM 110 CE1 TYR A 8 -31.904 -29.610 -5.642 1.00 0.00 C ATOM 111 CE2 TYR A 8 -32.115 -29.779 -3.267 1.00 0.00 C ATOM 112 CZ TYR A 8 -32.418 -29.190 -4.455 1.00 0.00 C ATOM 113 OH TYR A 8 -33.274 -28.134 -4.456 1.00 0.00 O ATOM 0 HA TYR A 8 -28.240 -31.387 -5.609 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -30.086 -33.302 -5.130 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -29.687 -32.977 -3.455 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -30.577 -31.083 -6.570 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -30.950 -31.382 -2.336 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -32.169 -29.115 -6.565 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -32.545 -29.416 -2.345 1.00 0.00 H new ATOM 0 HH TYR A 8 -33.562 -27.946 -3.538 1.00 0.00 H new ATOM 123 N ALA A 9 -27.228 -32.630 -2.738 1.00 0.00 N ATOM 124 CA ALA A 9 -26.507 -32.310 -1.518 1.00 0.00 C ATOM 125 C ALA A 9 -25.032 -32.075 -1.850 1.00 0.00 C ATOM 126 O ALA A 9 -24.340 -31.347 -1.139 1.00 0.00 O ATOM 127 CB ALA A 9 -26.703 -33.434 -0.498 1.00 0.00 C ATOM 0 H ALA A 9 -27.485 -33.612 -2.836 1.00 0.00 H new ATOM 0 HA ALA A 9 -26.895 -31.394 -1.072 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -26.162 -33.193 0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -27.764 -33.541 -0.274 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -26.323 -34.369 -0.909 1.00 0.00 H new ATOM 133 N ALA A 10 -24.594 -32.704 -2.931 1.00 0.00 N ATOM 134 CA ALA A 10 -23.214 -32.573 -3.366 1.00 0.00 C ATOM 135 C ALA A 10 -22.981 -31.153 -3.886 1.00 0.00 C ATOM 136 O ALA A 10 -22.081 -30.457 -3.419 1.00 0.00 O ATOM 137 CB ALA A 10 -22.907 -33.638 -4.420 1.00 0.00 C ATOM 0 H ALA A 10 -25.171 -33.306 -3.519 1.00 0.00 H new ATOM 0 HA ALA A 10 -22.531 -32.735 -2.532 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -21.872 -33.539 -4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -23.060 -34.629 -3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -23.571 -33.506 -5.275 1.00 0.00 H new ATOM 143 N LEU A 11 -23.807 -30.766 -4.847 1.00 0.00 N ATOM 144 CA LEU A 11 -23.702 -29.442 -5.436 1.00 0.00 C ATOM 145 C LEU A 11 -23.921 -28.387 -4.350 1.00 0.00 C ATOM 146 O LEU A 11 -23.199 -27.393 -4.291 1.00 0.00 O ATOM 147 CB LEU A 11 -24.656 -29.308 -6.625 1.00 0.00 C ATOM 148 CG LEU A 11 -26.137 -29.136 -6.282 1.00 0.00 C ATOM 149 CD1 LEU A 11 -26.481 -27.661 -6.066 1.00 0.00 C ATOM 150 CD2 LEU A 11 -27.025 -29.782 -7.346 1.00 0.00 C ATOM 0 H LEU A 11 -24.552 -31.346 -5.232 1.00 0.00 H new ATOM 0 HA LEU A 11 -22.702 -29.282 -5.839 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -24.341 -28.453 -7.224 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -24.549 -30.193 -7.252 1.00 0.00 H new ATOM 0 HG LEU A 11 -26.333 -29.653 -5.343 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -27.539 -27.566 -5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -25.884 -27.265 -5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -26.265 -27.100 -6.975 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -28.073 -29.645 -7.078 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -26.834 -29.315 -8.312 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -26.802 -30.847 -7.408 1.00 0.00 H new ATOM 162 N VAL A 12 -24.921 -28.639 -3.518 1.00 0.00 N ATOM 163 CA VAL A 12 -25.244 -27.723 -2.437 1.00 0.00 C ATOM 164 C VAL A 12 -23.996 -27.487 -1.584 1.00 0.00 C ATOM 165 O VAL A 12 -23.643 -26.345 -1.296 1.00 0.00 O ATOM 166 CB VAL A 12 -26.427 -28.262 -1.630 1.00 0.00 C ATOM 167 CG1 VAL A 12 -26.398 -27.732 -0.195 1.00 0.00 C ATOM 168 CG2 VAL A 12 -27.754 -27.927 -2.313 1.00 0.00 C ATOM 0 H VAL A 12 -25.518 -29.464 -3.571 1.00 0.00 H new ATOM 0 HA VAL A 12 -25.553 -26.756 -2.835 1.00 0.00 H new ATOM 0 HB VAL A 12 -26.338 -29.348 -1.587 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -27.249 -28.130 0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -25.473 -28.044 0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -26.451 -26.643 -0.208 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -28.579 -28.321 -1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -27.855 -26.845 -2.401 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -27.775 -28.375 -3.306 1.00 0.00 H new ATOM 178 N THR A 13 -23.362 -28.587 -1.203 1.00 0.00 N ATOM 179 CA THR A 13 -22.161 -28.514 -0.388 1.00 0.00 C ATOM 180 C THR A 13 -21.039 -27.811 -1.154 1.00 0.00 C ATOM 181 O THR A 13 -20.207 -27.130 -0.557 1.00 0.00 O ATOM 182 CB THR A 13 -21.800 -29.935 0.049 1.00 0.00 C ATOM 183 OG1 THR A 13 -22.847 -30.299 0.945 1.00 0.00 O ATOM 184 CG2 THR A 13 -20.538 -29.979 0.914 1.00 0.00 C ATOM 0 H THR A 13 -23.657 -29.533 -1.444 1.00 0.00 H new ATOM 0 HA THR A 13 -22.326 -27.915 0.507 1.00 0.00 H new ATOM 0 HB THR A 13 -21.658 -30.561 -0.832 1.00 0.00 H new ATOM 0 HG1 THR A 13 -23.573 -30.726 0.444 1.00 0.00 H new ATOM 0 HG21 THR A 13 -20.327 -31.010 1.197 1.00 0.00 H new ATOM 0 HG22 THR A 13 -19.696 -29.577 0.350 1.00 0.00 H new ATOM 0 HG23 THR A 13 -20.691 -29.381 1.812 1.00 0.00 H new ATOM 192 N PHE A 14 -21.052 -28.000 -2.466 1.00 0.00 N ATOM 193 CA PHE A 14 -20.046 -27.392 -3.320 1.00 0.00 C ATOM 194 C PHE A 14 -20.163 -25.867 -3.305 1.00 0.00 C ATOM 195 O PHE A 14 -19.182 -25.168 -3.057 1.00 0.00 O ATOM 196 CB PHE A 14 -20.301 -27.898 -4.741 1.00 0.00 C ATOM 197 CG PHE A 14 -19.056 -27.906 -5.631 1.00 0.00 C ATOM 198 CD1 PHE A 14 -18.042 -28.774 -5.373 1.00 0.00 C ATOM 199 CD2 PHE A 14 -18.965 -27.045 -6.680 1.00 0.00 C ATOM 200 CE1 PHE A 14 -16.887 -28.781 -6.199 1.00 0.00 C ATOM 201 CE2 PHE A 14 -17.810 -27.053 -7.507 1.00 0.00 C ATOM 202 CZ PHE A 14 -16.795 -27.921 -7.249 1.00 0.00 C ATOM 0 H PHE A 14 -21.744 -28.566 -2.958 1.00 0.00 H new ATOM 0 HA PHE A 14 -19.049 -27.656 -2.967 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -20.704 -28.909 -4.689 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -21.064 -27.274 -5.207 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -18.115 -29.458 -4.540 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -19.771 -26.355 -6.884 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -16.081 -29.470 -5.993 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -17.738 -26.370 -8.340 1.00 0.00 H new ATOM 0 HZ PHE A 14 -15.917 -27.927 -7.877 1.00 0.00 H new ATOM 212 N GLY A 15 -21.372 -25.395 -3.573 1.00 0.00 N ATOM 213 CA GLY A 15 -21.630 -23.966 -3.594 1.00 0.00 C ATOM 214 C GLY A 15 -21.571 -23.377 -2.182 1.00 0.00 C ATOM 215 O GLY A 15 -21.327 -22.183 -2.013 1.00 0.00 O ATOM 0 H GLY A 15 -22.184 -25.978 -3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.897 -23.470 -4.230 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.611 -23.776 -4.030 1.00 0.00 H new ATOM 219 N SER A 16 -21.797 -24.243 -1.205 1.00 0.00 N ATOM 220 CA SER A 16 -21.772 -23.824 0.186 1.00 0.00 C ATOM 221 C SER A 16 -20.345 -23.455 0.596 1.00 0.00 C ATOM 222 O SER A 16 -20.104 -22.359 1.100 1.00 0.00 O ATOM 223 CB SER A 16 -22.322 -24.920 1.101 1.00 0.00 C ATOM 224 OG SER A 16 -23.525 -24.520 1.751 1.00 0.00 O ATOM 0 H SER A 16 -21.998 -25.233 -1.349 1.00 0.00 H new ATOM 0 HA SER A 16 -22.411 -22.947 0.291 1.00 0.00 H new ATOM 0 HB2 SER A 16 -22.508 -25.821 0.516 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.573 -25.176 1.850 1.00 0.00 H new ATOM 0 HG SER A 16 -23.845 -25.248 2.324 1.00 0.00 H new ATOM 230 N ILE A 17 -19.437 -24.392 0.366 1.00 0.00 N ATOM 231 CA ILE A 17 -18.040 -24.180 0.706 1.00 0.00 C ATOM 232 C ILE A 17 -17.457 -23.097 -0.205 1.00 0.00 C ATOM 233 O ILE A 17 -16.955 -22.082 0.274 1.00 0.00 O ATOM 234 CB ILE A 17 -17.271 -25.501 0.660 1.00 0.00 C ATOM 235 CG1 ILE A 17 -17.798 -26.479 1.713 1.00 0.00 C ATOM 236 CG2 ILE A 17 -15.766 -25.265 0.801 1.00 0.00 C ATOM 237 CD1 ILE A 17 -17.262 -27.891 1.467 1.00 0.00 C ATOM 0 H ILE A 17 -19.641 -25.300 -0.052 1.00 0.00 H new ATOM 0 HA ILE A 17 -17.948 -23.820 1.731 1.00 0.00 H new ATOM 0 HB ILE A 17 -17.436 -25.958 -0.316 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -17.503 -26.142 2.707 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -18.888 -26.491 1.691 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -15.243 -26.221 0.765 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -15.419 -24.631 -0.015 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -15.562 -24.775 1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -17.652 -28.566 2.229 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -17.579 -28.234 0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -16.173 -27.880 1.514 1.00 0.00 H new ATOM 249 N PHE A 18 -17.544 -23.351 -1.503 1.00 0.00 N ATOM 250 CA PHE A 18 -17.032 -22.411 -2.485 1.00 0.00 C ATOM 251 C PHE A 18 -17.609 -21.012 -2.259 1.00 0.00 C ATOM 252 O PHE A 18 -16.926 -20.012 -2.475 1.00 0.00 O ATOM 253 CB PHE A 18 -17.473 -22.916 -3.860 1.00 0.00 C ATOM 254 CG PHE A 18 -16.611 -22.406 -5.017 1.00 0.00 C ATOM 255 CD1 PHE A 18 -15.365 -22.917 -5.213 1.00 0.00 C ATOM 256 CD2 PHE A 18 -17.089 -21.442 -5.848 1.00 0.00 C ATOM 257 CE1 PHE A 18 -14.565 -22.444 -6.286 1.00 0.00 C ATOM 258 CE2 PHE A 18 -16.288 -20.969 -6.921 1.00 0.00 C ATOM 259 CZ PHE A 18 -15.043 -21.480 -7.118 1.00 0.00 C ATOM 0 H PHE A 18 -17.961 -24.194 -1.897 1.00 0.00 H new ATOM 0 HA PHE A 18 -15.947 -22.344 -2.405 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -17.453 -24.006 -3.859 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -18.507 -22.616 -4.031 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -14.985 -23.682 -4.552 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -18.078 -21.036 -5.692 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -13.576 -22.850 -6.442 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -16.668 -20.203 -7.581 1.00 0.00 H new ATOM 0 HZ PHE A 18 -14.434 -21.121 -7.935 1.00 0.00 H new ATOM 441 N ILE A 30 -6.385 -7.910 -7.918 1.00 0.00 N ATOM 442 CA ILE A 30 -6.903 -7.224 -6.747 1.00 0.00 C ATOM 443 C ILE A 30 -5.768 -6.454 -6.069 1.00 0.00 C ATOM 444 O ILE A 30 -5.991 -5.387 -5.498 1.00 0.00 O ATOM 445 CB ILE A 30 -7.617 -8.210 -5.820 1.00 0.00 C ATOM 446 CG1 ILE A 30 -8.243 -7.486 -4.626 1.00 0.00 C ATOM 447 CG2 ILE A 30 -6.673 -9.330 -5.380 1.00 0.00 C ATOM 448 CD1 ILE A 30 -9.000 -6.235 -5.079 1.00 0.00 C ATOM 0 HA ILE A 30 -7.657 -6.492 -7.037 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.431 -8.674 -6.377 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.924 -8.159 -4.104 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.464 -7.207 -3.916 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.205 -10.017 -4.722 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.316 -9.870 -6.257 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.824 -8.902 -4.847 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.435 -5.739 -4.211 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.311 -5.554 -5.579 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.793 -6.520 -5.770 1.00 0.00 H new ATOM 460 N ALA A 31 -4.575 -7.025 -6.153 1.00 0.00 N ATOM 461 CA ALA A 31 -3.405 -6.405 -5.555 1.00 0.00 C ATOM 462 C ALA A 31 -3.188 -5.025 -6.179 1.00 0.00 C ATOM 463 O ALA A 31 -3.082 -4.028 -5.468 1.00 0.00 O ATOM 464 CB ALA A 31 -2.194 -7.323 -5.734 1.00 0.00 C ATOM 0 H ALA A 31 -4.394 -7.910 -6.626 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.551 -6.262 -4.484 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.316 -6.858 -5.286 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.387 -8.279 -5.247 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.015 -7.486 -6.797 1.00 0.00 H new ATOM 470 N GLY A 32 -3.127 -5.013 -7.503 1.00 0.00 N ATOM 471 CA GLY A 32 -2.925 -3.772 -8.231 1.00 0.00 C ATOM 472 C GLY A 32 -4.004 -2.747 -7.878 1.00 0.00 C ATOM 473 O GLY A 32 -3.696 -1.597 -7.569 1.00 0.00 O ATOM 0 H GLY A 32 -3.214 -5.843 -8.090 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.941 -3.365 -7.997 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.942 -3.968 -9.303 1.00 0.00 H new ATOM 477 N LEU A 33 -5.248 -3.200 -7.936 1.00 0.00 N ATOM 478 CA LEU A 33 -6.375 -2.337 -7.626 1.00 0.00 C ATOM 479 C LEU A 33 -6.177 -1.726 -6.237 1.00 0.00 C ATOM 480 O LEU A 33 -6.430 -0.539 -6.035 1.00 0.00 O ATOM 481 CB LEU A 33 -7.692 -3.099 -7.780 1.00 0.00 C ATOM 482 CG LEU A 33 -8.948 -2.375 -7.291 1.00 0.00 C ATOM 483 CD1 LEU A 33 -9.880 -2.043 -8.458 1.00 0.00 C ATOM 484 CD2 LEU A 33 -9.657 -3.182 -6.201 1.00 0.00 C ATOM 0 H LEU A 33 -5.500 -4.154 -8.193 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.427 -1.510 -8.334 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.825 -3.345 -8.834 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.608 -4.043 -7.241 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.644 -1.429 -6.844 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.765 -1.529 -8.082 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.360 -1.399 -9.167 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.180 -2.964 -8.957 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.546 -2.645 -5.871 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.947 -4.154 -6.599 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.983 -3.322 -5.356 1.00 0.00 H new ATOM 496 N PHE A 34 -5.726 -2.564 -5.316 1.00 0.00 N ATOM 497 CA PHE A 34 -5.491 -2.121 -3.952 1.00 0.00 C ATOM 498 C PHE A 34 -4.450 -1.001 -3.911 1.00 0.00 C ATOM 499 O PHE A 34 -4.675 0.038 -3.292 1.00 0.00 O ATOM 500 CB PHE A 34 -4.956 -3.327 -3.176 1.00 0.00 C ATOM 501 CG PHE A 34 -5.017 -3.165 -1.656 1.00 0.00 C ATOM 502 CD1 PHE A 34 -6.123 -3.564 -0.973 1.00 0.00 C ATOM 503 CD2 PHE A 34 -3.965 -2.621 -0.987 1.00 0.00 C ATOM 504 CE1 PHE A 34 -6.179 -3.414 0.438 1.00 0.00 C ATOM 505 CE2 PHE A 34 -4.021 -2.471 0.424 1.00 0.00 C ATOM 506 CZ PHE A 34 -5.127 -2.870 1.107 1.00 0.00 C ATOM 0 H PHE A 34 -5.517 -3.548 -5.487 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.416 -1.737 -3.521 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.527 -4.211 -3.460 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.922 -3.506 -3.471 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.959 -3.995 -1.504 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.087 -2.303 -1.529 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.057 -3.732 0.980 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.185 -2.040 0.955 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.170 -2.755 2.180 1.00 0.00 H new ATOM 516 N VAL A 35 -3.333 -1.250 -4.578 1.00 0.00 N ATOM 517 CA VAL A 35 -2.256 -0.275 -4.626 1.00 0.00 C ATOM 518 C VAL A 35 -2.804 1.058 -5.139 1.00 0.00 C ATOM 519 O VAL A 35 -2.416 2.121 -4.655 1.00 0.00 O ATOM 520 CB VAL A 35 -1.101 -0.812 -5.472 1.00 0.00 C ATOM 521 CG1 VAL A 35 0.010 0.231 -5.609 1.00 0.00 C ATOM 522 CG2 VAL A 35 -0.557 -2.119 -4.891 1.00 0.00 C ATOM 0 H VAL A 35 -3.150 -2.113 -5.090 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.855 -0.099 -3.628 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.487 -1.023 -6.469 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.819 -0.177 -6.215 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.388 1.125 -6.089 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.391 0.488 -4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.263 -2.479 -5.512 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.196 -1.944 -3.878 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.351 -2.866 -4.869 1.00 0.00 H new ATOM 532 N GLY A 36 -3.697 0.959 -6.112 1.00 0.00 N ATOM 533 CA GLY A 36 -4.302 2.144 -6.696 1.00 0.00 C ATOM 534 C GLY A 36 -5.270 2.807 -5.714 1.00 0.00 C ATOM 535 O GLY A 36 -5.352 4.032 -5.649 1.00 0.00 O ATOM 0 H GLY A 36 -4.016 0.076 -6.511 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.523 2.852 -6.979 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.833 1.873 -7.609 1.00 0.00 H new ATOM 539 N CYS A 37 -5.978 1.967 -4.974 1.00 0.00 N ATOM 540 CA CYS A 37 -6.937 2.456 -3.997 1.00 0.00 C ATOM 541 C CYS A 37 -6.190 3.324 -2.983 1.00 0.00 C ATOM 542 O CYS A 37 -6.556 4.477 -2.760 1.00 0.00 O ATOM 543 CB CYS A 37 -7.691 1.309 -3.321 1.00 0.00 C ATOM 544 SG CYS A 37 -9.469 1.720 -3.190 1.00 0.00 S ATOM 0 H CYS A 37 -5.907 0.951 -5.031 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.696 3.057 -4.498 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.563 0.391 -3.894 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.278 1.126 -2.329 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.100 0.739 -2.617 1.00 0.00 H new ATOM 550 N LEU A 38 -5.157 2.738 -2.397 1.00 0.00 N ATOM 551 CA LEU A 38 -4.356 3.444 -1.412 1.00 0.00 C ATOM 552 C LEU A 38 -3.690 4.652 -2.074 1.00 0.00 C ATOM 553 O LEU A 38 -3.522 5.695 -1.443 1.00 0.00 O ATOM 554 CB LEU A 38 -3.367 2.488 -0.741 1.00 0.00 C ATOM 555 CG LEU A 38 -2.401 1.758 -1.676 1.00 0.00 C ATOM 556 CD1 LEU A 38 -1.211 2.649 -2.040 1.00 0.00 C ATOM 557 CD2 LEU A 38 -1.954 0.425 -1.072 1.00 0.00 C ATOM 0 H LEU A 38 -4.856 1.782 -2.585 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.988 3.827 -0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.782 3.053 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.934 1.743 -0.183 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.929 1.531 -2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.540 2.106 -2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.570 3.548 -2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.675 2.928 -1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.268 -0.073 -1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.450 0.606 -0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.825 -0.209 -0.906 1.00 0.00 H new ATOM 569 N ALA A 39 -3.330 4.472 -3.336 1.00 0.00 N ATOM 570 CA ALA A 39 -2.687 5.534 -4.090 1.00 0.00 C ATOM 571 C ALA A 39 -3.590 6.770 -4.093 1.00 0.00 C ATOM 572 O ALA A 39 -3.113 7.892 -3.934 1.00 0.00 O ATOM 573 CB ALA A 39 -2.371 5.039 -5.502 1.00 0.00 C ATOM 0 H ALA A 39 -3.472 3.606 -3.856 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.742 5.817 -3.625 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.889 5.836 -6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.704 4.179 -5.445 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.295 4.748 -6.001 1.00 0.00 H new ATOM 579 N GLY A 40 -4.878 6.521 -4.278 1.00 0.00 N ATOM 580 CA GLY A 40 -5.852 7.599 -4.305 1.00 0.00 C ATOM 581 C GLY A 40 -6.044 8.199 -2.910 1.00 0.00 C ATOM 582 O GLY A 40 -5.812 9.390 -2.706 1.00 0.00 O ATOM 0 H GLY A 40 -5.270 5.589 -4.411 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.522 8.375 -4.996 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.805 7.224 -4.678 1.00 0.00 H new ATOM 768 N ASP A 52 5.160 11.384 -5.640 1.00 0.00 N ATOM 769 CA ASP A 52 4.639 11.186 -6.982 1.00 0.00 C ATOM 770 C ASP A 52 4.507 9.687 -7.258 1.00 0.00 C ATOM 771 O ASP A 52 3.452 9.100 -7.021 1.00 0.00 O ATOM 772 CB ASP A 52 5.582 11.779 -8.031 1.00 0.00 C ATOM 773 CG ASP A 52 5.403 13.276 -8.290 1.00 0.00 C ATOM 774 OD1 ASP A 52 5.046 14.043 -7.383 1.00 0.00 O ATOM 775 OD2 ASP A 52 5.648 13.654 -9.499 1.00 0.00 O ATOM 0 HA ASP A 52 3.671 11.683 -7.045 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.610 11.601 -7.715 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.439 11.244 -8.970 1.00 0.00 H new ATOM 780 N VAL A 53 5.592 9.112 -7.754 1.00 0.00 N ATOM 781 CA VAL A 53 5.610 7.692 -8.065 1.00 0.00 C ATOM 782 C VAL A 53 6.270 6.931 -6.913 1.00 0.00 C ATOM 783 O VAL A 53 6.218 5.703 -6.865 1.00 0.00 O ATOM 784 CB VAL A 53 6.302 7.460 -9.409 1.00 0.00 C ATOM 785 CG1 VAL A 53 6.179 5.998 -9.844 1.00 0.00 C ATOM 786 CG2 VAL A 53 5.747 8.399 -10.481 1.00 0.00 C ATOM 0 H VAL A 53 6.465 9.603 -7.948 1.00 0.00 H new ATOM 0 HA VAL A 53 4.594 7.310 -8.167 1.00 0.00 H new ATOM 0 HB VAL A 53 7.361 7.684 -9.283 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.679 5.860 -10.802 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.644 5.356 -9.096 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.126 5.735 -9.944 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.256 8.213 -11.427 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.679 8.221 -10.603 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.910 9.433 -10.178 1.00 0.00 H new ATOM 796 N LYS A 54 6.876 7.692 -6.013 1.00 0.00 N ATOM 797 CA LYS A 54 7.545 7.105 -4.865 1.00 0.00 C ATOM 798 C LYS A 54 6.604 6.108 -4.186 1.00 0.00 C ATOM 799 O LYS A 54 7.005 4.992 -3.861 1.00 0.00 O ATOM 800 CB LYS A 54 8.062 8.199 -3.929 1.00 0.00 C ATOM 801 CG LYS A 54 9.588 8.155 -3.824 1.00 0.00 C ATOM 802 CD LYS A 54 10.079 8.971 -2.627 1.00 0.00 C ATOM 803 CE LYS A 54 11.435 8.461 -2.134 1.00 0.00 C ATOM 804 NZ LYS A 54 11.432 8.322 -0.661 1.00 0.00 N ATOM 0 H LYS A 54 6.917 8.710 -6.056 1.00 0.00 H new ATOM 0 HA LYS A 54 8.426 6.547 -5.182 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.747 9.176 -4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.622 8.074 -2.940 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.920 7.121 -3.725 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.031 8.545 -4.741 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.162 10.021 -2.908 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.349 8.913 -1.819 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.658 7.499 -2.595 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.222 9.151 -2.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.359 7.975 -0.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.240 9.247 -0.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.694 7.646 -0.378 1.00 0.00 H new ATOM 818 N VAL A 55 5.369 6.548 -3.991 1.00 0.00 N ATOM 819 CA VAL A 55 4.367 5.709 -3.357 1.00 0.00 C ATOM 820 C VAL A 55 4.025 4.541 -4.284 1.00 0.00 C ATOM 821 O VAL A 55 3.805 3.422 -3.823 1.00 0.00 O ATOM 822 CB VAL A 55 3.146 6.548 -2.977 1.00 0.00 C ATOM 823 CG1 VAL A 55 2.461 7.115 -4.222 1.00 0.00 C ATOM 824 CG2 VAL A 55 2.162 5.735 -2.133 1.00 0.00 C ATOM 0 H VAL A 55 5.040 7.475 -4.261 1.00 0.00 H new ATOM 0 HA VAL A 55 4.755 5.286 -2.430 1.00 0.00 H new ATOM 0 HB VAL A 55 3.492 7.387 -2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.596 7.707 -3.923 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.162 7.746 -4.768 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.136 6.296 -4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.303 6.356 -1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.826 4.867 -2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.655 5.402 -1.219 1.00 0.00 H new ATOM 834 N SER A 56 3.991 4.841 -5.574 1.00 0.00 N ATOM 835 CA SER A 56 3.679 3.830 -6.570 1.00 0.00 C ATOM 836 C SER A 56 4.607 2.625 -6.401 1.00 0.00 C ATOM 837 O SER A 56 4.153 1.528 -6.079 1.00 0.00 O ATOM 838 CB SER A 56 3.797 4.397 -7.986 1.00 0.00 C ATOM 839 OG SER A 56 2.768 3.912 -8.843 1.00 0.00 O ATOM 0 H SER A 56 4.174 5.770 -5.953 1.00 0.00 H new ATOM 0 HA SER A 56 2.648 3.510 -6.421 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.752 5.485 -7.946 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.769 4.133 -8.402 1.00 0.00 H new ATOM 0 HG SER A 56 3.127 3.785 -9.746 1.00 0.00 H new ATOM 845 N LEU A 57 5.889 2.871 -6.625 1.00 0.00 N ATOM 846 CA LEU A 57 6.885 1.820 -6.502 1.00 0.00 C ATOM 847 C LEU A 57 6.920 1.323 -5.055 1.00 0.00 C ATOM 848 O LEU A 57 6.597 0.168 -4.784 1.00 0.00 O ATOM 849 CB LEU A 57 8.241 2.303 -7.019 1.00 0.00 C ATOM 850 CG LEU A 57 8.910 1.421 -8.075 1.00 0.00 C ATOM 851 CD1 LEU A 57 9.178 0.018 -7.528 1.00 0.00 C ATOM 852 CD2 LEU A 57 8.084 1.387 -9.363 1.00 0.00 C ATOM 0 H LEU A 57 6.261 3.783 -6.891 1.00 0.00 H new ATOM 0 HA LEU A 57 6.618 0.967 -7.126 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.113 3.302 -7.437 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.919 2.397 -6.170 1.00 0.00 H new ATOM 0 HG LEU A 57 9.877 1.859 -8.324 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.654 -0.588 -8.299 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.836 0.085 -6.661 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.236 -0.444 -7.234 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.581 0.753 -10.097 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.093 0.986 -9.149 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.989 2.397 -9.761 1.00 0.00 H new ATOM 864 N PHE A 58 7.314 2.221 -4.164 1.00 0.00 N ATOM 865 CA PHE A 58 7.394 1.889 -2.752 1.00 0.00 C ATOM 866 C PHE A 58 6.261 0.945 -2.345 1.00 0.00 C ATOM 867 O PHE A 58 6.484 -0.020 -1.616 1.00 0.00 O ATOM 868 CB PHE A 58 7.254 3.200 -1.975 1.00 0.00 C ATOM 869 CG PHE A 58 7.303 3.030 -0.455 1.00 0.00 C ATOM 870 CD1 PHE A 58 8.494 3.093 0.198 1.00 0.00 C ATOM 871 CD2 PHE A 58 6.155 2.817 0.242 1.00 0.00 C ATOM 872 CE1 PHE A 58 8.539 2.937 1.608 1.00 0.00 C ATOM 873 CE2 PHE A 58 6.200 2.660 1.653 1.00 0.00 C ATOM 874 CZ PHE A 58 7.392 2.723 2.306 1.00 0.00 C ATOM 0 H PHE A 58 7.581 3.178 -4.393 1.00 0.00 H new ATOM 0 HA PHE A 58 8.340 1.390 -2.541 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.051 3.878 -2.280 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.311 3.673 -2.247 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.406 3.262 -0.356 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.209 2.767 -0.277 1.00 0.00 H new ATOM 0 HE1 PHE A 58 9.485 2.988 2.127 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.289 2.491 2.207 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.427 2.603 3.379 1.00 0.00 H new ATOM 884 N THR A 59 5.070 1.256 -2.835 1.00 0.00 N ATOM 885 CA THR A 59 3.901 0.448 -2.531 1.00 0.00 C ATOM 886 C THR A 59 4.036 -0.941 -3.159 1.00 0.00 C ATOM 887 O THR A 59 4.000 -1.950 -2.457 1.00 0.00 O ATOM 888 CB THR A 59 2.663 1.211 -3.004 1.00 0.00 C ATOM 889 OG1 THR A 59 2.568 2.311 -2.103 1.00 0.00 O ATOM 890 CG2 THR A 59 1.369 0.428 -2.774 1.00 0.00 C ATOM 0 H THR A 59 4.889 2.057 -3.441 1.00 0.00 H new ATOM 0 HA THR A 59 3.805 0.278 -1.459 1.00 0.00 H new ATOM 0 HB THR A 59 2.763 1.443 -4.064 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.242 2.983 -2.335 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.521 1.015 -3.127 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.412 -0.514 -3.321 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.251 0.225 -1.710 1.00 0.00 H new ATOM 898 N ALA A 60 4.188 -0.948 -4.476 1.00 0.00 N ATOM 899 CA ALA A 60 4.328 -2.196 -5.206 1.00 0.00 C ATOM 900 C ALA A 60 5.329 -3.097 -4.481 1.00 0.00 C ATOM 901 O ALA A 60 5.116 -4.303 -4.370 1.00 0.00 O ATOM 902 CB ALA A 60 4.748 -1.899 -6.647 1.00 0.00 C ATOM 0 H ALA A 60 4.217 -0.109 -5.056 1.00 0.00 H new ATOM 0 HA ALA A 60 3.377 -2.726 -5.246 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.853 -2.835 -7.196 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.990 -1.281 -7.127 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.701 -1.370 -6.647 1.00 0.00 H new ATOM 908 N PHE A 61 6.398 -2.476 -4.005 1.00 0.00 N ATOM 909 CA PHE A 61 7.433 -3.207 -3.294 1.00 0.00 C ATOM 910 C PHE A 61 6.944 -3.642 -1.910 1.00 0.00 C ATOM 911 O PHE A 61 7.315 -4.709 -1.424 1.00 0.00 O ATOM 912 CB PHE A 61 8.619 -2.256 -3.127 1.00 0.00 C ATOM 913 CG PHE A 61 9.956 -2.841 -3.584 1.00 0.00 C ATOM 914 CD1 PHE A 61 10.595 -3.762 -2.813 1.00 0.00 C ATOM 915 CD2 PHE A 61 10.506 -2.442 -4.762 1.00 0.00 C ATOM 916 CE1 PHE A 61 11.836 -4.305 -3.237 1.00 0.00 C ATOM 917 CE2 PHE A 61 11.747 -2.986 -5.187 1.00 0.00 C ATOM 918 CZ PHE A 61 12.386 -3.906 -4.415 1.00 0.00 C ATOM 0 H PHE A 61 6.570 -1.475 -4.098 1.00 0.00 H new ATOM 0 HA PHE A 61 7.706 -4.103 -3.852 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.422 -1.344 -3.690 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.698 -1.972 -2.078 1.00 0.00 H new ATOM 0 HD1 PHE A 61 10.158 -4.080 -1.878 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.999 -1.711 -5.374 1.00 0.00 H new ATOM 0 HE1 PHE A 61 12.344 -5.035 -2.624 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.183 -2.669 -6.123 1.00 0.00 H new ATOM 0 HZ PHE A 61 13.330 -4.320 -4.738 1.00 0.00 H new ATOM 928 N PHE A 62 6.119 -2.792 -1.316 1.00 0.00 N ATOM 929 CA PHE A 62 5.576 -3.075 0.002 1.00 0.00 C ATOM 930 C PHE A 62 4.583 -4.238 -0.052 1.00 0.00 C ATOM 931 O PHE A 62 4.796 -5.271 0.581 1.00 0.00 O ATOM 932 CB PHE A 62 4.842 -1.814 0.463 1.00 0.00 C ATOM 933 CG PHE A 62 5.088 -1.453 1.930 1.00 0.00 C ATOM 934 CD1 PHE A 62 6.356 -1.257 2.379 1.00 0.00 C ATOM 935 CD2 PHE A 62 4.037 -1.328 2.784 1.00 0.00 C ATOM 936 CE1 PHE A 62 6.584 -0.921 3.739 1.00 0.00 C ATOM 937 CE2 PHE A 62 4.265 -0.992 4.145 1.00 0.00 C ATOM 938 CZ PHE A 62 5.533 -0.796 4.594 1.00 0.00 C ATOM 0 H PHE A 62 5.814 -1.908 -1.723 1.00 0.00 H new ATOM 0 HA PHE A 62 6.380 -3.351 0.684 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.150 -0.977 -0.163 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.772 -1.951 0.308 1.00 0.00 H new ATOM 0 HD1 PHE A 62 7.190 -1.357 1.701 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.030 -1.484 2.427 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.592 -0.765 4.095 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.431 -0.892 4.823 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.706 -0.541 5.629 1.00 0.00 H new ATOM 948 N LEU A 63 3.520 -4.031 -0.815 1.00 0.00 N ATOM 949 CA LEU A 63 2.493 -5.049 -0.960 1.00 0.00 C ATOM 950 C LEU A 63 3.130 -6.339 -1.480 1.00 0.00 C ATOM 951 O LEU A 63 2.784 -7.431 -1.031 1.00 0.00 O ATOM 952 CB LEU A 63 1.347 -4.534 -1.834 1.00 0.00 C ATOM 953 CG LEU A 63 0.014 -4.299 -1.121 1.00 0.00 C ATOM 954 CD1 LEU A 63 -0.531 -5.602 -0.534 1.00 0.00 C ATOM 955 CD2 LEU A 63 0.145 -3.203 -0.061 1.00 0.00 C ATOM 0 H LEU A 63 3.347 -3.173 -1.339 1.00 0.00 H new ATOM 0 HA LEU A 63 2.047 -5.280 0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.660 -3.597 -2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.184 -5.247 -2.642 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.710 -3.950 -1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.479 -5.407 -0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.686 -6.325 -1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.183 -6.004 0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.817 -3.056 0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.889 -3.499 0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.456 -2.273 -0.536 1.00 0.00 H new ATOM 967 N ALA A 64 4.050 -6.171 -2.418 1.00 0.00 N ATOM 968 CA ALA A 64 4.739 -7.308 -3.004 1.00 0.00 C ATOM 969 C ALA A 64 5.408 -8.121 -1.893 1.00 0.00 C ATOM 970 O ALA A 64 5.156 -9.317 -1.756 1.00 0.00 O ATOM 971 CB ALA A 64 5.741 -6.815 -4.050 1.00 0.00 C ATOM 0 H ALA A 64 4.335 -5.264 -2.787 1.00 0.00 H new ATOM 0 HA ALA A 64 4.033 -7.964 -3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.258 -7.668 -4.489 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.212 -6.269 -4.831 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.468 -6.156 -3.575 1.00 0.00 H new ATOM 977 N THR A 65 6.249 -7.438 -1.129 1.00 0.00 N ATOM 978 CA THR A 65 6.956 -8.082 -0.035 1.00 0.00 C ATOM 979 C THR A 65 5.964 -8.724 0.937 1.00 0.00 C ATOM 980 O THR A 65 5.941 -9.944 1.090 1.00 0.00 O ATOM 981 CB THR A 65 7.861 -7.038 0.622 1.00 0.00 C ATOM 982 OG1 THR A 65 8.911 -6.845 -0.322 1.00 0.00 O ATOM 983 CG2 THR A 65 8.571 -7.577 1.865 1.00 0.00 C ATOM 0 H THR A 65 6.456 -6.446 -1.246 1.00 0.00 H new ATOM 0 HA THR A 65 7.583 -8.897 -0.395 1.00 0.00 H new ATOM 0 HB THR A 65 7.269 -6.164 0.893 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.677 -6.110 -0.926 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.200 -6.796 2.292 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.830 -7.889 2.601 1.00 0.00 H new ATOM 0 HG23 THR A 65 9.190 -8.431 1.589 1.00 0.00 H new ATOM 991 N ILE A 66 5.168 -7.873 1.568 1.00 0.00 N ATOM 992 CA ILE A 66 4.176 -8.342 2.521 1.00 0.00 C ATOM 993 C ILE A 66 3.525 -9.619 1.985 1.00 0.00 C ATOM 994 O ILE A 66 3.497 -10.640 2.671 1.00 0.00 O ATOM 995 CB ILE A 66 3.176 -7.231 2.844 1.00 0.00 C ATOM 996 CG1 ILE A 66 3.857 -6.079 3.585 1.00 0.00 C ATOM 997 CG2 ILE A 66 1.976 -7.781 3.618 1.00 0.00 C ATOM 998 CD1 ILE A 66 3.101 -4.766 3.371 1.00 0.00 C ATOM 0 H ILE A 66 5.190 -6.862 1.438 1.00 0.00 H new ATOM 0 HA ILE A 66 4.649 -8.598 3.469 1.00 0.00 H new ATOM 0 HB ILE A 66 2.796 -6.830 1.904 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.906 -6.305 4.650 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.884 -5.973 3.235 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.280 -6.970 3.835 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.473 -8.540 3.019 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.318 -8.225 4.553 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.606 -3.964 3.908 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.075 -4.530 2.307 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.082 -4.868 3.745 1.00 0.00 H new ATOM 1010 N MET A 67 3.017 -9.520 0.766 1.00 0.00 N ATOM 1011 CA MET A 67 2.368 -10.654 0.131 1.00 0.00 C ATOM 1012 C MET A 67 3.231 -11.913 0.242 1.00 0.00 C ATOM 1013 O MET A 67 2.872 -12.855 0.947 1.00 0.00 O ATOM 1014 CB MET A 67 2.115 -10.338 -1.345 1.00 0.00 C ATOM 1015 CG MET A 67 1.022 -9.279 -1.499 1.00 0.00 C ATOM 1016 SD MET A 67 -0.511 -10.051 -1.988 1.00 0.00 S ATOM 1017 CE MET A 67 -1.465 -8.604 -2.417 1.00 0.00 C ATOM 0 H MET A 67 3.042 -8.671 0.201 1.00 0.00 H new ATOM 0 HA MET A 67 1.422 -10.838 0.640 1.00 0.00 H new ATOM 0 HB2 MET A 67 3.036 -9.985 -1.808 1.00 0.00 H new ATOM 0 HB3 MET A 67 1.822 -11.247 -1.870 1.00 0.00 H new ATOM 0 HG2 MET A 67 0.886 -8.745 -0.558 1.00 0.00 H new ATOM 0 HG3 MET A 67 1.321 -8.541 -2.244 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.294 -8.893 -3.063 1.00 0.00 H new ATOM 0 HE2 MET A 67 -1.856 -8.143 -1.510 1.00 0.00 H new ATOM 0 HE3 MET A 67 -0.829 -7.891 -2.941 1.00 0.00 H new ATOM 1027 N GLY A 68 4.352 -11.888 -0.463 1.00 0.00 N ATOM 1028 CA GLY A 68 5.269 -13.015 -0.452 1.00 0.00 C ATOM 1029 C GLY A 68 4.553 -14.307 -0.851 1.00 0.00 C ATOM 1030 O GLY A 68 4.742 -15.346 -0.219 1.00 0.00 O ATOM 0 H GLY A 68 4.646 -11.105 -1.046 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.093 -12.825 -1.139 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.702 -13.127 0.542 1.00 0.00 H new ATOM 1245 N ALA A 80 1.857 -9.343 -11.057 1.00 0.00 N ATOM 1246 CA ALA A 80 1.354 -8.866 -12.334 1.00 0.00 C ATOM 1247 C ALA A 80 0.362 -7.726 -12.093 1.00 0.00 C ATOM 1248 O ALA A 80 0.497 -6.649 -12.671 1.00 0.00 O ATOM 1249 CB ALA A 80 0.728 -10.031 -13.104 1.00 0.00 C ATOM 0 HA ALA A 80 2.167 -8.472 -12.944 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.351 -9.673 -14.062 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.481 -10.800 -13.275 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.094 -10.450 -12.524 1.00 0.00 H new ATOM 1255 N GLY A 81 -0.612 -8.003 -11.240 1.00 0.00 N ATOM 1256 CA GLY A 81 -1.627 -7.015 -10.915 1.00 0.00 C ATOM 1257 C GLY A 81 -1.027 -5.857 -10.114 1.00 0.00 C ATOM 1258 O GLY A 81 -1.193 -4.694 -10.477 1.00 0.00 O ATOM 0 H GLY A 81 -0.720 -8.898 -10.763 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.076 -6.634 -11.832 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.426 -7.484 -10.341 1.00 0.00 H new ATOM 1262 N LEU A 82 -0.343 -6.217 -9.038 1.00 0.00 N ATOM 1263 CA LEU A 82 0.282 -5.222 -8.182 1.00 0.00 C ATOM 1264 C LEU A 82 1.009 -4.193 -9.049 1.00 0.00 C ATOM 1265 O LEU A 82 0.540 -3.067 -9.207 1.00 0.00 O ATOM 1266 CB LEU A 82 1.182 -5.898 -7.145 1.00 0.00 C ATOM 1267 CG LEU A 82 2.160 -4.981 -6.407 1.00 0.00 C ATOM 1268 CD1 LEU A 82 1.997 -5.113 -4.891 1.00 0.00 C ATOM 1269 CD2 LEU A 82 3.600 -5.242 -6.853 1.00 0.00 C ATOM 0 H LEU A 82 -0.208 -7.183 -8.739 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.473 -4.681 -7.612 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.547 -6.389 -6.407 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.754 -6.680 -7.644 1.00 0.00 H new ATOM 0 HG LEU A 82 1.924 -3.949 -6.668 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.703 -4.451 -4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.980 -4.839 -4.609 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.191 -6.143 -4.593 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.274 -4.577 -6.313 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.865 -6.278 -6.641 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.688 -5.057 -7.924 1.00 0.00 H new ATOM 1281 N VAL A 83 2.142 -4.616 -9.589 1.00 0.00 N ATOM 1282 CA VAL A 83 2.938 -3.745 -10.437 1.00 0.00 C ATOM 1283 C VAL A 83 2.027 -3.064 -11.460 1.00 0.00 C ATOM 1284 O VAL A 83 1.997 -1.838 -11.551 1.00 0.00 O ATOM 1285 CB VAL A 83 4.075 -4.539 -11.084 1.00 0.00 C ATOM 1286 CG1 VAL A 83 4.647 -3.794 -12.291 1.00 0.00 C ATOM 1287 CG2 VAL A 83 5.171 -4.857 -10.065 1.00 0.00 C ATOM 0 H VAL A 83 2.528 -5.551 -9.456 1.00 0.00 H new ATOM 0 HA VAL A 83 3.405 -2.959 -9.844 1.00 0.00 H new ATOM 0 HB VAL A 83 3.664 -5.484 -11.439 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.453 -4.380 -12.732 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.861 -3.643 -13.031 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.035 -2.827 -11.971 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.967 -5.422 -10.551 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.577 -3.928 -9.666 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.751 -5.448 -9.252 1.00 0.00 H new ATOM 1297 N ALA A 84 1.307 -3.890 -12.205 1.00 0.00 N ATOM 1298 CA ALA A 84 0.397 -3.383 -13.218 1.00 0.00 C ATOM 1299 C ALA A 84 -0.352 -2.170 -12.664 1.00 0.00 C ATOM 1300 O ALA A 84 -0.656 -1.233 -13.401 1.00 0.00 O ATOM 1301 CB ALA A 84 -0.549 -4.501 -13.660 1.00 0.00 C ATOM 0 H ALA A 84 1.335 -4.907 -12.127 1.00 0.00 H new ATOM 0 HA ALA A 84 0.948 -3.055 -14.099 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.232 -4.121 -14.420 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.031 -5.326 -14.073 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -1.121 -4.854 -12.802 1.00 0.00 H new ATOM 1307 N GLY A 85 -0.630 -2.226 -11.369 1.00 0.00 N ATOM 1308 CA GLY A 85 -1.338 -1.144 -10.707 1.00 0.00 C ATOM 1309 C GLY A 85 -0.414 0.053 -10.472 1.00 0.00 C ATOM 1310 O GLY A 85 -0.788 1.193 -10.744 1.00 0.00 O ATOM 0 H GLY A 85 -0.377 -3.005 -10.761 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.190 -0.837 -11.314 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.735 -1.494 -9.754 1.00 0.00 H new ATOM 1314 N LEU A 86 0.775 -0.247 -9.971 1.00 0.00 N ATOM 1315 CA LEU A 86 1.755 0.790 -9.696 1.00 0.00 C ATOM 1316 C LEU A 86 1.987 1.615 -10.964 1.00 0.00 C ATOM 1317 O LEU A 86 2.158 2.831 -10.894 1.00 0.00 O ATOM 1318 CB LEU A 86 3.033 0.179 -9.118 1.00 0.00 C ATOM 1319 CG LEU A 86 4.244 0.149 -10.052 1.00 0.00 C ATOM 1320 CD1 LEU A 86 4.926 1.518 -10.110 1.00 0.00 C ATOM 1321 CD2 LEU A 86 5.219 -0.960 -9.650 1.00 0.00 C ATOM 0 H LEU A 86 1.082 -1.194 -9.748 1.00 0.00 H new ATOM 0 HA LEU A 86 1.383 1.474 -8.933 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.305 0.736 -8.221 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.815 -0.842 -8.806 1.00 0.00 H new ATOM 0 HG LEU A 86 3.893 -0.079 -11.059 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.784 1.469 -10.781 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.219 2.261 -10.478 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.262 1.800 -9.112 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.071 -0.960 -10.330 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.567 -0.787 -8.632 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.714 -1.925 -9.702 1.00 0.00 H new ATOM 1333 N SER A 87 1.984 0.920 -12.092 1.00 0.00 N ATOM 1334 CA SER A 87 2.192 1.573 -13.373 1.00 0.00 C ATOM 1335 C SER A 87 0.953 2.388 -13.752 1.00 0.00 C ATOM 1336 O SER A 87 1.047 3.589 -13.999 1.00 0.00 O ATOM 1337 CB SER A 87 2.511 0.552 -14.467 1.00 0.00 C ATOM 1338 OG SER A 87 2.961 1.177 -15.666 1.00 0.00 O ATOM 0 H SER A 87 1.841 -0.088 -12.145 1.00 0.00 H new ATOM 0 HA SER A 87 3.046 2.244 -13.280 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.276 -0.137 -14.108 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.622 -0.042 -14.679 1.00 0.00 H new ATOM 0 HG SER A 87 3.156 0.492 -16.339 1.00 0.00 H new ATOM 1344 N LEU A 88 -0.179 1.701 -13.788 1.00 0.00 N ATOM 1345 CA LEU A 88 -1.435 2.346 -14.132 1.00 0.00 C ATOM 1346 C LEU A 88 -1.585 3.630 -13.315 1.00 0.00 C ATOM 1347 O LEU A 88 -2.193 4.596 -13.776 1.00 0.00 O ATOM 1348 CB LEU A 88 -2.602 1.370 -13.965 1.00 0.00 C ATOM 1349 CG LEU A 88 -3.545 1.240 -15.163 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -3.722 -0.226 -15.564 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -4.884 1.924 -14.884 1.00 0.00 C ATOM 0 H LEU A 88 -0.253 0.704 -13.585 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.439 2.635 -15.183 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.196 0.384 -13.739 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.187 1.679 -13.099 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.093 1.754 -16.011 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.397 -0.291 -16.418 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.754 -0.649 -15.833 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.141 -0.784 -14.727 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.535 1.817 -15.752 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.355 1.461 -14.017 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.717 2.983 -14.684 1.00 0.00 H new ATOM 1363 N MET A 89 -1.022 3.600 -12.116 1.00 0.00 N ATOM 1364 CA MET A 89 -1.085 4.750 -11.231 1.00 0.00 C ATOM 1365 C MET A 89 -0.102 5.837 -11.671 1.00 0.00 C ATOM 1366 O MET A 89 -0.491 6.986 -11.873 1.00 0.00 O ATOM 1367 CB MET A 89 -0.757 4.313 -9.802 1.00 0.00 C ATOM 1368 CG MET A 89 -1.201 5.371 -8.789 1.00 0.00 C ATOM 1369 SD MET A 89 0.170 5.825 -7.740 1.00 0.00 S ATOM 1370 CE MET A 89 0.973 7.030 -8.784 1.00 0.00 C ATOM 0 H MET A 89 -0.520 2.797 -11.737 1.00 0.00 H new ATOM 0 HA MET A 89 -2.094 5.161 -11.273 1.00 0.00 H new ATOM 0 HB2 MET A 89 -1.252 3.366 -9.585 1.00 0.00 H new ATOM 0 HB3 MET A 89 0.315 4.141 -9.708 1.00 0.00 H new ATOM 0 HG2 MET A 89 -1.577 6.251 -9.311 1.00 0.00 H new ATOM 0 HG3 MET A 89 -2.021 4.985 -8.183 1.00 0.00 H new ATOM 0 HE1 MET A 89 1.461 7.782 -8.163 1.00 0.00 H new ATOM 0 HE2 MET A 89 1.718 6.534 -9.406 1.00 0.00 H new ATOM 0 HE3 MET A 89 0.231 7.511 -9.421 1.00 0.00 H new ATOM 1380 N MET A 90 1.153 5.434 -11.808 1.00 0.00 N ATOM 1381 CA MET A 90 2.194 6.359 -12.221 1.00 0.00 C ATOM 1382 C MET A 90 1.774 7.135 -13.472 1.00 0.00 C ATOM 1383 O MET A 90 2.181 8.280 -13.662 1.00 0.00 O ATOM 1384 CB MET A 90 3.481 5.584 -12.510 1.00 0.00 C ATOM 1385 CG MET A 90 4.507 6.469 -13.220 1.00 0.00 C ATOM 1386 SD MET A 90 4.704 5.939 -14.913 1.00 0.00 S ATOM 1387 CE MET A 90 5.623 4.429 -14.660 1.00 0.00 C ATOM 0 H MET A 90 1.472 4.480 -11.640 1.00 0.00 H new ATOM 0 HA MET A 90 2.362 7.071 -11.413 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.902 5.210 -11.577 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.255 4.715 -13.128 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.183 7.509 -13.191 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.464 6.418 -12.701 1.00 0.00 H new ATOM 0 HE1 MET A 90 6.089 4.125 -15.597 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.395 4.594 -13.908 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.947 3.644 -14.320 1.00 0.00 H new ATOM 1397 N ILE A 91 0.966 6.480 -14.292 1.00 0.00 N ATOM 1398 CA ILE A 91 0.487 7.093 -15.519 1.00 0.00 C ATOM 1399 C ILE A 91 -0.768 7.915 -15.217 1.00 0.00 C ATOM 1400 O ILE A 91 -0.936 9.014 -15.743 1.00 0.00 O ATOM 1401 CB ILE A 91 0.282 6.034 -16.604 1.00 0.00 C ATOM 1402 CG1 ILE A 91 0.030 6.685 -17.965 1.00 0.00 C ATOM 1403 CG2 ILE A 91 -0.835 5.063 -16.217 1.00 0.00 C ATOM 1404 CD1 ILE A 91 0.593 5.823 -19.097 1.00 0.00 C ATOM 0 H ILE A 91 0.631 5.530 -14.131 1.00 0.00 H new ATOM 0 HA ILE A 91 1.232 7.782 -15.916 1.00 0.00 H new ATOM 0 HB ILE A 91 1.199 5.452 -16.691 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.041 6.829 -18.111 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.491 7.672 -17.991 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.961 4.320 -17.005 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.575 4.562 -15.284 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.766 5.614 -16.086 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.401 6.308 -20.054 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.668 5.701 -18.961 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.112 4.845 -19.083 1.00 0.00 H new ATOM 1416 N LEU A 92 -1.616 7.350 -14.370 1.00 0.00 N ATOM 1417 CA LEU A 92 -2.850 8.017 -13.991 1.00 0.00 C ATOM 1418 C LEU A 92 -2.518 9.330 -13.280 1.00 0.00 C ATOM 1419 O LEU A 92 -3.368 10.213 -13.172 1.00 0.00 O ATOM 1420 CB LEU A 92 -3.735 7.079 -13.168 1.00 0.00 C ATOM 1421 CG LEU A 92 -4.542 7.732 -12.045 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -5.665 6.808 -11.567 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -3.630 8.167 -10.896 1.00 0.00 C ATOM 0 H LEU A 92 -1.473 6.438 -13.936 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.432 8.272 -14.876 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.429 6.580 -13.844 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.103 6.305 -12.732 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.012 8.632 -12.442 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.223 7.297 -10.768 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.336 6.591 -12.398 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.237 5.878 -11.194 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.229 8.628 -10.111 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.112 7.297 -10.493 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.899 8.886 -11.264 1.00 0.00 H new ATOM 1435 N ARG A 93 -1.281 9.418 -12.814 1.00 0.00 N ATOM 1436 CA ARG A 93 -0.827 10.608 -12.116 1.00 0.00 C ATOM 1437 C ARG A 93 -0.048 11.517 -13.069 1.00 0.00 C ATOM 1438 O ARG A 93 -0.283 12.724 -13.113 1.00 0.00 O ATOM 1439 CB ARG A 93 0.065 10.244 -10.928 1.00 0.00 C ATOM 1440 CG ARG A 93 -0.673 10.455 -9.604 1.00 0.00 C ATOM 1441 CD ARG A 93 0.219 11.171 -8.587 1.00 0.00 C ATOM 1442 NE ARG A 93 -0.614 11.951 -7.645 1.00 0.00 N ATOM 1443 CZ ARG A 93 -1.074 13.185 -7.894 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -0.786 13.786 -9.056 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -1.823 13.817 -6.980 1.00 0.00 N ATOM 0 H ARG A 93 -0.579 8.684 -12.906 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.709 11.132 -11.747 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.381 9.204 -11.011 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.968 10.854 -10.946 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.576 11.040 -9.776 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.989 9.492 -9.202 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.817 10.443 -8.039 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.915 11.832 -9.103 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.853 11.523 -6.751 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.216 13.304 -9.752 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.136 14.725 -9.245 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -2.043 13.359 -6.096 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.173 14.756 -7.169 1.00 0.00 H new ATOM 1459 N LEU A 94 0.864 10.903 -13.809 1.00 0.00 N ATOM 1460 CA LEU A 94 1.679 11.641 -14.759 1.00 0.00 C ATOM 1461 C LEU A 94 0.781 12.217 -15.855 1.00 0.00 C ATOM 1462 O LEU A 94 1.202 13.090 -16.613 1.00 0.00 O ATOM 1463 CB LEU A 94 2.812 10.761 -15.291 1.00 0.00 C ATOM 1464 CG LEU A 94 3.834 11.456 -16.193 1.00 0.00 C ATOM 1465 CD1 LEU A 94 5.230 10.861 -15.999 1.00 0.00 C ATOM 1466 CD2 LEU A 94 3.391 11.413 -17.657 1.00 0.00 C ATOM 0 H LEU A 94 1.056 9.902 -13.770 1.00 0.00 H new ATOM 0 HA LEU A 94 2.166 12.484 -14.269 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.341 10.331 -14.441 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.372 9.932 -15.845 1.00 0.00 H new ATOM 0 HG LEU A 94 3.888 12.505 -15.903 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.937 11.373 -16.652 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.538 10.986 -14.961 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.211 9.800 -16.246 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.135 11.914 -18.277 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.291 10.376 -17.977 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.431 11.919 -17.762 1.00 0.00 H new ATOM 1478 N VAL A 95 -0.440 11.705 -15.906 1.00 0.00 N ATOM 1479 CA VAL A 95 -1.401 12.157 -16.897 1.00 0.00 C ATOM 1480 C VAL A 95 -1.893 13.557 -16.523 1.00 0.00 C ATOM 1481 O VAL A 95 -1.647 14.520 -17.248 1.00 0.00 O ATOM 1482 CB VAL A 95 -2.536 11.140 -17.028 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -3.795 11.794 -17.600 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -2.105 9.944 -17.880 1.00 0.00 C ATOM 0 H VAL A 95 -0.786 10.981 -15.276 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.932 12.228 -17.878 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.773 10.773 -16.030 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.586 11.049 -17.683 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.120 12.597 -16.939 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.577 12.202 -18.587 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.930 9.236 -17.957 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.828 10.288 -18.876 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.250 9.455 -17.414 1.00 0.00 H new ATOM 1494 N LEU A 96 -2.579 13.625 -15.391 1.00 0.00 N ATOM 1495 CA LEU A 96 -3.107 14.891 -14.912 1.00 0.00 C ATOM 1496 C LEU A 96 -2.019 15.962 -15.008 1.00 0.00 C ATOM 1497 O LEU A 96 -2.316 17.135 -15.228 1.00 0.00 O ATOM 1498 CB LEU A 96 -3.690 14.730 -13.506 1.00 0.00 C ATOM 1499 CG LEU A 96 -2.687 14.798 -12.353 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -2.977 15.993 -11.444 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -2.656 13.480 -11.575 1.00 0.00 C ATOM 0 H LEU A 96 -2.781 12.824 -14.792 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.935 15.221 -15.540 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.441 15.505 -13.354 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.207 13.772 -13.456 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.693 14.947 -12.774 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.250 16.018 -10.633 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.908 16.915 -12.022 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.980 15.899 -11.029 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.935 13.555 -10.761 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.645 13.276 -11.166 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.365 12.670 -12.244 1.00 0.00 H new