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 Set 1.1: A 56 SER OG : rot -157:sc= 0.606 USER MOD Set 1.2: A 89 MET CE :methyl 143:sc= -4.63 (180deg=-9.2!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 90:sc= 0.33 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= 0.993 USER MOD Single : A 65 THR OG1 : rot -29:sc= 0.166 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -127:sc= -7.39! (180deg=-11.6!) USER MOD ----------------------------------------------------------------- ATOM 102 N TYR A 8 -7.597 -1.801 20.827 1.00 0.00 N ATOM 103 CA TYR A 8 -7.066 -2.801 19.917 1.00 0.00 C ATOM 104 C TYR A 8 -8.012 -3.999 19.805 1.00 0.00 C ATOM 105 O TYR A 8 -8.415 -4.375 18.706 1.00 0.00 O ATOM 106 CB TYR A 8 -5.743 -3.267 20.528 1.00 0.00 C ATOM 107 CG TYR A 8 -4.855 -4.056 19.563 1.00 0.00 C ATOM 108 CD1 TYR A 8 -4.017 -3.388 18.694 1.00 0.00 C ATOM 109 CD2 TYR A 8 -4.893 -5.436 19.563 1.00 0.00 C ATOM 110 CE1 TYR A 8 -3.181 -4.131 17.786 1.00 0.00 C ATOM 111 CE2 TYR A 8 -4.057 -6.178 18.655 1.00 0.00 C ATOM 112 CZ TYR A 8 -3.243 -5.489 17.811 1.00 0.00 C ATOM 113 OH TYR A 8 -2.454 -6.191 16.954 1.00 0.00 O ATOM 0 HA TYR A 8 -6.941 -2.383 18.918 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -5.192 -2.396 20.883 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.955 -3.887 21.399 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -3.988 -2.308 18.694 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -5.549 -5.959 20.243 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.520 -3.621 17.101 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -4.076 -7.258 18.645 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.603 -7.151 17.084 1.00 0.00 H new ATOM 123 N ALA A 9 -8.338 -4.564 20.958 1.00 0.00 N ATOM 124 CA ALA A 9 -9.229 -5.711 21.003 1.00 0.00 C ATOM 125 C ALA A 9 -10.621 -5.289 20.527 1.00 0.00 C ATOM 126 O ALA A 9 -11.419 -6.128 20.113 1.00 0.00 O ATOM 127 CB ALA A 9 -9.248 -6.287 22.421 1.00 0.00 C ATOM 0 H ALA A 9 -8.001 -4.249 21.868 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.876 -6.497 20.336 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.916 -7.147 22.455 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.241 -6.598 22.701 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.600 -5.526 23.118 1.00 0.00 H new ATOM 133 N ALA A 10 -10.869 -3.990 20.603 1.00 0.00 N ATOM 134 CA ALA A 10 -12.150 -3.447 20.185 1.00 0.00 C ATOM 135 C ALA A 10 -12.312 -3.640 18.676 1.00 0.00 C ATOM 136 O ALA A 10 -13.186 -4.383 18.232 1.00 0.00 O ATOM 137 CB ALA A 10 -12.241 -1.977 20.598 1.00 0.00 C ATOM 0 H ALA A 10 -10.204 -3.297 20.948 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.969 -3.974 20.675 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.202 -1.570 20.284 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.149 -1.897 21.681 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.437 -1.415 20.123 1.00 0.00 H new ATOM 143 N LEU A 11 -11.458 -2.956 17.929 1.00 0.00 N ATOM 144 CA LEU A 11 -11.496 -3.043 16.479 1.00 0.00 C ATOM 145 C LEU A 11 -11.351 -4.506 16.055 1.00 0.00 C ATOM 146 O LEU A 11 -12.006 -4.952 15.114 1.00 0.00 O ATOM 147 CB LEU A 11 -10.447 -2.117 15.859 1.00 0.00 C ATOM 148 CG LEU A 11 -8.986 -2.517 16.078 1.00 0.00 C ATOM 149 CD1 LEU A 11 -8.518 -3.495 14.999 1.00 0.00 C ATOM 150 CD2 LEU A 11 -8.087 -1.282 16.161 1.00 0.00 C ATOM 0 H LEU A 11 -10.736 -2.339 18.301 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.458 -2.696 16.102 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.630 -2.060 14.786 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.593 -1.115 16.261 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.913 -3.034 17.035 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.477 -3.763 15.178 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.135 -4.393 15.030 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.609 -3.026 14.019 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.054 -1.594 16.317 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.159 -0.716 15.232 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.406 -0.655 16.993 1.00 0.00 H new ATOM 162 N VAL A 12 -10.489 -5.214 16.771 1.00 0.00 N ATOM 163 CA VAL A 12 -10.250 -6.617 16.482 1.00 0.00 C ATOM 164 C VAL A 12 -11.581 -7.371 16.501 1.00 0.00 C ATOM 165 O VAL A 12 -11.899 -8.101 15.563 1.00 0.00 O ATOM 166 CB VAL A 12 -9.226 -7.187 17.465 1.00 0.00 C ATOM 167 CG1 VAL A 12 -9.114 -8.707 17.321 1.00 0.00 C ATOM 168 CG2 VAL A 12 -7.862 -6.518 17.285 1.00 0.00 C ATOM 0 H VAL A 12 -9.948 -4.841 17.551 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.824 -6.734 15.486 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.575 -6.971 18.475 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.379 -9.087 18.031 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.083 -9.164 17.522 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.800 -8.954 16.307 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.152 -6.941 17.996 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.504 -6.689 16.270 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.956 -5.446 17.461 1.00 0.00 H new ATOM 178 N THR A 13 -12.324 -7.169 17.579 1.00 0.00 N ATOM 179 CA THR A 13 -13.614 -7.820 17.733 1.00 0.00 C ATOM 180 C THR A 13 -14.569 -7.381 16.621 1.00 0.00 C ATOM 181 O THR A 13 -15.359 -8.182 16.125 1.00 0.00 O ATOM 182 CB THR A 13 -14.134 -7.512 19.138 1.00 0.00 C ATOM 183 OG1 THR A 13 -13.359 -8.353 19.988 1.00 0.00 O ATOM 184 CG2 THR A 13 -15.572 -7.994 19.349 1.00 0.00 C ATOM 0 H THR A 13 -12.057 -6.563 18.355 1.00 0.00 H new ATOM 0 HA THR A 13 -13.526 -8.902 17.634 1.00 0.00 H new ATOM 0 HB THR A 13 -14.080 -6.438 19.317 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.549 -7.878 20.268 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.892 -7.751 20.362 1.00 0.00 H new ATOM 0 HG22 THR A 13 -16.230 -7.502 18.632 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.619 -9.073 19.203 1.00 0.00 H new ATOM 192 N PHE A 14 -14.465 -6.110 16.263 1.00 0.00 N ATOM 193 CA PHE A 14 -15.310 -5.555 15.220 1.00 0.00 C ATOM 194 C PHE A 14 -15.075 -6.269 13.887 1.00 0.00 C ATOM 195 O PHE A 14 -16.015 -6.776 13.277 1.00 0.00 O ATOM 196 CB PHE A 14 -14.925 -4.081 15.070 1.00 0.00 C ATOM 197 CG PHE A 14 -16.064 -3.189 14.572 1.00 0.00 C ATOM 198 CD1 PHE A 14 -17.223 -3.108 15.278 1.00 0.00 C ATOM 199 CD2 PHE A 14 -15.917 -2.477 13.423 1.00 0.00 C ATOM 200 CE1 PHE A 14 -18.280 -2.280 14.816 1.00 0.00 C ATOM 201 CE2 PHE A 14 -16.974 -1.648 12.960 1.00 0.00 C ATOM 202 CZ PHE A 14 -18.133 -1.568 13.667 1.00 0.00 C ATOM 0 H PHE A 14 -13.808 -5.448 16.677 1.00 0.00 H new ATOM 0 HA PHE A 14 -16.360 -5.677 15.487 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -14.578 -3.707 16.033 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -14.087 -4.003 14.377 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -17.340 -3.674 16.191 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -14.996 -2.542 12.862 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -19.201 -2.216 15.377 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -16.857 -1.082 12.048 1.00 0.00 H new ATOM 0 HZ PHE A 14 -18.937 -0.939 13.316 1.00 0.00 H new ATOM 212 N GLY A 15 -13.816 -6.285 13.474 1.00 0.00 N ATOM 213 CA GLY A 15 -13.447 -6.929 12.225 1.00 0.00 C ATOM 214 C GLY A 15 -13.672 -8.440 12.299 1.00 0.00 C ATOM 215 O GLY A 15 -13.880 -9.091 11.276 1.00 0.00 O ATOM 0 H GLY A 15 -13.039 -5.862 13.982 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -14.035 -6.510 11.408 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -12.400 -6.724 12.002 1.00 0.00 H new ATOM 219 N SER A 16 -13.624 -8.954 13.519 1.00 0.00 N ATOM 220 CA SER A 16 -13.820 -10.377 13.740 1.00 0.00 C ATOM 221 C SER A 16 -15.267 -10.761 13.424 1.00 0.00 C ATOM 222 O SER A 16 -15.515 -11.752 12.740 1.00 0.00 O ATOM 223 CB SER A 16 -13.470 -10.765 15.178 1.00 0.00 C ATOM 224 OG SER A 16 -12.364 -11.661 15.235 1.00 0.00 O ATOM 0 H SER A 16 -13.452 -8.411 14.365 1.00 0.00 H new ATOM 0 HA SER A 16 -13.152 -10.922 13.073 1.00 0.00 H new ATOM 0 HB2 SER A 16 -13.238 -9.866 15.750 1.00 0.00 H new ATOM 0 HB3 SER A 16 -14.337 -11.228 15.650 1.00 0.00 H new ATOM 0 HG SER A 16 -12.171 -11.883 16.170 1.00 0.00 H new ATOM 230 N ILE A 17 -16.185 -9.955 13.938 1.00 0.00 N ATOM 231 CA ILE A 17 -17.601 -10.198 13.719 1.00 0.00 C ATOM 232 C ILE A 17 -17.940 -9.925 12.252 1.00 0.00 C ATOM 233 O ILE A 17 -18.356 -10.830 11.530 1.00 0.00 O ATOM 234 CB ILE A 17 -18.442 -9.385 14.706 1.00 0.00 C ATOM 235 CG1 ILE A 17 -18.182 -9.832 16.146 1.00 0.00 C ATOM 236 CG2 ILE A 17 -19.928 -9.453 14.345 1.00 0.00 C ATOM 237 CD1 ILE A 17 -18.733 -8.812 17.144 1.00 0.00 C ATOM 0 H ILE A 17 -15.976 -9.133 14.505 1.00 0.00 H new ATOM 0 HA ILE A 17 -17.843 -11.243 13.913 1.00 0.00 H new ATOM 0 HB ILE A 17 -18.139 -8.340 14.633 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -18.646 -10.803 16.319 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -17.111 -9.959 16.304 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -20.504 -8.867 15.062 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -20.078 -9.050 13.343 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -20.262 -10.490 14.373 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -18.535 -9.154 18.160 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -18.249 -7.849 16.984 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -19.808 -8.706 17.000 1.00 0.00 H new ATOM 249 N PHE A 18 -17.750 -8.676 11.856 1.00 0.00 N ATOM 250 CA PHE A 18 -18.030 -8.273 10.489 1.00 0.00 C ATOM 251 C PHE A 18 -17.505 -9.309 9.493 1.00 0.00 C ATOM 252 O PHE A 18 -18.234 -9.748 8.605 1.00 0.00 O ATOM 253 CB PHE A 18 -17.306 -6.946 10.255 1.00 0.00 C ATOM 254 CG PHE A 18 -18.241 -5.750 10.067 1.00 0.00 C ATOM 255 CD1 PHE A 18 -19.048 -5.351 11.087 1.00 0.00 C ATOM 256 CD2 PHE A 18 -18.267 -5.087 8.880 1.00 0.00 C ATOM 257 CE1 PHE A 18 -19.917 -4.242 10.912 1.00 0.00 C ATOM 258 CE2 PHE A 18 -19.135 -3.977 8.706 1.00 0.00 C ATOM 259 CZ PHE A 18 -19.942 -3.578 9.725 1.00 0.00 C ATOM 0 H PHE A 18 -17.405 -7.929 12.459 1.00 0.00 H new ATOM 0 HA PHE A 18 -19.106 -8.180 10.343 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -16.647 -6.749 11.101 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -16.672 -7.041 9.373 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -19.028 -5.878 12.030 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -17.627 -5.405 8.070 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -20.558 -3.926 11.721 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -19.154 -3.449 7.764 1.00 0.00 H new ATOM 0 HZ PHE A 18 -20.603 -2.734 9.592 1.00 0.00 H new ATOM 441 N ILE A 30 -5.066 -5.734 -11.001 1.00 0.00 N ATOM 442 CA ILE A 30 -6.105 -4.947 -10.359 1.00 0.00 C ATOM 443 C ILE A 30 -5.765 -4.775 -8.877 1.00 0.00 C ATOM 444 O ILE A 30 -6.232 -3.836 -8.234 1.00 0.00 O ATOM 445 CB ILE A 30 -7.480 -5.571 -10.606 1.00 0.00 C ATOM 446 CG1 ILE A 30 -7.581 -6.951 -9.954 1.00 0.00 C ATOM 447 CG2 ILE A 30 -7.799 -5.619 -12.102 1.00 0.00 C ATOM 448 CD1 ILE A 30 -7.950 -6.833 -8.474 1.00 0.00 C ATOM 0 HA ILE A 30 -6.151 -3.949 -10.794 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.232 -4.937 -10.136 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.331 -7.548 -10.473 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.631 -7.475 -10.055 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.782 -6.067 -12.250 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.796 -4.607 -12.507 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.046 -6.217 -12.615 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.015 -7.828 -8.035 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.186 -6.256 -7.953 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.912 -6.330 -8.378 1.00 0.00 H new ATOM 460 N ALA A 31 -4.955 -5.697 -8.378 1.00 0.00 N ATOM 461 CA ALA A 31 -4.547 -5.659 -6.983 1.00 0.00 C ATOM 462 C ALA A 31 -3.654 -4.439 -6.751 1.00 0.00 C ATOM 463 O ALA A 31 -3.988 -3.563 -5.955 1.00 0.00 O ATOM 464 CB ALA A 31 -3.850 -6.971 -6.619 1.00 0.00 C ATOM 0 H ALA A 31 -4.570 -6.475 -8.914 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.415 -5.560 -6.331 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.544 -6.943 -5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.537 -7.803 -6.774 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.972 -7.104 -7.250 1.00 0.00 H new ATOM 470 N GLY A 32 -2.535 -4.421 -7.460 1.00 0.00 N ATOM 471 CA GLY A 32 -1.590 -3.324 -7.341 1.00 0.00 C ATOM 472 C GLY A 32 -2.257 -1.988 -7.676 1.00 0.00 C ATOM 473 O GLY A 32 -2.056 -0.997 -6.976 1.00 0.00 O ATOM 0 H GLY A 32 -2.261 -5.149 -8.120 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.191 -3.291 -6.327 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.746 -3.492 -8.011 1.00 0.00 H new ATOM 477 N LEU A 33 -3.037 -2.005 -8.747 1.00 0.00 N ATOM 478 CA LEU A 33 -3.734 -0.807 -9.184 1.00 0.00 C ATOM 479 C LEU A 33 -4.597 -0.278 -8.037 1.00 0.00 C ATOM 480 O LEU A 33 -4.606 0.922 -7.764 1.00 0.00 O ATOM 481 CB LEU A 33 -4.520 -1.083 -10.468 1.00 0.00 C ATOM 482 CG LEU A 33 -5.598 -0.058 -10.827 1.00 0.00 C ATOM 483 CD1 LEU A 33 -5.312 0.584 -12.186 1.00 0.00 C ATOM 484 CD2 LEU A 33 -6.992 -0.686 -10.772 1.00 0.00 C ATOM 0 H LEU A 33 -3.202 -2.829 -9.325 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.021 -0.022 -9.436 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.814 -1.144 -11.297 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.992 -2.061 -10.378 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.574 0.738 -10.083 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.093 1.308 -12.418 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.346 1.089 -12.154 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.293 -0.187 -12.956 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.739 0.064 -11.031 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.047 -1.513 -11.480 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.184 -1.057 -9.765 1.00 0.00 H new ATOM 496 N PHE A 34 -5.302 -1.198 -7.395 1.00 0.00 N ATOM 497 CA PHE A 34 -6.166 -0.840 -6.283 1.00 0.00 C ATOM 498 C PHE A 34 -5.362 -0.203 -5.148 1.00 0.00 C ATOM 499 O PHE A 34 -5.770 0.813 -4.587 1.00 0.00 O ATOM 500 CB PHE A 34 -6.804 -2.134 -5.777 1.00 0.00 C ATOM 501 CG PHE A 34 -7.933 -1.918 -4.767 1.00 0.00 C ATOM 502 CD1 PHE A 34 -9.112 -1.373 -5.170 1.00 0.00 C ATOM 503 CD2 PHE A 34 -7.757 -2.270 -3.465 1.00 0.00 C ATOM 504 CE1 PHE A 34 -10.159 -1.172 -4.232 1.00 0.00 C ATOM 505 CE2 PHE A 34 -8.804 -2.070 -2.527 1.00 0.00 C ATOM 506 CZ PHE A 34 -9.983 -1.525 -2.931 1.00 0.00 C ATOM 0 H PHE A 34 -5.292 -2.192 -7.624 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.915 -0.119 -6.611 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -7.194 -2.692 -6.628 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.033 -2.752 -5.317 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -9.252 -1.093 -6.204 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.820 -2.702 -3.145 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -11.095 -0.739 -4.552 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.664 -2.350 -1.493 1.00 0.00 H new ATOM 0 HZ PHE A 34 -10.780 -1.373 -2.218 1.00 0.00 H new ATOM 516 N VAL A 35 -4.234 -0.828 -4.841 1.00 0.00 N ATOM 517 CA VAL A 35 -3.370 -0.335 -3.782 1.00 0.00 C ATOM 518 C VAL A 35 -2.816 1.035 -4.178 1.00 0.00 C ATOM 519 O VAL A 35 -2.625 1.901 -3.326 1.00 0.00 O ATOM 520 CB VAL A 35 -2.274 -1.360 -3.482 1.00 0.00 C ATOM 521 CG1 VAL A 35 -1.334 -0.852 -2.387 1.00 0.00 C ATOM 522 CG2 VAL A 35 -2.878 -2.713 -3.103 1.00 0.00 C ATOM 0 H VAL A 35 -3.899 -1.671 -5.307 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.934 -0.202 -2.859 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.687 -1.499 -4.390 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.564 -1.599 -2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.865 0.076 -2.712 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.902 -0.671 -1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.078 -3.423 -2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.501 -2.598 -2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.487 -3.084 -3.928 1.00 0.00 H new ATOM 532 N GLY A 36 -2.572 1.188 -5.471 1.00 0.00 N ATOM 533 CA GLY A 36 -2.043 2.438 -5.991 1.00 0.00 C ATOM 534 C GLY A 36 -3.086 3.553 -5.903 1.00 0.00 C ATOM 535 O GLY A 36 -2.758 4.690 -5.569 1.00 0.00 O ATOM 0 H GLY A 36 -2.731 0.467 -6.175 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.153 2.722 -5.429 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.736 2.304 -7.028 1.00 0.00 H new ATOM 539 N CYS A 37 -4.323 3.188 -6.209 1.00 0.00 N ATOM 540 CA CYS A 37 -5.417 4.144 -6.169 1.00 0.00 C ATOM 541 C CYS A 37 -5.618 4.583 -4.717 1.00 0.00 C ATOM 542 O CYS A 37 -5.540 5.771 -4.407 1.00 0.00 O ATOM 543 CB CYS A 37 -6.697 3.564 -6.773 1.00 0.00 C ATOM 544 SG CYS A 37 -7.769 4.916 -7.385 1.00 0.00 S ATOM 0 H CYS A 37 -4.592 2.244 -6.486 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.168 5.012 -6.779 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.449 2.887 -7.591 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.229 2.978 -6.024 1.00 0.00 H new ATOM 0 HG CYS A 37 -8.852 4.413 -7.898 1.00 0.00 H new ATOM 550 N LEU A 38 -5.874 3.600 -3.866 1.00 0.00 N ATOM 551 CA LEU A 38 -6.087 3.870 -2.454 1.00 0.00 C ATOM 552 C LEU A 38 -4.825 4.500 -1.863 1.00 0.00 C ATOM 553 O LEU A 38 -4.891 5.205 -0.857 1.00 0.00 O ATOM 554 CB LEU A 38 -6.539 2.601 -1.728 1.00 0.00 C ATOM 555 CG LEU A 38 -5.518 1.463 -1.668 1.00 0.00 C ATOM 556 CD1 LEU A 38 -4.609 1.607 -0.446 1.00 0.00 C ATOM 557 CD2 LEU A 38 -6.212 0.101 -1.708 1.00 0.00 C ATOM 0 H LEU A 38 -5.939 2.616 -4.127 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.895 4.590 -2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.816 2.869 -0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.440 2.229 -2.215 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.883 1.527 -2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.893 0.786 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.073 2.555 -0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.213 1.583 0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.464 -0.690 -1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.886 0.011 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.782 0.010 -2.633 1.00 0.00 H new ATOM 569 N ALA A 39 -3.704 4.222 -2.513 1.00 0.00 N ATOM 570 CA ALA A 39 -2.428 4.753 -2.064 1.00 0.00 C ATOM 571 C ALA A 39 -2.430 6.275 -2.218 1.00 0.00 C ATOM 572 O ALA A 39 -2.153 7.000 -1.264 1.00 0.00 O ATOM 573 CB ALA A 39 -1.294 4.089 -2.848 1.00 0.00 C ATOM 0 H ALA A 39 -3.653 3.636 -3.347 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.270 4.529 -1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.337 4.487 -2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.318 3.012 -2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.418 4.294 -3.911 1.00 0.00 H new ATOM 579 N GLY A 40 -2.746 6.715 -3.428 1.00 0.00 N ATOM 580 CA GLY A 40 -2.789 8.137 -3.720 1.00 0.00 C ATOM 581 C GLY A 40 -3.963 8.809 -3.005 1.00 0.00 C ATOM 582 O GLY A 40 -3.764 9.686 -2.165 1.00 0.00 O ATOM 0 H GLY A 40 -2.975 6.111 -4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.854 8.604 -3.410 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.879 8.288 -4.796 1.00 0.00 H new ATOM 768 N ASP A 52 3.909 11.497 -6.461 1.00 0.00 N ATOM 769 CA ASP A 52 3.192 11.115 -7.666 1.00 0.00 C ATOM 770 C ASP A 52 3.351 9.611 -7.894 1.00 0.00 C ATOM 771 O ASP A 52 2.394 8.852 -7.746 1.00 0.00 O ATOM 772 CB ASP A 52 3.751 11.841 -8.892 1.00 0.00 C ATOM 773 CG ASP A 52 2.705 12.550 -9.756 1.00 0.00 C ATOM 774 OD1 ASP A 52 1.998 11.773 -10.504 1.00 0.00 O ATOM 775 OD2 ASP A 52 2.573 13.782 -9.715 1.00 0.00 O ATOM 0 HA ASP A 52 2.144 11.383 -7.534 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.483 12.576 -8.558 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.284 11.119 -9.512 1.00 0.00 H new ATOM 780 N VAL A 53 4.567 9.224 -8.251 1.00 0.00 N ATOM 781 CA VAL A 53 4.863 7.823 -8.501 1.00 0.00 C ATOM 782 C VAL A 53 5.710 7.273 -7.352 1.00 0.00 C ATOM 783 O VAL A 53 5.907 6.063 -7.245 1.00 0.00 O ATOM 784 CB VAL A 53 5.535 7.666 -9.867 1.00 0.00 C ATOM 785 CG1 VAL A 53 5.650 6.191 -10.255 1.00 0.00 C ATOM 786 CG2 VAL A 53 4.787 8.459 -10.940 1.00 0.00 C ATOM 0 H VAL A 53 5.358 9.856 -8.373 1.00 0.00 H new ATOM 0 HA VAL A 53 3.944 7.239 -8.537 1.00 0.00 H new ATOM 0 HB VAL A 53 6.544 8.072 -9.793 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.131 6.108 -11.230 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.246 5.664 -9.510 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.655 5.749 -10.302 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.285 8.330 -11.901 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.761 8.097 -11.011 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.781 9.516 -10.673 1.00 0.00 H new ATOM 796 N LYS A 54 6.187 8.187 -6.520 1.00 0.00 N ATOM 797 CA LYS A 54 7.008 7.808 -5.382 1.00 0.00 C ATOM 798 C LYS A 54 6.239 6.810 -4.514 1.00 0.00 C ATOM 799 O LYS A 54 6.761 5.751 -4.169 1.00 0.00 O ATOM 800 CB LYS A 54 7.477 9.050 -4.622 1.00 0.00 C ATOM 801 CG LYS A 54 8.893 8.857 -4.077 1.00 0.00 C ATOM 802 CD LYS A 54 9.773 10.068 -4.394 1.00 0.00 C ATOM 803 CE LYS A 54 11.216 9.831 -3.944 1.00 0.00 C ATOM 804 NZ LYS A 54 11.908 11.120 -3.722 1.00 0.00 N ATOM 0 H LYS A 54 6.021 9.189 -6.611 1.00 0.00 H new ATOM 0 HA LYS A 54 7.916 7.307 -5.718 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.453 9.916 -5.283 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.792 9.258 -3.800 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.854 8.704 -2.998 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.334 7.959 -4.510 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.751 10.268 -5.465 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.374 10.952 -3.897 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.225 9.244 -3.026 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.748 9.251 -4.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.886 10.941 -3.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.916 11.667 -4.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.409 11.660 -2.986 1.00 0.00 H new ATOM 818 N VAL A 55 5.011 7.182 -4.186 1.00 0.00 N ATOM 819 CA VAL A 55 4.165 6.333 -3.365 1.00 0.00 C ATOM 820 C VAL A 55 3.881 5.029 -4.113 1.00 0.00 C ATOM 821 O VAL A 55 3.692 3.982 -3.494 1.00 0.00 O ATOM 822 CB VAL A 55 2.892 7.086 -2.971 1.00 0.00 C ATOM 823 CG1 VAL A 55 2.061 7.441 -4.206 1.00 0.00 C ATOM 824 CG2 VAL A 55 2.066 6.278 -1.968 1.00 0.00 C ATOM 0 H VAL A 55 4.581 8.061 -4.474 1.00 0.00 H new ATOM 0 HA VAL A 55 4.672 6.072 -2.436 1.00 0.00 H new ATOM 0 HB VAL A 55 3.189 8.017 -2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.162 7.975 -3.898 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.649 8.073 -4.871 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.779 6.528 -4.730 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.167 6.835 -1.704 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.784 5.324 -2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.658 6.098 -1.070 1.00 0.00 H new ATOM 834 N SER A 56 3.858 5.133 -5.433 1.00 0.00 N ATOM 835 CA SER A 56 3.600 3.975 -6.272 1.00 0.00 C ATOM 836 C SER A 56 4.656 2.898 -6.016 1.00 0.00 C ATOM 837 O SER A 56 4.327 1.785 -5.609 1.00 0.00 O ATOM 838 CB SER A 56 3.582 4.360 -7.753 1.00 0.00 C ATOM 839 OG SER A 56 2.544 3.692 -8.465 1.00 0.00 O ATOM 0 H SER A 56 4.014 6.002 -5.943 1.00 0.00 H new ATOM 0 HA SER A 56 2.617 3.579 -6.016 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.450 5.438 -7.846 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.545 4.117 -8.203 1.00 0.00 H new ATOM 0 HG SER A 56 2.767 3.664 -9.419 1.00 0.00 H new ATOM 845 N LEU A 57 5.904 3.267 -6.266 1.00 0.00 N ATOM 846 CA LEU A 57 7.011 2.347 -6.068 1.00 0.00 C ATOM 847 C LEU A 57 7.040 1.899 -4.605 1.00 0.00 C ATOM 848 O LEU A 57 6.899 0.712 -4.313 1.00 0.00 O ATOM 849 CB LEU A 57 8.322 2.974 -6.545 1.00 0.00 C ATOM 850 CG LEU A 57 9.247 2.062 -7.352 1.00 0.00 C ATOM 851 CD1 LEU A 57 10.066 2.867 -8.364 1.00 0.00 C ATOM 852 CD2 LEU A 57 10.138 1.228 -6.428 1.00 0.00 C ATOM 0 H LEU A 57 6.173 4.191 -6.604 1.00 0.00 H new ATOM 0 HA LEU A 57 6.875 1.451 -6.674 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.084 3.847 -7.153 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.869 3.333 -5.673 1.00 0.00 H new ATOM 0 HG LEU A 57 8.629 1.366 -7.919 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.715 2.194 -8.924 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.393 3.378 -9.052 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.674 3.603 -7.837 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.786 0.588 -7.027 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.749 1.891 -5.816 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.515 0.610 -5.782 1.00 0.00 H new ATOM 864 N PHE A 58 7.225 2.872 -3.725 1.00 0.00 N ATOM 865 CA PHE A 58 7.275 2.593 -2.300 1.00 0.00 C ATOM 866 C PHE A 58 6.132 1.665 -1.883 1.00 0.00 C ATOM 867 O PHE A 58 6.289 0.850 -0.975 1.00 0.00 O ATOM 868 CB PHE A 58 7.119 3.931 -1.576 1.00 0.00 C ATOM 869 CG PHE A 58 8.091 4.125 -0.410 1.00 0.00 C ATOM 870 CD1 PHE A 58 9.376 4.498 -0.651 1.00 0.00 C ATOM 871 CD2 PHE A 58 7.669 3.923 0.867 1.00 0.00 C ATOM 872 CE1 PHE A 58 10.278 4.677 0.432 1.00 0.00 C ATOM 873 CE2 PHE A 58 8.570 4.102 1.949 1.00 0.00 C ATOM 874 CZ PHE A 58 9.856 4.476 1.709 1.00 0.00 C ATOM 0 H PHE A 58 7.342 3.855 -3.971 1.00 0.00 H new ATOM 0 HA PHE A 58 8.216 2.103 -2.050 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.262 4.739 -2.293 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.098 4.013 -1.202 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.711 4.658 -1.665 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.648 3.626 1.058 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.299 4.973 0.241 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.235 3.941 2.963 1.00 0.00 H new ATOM 0 HZ PHE A 58 10.541 4.613 2.532 1.00 0.00 H new ATOM 884 N THR A 59 5.007 1.820 -2.566 1.00 0.00 N ATOM 885 CA THR A 59 3.838 1.007 -2.277 1.00 0.00 C ATOM 886 C THR A 59 4.076 -0.441 -2.710 1.00 0.00 C ATOM 887 O THR A 59 3.941 -1.363 -1.908 1.00 0.00 O ATOM 888 CB THR A 59 2.631 1.655 -2.959 1.00 0.00 C ATOM 889 OG1 THR A 59 2.252 2.703 -2.071 1.00 0.00 O ATOM 890 CG2 THR A 59 1.411 0.732 -2.990 1.00 0.00 C ATOM 0 H THR A 59 4.880 2.497 -3.319 1.00 0.00 H new ATOM 0 HA THR A 59 3.640 0.965 -1.206 1.00 0.00 H new ATOM 0 HB THR A 59 2.898 1.938 -3.977 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.880 3.450 -2.160 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.583 1.240 -3.484 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.657 -0.178 -3.537 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.123 0.476 -1.971 1.00 0.00 H new ATOM 898 N ALA A 60 4.425 -0.595 -3.979 1.00 0.00 N ATOM 899 CA ALA A 60 4.682 -1.916 -4.529 1.00 0.00 C ATOM 900 C ALA A 60 5.711 -2.636 -3.655 1.00 0.00 C ATOM 901 O ALA A 60 5.547 -3.813 -3.339 1.00 0.00 O ATOM 902 CB ALA A 60 5.143 -1.783 -5.982 1.00 0.00 C ATOM 0 H ALA A 60 4.536 0.172 -4.642 1.00 0.00 H new ATOM 0 HA ALA A 60 3.772 -2.516 -4.529 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.336 -2.773 -6.395 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.366 -1.291 -6.567 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.056 -1.190 -6.021 1.00 0.00 H new ATOM 908 N PHE A 61 6.749 -1.898 -3.288 1.00 0.00 N ATOM 909 CA PHE A 61 7.804 -2.452 -2.456 1.00 0.00 C ATOM 910 C PHE A 61 7.266 -2.848 -1.080 1.00 0.00 C ATOM 911 O PHE A 61 7.647 -3.883 -0.535 1.00 0.00 O ATOM 912 CB PHE A 61 8.857 -1.356 -2.282 1.00 0.00 C ATOM 913 CG PHE A 61 10.296 -1.842 -2.463 1.00 0.00 C ATOM 914 CD1 PHE A 61 10.774 -2.104 -3.710 1.00 0.00 C ATOM 915 CD2 PHE A 61 11.099 -2.011 -1.378 1.00 0.00 C ATOM 916 CE1 PHE A 61 12.110 -2.555 -3.878 1.00 0.00 C ATOM 917 CE2 PHE A 61 12.434 -2.463 -1.547 1.00 0.00 C ATOM 918 CZ PHE A 61 12.912 -2.725 -2.793 1.00 0.00 C ATOM 0 H PHE A 61 6.882 -0.922 -3.551 1.00 0.00 H new ATOM 0 HA PHE A 61 8.218 -3.344 -2.925 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.660 -0.560 -3.000 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.753 -0.921 -1.288 1.00 0.00 H new ATOM 0 HD1 PHE A 61 10.137 -1.969 -4.572 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.721 -1.801 -0.388 1.00 0.00 H new ATOM 0 HE1 PHE A 61 12.489 -2.763 -4.868 1.00 0.00 H new ATOM 0 HE2 PHE A 61 13.071 -2.599 -0.685 1.00 0.00 H new ATOM 0 HZ PHE A 61 13.928 -3.068 -2.921 1.00 0.00 H new ATOM 928 N PHE A 62 6.387 -2.005 -0.558 1.00 0.00 N ATOM 929 CA PHE A 62 5.793 -2.255 0.744 1.00 0.00 C ATOM 930 C PHE A 62 4.937 -3.523 0.722 1.00 0.00 C ATOM 931 O PHE A 62 5.156 -4.438 1.514 1.00 0.00 O ATOM 932 CB PHE A 62 4.899 -1.056 1.066 1.00 0.00 C ATOM 933 CG PHE A 62 5.297 -0.306 2.339 1.00 0.00 C ATOM 934 CD1 PHE A 62 6.186 0.721 2.273 1.00 0.00 C ATOM 935 CD2 PHE A 62 4.762 -0.667 3.536 1.00 0.00 C ATOM 936 CE1 PHE A 62 6.556 1.417 3.454 1.00 0.00 C ATOM 937 CE2 PHE A 62 5.132 0.029 4.717 1.00 0.00 C ATOM 938 CZ PHE A 62 6.021 1.056 4.652 1.00 0.00 C ATOM 0 H PHE A 62 6.072 -1.148 -1.013 1.00 0.00 H new ATOM 0 HA PHE A 62 6.576 -2.390 1.490 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.923 -0.362 0.226 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.870 -1.400 1.166 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.611 1.007 1.322 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.056 -1.483 3.588 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.262 2.233 3.402 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.707 -0.257 5.668 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.302 1.585 5.551 1.00 0.00 H new ATOM 948 N LEU A 63 3.979 -3.536 -0.194 1.00 0.00 N ATOM 949 CA LEU A 63 3.089 -4.676 -0.330 1.00 0.00 C ATOM 950 C LEU A 63 3.920 -5.947 -0.515 1.00 0.00 C ATOM 951 O LEU A 63 3.556 -7.010 -0.015 1.00 0.00 O ATOM 952 CB LEU A 63 2.076 -4.435 -1.451 1.00 0.00 C ATOM 953 CG LEU A 63 0.602 -4.484 -1.045 1.00 0.00 C ATOM 954 CD1 LEU A 63 0.183 -5.909 -0.675 1.00 0.00 C ATOM 955 CD2 LEU A 63 0.309 -3.490 0.080 1.00 0.00 C ATOM 0 H LEU A 63 3.800 -2.775 -0.849 1.00 0.00 H new ATOM 0 HA LEU A 63 2.500 -4.809 0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.278 -3.459 -1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.243 -5.179 -2.230 1.00 0.00 H new ATOM 0 HG LEU A 63 0.001 -4.184 -1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.869 -5.917 -0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.332 -6.566 -1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.788 -6.261 0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.746 -3.546 0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.919 -3.735 0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.545 -2.480 -0.256 1.00 0.00 H new ATOM 967 N ALA A 64 5.022 -5.796 -1.236 1.00 0.00 N ATOM 968 CA ALA A 64 5.907 -6.918 -1.494 1.00 0.00 C ATOM 969 C ALA A 64 6.493 -7.415 -0.170 1.00 0.00 C ATOM 970 O ALA A 64 6.282 -8.564 0.214 1.00 0.00 O ATOM 971 CB ALA A 64 6.990 -6.497 -2.489 1.00 0.00 C ATOM 0 H ALA A 64 5.321 -4.913 -1.649 1.00 0.00 H new ATOM 0 HA ALA A 64 5.357 -7.745 -1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.654 -7.340 -2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.524 -6.181 -3.422 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.565 -5.670 -2.073 1.00 0.00 H new ATOM 977 N THR A 65 7.218 -6.524 0.490 1.00 0.00 N ATOM 978 CA THR A 65 7.836 -6.857 1.763 1.00 0.00 C ATOM 979 C THR A 65 6.766 -7.199 2.802 1.00 0.00 C ATOM 980 O THR A 65 7.078 -7.721 3.871 1.00 0.00 O ATOM 981 CB THR A 65 8.730 -5.686 2.175 1.00 0.00 C ATOM 982 OG1 THR A 65 9.553 -6.224 3.206 1.00 0.00 O ATOM 983 CG2 THR A 65 7.949 -4.567 2.866 1.00 0.00 C ATOM 0 H THR A 65 7.392 -5.572 0.168 1.00 0.00 H new ATOM 0 HA THR A 65 8.459 -7.747 1.679 1.00 0.00 H new ATOM 0 HB THR A 65 9.233 -5.286 1.294 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.071 -6.941 3.668 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.631 -3.761 3.137 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.186 -4.184 2.188 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.473 -4.957 3.765 1.00 0.00 H new ATOM 991 N ILE A 66 5.526 -6.891 2.451 1.00 0.00 N ATOM 992 CA ILE A 66 4.408 -7.159 3.340 1.00 0.00 C ATOM 993 C ILE A 66 3.967 -8.615 3.173 1.00 0.00 C ATOM 994 O ILE A 66 4.200 -9.442 4.052 1.00 0.00 O ATOM 995 CB ILE A 66 3.285 -6.146 3.109 1.00 0.00 C ATOM 996 CG1 ILE A 66 3.590 -4.820 3.809 1.00 0.00 C ATOM 997 CG2 ILE A 66 1.932 -6.721 3.533 1.00 0.00 C ATOM 998 CD1 ILE A 66 2.683 -3.704 3.288 1.00 0.00 C ATOM 0 H ILE A 66 5.271 -6.458 1.563 1.00 0.00 H new ATOM 0 HA ILE A 66 4.710 -7.034 4.380 1.00 0.00 H new ATOM 0 HB ILE A 66 3.226 -5.939 2.040 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.453 -4.933 4.884 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.634 -4.551 3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.151 -5.981 3.358 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.719 -7.617 2.951 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.961 -6.975 4.593 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.920 -2.772 3.802 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.840 -3.578 2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.641 -3.965 3.474 1.00 0.00 H new ATOM 1010 N MET A 67 3.338 -8.883 2.038 1.00 0.00 N ATOM 1011 CA MET A 67 2.863 -10.224 1.744 1.00 0.00 C ATOM 1012 C MET A 67 4.008 -11.119 1.265 1.00 0.00 C ATOM 1013 O MET A 67 4.190 -12.224 1.772 1.00 0.00 O ATOM 1014 CB MET A 67 1.780 -10.157 0.665 1.00 0.00 C ATOM 1015 CG MET A 67 0.384 -10.151 1.290 1.00 0.00 C ATOM 1016 SD MET A 67 -0.823 -10.694 0.092 1.00 0.00 S ATOM 1017 CE MET A 67 -1.861 -9.244 0.018 1.00 0.00 C ATOM 0 H MET A 67 3.146 -8.194 1.311 1.00 0.00 H new ATOM 0 HA MET A 67 2.451 -10.652 2.658 1.00 0.00 H new ATOM 0 HB2 MET A 67 1.917 -9.259 0.063 1.00 0.00 H new ATOM 0 HB3 MET A 67 1.878 -11.009 -0.007 1.00 0.00 H new ATOM 0 HG2 MET A 67 0.364 -10.806 2.161 1.00 0.00 H new ATOM 0 HG3 MET A 67 0.137 -9.148 1.639 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.673 -9.413 -0.690 1.00 0.00 H new ATOM 0 HE2 MET A 67 -2.277 -9.043 1.005 1.00 0.00 H new ATOM 0 HE3 MET A 67 -1.269 -8.389 -0.307 1.00 0.00 H new ATOM 1027 N GLY A 68 4.749 -10.607 0.293 1.00 0.00 N ATOM 1028 CA GLY A 68 5.871 -11.346 -0.261 1.00 0.00 C ATOM 1029 C GLY A 68 5.700 -11.556 -1.766 1.00 0.00 C ATOM 1030 O GLY A 68 6.053 -12.609 -2.294 1.00 0.00 O ATOM 0 H GLY A 68 4.594 -9.690 -0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.798 -10.805 -0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.956 -12.312 0.237 1.00 0.00 H new ATOM 1245 N ALA A 80 3.683 -9.423 -10.306 1.00 0.00 N ATOM 1246 CA ALA A 80 3.341 -8.683 -11.508 1.00 0.00 C ATOM 1247 C ALA A 80 2.461 -7.488 -11.133 1.00 0.00 C ATOM 1248 O ALA A 80 2.810 -6.343 -11.416 1.00 0.00 O ATOM 1249 CB ALA A 80 2.657 -9.619 -12.507 1.00 0.00 C ATOM 0 HA ALA A 80 4.239 -8.294 -11.988 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.400 -9.064 -13.409 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.333 -10.435 -12.763 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.750 -10.026 -12.061 1.00 0.00 H new ATOM 1255 N GLY A 81 1.338 -7.796 -10.501 1.00 0.00 N ATOM 1256 CA GLY A 81 0.406 -6.762 -10.084 1.00 0.00 C ATOM 1257 C GLY A 81 1.102 -5.718 -9.209 1.00 0.00 C ATOM 1258 O GLY A 81 0.732 -4.545 -9.222 1.00 0.00 O ATOM 0 H GLY A 81 1.052 -8.747 -10.268 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.023 -6.279 -10.962 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.419 -7.212 -9.533 1.00 0.00 H new ATOM 1262 N LEU A 82 2.098 -6.182 -8.468 1.00 0.00 N ATOM 1263 CA LEU A 82 2.849 -5.303 -7.588 1.00 0.00 C ATOM 1264 C LEU A 82 3.361 -4.103 -8.388 1.00 0.00 C ATOM 1265 O LEU A 82 2.797 -3.013 -8.308 1.00 0.00 O ATOM 1266 CB LEU A 82 3.954 -6.080 -6.870 1.00 0.00 C ATOM 1267 CG LEU A 82 4.603 -5.375 -5.677 1.00 0.00 C ATOM 1268 CD1 LEU A 82 3.920 -5.775 -4.367 1.00 0.00 C ATOM 1269 CD2 LEU A 82 6.110 -5.635 -5.640 1.00 0.00 C ATOM 0 H LEU A 82 2.402 -7.156 -8.459 1.00 0.00 H new ATOM 0 HA LEU A 82 2.205 -4.911 -6.801 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.540 -7.027 -6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.733 -6.318 -7.594 1.00 0.00 H new ATOM 0 HG LEU A 82 4.465 -4.301 -5.798 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.400 -5.260 -3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.867 -5.498 -4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.006 -6.852 -4.226 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.547 -5.123 -4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.292 -6.706 -5.554 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.566 -5.262 -6.557 1.00 0.00 H new ATOM 1281 N VAL A 83 4.424 -4.345 -9.142 1.00 0.00 N ATOM 1282 CA VAL A 83 5.018 -3.298 -9.956 1.00 0.00 C ATOM 1283 C VAL A 83 4.038 -2.900 -11.061 1.00 0.00 C ATOM 1284 O VAL A 83 3.607 -1.749 -11.128 1.00 0.00 O ATOM 1285 CB VAL A 83 6.372 -3.761 -10.496 1.00 0.00 C ATOM 1286 CG1 VAL A 83 6.958 -2.730 -11.463 1.00 0.00 C ATOM 1287 CG2 VAL A 83 7.346 -4.057 -9.354 1.00 0.00 C ATOM 0 H VAL A 83 4.889 -5.251 -9.206 1.00 0.00 H new ATOM 0 HA VAL A 83 5.209 -2.409 -9.355 1.00 0.00 H new ATOM 0 HB VAL A 83 6.213 -4.687 -11.049 1.00 0.00 H new ATOM 0 HG11 VAL A 83 7.921 -3.084 -11.832 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.277 -2.590 -12.302 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.095 -1.781 -10.944 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.301 -4.384 -9.766 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.497 -3.155 -8.761 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.936 -4.843 -8.720 1.00 0.00 H new ATOM 1297 N ALA A 84 3.714 -3.872 -11.900 1.00 0.00 N ATOM 1298 CA ALA A 84 2.793 -3.637 -12.999 1.00 0.00 C ATOM 1299 C ALA A 84 1.655 -2.734 -12.520 1.00 0.00 C ATOM 1300 O ALA A 84 1.139 -1.921 -13.285 1.00 0.00 O ATOM 1301 CB ALA A 84 2.287 -4.977 -13.537 1.00 0.00 C ATOM 0 H ALA A 84 4.073 -4.825 -11.841 1.00 0.00 H new ATOM 0 HA ALA A 84 3.297 -3.126 -13.819 1.00 0.00 H new ATOM 0 HB1 ALA A 84 1.596 -4.801 -14.361 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.131 -5.569 -13.891 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.773 -5.517 -12.742 1.00 0.00 H new ATOM 1307 N GLY A 85 1.296 -2.908 -11.256 1.00 0.00 N ATOM 1308 CA GLY A 85 0.228 -2.118 -10.667 1.00 0.00 C ATOM 1309 C GLY A 85 0.683 -0.679 -10.418 1.00 0.00 C ATOM 1310 O GLY A 85 0.028 0.267 -10.851 1.00 0.00 O ATOM 0 H GLY A 85 1.725 -3.584 -10.624 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.638 -2.120 -11.329 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.088 -2.571 -9.727 1.00 0.00 H new ATOM 1314 N LEU A 86 1.803 -0.559 -9.720 1.00 0.00 N ATOM 1315 CA LEU A 86 2.354 0.749 -9.408 1.00 0.00 C ATOM 1316 C LEU A 86 2.337 1.618 -10.667 1.00 0.00 C ATOM 1317 O LEU A 86 1.975 2.792 -10.610 1.00 0.00 O ATOM 1318 CB LEU A 86 3.740 0.610 -8.775 1.00 0.00 C ATOM 1319 CG LEU A 86 4.928 0.707 -9.734 1.00 0.00 C ATOM 1320 CD1 LEU A 86 5.080 2.130 -10.276 1.00 0.00 C ATOM 1321 CD2 LEU A 86 6.212 0.207 -9.069 1.00 0.00 C ATOM 0 H LEU A 86 2.344 -1.346 -9.362 1.00 0.00 H new ATOM 0 HA LEU A 86 1.739 1.254 -8.663 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.849 1.382 -8.014 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.789 -0.351 -8.263 1.00 0.00 H new ATOM 0 HG LEU A 86 4.733 0.057 -10.587 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.932 2.172 -10.955 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.174 2.414 -10.812 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.243 2.819 -9.448 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.041 0.287 -9.772 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.425 0.812 -8.187 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.087 -0.834 -8.773 1.00 0.00 H new ATOM 1333 N SER A 87 2.733 1.008 -11.774 1.00 0.00 N ATOM 1334 CA SER A 87 2.768 1.711 -13.045 1.00 0.00 C ATOM 1335 C SER A 87 1.346 2.045 -13.497 1.00 0.00 C ATOM 1336 O SER A 87 1.019 3.210 -13.721 1.00 0.00 O ATOM 1337 CB SER A 87 3.484 0.882 -14.113 1.00 0.00 C ATOM 1338 OG SER A 87 4.099 1.703 -15.103 1.00 0.00 O ATOM 0 H SER A 87 3.033 0.034 -11.817 1.00 0.00 H new ATOM 0 HA SER A 87 3.326 2.637 -12.909 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.241 0.257 -13.639 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.770 0.211 -14.591 1.00 0.00 H new ATOM 0 HG SER A 87 4.547 1.137 -15.766 1.00 0.00 H new ATOM 1344 N LEU A 88 0.537 1.003 -13.619 1.00 0.00 N ATOM 1345 CA LEU A 88 -0.843 1.171 -14.040 1.00 0.00 C ATOM 1346 C LEU A 88 -1.473 2.327 -13.260 1.00 0.00 C ATOM 1347 O LEU A 88 -2.416 2.959 -13.733 1.00 0.00 O ATOM 1348 CB LEU A 88 -1.608 -0.147 -13.910 1.00 0.00 C ATOM 1349 CG LEU A 88 -2.077 -0.783 -15.221 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -3.045 0.140 -15.963 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -0.885 -1.184 -16.093 1.00 0.00 C ATOM 0 H LEU A 88 0.811 0.038 -13.433 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.889 1.436 -15.096 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.973 -0.863 -13.389 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.481 0.023 -13.279 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.623 -1.696 -14.982 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.363 -0.336 -16.891 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.916 0.332 -15.337 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.547 1.082 -16.191 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.246 -1.633 -17.018 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.291 -0.300 -16.326 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.268 -1.905 -15.556 1.00 0.00 H new ATOM 1363 N MET A 89 -0.926 2.568 -12.078 1.00 0.00 N ATOM 1364 CA MET A 89 -1.422 3.637 -11.228 1.00 0.00 C ATOM 1365 C MET A 89 -0.897 4.997 -11.693 1.00 0.00 C ATOM 1366 O MET A 89 -1.674 5.863 -12.092 1.00 0.00 O ATOM 1367 CB MET A 89 -0.983 3.386 -9.784 1.00 0.00 C ATOM 1368 CG MET A 89 -1.676 4.355 -8.824 1.00 0.00 C ATOM 1369 SD MET A 89 -0.461 5.211 -7.836 1.00 0.00 S ATOM 1370 CE MET A 89 0.069 6.452 -9.005 1.00 0.00 C ATOM 0 H MET A 89 -0.144 2.041 -11.689 1.00 0.00 H new ATOM 0 HA MET A 89 -2.510 3.649 -11.290 1.00 0.00 H new ATOM 0 HB2 MET A 89 -1.217 2.359 -9.502 1.00 0.00 H new ATOM 0 HB3 MET A 89 0.098 3.500 -9.704 1.00 0.00 H new ATOM 0 HG2 MET A 89 -2.271 5.074 -9.387 1.00 0.00 H new ATOM 0 HG3 MET A 89 -2.363 3.810 -8.177 1.00 0.00 H new ATOM 0 HE1 MET A 89 0.263 7.387 -8.480 1.00 0.00 H new ATOM 0 HE2 MET A 89 0.981 6.119 -9.501 1.00 0.00 H new ATOM 0 HE3 MET A 89 -0.712 6.609 -9.749 1.00 0.00 H new ATOM 1380 N MET A 90 0.419 5.141 -11.626 1.00 0.00 N ATOM 1381 CA MET A 90 1.057 6.381 -12.035 1.00 0.00 C ATOM 1382 C MET A 90 0.496 6.871 -13.372 1.00 0.00 C ATOM 1383 O MET A 90 0.519 8.067 -13.658 1.00 0.00 O ATOM 1384 CB MET A 90 2.565 6.160 -12.163 1.00 0.00 C ATOM 1385 CG MET A 90 2.930 5.666 -13.565 1.00 0.00 C ATOM 1386 SD MET A 90 3.262 7.055 -14.635 1.00 0.00 S ATOM 1387 CE MET A 90 2.840 6.338 -16.214 1.00 0.00 C ATOM 0 H MET A 90 1.060 4.420 -11.295 1.00 0.00 H new ATOM 0 HA MET A 90 0.855 7.139 -11.279 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.092 7.091 -11.953 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.894 5.433 -11.420 1.00 0.00 H new ATOM 0 HG2 MET A 90 3.805 5.018 -13.515 1.00 0.00 H new ATOM 0 HG3 MET A 90 2.114 5.069 -13.973 1.00 0.00 H new ATOM 0 HE1 MET A 90 3.671 6.469 -16.907 1.00 0.00 H new ATOM 0 HE2 MET A 90 2.637 5.275 -16.088 1.00 0.00 H new ATOM 0 HE3 MET A 90 1.954 6.832 -16.613 1.00 0.00 H new ATOM 1397 N ILE A 91 0.006 5.921 -14.155 1.00 0.00 N ATOM 1398 CA ILE A 91 -0.559 6.241 -15.455 1.00 0.00 C ATOM 1399 C ILE A 91 -2.053 6.535 -15.298 1.00 0.00 C ATOM 1400 O ILE A 91 -2.573 7.467 -15.909 1.00 0.00 O ATOM 1401 CB ILE A 91 -0.253 5.130 -16.460 1.00 0.00 C ATOM 1402 CG1 ILE A 91 -0.359 5.645 -17.897 1.00 0.00 C ATOM 1403 CG2 ILE A 91 -1.148 3.912 -16.221 1.00 0.00 C ATOM 1404 CD1 ILE A 91 1.013 5.670 -18.573 1.00 0.00 C ATOM 0 H ILE A 91 -0.011 4.930 -13.914 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.097 7.141 -15.860 1.00 0.00 H new ATOM 0 HB ILE A 91 0.777 4.808 -16.308 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.037 5.009 -18.466 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.787 6.648 -17.897 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.910 3.137 -16.949 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.980 3.529 -15.215 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.193 4.202 -16.329 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.909 6.040 -19.593 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.681 6.326 -18.015 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.427 4.662 -18.593 1.00 0.00 H new ATOM 1416 N LEU A 92 -2.700 5.722 -14.477 1.00 0.00 N ATOM 1417 CA LEU A 92 -4.123 5.883 -14.232 1.00 0.00 C ATOM 1418 C LEU A 92 -4.393 7.304 -13.734 1.00 0.00 C ATOM 1419 O LEU A 92 -5.498 7.822 -13.892 1.00 0.00 O ATOM 1420 CB LEU A 92 -4.631 4.793 -13.287 1.00 0.00 C ATOM 1421 CG LEU A 92 -5.666 5.233 -12.249 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -6.360 4.024 -11.620 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -5.032 6.144 -11.195 1.00 0.00 C ATOM 0 H LEU A 92 -2.265 4.949 -13.973 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.685 5.757 -15.157 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.065 3.993 -13.887 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.776 4.369 -12.761 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.434 5.816 -12.758 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -7.090 4.365 -10.886 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.866 3.450 -12.396 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.619 3.394 -11.128 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.789 6.442 -10.469 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.232 5.608 -10.685 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.624 7.031 -11.679 1.00 0.00 H new ATOM 1435 N ARG A 93 -3.365 7.895 -13.142 1.00 0.00 N ATOM 1436 CA ARG A 93 -3.478 9.246 -12.619 1.00 0.00 C ATOM 1437 C ARG A 93 -2.904 10.251 -13.620 1.00 0.00 C ATOM 1438 O ARG A 93 -3.553 11.242 -13.951 1.00 0.00 O ATOM 1439 CB ARG A 93 -2.739 9.384 -11.287 1.00 0.00 C ATOM 1440 CG ARG A 93 -3.720 9.379 -10.113 1.00 0.00 C ATOM 1441 CD ARG A 93 -3.338 10.437 -9.075 1.00 0.00 C ATOM 1442 NE ARG A 93 -4.536 10.854 -8.313 1.00 0.00 N ATOM 1443 CZ ARG A 93 -4.614 11.980 -7.592 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -3.563 12.809 -7.530 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -5.741 12.278 -6.932 1.00 0.00 N ATOM 0 H ARG A 93 -2.450 7.463 -13.013 1.00 0.00 H new ATOM 0 HA ARG A 93 -4.536 9.453 -12.457 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -2.028 8.565 -11.175 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -2.163 10.309 -11.281 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -4.730 9.569 -10.477 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -3.730 8.394 -9.647 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.586 10.037 -8.395 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -2.893 11.300 -9.570 1.00 0.00 H new ATOM 0 HE ARG A 93 -5.354 10.245 -8.338 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.704 12.582 -8.032 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -3.622 13.667 -6.981 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -6.541 11.647 -6.978 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.799 13.136 -6.383 1.00 0.00 H new ATOM 1459 N LEU A 94 -1.693 9.962 -14.073 1.00 0.00 N ATOM 1460 CA LEU A 94 -1.025 10.828 -15.028 1.00 0.00 C ATOM 1461 C LEU A 94 -1.956 11.086 -16.215 1.00 0.00 C ATOM 1462 O LEU A 94 -1.798 12.075 -16.929 1.00 0.00 O ATOM 1463 CB LEU A 94 0.331 10.241 -15.427 1.00 0.00 C ATOM 1464 CG LEU A 94 1.184 11.099 -16.364 1.00 0.00 C ATOM 1465 CD1 LEU A 94 2.675 10.857 -16.123 1.00 0.00 C ATOM 1466 CD2 LEU A 94 0.795 10.869 -17.825 1.00 0.00 C ATOM 0 H LEU A 94 -1.157 9.140 -13.796 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.807 11.796 -14.576 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.903 10.051 -14.519 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.161 9.276 -15.905 1.00 0.00 H new ATOM 0 HG LEU A 94 0.987 12.148 -16.140 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.259 11.479 -16.802 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.923 11.112 -15.093 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.907 9.807 -16.303 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.417 11.491 -18.469 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.944 9.820 -18.080 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.253 11.132 -17.968 1.00 0.00 H new ATOM 1478 N VAL A 95 -2.907 10.179 -16.388 1.00 0.00 N ATOM 1479 CA VAL A 95 -3.863 10.296 -17.475 1.00 0.00 C ATOM 1480 C VAL A 95 -4.741 11.529 -17.246 1.00 0.00 C ATOM 1481 O VAL A 95 -4.695 12.481 -18.024 1.00 0.00 O ATOM 1482 CB VAL A 95 -4.671 9.003 -17.603 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -6.063 9.280 -18.173 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -3.925 7.973 -18.454 1.00 0.00 C ATOM 0 H VAL A 95 -3.035 9.360 -15.793 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.346 10.436 -18.424 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.796 8.586 -16.604 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.616 8.344 -18.254 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -6.598 9.962 -17.512 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.969 9.732 -19.160 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.521 7.063 -18.529 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.755 8.379 -19.451 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.967 7.742 -17.989 1.00 0.00 H new ATOM 1494 N LEU A 96 -5.519 11.471 -16.175 1.00 0.00 N ATOM 1495 CA LEU A 96 -6.405 12.571 -15.834 1.00 0.00 C ATOM 1496 C LEU A 96 -5.574 13.754 -15.336 1.00 0.00 C ATOM 1497 O LEU A 96 -5.814 14.895 -15.727 1.00 0.00 O ATOM 1498 CB LEU A 96 -7.475 12.109 -14.842 1.00 0.00 C ATOM 1499 CG LEU A 96 -6.968 11.345 -13.617 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -7.357 12.063 -12.324 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -7.455 9.894 -13.636 1.00 0.00 C ATOM 0 H LEU A 96 -5.554 10.680 -15.532 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.947 12.911 -16.716 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -8.025 12.985 -14.497 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.185 11.475 -15.373 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.879 11.320 -13.656 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.985 11.499 -11.469 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.921 13.062 -12.317 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.443 12.140 -12.263 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.081 9.373 -12.755 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.545 9.876 -13.633 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -7.087 9.398 -14.534 1.00 0.00 H new