USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 519 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 THR OG1 : rot -0:sc= 0.756 USER MOD Single : A 13 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00242) USER MOD Single : A 16 CYS SG : rot 72:sc= 0.252 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.12) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0237 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0181 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc=-0.00371 X(o=-0.0037,f=-0.48) USER MOD Single : A 66 SER OG : rot 83:sc= 1.25 USER MOD Single : A 67 SER OG : rot -170:sc= -0.0678 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.197 USER MOD ----------------------------------------------------------------- ATOM 127 N THR A 11 -6.143 1.145 -26.638 1.00 72.33 N ATOM 128 CA THR A 11 -6.758 2.402 -27.048 1.00 50.22 C ATOM 129 C THR A 11 -5.734 3.510 -27.224 1.00 13.31 C ATOM 130 O THR A 11 -5.948 4.428 -28.012 1.00 53.21 O ATOM 131 CB THR A 11 -7.724 2.877 -25.952 1.00 33.40 C ATOM 132 OG1 THR A 11 -7.521 2.067 -24.782 1.00 45.51 O ATOM 133 CG2 THR A 11 -9.149 2.755 -26.393 1.00 75.31 C ATOM 0 HA THR A 11 -7.262 2.212 -27.996 1.00 50.22 H new ATOM 0 HB THR A 11 -7.524 3.927 -25.738 1.00 33.40 H new ATOM 0 HG1 THR A 11 -6.821 1.404 -24.960 1.00 45.51 H new ATOM 0 HG21 THR A 11 -9.807 3.099 -25.595 1.00 75.31 H new ATOM 0 HG22 THR A 11 -9.308 3.364 -27.283 1.00 75.31 H new ATOM 0 HG23 THR A 11 -9.371 1.713 -26.622 1.00 75.31 H new ATOM 141 N GLU A 12 -4.687 3.482 -26.416 1.00 21.15 N ATOM 142 CA GLU A 12 -3.754 4.598 -26.352 1.00 41.01 C ATOM 143 C GLU A 12 -3.058 4.809 -27.671 1.00 0.42 C ATOM 144 O GLU A 12 -2.959 5.925 -28.151 1.00 25.11 O ATOM 145 CB GLU A 12 -2.757 4.352 -25.210 1.00 3.44 C ATOM 146 CG GLU A 12 -3.461 4.149 -23.876 1.00 11.12 C ATOM 147 CD GLU A 12 -2.542 3.829 -22.724 1.00 14.50 C ATOM 148 OE1 GLU A 12 -1.376 4.218 -22.727 1.00 41.30 O ATOM 149 OE2 GLU A 12 -3.021 3.146 -21.783 1.00 72.40 O ATOM 0 H GLU A 12 -4.461 2.703 -25.797 1.00 21.15 H new ATOM 0 HA GLU A 12 -4.303 5.517 -26.146 1.00 41.01 H new ATOM 0 HB2 GLU A 12 -2.152 3.474 -25.439 1.00 3.44 H new ATOM 0 HB3 GLU A 12 -2.075 5.199 -25.135 1.00 3.44 H new ATOM 0 HG2 GLU A 12 -4.023 5.051 -23.636 1.00 11.12 H new ATOM 0 HG3 GLU A 12 -4.185 3.341 -23.981 1.00 11.12 H new ATOM 156 N LYS A 13 -2.652 3.724 -28.297 1.00 10.22 N ATOM 157 CA LYS A 13 -1.988 3.803 -29.587 1.00 12.32 C ATOM 158 C LYS A 13 -2.919 4.248 -30.719 1.00 2.43 C ATOM 159 O LYS A 13 -2.472 4.828 -31.712 1.00 65.51 O ATOM 160 CB LYS A 13 -1.332 2.478 -29.950 1.00 25.52 C ATOM 161 CG LYS A 13 -2.285 1.296 -30.126 1.00 62.34 C ATOM 162 CD LYS A 13 -1.578 -0.009 -30.517 1.00 53.05 C ATOM 163 CE LYS A 13 -0.797 0.100 -31.843 1.00 15.14 C ATOM 164 NZ LYS A 13 -1.623 0.591 -33.005 1.00 63.15 N ATOM 0 H LYS A 13 -2.769 2.777 -27.936 1.00 10.22 H new ATOM 0 HA LYS A 13 -1.221 4.570 -29.479 1.00 12.32 H new ATOM 0 HB2 LYS A 13 -0.773 2.612 -30.876 1.00 25.52 H new ATOM 0 HB3 LYS A 13 -0.609 2.226 -29.174 1.00 25.52 H new ATOM 0 HG2 LYS A 13 -2.832 1.139 -29.196 1.00 62.34 H new ATOM 0 HG3 LYS A 13 -3.021 1.544 -30.891 1.00 62.34 H new ATOM 0 HD2 LYS A 13 -0.892 -0.296 -29.720 1.00 53.05 H new ATOM 0 HD3 LYS A 13 -2.318 -0.805 -30.602 1.00 53.05 H new ATOM 0 HE2 LYS A 13 0.047 0.774 -31.701 1.00 15.14 H new ATOM 0 HE3 LYS A 13 -0.385 -0.878 -32.091 1.00 15.14 H new ATOM 0 HZ1 LYS A 13 -1.034 0.621 -33.862 1.00 63.15 H new ATOM 0 HZ2 LYS A 13 -2.424 -0.054 -33.158 1.00 63.15 H new ATOM 0 HZ3 LYS A 13 -1.981 1.545 -32.798 1.00 63.15 H new ATOM 178 N VAL A 14 -4.214 3.994 -30.576 1.00 63.12 N ATOM 179 CA VAL A 14 -5.189 4.410 -31.592 1.00 52.40 C ATOM 180 C VAL A 14 -5.290 5.926 -31.495 1.00 54.24 C ATOM 181 O VAL A 14 -5.230 6.638 -32.488 1.00 32.13 O ATOM 182 CB VAL A 14 -6.593 3.781 -31.361 1.00 74.24 C ATOM 183 CG1 VAL A 14 -7.615 4.306 -32.388 1.00 42.32 C ATOM 184 CG2 VAL A 14 -6.528 2.264 -31.468 1.00 12.35 C ATOM 0 H VAL A 14 -4.617 3.507 -29.776 1.00 63.12 H new ATOM 0 HA VAL A 14 -4.858 4.075 -32.575 1.00 52.40 H new ATOM 0 HB VAL A 14 -6.912 4.066 -30.359 1.00 74.24 H new ATOM 0 HG11 VAL A 14 -8.587 3.848 -32.201 1.00 42.32 H new ATOM 0 HG12 VAL A 14 -7.700 5.389 -32.296 1.00 42.32 H new ATOM 0 HG13 VAL A 14 -7.282 4.053 -33.395 1.00 42.32 H new ATOM 0 HG21 VAL A 14 -7.521 1.845 -31.303 1.00 12.35 H new ATOM 0 HG22 VAL A 14 -6.176 1.984 -32.461 1.00 12.35 H new ATOM 0 HG23 VAL A 14 -5.841 1.875 -30.717 1.00 12.35 H new ATOM 194 N LEU A 15 -5.396 6.412 -30.273 1.00 14.41 N ATOM 195 CA LEU A 15 -5.509 7.841 -30.011 1.00 2.53 C ATOM 196 C LEU A 15 -4.237 8.582 -30.389 1.00 32.14 C ATOM 197 O LEU A 15 -4.314 9.672 -30.933 1.00 55.15 O ATOM 198 CB LEU A 15 -5.813 8.047 -28.539 1.00 75.53 C ATOM 199 CG LEU A 15 -7.231 7.597 -28.147 1.00 3.41 C ATOM 200 CD1 LEU A 15 -7.190 7.212 -26.711 1.00 63.44 C ATOM 201 CD2 LEU A 15 -8.269 8.682 -28.396 1.00 1.23 C ATOM 0 H LEU A 15 -5.407 5.832 -29.434 1.00 14.41 H new ATOM 0 HA LEU A 15 -6.316 8.245 -30.623 1.00 2.53 H new ATOM 0 HB2 LEU A 15 -5.086 7.496 -27.943 1.00 75.53 H new ATOM 0 HB3 LEU A 15 -5.692 9.102 -28.293 1.00 75.53 H new ATOM 0 HG LEU A 15 -7.533 6.752 -28.766 1.00 3.41 H new ATOM 0 HD11 LEU A 15 -8.180 6.886 -26.393 1.00 63.44 H new ATOM 0 HD12 LEU A 15 -6.478 6.398 -26.573 1.00 63.44 H new ATOM 0 HD13 LEU A 15 -6.881 8.070 -26.113 1.00 63.44 H new ATOM 0 HD21 LEU A 15 -9.254 8.317 -28.104 1.00 1.23 H new ATOM 0 HD22 LEU A 15 -8.020 9.565 -27.808 1.00 1.23 H new ATOM 0 HD23 LEU A 15 -8.277 8.941 -29.455 1.00 1.23 H new ATOM 213 N CYS A 16 -3.079 7.973 -30.156 1.00 13.44 N ATOM 214 CA CYS A 16 -1.817 8.568 -30.594 1.00 70.44 C ATOM 215 C CYS A 16 -1.849 8.819 -32.100 1.00 75.50 C ATOM 216 O CYS A 16 -1.460 9.876 -32.562 1.00 43.41 O ATOM 217 CB CYS A 16 -0.649 7.630 -30.274 1.00 13.34 C ATOM 218 SG CYS A 16 -0.182 7.556 -28.529 1.00 25.15 S ATOM 0 H CYS A 16 -2.986 7.079 -29.673 1.00 13.44 H new ATOM 0 HA CYS A 16 -1.683 9.512 -30.066 1.00 70.44 H new ATOM 0 HB2 CYS A 16 -0.908 6.625 -30.608 1.00 13.34 H new ATOM 0 HB3 CYS A 16 0.219 7.945 -30.854 1.00 13.34 H new ATOM 0 HG CYS A 16 -1.096 6.917 -27.862 1.00 25.15 H new ATOM 224 N ALA A 17 -2.333 7.868 -32.878 1.00 10.02 N ATOM 225 CA ALA A 17 -2.393 8.065 -34.323 1.00 33.51 C ATOM 226 C ALA A 17 -3.417 9.147 -34.711 1.00 0.35 C ATOM 227 O ALA A 17 -3.164 9.951 -35.593 1.00 52.20 O ATOM 228 CB ALA A 17 -2.720 6.730 -35.025 1.00 63.42 C ATOM 0 H ALA A 17 -2.684 6.969 -32.548 1.00 10.02 H new ATOM 0 HA ALA A 17 -1.415 8.413 -34.654 1.00 33.51 H new ATOM 0 HB1 ALA A 17 -2.763 6.887 -36.103 1.00 63.42 H new ATOM 0 HB2 ALA A 17 -1.945 5.999 -34.795 1.00 63.42 H new ATOM 0 HB3 ALA A 17 -3.683 6.361 -34.674 1.00 63.42 H new ATOM 234 N LEU A 18 -4.547 9.195 -34.015 1.00 21.24 N ATOM 235 CA LEU A 18 -5.566 10.220 -34.277 1.00 62.33 C ATOM 236 C LEU A 18 -5.041 11.608 -33.975 1.00 23.33 C ATOM 237 O LEU A 18 -5.401 12.579 -34.643 1.00 42.54 O ATOM 238 CB LEU A 18 -6.824 9.982 -33.424 1.00 70.13 C ATOM 239 CG LEU A 18 -7.703 8.778 -33.783 1.00 40.15 C ATOM 240 CD1 LEU A 18 -8.948 8.786 -32.892 1.00 71.44 C ATOM 241 CD2 LEU A 18 -8.088 8.837 -35.248 1.00 43.11 C ATOM 0 H LEU A 18 -4.786 8.543 -33.268 1.00 21.24 H new ATOM 0 HA LEU A 18 -5.819 10.147 -35.335 1.00 62.33 H new ATOM 0 HB2 LEU A 18 -6.511 9.873 -32.386 1.00 70.13 H new ATOM 0 HB3 LEU A 18 -7.442 10.878 -33.478 1.00 70.13 H new ATOM 0 HG LEU A 18 -7.152 7.853 -33.615 1.00 40.15 H new ATOM 0 HD11 LEU A 18 -9.579 7.933 -33.141 1.00 71.44 H new ATOM 0 HD12 LEU A 18 -8.647 8.722 -31.846 1.00 71.44 H new ATOM 0 HD13 LEU A 18 -9.505 9.709 -33.054 1.00 71.44 H new ATOM 0 HD21 LEU A 18 -8.712 7.978 -35.495 1.00 43.11 H new ATOM 0 HD22 LEU A 18 -8.641 9.756 -35.442 1.00 43.11 H new ATOM 0 HD23 LEU A 18 -7.187 8.819 -35.862 1.00 43.11 H new ATOM 253 N TYR A 19 -4.179 11.723 -32.976 1.00 22.32 N ATOM 254 CA TYR A 19 -3.579 12.999 -32.649 1.00 0.04 C ATOM 255 C TYR A 19 -2.723 13.394 -33.843 1.00 12.51 C ATOM 256 O TYR A 19 -2.810 14.507 -34.309 1.00 45.33 O ATOM 257 CB TYR A 19 -2.686 12.892 -31.421 1.00 44.35 C ATOM 258 CG TYR A 19 -3.350 13.068 -30.061 1.00 4.13 C ATOM 259 CD1 TYR A 19 -4.599 12.497 -29.774 1.00 43.31 C ATOM 260 CD2 TYR A 19 -2.663 13.753 -29.011 1.00 32.44 C ATOM 261 CE1 TYR A 19 -5.164 12.597 -28.467 1.00 1.40 C ATOM 262 CE2 TYR A 19 -3.249 13.866 -27.722 1.00 30.22 C ATOM 263 CZ TYR A 19 -4.491 13.309 -27.475 1.00 12.22 C ATOM 264 OH TYR A 19 -5.046 13.434 -26.221 1.00 65.33 O ATOM 0 H TYR A 19 -3.883 10.949 -32.382 1.00 22.32 H new ATOM 0 HA TYR A 19 -4.357 13.732 -32.433 1.00 0.04 H new ATOM 0 HB2 TYR A 19 -2.204 11.915 -31.438 1.00 44.35 H new ATOM 0 HB3 TYR A 19 -1.897 13.638 -31.511 1.00 44.35 H new ATOM 0 HD1 TYR A 19 -5.139 11.976 -30.551 1.00 43.31 H new ATOM 0 HD2 TYR A 19 -1.692 14.187 -29.199 1.00 32.44 H new ATOM 0 HE1 TYR A 19 -6.109 12.123 -28.247 1.00 1.40 H new ATOM 0 HE2 TYR A 19 -2.725 14.387 -26.934 1.00 30.22 H new ATOM 0 HH TYR A 19 -4.448 13.959 -25.649 1.00 65.33 H new ATOM 274 N ALA A 20 -1.908 12.468 -34.345 1.00 21.31 N ATOM 275 CA ALA A 20 -1.002 12.770 -35.459 1.00 11.51 C ATOM 276 C ALA A 20 -1.766 13.276 -36.699 1.00 35.42 C ATOM 277 O ALA A 20 -1.346 14.229 -37.346 1.00 5.23 O ATOM 278 CB ALA A 20 -0.172 11.527 -35.828 1.00 32.24 C ATOM 0 H ALA A 20 -1.854 11.508 -34.003 1.00 21.31 H new ATOM 0 HA ALA A 20 -0.335 13.566 -35.128 1.00 11.51 H new ATOM 0 HB1 ALA A 20 0.495 11.767 -36.656 1.00 32.24 H new ATOM 0 HB2 ALA A 20 0.418 11.214 -34.966 1.00 32.24 H new ATOM 0 HB3 ALA A 20 -0.840 10.718 -36.124 1.00 32.24 H new ATOM 284 N GLU A 21 -2.874 12.617 -37.027 1.00 42.13 N ATOM 285 CA GLU A 21 -3.667 12.973 -38.212 1.00 75.44 C ATOM 286 C GLU A 21 -4.146 14.423 -38.167 1.00 50.33 C ATOM 287 O GLU A 21 -4.155 15.137 -39.166 1.00 40.42 O ATOM 288 CB GLU A 21 -4.922 12.102 -38.297 1.00 71.13 C ATOM 289 CG GLU A 21 -4.706 10.650 -38.712 1.00 75.21 C ATOM 290 CD GLU A 21 -6.028 9.883 -38.777 1.00 23.44 C ATOM 291 OE1 GLU A 21 -7.087 10.472 -38.466 1.00 11.44 O ATOM 292 OE2 GLU A 21 -6.018 8.684 -39.122 1.00 31.25 O ATOM 0 H GLU A 21 -3.247 11.833 -36.492 1.00 42.13 H new ATOM 0 HA GLU A 21 -3.013 12.822 -39.071 1.00 75.44 H new ATOM 0 HB2 GLU A 21 -5.412 12.111 -37.323 1.00 71.13 H new ATOM 0 HB3 GLU A 21 -5.611 12.562 -39.005 1.00 71.13 H new ATOM 0 HG2 GLU A 21 -4.217 10.618 -39.686 1.00 75.21 H new ATOM 0 HG3 GLU A 21 -4.036 10.164 -38.003 1.00 75.21 H new ATOM 299 N ILE A 22 -4.626 14.819 -36.991 1.00 22.14 N ATOM 300 CA ILE A 22 -5.283 16.109 -36.819 1.00 32.45 C ATOM 301 C ILE A 22 -4.272 17.221 -36.588 1.00 0.33 C ATOM 302 O ILE A 22 -4.438 18.337 -37.082 1.00 2.22 O ATOM 303 CB ILE A 22 -6.282 16.012 -35.649 1.00 51.40 C ATOM 304 CG1 ILE A 22 -7.397 15.029 -36.040 1.00 72.35 C ATOM 305 CG2 ILE A 22 -6.888 17.389 -35.296 1.00 73.53 C ATOM 306 CD1 ILE A 22 -8.295 14.649 -34.934 1.00 1.44 C ATOM 0 H ILE A 22 -4.571 14.260 -36.139 1.00 22.14 H new ATOM 0 HA ILE A 22 -5.822 16.359 -37.733 1.00 32.45 H new ATOM 0 HB ILE A 22 -5.753 15.658 -34.764 1.00 51.40 H new ATOM 0 HG12 ILE A 22 -7.992 15.474 -36.838 1.00 72.35 H new ATOM 0 HG13 ILE A 22 -6.941 14.126 -36.447 1.00 72.35 H new ATOM 0 HG21 ILE A 22 -7.587 17.277 -34.467 1.00 73.53 H new ATOM 0 HG22 ILE A 22 -6.091 18.075 -35.009 1.00 73.53 H new ATOM 0 HG23 ILE A 22 -7.415 17.788 -36.163 1.00 73.53 H new ATOM 0 HD11 ILE A 22 -9.050 13.954 -35.301 1.00 1.44 H new ATOM 0 HD12 ILE A 22 -7.716 14.172 -34.143 1.00 1.44 H new ATOM 0 HD13 ILE A 22 -8.783 15.540 -34.539 1.00 1.44 H new ATOM 318 N LEU A 23 -3.245 16.932 -35.803 1.00 62.04 N ATOM 319 CA LEU A 23 -2.242 17.931 -35.414 1.00 55.24 C ATOM 320 C LEU A 23 -1.194 18.122 -36.511 1.00 25.32 C ATOM 321 O LEU A 23 -0.535 19.145 -36.570 1.00 3.53 O ATOM 322 CB LEU A 23 -1.592 17.489 -34.121 1.00 1.24 C ATOM 323 CG LEU A 23 -2.557 17.367 -32.920 1.00 31.31 C ATOM 324 CD1 LEU A 23 -1.908 16.565 -31.853 1.00 32.03 C ATOM 325 CD2 LEU A 23 -2.936 18.732 -32.381 1.00 13.41 C ATOM 0 H LEU A 23 -3.077 16.004 -35.415 1.00 62.04 H new ATOM 0 HA LEU A 23 -2.732 18.894 -35.269 1.00 55.24 H new ATOM 0 HB2 LEU A 23 -1.112 16.524 -34.283 1.00 1.24 H new ATOM 0 HB3 LEU A 23 -0.804 18.198 -33.866 1.00 1.24 H new ATOM 0 HG LEU A 23 -3.469 16.873 -33.254 1.00 31.31 H new ATOM 0 HD11 LEU A 23 -2.584 16.476 -31.003 1.00 32.03 H new ATOM 0 HD12 LEU A 23 -1.673 15.572 -32.236 1.00 32.03 H new ATOM 0 HD13 LEU A 23 -0.989 17.058 -31.535 1.00 32.03 H new ATOM 0 HD21 LEU A 23 -3.615 18.614 -31.537 1.00 13.41 H new ATOM 0 HD22 LEU A 23 -2.038 19.256 -32.054 1.00 13.41 H new ATOM 0 HD23 LEU A 23 -3.427 19.309 -33.164 1.00 13.41 H new ATOM 337 N GLY A 24 -1.045 17.123 -37.372 1.00 63.13 N ATOM 338 CA GLY A 24 -0.085 17.223 -38.455 1.00 1.42 C ATOM 339 C GLY A 24 1.345 17.062 -37.980 1.00 2.11 C ATOM 340 O GLY A 24 2.280 17.564 -38.605 1.00 63.02 O ATOM 0 H GLY A 24 -1.569 16.249 -37.340 1.00 63.13 H new ATOM 0 HA2 GLY A 24 -0.304 16.460 -39.202 1.00 1.42 H new ATOM 0 HA3 GLY A 24 -0.195 18.190 -38.945 1.00 1.42 H new ATOM 344 N VAL A 25 1.514 16.367 -36.861 1.00 54.40 N ATOM 345 CA VAL A 25 2.835 16.163 -36.270 1.00 1.32 C ATOM 346 C VAL A 25 3.349 14.779 -36.636 1.00 63.42 C ATOM 347 O VAL A 25 2.583 13.857 -36.906 1.00 32.33 O ATOM 348 CB VAL A 25 2.822 16.356 -34.717 1.00 31.40 C ATOM 349 CG1 VAL A 25 2.472 17.814 -34.360 1.00 2.43 C ATOM 350 CG2 VAL A 25 1.832 15.384 -34.050 1.00 62.23 C ATOM 0 H VAL A 25 0.751 15.933 -36.342 1.00 54.40 H new ATOM 0 HA VAL A 25 3.506 16.920 -36.676 1.00 1.32 H new ATOM 0 HB VAL A 25 3.820 16.135 -34.338 1.00 31.40 H new ATOM 0 HG11 VAL A 25 2.467 17.932 -33.276 1.00 2.43 H new ATOM 0 HG12 VAL A 25 3.215 18.483 -34.795 1.00 2.43 H new ATOM 0 HG13 VAL A 25 1.487 18.059 -34.756 1.00 2.43 H new ATOM 0 HG21 VAL A 25 1.842 15.538 -32.971 1.00 62.23 H new ATOM 0 HG22 VAL A 25 0.828 15.567 -34.434 1.00 62.23 H new ATOM 0 HG23 VAL A 25 2.124 14.358 -34.272 1.00 62.23 H new ATOM 360 N GLU A 26 4.664 14.647 -36.700 1.00 24.43 N ATOM 361 CA GLU A 26 5.293 13.408 -37.152 1.00 71.23 C ATOM 362 C GLU A 26 5.067 12.250 -36.179 1.00 13.13 C ATOM 363 O GLU A 26 4.841 11.107 -36.594 1.00 3.33 O ATOM 364 CB GLU A 26 6.796 13.652 -37.345 1.00 53.34 C ATOM 365 CG GLU A 26 7.515 12.498 -38.011 1.00 74.11 C ATOM 366 CD GLU A 26 9.019 12.706 -38.084 1.00 0.01 C ATOM 367 OE1 GLU A 26 9.472 13.530 -38.901 1.00 53.11 O ATOM 368 OE2 GLU A 26 9.746 11.998 -37.354 1.00 61.03 O ATOM 0 H GLU A 26 5.322 15.383 -36.445 1.00 24.43 H new ATOM 0 HA GLU A 26 4.831 13.120 -38.096 1.00 71.23 H new ATOM 0 HB2 GLU A 26 6.936 14.551 -37.945 1.00 53.34 H new ATOM 0 HB3 GLU A 26 7.253 13.842 -36.374 1.00 53.34 H new ATOM 0 HG2 GLU A 26 7.306 11.580 -37.462 1.00 74.11 H new ATOM 0 HG3 GLU A 26 7.122 12.364 -39.019 1.00 74.11 H new ATOM 375 N ARG A 27 5.135 12.530 -34.882 1.00 42.24 N ATOM 376 CA ARG A 27 4.951 11.505 -33.850 1.00 74.30 C ATOM 377 C ARG A 27 4.170 12.046 -32.683 1.00 54.22 C ATOM 378 O ARG A 27 3.989 13.247 -32.546 1.00 40.44 O ATOM 379 CB ARG A 27 6.292 10.996 -33.312 1.00 73.11 C ATOM 380 CG ARG A 27 7.075 10.118 -34.256 1.00 14.03 C ATOM 381 CD ARG A 27 6.299 8.863 -34.688 1.00 10.44 C ATOM 382 NE ARG A 27 7.112 8.007 -35.569 1.00 33.25 N ATOM 383 CZ ARG A 27 7.170 8.097 -36.892 1.00 44.42 C ATOM 384 NH1 ARG A 27 6.481 8.973 -37.572 1.00 44.03 N ATOM 385 NH2 ARG A 27 7.943 7.280 -37.549 1.00 41.24 N ATOM 0 H ARG A 27 5.317 13.464 -34.514 1.00 42.24 H new ATOM 0 HA ARG A 27 4.409 10.688 -34.326 1.00 74.30 H new ATOM 0 HB2 ARG A 27 6.908 11.855 -33.047 1.00 73.11 H new ATOM 0 HB3 ARG A 27 6.108 10.440 -32.393 1.00 73.11 H new ATOM 0 HG2 ARG A 27 7.345 10.695 -35.141 1.00 14.03 H new ATOM 0 HG3 ARG A 27 8.006 9.816 -33.776 1.00 14.03 H new ATOM 0 HD2 ARG A 27 5.997 8.298 -33.806 1.00 10.44 H new ATOM 0 HD3 ARG A 27 5.386 9.158 -35.205 1.00 10.44 H new ATOM 0 HE ARG A 27 7.678 7.284 -35.125 1.00 33.25 H new ATOM 0 HH11 ARG A 27 5.866 9.626 -37.087 1.00 44.03 H new ATOM 0 HH12 ARG A 27 6.558 9.005 -38.589 1.00 44.03 H new ATOM 0 HH21 ARG A 27 8.493 6.583 -37.047 1.00 41.24 H new ATOM 0 HH22 ARG A 27 7.998 7.337 -38.566 1.00 41.24 H new ATOM 399 N VAL A 28 3.731 11.116 -31.842 1.00 72.11 N ATOM 400 CA VAL A 28 2.942 11.420 -30.649 1.00 22.40 C ATOM 401 C VAL A 28 3.329 10.427 -29.549 1.00 44.42 C ATOM 402 O VAL A 28 3.309 9.212 -29.782 1.00 41.35 O ATOM 403 CB VAL A 28 1.398 11.249 -30.936 1.00 12.33 C ATOM 404 CG1 VAL A 28 0.572 11.823 -29.787 1.00 52.43 C ATOM 405 CG2 VAL A 28 0.996 11.923 -32.259 1.00 51.02 C ATOM 0 H VAL A 28 3.913 10.120 -31.968 1.00 72.11 H new ATOM 0 HA VAL A 28 3.140 12.450 -30.351 1.00 22.40 H new ATOM 0 HB VAL A 28 1.195 10.181 -31.022 1.00 12.33 H new ATOM 0 HG11 VAL A 28 -0.489 11.696 -30.003 1.00 52.43 H new ATOM 0 HG12 VAL A 28 0.820 11.299 -28.864 1.00 52.43 H new ATOM 0 HG13 VAL A 28 0.795 12.884 -29.673 1.00 52.43 H new ATOM 0 HG21 VAL A 28 -0.072 11.787 -32.427 1.00 51.02 H new ATOM 0 HG22 VAL A 28 1.223 12.988 -32.208 1.00 51.02 H new ATOM 0 HG23 VAL A 28 1.553 11.472 -33.081 1.00 51.02 H new ATOM 415 N GLY A 29 3.683 10.924 -28.380 1.00 2.34 N ATOM 416 CA GLY A 29 3.986 10.073 -27.229 1.00 41.42 C ATOM 417 C GLY A 29 2.692 9.712 -26.509 1.00 43.42 C ATOM 418 O GLY A 29 1.608 10.152 -26.893 1.00 0.30 O ATOM 0 H GLY A 29 3.771 11.923 -28.194 1.00 2.34 H new ATOM 0 HA2 GLY A 29 4.497 9.168 -27.557 1.00 41.42 H new ATOM 0 HA3 GLY A 29 4.661 10.591 -26.548 1.00 41.42 H new ATOM 422 N VAL A 30 2.777 8.786 -25.571 1.00 4.25 N ATOM 423 CA VAL A 30 1.564 8.360 -24.844 1.00 61.44 C ATOM 424 C VAL A 30 1.128 9.399 -23.837 1.00 15.15 C ATOM 425 O VAL A 30 -0.018 9.552 -23.509 1.00 34.22 O ATOM 426 CB VAL A 30 1.776 6.972 -24.122 1.00 45.31 C ATOM 427 CG1 VAL A 30 1.421 5.809 -25.085 1.00 75.45 C ATOM 428 CG2 VAL A 30 3.212 6.828 -23.632 1.00 35.12 C ATOM 0 H VAL A 30 3.639 8.318 -25.290 1.00 4.25 H new ATOM 0 HA VAL A 30 0.777 8.246 -25.589 1.00 61.44 H new ATOM 0 HB VAL A 30 1.114 6.932 -23.257 1.00 45.31 H new ATOM 0 HG11 VAL A 30 1.571 4.857 -24.576 1.00 75.45 H new ATOM 0 HG12 VAL A 30 0.379 5.896 -25.392 1.00 75.45 H new ATOM 0 HG13 VAL A 30 2.063 5.856 -25.964 1.00 75.45 H new ATOM 0 HG21 VAL A 30 3.333 5.864 -23.138 1.00 35.12 H new ATOM 0 HG22 VAL A 30 3.894 6.889 -24.480 1.00 35.12 H new ATOM 0 HG23 VAL A 30 3.438 7.628 -22.927 1.00 35.12 H new ATOM 438 N ASP A 31 2.091 10.174 -23.443 1.00 63.02 N ATOM 439 CA ASP A 31 1.919 11.233 -22.458 1.00 62.13 C ATOM 440 C ASP A 31 1.964 12.605 -23.123 1.00 53.14 C ATOM 441 O ASP A 31 2.184 13.609 -22.475 1.00 31.35 O ATOM 442 CB ASP A 31 3.001 11.073 -21.394 1.00 75.12 C ATOM 443 CG ASP A 31 2.781 9.859 -20.510 1.00 15.40 C ATOM 444 OD1 ASP A 31 1.650 9.619 -20.024 1.00 64.24 O ATOM 445 OD2 ASP A 31 3.783 9.151 -20.290 1.00 43.44 O ATOM 0 H ASP A 31 3.045 10.098 -23.796 1.00 63.02 H new ATOM 0 HA ASP A 31 0.940 11.156 -21.984 1.00 62.13 H new ATOM 0 HB2 ASP A 31 3.973 10.991 -21.880 1.00 75.12 H new ATOM 0 HB3 ASP A 31 3.029 11.969 -20.773 1.00 75.12 H new ATOM 450 N ASP A 32 1.804 12.625 -24.433 1.00 4.31 N ATOM 451 CA ASP A 32 1.981 13.868 -25.192 1.00 54.02 C ATOM 452 C ASP A 32 0.771 14.790 -25.078 1.00 53.33 C ATOM 453 O ASP A 32 -0.369 14.352 -25.256 1.00 13.53 O ATOM 454 CB ASP A 32 2.199 13.544 -26.663 1.00 73.42 C ATOM 455 CG ASP A 32 3.371 14.283 -27.242 1.00 64.44 C ATOM 456 OD1 ASP A 32 3.656 15.411 -26.799 1.00 61.31 O ATOM 457 OD2 ASP A 32 4.045 13.694 -28.106 1.00 51.11 O ATOM 0 H ASP A 32 1.555 11.811 -24.996 1.00 4.31 H new ATOM 0 HA ASP A 32 2.847 14.380 -24.771 1.00 54.02 H new ATOM 0 HB2 ASP A 32 2.356 12.471 -26.777 1.00 73.42 H new ATOM 0 HB3 ASP A 32 1.300 13.796 -27.225 1.00 73.42 H new ATOM 462 N ALA A 33 0.982 16.052 -24.750 1.00 22.51 N ATOM 463 CA ALA A 33 -0.133 16.980 -24.577 1.00 5.34 C ATOM 464 C ALA A 33 -0.641 17.472 -25.937 1.00 13.34 C ATOM 465 O ALA A 33 0.063 18.111 -26.689 1.00 44.52 O ATOM 466 CB ALA A 33 0.303 18.162 -23.701 1.00 43.03 C ATOM 0 H ALA A 33 1.904 16.460 -24.598 1.00 22.51 H new ATOM 0 HA ALA A 33 -0.951 16.459 -24.080 1.00 5.34 H new ATOM 0 HB1 ALA A 33 -0.533 18.850 -23.576 1.00 43.03 H new ATOM 0 HB2 ALA A 33 0.619 17.794 -22.725 1.00 43.03 H new ATOM 0 HB3 ALA A 33 1.133 18.682 -24.179 1.00 43.03 H new ATOM 472 N PHE A 34 -1.919 17.226 -26.184 1.00 0.30 N ATOM 473 CA PHE A 34 -2.594 17.624 -27.434 1.00 72.11 C ATOM 474 C PHE A 34 -2.383 19.106 -27.752 1.00 14.15 C ATOM 475 O PHE A 34 -2.196 19.476 -28.908 1.00 12.21 O ATOM 476 CB PHE A 34 -4.095 17.324 -27.298 1.00 55.43 C ATOM 477 CG PHE A 34 -4.891 17.591 -28.543 1.00 60.31 C ATOM 478 CD1 PHE A 34 -4.944 16.650 -29.571 1.00 34.12 C ATOM 479 CD2 PHE A 34 -5.639 18.791 -28.669 1.00 22.53 C ATOM 480 CE1 PHE A 34 -5.724 16.882 -30.734 1.00 70.31 C ATOM 481 CE2 PHE A 34 -6.431 19.027 -29.821 1.00 23.51 C ATOM 482 CZ PHE A 34 -6.472 18.063 -30.851 1.00 55.03 C ATOM 0 H PHE A 34 -2.530 16.742 -25.526 1.00 0.30 H new ATOM 0 HA PHE A 34 -2.163 17.055 -28.257 1.00 72.11 H new ATOM 0 HB2 PHE A 34 -4.221 16.278 -27.017 1.00 55.43 H new ATOM 0 HB3 PHE A 34 -4.502 17.924 -26.484 1.00 55.43 H new ATOM 0 HD1 PHE A 34 -4.383 15.731 -29.481 1.00 34.12 H new ATOM 0 HD2 PHE A 34 -5.604 19.529 -27.882 1.00 22.53 H new ATOM 0 HE1 PHE A 34 -5.742 16.150 -31.528 1.00 70.31 H new ATOM 0 HE2 PHE A 34 -7.000 19.940 -29.910 1.00 23.51 H new ATOM 0 HZ PHE A 34 -7.078 18.234 -31.728 1.00 55.03 H new ATOM 492 N HIS A 35 -2.426 19.964 -26.730 1.00 43.25 N ATOM 493 CA HIS A 35 -2.294 21.401 -26.957 1.00 64.25 C ATOM 494 C HIS A 35 -0.833 21.862 -27.101 1.00 71.32 C ATOM 495 O HIS A 35 -0.584 22.928 -27.643 1.00 13.51 O ATOM 496 CB HIS A 35 -2.987 22.189 -25.837 1.00 72.43 C ATOM 497 CG HIS A 35 -2.447 21.899 -24.471 1.00 71.34 C ATOM 498 ND1 HIS A 35 -3.048 21.067 -23.561 1.00 44.00 N ATOM 499 CD2 HIS A 35 -1.334 22.364 -23.840 1.00 20.35 C ATOM 500 CE1 HIS A 35 -2.311 21.063 -22.452 1.00 22.10 C ATOM 501 NE2 HIS A 35 -1.255 21.840 -22.565 1.00 14.00 N ATOM 0 H HIS A 35 -2.549 19.693 -25.754 1.00 43.25 H new ATOM 0 HA HIS A 35 -2.784 21.606 -27.909 1.00 64.25 H new ATOM 0 HB2 HIS A 35 -2.885 23.255 -26.039 1.00 72.43 H new ATOM 0 HB3 HIS A 35 -4.053 21.962 -25.852 1.00 72.43 H new ATOM 0 HD2 HIS A 35 -0.616 23.045 -24.274 1.00 20.35 H new ATOM 0 HE1 HIS A 35 -2.551 20.492 -21.567 1.00 22.10 H new ATOM 0 HE2 HIS A 35 -0.535 22.017 -21.864 1.00 14.00 H new ATOM 509 N ASP A 36 0.120 21.071 -26.615 1.00 11.52 N ATOM 510 CA ASP A 36 1.536 21.442 -26.732 1.00 61.21 C ATOM 511 C ASP A 36 1.955 21.150 -28.167 1.00 74.15 C ATOM 512 O ASP A 36 2.720 21.875 -28.783 1.00 33.51 O ATOM 513 CB ASP A 36 2.399 20.627 -25.766 1.00 2.15 C ATOM 514 CG ASP A 36 3.806 21.173 -25.637 1.00 51.31 C ATOM 515 OD1 ASP A 36 3.946 22.319 -25.163 1.00 35.35 O ATOM 516 OD2 ASP A 36 4.766 20.443 -25.954 1.00 13.43 O ATOM 0 H ASP A 36 -0.053 20.183 -26.143 1.00 11.52 H new ATOM 0 HA ASP A 36 1.671 22.495 -26.483 1.00 61.21 H new ATOM 0 HB2 ASP A 36 1.926 20.616 -24.784 1.00 2.15 H new ATOM 0 HB3 ASP A 36 2.445 19.594 -26.109 1.00 2.15 H new ATOM 521 N LEU A 37 1.322 20.121 -28.724 1.00 20.00 N ATOM 522 CA LEU A 37 1.486 19.742 -30.127 1.00 11.51 C ATOM 523 C LEU A 37 0.708 20.666 -31.084 1.00 35.35 C ATOM 524 O LEU A 37 0.471 20.312 -32.238 1.00 31.14 O ATOM 525 CB LEU A 37 1.009 18.297 -30.304 1.00 53.12 C ATOM 526 CG LEU A 37 1.706 17.196 -29.495 1.00 53.21 C ATOM 527 CD1 LEU A 37 0.892 15.917 -29.577 1.00 74.53 C ATOM 528 CD2 LEU A 37 3.112 16.908 -30.014 1.00 11.41 C ATOM 0 H LEU A 37 0.675 19.521 -28.211 1.00 20.00 H new ATOM 0 HA LEU A 37 2.542 19.838 -30.380 1.00 11.51 H new ATOM 0 HB2 LEU A 37 -0.053 18.266 -30.061 1.00 53.12 H new ATOM 0 HB3 LEU A 37 1.102 18.043 -31.360 1.00 53.12 H new ATOM 0 HG LEU A 37 1.783 17.546 -28.466 1.00 53.21 H new ATOM 0 HD11 LEU A 37 1.386 15.134 -29.002 1.00 74.53 H new ATOM 0 HD12 LEU A 37 -0.104 16.093 -29.169 1.00 74.53 H new ATOM 0 HD13 LEU A 37 0.808 15.605 -30.618 1.00 74.53 H new ATOM 0 HD21 LEU A 37 3.568 16.122 -29.412 1.00 11.41 H new ATOM 0 HD22 LEU A 37 3.057 16.583 -31.053 1.00 11.41 H new ATOM 0 HD23 LEU A 37 3.717 17.813 -29.948 1.00 11.41 H new ATOM 540 N GLY A 38 0.297 21.832 -30.599 1.00 45.42 N ATOM 541 CA GLY A 38 -0.395 22.804 -31.439 1.00 2.14 C ATOM 542 C GLY A 38 -1.901 22.687 -31.463 1.00 74.31 C ATOM 543 O GLY A 38 -2.589 23.402 -32.202 1.00 13.21 O ATOM 0 H GLY A 38 0.430 22.127 -29.632 1.00 45.42 H new ATOM 0 HA2 GLY A 38 -0.131 23.805 -31.099 1.00 2.14 H new ATOM 0 HA3 GLY A 38 -0.024 22.706 -32.459 1.00 2.14 H new ATOM 547 N GLY A 39 -2.434 21.790 -30.652 1.00 2.40 N ATOM 548 CA GLY A 39 -3.870 21.576 -30.604 1.00 71.12 C ATOM 549 C GLY A 39 -4.650 22.724 -29.985 1.00 4.21 C ATOM 550 O GLY A 39 -4.135 23.525 -29.227 1.00 42.45 O ATOM 0 H GLY A 39 -1.895 21.199 -30.019 1.00 2.40 H new ATOM 0 HA2 GLY A 39 -4.235 21.408 -31.617 1.00 71.12 H new ATOM 0 HA3 GLY A 39 -4.072 20.667 -30.037 1.00 71.12 H new ATOM 554 N SER A 40 -5.932 22.770 -30.317 1.00 74.41 N ATOM 555 CA SER A 40 -6.835 23.817 -29.850 1.00 44.35 C ATOM 556 C SER A 40 -8.208 23.227 -29.622 1.00 54.03 C ATOM 557 O SER A 40 -8.486 22.130 -30.080 1.00 53.03 O ATOM 558 CB SER A 40 -6.895 24.936 -30.901 1.00 13.43 C ATOM 559 OG SER A 40 -7.701 26.030 -30.459 1.00 30.02 O ATOM 0 H SER A 40 -6.379 22.080 -30.921 1.00 74.41 H new ATOM 0 HA SER A 40 -6.473 24.235 -28.910 1.00 44.35 H new ATOM 0 HB2 SER A 40 -5.886 25.290 -31.115 1.00 13.43 H new ATOM 0 HB3 SER A 40 -7.298 24.540 -31.833 1.00 13.43 H new ATOM 0 HG SER A 40 -7.717 26.725 -31.150 1.00 30.02 H new ATOM 565 N SER A 41 -9.085 23.967 -28.953 1.00 61.24 N ATOM 566 CA SER A 41 -10.451 23.518 -28.705 1.00 62.10 C ATOM 567 C SER A 41 -11.192 23.224 -30.016 1.00 3.33 C ATOM 568 O SER A 41 -12.031 22.332 -30.084 1.00 2.02 O ATOM 569 CB SER A 41 -11.197 24.577 -27.916 1.00 2.11 C ATOM 570 OG SER A 41 -10.367 25.068 -26.871 1.00 30.45 O ATOM 0 H SER A 41 -8.872 24.888 -28.570 1.00 61.24 H new ATOM 0 HA SER A 41 -10.407 22.592 -28.132 1.00 62.10 H new ATOM 0 HB2 SER A 41 -11.492 25.394 -28.574 1.00 2.11 H new ATOM 0 HB3 SER A 41 -12.113 24.157 -27.500 1.00 2.11 H new ATOM 0 HG SER A 41 -10.850 25.753 -26.364 1.00 30.45 H new ATOM 576 N ALA A 42 -10.829 23.952 -31.067 1.00 51.42 N ATOM 577 CA ALA A 42 -11.419 23.730 -32.393 1.00 31.33 C ATOM 578 C ALA A 42 -11.028 22.344 -32.925 1.00 43.14 C ATOM 579 O ALA A 42 -11.843 21.640 -33.524 1.00 13.21 O ATOM 580 CB ALA A 42 -10.941 24.836 -33.360 1.00 4.43 C ATOM 0 H ALA A 42 -10.134 24.698 -31.033 1.00 51.42 H new ATOM 0 HA ALA A 42 -12.505 23.770 -32.315 1.00 31.33 H new ATOM 0 HB1 ALA A 42 -11.378 24.672 -34.345 1.00 4.43 H new ATOM 0 HB2 ALA A 42 -11.253 25.810 -32.982 1.00 4.43 H new ATOM 0 HB3 ALA A 42 -9.854 24.808 -33.436 1.00 4.43 H new ATOM 586 N LEU A 43 -9.782 21.949 -32.695 1.00 43.32 N ATOM 587 CA LEU A 43 -9.268 20.661 -33.169 1.00 4.20 C ATOM 588 C LEU A 43 -9.739 19.519 -32.281 1.00 62.23 C ATOM 589 O LEU A 43 -9.879 18.387 -32.745 1.00 74.20 O ATOM 590 CB LEU A 43 -7.733 20.681 -33.234 1.00 1.10 C ATOM 591 CG LEU A 43 -7.140 21.584 -34.334 1.00 43.13 C ATOM 592 CD1 LEU A 43 -5.635 21.686 -34.161 1.00 31.12 C ATOM 593 CD2 LEU A 43 -7.482 21.050 -35.738 1.00 63.21 C ATOM 0 H LEU A 43 -9.100 22.505 -32.179 1.00 43.32 H new ATOM 0 HA LEU A 43 -9.661 20.497 -34.172 1.00 4.20 H new ATOM 0 HB2 LEU A 43 -7.348 21.009 -32.269 1.00 1.10 H new ATOM 0 HB3 LEU A 43 -7.377 19.662 -33.390 1.00 1.10 H new ATOM 0 HG LEU A 43 -7.581 22.576 -34.238 1.00 43.13 H new ATOM 0 HD11 LEU A 43 -5.222 22.325 -34.941 1.00 31.12 H new ATOM 0 HD12 LEU A 43 -5.409 22.113 -33.184 1.00 31.12 H new ATOM 0 HD13 LEU A 43 -5.192 20.693 -34.234 1.00 31.12 H new ATOM 0 HD21 LEU A 43 -7.050 21.708 -36.493 1.00 63.21 H new ATOM 0 HD22 LEU A 43 -7.073 20.046 -35.855 1.00 63.21 H new ATOM 0 HD23 LEU A 43 -8.565 21.018 -35.861 1.00 63.21 H new ATOM 605 N ALA A 44 -10.042 19.808 -31.023 1.00 73.43 N ATOM 606 CA ALA A 44 -10.595 18.788 -30.126 1.00 64.41 C ATOM 607 C ALA A 44 -11.916 18.243 -30.687 1.00 31.11 C ATOM 608 O ALA A 44 -12.212 17.071 -30.548 1.00 12.32 O ATOM 609 CB ALA A 44 -10.807 19.371 -28.726 1.00 52.33 C ATOM 0 H ALA A 44 -9.918 20.727 -30.599 1.00 73.43 H new ATOM 0 HA ALA A 44 -9.885 17.964 -30.054 1.00 64.41 H new ATOM 0 HB1 ALA A 44 -11.218 18.603 -28.070 1.00 52.33 H new ATOM 0 HB2 ALA A 44 -9.853 19.716 -28.327 1.00 52.33 H new ATOM 0 HB3 ALA A 44 -11.501 20.209 -28.782 1.00 52.33 H new ATOM 615 N MET A 45 -12.659 19.075 -31.378 1.00 33.11 N ATOM 616 CA MET A 45 -13.920 18.646 -32.003 1.00 23.24 C ATOM 617 C MET A 45 -13.666 17.625 -33.121 1.00 73.55 C ATOM 618 O MET A 45 -14.475 16.722 -33.350 1.00 5.24 O ATOM 619 CB MET A 45 -14.653 19.851 -32.607 1.00 65.31 C ATOM 620 CG MET A 45 -14.952 20.952 -31.591 1.00 74.45 C ATOM 621 SD MET A 45 -16.043 20.440 -30.245 1.00 52.21 S ATOM 622 CE MET A 45 -16.236 21.985 -29.361 1.00 44.52 C ATOM 0 H MET A 45 -12.425 20.056 -31.530 1.00 33.11 H new ATOM 0 HA MET A 45 -14.528 18.186 -31.224 1.00 23.24 H new ATOM 0 HB2 MET A 45 -14.050 20.266 -33.414 1.00 65.31 H new ATOM 0 HB3 MET A 45 -15.589 19.512 -33.050 1.00 65.31 H new ATOM 0 HG2 MET A 45 -14.012 21.305 -31.167 1.00 74.45 H new ATOM 0 HG3 MET A 45 -15.405 21.797 -32.110 1.00 74.45 H new ATOM 0 HE1 MET A 45 -16.886 21.832 -28.499 1.00 44.52 H new ATOM 0 HE2 MET A 45 -15.261 22.335 -29.023 1.00 44.52 H new ATOM 0 HE3 MET A 45 -16.679 22.730 -30.022 1.00 44.52 H new ATOM 632 N ARG A 46 -12.531 17.746 -33.804 1.00 61.32 N ATOM 633 CA ARG A 46 -12.182 16.830 -34.896 1.00 21.31 C ATOM 634 C ARG A 46 -11.811 15.484 -34.296 1.00 65.13 C ATOM 635 O ARG A 46 -12.146 14.451 -34.842 1.00 71.44 O ATOM 636 CB ARG A 46 -10.986 17.361 -35.699 1.00 31.03 C ATOM 637 CG ARG A 46 -11.153 18.732 -36.302 1.00 74.44 C ATOM 638 CD ARG A 46 -12.362 18.743 -37.269 1.00 14.35 C ATOM 639 NE ARG A 46 -12.352 19.973 -38.079 1.00 41.45 N ATOM 640 CZ ARG A 46 -13.222 20.260 -39.035 1.00 62.12 C ATOM 641 NH1 ARG A 46 -14.216 19.444 -39.347 1.00 51.34 N ATOM 642 NH2 ARG A 46 -13.096 21.370 -39.691 1.00 34.21 N ATOM 0 H ARG A 46 -11.834 18.469 -33.624 1.00 61.32 H new ATOM 0 HA ARG A 46 -13.037 16.738 -35.566 1.00 21.31 H new ATOM 0 HB2 ARG A 46 -10.113 17.377 -35.046 1.00 31.03 H new ATOM 0 HB3 ARG A 46 -10.771 16.656 -36.502 1.00 31.03 H new ATOM 0 HG2 ARG A 46 -11.301 19.469 -35.513 1.00 74.44 H new ATOM 0 HG3 ARG A 46 -10.247 19.016 -36.837 1.00 74.44 H new ATOM 0 HD2 ARG A 46 -12.325 17.870 -37.920 1.00 14.35 H new ATOM 0 HD3 ARG A 46 -13.291 18.679 -36.703 1.00 14.35 H new ATOM 0 HE ARG A 46 -11.619 20.656 -37.889 1.00 41.45 H new ATOM 0 HH11 ARG A 46 -14.329 18.563 -38.845 1.00 51.34 H new ATOM 0 HH12 ARG A 46 -14.869 19.696 -40.089 1.00 51.34 H new ATOM 0 HH21 ARG A 46 -12.334 22.010 -39.469 1.00 34.21 H new ATOM 0 HH22 ARG A 46 -13.759 21.604 -40.430 1.00 34.21 H new ATOM 656 N LEU A 47 -11.146 15.547 -33.160 1.00 51.25 N ATOM 657 CA LEU A 47 -10.681 14.343 -32.467 1.00 41.12 C ATOM 658 C LEU A 47 -11.903 13.581 -31.970 1.00 51.24 C ATOM 659 O LEU A 47 -11.985 12.366 -32.128 1.00 41.04 O ATOM 660 CB LEU A 47 -9.766 14.737 -31.350 1.00 73.11 C ATOM 661 CG LEU A 47 -9.115 13.631 -30.532 1.00 74.32 C ATOM 662 CD1 LEU A 47 -8.401 12.577 -31.397 1.00 72.23 C ATOM 663 CD2 LEU A 47 -8.111 14.252 -29.542 1.00 13.41 C ATOM 0 H LEU A 47 -10.910 16.420 -32.688 1.00 51.25 H new ATOM 0 HA LEU A 47 -10.116 13.692 -33.134 1.00 41.12 H new ATOM 0 HB2 LEU A 47 -8.971 15.352 -31.772 1.00 73.11 H new ATOM 0 HB3 LEU A 47 -10.330 15.370 -30.665 1.00 73.11 H new ATOM 0 HG LEU A 47 -9.914 13.114 -30.001 1.00 74.32 H new ATOM 0 HD11 LEU A 47 -7.958 11.817 -30.753 1.00 72.23 H new ATOM 0 HD12 LEU A 47 -9.121 12.109 -32.069 1.00 72.23 H new ATOM 0 HD13 LEU A 47 -7.617 13.057 -31.983 1.00 72.23 H new ATOM 0 HD21 LEU A 47 -7.643 13.462 -28.955 1.00 13.41 H new ATOM 0 HD22 LEU A 47 -7.345 14.796 -30.094 1.00 13.41 H new ATOM 0 HD23 LEU A 47 -8.634 14.938 -28.876 1.00 13.41 H new ATOM 675 N ILE A 48 -12.845 14.302 -31.398 1.00 75.45 N ATOM 676 CA ILE A 48 -14.092 13.694 -30.911 1.00 55.21 C ATOM 677 C ILE A 48 -14.819 13.024 -32.082 1.00 44.11 C ATOM 678 O ILE A 48 -15.407 11.960 -31.922 1.00 43.10 O ATOM 679 CB ILE A 48 -14.987 14.750 -30.227 1.00 20.20 C ATOM 680 CG1 ILE A 48 -14.324 15.221 -28.910 1.00 11.05 C ATOM 681 CG2 ILE A 48 -16.395 14.180 -29.918 1.00 71.41 C ATOM 682 CD1 ILE A 48 -14.861 16.539 -28.383 1.00 35.10 C ATOM 0 H ILE A 48 -12.783 15.310 -31.253 1.00 75.45 H new ATOM 0 HA ILE A 48 -13.856 12.937 -30.163 1.00 55.21 H new ATOM 0 HB ILE A 48 -15.099 15.591 -30.911 1.00 20.20 H new ATOM 0 HG12 ILE A 48 -14.466 14.453 -28.150 1.00 11.05 H new ATOM 0 HG13 ILE A 48 -13.250 15.317 -29.070 1.00 11.05 H new ATOM 0 HG21 ILE A 48 -17.001 14.948 -29.437 1.00 71.41 H new ATOM 0 HG22 ILE A 48 -16.874 13.869 -30.847 1.00 71.41 H new ATOM 0 HG23 ILE A 48 -16.302 13.321 -29.253 1.00 71.41 H new ATOM 0 HD11 ILE A 48 -14.345 16.798 -27.459 1.00 35.10 H new ATOM 0 HD12 ILE A 48 -14.695 17.322 -29.123 1.00 35.10 H new ATOM 0 HD13 ILE A 48 -15.929 16.445 -28.188 1.00 35.10 H new ATOM 694 N ALA A 49 -14.789 13.641 -33.255 1.00 31.24 N ATOM 695 CA ALA A 49 -15.442 13.047 -34.432 1.00 22.13 C ATOM 696 C ALA A 49 -14.753 11.742 -34.860 1.00 24.43 C ATOM 697 O ALA A 49 -15.408 10.768 -35.107 1.00 22.41 O ATOM 698 CB ALA A 49 -15.473 14.055 -35.586 1.00 74.44 C ATOM 0 H ALA A 49 -14.331 14.536 -33.425 1.00 31.24 H new ATOM 0 HA ALA A 49 -16.468 12.798 -34.160 1.00 22.13 H new ATOM 0 HB1 ALA A 49 -15.959 13.603 -36.451 1.00 74.44 H new ATOM 0 HB2 ALA A 49 -16.028 14.942 -35.280 1.00 74.44 H new ATOM 0 HB3 ALA A 49 -14.454 14.338 -35.849 1.00 74.44 H new ATOM 704 N ARG A 50 -13.434 11.742 -34.915 1.00 11.51 N ATOM 705 CA ARG A 50 -12.672 10.581 -35.362 1.00 25.51 C ATOM 706 C ARG A 50 -12.780 9.424 -34.379 1.00 1.43 C ATOM 707 O ARG A 50 -12.818 8.274 -34.770 1.00 43.41 O ATOM 708 CB ARG A 50 -11.174 10.903 -35.500 1.00 64.32 C ATOM 709 CG ARG A 50 -10.824 11.689 -36.769 1.00 53.24 C ATOM 710 CD ARG A 50 -10.942 10.853 -38.056 1.00 41.52 C ATOM 711 NE ARG A 50 -9.826 9.897 -38.208 1.00 13.25 N ATOM 712 CZ ARG A 50 -9.936 8.570 -38.188 1.00 72.22 C ATOM 713 NH1 ARG A 50 -11.062 7.945 -37.980 1.00 70.01 N ATOM 714 NH2 ARG A 50 -8.868 7.847 -38.376 1.00 24.34 N ATOM 0 H ARG A 50 -12.858 12.542 -34.653 1.00 11.51 H new ATOM 0 HA ARG A 50 -13.098 10.307 -36.327 1.00 25.51 H new ATOM 0 HB2 ARG A 50 -10.853 11.475 -34.629 1.00 64.32 H new ATOM 0 HB3 ARG A 50 -10.610 9.971 -35.494 1.00 64.32 H new ATOM 0 HG2 ARG A 50 -11.482 12.555 -36.845 1.00 53.24 H new ATOM 0 HG3 ARG A 50 -9.806 12.069 -36.683 1.00 53.24 H new ATOM 0 HD2 ARG A 50 -11.886 10.308 -38.047 1.00 41.52 H new ATOM 0 HD3 ARG A 50 -10.967 11.519 -38.918 1.00 41.52 H new ATOM 0 HE ARG A 50 -8.892 10.286 -38.339 1.00 13.25 H new ATOM 0 HH11 ARG A 50 -11.918 8.476 -37.822 1.00 70.01 H new ATOM 0 HH12 ARG A 50 -11.086 6.925 -37.976 1.00 70.01 H new ATOM 0 HH21 ARG A 50 -7.968 8.299 -38.535 1.00 24.34 H new ATOM 0 HH22 ARG A 50 -8.933 6.829 -38.364 1.00 24.34 H new ATOM 728 N ILE A 51 -12.880 9.747 -33.093 1.00 34.41 N ATOM 729 CA ILE A 51 -13.048 8.738 -32.038 1.00 21.42 C ATOM 730 C ILE A 51 -14.269 7.861 -32.340 1.00 71.13 C ATOM 731 O ILE A 51 -14.267 6.666 -32.094 1.00 63.31 O ATOM 732 CB ILE A 51 -13.204 9.420 -30.642 1.00 51.10 C ATOM 733 CG1 ILE A 51 -11.799 9.801 -30.091 1.00 53.22 C ATOM 734 CG2 ILE A 51 -13.935 8.492 -29.651 1.00 64.34 C ATOM 735 CD1 ILE A 51 -11.844 10.743 -28.860 1.00 63.44 C ATOM 0 H ILE A 51 -12.848 10.707 -32.749 1.00 34.41 H new ATOM 0 HA ILE A 51 -12.157 8.110 -32.014 1.00 21.42 H new ATOM 0 HB ILE A 51 -13.805 10.322 -30.759 1.00 51.10 H new ATOM 0 HG12 ILE A 51 -11.266 8.890 -29.820 1.00 53.22 H new ATOM 0 HG13 ILE A 51 -11.226 10.282 -30.884 1.00 53.22 H new ATOM 0 HG21 ILE A 51 -14.030 8.992 -28.687 1.00 64.34 H new ATOM 0 HG22 ILE A 51 -14.927 8.256 -30.037 1.00 64.34 H new ATOM 0 HG23 ILE A 51 -13.366 7.571 -29.528 1.00 64.34 H new ATOM 0 HD11 ILE A 51 -10.828 10.964 -28.533 1.00 63.44 H new ATOM 0 HD12 ILE A 51 -12.348 11.671 -29.130 1.00 63.44 H new ATOM 0 HD13 ILE A 51 -12.388 10.257 -28.050 1.00 63.44 H new ATOM 747 N ARG A 52 -15.319 8.461 -32.892 1.00 62.23 N ATOM 748 CA ARG A 52 -16.547 7.712 -33.176 1.00 64.43 C ATOM 749 C ARG A 52 -16.330 6.633 -34.218 1.00 11.13 C ATOM 750 O ARG A 52 -16.986 5.617 -34.213 1.00 22.34 O ATOM 751 CB ARG A 52 -17.629 8.633 -33.677 1.00 4.32 C ATOM 752 CG ARG A 52 -18.003 9.715 -32.708 1.00 53.24 C ATOM 753 CD ARG A 52 -18.781 10.757 -33.443 1.00 52.14 C ATOM 754 NE ARG A 52 -19.056 11.925 -32.593 1.00 20.05 N ATOM 755 CZ ARG A 52 -20.120 12.067 -31.810 1.00 1.30 C ATOM 756 NH1 ARG A 52 -21.047 11.151 -31.709 1.00 41.12 N ATOM 757 NH2 ARG A 52 -20.242 13.162 -31.106 1.00 13.21 N ATOM 0 H ARG A 52 -15.350 9.447 -33.150 1.00 62.23 H new ATOM 0 HA ARG A 52 -16.845 7.246 -32.237 1.00 64.43 H new ATOM 0 HB2 ARG A 52 -17.299 9.092 -34.609 1.00 4.32 H new ATOM 0 HB3 ARG A 52 -18.516 8.043 -33.908 1.00 4.32 H new ATOM 0 HG2 ARG A 52 -18.596 9.304 -31.891 1.00 53.24 H new ATOM 0 HG3 ARG A 52 -17.109 10.152 -32.264 1.00 53.24 H new ATOM 0 HD2 ARG A 52 -18.225 11.072 -34.326 1.00 52.14 H new ATOM 0 HD3 ARG A 52 -19.721 10.331 -33.793 1.00 52.14 H new ATOM 0 HE ARG A 52 -18.377 12.686 -32.605 1.00 20.05 H new ATOM 0 HH11 ARG A 52 -20.970 10.286 -32.244 1.00 41.12 H new ATOM 0 HH12 ARG A 52 -21.848 11.301 -31.095 1.00 41.12 H new ATOM 0 HH21 ARG A 52 -19.528 13.888 -31.164 1.00 13.21 H new ATOM 0 HH22 ARG A 52 -21.051 13.290 -30.499 1.00 13.21 H new ATOM 771 N GLU A 53 -15.405 6.862 -35.129 1.00 72.31 N ATOM 772 CA GLU A 53 -15.167 5.932 -36.237 1.00 25.12 C ATOM 773 C GLU A 53 -14.281 4.822 -35.719 1.00 55.11 C ATOM 774 O GLU A 53 -14.431 3.659 -36.081 1.00 31.13 O ATOM 775 CB GLU A 53 -14.449 6.619 -37.389 1.00 4.03 C ATOM 776 CG GLU A 53 -15.065 7.977 -37.789 1.00 73.31 C ATOM 777 CD GLU A 53 -16.507 7.864 -38.232 1.00 22.32 C ATOM 778 OE1 GLU A 53 -16.798 7.069 -39.157 1.00 63.32 O ATOM 779 OE2 GLU A 53 -17.347 8.613 -37.681 1.00 22.11 O ATOM 0 H GLU A 53 -14.800 7.683 -35.132 1.00 72.31 H new ATOM 0 HA GLU A 53 -16.123 5.557 -36.601 1.00 25.12 H new ATOM 0 HB2 GLU A 53 -13.405 6.771 -37.115 1.00 4.03 H new ATOM 0 HB3 GLU A 53 -14.458 5.958 -38.256 1.00 4.03 H new ATOM 0 HG2 GLU A 53 -15.003 8.661 -36.943 1.00 73.31 H new ATOM 0 HG3 GLU A 53 -14.476 8.414 -38.596 1.00 73.31 H new ATOM 786 N GLU A 54 -13.317 5.201 -34.869 1.00 5.11 N ATOM 787 CA GLU A 54 -12.297 4.247 -34.413 1.00 2.20 C ATOM 788 C GLU A 54 -12.706 3.413 -33.191 1.00 44.53 C ATOM 789 O GLU A 54 -12.298 2.247 -33.045 1.00 52.11 O ATOM 790 CB GLU A 54 -11.040 5.003 -34.005 1.00 41.45 C ATOM 791 CG GLU A 54 -10.352 5.760 -35.137 1.00 14.20 C ATOM 792 CD GLU A 54 -9.885 4.841 -36.278 1.00 20.11 C ATOM 793 OE1 GLU A 54 -9.238 3.806 -36.015 1.00 61.03 O ATOM 794 OE2 GLU A 54 -10.066 5.248 -37.454 1.00 41.44 O ATOM 0 H GLU A 54 -13.222 6.143 -34.489 1.00 5.11 H new ATOM 0 HA GLU A 54 -12.146 3.573 -35.256 1.00 2.20 H new ATOM 0 HB2 GLU A 54 -11.299 5.711 -33.218 1.00 41.45 H new ATOM 0 HB3 GLU A 54 -10.330 4.295 -33.576 1.00 41.45 H new ATOM 0 HG2 GLU A 54 -11.038 6.507 -35.537 1.00 14.20 H new ATOM 0 HG3 GLU A 54 -9.493 6.299 -34.737 1.00 14.20 H new ATOM 801 N LEU A 55 -13.437 4.026 -32.257 1.00 2.34 N ATOM 802 CA LEU A 55 -13.762 3.387 -30.981 1.00 13.33 C ATOM 803 C LEU A 55 -15.272 3.135 -30.893 1.00 31.32 C ATOM 804 O LEU A 55 -15.743 2.495 -29.961 1.00 51.54 O ATOM 805 CB LEU A 55 -13.311 4.261 -29.829 1.00 53.12 C ATOM 806 CG LEU A 55 -11.843 4.775 -29.819 1.00 31.32 C ATOM 807 CD1 LEU A 55 -11.608 5.520 -28.478 1.00 72.50 C ATOM 808 CD2 LEU A 55 -10.784 3.697 -29.970 1.00 33.21 C ATOM 0 H LEU A 55 -13.816 4.967 -32.362 1.00 2.34 H new ATOM 0 HA LEU A 55 -13.239 2.432 -30.920 1.00 13.33 H new ATOM 0 HB2 LEU A 55 -13.967 5.131 -29.796 1.00 53.12 H new ATOM 0 HB3 LEU A 55 -13.474 3.704 -28.906 1.00 53.12 H new ATOM 0 HG LEU A 55 -11.734 5.419 -30.691 1.00 31.32 H new ATOM 0 HD11 LEU A 55 -10.584 5.892 -28.443 1.00 72.50 H new ATOM 0 HD12 LEU A 55 -12.301 6.357 -28.401 1.00 72.50 H new ATOM 0 HD13 LEU A 55 -11.773 4.834 -27.647 1.00 72.50 H new ATOM 0 HD21 LEU A 55 -9.795 4.154 -29.951 1.00 33.21 H new ATOM 0 HD22 LEU A 55 -10.870 2.985 -29.150 1.00 33.21 H new ATOM 0 HD23 LEU A 55 -10.926 3.178 -30.918 1.00 33.21 H new ATOM 820 N GLY A 56 -16.016 3.644 -31.876 1.00 2.22 N ATOM 821 CA GLY A 56 -17.461 3.434 -31.917 1.00 31.32 C ATOM 822 C GLY A 56 -18.274 4.161 -30.858 1.00 24.05 C ATOM 823 O GLY A 56 -19.389 3.745 -30.550 1.00 12.22 O ATOM 0 H GLY A 56 -15.645 4.199 -32.647 1.00 2.22 H new ATOM 0 HA2 GLY A 56 -17.824 3.740 -32.898 1.00 31.32 H new ATOM 0 HA3 GLY A 56 -17.655 2.365 -31.824 1.00 31.32 H new ATOM 827 N VAL A 57 -17.725 5.224 -30.279 1.00 12.23 N ATOM 828 CA VAL A 57 -18.394 5.930 -29.178 1.00 3.21 C ATOM 829 C VAL A 57 -18.234 7.426 -29.294 1.00 63.14 C ATOM 830 O VAL A 57 -17.356 7.919 -29.993 1.00 5.43 O ATOM 831 CB VAL A 57 -17.818 5.515 -27.771 1.00 25.52 C ATOM 832 CG1 VAL A 57 -18.013 4.019 -27.511 1.00 74.11 C ATOM 833 CG2 VAL A 57 -16.318 5.872 -27.648 1.00 40.42 C ATOM 0 H VAL A 57 -16.824 5.618 -30.548 1.00 12.23 H new ATOM 0 HA VAL A 57 -19.445 5.649 -29.253 1.00 3.21 H new ATOM 0 HB VAL A 57 -18.374 6.078 -27.021 1.00 25.52 H new ATOM 0 HG11 VAL A 57 -17.606 3.764 -26.533 1.00 74.11 H new ATOM 0 HG12 VAL A 57 -19.076 3.781 -27.534 1.00 74.11 H new ATOM 0 HG13 VAL A 57 -17.496 3.446 -28.280 1.00 74.11 H new ATOM 0 HG21 VAL A 57 -15.952 5.573 -26.666 1.00 40.42 H new ATOM 0 HG22 VAL A 57 -15.755 5.348 -28.420 1.00 40.42 H new ATOM 0 HG23 VAL A 57 -16.189 6.947 -27.771 1.00 40.42 H new ATOM 843 N ASP A 58 -19.059 8.156 -28.570 1.00 1.04 N ATOM 844 CA ASP A 58 -18.904 9.597 -28.472 1.00 45.14 C ATOM 845 C ASP A 58 -17.923 9.883 -27.335 1.00 42.41 C ATOM 846 O ASP A 58 -17.954 9.224 -26.296 1.00 50.21 O ATOM 847 CB ASP A 58 -20.240 10.278 -28.169 1.00 61.20 C ATOM 848 CG ASP A 58 -20.749 9.975 -26.753 1.00 35.22 C ATOM 849 OD1 ASP A 58 -20.974 8.786 -26.436 1.00 72.35 O ATOM 850 OD2 ASP A 58 -20.893 10.925 -25.960 1.00 51.11 O ATOM 0 H ASP A 58 -19.844 7.777 -28.040 1.00 1.04 H new ATOM 0 HA ASP A 58 -18.537 9.988 -29.421 1.00 45.14 H new ATOM 0 HB2 ASP A 58 -20.130 11.356 -28.289 1.00 61.20 H new ATOM 0 HB3 ASP A 58 -20.983 9.951 -28.896 1.00 61.20 H new ATOM 855 N LEU A 59 -17.069 10.876 -27.509 1.00 65.44 N ATOM 856 CA LEU A 59 -16.184 11.295 -26.427 1.00 75.24 C ATOM 857 C LEU A 59 -16.680 12.618 -25.815 1.00 74.15 C ATOM 858 O LEU A 59 -16.734 13.649 -26.499 1.00 44.35 O ATOM 859 CB LEU A 59 -14.747 11.473 -26.911 1.00 41.23 C ATOM 860 CG LEU A 59 -13.818 11.742 -25.714 1.00 30.14 C ATOM 861 CD1 LEU A 59 -13.167 10.467 -25.216 1.00 3.20 C ATOM 862 CD2 LEU A 59 -12.790 12.790 -26.007 1.00 25.50 C ATOM 0 H LEU A 59 -16.967 11.404 -28.376 1.00 65.44 H new ATOM 0 HA LEU A 59 -16.198 10.509 -25.672 1.00 75.24 H new ATOM 0 HB2 LEU A 59 -14.420 10.579 -27.442 1.00 41.23 H new ATOM 0 HB3 LEU A 59 -14.692 12.301 -27.618 1.00 41.23 H new ATOM 0 HG LEU A 59 -14.451 12.132 -24.917 1.00 30.14 H new ATOM 0 HD11 LEU A 59 -12.518 10.696 -24.371 1.00 3.20 H new ATOM 0 HD12 LEU A 59 -13.938 9.764 -24.902 1.00 3.20 H new ATOM 0 HD13 LEU A 59 -12.576 10.023 -26.017 1.00 3.20 H new ATOM 0 HD21 LEU A 59 -12.162 12.940 -25.129 1.00 25.50 H new ATOM 0 HD22 LEU A 59 -12.171 12.469 -26.845 1.00 25.50 H new ATOM 0 HD23 LEU A 59 -13.287 13.726 -26.261 1.00 25.50 H new ATOM 874 N PRO A 60 -16.992 12.622 -24.510 1.00 43.01 N ATOM 875 CA PRO A 60 -17.260 13.897 -23.836 1.00 32.21 C ATOM 876 C PRO A 60 -16.047 14.824 -23.941 1.00 11.51 C ATOM 877 O PRO A 60 -14.918 14.403 -23.713 1.00 1.11 O ATOM 878 CB PRO A 60 -17.456 13.480 -22.365 1.00 61.42 C ATOM 879 CG PRO A 60 -17.808 12.040 -22.410 1.00 60.41 C ATOM 880 CD PRO A 60 -17.035 11.487 -23.576 1.00 53.43 C ATOM 0 HA PRO A 60 -18.109 14.431 -24.263 1.00 32.21 H new ATOM 0 HB2 PRO A 60 -16.548 13.645 -21.785 1.00 61.42 H new ATOM 0 HB3 PRO A 60 -18.246 14.064 -21.893 1.00 61.42 H new ATOM 0 HG2 PRO A 60 -17.535 11.538 -21.482 1.00 60.41 H new ATOM 0 HG3 PRO A 60 -18.880 11.900 -22.545 1.00 60.41 H new ATOM 0 HD2 PRO A 60 -16.035 11.167 -23.283 1.00 53.43 H new ATOM 0 HD3 PRO A 60 -17.531 10.621 -24.015 1.00 53.43 H new ATOM 888 N ILE A 61 -16.258 16.097 -24.236 1.00 35.41 N ATOM 889 CA ILE A 61 -15.122 17.018 -24.326 1.00 25.24 C ATOM 890 C ILE A 61 -14.452 17.193 -22.951 1.00 42.55 C ATOM 891 O ILE A 61 -13.271 17.504 -22.855 1.00 23.12 O ATOM 892 CB ILE A 61 -15.517 18.380 -24.955 1.00 43.12 C ATOM 893 CG1 ILE A 61 -14.255 19.088 -25.482 1.00 2.22 C ATOM 894 CG2 ILE A 61 -16.306 19.274 -23.946 1.00 21.21 C ATOM 895 CD1 ILE A 61 -14.525 20.250 -26.454 1.00 31.21 C ATOM 0 H ILE A 61 -17.173 16.512 -24.413 1.00 35.41 H new ATOM 0 HA ILE A 61 -14.391 16.572 -25.001 1.00 25.24 H new ATOM 0 HB ILE A 61 -16.189 18.198 -25.793 1.00 43.12 H new ATOM 0 HG12 ILE A 61 -13.687 19.468 -24.633 1.00 2.22 H new ATOM 0 HG13 ILE A 61 -13.625 18.353 -25.983 1.00 2.22 H new ATOM 0 HG21 ILE A 61 -16.565 20.219 -24.423 1.00 21.21 H new ATOM 0 HG22 ILE A 61 -17.217 18.760 -23.640 1.00 21.21 H new ATOM 0 HG23 ILE A 61 -15.687 19.467 -23.070 1.00 21.21 H new ATOM 0 HD11 ILE A 61 -13.578 20.687 -26.771 1.00 31.21 H new ATOM 0 HD12 ILE A 61 -15.063 19.878 -27.326 1.00 31.21 H new ATOM 0 HD13 ILE A 61 -15.126 21.010 -25.954 1.00 31.21 H new ATOM 907 N ARG A 62 -15.191 16.911 -21.881 1.00 52.13 N ATOM 908 CA ARG A 62 -14.632 16.969 -20.530 1.00 10.42 C ATOM 909 C ARG A 62 -13.509 15.955 -20.373 1.00 44.44 C ATOM 910 O ARG A 62 -12.558 16.209 -19.653 1.00 70.11 O ATOM 911 CB ARG A 62 -15.709 16.702 -19.460 1.00 72.34 C ATOM 912 CG ARG A 62 -15.203 16.934 -18.024 1.00 23.25 C ATOM 913 CD ARG A 62 -16.213 16.500 -16.971 1.00 35.40 C ATOM 914 NE ARG A 62 -15.604 16.543 -15.628 1.00 41.02 N ATOM 915 CZ ARG A 62 -15.822 17.468 -14.699 1.00 14.03 C ATOM 916 NH1 ARG A 62 -16.658 18.465 -14.879 1.00 34.22 N ATOM 917 NH2 ARG A 62 -15.191 17.380 -13.554 1.00 74.15 N ATOM 0 H ARG A 62 -16.174 16.641 -21.921 1.00 52.13 H new ATOM 0 HA ARG A 62 -14.240 17.976 -20.386 1.00 10.42 H new ATOM 0 HB2 ARG A 62 -16.566 17.349 -19.646 1.00 72.34 H new ATOM 0 HB3 ARG A 62 -16.059 15.674 -19.554 1.00 72.34 H new ATOM 0 HG2 ARG A 62 -14.272 16.386 -17.877 1.00 23.25 H new ATOM 0 HG3 ARG A 62 -14.975 17.991 -17.889 1.00 23.25 H new ATOM 0 HD2 ARG A 62 -17.085 17.153 -17.003 1.00 35.40 H new ATOM 0 HD3 ARG A 62 -16.562 15.490 -17.187 1.00 35.40 H new ATOM 0 HE ARG A 62 -14.955 15.793 -15.390 1.00 41.02 H new ATOM 0 HH11 ARG A 62 -17.169 18.550 -15.758 1.00 34.22 H new ATOM 0 HH12 ARG A 62 -16.797 19.154 -14.140 1.00 34.22 H new ATOM 0 HH21 ARG A 62 -14.544 16.610 -13.386 1.00 74.15 H new ATOM 0 HH22 ARG A 62 -15.347 18.082 -12.830 1.00 74.15 H new ATOM 931 N GLN A 63 -13.615 14.828 -21.071 1.00 14.12 N ATOM 932 CA GLN A 63 -12.597 13.797 -20.986 1.00 65.23 C ATOM 933 C GLN A 63 -11.260 14.335 -21.481 1.00 34.21 C ATOM 934 O GLN A 63 -10.245 14.145 -20.834 1.00 53.23 O ATOM 935 CB GLN A 63 -12.998 12.560 -21.767 1.00 44.11 C ATOM 936 CG GLN A 63 -13.040 11.300 -20.906 1.00 61.33 C ATOM 937 CD GLN A 63 -14.438 10.954 -20.406 1.00 22.23 C ATOM 938 OE1 GLN A 63 -15.187 10.241 -21.066 1.00 10.32 O ATOM 939 NE2 GLN A 63 -14.796 11.435 -19.237 1.00 44.15 N ATOM 0 H GLN A 63 -14.391 14.610 -21.696 1.00 14.12 H new ATOM 0 HA GLN A 63 -12.494 13.508 -19.940 1.00 65.23 H new ATOM 0 HB2 GLN A 63 -13.979 12.721 -22.214 1.00 44.11 H new ATOM 0 HB3 GLN A 63 -12.295 12.410 -22.587 1.00 44.11 H new ATOM 0 HG2 GLN A 63 -12.651 10.461 -21.483 1.00 61.33 H new ATOM 0 HG3 GLN A 63 -12.378 11.432 -20.050 1.00 61.33 H new ATOM 0 HE21 GLN A 63 -14.153 12.025 -18.710 1.00 44.15 H new ATOM 0 HE22 GLN A 63 -15.717 11.218 -18.857 1.00 44.15 H new ATOM 948 N LEU A 64 -11.277 15.038 -22.607 1.00 70.43 N ATOM 949 CA LEU A 64 -10.057 15.630 -23.154 1.00 62.42 C ATOM 950 C LEU A 64 -9.517 16.738 -22.270 1.00 72.10 C ATOM 951 O LEU A 64 -8.328 16.834 -22.060 1.00 61.45 O ATOM 952 CB LEU A 64 -10.318 16.204 -24.556 1.00 73.40 C ATOM 953 CG LEU A 64 -10.074 15.219 -25.707 1.00 23.54 C ATOM 954 CD1 LEU A 64 -10.661 15.759 -27.001 1.00 43.42 C ATOM 955 CD2 LEU A 64 -8.582 14.941 -25.893 1.00 45.24 C ATOM 0 H LEU A 64 -12.117 15.213 -23.159 1.00 70.43 H new ATOM 0 HA LEU A 64 -9.317 14.832 -23.205 1.00 62.42 H new ATOM 0 HB2 LEU A 64 -11.350 16.551 -24.605 1.00 73.40 H new ATOM 0 HB3 LEU A 64 -9.681 17.076 -24.701 1.00 73.40 H new ATOM 0 HG LEU A 64 -10.569 14.282 -25.451 1.00 23.54 H new ATOM 0 HD11 LEU A 64 -10.479 15.048 -27.807 1.00 43.42 H new ATOM 0 HD12 LEU A 64 -11.735 15.905 -26.881 1.00 43.42 H new ATOM 0 HD13 LEU A 64 -10.191 16.712 -27.244 1.00 43.42 H new ATOM 0 HD21 LEU A 64 -8.442 14.240 -26.716 1.00 45.24 H new ATOM 0 HD22 LEU A 64 -8.064 15.873 -26.119 1.00 45.24 H new ATOM 0 HD23 LEU A 64 -8.175 14.512 -24.977 1.00 45.24 H new ATOM 967 N PHE A 65 -10.396 17.573 -21.746 1.00 62.12 N ATOM 968 CA PHE A 65 -9.941 18.687 -20.922 1.00 3.14 C ATOM 969 C PHE A 65 -9.377 18.221 -19.573 1.00 20.13 C ATOM 970 O PHE A 65 -8.521 18.879 -18.994 1.00 40.02 O ATOM 971 CB PHE A 65 -11.084 19.679 -20.688 1.00 22.21 C ATOM 972 CG PHE A 65 -11.529 20.431 -21.939 1.00 31.44 C ATOM 973 CD1 PHE A 65 -10.682 20.578 -23.072 1.00 31.42 C ATOM 974 CD2 PHE A 65 -12.801 21.033 -21.972 1.00 63.05 C ATOM 975 CE1 PHE A 65 -11.107 21.311 -24.209 1.00 30.51 C ATOM 976 CE2 PHE A 65 -13.233 21.774 -23.115 1.00 62.35 C ATOM 977 CZ PHE A 65 -12.380 21.913 -24.226 1.00 21.31 C ATOM 0 H PHE A 65 -11.406 17.508 -21.869 1.00 62.12 H new ATOM 0 HA PHE A 65 -9.134 19.177 -21.467 1.00 3.14 H new ATOM 0 HB2 PHE A 65 -11.939 19.140 -20.279 1.00 22.21 H new ATOM 0 HB3 PHE A 65 -10.773 20.403 -19.935 1.00 22.21 H new ATOM 0 HD1 PHE A 65 -9.702 20.125 -23.066 1.00 31.42 H new ATOM 0 HD2 PHE A 65 -13.460 20.933 -21.122 1.00 63.05 H new ATOM 0 HE1 PHE A 65 -10.453 21.408 -25.063 1.00 30.51 H new ATOM 0 HE2 PHE A 65 -14.213 22.227 -23.126 1.00 62.35 H new ATOM 0 HZ PHE A 65 -12.701 22.479 -25.088 1.00 21.31 H new ATOM 987 N SER A 66 -9.859 17.087 -19.080 1.00 54.52 N ATOM 988 CA SER A 66 -9.374 16.541 -17.810 1.00 61.44 C ATOM 989 C SER A 66 -8.087 15.750 -18.018 1.00 22.51 C ATOM 990 O SER A 66 -7.344 15.486 -17.075 1.00 13.22 O ATOM 991 CB SER A 66 -10.417 15.611 -17.198 1.00 34.25 C ATOM 992 OG SER A 66 -11.667 16.274 -17.091 1.00 11.15 O ATOM 0 H SER A 66 -10.581 16.527 -19.534 1.00 54.52 H new ATOM 0 HA SER A 66 -9.184 17.380 -17.141 1.00 61.44 H new ATOM 0 HB2 SER A 66 -10.523 14.718 -17.814 1.00 34.25 H new ATOM 0 HB3 SER A 66 -10.087 15.282 -16.213 1.00 34.25 H new ATOM 0 HG SER A 66 -12.135 16.231 -17.951 1.00 11.15 H new ATOM 998 N SER A 67 -7.843 15.334 -19.251 1.00 65.21 N ATOM 999 CA SER A 67 -6.682 14.514 -19.590 1.00 4.35 C ATOM 1000 C SER A 67 -6.269 14.778 -21.040 1.00 61.23 C ATOM 1001 O SER A 67 -6.706 14.072 -21.942 1.00 50.22 O ATOM 1002 CB SER A 67 -7.032 13.035 -19.417 1.00 13.31 C ATOM 1003 OG SER A 67 -7.473 12.791 -18.091 1.00 73.12 O ATOM 0 H SER A 67 -8.442 15.553 -20.047 1.00 65.21 H new ATOM 0 HA SER A 67 -5.854 14.770 -18.929 1.00 4.35 H new ATOM 0 HB2 SER A 67 -7.811 12.752 -20.125 1.00 13.31 H new ATOM 0 HB3 SER A 67 -6.161 12.419 -19.638 1.00 13.31 H new ATOM 0 HG SER A 67 -7.544 11.825 -17.942 1.00 73.12 H new ATOM 1009 N PRO A 68 -5.453 15.820 -21.283 1.00 65.13 N ATOM 1010 CA PRO A 68 -5.116 16.183 -22.666 1.00 4.23 C ATOM 1011 C PRO A 68 -4.049 15.315 -23.336 1.00 73.01 C ATOM 1012 O PRO A 68 -3.454 15.735 -24.320 1.00 13.33 O ATOM 1013 CB PRO A 68 -4.630 17.624 -22.509 1.00 24.11 C ATOM 1014 CG PRO A 68 -3.953 17.618 -21.199 1.00 21.42 C ATOM 1015 CD PRO A 68 -4.840 16.765 -20.324 1.00 24.41 C ATOM 0 HA PRO A 68 -5.972 16.043 -23.326 1.00 4.23 H new ATOM 0 HB2 PRO A 68 -3.949 17.908 -23.311 1.00 24.11 H new ATOM 0 HB3 PRO A 68 -5.459 18.332 -22.529 1.00 24.11 H new ATOM 0 HG2 PRO A 68 -2.948 17.202 -21.272 1.00 21.42 H new ATOM 0 HG3 PRO A 68 -3.852 18.627 -20.799 1.00 21.42 H new ATOM 0 HD2 PRO A 68 -4.268 16.245 -19.556 1.00 24.41 H new ATOM 0 HD3 PRO A 68 -5.593 17.362 -19.810 1.00 24.41 H new ATOM 1023 N THR A 69 -3.791 14.130 -22.801 1.00 73.44 N ATOM 1024 CA THR A 69 -2.788 13.229 -23.365 1.00 62.14 C ATOM 1025 C THR A 69 -3.490 11.995 -23.903 1.00 75.25 C ATOM 1026 O THR A 69 -4.593 11.661 -23.441 1.00 54.44 O ATOM 1027 CB THR A 69 -1.761 12.782 -22.307 1.00 61.01 C ATOM 1028 OG1 THR A 69 -2.435 12.098 -21.246 1.00 31.41 O ATOM 1029 CG2 THR A 69 -1.046 13.955 -21.717 1.00 75.11 C ATOM 0 H THR A 69 -4.263 13.766 -21.973 1.00 73.44 H new ATOM 0 HA THR A 69 -2.258 13.763 -24.154 1.00 62.14 H new ATOM 0 HB THR A 69 -1.040 12.129 -22.799 1.00 61.01 H new ATOM 0 HG1 THR A 69 -1.782 11.812 -20.574 1.00 31.41 H new ATOM 0 HG21 THR A 69 -0.328 13.607 -20.974 1.00 75.11 H new ATOM 0 HG22 THR A 69 -0.520 14.495 -22.505 1.00 75.11 H new ATOM 0 HG23 THR A 69 -1.768 14.619 -21.241 1.00 75.11 H new ATOM 1037 N PRO A 70 -2.889 11.298 -24.893 1.00 43.30 N ATOM 1038 CA PRO A 70 -3.650 10.177 -25.439 1.00 34.11 C ATOM 1039 C PRO A 70 -3.806 9.007 -24.448 1.00 43.44 C ATOM 1040 O PRO A 70 -4.860 8.362 -24.424 1.00 53.13 O ATOM 1041 CB PRO A 70 -2.831 9.788 -26.684 1.00 14.35 C ATOM 1042 CG PRO A 70 -1.493 10.166 -26.371 1.00 22.21 C ATOM 1043 CD PRO A 70 -1.613 11.457 -25.609 1.00 34.12 C ATOM 0 HA PRO A 70 -4.683 10.442 -25.665 1.00 34.11 H new ATOM 0 HB2 PRO A 70 -2.903 8.720 -26.887 1.00 14.35 H new ATOM 0 HB3 PRO A 70 -3.191 10.306 -27.573 1.00 14.35 H new ATOM 0 HG2 PRO A 70 -0.998 9.401 -25.773 1.00 22.21 H new ATOM 0 HG3 PRO A 70 -0.899 10.297 -27.276 1.00 22.21 H new ATOM 0 HD2 PRO A 70 -0.779 11.600 -24.922 1.00 34.12 H new ATOM 0 HD3 PRO A 70 -1.628 12.320 -26.275 1.00 34.12 H new ATOM 1051 N ALA A 71 -2.827 8.770 -23.578 1.00 73.23 N ATOM 1052 CA ALA A 71 -2.968 7.729 -22.568 1.00 40.25 C ATOM 1053 C ALA A 71 -3.921 8.173 -21.470 1.00 20.12 C ATOM 1054 O ALA A 71 -4.699 7.380 -20.929 1.00 22.10 O ATOM 1055 CB ALA A 71 -1.622 7.395 -21.965 1.00 12.51 C ATOM 0 H ALA A 71 -1.942 9.276 -23.552 1.00 73.23 H new ATOM 0 HA ALA A 71 -3.375 6.841 -23.052 1.00 40.25 H new ATOM 0 HB1 ALA A 71 -1.744 6.616 -21.212 1.00 12.51 H new ATOM 0 HB2 ALA A 71 -0.950 7.042 -22.747 1.00 12.51 H new ATOM 0 HB3 ALA A 71 -1.200 8.286 -21.500 1.00 12.51 H new ATOM 1061 N GLY A 72 -3.882 9.460 -21.153 1.00 50.32 N ATOM 1062 CA GLY A 72 -4.736 9.985 -20.113 1.00 34.13 C ATOM 1063 C GLY A 72 -6.189 9.874 -20.501 1.00 44.01 C ATOM 1064 O GLY A 72 -6.998 9.338 -19.755 1.00 4.41 O ATOM 0 H GLY A 72 -3.274 10.147 -21.598 1.00 50.32 H new ATOM 0 HA2 GLY A 72 -4.561 9.441 -19.185 1.00 34.13 H new ATOM 0 HA3 GLY A 72 -4.485 11.029 -19.923 1.00 34.13 H new ATOM 1068 N VAL A 73 -6.517 10.350 -21.694 1.00 21.21 N ATOM 1069 CA VAL A 73 -7.901 10.345 -22.157 1.00 2.01 C ATOM 1070 C VAL A 73 -8.404 8.915 -22.336 1.00 4.20 C ATOM 1071 O VAL A 73 -9.565 8.633 -22.049 1.00 14.22 O ATOM 1072 CB VAL A 73 -8.077 11.223 -23.430 1.00 71.44 C ATOM 1073 CG1 VAL A 73 -7.578 10.520 -24.706 1.00 5.12 C ATOM 1074 CG2 VAL A 73 -9.541 11.644 -23.609 1.00 31.35 C ATOM 0 H VAL A 73 -5.849 10.743 -22.357 1.00 21.21 H new ATOM 0 HA VAL A 73 -8.528 10.803 -21.391 1.00 2.01 H new ATOM 0 HB VAL A 73 -7.462 12.110 -23.279 1.00 71.44 H new ATOM 0 HG11 VAL A 73 -7.724 11.176 -25.564 1.00 5.12 H new ATOM 0 HG12 VAL A 73 -6.518 10.288 -24.603 1.00 5.12 H new ATOM 0 HG13 VAL A 73 -8.138 9.597 -24.856 1.00 5.12 H new ATOM 0 HG21 VAL A 73 -9.636 12.257 -24.506 1.00 31.35 H new ATOM 0 HG22 VAL A 73 -10.165 10.756 -23.708 1.00 31.35 H new ATOM 0 HG23 VAL A 73 -9.863 12.219 -22.741 1.00 31.35 H new ATOM 1084 N ALA A 74 -7.536 7.987 -22.719 1.00 20.12 N ATOM 1085 CA ALA A 74 -7.918 6.578 -22.889 1.00 32.41 C ATOM 1086 C ALA A 74 -8.398 5.961 -21.570 1.00 62.25 C ATOM 1087 O ALA A 74 -9.413 5.263 -21.500 1.00 1.22 O ATOM 1088 CB ALA A 74 -6.727 5.775 -23.395 1.00 11.01 C ATOM 0 H ALA A 74 -6.555 8.180 -22.921 1.00 20.12 H new ATOM 0 HA ALA A 74 -8.735 6.546 -23.610 1.00 32.41 H new ATOM 0 HB1 ALA A 74 -7.018 4.732 -23.519 1.00 11.01 H new ATOM 0 HB2 ALA A 74 -6.399 6.176 -24.354 1.00 11.01 H new ATOM 0 HB3 ALA A 74 -5.911 5.842 -22.675 1.00 11.01 H new ATOM 1094 N ARG A 75 -7.643 6.202 -20.539 1.00 72.01 N ATOM 1095 CA ARG A 75 -7.938 5.630 -19.222 1.00 10.00 C ATOM 1096 C ARG A 75 -9.117 6.370 -18.590 1.00 4.42 C ATOM 1097 O ARG A 75 -9.920 5.788 -17.854 1.00 23.22 O ATOM 1098 CB ARG A 75 -6.667 5.646 -18.350 1.00 65.04 C ATOM 1099 CG ARG A 75 -5.556 4.784 -19.032 1.00 43.02 C ATOM 1100 CD ARG A 75 -4.203 4.917 -18.331 1.00 32.22 C ATOM 1101 NE ARG A 75 -3.147 4.308 -19.152 1.00 65.23 N ATOM 1102 CZ ARG A 75 -1.861 4.202 -18.833 1.00 32.51 C ATOM 1103 NH1 ARG A 75 -1.370 4.631 -17.698 1.00 70.13 N ATOM 1104 NH2 ARG A 75 -1.046 3.659 -19.690 1.00 50.03 N ATOM 0 H ARG A 75 -6.811 6.791 -20.567 1.00 72.01 H new ATOM 0 HA ARG A 75 -8.238 4.587 -19.317 1.00 10.00 H new ATOM 0 HB2 ARG A 75 -6.317 6.670 -18.217 1.00 65.04 H new ATOM 0 HB3 ARG A 75 -6.889 5.253 -17.358 1.00 65.04 H new ATOM 0 HG2 ARG A 75 -5.861 3.737 -19.032 1.00 43.02 H new ATOM 0 HG3 ARG A 75 -5.454 5.086 -20.074 1.00 43.02 H new ATOM 0 HD2 ARG A 75 -3.977 5.969 -18.156 1.00 32.22 H new ATOM 0 HD3 ARG A 75 -4.241 4.432 -17.355 1.00 32.22 H new ATOM 0 HE ARG A 75 -3.429 3.929 -20.056 1.00 65.23 H new ATOM 0 HH11 ARG A 75 -1.983 5.070 -17.011 1.00 70.13 H new ATOM 0 HH12 ARG A 75 -0.375 4.526 -17.501 1.00 70.13 H new ATOM 0 HH21 ARG A 75 -1.398 3.324 -20.587 1.00 50.03 H new ATOM 0 HH22 ARG A 75 -0.055 3.568 -19.465 1.00 50.03 H new ATOM 1118 N ALA A 76 -9.232 7.655 -18.894 1.00 53.40 N ATOM 1119 CA ALA A 76 -10.342 8.458 -18.395 1.00 52.30 C ATOM 1120 C ALA A 76 -11.678 8.081 -19.042 1.00 11.11 C ATOM 1121 O ALA A 76 -12.697 8.025 -18.370 1.00 53.02 O ATOM 1122 CB ALA A 76 -10.047 9.949 -18.634 1.00 31.31 C ATOM 0 H ALA A 76 -8.572 8.164 -19.482 1.00 53.40 H new ATOM 0 HA ALA A 76 -10.436 8.258 -17.328 1.00 52.30 H new ATOM 0 HB1 ALA A 76 -10.877 10.549 -18.261 1.00 31.31 H new ATOM 0 HB2 ALA A 76 -9.133 10.228 -18.109 1.00 31.31 H new ATOM 0 HB3 ALA A 76 -9.921 10.128 -19.702 1.00 31.31 H new ATOM 1128 N LEU A 77 -11.674 7.839 -20.341 1.00 23.11 N ATOM 1129 CA LEU A 77 -12.897 7.520 -21.067 1.00 35.25 C ATOM 1130 C LEU A 77 -13.346 6.095 -20.784 1.00 1.44 C ATOM 1131 O LEU A 77 -14.534 5.808 -20.791 1.00 14.31 O ATOM 1132 CB LEU A 77 -12.734 7.770 -22.575 1.00 22.52 C ATOM 1133 CG LEU A 77 -11.897 6.769 -23.401 1.00 50.24 C ATOM 1134 CD1 LEU A 77 -12.739 5.575 -23.924 1.00 41.42 C ATOM 1135 CD2 LEU A 77 -11.289 7.447 -24.597 1.00 60.14 C ATOM 0 H LEU A 77 -10.834 7.857 -20.920 1.00 23.11 H new ATOM 0 HA LEU A 77 -13.680 8.189 -20.710 1.00 35.25 H new ATOM 0 HB2 LEU A 77 -13.731 7.810 -23.014 1.00 22.52 H new ATOM 0 HB3 LEU A 77 -12.290 8.757 -22.701 1.00 22.52 H new ATOM 0 HG LEU A 77 -11.128 6.396 -22.725 1.00 50.24 H new ATOM 0 HD11 LEU A 77 -12.101 4.903 -24.498 1.00 41.42 H new ATOM 0 HD12 LEU A 77 -13.168 5.035 -23.080 1.00 41.42 H new ATOM 0 HD13 LEU A 77 -13.541 5.947 -24.562 1.00 41.42 H new ATOM 0 HD21 LEU A 77 -10.703 6.725 -25.166 1.00 60.14 H new ATOM 0 HD22 LEU A 77 -12.081 7.850 -25.228 1.00 60.14 H new ATOM 0 HD23 LEU A 77 -10.641 8.258 -24.265 1.00 60.14 H new