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 87 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 90 MET CE :methyl -167:sc= 0 (180deg=-0.133) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 84:sc= 0.308 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -153:sc= -1.42 USER MOD Single : A 59 THR OG1 : rot 74:sc= 1.06 USER MOD Single : A 65 THR OG1 : rot -31:sc= 0.056 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl 141:sc= -1.53 (180deg=-4.91!) USER MOD ----------------------------------------------------------------- ATOM 102 N TYR A 8 6.879 -22.206 -23.721 1.00 0.00 N ATOM 103 CA TYR A 8 6.937 -20.764 -23.549 1.00 0.00 C ATOM 104 C TYR A 8 6.685 -20.044 -24.875 1.00 0.00 C ATOM 105 O TYR A 8 5.857 -19.137 -24.945 1.00 0.00 O ATOM 106 CB TYR A 8 8.358 -20.453 -23.075 1.00 0.00 C ATOM 107 CG TYR A 8 8.513 -19.069 -22.441 1.00 0.00 C ATOM 108 CD1 TYR A 8 7.726 -18.711 -21.366 1.00 0.00 C ATOM 109 CD2 TYR A 8 9.441 -18.180 -22.944 1.00 0.00 C ATOM 110 CE1 TYR A 8 7.872 -17.408 -20.769 1.00 0.00 C ATOM 111 CE2 TYR A 8 9.587 -16.878 -22.347 1.00 0.00 C ATOM 112 CZ TYR A 8 8.795 -16.556 -21.289 1.00 0.00 C ATOM 113 OH TYR A 8 8.934 -15.326 -20.725 1.00 0.00 O ATOM 0 HA TYR A 8 6.178 -20.430 -22.841 1.00 0.00 H new ATOM 0 HB2 TYR A 8 8.662 -21.209 -22.351 1.00 0.00 H new ATOM 0 HB3 TYR A 8 9.038 -20.531 -23.923 1.00 0.00 H new ATOM 0 HD1 TYR A 8 7.001 -19.407 -20.972 1.00 0.00 H new ATOM 0 HD2 TYR A 8 10.057 -18.461 -23.785 1.00 0.00 H new ATOM 0 HE1 TYR A 8 7.262 -17.115 -19.927 1.00 0.00 H new ATOM 0 HE2 TYR A 8 10.309 -16.173 -22.731 1.00 0.00 H new ATOM 0 HH TYR A 8 9.631 -14.826 -21.199 1.00 0.00 H new ATOM 123 N ALA A 9 7.415 -20.473 -25.893 1.00 0.00 N ATOM 124 CA ALA A 9 7.282 -19.880 -27.213 1.00 0.00 C ATOM 125 C ALA A 9 5.905 -20.226 -27.786 1.00 0.00 C ATOM 126 O ALA A 9 5.305 -19.421 -28.496 1.00 0.00 O ATOM 127 CB ALA A 9 8.424 -20.364 -28.109 1.00 0.00 C ATOM 0 H ALA A 9 8.101 -21.225 -25.831 1.00 0.00 H new ATOM 0 HA ALA A 9 7.352 -18.794 -27.154 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.324 -19.919 -29.099 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.378 -20.069 -27.673 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.385 -21.450 -28.194 1.00 0.00 H new ATOM 133 N ALA A 10 5.446 -21.423 -27.454 1.00 0.00 N ATOM 134 CA ALA A 10 4.152 -21.885 -27.927 1.00 0.00 C ATOM 135 C ALA A 10 3.059 -20.953 -27.399 1.00 0.00 C ATOM 136 O ALA A 10 2.388 -20.276 -28.176 1.00 0.00 O ATOM 137 CB ALA A 10 3.938 -23.337 -27.494 1.00 0.00 C ATOM 0 H ALA A 10 5.947 -22.087 -26.863 1.00 0.00 H new ATOM 0 HA ALA A 10 4.110 -21.860 -29.016 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.967 -23.683 -27.849 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.724 -23.963 -27.918 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.970 -23.401 -26.406 1.00 0.00 H new ATOM 143 N LEU A 11 2.914 -20.949 -26.082 1.00 0.00 N ATOM 144 CA LEU A 11 1.914 -20.112 -25.441 1.00 0.00 C ATOM 145 C LEU A 11 2.088 -18.667 -25.912 1.00 0.00 C ATOM 146 O LEU A 11 1.106 -17.965 -26.148 1.00 0.00 O ATOM 147 CB LEU A 11 1.973 -20.275 -23.921 1.00 0.00 C ATOM 148 CG LEU A 11 3.074 -19.490 -23.205 1.00 0.00 C ATOM 149 CD1 LEU A 11 2.646 -18.041 -22.964 1.00 0.00 C ATOM 150 CD2 LEU A 11 3.490 -20.188 -21.908 1.00 0.00 C ATOM 0 H LEU A 11 3.473 -21.512 -25.441 1.00 0.00 H new ATOM 0 HA LEU A 11 0.911 -20.425 -25.733 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.011 -19.975 -23.506 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.102 -21.333 -23.694 1.00 0.00 H new ATOM 0 HG LEU A 11 3.951 -19.463 -23.852 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.446 -17.505 -22.454 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.438 -17.559 -23.919 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.748 -18.025 -22.347 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.274 -19.610 -21.419 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.629 -20.266 -21.245 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.864 -21.186 -22.136 1.00 0.00 H new ATOM 162 N VAL A 12 3.345 -18.265 -26.035 1.00 0.00 N ATOM 163 CA VAL A 12 3.660 -16.916 -26.473 1.00 0.00 C ATOM 164 C VAL A 12 3.001 -16.658 -27.830 1.00 0.00 C ATOM 165 O VAL A 12 2.366 -15.624 -28.029 1.00 0.00 O ATOM 166 CB VAL A 12 5.177 -16.715 -26.497 1.00 0.00 C ATOM 167 CG1 VAL A 12 5.565 -15.591 -27.460 1.00 0.00 C ATOM 168 CG2 VAL A 12 5.716 -16.443 -25.091 1.00 0.00 C ATOM 0 H VAL A 12 4.157 -18.850 -25.839 1.00 0.00 H new ATOM 0 HA VAL A 12 3.259 -16.183 -25.773 1.00 0.00 H new ATOM 0 HB VAL A 12 5.632 -17.637 -26.857 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.648 -15.468 -27.459 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.230 -15.842 -28.466 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.094 -14.661 -27.142 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.796 -16.304 -25.136 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.250 -15.542 -24.691 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.486 -17.289 -24.443 1.00 0.00 H new ATOM 178 N THR A 13 3.176 -17.617 -28.728 1.00 0.00 N ATOM 179 CA THR A 13 2.606 -17.506 -30.060 1.00 0.00 C ATOM 180 C THR A 13 1.079 -17.457 -29.985 1.00 0.00 C ATOM 181 O THR A 13 0.437 -16.751 -30.762 1.00 0.00 O ATOM 182 CB THR A 13 3.135 -18.671 -30.899 1.00 0.00 C ATOM 183 OG1 THR A 13 4.492 -18.321 -31.162 1.00 0.00 O ATOM 184 CG2 THR A 13 2.492 -18.735 -32.285 1.00 0.00 C ATOM 0 H THR A 13 3.704 -18.473 -28.559 1.00 0.00 H new ATOM 0 HA THR A 13 2.907 -16.576 -30.542 1.00 0.00 H new ATOM 0 HB THR A 13 2.955 -19.608 -30.372 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.053 -18.594 -30.406 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.903 -19.579 -32.838 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.414 -18.860 -32.181 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.700 -17.812 -32.825 1.00 0.00 H new ATOM 192 N PHE A 14 0.540 -18.216 -29.041 1.00 0.00 N ATOM 193 CA PHE A 14 -0.900 -18.268 -28.854 1.00 0.00 C ATOM 194 C PHE A 14 -1.445 -16.908 -28.411 1.00 0.00 C ATOM 195 O PHE A 14 -2.354 -16.366 -29.036 1.00 0.00 O ATOM 196 CB PHE A 14 -1.171 -19.296 -27.754 1.00 0.00 C ATOM 197 CG PHE A 14 -2.558 -19.938 -27.831 1.00 0.00 C ATOM 198 CD1 PHE A 14 -2.853 -20.801 -28.840 1.00 0.00 C ATOM 199 CD2 PHE A 14 -3.496 -19.646 -26.890 1.00 0.00 C ATOM 200 CE1 PHE A 14 -4.140 -21.397 -28.911 1.00 0.00 C ATOM 201 CE2 PHE A 14 -4.783 -20.242 -26.961 1.00 0.00 C ATOM 202 CZ PHE A 14 -5.078 -21.105 -27.970 1.00 0.00 C ATOM 0 H PHE A 14 1.075 -18.800 -28.398 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.388 -18.537 -29.791 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.415 -20.080 -27.809 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.059 -18.813 -26.783 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.108 -21.033 -29.587 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.262 -18.961 -26.089 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.374 -22.082 -29.712 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.528 -20.010 -26.214 1.00 0.00 H new ATOM 0 HZ PHE A 14 -6.057 -21.558 -28.024 1.00 0.00 H new ATOM 212 N GLY A 15 -0.865 -16.397 -27.335 1.00 0.00 N ATOM 213 CA GLY A 15 -1.280 -15.111 -26.801 1.00 0.00 C ATOM 214 C GLY A 15 -1.014 -13.988 -27.805 1.00 0.00 C ATOM 215 O GLY A 15 -1.705 -12.970 -27.801 1.00 0.00 O ATOM 0 H GLY A 15 -0.111 -16.850 -26.819 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.342 -15.141 -26.556 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.744 -14.909 -25.873 1.00 0.00 H new ATOM 219 N SER A 16 -0.012 -14.211 -28.642 1.00 0.00 N ATOM 220 CA SER A 16 0.354 -13.231 -29.650 1.00 0.00 C ATOM 221 C SER A 16 -0.738 -13.144 -30.717 1.00 0.00 C ATOM 222 O SER A 16 -1.164 -12.051 -31.088 1.00 0.00 O ATOM 223 CB SER A 16 1.698 -13.578 -30.293 1.00 0.00 C ATOM 224 OG SER A 16 2.686 -12.583 -30.036 1.00 0.00 O ATOM 0 H SER A 16 0.558 -15.057 -28.643 1.00 0.00 H new ATOM 0 HA SER A 16 0.454 -12.261 -29.163 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.044 -14.539 -29.913 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.567 -13.689 -31.369 1.00 0.00 H new ATOM 0 HG SER A 16 3.530 -12.842 -30.462 1.00 0.00 H new ATOM 230 N ILE A 17 -1.162 -14.311 -31.180 1.00 0.00 N ATOM 231 CA ILE A 17 -2.197 -14.381 -32.197 1.00 0.00 C ATOM 232 C ILE A 17 -3.530 -13.934 -31.594 1.00 0.00 C ATOM 233 O ILE A 17 -4.058 -12.883 -31.955 1.00 0.00 O ATOM 234 CB ILE A 17 -2.242 -15.778 -32.821 1.00 0.00 C ATOM 235 CG1 ILE A 17 -0.930 -16.101 -33.538 1.00 0.00 C ATOM 236 CG2 ILE A 17 -3.452 -15.927 -33.745 1.00 0.00 C ATOM 237 CD1 ILE A 17 -0.717 -15.173 -34.736 1.00 0.00 C ATOM 0 H ILE A 17 -0.807 -15.216 -30.869 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.972 -13.698 -33.016 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.358 -16.507 -32.019 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.097 -16.000 -32.842 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.941 -17.138 -33.874 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.460 -16.928 -34.175 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.367 -15.770 -33.174 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.392 -15.189 -34.545 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.223 -15.424 -35.228 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.539 -15.294 -35.441 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.682 -14.139 -34.393 1.00 0.00 H new ATOM 249 N PHE A 18 -4.037 -14.754 -30.685 1.00 0.00 N ATOM 250 CA PHE A 18 -5.298 -14.457 -30.028 1.00 0.00 C ATOM 251 C PHE A 18 -5.297 -13.037 -29.457 1.00 0.00 C ATOM 252 O PHE A 18 -6.269 -12.300 -29.615 1.00 0.00 O ATOM 253 CB PHE A 18 -5.451 -15.455 -28.879 1.00 0.00 C ATOM 254 CG PHE A 18 -6.482 -16.555 -29.144 1.00 0.00 C ATOM 255 CD1 PHE A 18 -6.339 -17.378 -30.217 1.00 0.00 C ATOM 256 CD2 PHE A 18 -7.542 -16.709 -28.305 1.00 0.00 C ATOM 257 CE1 PHE A 18 -7.295 -18.398 -30.462 1.00 0.00 C ATOM 258 CE2 PHE A 18 -8.499 -17.729 -28.551 1.00 0.00 C ATOM 259 CZ PHE A 18 -8.355 -18.552 -29.624 1.00 0.00 C ATOM 0 H PHE A 18 -3.597 -15.625 -30.388 1.00 0.00 H new ATOM 0 HA PHE A 18 -6.117 -14.532 -30.744 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.484 -15.917 -28.682 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.736 -14.914 -27.977 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.498 -17.255 -30.883 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.656 -16.056 -27.452 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -7.181 -19.052 -31.314 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.341 -17.851 -27.886 1.00 0.00 H new ATOM 0 HZ PHE A 18 -9.083 -19.328 -29.811 1.00 0.00 H new ATOM 441 N ILE A 30 -6.706 -6.929 -8.750 1.00 0.00 N ATOM 442 CA ILE A 30 -7.042 -6.652 -7.364 1.00 0.00 C ATOM 443 C ILE A 30 -5.817 -6.074 -6.652 1.00 0.00 C ATOM 444 O ILE A 30 -5.946 -5.189 -5.807 1.00 0.00 O ATOM 445 CB ILE A 30 -7.612 -7.902 -6.690 1.00 0.00 C ATOM 446 CG1 ILE A 30 -8.290 -7.550 -5.365 1.00 0.00 C ATOM 447 CG2 ILE A 30 -6.531 -8.971 -6.516 1.00 0.00 C ATOM 448 CD1 ILE A 30 -7.278 -7.543 -4.217 1.00 0.00 C ATOM 0 HA ILE A 30 -7.829 -5.900 -7.306 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.379 -8.322 -7.341 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.764 -6.571 -5.443 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.080 -8.271 -5.154 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.962 -9.849 -6.035 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.135 -9.250 -7.492 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.725 -8.576 -5.897 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.785 -7.290 -3.286 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.824 -8.530 -4.126 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.503 -6.804 -4.420 1.00 0.00 H new ATOM 460 N ALA A 31 -4.657 -6.598 -7.020 1.00 0.00 N ATOM 461 CA ALA A 31 -3.410 -6.145 -6.427 1.00 0.00 C ATOM 462 C ALA A 31 -3.194 -4.670 -6.769 1.00 0.00 C ATOM 463 O ALA A 31 -3.121 -3.826 -5.878 1.00 0.00 O ATOM 464 CB ALA A 31 -2.262 -7.031 -6.914 1.00 0.00 C ATOM 0 H ALA A 31 -4.554 -7.332 -7.721 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.448 -6.229 -5.341 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.327 -6.691 -6.469 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.450 -8.064 -6.620 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.191 -6.970 -8.000 1.00 0.00 H new ATOM 470 N GLY A 32 -3.098 -4.404 -8.064 1.00 0.00 N ATOM 471 CA GLY A 32 -2.891 -3.045 -8.535 1.00 0.00 C ATOM 472 C GLY A 32 -3.982 -2.110 -8.009 1.00 0.00 C ATOM 473 O GLY A 32 -3.690 -1.143 -7.307 1.00 0.00 O ATOM 0 H GLY A 32 -3.160 -5.106 -8.801 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.914 -2.689 -8.210 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.889 -3.030 -9.625 1.00 0.00 H new ATOM 477 N LEU A 33 -5.216 -2.432 -8.369 1.00 0.00 N ATOM 478 CA LEU A 33 -6.352 -1.633 -7.942 1.00 0.00 C ATOM 479 C LEU A 33 -6.165 -1.230 -6.478 1.00 0.00 C ATOM 480 O LEU A 33 -6.166 -0.044 -6.152 1.00 0.00 O ATOM 481 CB LEU A 33 -7.662 -2.376 -8.213 1.00 0.00 C ATOM 482 CG LEU A 33 -8.911 -1.798 -7.545 1.00 0.00 C ATOM 483 CD1 LEU A 33 -9.653 -0.854 -8.493 1.00 0.00 C ATOM 484 CD2 LEU A 33 -9.818 -2.913 -7.021 1.00 0.00 C ATOM 0 H LEU A 33 -5.454 -3.235 -8.951 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.409 -0.712 -8.522 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.828 -2.399 -9.290 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.545 -3.409 -7.887 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.596 -1.208 -6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.537 -0.457 -7.993 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.996 -0.032 -8.776 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.956 -1.400 -9.387 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.698 -2.475 -6.551 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.128 -3.550 -7.850 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.275 -3.510 -6.289 1.00 0.00 H new ATOM 496 N PHE A 34 -6.009 -2.240 -5.635 1.00 0.00 N ATOM 497 CA PHE A 34 -5.821 -2.006 -4.213 1.00 0.00 C ATOM 498 C PHE A 34 -4.741 -0.950 -3.969 1.00 0.00 C ATOM 499 O PHE A 34 -4.973 0.027 -3.258 1.00 0.00 O ATOM 500 CB PHE A 34 -5.370 -3.331 -3.597 1.00 0.00 C ATOM 501 CG PHE A 34 -5.195 -3.284 -2.078 1.00 0.00 C ATOM 502 CD1 PHE A 34 -4.005 -2.901 -1.542 1.00 0.00 C ATOM 503 CD2 PHE A 34 -6.229 -3.626 -1.263 1.00 0.00 C ATOM 504 CE1 PHE A 34 -3.843 -2.857 -0.132 1.00 0.00 C ATOM 505 CE2 PHE A 34 -6.067 -3.582 0.147 1.00 0.00 C ATOM 506 CZ PHE A 34 -4.877 -3.199 0.683 1.00 0.00 C ATOM 0 H PHE A 34 -6.009 -3.222 -5.909 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.750 -1.647 -3.770 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.100 -4.102 -3.845 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.425 -3.628 -4.052 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.183 -2.630 -2.189 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.174 -3.931 -1.689 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.898 -2.552 0.294 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -6.889 -3.853 0.794 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.753 -3.166 1.755 1.00 0.00 H new ATOM 516 N VAL A 35 -3.585 -1.182 -4.572 1.00 0.00 N ATOM 517 CA VAL A 35 -2.469 -0.263 -4.429 1.00 0.00 C ATOM 518 C VAL A 35 -2.900 1.132 -4.888 1.00 0.00 C ATOM 519 O VAL A 35 -2.416 2.137 -4.370 1.00 0.00 O ATOM 520 CB VAL A 35 -1.253 -0.794 -5.192 1.00 0.00 C ATOM 521 CG1 VAL A 35 -0.320 0.348 -5.599 1.00 0.00 C ATOM 522 CG2 VAL A 35 -0.506 -1.845 -4.369 1.00 0.00 C ATOM 0 H VAL A 35 -3.397 -1.993 -5.161 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.171 -0.184 -3.383 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.612 -1.274 -6.102 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.536 -0.056 -6.139 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.858 1.046 -6.241 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.028 0.869 -4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.353 -2.206 -4.934 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.165 -1.400 -3.434 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.174 -2.679 -4.152 1.00 0.00 H new ATOM 532 N GLY A 36 -3.805 1.148 -5.855 1.00 0.00 N ATOM 533 CA GLY A 36 -4.307 2.402 -6.390 1.00 0.00 C ATOM 534 C GLY A 36 -5.261 3.077 -5.401 1.00 0.00 C ATOM 535 O GLY A 36 -5.326 4.303 -5.335 1.00 0.00 O ATOM 0 H GLY A 36 -4.204 0.312 -6.282 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.473 3.068 -6.608 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.824 2.219 -7.332 1.00 0.00 H new ATOM 539 N CYS A 37 -5.976 2.246 -4.658 1.00 0.00 N ATOM 540 CA CYS A 37 -6.923 2.746 -3.676 1.00 0.00 C ATOM 541 C CYS A 37 -6.136 3.406 -2.542 1.00 0.00 C ATOM 542 O CYS A 37 -6.464 4.512 -2.115 1.00 0.00 O ATOM 543 CB CYS A 37 -7.844 1.638 -3.162 1.00 0.00 C ATOM 544 SG CYS A 37 -9.578 2.221 -3.148 1.00 0.00 S ATOM 0 H CYS A 37 -5.919 1.229 -4.716 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.577 3.484 -4.141 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.754 0.756 -3.796 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.543 1.341 -2.157 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.352 1.271 -2.712 1.00 0.00 H new ATOM 550 N LEU A 38 -5.112 2.700 -2.086 1.00 0.00 N ATOM 551 CA LEU A 38 -4.275 3.203 -1.010 1.00 0.00 C ATOM 552 C LEU A 38 -3.474 4.406 -1.513 1.00 0.00 C ATOM 553 O LEU A 38 -3.184 5.326 -0.750 1.00 0.00 O ATOM 554 CB LEU A 38 -3.407 2.082 -0.437 1.00 0.00 C ATOM 555 CG LEU A 38 -2.052 1.870 -1.116 1.00 0.00 C ATOM 556 CD1 LEU A 38 -1.091 3.016 -0.792 1.00 0.00 C ATOM 557 CD2 LEU A 38 -1.462 0.507 -0.748 1.00 0.00 C ATOM 0 H LEU A 38 -4.843 1.783 -2.442 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.890 3.553 -0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.234 2.287 0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.969 1.150 -0.493 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.206 1.874 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.136 2.841 -1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.515 3.957 -1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.937 3.068 0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.499 0.381 -1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.325 0.450 0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.141 -0.282 -1.070 1.00 0.00 H new ATOM 569 N ALA A 39 -3.138 4.359 -2.794 1.00 0.00 N ATOM 570 CA ALA A 39 -2.376 5.434 -3.407 1.00 0.00 C ATOM 571 C ALA A 39 -3.212 6.715 -3.399 1.00 0.00 C ATOM 572 O ALA A 39 -2.773 7.743 -2.884 1.00 0.00 O ATOM 573 CB ALA A 39 -1.957 5.020 -4.820 1.00 0.00 C ATOM 0 H ALA A 39 -3.379 3.594 -3.424 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.466 5.631 -2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.385 5.826 -5.281 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.342 4.122 -4.769 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.845 4.817 -5.418 1.00 0.00 H new ATOM 579 N GLY A 40 -4.400 6.613 -3.975 1.00 0.00 N ATOM 580 CA GLY A 40 -5.301 7.751 -4.040 1.00 0.00 C ATOM 581 C GLY A 40 -5.665 8.243 -2.638 1.00 0.00 C ATOM 582 O GLY A 40 -5.549 9.432 -2.343 1.00 0.00 O ATOM 0 H GLY A 40 -4.760 5.759 -4.401 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.832 8.559 -4.602 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.207 7.472 -4.578 1.00 0.00 H new ATOM 768 N ASP A 52 4.283 11.527 -5.946 1.00 0.00 N ATOM 769 CA ASP A 52 3.183 10.582 -6.041 1.00 0.00 C ATOM 770 C ASP A 52 3.735 9.196 -6.378 1.00 0.00 C ATOM 771 O ASP A 52 3.289 8.194 -5.822 1.00 0.00 O ATOM 772 CB ASP A 52 2.206 10.984 -7.148 1.00 0.00 C ATOM 773 CG ASP A 52 0.731 10.728 -6.832 1.00 0.00 C ATOM 774 OD1 ASP A 52 0.384 9.756 -6.144 1.00 0.00 O ATOM 775 OD2 ASP A 52 -0.091 11.589 -7.330 1.00 0.00 O ATOM 0 HA ASP A 52 2.661 10.575 -5.084 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.338 12.045 -7.361 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.467 10.442 -8.057 1.00 0.00 H new ATOM 780 N VAL A 53 4.698 9.182 -7.288 1.00 0.00 N ATOM 781 CA VAL A 53 5.316 7.935 -7.706 1.00 0.00 C ATOM 782 C VAL A 53 6.114 7.350 -6.539 1.00 0.00 C ATOM 783 O VAL A 53 6.550 6.202 -6.595 1.00 0.00 O ATOM 784 CB VAL A 53 6.168 8.167 -8.956 1.00 0.00 C ATOM 785 CG1 VAL A 53 6.692 6.842 -9.514 1.00 0.00 C ATOM 786 CG2 VAL A 53 5.384 8.938 -10.019 1.00 0.00 C ATOM 0 H VAL A 53 5.066 10.015 -7.748 1.00 0.00 H new ATOM 0 HA VAL A 53 4.555 7.204 -7.978 1.00 0.00 H new ATOM 0 HB VAL A 53 7.027 8.774 -8.669 1.00 0.00 H new ATOM 0 HG11 VAL A 53 7.294 7.034 -10.402 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.304 6.346 -8.760 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.851 6.200 -9.778 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.013 9.089 -10.896 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.498 8.370 -10.301 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.082 9.905 -9.618 1.00 0.00 H new ATOM 796 N LYS A 54 6.279 8.167 -5.508 1.00 0.00 N ATOM 797 CA LYS A 54 7.016 7.744 -4.330 1.00 0.00 C ATOM 798 C LYS A 54 6.233 6.644 -3.611 1.00 0.00 C ATOM 799 O LYS A 54 6.806 5.634 -3.204 1.00 0.00 O ATOM 800 CB LYS A 54 7.343 8.947 -3.442 1.00 0.00 C ATOM 801 CG LYS A 54 7.907 8.496 -2.093 1.00 0.00 C ATOM 802 CD LYS A 54 8.095 9.688 -1.152 1.00 0.00 C ATOM 803 CE LYS A 54 9.465 9.638 -0.473 1.00 0.00 C ATOM 804 NZ LYS A 54 9.729 10.900 0.254 1.00 0.00 N ATOM 0 H LYS A 54 5.915 9.119 -5.465 1.00 0.00 H new ATOM 0 HA LYS A 54 7.977 7.317 -4.615 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.065 9.590 -3.946 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.443 9.542 -3.284 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.233 7.771 -1.637 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.862 7.993 -2.244 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.996 10.618 -1.712 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.310 9.687 -0.396 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.504 8.797 0.220 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.242 9.472 -1.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.663 10.850 0.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.712 11.696 -0.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.998 11.042 0.979 1.00 0.00 H new ATOM 818 N VAL A 55 4.936 6.876 -3.477 1.00 0.00 N ATOM 819 CA VAL A 55 4.068 5.918 -2.814 1.00 0.00 C ATOM 820 C VAL A 55 3.828 4.726 -3.744 1.00 0.00 C ATOM 821 O VAL A 55 3.713 3.591 -3.286 1.00 0.00 O ATOM 822 CB VAL A 55 2.773 6.602 -2.372 1.00 0.00 C ATOM 823 CG1 VAL A 55 1.755 6.638 -3.513 1.00 0.00 C ATOM 824 CG2 VAL A 55 2.186 5.918 -1.135 1.00 0.00 C ATOM 0 H VAL A 55 4.465 7.714 -3.817 1.00 0.00 H new ATOM 0 HA VAL A 55 4.542 5.535 -1.910 1.00 0.00 H new ATOM 0 HB VAL A 55 3.012 7.631 -2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.844 7.129 -3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.172 7.190 -4.355 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.523 5.620 -3.826 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.266 6.424 -0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.969 4.875 -1.365 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.904 5.968 -0.317 1.00 0.00 H new ATOM 834 N SER A 56 3.759 5.027 -5.032 1.00 0.00 N ATOM 835 CA SER A 56 3.534 3.995 -6.030 1.00 0.00 C ATOM 836 C SER A 56 4.605 2.909 -5.910 1.00 0.00 C ATOM 837 O SER A 56 4.287 1.736 -5.717 1.00 0.00 O ATOM 838 CB SER A 56 3.533 4.585 -7.442 1.00 0.00 C ATOM 839 OG SER A 56 2.710 3.836 -8.332 1.00 0.00 O ATOM 0 H SER A 56 3.855 5.970 -5.408 1.00 0.00 H new ATOM 0 HA SER A 56 2.554 3.552 -5.849 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.182 5.616 -7.404 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.553 4.610 -7.825 1.00 0.00 H new ATOM 0 HG SER A 56 3.040 3.941 -9.249 1.00 0.00 H new ATOM 845 N LEU A 57 5.853 3.337 -6.030 1.00 0.00 N ATOM 846 CA LEU A 57 6.973 2.416 -5.937 1.00 0.00 C ATOM 847 C LEU A 57 7.085 1.899 -4.501 1.00 0.00 C ATOM 848 O LEU A 57 6.968 0.699 -4.258 1.00 0.00 O ATOM 849 CB LEU A 57 8.253 3.074 -6.455 1.00 0.00 C ATOM 850 CG LEU A 57 9.509 2.200 -6.444 1.00 0.00 C ATOM 851 CD1 LEU A 57 9.898 1.818 -5.015 1.00 0.00 C ATOM 852 CD2 LEU A 57 9.329 0.971 -7.338 1.00 0.00 C ATOM 0 H LEU A 57 6.113 4.310 -6.191 1.00 0.00 H new ATOM 0 HA LEU A 57 6.807 1.549 -6.577 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.077 3.410 -7.477 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.448 3.964 -5.856 1.00 0.00 H new ATOM 0 HG LEU A 57 10.334 2.781 -6.857 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.794 1.197 -5.035 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.096 2.721 -4.438 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.082 1.263 -4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.236 0.367 -7.313 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.488 0.379 -6.977 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.135 1.291 -8.362 1.00 0.00 H new ATOM 864 N PHE A 58 7.312 2.831 -3.587 1.00 0.00 N ATOM 865 CA PHE A 58 7.441 2.485 -2.182 1.00 0.00 C ATOM 866 C PHE A 58 6.421 1.417 -1.784 1.00 0.00 C ATOM 867 O PHE A 58 6.737 0.505 -1.021 1.00 0.00 O ATOM 868 CB PHE A 58 7.167 3.759 -1.380 1.00 0.00 C ATOM 869 CG PHE A 58 7.164 3.552 0.136 1.00 0.00 C ATOM 870 CD1 PHE A 58 6.131 2.897 0.731 1.00 0.00 C ATOM 871 CD2 PHE A 58 8.194 4.023 0.889 1.00 0.00 C ATOM 872 CE1 PHE A 58 6.129 2.704 2.138 1.00 0.00 C ATOM 873 CE2 PHE A 58 8.191 3.831 2.295 1.00 0.00 C ATOM 874 CZ PHE A 58 7.159 3.176 2.890 1.00 0.00 C ATOM 0 H PHE A 58 7.410 3.825 -3.792 1.00 0.00 H new ATOM 0 HA PHE A 58 8.437 2.088 -1.987 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.921 4.504 -1.633 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.202 4.166 -1.683 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.312 2.524 0.134 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.014 4.543 0.417 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.310 2.183 2.611 1.00 0.00 H new ATOM 0 HE2 PHE A 58 9.009 4.205 2.893 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.157 3.030 3.960 1.00 0.00 H new ATOM 884 N THR A 59 5.217 1.565 -2.318 1.00 0.00 N ATOM 885 CA THR A 59 4.148 0.625 -2.028 1.00 0.00 C ATOM 886 C THR A 59 4.440 -0.730 -2.677 1.00 0.00 C ATOM 887 O THR A 59 4.519 -1.747 -1.991 1.00 0.00 O ATOM 888 CB THR A 59 2.831 1.249 -2.491 1.00 0.00 C ATOM 889 OG1 THR A 59 2.613 2.319 -1.575 1.00 0.00 O ATOM 890 CG2 THR A 59 1.634 0.321 -2.271 1.00 0.00 C ATOM 0 H THR A 59 4.958 2.323 -2.950 1.00 0.00 H new ATOM 0 HA THR A 59 4.073 0.429 -0.958 1.00 0.00 H new ATOM 0 HB THR A 59 2.903 1.505 -3.548 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.227 3.055 -1.779 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.724 0.812 -2.617 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.782 -0.603 -2.830 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.542 0.092 -1.209 1.00 0.00 H new ATOM 898 N ALA A 60 4.591 -0.699 -3.993 1.00 0.00 N ATOM 899 CA ALA A 60 4.872 -1.912 -4.743 1.00 0.00 C ATOM 900 C ALA A 60 5.967 -2.706 -4.028 1.00 0.00 C ATOM 901 O ALA A 60 5.883 -3.929 -3.921 1.00 0.00 O ATOM 902 CB ALA A 60 5.259 -1.548 -6.177 1.00 0.00 C ATOM 0 H ALA A 60 4.524 0.147 -4.559 1.00 0.00 H new ATOM 0 HA ALA A 60 3.986 -2.545 -4.795 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.470 -2.458 -6.739 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.437 -1.011 -6.651 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.147 -0.915 -6.165 1.00 0.00 H new ATOM 908 N PHE A 61 6.969 -1.979 -3.556 1.00 0.00 N ATOM 909 CA PHE A 61 8.079 -2.601 -2.854 1.00 0.00 C ATOM 910 C PHE A 61 7.635 -3.137 -1.491 1.00 0.00 C ATOM 911 O PHE A 61 8.061 -4.213 -1.075 1.00 0.00 O ATOM 912 CB PHE A 61 9.137 -1.516 -2.641 1.00 0.00 C ATOM 913 CG PHE A 61 10.560 -1.958 -2.992 1.00 0.00 C ATOM 914 CD1 PHE A 61 10.942 -2.047 -4.294 1.00 0.00 C ATOM 915 CD2 PHE A 61 11.441 -2.261 -2.001 1.00 0.00 C ATOM 916 CE1 PHE A 61 12.263 -2.457 -4.619 1.00 0.00 C ATOM 917 CE2 PHE A 61 12.761 -2.671 -2.326 1.00 0.00 C ATOM 918 CZ PHE A 61 13.144 -2.760 -3.628 1.00 0.00 C ATOM 0 H PHE A 61 7.035 -0.965 -3.646 1.00 0.00 H new ATOM 0 HA PHE A 61 8.465 -3.438 -3.436 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.878 -0.647 -3.245 1.00 0.00 H new ATOM 0 HB3 PHE A 61 9.113 -1.199 -1.599 1.00 0.00 H new ATOM 0 HD1 PHE A 61 10.242 -1.806 -5.080 1.00 0.00 H new ATOM 0 HD2 PHE A 61 11.137 -2.190 -0.967 1.00 0.00 H new ATOM 0 HE1 PHE A 61 12.568 -2.528 -5.653 1.00 0.00 H new ATOM 0 HE2 PHE A 61 13.461 -2.912 -1.539 1.00 0.00 H new ATOM 0 HZ PHE A 61 14.148 -3.071 -3.875 1.00 0.00 H new ATOM 928 N PHE A 62 6.784 -2.362 -0.835 1.00 0.00 N ATOM 929 CA PHE A 62 6.277 -2.746 0.472 1.00 0.00 C ATOM 930 C PHE A 62 5.410 -4.002 0.376 1.00 0.00 C ATOM 931 O PHE A 62 5.746 -5.038 0.947 1.00 0.00 O ATOM 932 CB PHE A 62 5.419 -1.585 0.977 1.00 0.00 C ATOM 933 CG PHE A 62 5.806 -1.085 2.370 1.00 0.00 C ATOM 934 CD1 PHE A 62 7.064 -0.623 2.601 1.00 0.00 C ATOM 935 CD2 PHE A 62 4.893 -1.102 3.378 1.00 0.00 C ATOM 936 CE1 PHE A 62 7.424 -0.159 3.894 1.00 0.00 C ATOM 937 CE2 PHE A 62 5.252 -0.638 4.670 1.00 0.00 C ATOM 938 CZ PHE A 62 6.510 -0.176 4.901 1.00 0.00 C ATOM 0 H PHE A 62 6.433 -1.470 -1.184 1.00 0.00 H new ATOM 0 HA PHE A 62 7.107 -2.961 1.145 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.494 -0.758 0.271 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.375 -1.898 0.992 1.00 0.00 H new ATOM 0 HD1 PHE A 62 7.789 -0.609 1.801 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.894 -1.469 3.195 1.00 0.00 H new ATOM 0 HE1 PHE A 62 8.423 0.207 4.078 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.526 -0.652 5.470 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.783 0.177 5.884 1.00 0.00 H new ATOM 948 N LEU A 63 4.310 -3.869 -0.351 1.00 0.00 N ATOM 949 CA LEU A 63 3.391 -4.981 -0.528 1.00 0.00 C ATOM 950 C LEU A 63 4.157 -6.187 -1.076 1.00 0.00 C ATOM 951 O LEU A 63 3.897 -7.323 -0.682 1.00 0.00 O ATOM 952 CB LEU A 63 2.203 -4.561 -1.396 1.00 0.00 C ATOM 953 CG LEU A 63 0.838 -4.549 -0.705 1.00 0.00 C ATOM 954 CD1 LEU A 63 0.673 -3.299 0.161 1.00 0.00 C ATOM 955 CD2 LEU A 63 -0.294 -4.694 -1.724 1.00 0.00 C ATOM 0 H LEU A 63 4.035 -3.008 -0.824 1.00 0.00 H new ATOM 0 HA LEU A 63 2.966 -5.281 0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.399 -3.562 -1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.149 -5.233 -2.252 1.00 0.00 H new ATOM 0 HG LEU A 63 0.784 -5.411 -0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.306 -3.315 0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.451 -3.280 0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.756 -2.410 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.253 -4.682 -1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.254 -3.867 -2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.182 -5.636 -2.260 1.00 0.00 H new ATOM 967 N ALA A 64 5.085 -5.899 -1.977 1.00 0.00 N ATOM 968 CA ALA A 64 5.890 -6.946 -2.583 1.00 0.00 C ATOM 969 C ALA A 64 6.661 -7.687 -1.489 1.00 0.00 C ATOM 970 O ALA A 64 6.427 -8.872 -1.254 1.00 0.00 O ATOM 971 CB ALA A 64 6.816 -6.333 -3.636 1.00 0.00 C ATOM 0 H ALA A 64 5.297 -4.956 -2.302 1.00 0.00 H new ATOM 0 HA ALA A 64 5.256 -7.673 -3.090 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.420 -7.118 -4.091 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.219 -5.843 -4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.470 -5.600 -3.163 1.00 0.00 H new ATOM 977 N THR A 65 7.565 -6.960 -0.850 1.00 0.00 N ATOM 978 CA THR A 65 8.372 -7.534 0.214 1.00 0.00 C ATOM 979 C THR A 65 7.476 -8.141 1.295 1.00 0.00 C ATOM 980 O THR A 65 7.924 -8.973 2.082 1.00 0.00 O ATOM 981 CB THR A 65 9.306 -6.443 0.740 1.00 0.00 C ATOM 982 OG1 THR A 65 10.201 -7.138 1.604 1.00 0.00 O ATOM 983 CG2 THR A 65 8.590 -5.455 1.663 1.00 0.00 C ATOM 0 H THR A 65 7.757 -5.978 -1.048 1.00 0.00 H new ATOM 0 HA THR A 65 8.985 -8.356 -0.154 1.00 0.00 H new ATOM 0 HB THR A 65 9.743 -5.904 -0.100 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.737 -7.899 2.012 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.298 -4.701 2.008 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.780 -4.970 1.118 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.181 -5.989 2.521 1.00 0.00 H new ATOM 991 N ILE A 66 6.226 -7.701 1.298 1.00 0.00 N ATOM 992 CA ILE A 66 5.263 -8.191 2.270 1.00 0.00 C ATOM 993 C ILE A 66 4.780 -9.580 1.847 1.00 0.00 C ATOM 994 O ILE A 66 5.164 -10.583 2.447 1.00 0.00 O ATOM 995 CB ILE A 66 4.132 -7.178 2.460 1.00 0.00 C ATOM 996 CG1 ILE A 66 4.562 -6.045 3.393 1.00 0.00 C ATOM 997 CG2 ILE A 66 2.855 -7.867 2.946 1.00 0.00 C ATOM 998 CD1 ILE A 66 3.511 -4.933 3.425 1.00 0.00 C ATOM 0 H ILE A 66 5.858 -7.011 0.643 1.00 0.00 H new ATOM 0 HA ILE A 66 5.730 -8.300 3.249 1.00 0.00 H new ATOM 0 HB ILE A 66 3.908 -6.730 1.492 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.714 -6.436 4.399 1.00 0.00 H new ATOM 0 HG13 ILE A 66 5.517 -5.638 3.061 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.067 -7.125 3.073 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.540 -8.609 2.212 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.047 -8.359 3.900 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.841 -4.140 4.096 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.379 -4.528 2.422 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.564 -5.338 3.781 1.00 0.00 H new ATOM 1010 N MET A 67 3.946 -9.594 0.818 1.00 0.00 N ATOM 1011 CA MET A 67 3.407 -10.843 0.309 1.00 0.00 C ATOM 1012 C MET A 67 4.526 -11.764 -0.182 1.00 0.00 C ATOM 1013 O MET A 67 4.691 -12.872 0.325 1.00 0.00 O ATOM 1014 CB MET A 67 2.443 -10.552 -0.843 1.00 0.00 C ATOM 1015 CG MET A 67 1.025 -10.305 -0.322 1.00 0.00 C ATOM 1016 SD MET A 67 0.767 -8.559 -0.058 1.00 0.00 S ATOM 1017 CE MET A 67 -0.992 -8.548 0.244 1.00 0.00 C ATOM 0 H MET A 67 3.630 -8.760 0.323 1.00 0.00 H new ATOM 0 HA MET A 67 2.878 -11.345 1.119 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.787 -9.680 -1.399 1.00 0.00 H new ATOM 0 HB3 MET A 67 2.438 -11.391 -1.538 1.00 0.00 H new ATOM 0 HG2 MET A 67 0.295 -10.685 -1.037 1.00 0.00 H new ATOM 0 HG3 MET A 67 0.871 -10.849 0.610 1.00 0.00 H new ATOM 0 HE1 MET A 67 -1.323 -7.526 0.429 1.00 0.00 H new ATOM 0 HE2 MET A 67 -1.513 -8.946 -0.627 1.00 0.00 H new ATOM 0 HE3 MET A 67 -1.216 -9.165 1.114 1.00 0.00 H new ATOM 1027 N GLY A 68 5.266 -11.270 -1.164 1.00 0.00 N ATOM 1028 CA GLY A 68 6.365 -12.034 -1.729 1.00 0.00 C ATOM 1029 C GLY A 68 6.343 -11.977 -3.258 1.00 0.00 C ATOM 1030 O GLY A 68 6.530 -12.995 -3.924 1.00 0.00 O ATOM 0 H GLY A 68 5.126 -10.350 -1.583 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.313 -11.642 -1.360 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.299 -13.071 -1.399 1.00 0.00 H new ATOM 1245 N ALA A 80 2.976 -9.437 -10.232 1.00 0.00 N ATOM 1246 CA ALA A 80 2.698 -8.864 -11.538 1.00 0.00 C ATOM 1247 C ALA A 80 1.784 -7.648 -11.372 1.00 0.00 C ATOM 1248 O ALA A 80 2.102 -6.558 -11.846 1.00 0.00 O ATOM 1249 CB ALA A 80 2.087 -9.933 -12.446 1.00 0.00 C ATOM 0 HA ALA A 80 3.619 -8.523 -12.011 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.879 -9.503 -13.426 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.787 -10.761 -12.555 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.159 -10.298 -12.005 1.00 0.00 H new ATOM 1255 N GLY A 81 0.667 -7.875 -10.697 1.00 0.00 N ATOM 1256 CA GLY A 81 -0.296 -6.812 -10.463 1.00 0.00 C ATOM 1257 C GLY A 81 0.303 -5.716 -9.579 1.00 0.00 C ATOM 1258 O GLY A 81 -0.121 -4.563 -9.641 1.00 0.00 O ATOM 0 H GLY A 81 0.407 -8.780 -10.304 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.611 -6.385 -11.415 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.187 -7.222 -9.987 1.00 0.00 H new ATOM 1262 N LEU A 82 1.279 -6.114 -8.776 1.00 0.00 N ATOM 1263 CA LEU A 82 1.939 -5.180 -7.880 1.00 0.00 C ATOM 1264 C LEU A 82 2.605 -4.076 -8.703 1.00 0.00 C ATOM 1265 O LEU A 82 2.062 -2.979 -8.831 1.00 0.00 O ATOM 1266 CB LEU A 82 2.904 -5.920 -6.951 1.00 0.00 C ATOM 1267 CG LEU A 82 2.537 -5.918 -5.465 1.00 0.00 C ATOM 1268 CD1 LEU A 82 2.215 -4.503 -4.982 1.00 0.00 C ATOM 1269 CD2 LEU A 82 1.395 -6.895 -5.181 1.00 0.00 C ATOM 0 H LEU A 82 1.629 -7.071 -8.727 1.00 0.00 H new ATOM 0 HA LEU A 82 1.211 -4.698 -7.228 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.978 -6.955 -7.286 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.894 -5.478 -7.061 1.00 0.00 H new ATOM 0 HG LEU A 82 3.403 -6.262 -4.899 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.958 -4.530 -3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.084 -3.862 -5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.373 -4.107 -5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.154 -6.874 -4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.517 -6.606 -5.758 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.699 -7.903 -5.464 1.00 0.00 H new ATOM 1281 N VAL A 83 3.771 -4.403 -9.241 1.00 0.00 N ATOM 1282 CA VAL A 83 4.516 -3.452 -10.048 1.00 0.00 C ATOM 1283 C VAL A 83 3.598 -2.875 -11.127 1.00 0.00 C ATOM 1284 O VAL A 83 3.616 -1.672 -11.384 1.00 0.00 O ATOM 1285 CB VAL A 83 5.767 -4.120 -10.622 1.00 0.00 C ATOM 1286 CG1 VAL A 83 6.929 -4.055 -9.628 1.00 0.00 C ATOM 1287 CG2 VAL A 83 5.477 -5.565 -11.034 1.00 0.00 C ATOM 0 H VAL A 83 4.218 -5.314 -9.134 1.00 0.00 H new ATOM 0 HA VAL A 83 4.860 -2.619 -9.435 1.00 0.00 H new ATOM 0 HB VAL A 83 6.060 -3.570 -11.516 1.00 0.00 H new ATOM 0 HG11 VAL A 83 7.806 -4.537 -10.061 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.160 -3.013 -9.406 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.650 -4.569 -8.708 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.383 -6.017 -11.439 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.146 -6.132 -10.164 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.695 -5.577 -11.793 1.00 0.00 H new ATOM 1297 N ALA A 84 2.816 -3.760 -11.728 1.00 0.00 N ATOM 1298 CA ALA A 84 1.892 -3.353 -12.774 1.00 0.00 C ATOM 1299 C ALA A 84 0.956 -2.273 -12.229 1.00 0.00 C ATOM 1300 O ALA A 84 0.509 -1.401 -12.973 1.00 0.00 O ATOM 1301 CB ALA A 84 1.132 -4.578 -13.288 1.00 0.00 C ATOM 0 H ALA A 84 2.803 -4.757 -11.511 1.00 0.00 H new ATOM 0 HA ALA A 84 2.432 -2.926 -13.619 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.439 -4.274 -14.072 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.840 -5.303 -13.690 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.575 -5.031 -12.468 1.00 0.00 H new ATOM 1307 N GLY A 85 0.688 -2.365 -10.935 1.00 0.00 N ATOM 1308 CA GLY A 85 -0.187 -1.406 -10.282 1.00 0.00 C ATOM 1309 C GLY A 85 0.521 -0.064 -10.084 1.00 0.00 C ATOM 1310 O GLY A 85 -0.039 0.989 -10.386 1.00 0.00 O ATOM 0 H GLY A 85 1.061 -3.089 -10.321 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.086 -1.262 -10.881 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.507 -1.799 -9.317 1.00 0.00 H new ATOM 1314 N LEU A 86 1.742 -0.145 -9.577 1.00 0.00 N ATOM 1315 CA LEU A 86 2.533 1.050 -9.335 1.00 0.00 C ATOM 1316 C LEU A 86 2.607 1.877 -10.620 1.00 0.00 C ATOM 1317 O LEU A 86 2.420 3.092 -10.592 1.00 0.00 O ATOM 1318 CB LEU A 86 3.903 0.679 -8.763 1.00 0.00 C ATOM 1319 CG LEU A 86 5.062 0.653 -9.761 1.00 0.00 C ATOM 1320 CD1 LEU A 86 5.520 2.072 -10.106 1.00 0.00 C ATOM 1321 CD2 LEU A 86 6.213 -0.211 -9.243 1.00 0.00 C ATOM 0 H LEU A 86 2.203 -1.020 -9.327 1.00 0.00 H new ATOM 0 HA LEU A 86 2.056 1.675 -8.580 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.148 1.387 -7.971 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.827 -0.305 -8.299 1.00 0.00 H new ATOM 0 HG LEU A 86 4.707 0.195 -10.685 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.345 2.025 -10.817 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.691 2.625 -10.548 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.851 2.578 -9.199 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.024 -0.212 -9.972 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.575 0.194 -8.298 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.862 -1.231 -9.090 1.00 0.00 H new ATOM 1333 N SER A 87 2.879 1.184 -11.716 1.00 0.00 N ATOM 1334 CA SER A 87 2.979 1.839 -13.009 1.00 0.00 C ATOM 1335 C SER A 87 1.626 2.435 -13.401 1.00 0.00 C ATOM 1336 O SER A 87 1.524 3.631 -13.670 1.00 0.00 O ATOM 1337 CB SER A 87 3.461 0.864 -14.085 1.00 0.00 C ATOM 1338 OG SER A 87 4.880 0.872 -14.217 1.00 0.00 O ATOM 0 H SER A 87 3.033 0.176 -11.735 1.00 0.00 H new ATOM 0 HA SER A 87 3.712 2.641 -12.929 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.126 -0.143 -13.838 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.007 1.125 -15.041 1.00 0.00 H new ATOM 0 HG SER A 87 5.147 0.235 -14.912 1.00 0.00 H new ATOM 1344 N LEU A 88 0.619 1.574 -13.420 1.00 0.00 N ATOM 1345 CA LEU A 88 -0.724 2.000 -13.773 1.00 0.00 C ATOM 1346 C LEU A 88 -1.127 3.186 -12.894 1.00 0.00 C ATOM 1347 O LEU A 88 -1.991 3.977 -13.269 1.00 0.00 O ATOM 1348 CB LEU A 88 -1.697 0.822 -13.700 1.00 0.00 C ATOM 1349 CG LEU A 88 -3.038 1.014 -14.411 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -3.546 -0.308 -14.990 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -4.064 1.664 -13.482 1.00 0.00 C ATOM 0 H LEU A 88 0.707 0.583 -13.196 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.754 2.345 -14.807 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.207 -0.055 -14.122 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.893 0.603 -12.650 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.885 1.695 -15.248 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.501 -0.143 -15.490 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.822 -0.693 -15.708 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.678 -1.031 -14.185 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.008 1.789 -14.013 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.219 1.029 -12.610 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.697 2.639 -13.160 1.00 0.00 H new ATOM 1363 N MET A 89 -0.481 3.272 -11.740 1.00 0.00 N ATOM 1364 CA MET A 89 -0.761 4.347 -10.804 1.00 0.00 C ATOM 1365 C MET A 89 -0.153 5.666 -11.286 1.00 0.00 C ATOM 1366 O MET A 89 -0.876 6.587 -11.662 1.00 0.00 O ATOM 1367 CB MET A 89 -0.187 3.992 -9.431 1.00 0.00 C ATOM 1368 CG MET A 89 -1.051 4.571 -8.309 1.00 0.00 C ATOM 1369 SD MET A 89 -0.115 5.771 -7.376 1.00 0.00 S ATOM 1370 CE MET A 89 -0.146 7.144 -8.517 1.00 0.00 C ATOM 0 H MET A 89 0.235 2.614 -11.432 1.00 0.00 H new ATOM 0 HA MET A 89 -1.842 4.470 -10.735 1.00 0.00 H new ATOM 0 HB2 MET A 89 -0.128 2.909 -9.327 1.00 0.00 H new ATOM 0 HB3 MET A 89 0.829 4.377 -9.347 1.00 0.00 H new ATOM 0 HG2 MET A 89 -1.942 5.039 -8.729 1.00 0.00 H new ATOM 0 HG3 MET A 89 -1.391 3.771 -7.651 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.271 8.075 -7.963 1.00 0.00 H new ATOM 0 HE2 MET A 89 0.791 7.176 -9.074 1.00 0.00 H new ATOM 0 HE3 MET A 89 -0.977 7.021 -9.212 1.00 0.00 H new ATOM 1380 N MET A 90 1.171 5.714 -11.260 1.00 0.00 N ATOM 1381 CA MET A 90 1.885 6.905 -11.689 1.00 0.00 C ATOM 1382 C MET A 90 1.376 7.388 -13.049 1.00 0.00 C ATOM 1383 O MET A 90 1.483 8.571 -13.371 1.00 0.00 O ATOM 1384 CB MET A 90 3.381 6.597 -11.783 1.00 0.00 C ATOM 1385 CG MET A 90 3.641 5.423 -12.729 1.00 0.00 C ATOM 1386 SD MET A 90 5.229 5.617 -13.520 1.00 0.00 S ATOM 1387 CE MET A 90 6.191 4.449 -12.573 1.00 0.00 C ATOM 0 H MET A 90 1.768 4.948 -10.949 1.00 0.00 H new ATOM 0 HA MET A 90 1.713 7.694 -10.956 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.916 7.479 -12.136 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.771 6.363 -10.792 1.00 0.00 H new ATOM 0 HG2 MET A 90 3.614 4.485 -12.174 1.00 0.00 H new ATOM 0 HG3 MET A 90 2.854 5.371 -13.482 1.00 0.00 H new ATOM 0 HE1 MET A 90 7.251 4.604 -12.773 1.00 0.00 H new ATOM 0 HE2 MET A 90 5.998 4.595 -11.510 1.00 0.00 H new ATOM 0 HE3 MET A 90 5.912 3.434 -12.856 1.00 0.00 H new ATOM 1397 N ILE A 91 0.835 6.449 -13.811 1.00 0.00 N ATOM 1398 CA ILE A 91 0.310 6.764 -15.128 1.00 0.00 C ATOM 1399 C ILE A 91 -1.090 7.365 -14.984 1.00 0.00 C ATOM 1400 O ILE A 91 -1.401 8.379 -15.607 1.00 0.00 O ATOM 1401 CB ILE A 91 0.360 5.532 -16.034 1.00 0.00 C ATOM 1402 CG1 ILE A 91 1.763 5.332 -16.611 1.00 0.00 C ATOM 1403 CG2 ILE A 91 -0.704 5.613 -17.130 1.00 0.00 C ATOM 1404 CD1 ILE A 91 1.992 3.872 -17.005 1.00 0.00 C ATOM 0 H ILE A 91 0.749 5.469 -13.541 1.00 0.00 H new ATOM 0 HA ILE A 91 0.931 7.515 -15.616 1.00 0.00 H new ATOM 0 HB ILE A 91 0.132 4.654 -15.429 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.896 5.973 -17.483 1.00 0.00 H new ATOM 0 HG13 ILE A 91 2.509 5.635 -15.876 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.646 4.725 -17.759 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.692 5.671 -16.674 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.533 6.501 -17.739 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.997 3.758 -17.412 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.882 3.237 -16.126 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.260 3.579 -17.758 1.00 0.00 H new ATOM 1416 N LEU A 92 -1.897 6.713 -14.160 1.00 0.00 N ATOM 1417 CA LEU A 92 -3.256 7.170 -13.926 1.00 0.00 C ATOM 1418 C LEU A 92 -3.225 8.615 -13.425 1.00 0.00 C ATOM 1419 O LEU A 92 -4.159 9.379 -13.662 1.00 0.00 O ATOM 1420 CB LEU A 92 -3.991 6.210 -12.988 1.00 0.00 C ATOM 1421 CG LEU A 92 -4.886 6.859 -11.931 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -5.971 5.888 -11.461 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -4.056 7.398 -10.765 1.00 0.00 C ATOM 0 H LEU A 92 -1.636 5.872 -13.646 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.824 7.167 -14.857 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.603 5.541 -13.592 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.251 5.593 -12.479 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.391 7.711 -12.387 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.594 6.374 -10.710 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.589 5.594 -12.310 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.505 5.003 -11.028 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.717 7.854 -10.028 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.505 6.579 -10.301 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.353 8.145 -11.134 1.00 0.00 H new ATOM 1435 N ARG A 93 -2.140 8.947 -12.741 1.00 0.00 N ATOM 1436 CA ARG A 93 -1.974 10.287 -12.205 1.00 0.00 C ATOM 1437 C ARG A 93 -1.423 11.226 -13.280 1.00 0.00 C ATOM 1438 O ARG A 93 -1.987 12.290 -13.529 1.00 0.00 O ATOM 1439 CB ARG A 93 -1.026 10.287 -11.004 1.00 0.00 C ATOM 1440 CG ARG A 93 -1.804 10.387 -9.691 1.00 0.00 C ATOM 1441 CD ARG A 93 -2.415 11.780 -9.520 1.00 0.00 C ATOM 1442 NE ARG A 93 -3.224 11.830 -8.282 1.00 0.00 N ATOM 1443 CZ ARG A 93 -4.075 12.820 -7.981 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -4.234 13.848 -8.825 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -4.768 12.782 -6.834 1.00 0.00 N ATOM 0 H ARG A 93 -1.367 8.311 -12.546 1.00 0.00 H new ATOM 0 HA ARG A 93 -2.954 10.637 -11.880 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.428 9.375 -11.008 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.332 11.124 -11.084 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.593 9.635 -9.674 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.140 10.172 -8.854 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.625 12.530 -9.478 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.038 12.021 -10.381 1.00 0.00 H new ATOM 0 HE ARG A 93 -3.128 11.063 -7.616 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -3.707 13.878 -9.698 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.882 14.601 -8.595 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -4.647 12.000 -6.191 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.416 13.536 -6.604 1.00 0.00 H new ATOM 1459 N LEU A 94 -0.328 10.796 -13.890 1.00 0.00 N ATOM 1460 CA LEU A 94 0.305 11.585 -14.934 1.00 0.00 C ATOM 1461 C LEU A 94 -0.657 11.727 -16.115 1.00 0.00 C ATOM 1462 O LEU A 94 -0.480 12.600 -16.963 1.00 0.00 O ATOM 1463 CB LEU A 94 1.659 10.982 -15.313 1.00 0.00 C ATOM 1464 CG LEU A 94 2.730 11.974 -15.773 1.00 0.00 C ATOM 1465 CD1 LEU A 94 3.798 12.167 -14.694 1.00 0.00 C ATOM 1466 CD2 LEU A 94 3.337 11.545 -17.110 1.00 0.00 C ATOM 0 H LEU A 94 0.137 9.912 -13.682 1.00 0.00 H new ATOM 0 HA LEU A 94 0.519 12.592 -14.574 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.044 10.435 -14.453 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.500 10.254 -16.109 1.00 0.00 H new ATOM 0 HG LEU A 94 2.254 12.942 -15.932 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.547 12.876 -15.046 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.333 12.551 -13.786 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.276 11.211 -14.480 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.095 12.267 -17.414 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.795 10.562 -17.003 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.554 11.500 -17.867 1.00 0.00 H new ATOM 1478 N VAL A 95 -1.655 10.855 -16.132 1.00 0.00 N ATOM 1479 CA VAL A 95 -2.645 10.873 -17.195 1.00 0.00 C ATOM 1480 C VAL A 95 -3.566 12.080 -17.008 1.00 0.00 C ATOM 1481 O VAL A 95 -3.476 13.056 -17.751 1.00 0.00 O ATOM 1482 CB VAL A 95 -3.402 9.543 -17.227 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -4.768 9.706 -17.898 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -2.575 8.459 -17.922 1.00 0.00 C ATOM 0 H VAL A 95 -1.799 10.132 -15.427 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.161 10.981 -18.166 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.570 9.228 -16.197 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.285 8.747 -17.908 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.362 10.433 -17.343 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.631 10.055 -18.922 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.135 7.524 -17.931 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.362 8.765 -18.946 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.638 8.315 -17.384 1.00 0.00 H new ATOM 1494 N LEU A 96 -4.432 11.975 -16.010 1.00 0.00 N ATOM 1495 CA LEU A 96 -5.369 13.046 -15.716 1.00 0.00 C ATOM 1496 C LEU A 96 -4.601 14.360 -15.557 1.00 0.00 C ATOM 1497 O LEU A 96 -5.117 15.428 -15.882 1.00 0.00 O ATOM 1498 CB LEU A 96 -6.231 12.686 -14.505 1.00 0.00 C ATOM 1499 CG LEU A 96 -5.684 13.115 -13.141 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -6.498 14.275 -12.564 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -5.617 11.927 -12.179 1.00 0.00 C ATOM 0 H LEU A 96 -4.504 11.164 -15.395 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.065 13.182 -16.544 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.215 13.136 -14.638 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.374 11.605 -14.494 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.665 13.475 -13.279 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.089 14.560 -11.595 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.450 15.126 -13.243 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.536 13.966 -12.442 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.225 12.259 -11.218 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.616 11.514 -12.041 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.962 11.160 -12.593 1.00 0.00 H new