USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 508 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 180:sc= 0.0773 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 74:sc= 0.598 USER MOD Single : A 19 TYR OH : rot -176:sc= 1.18 USER MOD Single : A 35 HIS : no HD1:sc= -0.0077 X(o=-0.0077,f=-0.0077) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.00254 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.163 K(o=-0.16,f=-3!) USER MOD Single : A 66 SER OG : rot 76:sc= 0.117 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0362 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N ALA A 10 17.986 1.379 -6.178 1.00 0.12 N ATOM 118 CA ALA A 10 18.386 2.254 -7.275 1.00 64.22 C ATOM 119 C ALA A 10 18.861 1.488 -8.515 1.00 20.31 C ATOM 120 O ALA A 10 18.620 1.921 -9.635 1.00 43.44 O ATOM 121 CB ALA A 10 19.477 3.193 -6.801 1.00 52.52 C ATOM 0 HA ALA A 10 17.501 2.816 -7.574 1.00 64.22 H new ATOM 0 HB1 ALA A 10 19.776 3.847 -7.620 1.00 52.52 H new ATOM 0 HB2 ALA A 10 19.104 3.796 -5.973 1.00 52.52 H new ATOM 0 HB3 ALA A 10 20.337 2.612 -6.468 1.00 52.52 H new ATOM 127 N THR A 11 19.556 0.374 -8.334 1.00 42.43 N ATOM 128 CA THR A 11 20.099 -0.375 -9.479 1.00 33.40 C ATOM 129 C THR A 11 19.003 -1.079 -10.266 1.00 11.35 C ATOM 130 O THR A 11 19.127 -1.303 -11.457 1.00 61.12 O ATOM 131 CB THR A 11 21.083 -1.437 -9.028 1.00 12.04 C ATOM 132 OG1 THR A 11 21.559 -1.098 -7.727 1.00 30.21 O ATOM 133 CG2 THR A 11 22.264 -1.510 -9.987 1.00 32.52 C ATOM 0 H THR A 11 19.760 -0.034 -7.422 1.00 42.43 H new ATOM 0 HA THR A 11 20.596 0.363 -10.109 1.00 33.40 H new ATOM 0 HB THR A 11 20.582 -2.405 -9.012 1.00 12.04 H new ATOM 0 HG1 THR A 11 22.195 -1.779 -7.424 1.00 30.21 H new ATOM 0 HG21 THR A 11 22.961 -2.277 -9.649 1.00 32.52 H new ATOM 0 HG22 THR A 11 21.907 -1.760 -10.986 1.00 32.52 H new ATOM 0 HG23 THR A 11 22.771 -0.546 -10.014 1.00 32.52 H new ATOM 141 N GLU A 12 17.916 -1.427 -9.594 1.00 63.41 N ATOM 142 CA GLU A 12 16.837 -2.153 -10.239 1.00 52.13 C ATOM 143 C GLU A 12 16.249 -1.308 -11.369 1.00 11.15 C ATOM 144 O GLU A 12 15.849 -1.853 -12.403 1.00 74.44 O ATOM 145 CB GLU A 12 15.750 -2.401 -9.235 1.00 20.32 C ATOM 146 CG GLU A 12 16.152 -3.343 -8.129 1.00 11.35 C ATOM 147 CD GLU A 12 15.164 -3.352 -6.974 1.00 30.12 C ATOM 148 OE1 GLU A 12 14.074 -2.780 -7.099 1.00 3.43 O ATOM 149 OE2 GLU A 12 15.576 -3.764 -5.867 1.00 24.22 O ATOM 0 H GLU A 12 17.760 -1.219 -8.608 1.00 63.41 H new ATOM 0 HA GLU A 12 17.224 -3.092 -10.635 1.00 52.13 H new ATOM 0 HB2 GLU A 12 15.447 -1.450 -8.798 1.00 20.32 H new ATOM 0 HB3 GLU A 12 14.879 -2.808 -9.748 1.00 20.32 H new ATOM 0 HG2 GLU A 12 16.242 -4.352 -8.532 1.00 11.35 H new ATOM 0 HG3 GLU A 12 17.136 -3.060 -7.757 1.00 11.35 H new ATOM 156 N LYS A 13 16.268 0.005 -11.214 1.00 44.43 N ATOM 157 CA LYS A 13 15.725 0.872 -12.262 1.00 42.42 C ATOM 158 C LYS A 13 16.570 0.847 -13.523 1.00 31.53 C ATOM 159 O LYS A 13 16.052 0.985 -14.615 1.00 32.12 O ATOM 160 CB LYS A 13 15.564 2.293 -11.726 1.00 40.00 C ATOM 161 CG LYS A 13 16.763 3.200 -11.966 1.00 20.21 C ATOM 162 CD LYS A 13 16.664 4.463 -11.149 1.00 42.14 C ATOM 163 CE LYS A 13 17.829 5.385 -11.466 1.00 1.43 C ATOM 164 NZ LYS A 13 17.766 6.629 -10.630 1.00 10.33 N ATOM 0 H LYS A 13 16.641 0.490 -10.398 1.00 44.43 H new ATOM 0 HA LYS A 13 14.745 0.488 -12.543 1.00 42.42 H new ATOM 0 HB2 LYS A 13 14.686 2.744 -12.187 1.00 40.00 H new ATOM 0 HB3 LYS A 13 15.371 2.243 -10.654 1.00 40.00 H new ATOM 0 HG2 LYS A 13 17.680 2.670 -11.711 1.00 20.21 H new ATOM 0 HG3 LYS A 13 16.825 3.453 -13.025 1.00 20.21 H new ATOM 0 HD2 LYS A 13 15.722 4.969 -11.361 1.00 42.14 H new ATOM 0 HD3 LYS A 13 16.663 4.219 -10.087 1.00 42.14 H new ATOM 0 HE2 LYS A 13 18.770 4.866 -11.283 1.00 1.43 H new ATOM 0 HE3 LYS A 13 17.812 5.650 -12.523 1.00 1.43 H new ATOM 0 HZ1 LYS A 13 18.571 7.245 -10.863 1.00 10.33 H new ATOM 0 HZ2 LYS A 13 16.877 7.133 -10.824 1.00 10.33 H new ATOM 0 HZ3 LYS A 13 17.806 6.373 -9.623 1.00 10.33 H new ATOM 178 N VAL A 14 17.875 0.667 -13.379 1.00 72.22 N ATOM 179 CA VAL A 14 18.759 0.663 -14.537 1.00 13.05 C ATOM 180 C VAL A 14 18.554 -0.664 -15.246 1.00 43.10 C ATOM 181 O VAL A 14 18.551 -0.720 -16.463 1.00 62.44 O ATOM 182 CB VAL A 14 20.275 0.967 -14.167 1.00 10.13 C ATOM 183 CG1 VAL A 14 20.396 1.934 -12.980 1.00 31.20 C ATOM 184 CG2 VAL A 14 21.088 -0.265 -13.838 1.00 15.25 C ATOM 0 H VAL A 14 18.342 0.523 -12.483 1.00 72.22 H new ATOM 0 HA VAL A 14 18.504 1.481 -15.211 1.00 13.05 H new ATOM 0 HB VAL A 14 20.679 1.417 -15.074 1.00 10.13 H new ATOM 0 HG11 VAL A 14 21.449 2.113 -12.762 1.00 31.20 H new ATOM 0 HG12 VAL A 14 19.911 2.878 -13.229 1.00 31.20 H new ATOM 0 HG13 VAL A 14 19.914 1.498 -12.105 1.00 31.20 H new ATOM 0 HG21 VAL A 14 22.110 0.027 -13.597 1.00 15.25 H new ATOM 0 HG22 VAL A 14 20.645 -0.776 -12.983 1.00 15.25 H new ATOM 0 HG23 VAL A 14 21.096 -0.936 -14.697 1.00 15.25 H new ATOM 194 N LEU A 15 18.334 -1.717 -14.479 1.00 60.14 N ATOM 195 CA LEU A 15 18.138 -3.050 -15.043 1.00 35.23 C ATOM 196 C LEU A 15 16.799 -3.149 -15.774 1.00 22.54 C ATOM 197 O LEU A 15 16.748 -3.638 -16.892 1.00 73.13 O ATOM 198 CB LEU A 15 18.207 -4.087 -13.931 1.00 75.14 C ATOM 199 CG LEU A 15 19.592 -4.180 -13.307 1.00 24.13 C ATOM 200 CD1 LEU A 15 19.471 -4.707 -11.915 1.00 14.20 C ATOM 201 CD2 LEU A 15 20.452 -5.111 -14.128 1.00 53.41 C ATOM 0 H LEU A 15 18.286 -1.679 -13.461 1.00 60.14 H new ATOM 0 HA LEU A 15 18.929 -3.239 -15.768 1.00 35.23 H new ATOM 0 HB2 LEU A 15 17.480 -3.836 -13.159 1.00 75.14 H new ATOM 0 HB3 LEU A 15 17.925 -5.062 -14.329 1.00 75.14 H new ATOM 0 HG LEU A 15 20.051 -3.192 -13.284 1.00 24.13 H new ATOM 0 HD11 LEU A 15 20.461 -4.775 -11.464 1.00 14.20 H new ATOM 0 HD12 LEU A 15 18.849 -4.035 -11.324 1.00 14.20 H new ATOM 0 HD13 LEU A 15 19.014 -5.696 -11.939 1.00 14.20 H new ATOM 0 HD21 LEU A 15 21.444 -5.178 -13.682 1.00 53.41 H new ATOM 0 HD22 LEU A 15 19.997 -6.101 -14.151 1.00 53.41 H new ATOM 0 HD23 LEU A 15 20.537 -4.727 -15.144 1.00 53.41 H new ATOM 213 N CYS A 16 15.732 -2.649 -15.168 1.00 60.11 N ATOM 214 CA CYS A 16 14.446 -2.608 -15.840 1.00 73.21 C ATOM 215 C CYS A 16 14.544 -1.855 -17.157 1.00 52.32 C ATOM 216 O CYS A 16 13.809 -2.189 -18.112 1.00 41.10 O ATOM 217 CB CYS A 16 13.392 -1.921 -14.925 1.00 62.32 C ATOM 218 SG CYS A 16 13.068 -2.834 -13.410 1.00 14.31 S ATOM 0 H CYS A 16 15.732 -2.270 -14.221 1.00 60.11 H new ATOM 0 HA CYS A 16 14.138 -3.633 -16.048 1.00 73.21 H new ATOM 0 HB2 CYS A 16 13.738 -0.919 -14.671 1.00 62.32 H new ATOM 0 HB3 CYS A 16 12.460 -1.805 -15.478 1.00 62.32 H new ATOM 0 HG CYS A 16 14.075 -2.700 -12.599 1.00 14.31 H new ATOM 224 N ALA A 17 15.322 -0.779 -17.184 1.00 72.01 N ATOM 225 CA ALA A 17 15.472 -0.055 -18.450 1.00 24.53 C ATOM 226 C ALA A 17 16.264 -0.820 -19.466 1.00 43.32 C ATOM 227 O ALA A 17 15.930 -0.887 -20.603 1.00 12.13 O ATOM 228 CB ALA A 17 16.164 1.339 -18.157 1.00 42.13 C ATOM 0 H ALA A 17 15.837 -0.399 -16.390 1.00 72.01 H new ATOM 0 HA ALA A 17 14.479 0.088 -18.876 1.00 24.53 H new ATOM 0 HB1 ALA A 17 16.283 1.890 -19.090 1.00 42.13 H new ATOM 0 HB2 ALA A 17 15.544 1.916 -17.471 1.00 42.13 H new ATOM 0 HB3 ALA A 17 17.143 1.172 -17.708 1.00 42.13 H new ATOM 234 N LEU A 18 17.291 -1.456 -18.987 1.00 1.41 N ATOM 235 CA LEU A 18 18.157 -2.260 -19.837 1.00 65.21 C ATOM 236 C LEU A 18 17.383 -3.434 -20.472 1.00 65.14 C ATOM 237 O LEU A 18 17.606 -3.818 -21.641 1.00 4.12 O ATOM 238 CB LEU A 18 19.275 -2.841 -18.960 1.00 5.12 C ATOM 239 CG LEU A 18 20.726 -2.372 -19.201 1.00 45.14 C ATOM 240 CD1 LEU A 18 21.156 -2.549 -20.629 1.00 14.35 C ATOM 241 CD2 LEU A 18 20.863 -0.911 -18.788 1.00 22.21 C ATOM 0 H LEU A 18 17.562 -1.441 -18.004 1.00 1.41 H new ATOM 0 HA LEU A 18 18.552 -1.631 -20.634 1.00 65.21 H new ATOM 0 HB2 LEU A 18 19.026 -2.625 -17.921 1.00 5.12 H new ATOM 0 HB3 LEU A 18 19.255 -3.925 -19.074 1.00 5.12 H new ATOM 0 HG LEU A 18 21.381 -2.996 -18.592 1.00 45.14 H new ATOM 0 HD11 LEU A 18 22.183 -2.204 -20.745 1.00 14.35 H new ATOM 0 HD12 LEU A 18 21.094 -3.603 -20.900 1.00 14.35 H new ATOM 0 HD13 LEU A 18 20.503 -1.968 -21.280 1.00 14.35 H new ATOM 0 HD21 LEU A 18 21.887 -0.579 -18.958 1.00 22.21 H new ATOM 0 HD22 LEU A 18 20.181 -0.300 -19.379 1.00 22.21 H new ATOM 0 HD23 LEU A 18 20.619 -0.807 -17.731 1.00 22.21 H new ATOM 253 N TYR A 19 16.421 -3.966 -19.742 1.00 54.44 N ATOM 254 CA TYR A 19 15.571 -5.033 -20.249 1.00 4.32 C ATOM 255 C TYR A 19 14.653 -4.429 -21.312 1.00 63.42 C ATOM 256 O TYR A 19 14.493 -4.992 -22.388 1.00 64.40 O ATOM 257 CB TYR A 19 14.709 -5.623 -19.127 1.00 75.10 C ATOM 258 CG TYR A 19 15.356 -6.679 -18.237 1.00 13.52 C ATOM 259 CD1 TYR A 19 16.701 -6.585 -17.815 1.00 14.54 C ATOM 260 CD2 TYR A 19 14.589 -7.771 -17.786 1.00 1.15 C ATOM 261 CE1 TYR A 19 17.261 -7.562 -16.952 1.00 42.24 C ATOM 262 CE2 TYR A 19 15.148 -8.751 -16.924 1.00 52.50 C ATOM 263 CZ TYR A 19 16.485 -8.638 -16.524 1.00 70.11 C ATOM 264 OH TYR A 19 17.036 -9.584 -15.704 1.00 74.11 O ATOM 0 H TYR A 19 16.206 -3.676 -18.788 1.00 54.44 H new ATOM 0 HA TYR A 19 16.191 -5.829 -20.661 1.00 4.32 H new ATOM 0 HB2 TYR A 19 14.374 -4.804 -18.491 1.00 75.10 H new ATOM 0 HB3 TYR A 19 13.819 -6.060 -19.579 1.00 75.10 H new ATOM 0 HD1 TYR A 19 17.310 -5.760 -18.153 1.00 14.54 H new ATOM 0 HD2 TYR A 19 13.560 -7.864 -18.101 1.00 1.15 H new ATOM 0 HE1 TYR A 19 18.287 -7.472 -16.627 1.00 42.24 H new ATOM 0 HE2 TYR A 19 14.546 -9.578 -16.579 1.00 52.50 H new ATOM 0 HH TYR A 19 16.385 -10.300 -15.547 1.00 74.11 H new ATOM 274 N ALA A 20 14.028 -3.295 -21.002 1.00 44.33 N ATOM 275 CA ALA A 20 13.044 -2.682 -21.904 1.00 41.25 C ATOM 276 C ALA A 20 13.610 -2.278 -23.264 1.00 14.34 C ATOM 277 O ALA A 20 12.951 -2.461 -24.274 1.00 23.44 O ATOM 278 CB ALA A 20 12.426 -1.439 -21.221 1.00 31.44 C ATOM 0 H ALA A 20 14.182 -2.780 -20.135 1.00 44.33 H new ATOM 0 HA ALA A 20 12.291 -3.446 -22.098 1.00 41.25 H new ATOM 0 HB1 ALA A 20 11.695 -0.982 -21.889 1.00 31.44 H new ATOM 0 HB2 ALA A 20 11.934 -1.739 -20.296 1.00 31.44 H new ATOM 0 HB3 ALA A 20 13.212 -0.718 -20.997 1.00 31.44 H new ATOM 284 N GLU A 21 14.837 -1.765 -23.284 1.00 34.14 N ATOM 285 CA GLU A 21 15.462 -1.331 -24.538 1.00 12.11 C ATOM 286 C GLU A 21 15.605 -2.499 -25.503 1.00 62.04 C ATOM 287 O GLU A 21 15.454 -2.358 -26.712 1.00 24.32 O ATOM 288 CB GLU A 21 16.858 -0.763 -24.246 1.00 21.10 C ATOM 289 CG GLU A 21 16.863 0.589 -23.520 1.00 1.15 C ATOM 290 CD GLU A 21 16.394 1.740 -24.406 1.00 24.13 C ATOM 291 OE1 GLU A 21 16.998 1.949 -25.482 1.00 20.41 O ATOM 292 OE2 GLU A 21 15.451 2.453 -24.008 1.00 22.24 O ATOM 0 H GLU A 21 15.418 -1.639 -22.455 1.00 34.14 H new ATOM 0 HA GLU A 21 14.827 -0.569 -24.990 1.00 12.11 H new ATOM 0 HB2 GLU A 21 17.410 -1.485 -23.644 1.00 21.10 H new ATOM 0 HB3 GLU A 21 17.396 -0.656 -25.188 1.00 21.10 H new ATOM 0 HG2 GLU A 21 16.219 0.527 -22.642 1.00 1.15 H new ATOM 0 HG3 GLU A 21 17.871 0.800 -23.162 1.00 1.15 H new ATOM 299 N ILE A 22 15.915 -3.666 -24.960 1.00 1.01 N ATOM 300 CA ILE A 22 16.129 -4.864 -25.767 1.00 4.11 C ATOM 301 C ILE A 22 14.816 -5.561 -26.127 1.00 34.13 C ATOM 302 O ILE A 22 14.670 -6.104 -27.221 1.00 74.13 O ATOM 303 CB ILE A 22 17.072 -5.845 -25.002 1.00 3.42 C ATOM 304 CG1 ILE A 22 18.450 -5.170 -24.822 1.00 4.31 C ATOM 305 CG2 ILE A 22 17.219 -7.192 -25.759 1.00 51.02 C ATOM 306 CD1 ILE A 22 19.406 -5.926 -23.961 1.00 64.34 C ATOM 0 H ILE A 22 16.025 -3.812 -23.957 1.00 1.01 H new ATOM 0 HA ILE A 22 16.594 -4.558 -26.704 1.00 4.11 H new ATOM 0 HB ILE A 22 16.639 -6.069 -24.027 1.00 3.42 H new ATOM 0 HG12 ILE A 22 18.901 -5.028 -25.804 1.00 4.31 H new ATOM 0 HG13 ILE A 22 18.301 -4.179 -24.393 1.00 4.31 H new ATOM 0 HG21 ILE A 22 17.882 -7.853 -25.200 1.00 51.02 H new ATOM 0 HG22 ILE A 22 16.240 -7.661 -25.861 1.00 51.02 H new ATOM 0 HG23 ILE A 22 17.638 -7.009 -26.748 1.00 51.02 H new ATOM 0 HD11 ILE A 22 20.345 -5.377 -23.892 1.00 64.34 H new ATOM 0 HD12 ILE A 22 18.981 -6.046 -22.964 1.00 64.34 H new ATOM 0 HD13 ILE A 22 19.591 -6.908 -24.397 1.00 64.34 H new ATOM 318 N LEU A 23 13.877 -5.561 -25.191 1.00 33.41 N ATOM 319 CA LEU A 23 12.600 -6.248 -25.397 1.00 75.10 C ATOM 320 C LEU A 23 11.607 -5.401 -26.179 1.00 73.55 C ATOM 321 O LEU A 23 10.618 -5.921 -26.685 1.00 14.22 O ATOM 322 CB LEU A 23 11.992 -6.646 -24.042 1.00 23.21 C ATOM 323 CG LEU A 23 12.366 -8.025 -23.461 1.00 22.13 C ATOM 324 CD1 LEU A 23 11.771 -9.126 -24.312 1.00 24.33 C ATOM 325 CD2 LEU A 23 13.875 -8.248 -23.311 1.00 25.53 C ATOM 0 H LEU A 23 13.969 -5.098 -24.287 1.00 33.41 H new ATOM 0 HA LEU A 23 12.805 -7.141 -25.988 1.00 75.10 H new ATOM 0 HB2 LEU A 23 12.276 -5.888 -23.312 1.00 23.21 H new ATOM 0 HB3 LEU A 23 10.907 -6.606 -24.138 1.00 23.21 H new ATOM 0 HG LEU A 23 11.948 -8.050 -22.454 1.00 22.13 H new ATOM 0 HD11 LEU A 23 12.041 -10.096 -23.893 1.00 24.33 H new ATOM 0 HD12 LEU A 23 10.686 -9.027 -24.328 1.00 24.33 H new ATOM 0 HD13 LEU A 23 12.157 -9.049 -25.328 1.00 24.33 H new ATOM 0 HD21 LEU A 23 14.057 -9.240 -22.897 1.00 25.53 H new ATOM 0 HD22 LEU A 23 14.353 -8.169 -24.287 1.00 25.53 H new ATOM 0 HD23 LEU A 23 14.290 -7.494 -22.642 1.00 25.53 H new ATOM 337 N GLY A 24 11.875 -4.107 -26.287 1.00 0.34 N ATOM 338 CA GLY A 24 10.990 -3.222 -27.035 1.00 23.03 C ATOM 339 C GLY A 24 9.679 -2.964 -26.339 1.00 72.04 C ATOM 340 O GLY A 24 8.639 -2.848 -26.989 1.00 14.12 O ATOM 0 H GLY A 24 12.687 -3.650 -25.872 1.00 0.34 H new ATOM 0 HA2 GLY A 24 11.496 -2.272 -27.205 1.00 23.03 H new ATOM 0 HA3 GLY A 24 10.794 -3.658 -28.014 1.00 23.03 H new ATOM 344 N VAL A 25 9.714 -2.893 -25.014 1.00 62.20 N ATOM 345 CA VAL A 25 8.474 -2.759 -24.219 1.00 35.15 C ATOM 346 C VAL A 25 8.311 -1.380 -23.582 1.00 55.34 C ATOM 347 O VAL A 25 9.259 -0.649 -23.306 1.00 73.13 O ATOM 348 CB VAL A 25 8.328 -3.785 -23.123 1.00 54.34 C ATOM 349 CG1 VAL A 25 8.161 -5.141 -23.698 1.00 63.42 C ATOM 350 CG2 VAL A 25 9.533 -3.796 -22.191 1.00 4.43 C ATOM 0 H VAL A 25 10.571 -2.924 -24.462 1.00 62.20 H new ATOM 0 HA VAL A 25 7.694 -2.921 -24.963 1.00 35.15 H new ATOM 0 HB VAL A 25 7.443 -3.509 -22.549 1.00 54.34 H new ATOM 0 HG11 VAL A 25 8.057 -5.868 -22.892 1.00 63.42 H new ATOM 0 HG12 VAL A 25 7.269 -5.163 -24.324 1.00 63.42 H new ATOM 0 HG13 VAL A 25 9.034 -5.390 -24.301 1.00 63.42 H new ATOM 0 HG21 VAL A 25 9.387 -4.549 -21.416 1.00 4.43 H new ATOM 0 HG22 VAL A 25 10.432 -4.031 -22.761 1.00 4.43 H new ATOM 0 HG23 VAL A 25 9.644 -2.816 -21.728 1.00 4.43 H new ATOM 360 N GLU A 26 7.059 -1.109 -23.246 1.00 34.31 N ATOM 361 CA GLU A 26 6.658 0.123 -22.572 1.00 11.22 C ATOM 362 C GLU A 26 7.186 0.171 -21.152 1.00 4.45 C ATOM 363 O GLU A 26 7.394 1.260 -20.600 1.00 32.14 O ATOM 364 CB GLU A 26 5.111 0.224 -22.559 1.00 42.43 C ATOM 365 CG GLU A 26 4.394 -0.739 -21.564 1.00 0.12 C ATOM 366 CD GLU A 26 2.890 -0.495 -21.459 1.00 33.13 C ATOM 367 OE1 GLU A 26 2.341 0.330 -22.212 1.00 53.51 O ATOM 368 OE2 GLU A 26 2.260 -1.132 -20.563 1.00 23.52 O ATOM 0 H GLU A 26 6.282 -1.743 -23.434 1.00 34.31 H new ATOM 0 HA GLU A 26 7.081 0.966 -23.118 1.00 11.22 H new ATOM 0 HB2 GLU A 26 4.831 1.249 -22.314 1.00 42.43 H new ATOM 0 HB3 GLU A 26 4.741 0.024 -23.565 1.00 42.43 H new ATOM 0 HG2 GLU A 26 4.566 -1.768 -21.879 1.00 0.12 H new ATOM 0 HG3 GLU A 26 4.842 -0.628 -20.577 1.00 0.12 H new ATOM 375 N ARG A 27 7.352 -0.989 -20.516 1.00 62.43 N ATOM 376 CA ARG A 27 7.693 -1.063 -19.104 1.00 1.43 C ATOM 377 C ARG A 27 8.122 -2.474 -18.737 1.00 72.23 C ATOM 378 O ARG A 27 7.623 -3.433 -19.303 1.00 22.42 O ATOM 379 CB ARG A 27 6.463 -0.691 -18.255 1.00 53.43 C ATOM 380 CG ARG A 27 6.778 -0.194 -16.867 1.00 0.11 C ATOM 381 CD ARG A 27 5.486 0.120 -16.112 1.00 21.22 C ATOM 382 NE ARG A 27 5.778 0.818 -14.857 1.00 31.35 N ATOM 383 CZ ARG A 27 4.998 0.838 -13.780 1.00 12.01 C ATOM 384 NH1 ARG A 27 3.840 0.226 -13.723 1.00 65.10 N ATOM 385 NH2 ARG A 27 5.405 1.489 -12.728 1.00 65.12 N ATOM 0 H ARG A 27 7.253 -1.898 -20.968 1.00 62.43 H new ATOM 0 HA ARG A 27 8.511 -0.370 -18.910 1.00 1.43 H new ATOM 0 HB2 ARG A 27 5.896 0.077 -18.780 1.00 53.43 H new ATOM 0 HB3 ARG A 27 5.817 -1.565 -18.174 1.00 53.43 H new ATOM 0 HG2 ARG A 27 7.351 -0.946 -16.325 1.00 0.11 H new ATOM 0 HG3 ARG A 27 7.400 0.699 -16.925 1.00 0.11 H new ATOM 0 HD2 ARG A 27 4.836 0.735 -16.734 1.00 21.22 H new ATOM 0 HD3 ARG A 27 4.947 -0.804 -15.903 1.00 21.22 H new ATOM 0 HE ARG A 27 6.656 1.334 -14.805 1.00 31.35 H new ATOM 0 HH11 ARG A 27 3.499 -0.297 -14.530 1.00 65.10 H new ATOM 0 HH12 ARG A 27 3.280 0.273 -12.872 1.00 65.10 H new ATOM 0 HH21 ARG A 27 6.305 1.969 -12.742 1.00 65.12 H new ATOM 0 HH22 ARG A 27 4.824 1.519 -11.890 1.00 65.12 H new ATOM 399 N VAL A 28 8.993 -2.586 -17.744 1.00 41.22 N ATOM 400 CA VAL A 28 9.403 -3.878 -17.190 1.00 14.41 C ATOM 401 C VAL A 28 9.187 -3.763 -15.687 1.00 23.43 C ATOM 402 O VAL A 28 9.549 -2.758 -15.079 1.00 71.44 O ATOM 403 CB VAL A 28 10.901 -4.166 -17.514 1.00 71.53 C ATOM 404 CG1 VAL A 28 11.430 -5.407 -16.794 1.00 13.40 C ATOM 405 CG2 VAL A 28 11.068 -4.349 -19.010 1.00 2.11 C ATOM 0 H VAL A 28 9.438 -1.785 -17.296 1.00 41.22 H new ATOM 0 HA VAL A 28 8.830 -4.701 -17.617 1.00 14.41 H new ATOM 0 HB VAL A 28 11.478 -3.311 -17.162 1.00 71.53 H new ATOM 0 HG11 VAL A 28 12.477 -5.561 -17.055 1.00 13.40 H new ATOM 0 HG12 VAL A 28 11.342 -5.268 -15.717 1.00 13.40 H new ATOM 0 HG13 VAL A 28 10.849 -6.278 -17.096 1.00 13.40 H new ATOM 0 HG21 VAL A 28 12.115 -4.550 -19.237 1.00 2.11 H new ATOM 0 HG22 VAL A 28 10.456 -5.187 -19.345 1.00 2.11 H new ATOM 0 HG23 VAL A 28 10.753 -3.441 -19.525 1.00 2.11 H new ATOM 415 N GLY A 29 8.561 -4.768 -15.093 1.00 32.01 N ATOM 416 CA GLY A 29 8.367 -4.801 -13.654 1.00 43.43 C ATOM 417 C GLY A 29 9.595 -5.422 -13.028 1.00 75.41 C ATOM 418 O GLY A 29 10.325 -6.157 -13.679 1.00 54.13 O ATOM 0 H GLY A 29 8.178 -5.573 -15.589 1.00 32.01 H new ATOM 0 HA2 GLY A 29 8.211 -3.794 -13.268 1.00 43.43 H new ATOM 0 HA3 GLY A 29 7.478 -5.380 -13.403 1.00 43.43 H new ATOM 422 N VAL A 30 9.833 -5.131 -11.763 1.00 12.00 N ATOM 423 CA VAL A 30 11.045 -5.620 -11.095 1.00 24.13 C ATOM 424 C VAL A 30 11.076 -7.130 -10.901 1.00 63.24 C ATOM 425 O VAL A 30 12.149 -7.702 -10.729 1.00 33.00 O ATOM 426 CB VAL A 30 11.257 -4.967 -9.716 1.00 32.30 C ATOM 427 CG1 VAL A 30 12.443 -4.047 -9.769 1.00 31.33 C ATOM 428 CG2 VAL A 30 10.011 -4.163 -9.251 1.00 64.33 C ATOM 0 H VAL A 30 9.218 -4.567 -11.176 1.00 12.00 H new ATOM 0 HA VAL A 30 11.847 -5.338 -11.777 1.00 24.13 H new ATOM 0 HB VAL A 30 11.427 -5.770 -8.998 1.00 32.30 H new ATOM 0 HG11 VAL A 30 12.590 -3.587 -8.792 1.00 31.33 H new ATOM 0 HG12 VAL A 30 13.333 -4.615 -10.040 1.00 31.33 H new ATOM 0 HG13 VAL A 30 12.268 -3.270 -10.513 1.00 31.33 H new ATOM 0 HG21 VAL A 30 10.207 -3.721 -8.274 1.00 64.33 H new ATOM 0 HG22 VAL A 30 9.798 -3.373 -9.971 1.00 64.33 H new ATOM 0 HG23 VAL A 30 9.152 -4.831 -9.181 1.00 64.33 H new ATOM 438 N ASP A 31 9.915 -7.762 -10.972 1.00 42.34 N ATOM 439 CA ASP A 31 9.790 -9.218 -10.824 1.00 60.43 C ATOM 440 C ASP A 31 9.437 -9.898 -12.144 1.00 54.44 C ATOM 441 O ASP A 31 9.182 -11.088 -12.180 1.00 33.31 O ATOM 442 CB ASP A 31 8.723 -9.553 -9.782 1.00 52.54 C ATOM 443 CG ASP A 31 9.224 -9.347 -8.367 1.00 31.43 C ATOM 444 OD1 ASP A 31 10.298 -9.894 -8.023 1.00 43.33 O ATOM 445 OD2 ASP A 31 8.550 -8.623 -7.601 1.00 53.51 O ATOM 0 H ASP A 31 9.027 -7.287 -11.134 1.00 42.34 H new ATOM 0 HA ASP A 31 10.760 -9.593 -10.498 1.00 60.43 H new ATOM 0 HB2 ASP A 31 7.845 -8.929 -9.950 1.00 52.54 H new ATOM 0 HB3 ASP A 31 8.407 -10.589 -9.907 1.00 52.54 H new ATOM 450 N ASP A 32 9.447 -9.162 -13.234 1.00 35.34 N ATOM 451 CA ASP A 32 9.195 -9.773 -14.550 1.00 74.41 C ATOM 452 C ASP A 32 10.500 -10.403 -14.989 1.00 20.52 C ATOM 453 O ASP A 32 11.521 -9.717 -15.088 1.00 45.21 O ATOM 454 CB ASP A 32 8.748 -8.746 -15.608 1.00 55.23 C ATOM 455 CG ASP A 32 7.311 -8.271 -15.399 1.00 42.34 C ATOM 456 OD1 ASP A 32 6.434 -9.070 -15.014 1.00 73.11 O ATOM 457 OD2 ASP A 32 7.067 -7.069 -15.647 1.00 35.25 O ATOM 0 H ASP A 32 9.622 -8.157 -13.252 1.00 35.34 H new ATOM 0 HA ASP A 32 8.386 -10.498 -14.460 1.00 74.41 H new ATOM 0 HB2 ASP A 32 9.418 -7.887 -15.580 1.00 55.23 H new ATOM 0 HB3 ASP A 32 8.839 -9.189 -16.600 1.00 55.23 H new ATOM 462 N ALA A 33 10.492 -11.712 -15.223 1.00 42.13 N ATOM 463 CA ALA A 33 11.693 -12.379 -15.651 1.00 4.42 C ATOM 464 C ALA A 33 11.981 -11.984 -17.092 1.00 62.32 C ATOM 465 O ALA A 33 11.067 -11.728 -17.864 1.00 72.11 O ATOM 466 CB ALA A 33 11.520 -13.886 -15.516 1.00 72.12 C ATOM 0 H ALA A 33 9.675 -12.315 -15.122 1.00 42.13 H new ATOM 0 HA ALA A 33 12.537 -12.083 -15.028 1.00 4.42 H new ATOM 0 HB1 ALA A 33 12.432 -14.387 -15.841 1.00 72.12 H new ATOM 0 HB2 ALA A 33 11.319 -14.137 -14.475 1.00 72.12 H new ATOM 0 HB3 ALA A 33 10.685 -14.213 -16.136 1.00 72.12 H new ATOM 472 N PHE A 34 13.243 -12.060 -17.488 1.00 44.03 N ATOM 473 CA PHE A 34 13.635 -11.829 -18.884 1.00 14.52 C ATOM 474 C PHE A 34 12.863 -12.788 -19.801 1.00 55.50 C ATOM 475 O PHE A 34 12.541 -12.468 -20.935 1.00 50.22 O ATOM 476 CB PHE A 34 15.146 -12.051 -19.020 1.00 12.11 C ATOM 477 CG PHE A 34 15.731 -11.496 -20.291 1.00 71.13 C ATOM 478 CD1 PHE A 34 16.079 -10.138 -20.368 1.00 54.21 C ATOM 479 CD2 PHE A 34 15.958 -12.324 -21.411 1.00 50.33 C ATOM 480 CE1 PHE A 34 16.657 -9.599 -21.547 1.00 34.44 C ATOM 481 CE2 PHE A 34 16.543 -11.796 -22.595 1.00 73.22 C ATOM 482 CZ PHE A 34 16.897 -10.430 -22.648 1.00 54.22 C ATOM 0 H PHE A 34 14.020 -12.280 -16.865 1.00 44.03 H new ATOM 0 HA PHE A 34 13.397 -10.806 -19.176 1.00 14.52 H new ATOM 0 HB2 PHE A 34 15.649 -11.592 -18.169 1.00 12.11 H new ATOM 0 HB3 PHE A 34 15.352 -13.120 -18.973 1.00 12.11 H new ATOM 0 HD1 PHE A 34 15.904 -9.495 -19.518 1.00 54.21 H new ATOM 0 HD2 PHE A 34 15.685 -13.368 -21.369 1.00 50.33 H new ATOM 0 HE1 PHE A 34 16.911 -8.550 -21.595 1.00 34.44 H new ATOM 0 HE2 PHE A 34 16.715 -12.436 -23.448 1.00 73.22 H new ATOM 0 HZ PHE A 34 17.354 -10.026 -23.539 1.00 54.22 H new ATOM 492 N HIS A 35 12.535 -13.949 -19.254 1.00 75.43 N ATOM 493 CA HIS A 35 11.784 -14.975 -19.967 1.00 43.04 C ATOM 494 C HIS A 35 10.287 -14.663 -20.089 1.00 1.23 C ATOM 495 O HIS A 35 9.678 -14.981 -21.096 1.00 15.20 O ATOM 496 CB HIS A 35 11.965 -16.306 -19.240 1.00 5.22 C ATOM 497 CG HIS A 35 13.400 -16.659 -18.994 1.00 2.40 C ATOM 498 ND1 HIS A 35 14.318 -16.899 -19.984 1.00 70.03 N ATOM 499 CD2 HIS A 35 14.090 -16.805 -17.828 1.00 3.25 C ATOM 500 CE1 HIS A 35 15.487 -17.163 -19.411 1.00 63.43 C ATOM 501 NE2 HIS A 35 15.411 -17.114 -18.095 1.00 24.34 N ATOM 0 H HIS A 35 12.783 -14.208 -18.299 1.00 75.43 H new ATOM 0 HA HIS A 35 12.177 -15.016 -20.983 1.00 43.04 H new ATOM 0 HB2 HIS A 35 11.440 -16.265 -18.286 1.00 5.22 H new ATOM 0 HB3 HIS A 35 11.499 -17.098 -19.826 1.00 5.22 H new ATOM 0 HD2 HIS A 35 13.667 -16.695 -16.840 1.00 3.25 H new ATOM 0 HE1 HIS A 35 16.391 -17.390 -19.957 1.00 63.43 H new ATOM 0 HE2 HIS A 35 16.162 -17.270 -17.422 1.00 24.34 H new ATOM 509 N ASP A 36 9.714 -14.032 -19.071 1.00 22.45 N ATOM 510 CA ASP A 36 8.276 -13.725 -19.043 1.00 51.01 C ATOM 511 C ASP A 36 7.958 -12.679 -20.099 1.00 55.11 C ATOM 512 O ASP A 36 6.885 -12.648 -20.687 1.00 31.22 O ATOM 513 CB ASP A 36 7.862 -13.171 -17.676 1.00 41.12 C ATOM 514 CG ASP A 36 8.075 -14.165 -16.552 1.00 42.30 C ATOM 515 OD1 ASP A 36 8.162 -15.390 -16.814 1.00 2.52 O ATOM 516 OD2 ASP A 36 8.272 -13.701 -15.411 1.00 30.12 O ATOM 0 H ASP A 36 10.222 -13.718 -18.244 1.00 22.45 H new ATOM 0 HA ASP A 36 7.729 -14.647 -19.239 1.00 51.01 H new ATOM 0 HB2 ASP A 36 8.432 -12.266 -17.468 1.00 41.12 H new ATOM 0 HB3 ASP A 36 6.811 -12.885 -17.708 1.00 41.12 H new ATOM 521 N LEU A 37 8.947 -11.838 -20.355 1.00 64.34 N ATOM 522 CA LEU A 37 8.848 -10.790 -21.366 1.00 4.25 C ATOM 523 C LEU A 37 8.997 -11.350 -22.785 1.00 5.24 C ATOM 524 O LEU A 37 8.889 -10.622 -23.758 1.00 2.55 O ATOM 525 CB LEU A 37 9.950 -9.752 -21.124 1.00 25.21 C ATOM 526 CG LEU A 37 9.917 -9.004 -19.785 1.00 64.42 C ATOM 527 CD1 LEU A 37 11.248 -8.291 -19.560 1.00 74.54 C ATOM 528 CD2 LEU A 37 8.774 -8.003 -19.738 1.00 45.33 C ATOM 0 H LEU A 37 9.843 -11.860 -19.869 1.00 64.34 H new ATOM 0 HA LEU A 37 7.861 -10.336 -21.282 1.00 4.25 H new ATOM 0 HB2 LEU A 37 10.914 -10.254 -21.208 1.00 25.21 H new ATOM 0 HB3 LEU A 37 9.904 -9.015 -21.926 1.00 25.21 H new ATOM 0 HG LEU A 37 9.755 -9.733 -18.991 1.00 64.42 H new ATOM 0 HD11 LEU A 37 11.220 -7.761 -18.608 1.00 74.54 H new ATOM 0 HD12 LEU A 37 12.055 -9.023 -19.544 1.00 74.54 H new ATOM 0 HD13 LEU A 37 11.420 -7.579 -20.367 1.00 74.54 H new ATOM 0 HD21 LEU A 37 8.779 -7.490 -18.776 1.00 45.33 H new ATOM 0 HD22 LEU A 37 8.896 -7.274 -20.539 1.00 45.33 H new ATOM 0 HD23 LEU A 37 7.826 -8.526 -19.865 1.00 45.33 H new ATOM 540 N GLY A 38 9.253 -12.650 -22.900 1.00 4.32 N ATOM 541 CA GLY A 38 9.431 -13.276 -24.200 1.00 62.34 C ATOM 542 C GLY A 38 10.850 -13.183 -24.723 1.00 52.43 C ATOM 543 O GLY A 38 11.115 -13.351 -25.918 1.00 61.15 O ATOM 0 H GLY A 38 9.341 -13.287 -22.108 1.00 4.32 H new ATOM 0 HA2 GLY A 38 9.145 -14.326 -24.132 1.00 62.34 H new ATOM 0 HA3 GLY A 38 8.756 -12.807 -24.916 1.00 62.34 H new ATOM 547 N GLY A 39 11.791 -12.926 -23.825 1.00 14.13 N ATOM 548 CA GLY A 39 13.185 -12.836 -24.216 1.00 73.23 C ATOM 549 C GLY A 39 13.776 -14.175 -24.633 1.00 15.41 C ATOM 550 O GLY A 39 13.274 -15.239 -24.277 1.00 21.24 O ATOM 0 H GLY A 39 11.614 -12.778 -22.831 1.00 14.13 H new ATOM 0 HA2 GLY A 39 13.280 -12.131 -25.042 1.00 73.23 H new ATOM 0 HA3 GLY A 39 13.764 -12.433 -23.385 1.00 73.23 H new ATOM 554 N SER A 40 14.864 -14.112 -25.385 1.00 34.41 N ATOM 555 CA SER A 40 15.544 -15.314 -25.880 1.00 51.13 C ATOM 556 C SER A 40 16.963 -15.382 -25.341 1.00 43.44 C ATOM 557 O SER A 40 17.523 -14.371 -24.939 1.00 53.34 O ATOM 558 CB SER A 40 15.593 -15.268 -27.404 1.00 23.54 C ATOM 559 OG SER A 40 14.290 -15.181 -27.957 1.00 33.13 O ATOM 0 H SER A 40 15.303 -13.237 -25.671 1.00 34.41 H new ATOM 0 HA SER A 40 14.995 -16.194 -25.545 1.00 51.13 H new ATOM 0 HB2 SER A 40 16.185 -14.411 -27.726 1.00 23.54 H new ATOM 0 HB3 SER A 40 16.092 -16.160 -27.781 1.00 23.54 H new ATOM 0 HG SER A 40 14.351 -15.151 -28.935 1.00 33.13 H new ATOM 565 N SER A 41 17.578 -16.556 -25.390 1.00 32.03 N ATOM 566 CA SER A 41 18.957 -16.713 -24.925 1.00 12.32 C ATOM 567 C SER A 41 19.933 -15.827 -25.688 1.00 54.31 C ATOM 568 O SER A 41 20.877 -15.295 -25.118 1.00 64.23 O ATOM 569 CB SER A 41 19.381 -18.172 -25.071 1.00 22.11 C ATOM 570 OG SER A 41 18.385 -19.015 -24.527 1.00 11.02 O ATOM 0 H SER A 41 17.150 -17.411 -25.744 1.00 32.03 H new ATOM 0 HA SER A 41 18.984 -16.408 -23.879 1.00 12.32 H new ATOM 0 HB2 SER A 41 19.539 -18.411 -26.123 1.00 22.11 H new ATOM 0 HB3 SER A 41 20.330 -18.338 -24.561 1.00 22.11 H new ATOM 0 HG SER A 41 18.660 -19.951 -24.624 1.00 11.02 H new ATOM 576 N ALA A 42 19.690 -15.642 -26.977 1.00 14.54 N ATOM 577 CA ALA A 42 20.537 -14.789 -27.805 1.00 25.23 C ATOM 578 C ALA A 42 20.428 -13.322 -27.343 1.00 74.40 C ATOM 579 O ALA A 42 21.398 -12.576 -27.391 1.00 3.44 O ATOM 580 CB ALA A 42 20.128 -14.922 -29.284 1.00 51.51 C ATOM 0 H ALA A 42 18.911 -16.072 -27.476 1.00 14.54 H new ATOM 0 HA ALA A 42 21.574 -15.107 -27.699 1.00 25.23 H new ATOM 0 HB1 ALA A 42 20.764 -14.283 -29.896 1.00 51.51 H new ATOM 0 HB2 ALA A 42 20.242 -15.959 -29.601 1.00 51.51 H new ATOM 0 HB3 ALA A 42 19.088 -14.619 -29.402 1.00 51.51 H new ATOM 586 N LEU A 43 19.242 -12.916 -26.907 1.00 41.52 N ATOM 587 CA LEU A 43 19.020 -11.542 -26.441 1.00 50.01 C ATOM 588 C LEU A 43 19.650 -11.352 -25.073 1.00 64.34 C ATOM 589 O LEU A 43 20.127 -10.271 -24.750 1.00 62.32 O ATOM 590 CB LEU A 43 17.525 -11.231 -26.361 1.00 13.44 C ATOM 591 CG LEU A 43 16.855 -10.590 -27.588 1.00 41.51 C ATOM 592 CD1 LEU A 43 16.946 -11.472 -28.838 1.00 53.52 C ATOM 593 CD2 LEU A 43 15.376 -10.329 -27.263 1.00 64.30 C ATOM 0 H LEU A 43 18.416 -13.514 -26.864 1.00 41.52 H new ATOM 0 HA LEU A 43 19.482 -10.860 -27.155 1.00 50.01 H new ATOM 0 HB2 LEU A 43 17.001 -12.162 -26.143 1.00 13.44 H new ATOM 0 HB3 LEU A 43 17.367 -10.569 -25.510 1.00 13.44 H new ATOM 0 HG LEU A 43 17.383 -9.662 -27.807 1.00 41.51 H new ATOM 0 HD11 LEU A 43 16.457 -10.971 -29.673 1.00 53.52 H new ATOM 0 HD12 LEU A 43 17.993 -11.649 -29.083 1.00 53.52 H new ATOM 0 HD13 LEU A 43 16.452 -12.425 -28.648 1.00 53.52 H new ATOM 0 HD21 LEU A 43 14.889 -9.874 -28.125 1.00 64.30 H new ATOM 0 HD22 LEU A 43 14.884 -11.272 -27.024 1.00 64.30 H new ATOM 0 HD23 LEU A 43 15.305 -9.656 -26.409 1.00 64.30 H new ATOM 605 N ALA A 44 19.692 -12.410 -24.277 1.00 62.41 N ATOM 606 CA ALA A 44 20.313 -12.334 -22.955 1.00 71.51 C ATOM 607 C ALA A 44 21.791 -11.968 -23.094 1.00 71.41 C ATOM 608 O ALA A 44 22.320 -11.182 -22.351 1.00 74.01 O ATOM 609 CB ALA A 44 20.163 -13.683 -22.214 1.00 54.22 C ATOM 0 H ALA A 44 19.309 -13.324 -24.516 1.00 62.41 H new ATOM 0 HA ALA A 44 19.811 -11.561 -22.373 1.00 71.51 H new ATOM 0 HB1 ALA A 44 20.630 -13.612 -21.231 1.00 54.22 H new ATOM 0 HB2 ALA A 44 19.105 -13.918 -22.097 1.00 54.22 H new ATOM 0 HB3 ALA A 44 20.648 -14.471 -22.790 1.00 54.22 H new ATOM 615 N MET A 45 22.444 -12.526 -24.094 1.00 11.00 N ATOM 616 CA MET A 45 23.850 -12.223 -24.374 1.00 50.40 C ATOM 617 C MET A 45 24.035 -10.734 -24.697 1.00 42.41 C ATOM 618 O MET A 45 25.062 -10.139 -24.365 1.00 14.10 O ATOM 619 CB MET A 45 24.345 -13.065 -25.557 1.00 23.33 C ATOM 620 CG MET A 45 24.281 -14.574 -25.292 1.00 63.22 C ATOM 621 SD MET A 45 24.689 -15.550 -26.778 1.00 2.33 S ATOM 622 CE MET A 45 26.475 -15.362 -26.836 1.00 13.54 C ATOM 0 H MET A 45 22.026 -13.199 -24.737 1.00 11.00 H new ATOM 0 HA MET A 45 24.431 -12.464 -23.484 1.00 50.40 H new ATOM 0 HB2 MET A 45 23.746 -12.831 -26.437 1.00 23.33 H new ATOM 0 HB3 MET A 45 25.373 -12.786 -25.788 1.00 23.33 H new ATOM 0 HG2 MET A 45 24.973 -14.830 -24.489 1.00 63.22 H new ATOM 0 HG3 MET A 45 23.281 -14.839 -24.948 1.00 63.22 H new ATOM 0 HE1 MET A 45 26.870 -15.905 -27.694 1.00 13.54 H new ATOM 0 HE2 MET A 45 26.727 -14.305 -26.928 1.00 13.54 H new ATOM 0 HE3 MET A 45 26.913 -15.761 -25.921 1.00 13.54 H new ATOM 632 N ARG A 46 23.046 -10.118 -25.333 1.00 63.34 N ATOM 633 CA ARG A 46 23.125 -8.686 -25.674 1.00 1.24 C ATOM 634 C ARG A 46 22.962 -7.865 -24.400 1.00 31.34 C ATOM 635 O ARG A 46 23.631 -6.856 -24.228 1.00 72.35 O ATOM 636 CB ARG A 46 22.032 -8.279 -26.677 1.00 25.41 C ATOM 637 CG ARG A 46 21.923 -9.164 -27.929 1.00 74.13 C ATOM 638 CD ARG A 46 23.193 -9.201 -28.767 1.00 73.32 C ATOM 639 NE ARG A 46 23.006 -10.035 -29.975 1.00 12.11 N ATOM 640 CZ ARG A 46 23.955 -10.338 -30.852 1.00 30.14 C ATOM 641 NH1 ARG A 46 25.186 -9.912 -30.719 1.00 13.31 N ATOM 642 NH2 ARG A 46 23.660 -11.081 -31.883 1.00 33.15 N ATOM 0 H ARG A 46 22.182 -10.575 -25.625 1.00 63.34 H new ATOM 0 HA ARG A 46 24.094 -8.499 -26.136 1.00 1.24 H new ATOM 0 HB2 ARG A 46 21.071 -8.286 -26.163 1.00 25.41 H new ATOM 0 HB3 ARG A 46 22.217 -7.253 -26.993 1.00 25.41 H new ATOM 0 HG2 ARG A 46 21.670 -10.179 -27.624 1.00 74.13 H new ATOM 0 HG3 ARG A 46 21.101 -8.803 -28.547 1.00 74.13 H new ATOM 0 HD2 ARG A 46 23.470 -8.188 -29.059 1.00 73.32 H new ATOM 0 HD3 ARG A 46 24.015 -9.597 -28.171 1.00 73.32 H new ATOM 0 HE ARG A 46 22.072 -10.407 -30.148 1.00 12.11 H new ATOM 0 HH11 ARG A 46 25.440 -9.328 -29.922 1.00 13.31 H new ATOM 0 HH12 ARG A 46 25.891 -10.164 -31.412 1.00 13.31 H new ATOM 0 HH21 ARG A 46 22.707 -11.423 -32.009 1.00 33.15 H new ATOM 0 HH22 ARG A 46 24.382 -11.320 -32.563 1.00 33.15 H new ATOM 656 N LEU A 47 22.094 -8.326 -23.508 1.00 44.24 N ATOM 657 CA LEU A 47 21.856 -7.655 -22.230 1.00 2.12 C ATOM 658 C LEU A 47 23.145 -7.546 -21.437 1.00 44.22 C ATOM 659 O LEU A 47 23.457 -6.496 -20.902 1.00 2.11 O ATOM 660 CB LEU A 47 20.807 -8.428 -21.428 1.00 4.21 C ATOM 661 CG LEU A 47 20.468 -7.894 -20.039 1.00 21.24 C ATOM 662 CD1 LEU A 47 19.810 -6.540 -20.076 1.00 63.24 C ATOM 663 CD2 LEU A 47 19.551 -8.879 -19.359 1.00 74.41 C ATOM 0 H LEU A 47 21.537 -9.169 -23.646 1.00 44.24 H new ATOM 0 HA LEU A 47 21.487 -6.648 -22.426 1.00 2.12 H new ATOM 0 HB2 LEU A 47 19.888 -8.459 -22.013 1.00 4.21 H new ATOM 0 HB3 LEU A 47 21.152 -9.456 -21.321 1.00 4.21 H new ATOM 0 HG LEU A 47 21.402 -7.776 -19.490 1.00 21.24 H new ATOM 0 HD11 LEU A 47 19.593 -6.213 -19.059 1.00 63.24 H new ATOM 0 HD12 LEU A 47 20.479 -5.823 -20.553 1.00 63.24 H new ATOM 0 HD13 LEU A 47 18.881 -6.602 -20.643 1.00 63.24 H new ATOM 0 HD21 LEU A 47 19.298 -8.513 -18.364 1.00 74.41 H new ATOM 0 HD22 LEU A 47 18.640 -8.993 -19.946 1.00 74.41 H new ATOM 0 HD23 LEU A 47 20.051 -9.844 -19.275 1.00 74.41 H new ATOM 675 N ILE A 48 23.925 -8.618 -21.404 1.00 74.10 N ATOM 676 CA ILE A 48 25.188 -8.615 -20.663 1.00 74.13 C ATOM 677 C ILE A 48 26.148 -7.586 -21.255 1.00 51.31 C ATOM 678 O ILE A 48 26.809 -6.848 -20.521 1.00 13.23 O ATOM 679 CB ILE A 48 25.874 -10.023 -20.684 1.00 2.33 C ATOM 680 CG1 ILE A 48 24.880 -11.073 -20.135 1.00 43.21 C ATOM 681 CG2 ILE A 48 27.201 -9.999 -19.863 1.00 14.21 C ATOM 682 CD1 ILE A 48 25.426 -12.462 -20.043 1.00 54.21 C ATOM 0 H ILE A 48 23.712 -9.496 -21.876 1.00 74.10 H new ATOM 0 HA ILE A 48 24.955 -8.357 -19.630 1.00 74.13 H new ATOM 0 HB ILE A 48 26.137 -10.292 -21.707 1.00 2.33 H new ATOM 0 HG12 ILE A 48 24.552 -10.760 -19.144 1.00 43.21 H new ATOM 0 HG13 ILE A 48 23.997 -11.086 -20.774 1.00 43.21 H new ATOM 0 HG21 ILE A 48 27.663 -10.986 -19.889 1.00 14.21 H new ATOM 0 HG22 ILE A 48 27.883 -9.267 -20.296 1.00 14.21 H new ATOM 0 HG23 ILE A 48 26.985 -9.727 -18.830 1.00 14.21 H new ATOM 0 HD11 ILE A 48 24.659 -13.129 -19.648 1.00 54.21 H new ATOM 0 HD12 ILE A 48 25.727 -12.801 -21.034 1.00 54.21 H new ATOM 0 HD13 ILE A 48 26.291 -12.470 -19.379 1.00 54.21 H new ATOM 694 N ALA A 49 26.217 -7.525 -22.577 1.00 34.03 N ATOM 695 CA ALA A 49 27.104 -6.597 -23.239 1.00 21.40 C ATOM 696 C ALA A 49 26.757 -5.151 -22.892 1.00 14.34 C ATOM 697 O ALA A 49 27.634 -4.351 -22.552 1.00 33.40 O ATOM 698 CB ALA A 49 27.040 -6.819 -24.758 1.00 22.54 C ATOM 0 H ALA A 49 25.667 -8.109 -23.207 1.00 34.03 H new ATOM 0 HA ALA A 49 28.120 -6.781 -22.890 1.00 21.40 H new ATOM 0 HB1 ALA A 49 27.710 -6.118 -25.257 1.00 22.54 H new ATOM 0 HB2 ALA A 49 27.345 -7.840 -24.990 1.00 22.54 H new ATOM 0 HB3 ALA A 49 26.020 -6.657 -25.107 1.00 22.54 H new ATOM 704 N ARG A 50 25.472 -4.819 -22.943 1.00 44.03 N ATOM 705 CA ARG A 50 25.034 -3.460 -22.660 1.00 72.42 C ATOM 706 C ARG A 50 25.205 -3.134 -21.163 1.00 0.40 C ATOM 707 O ARG A 50 25.605 -2.045 -20.799 1.00 11.43 O ATOM 708 CB ARG A 50 23.560 -3.283 -23.047 1.00 21.24 C ATOM 709 CG ARG A 50 23.265 -3.351 -24.541 1.00 50.32 C ATOM 710 CD ARG A 50 23.704 -2.085 -25.329 1.00 64.11 C ATOM 711 NE ARG A 50 22.995 -0.861 -24.893 1.00 3.35 N ATOM 712 CZ ARG A 50 23.563 0.185 -24.291 1.00 61.22 C ATOM 713 NH1 ARG A 50 24.842 0.251 -24.041 1.00 34.15 N ATOM 714 NH2 ARG A 50 22.823 1.189 -23.922 1.00 4.54 N ATOM 0 H ARG A 50 24.721 -5.468 -23.176 1.00 44.03 H new ATOM 0 HA ARG A 50 25.650 -2.779 -23.248 1.00 72.42 H new ATOM 0 HB2 ARG A 50 22.974 -4.052 -22.543 1.00 21.24 H new ATOM 0 HB3 ARG A 50 23.215 -2.320 -22.669 1.00 21.24 H new ATOM 0 HG2 ARG A 50 23.769 -4.221 -24.961 1.00 50.32 H new ATOM 0 HG3 ARG A 50 22.195 -3.503 -24.683 1.00 50.32 H new ATOM 0 HD2 ARG A 50 24.777 -1.941 -25.206 1.00 64.11 H new ATOM 0 HD3 ARG A 50 23.524 -2.244 -26.392 1.00 64.11 H new ATOM 0 HE ARG A 50 21.991 -0.814 -25.067 1.00 3.35 H new ATOM 0 HH11 ARG A 50 25.454 -0.520 -24.309 1.00 34.15 H new ATOM 0 HH12 ARG A 50 25.229 1.073 -23.578 1.00 34.15 H new ATOM 0 HH21 ARG A 50 21.818 1.172 -24.094 1.00 4.54 H new ATOM 0 HH22 ARG A 50 23.248 1.993 -23.461 1.00 4.54 H new ATOM 728 N ILE A 51 24.961 -4.126 -20.308 1.00 4.14 N ATOM 729 CA ILE A 51 25.193 -3.970 -18.868 1.00 75.10 C ATOM 730 C ILE A 51 26.667 -3.633 -18.631 1.00 21.20 C ATOM 731 O ILE A 51 26.977 -2.788 -17.805 1.00 51.45 O ATOM 732 CB ILE A 51 24.770 -5.266 -18.074 1.00 74.32 C ATOM 733 CG1 ILE A 51 23.245 -5.282 -17.859 1.00 14.21 C ATOM 734 CG2 ILE A 51 25.484 -5.341 -16.698 1.00 62.44 C ATOM 735 CD1 ILE A 51 22.679 -6.586 -17.266 1.00 64.11 C ATOM 0 H ILE A 51 24.605 -5.042 -20.582 1.00 4.14 H new ATOM 0 HA ILE A 51 24.574 -3.154 -18.495 1.00 75.10 H new ATOM 0 HB ILE A 51 25.067 -6.131 -18.667 1.00 74.32 H new ATOM 0 HG12 ILE A 51 22.979 -4.456 -17.199 1.00 14.21 H new ATOM 0 HG13 ILE A 51 22.757 -5.095 -18.816 1.00 14.21 H new ATOM 0 HG21 ILE A 51 25.172 -6.245 -16.175 1.00 62.44 H new ATOM 0 HG22 ILE A 51 26.563 -5.363 -16.849 1.00 62.44 H new ATOM 0 HG23 ILE A 51 25.219 -4.467 -16.102 1.00 62.44 H new ATOM 0 HD11 ILE A 51 21.599 -6.496 -17.154 1.00 64.11 H new ATOM 0 HD12 ILE A 51 22.906 -7.418 -17.933 1.00 64.11 H new ATOM 0 HD13 ILE A 51 23.131 -6.769 -16.291 1.00 64.11 H new ATOM 747 N ARG A 52 27.578 -4.260 -19.360 1.00 0.30 N ATOM 748 CA ARG A 52 29.010 -3.994 -19.165 1.00 12.22 C ATOM 749 C ARG A 52 29.349 -2.558 -19.535 1.00 22.54 C ATOM 750 O ARG A 52 30.246 -1.963 -18.954 1.00 3.10 O ATOM 751 CB ARG A 52 29.856 -4.980 -19.984 1.00 42.33 C ATOM 752 CG ARG A 52 31.218 -5.320 -19.328 1.00 35.34 C ATOM 753 CD ARG A 52 32.353 -4.356 -19.691 1.00 4.01 C ATOM 754 NE ARG A 52 32.614 -4.286 -21.139 1.00 23.41 N ATOM 755 CZ ARG A 52 32.440 -3.217 -21.912 1.00 53.15 C ATOM 756 NH1 ARG A 52 31.982 -2.077 -21.454 1.00 23.44 N ATOM 757 NH2 ARG A 52 32.731 -3.294 -23.183 1.00 53.21 N ATOM 0 H ARG A 52 27.365 -4.947 -20.083 1.00 0.30 H new ATOM 0 HA ARG A 52 29.243 -4.134 -18.110 1.00 12.22 H new ATOM 0 HB2 ARG A 52 29.290 -5.901 -20.126 1.00 42.33 H new ATOM 0 HB3 ARG A 52 30.033 -4.559 -20.974 1.00 42.33 H new ATOM 0 HG2 ARG A 52 31.095 -5.326 -18.245 1.00 35.34 H new ATOM 0 HG3 ARG A 52 31.507 -6.329 -19.621 1.00 35.34 H new ATOM 0 HD2 ARG A 52 32.106 -3.360 -19.324 1.00 4.01 H new ATOM 0 HD3 ARG A 52 33.263 -4.668 -19.179 1.00 4.01 H new ATOM 0 HE ARG A 52 32.959 -5.133 -21.590 1.00 23.41 H new ATOM 0 HH11 ARG A 52 31.743 -1.983 -20.467 1.00 23.44 H new ATOM 0 HH12 ARG A 52 31.865 -1.284 -22.085 1.00 23.44 H new ATOM 0 HH21 ARG A 52 33.087 -4.167 -23.573 1.00 53.21 H new ATOM 0 HH22 ARG A 52 32.602 -2.481 -23.786 1.00 53.21 H new ATOM 771 N GLU A 53 28.642 -1.996 -20.496 1.00 33.54 N ATOM 772 CA GLU A 53 28.883 -0.613 -20.900 1.00 42.45 C ATOM 773 C GLU A 53 28.320 0.385 -19.887 1.00 72.32 C ATOM 774 O GLU A 53 28.977 1.369 -19.554 1.00 11.12 O ATOM 775 CB GLU A 53 28.261 -0.356 -22.273 1.00 42.11 C ATOM 776 CG GLU A 53 28.927 -1.130 -23.398 1.00 72.33 C ATOM 777 CD GLU A 53 28.156 -0.991 -24.706 1.00 50.25 C ATOM 778 OE1 GLU A 53 27.022 -1.529 -24.790 1.00 14.21 O ATOM 779 OE2 GLU A 53 28.664 -0.344 -25.633 1.00 54.44 O ATOM 0 H GLU A 53 27.899 -2.467 -21.012 1.00 33.54 H new ATOM 0 HA GLU A 53 29.962 -0.468 -20.947 1.00 42.45 H new ATOM 0 HB2 GLU A 53 27.204 -0.619 -22.239 1.00 42.11 H new ATOM 0 HB3 GLU A 53 28.317 0.710 -22.494 1.00 42.11 H new ATOM 0 HG2 GLU A 53 29.946 -0.769 -23.535 1.00 72.33 H new ATOM 0 HG3 GLU A 53 28.996 -2.183 -23.125 1.00 72.33 H new ATOM 786 N GLU A 54 27.092 0.185 -19.483 1.00 63.51 N ATOM 787 CA GLU A 54 26.387 1.141 -18.609 1.00 4.23 C ATOM 788 C GLU A 54 26.670 1.003 -17.107 1.00 1.14 C ATOM 789 O GLU A 54 26.615 1.974 -16.371 1.00 60.13 O ATOM 790 CB GLU A 54 24.872 1.022 -18.860 1.00 70.34 C ATOM 791 CG GLU A 54 24.393 1.109 -20.301 1.00 54.00 C ATOM 792 CD GLU A 54 24.678 2.436 -20.991 1.00 34.13 C ATOM 793 OE1 GLU A 54 24.678 3.481 -20.317 1.00 51.23 O ATOM 794 OE2 GLU A 54 24.825 2.436 -22.237 1.00 60.10 O ATOM 0 H GLU A 54 26.539 -0.633 -19.738 1.00 63.51 H new ATOM 0 HA GLU A 54 26.774 2.124 -18.878 1.00 4.23 H new ATOM 0 HB2 GLU A 54 24.536 0.069 -18.450 1.00 70.34 H new ATOM 0 HB3 GLU A 54 24.374 1.807 -18.291 1.00 70.34 H new ATOM 0 HG2 GLU A 54 24.863 0.310 -20.874 1.00 54.00 H new ATOM 0 HG3 GLU A 54 23.318 0.928 -20.323 1.00 54.00 H new ATOM 801 N LEU A 55 26.924 -0.218 -16.665 1.00 22.13 N ATOM 802 CA LEU A 55 27.139 -0.502 -15.248 1.00 4.45 C ATOM 803 C LEU A 55 28.600 -0.900 -14.928 1.00 33.53 C ATOM 804 O LEU A 55 29.022 -0.880 -13.772 1.00 13.23 O ATOM 805 CB LEU A 55 26.215 -1.627 -14.764 1.00 15.23 C ATOM 806 CG LEU A 55 24.703 -1.357 -14.627 1.00 22.53 C ATOM 807 CD1 LEU A 55 23.983 -1.132 -15.929 1.00 24.41 C ATOM 808 CD2 LEU A 55 24.039 -2.559 -13.922 1.00 41.12 C ATOM 0 H LEU A 55 26.987 -1.037 -17.270 1.00 22.13 H new ATOM 0 HA LEU A 55 26.912 0.427 -14.726 1.00 4.45 H new ATOM 0 HB2 LEU A 55 26.337 -2.467 -15.447 1.00 15.23 H new ATOM 0 HB3 LEU A 55 26.579 -1.953 -13.790 1.00 15.23 H new ATOM 0 HG LEU A 55 24.620 -0.433 -14.055 1.00 22.53 H new ATOM 0 HD11 LEU A 55 22.926 -0.950 -15.734 1.00 24.41 H new ATOM 0 HD12 LEU A 55 24.412 -0.268 -16.437 1.00 24.41 H new ATOM 0 HD13 LEU A 55 24.089 -2.014 -16.560 1.00 24.41 H new ATOM 0 HD21 LEU A 55 22.969 -2.376 -13.821 1.00 41.12 H new ATOM 0 HD22 LEU A 55 24.199 -3.461 -14.513 1.00 41.12 H new ATOM 0 HD23 LEU A 55 24.480 -2.690 -12.934 1.00 41.12 H new ATOM 820 N GLY A 56 29.365 -1.248 -15.957 1.00 51.31 N ATOM 821 CA GLY A 56 30.778 -1.563 -15.773 1.00 13.12 C ATOM 822 C GLY A 56 31.038 -2.890 -15.084 1.00 75.30 C ATOM 823 O GLY A 56 32.054 -3.033 -14.401 1.00 34.23 O ATOM 0 H GLY A 56 29.035 -1.319 -16.919 1.00 51.31 H new ATOM 0 HA2 GLY A 56 31.266 -1.571 -16.748 1.00 13.12 H new ATOM 0 HA3 GLY A 56 31.243 -0.767 -15.191 1.00 13.12 H new ATOM 827 N VAL A 57 30.139 -3.851 -15.235 1.00 4.55 N ATOM 828 CA VAL A 57 30.252 -5.139 -14.542 1.00 44.54 C ATOM 829 C VAL A 57 30.070 -6.290 -15.533 1.00 3.41 C ATOM 830 O VAL A 57 29.232 -6.237 -16.432 1.00 2.20 O ATOM 831 CB VAL A 57 29.216 -5.223 -13.362 1.00 40.44 C ATOM 832 CG1 VAL A 57 27.774 -5.121 -13.879 1.00 52.12 C ATOM 833 CG2 VAL A 57 29.413 -6.500 -12.538 1.00 60.10 C ATOM 0 H VAL A 57 29.317 -3.769 -15.833 1.00 4.55 H new ATOM 0 HA VAL A 57 31.249 -5.223 -14.110 1.00 44.54 H new ATOM 0 HB VAL A 57 29.397 -4.371 -12.706 1.00 40.44 H new ATOM 0 HG11 VAL A 57 27.081 -5.182 -13.040 1.00 52.12 H new ATOM 0 HG12 VAL A 57 27.638 -4.169 -14.393 1.00 52.12 H new ATOM 0 HG13 VAL A 57 27.577 -5.939 -14.572 1.00 52.12 H new ATOM 0 HG21 VAL A 57 28.682 -6.528 -11.730 1.00 60.10 H new ATOM 0 HG22 VAL A 57 29.279 -7.371 -13.179 1.00 60.10 H new ATOM 0 HG23 VAL A 57 30.419 -6.510 -12.118 1.00 60.10 H new ATOM 843 N ASP A 58 30.883 -7.319 -15.366 1.00 32.02 N ATOM 844 CA ASP A 58 30.855 -8.508 -16.214 1.00 60.23 C ATOM 845 C ASP A 58 29.994 -9.607 -15.571 1.00 71.32 C ATOM 846 O ASP A 58 30.488 -10.494 -14.889 1.00 71.21 O ATOM 847 CB ASP A 58 32.298 -9.008 -16.472 1.00 44.24 C ATOM 848 CG ASP A 58 33.101 -9.246 -15.168 1.00 1.14 C ATOM 849 OD1 ASP A 58 33.189 -8.318 -14.314 1.00 21.33 O ATOM 850 OD2 ASP A 58 33.724 -10.321 -15.060 1.00 11.13 O ATOM 0 H ASP A 58 31.590 -7.357 -14.632 1.00 32.02 H new ATOM 0 HA ASP A 58 30.405 -8.250 -17.173 1.00 60.23 H new ATOM 0 HB2 ASP A 58 32.258 -9.936 -17.042 1.00 44.24 H new ATOM 0 HB3 ASP A 58 32.824 -8.279 -17.088 1.00 44.24 H new ATOM 855 N LEU A 59 28.687 -9.537 -15.793 1.00 62.13 N ATOM 856 CA LEU A 59 27.761 -10.518 -15.215 1.00 72.54 C ATOM 857 C LEU A 59 27.788 -11.832 -16.018 1.00 72.24 C ATOM 858 O LEU A 59 27.514 -11.836 -17.216 1.00 63.55 O ATOM 859 CB LEU A 59 26.333 -9.958 -15.221 1.00 10.31 C ATOM 860 CG LEU A 59 25.276 -10.843 -14.528 1.00 73.52 C ATOM 861 CD1 LEU A 59 25.380 -10.749 -13.008 1.00 45.30 C ATOM 862 CD2 LEU A 59 23.882 -10.410 -14.978 1.00 24.34 C ATOM 0 H LEU A 59 28.242 -8.819 -16.364 1.00 62.13 H new ATOM 0 HA LEU A 59 28.076 -10.719 -14.191 1.00 72.54 H new ATOM 0 HB2 LEU A 59 26.341 -8.982 -14.736 1.00 10.31 H new ATOM 0 HB3 LEU A 59 26.027 -9.797 -16.255 1.00 10.31 H new ATOM 0 HG LEU A 59 25.456 -11.880 -14.812 1.00 73.52 H new ATOM 0 HD11 LEU A 59 24.621 -11.384 -12.551 1.00 45.30 H new ATOM 0 HD12 LEU A 59 26.369 -11.079 -12.690 1.00 45.30 H new ATOM 0 HD13 LEU A 59 25.224 -9.716 -12.696 1.00 45.30 H new ATOM 0 HD21 LEU A 59 23.132 -11.033 -14.490 1.00 24.34 H new ATOM 0 HD22 LEU A 59 23.720 -9.367 -14.706 1.00 24.34 H new ATOM 0 HD23 LEU A 59 23.798 -10.520 -16.059 1.00 24.34 H new ATOM 874 N PRO A 60 28.074 -12.976 -15.370 1.00 43.43 N ATOM 875 CA PRO A 60 28.024 -14.205 -16.172 1.00 41.34 C ATOM 876 C PRO A 60 26.603 -14.671 -16.504 1.00 12.44 C ATOM 877 O PRO A 60 25.660 -14.465 -15.733 1.00 74.51 O ATOM 878 CB PRO A 60 28.732 -15.223 -15.277 1.00 12.22 C ATOM 879 CG PRO A 60 28.428 -14.762 -13.909 1.00 11.21 C ATOM 880 CD PRO A 60 28.457 -13.259 -13.975 1.00 13.42 C ATOM 0 HA PRO A 60 28.484 -14.063 -17.150 1.00 41.34 H new ATOM 0 HB2 PRO A 60 28.362 -16.233 -15.450 1.00 12.22 H new ATOM 0 HB3 PRO A 60 29.806 -15.241 -15.464 1.00 12.22 H new ATOM 0 HG2 PRO A 60 27.453 -15.122 -13.581 1.00 11.21 H new ATOM 0 HG3 PRO A 60 29.162 -15.138 -13.196 1.00 11.21 H new ATOM 0 HD2 PRO A 60 27.759 -12.811 -13.267 1.00 13.42 H new ATOM 0 HD3 PRO A 60 29.446 -12.865 -13.741 1.00 13.42 H new ATOM 888 N ILE A 61 26.466 -15.365 -17.622 1.00 72.44 N ATOM 889 CA ILE A 61 25.161 -15.873 -18.091 1.00 45.03 C ATOM 890 C ILE A 61 24.503 -16.773 -17.030 1.00 43.11 C ATOM 891 O ILE A 61 23.292 -16.766 -16.840 1.00 22.41 O ATOM 892 CB ILE A 61 25.332 -16.710 -19.421 1.00 33.21 C ATOM 893 CG1 ILE A 61 26.045 -15.878 -20.506 1.00 71.13 C ATOM 894 CG2 ILE A 61 23.947 -17.178 -19.961 1.00 63.13 C ATOM 895 CD1 ILE A 61 26.378 -16.650 -21.799 1.00 31.02 C ATOM 0 H ILE A 61 27.246 -15.598 -18.237 1.00 72.44 H new ATOM 0 HA ILE A 61 24.526 -15.007 -18.277 1.00 45.03 H new ATOM 0 HB ILE A 61 25.939 -17.584 -19.184 1.00 33.21 H new ATOM 0 HG12 ILE A 61 25.417 -15.025 -20.761 1.00 71.13 H new ATOM 0 HG13 ILE A 61 26.970 -15.480 -20.089 1.00 71.13 H new ATOM 0 HG21 ILE A 61 24.089 -17.752 -20.877 1.00 63.13 H new ATOM 0 HG22 ILE A 61 23.457 -17.802 -19.214 1.00 63.13 H new ATOM 0 HG23 ILE A 61 23.325 -16.308 -20.171 1.00 63.13 H new ATOM 0 HD11 ILE A 61 26.877 -15.984 -22.502 1.00 31.02 H new ATOM 0 HD12 ILE A 61 27.035 -17.487 -21.564 1.00 31.02 H new ATOM 0 HD13 ILE A 61 25.457 -17.025 -22.246 1.00 31.02 H new ATOM 907 N ARG A 62 25.316 -17.535 -16.310 1.00 0.52 N ATOM 908 CA ARG A 62 24.784 -18.455 -15.297 1.00 50.32 C ATOM 909 C ARG A 62 24.091 -17.748 -14.149 1.00 3.01 C ATOM 910 O ARG A 62 23.171 -18.303 -13.580 1.00 60.34 O ATOM 911 CB ARG A 62 25.905 -19.347 -14.734 1.00 35.52 C ATOM 912 CG ARG A 62 26.547 -20.316 -15.761 1.00 51.23 C ATOM 913 CD ARG A 62 25.506 -21.267 -16.385 1.00 34.35 C ATOM 914 NE ARG A 62 24.769 -22.032 -15.360 1.00 12.04 N ATOM 915 CZ ARG A 62 23.726 -22.820 -15.598 1.00 65.21 C ATOM 916 NH1 ARG A 62 23.244 -22.990 -16.807 1.00 22.43 N ATOM 917 NH2 ARG A 62 23.157 -23.453 -14.614 1.00 53.34 N ATOM 0 H ARG A 62 26.332 -17.540 -16.401 1.00 0.52 H new ATOM 0 HA ARG A 62 24.036 -19.061 -15.808 1.00 50.32 H new ATOM 0 HB2 ARG A 62 26.686 -18.708 -14.322 1.00 35.52 H new ATOM 0 HB3 ARG A 62 25.503 -19.932 -13.907 1.00 35.52 H new ATOM 0 HG2 ARG A 62 27.031 -19.740 -16.550 1.00 51.23 H new ATOM 0 HG3 ARG A 62 27.325 -20.901 -15.271 1.00 51.23 H new ATOM 0 HD2 ARG A 62 24.801 -20.690 -16.983 1.00 34.35 H new ATOM 0 HD3 ARG A 62 26.007 -21.958 -17.062 1.00 34.35 H new ATOM 0 HE ARG A 62 25.085 -21.949 -14.394 1.00 12.04 H new ATOM 0 HH11 ARG A 62 23.672 -22.510 -17.599 1.00 22.43 H new ATOM 0 HH12 ARG A 62 22.442 -23.602 -16.955 1.00 22.43 H new ATOM 0 HH21 ARG A 62 23.512 -23.343 -13.664 1.00 53.34 H new ATOM 0 HH22 ARG A 62 22.356 -24.059 -14.793 1.00 53.34 H new ATOM 931 N GLN A 63 24.520 -16.546 -13.813 1.00 54.41 N ATOM 932 CA GLN A 63 23.873 -15.807 -12.731 1.00 23.22 C ATOM 933 C GLN A 63 22.540 -15.257 -13.192 1.00 21.35 C ATOM 934 O GLN A 63 21.600 -15.178 -12.415 1.00 3.31 O ATOM 935 CB GLN A 63 24.737 -14.678 -12.194 1.00 63.25 C ATOM 936 CG GLN A 63 25.577 -15.097 -10.998 1.00 54.32 C ATOM 937 CD GLN A 63 26.268 -13.920 -10.339 1.00 61.30 C ATOM 938 OE1 GLN A 63 26.981 -13.172 -10.986 1.00 71.54 O ATOM 939 NE2 GLN A 63 26.096 -13.779 -9.062 1.00 2.34 N ATOM 0 H GLN A 63 25.299 -16.063 -14.260 1.00 54.41 H new ATOM 0 HA GLN A 63 23.719 -16.514 -11.916 1.00 23.22 H new ATOM 0 HB2 GLN A 63 25.394 -14.321 -12.987 1.00 63.25 H new ATOM 0 HB3 GLN A 63 24.098 -13.842 -11.909 1.00 63.25 H new ATOM 0 HG2 GLN A 63 24.941 -15.597 -10.268 1.00 54.32 H new ATOM 0 HG3 GLN A 63 26.325 -15.822 -11.319 1.00 54.32 H new ATOM 0 HE21 GLN A 63 25.491 -14.425 -8.554 1.00 2.34 H new ATOM 0 HE22 GLN A 63 26.565 -13.022 -8.565 1.00 2.34 H new ATOM 948 N LEU A 64 22.443 -14.934 -14.470 1.00 64.55 N ATOM 949 CA LEU A 64 21.194 -14.438 -15.039 1.00 31.12 C ATOM 950 C LEU A 64 20.109 -15.500 -14.981 1.00 23.12 C ATOM 951 O LEU A 64 18.967 -15.200 -14.738 1.00 50.52 O ATOM 952 CB LEU A 64 21.421 -13.981 -16.483 1.00 32.11 C ATOM 953 CG LEU A 64 21.081 -12.505 -16.760 1.00 3.34 C ATOM 954 CD1 LEU A 64 21.644 -12.112 -18.131 1.00 44.45 C ATOM 955 CD2 LEU A 64 19.576 -12.242 -16.720 1.00 32.32 C ATOM 0 H LEU A 64 23.212 -15.005 -15.136 1.00 64.55 H new ATOM 0 HA LEU A 64 20.860 -13.586 -14.447 1.00 31.12 H new ATOM 0 HB2 LEU A 64 22.466 -14.152 -16.742 1.00 32.11 H new ATOM 0 HB3 LEU A 64 20.822 -14.607 -17.145 1.00 32.11 H new ATOM 0 HG LEU A 64 21.534 -11.900 -15.975 1.00 3.34 H new ATOM 0 HD11 LEU A 64 21.408 -11.068 -18.336 1.00 44.45 H new ATOM 0 HD12 LEU A 64 22.726 -12.246 -18.132 1.00 44.45 H new ATOM 0 HD13 LEU A 64 21.199 -12.742 -18.901 1.00 44.45 H new ATOM 0 HD21 LEU A 64 19.385 -11.188 -16.921 1.00 32.32 H new ATOM 0 HD22 LEU A 64 19.080 -12.851 -17.476 1.00 32.32 H new ATOM 0 HD23 LEU A 64 19.188 -12.499 -15.735 1.00 32.32 H new ATOM 967 N PHE A 65 20.481 -16.762 -15.145 1.00 71.43 N ATOM 968 CA PHE A 65 19.509 -17.854 -15.037 1.00 72.31 C ATOM 969 C PHE A 65 19.115 -18.144 -13.592 1.00 72.40 C ATOM 970 O PHE A 65 18.059 -18.711 -13.347 1.00 53.55 O ATOM 971 CB PHE A 65 20.061 -19.129 -15.674 1.00 55.12 C ATOM 972 CG PHE A 65 20.183 -19.067 -17.177 1.00 72.14 C ATOM 973 CD1 PHE A 65 19.137 -18.549 -17.974 1.00 1.31 C ATOM 974 CD2 PHE A 65 21.338 -19.558 -17.812 1.00 23.23 C ATOM 975 CE1 PHE A 65 19.247 -18.509 -19.387 1.00 42.24 C ATOM 976 CE2 PHE A 65 21.453 -19.531 -19.235 1.00 1.15 C ATOM 977 CZ PHE A 65 20.410 -18.997 -20.016 1.00 42.55 C ATOM 0 H PHE A 65 21.435 -17.058 -15.351 1.00 71.43 H new ATOM 0 HA PHE A 65 18.616 -17.528 -15.570 1.00 72.31 H new ATOM 0 HB2 PHE A 65 21.043 -19.338 -15.249 1.00 55.12 H new ATOM 0 HB3 PHE A 65 19.414 -19.965 -15.407 1.00 55.12 H new ATOM 0 HD1 PHE A 65 18.240 -18.178 -17.500 1.00 1.31 H new ATOM 0 HD2 PHE A 65 22.146 -19.959 -17.218 1.00 23.23 H new ATOM 0 HE1 PHE A 65 18.440 -18.105 -19.981 1.00 42.24 H new ATOM 0 HE2 PHE A 65 22.340 -19.920 -19.712 1.00 1.15 H new ATOM 0 HZ PHE A 65 20.501 -18.962 -21.092 1.00 42.55 H new ATOM 987 N SER A 66 19.948 -17.752 -12.642 1.00 31.34 N ATOM 988 CA SER A 66 19.632 -17.940 -11.222 1.00 55.55 C ATOM 989 C SER A 66 18.853 -16.742 -10.690 1.00 41.32 C ATOM 990 O SER A 66 18.330 -16.763 -9.582 1.00 70.42 O ATOM 991 CB SER A 66 20.921 -18.081 -10.401 1.00 3.42 C ATOM 992 OG SER A 66 21.706 -19.169 -10.879 1.00 70.42 O ATOM 0 H SER A 66 20.846 -17.303 -12.820 1.00 31.34 H new ATOM 0 HA SER A 66 19.032 -18.845 -11.129 1.00 55.55 H new ATOM 0 HB2 SER A 66 21.497 -17.158 -10.458 1.00 3.42 H new ATOM 0 HB3 SER A 66 20.674 -18.238 -9.351 1.00 3.42 H new ATOM 0 HG SER A 66 22.156 -18.908 -11.709 1.00 70.42 H new ATOM 998 N SER A 67 18.831 -15.679 -11.477 1.00 51.32 N ATOM 999 CA SER A 67 18.183 -14.419 -11.099 1.00 61.32 C ATOM 1000 C SER A 67 17.684 -13.692 -12.348 1.00 44.14 C ATOM 1001 O SER A 67 18.277 -12.709 -12.774 1.00 63.31 O ATOM 1002 CB SER A 67 19.185 -13.544 -10.358 1.00 3.02 C ATOM 1003 OG SER A 67 19.647 -14.223 -9.193 1.00 35.23 O ATOM 0 H SER A 67 19.262 -15.658 -12.401 1.00 51.32 H new ATOM 0 HA SER A 67 17.332 -14.629 -10.452 1.00 61.32 H new ATOM 0 HB2 SER A 67 20.026 -13.306 -11.009 1.00 3.02 H new ATOM 0 HB3 SER A 67 18.720 -12.598 -10.079 1.00 3.02 H new ATOM 0 HG SER A 67 20.293 -13.658 -8.720 1.00 35.23 H new ATOM 1009 N PRO A 68 16.623 -14.210 -12.989 1.00 35.43 N ATOM 1010 CA PRO A 68 16.205 -13.622 -14.274 1.00 62.42 C ATOM 1011 C PRO A 68 15.435 -12.309 -14.182 1.00 51.25 C ATOM 1012 O PRO A 68 15.241 -11.645 -15.198 1.00 72.45 O ATOM 1013 CB PRO A 68 15.340 -14.719 -14.876 1.00 25.01 C ATOM 1014 CG PRO A 68 14.708 -15.360 -13.711 1.00 50.32 C ATOM 1015 CD PRO A 68 15.799 -15.381 -12.654 1.00 43.33 C ATOM 0 HA PRO A 68 17.075 -13.337 -14.865 1.00 62.42 H new ATOM 0 HB2 PRO A 68 14.595 -14.310 -15.558 1.00 25.01 H new ATOM 0 HB3 PRO A 68 15.938 -15.430 -15.446 1.00 25.01 H new ATOM 0 HG2 PRO A 68 13.837 -14.799 -13.372 1.00 50.32 H new ATOM 0 HG3 PRO A 68 14.365 -16.367 -13.949 1.00 50.32 H new ATOM 0 HD2 PRO A 68 15.385 -15.306 -11.648 1.00 43.33 H new ATOM 0 HD3 PRO A 68 16.378 -16.304 -12.693 1.00 43.33 H new ATOM 1023 N THR A 69 14.990 -11.937 -12.993 1.00 14.23 N ATOM 1024 CA THR A 69 14.254 -10.703 -12.786 1.00 70.50 C ATOM 1025 C THR A 69 15.215 -9.559 -12.483 1.00 21.53 C ATOM 1026 O THR A 69 16.274 -9.780 -11.884 1.00 24.34 O ATOM 1027 CB THR A 69 13.308 -10.826 -11.588 1.00 54.25 C ATOM 1028 OG1 THR A 69 14.051 -11.096 -10.405 1.00 72.33 O ATOM 1029 CG2 THR A 69 12.309 -11.947 -11.766 1.00 52.11 C ATOM 0 H THR A 69 15.130 -12.484 -12.143 1.00 14.23 H new ATOM 0 HA THR A 69 13.689 -10.507 -13.697 1.00 70.50 H new ATOM 0 HB THR A 69 12.774 -9.879 -11.512 1.00 54.25 H new ATOM 0 HG1 THR A 69 13.438 -11.171 -9.644 1.00 72.33 H new ATOM 0 HG21 THR A 69 11.659 -11.997 -10.893 1.00 52.11 H new ATOM 0 HG22 THR A 69 11.708 -11.761 -12.656 1.00 52.11 H new ATOM 0 HG23 THR A 69 12.839 -12.893 -11.878 1.00 52.11 H new ATOM 1037 N PRO A 70 14.883 -8.295 -12.868 1.00 11.44 N ATOM 1038 CA PRO A 70 15.816 -7.216 -12.513 1.00 42.22 C ATOM 1039 C PRO A 70 16.150 -7.142 -11.050 1.00 22.23 C ATOM 1040 O PRO A 70 17.273 -6.768 -10.693 1.00 15.32 O ATOM 1041 CB PRO A 70 15.044 -5.936 -12.941 1.00 74.25 C ATOM 1042 CG PRO A 70 14.151 -6.423 -14.008 1.00 42.41 C ATOM 1043 CD PRO A 70 13.734 -7.798 -13.623 1.00 54.25 C ATOM 0 HA PRO A 70 16.781 -7.363 -12.998 1.00 42.22 H new ATOM 0 HB2 PRO A 70 14.483 -5.507 -12.111 1.00 74.25 H new ATOM 0 HB3 PRO A 70 15.719 -5.161 -13.303 1.00 74.25 H new ATOM 0 HG2 PRO A 70 13.284 -5.771 -14.114 1.00 42.41 H new ATOM 0 HG3 PRO A 70 14.665 -6.429 -14.969 1.00 42.41 H new ATOM 0 HD2 PRO A 70 12.827 -7.789 -13.018 1.00 54.25 H new ATOM 0 HD3 PRO A 70 13.528 -8.416 -14.497 1.00 54.25 H new ATOM 1051 N ALA A 71 15.189 -7.364 -10.175 1.00 20.34 N ATOM 1052 CA ALA A 71 15.436 -7.263 -8.773 1.00 33.41 C ATOM 1053 C ALA A 71 16.485 -8.251 -8.299 1.00 35.00 C ATOM 1054 O ALA A 71 17.371 -7.917 -7.474 1.00 61.52 O ATOM 1055 CB ALA A 71 14.113 -7.492 -7.970 1.00 14.14 C ATOM 0 H ALA A 71 14.232 -7.615 -10.423 1.00 20.34 H new ATOM 0 HA ALA A 71 15.815 -6.257 -8.592 1.00 33.41 H new ATOM 0 HB1 ALA A 71 14.317 -7.412 -6.902 1.00 14.14 H new ATOM 0 HB2 ALA A 71 13.379 -6.739 -8.257 1.00 14.14 H new ATOM 0 HB3 ALA A 71 13.720 -8.485 -8.191 1.00 14.14 H new ATOM 1061 N GLY A 72 16.482 -9.423 -8.896 1.00 25.12 N ATOM 1062 CA GLY A 72 17.461 -10.452 -8.532 1.00 20.11 C ATOM 1063 C GLY A 72 18.853 -10.129 -9.017 1.00 10.33 C ATOM 1064 O GLY A 72 19.837 -10.365 -8.307 1.00 35.43 O ATOM 0 H GLY A 72 15.826 -9.696 -9.628 1.00 25.12 H new ATOM 0 HA2 GLY A 72 17.476 -10.566 -7.448 1.00 20.11 H new ATOM 0 HA3 GLY A 72 17.148 -11.409 -8.949 1.00 20.11 H new ATOM 1068 N VAL A 73 18.964 -9.578 -10.214 1.00 13.43 N ATOM 1069 CA VAL A 73 20.265 -9.239 -10.784 1.00 15.24 C ATOM 1070 C VAL A 73 20.928 -8.125 -9.945 1.00 41.43 C ATOM 1071 O VAL A 73 22.153 -8.092 -9.783 1.00 13.53 O ATOM 1072 CB VAL A 73 20.138 -8.770 -12.263 1.00 44.01 C ATOM 1073 CG1 VAL A 73 21.503 -8.418 -12.856 1.00 2.14 C ATOM 1074 CG2 VAL A 73 19.504 -9.875 -13.119 1.00 42.24 C ATOM 0 H VAL A 73 18.170 -9.354 -10.814 1.00 13.43 H new ATOM 0 HA VAL A 73 20.882 -10.137 -10.765 1.00 15.24 H new ATOM 0 HB VAL A 73 19.507 -7.881 -12.268 1.00 44.01 H new ATOM 0 HG11 VAL A 73 21.378 -8.095 -13.889 1.00 2.14 H new ATOM 0 HG12 VAL A 73 21.955 -7.614 -12.276 1.00 2.14 H new ATOM 0 HG13 VAL A 73 22.150 -9.295 -12.826 1.00 2.14 H new ATOM 0 HG21 VAL A 73 19.421 -9.534 -14.151 1.00 42.24 H new ATOM 0 HG22 VAL A 73 20.128 -10.768 -13.081 1.00 42.24 H new ATOM 0 HG23 VAL A 73 18.512 -10.110 -12.734 1.00 42.24 H new ATOM 1084 N ALA A 74 20.120 -7.231 -9.395 1.00 51.25 N ATOM 1085 CA ALA A 74 20.647 -6.097 -8.641 1.00 33.44 C ATOM 1086 C ALA A 74 21.550 -6.498 -7.465 1.00 43.32 C ATOM 1087 O ALA A 74 22.562 -5.831 -7.225 1.00 15.34 O ATOM 1088 CB ALA A 74 19.495 -5.215 -8.162 1.00 13.31 C ATOM 0 H ALA A 74 19.102 -7.266 -9.454 1.00 51.25 H new ATOM 0 HA ALA A 74 21.287 -5.538 -9.324 1.00 33.44 H new ATOM 0 HB1 ALA A 74 19.893 -4.370 -7.600 1.00 13.31 H new ATOM 0 HB2 ALA A 74 18.936 -4.847 -9.023 1.00 13.31 H new ATOM 0 HB3 ALA A 74 18.833 -5.797 -7.521 1.00 13.31 H new ATOM 1094 N ARG A 75 21.228 -7.568 -6.751 1.00 2.44 N ATOM 1095 CA ARG A 75 22.054 -7.953 -5.602 1.00 23.44 C ATOM 1096 C ARG A 75 23.398 -8.536 -6.019 1.00 13.22 C ATOM 1097 O ARG A 75 24.350 -8.520 -5.259 1.00 22.33 O ATOM 1098 CB ARG A 75 21.321 -8.906 -4.671 1.00 13.42 C ATOM 1099 CG ARG A 75 21.094 -10.302 -5.191 1.00 24.44 C ATOM 1100 CD ARG A 75 20.690 -11.256 -4.060 1.00 25.34 C ATOM 1101 NE ARG A 75 21.795 -11.471 -3.107 1.00 41.22 N ATOM 1102 CZ ARG A 75 21.676 -12.079 -1.929 1.00 14.03 C ATOM 1103 NH1 ARG A 75 20.544 -12.564 -1.508 1.00 65.32 N ATOM 1104 NH2 ARG A 75 22.714 -12.183 -1.161 1.00 70.00 N ATOM 0 H ARG A 75 20.427 -8.172 -6.934 1.00 2.44 H new ATOM 0 HA ARG A 75 22.255 -7.033 -5.054 1.00 23.44 H new ATOM 0 HB2 ARG A 75 21.883 -8.975 -3.740 1.00 13.42 H new ATOM 0 HB3 ARG A 75 20.352 -8.470 -4.427 1.00 13.42 H new ATOM 0 HG2 ARG A 75 20.315 -10.287 -5.953 1.00 24.44 H new ATOM 0 HG3 ARG A 75 22.002 -10.666 -5.671 1.00 24.44 H new ATOM 0 HD2 ARG A 75 19.828 -10.849 -3.532 1.00 25.34 H new ATOM 0 HD3 ARG A 75 20.383 -12.212 -4.483 1.00 25.34 H new ATOM 0 HE ARG A 75 22.719 -11.128 -3.370 1.00 41.22 H new ATOM 0 HH11 ARG A 75 19.708 -12.485 -2.087 1.00 65.32 H new ATOM 0 HH12 ARG A 75 20.493 -13.023 -0.599 1.00 65.32 H new ATOM 0 HH21 ARG A 75 23.611 -11.801 -1.461 1.00 70.00 H new ATOM 0 HH22 ARG A 75 22.634 -12.647 -0.256 1.00 70.00 H new