USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=8 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 21:sc= 0.569 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -103:sc= 0.359 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.799 K(o=-0.8,f=-0.11) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0856 USER MOD Single : A 41 SER OG : rot 180:sc= 0.12 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc=-0.00955 K(o=-0.0096,f=-2.7!) USER MOD Single : A 66 SER OG : rot 81:sc= 1.23 USER MOD Single : A 67 SER OG : rot -160:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.158 USER MOD ----------------------------------------------------------------- ATOM 127 N THR A 11 -7.884 0.600 -26.253 1.00 61.23 N ATOM 128 CA THR A 11 -8.374 1.957 -26.512 1.00 14.05 C ATOM 129 C THR A 11 -7.217 2.939 -26.399 1.00 20.43 C ATOM 130 O THR A 11 -7.109 3.824 -27.228 1.00 64.12 O ATOM 131 CB THR A 11 -9.498 2.333 -25.475 1.00 63.42 C ATOM 132 OG1 THR A 11 -10.218 1.146 -25.092 1.00 21.40 O ATOM 133 CG2 THR A 11 -10.457 3.307 -26.094 1.00 5.33 C ATOM 0 HA THR A 11 -8.795 2.003 -27.516 1.00 14.05 H new ATOM 0 HB THR A 11 -9.034 2.784 -24.598 1.00 63.42 H new ATOM 0 HG1 THR A 11 -9.670 0.356 -25.282 1.00 21.40 H new ATOM 0 HG21 THR A 11 -11.232 3.563 -25.372 1.00 5.33 H new ATOM 0 HG22 THR A 11 -9.921 4.210 -26.386 1.00 5.33 H new ATOM 0 HG23 THR A 11 -10.916 2.856 -26.974 1.00 5.33 H new ATOM 141 N GLU A 12 -6.355 2.805 -25.381 1.00 61.44 N ATOM 142 CA GLU A 12 -5.269 3.756 -25.160 1.00 33.04 C ATOM 143 C GLU A 12 -4.388 3.946 -26.385 1.00 64.34 C ATOM 144 O GLU A 12 -4.043 5.063 -26.726 1.00 2.32 O ATOM 145 CB GLU A 12 -4.382 3.261 -24.024 1.00 70.12 C ATOM 146 CG GLU A 12 -5.103 3.266 -22.661 1.00 72.12 C ATOM 147 CD GLU A 12 -4.195 2.741 -21.543 1.00 35.41 C ATOM 148 OE1 GLU A 12 -3.291 1.915 -21.828 1.00 2.52 O ATOM 149 OE2 GLU A 12 -4.526 3.036 -20.367 1.00 73.40 O ATOM 0 H GLU A 12 -6.393 2.046 -24.701 1.00 61.44 H new ATOM 0 HA GLU A 12 -5.738 4.711 -24.923 1.00 33.04 H new ATOM 0 HB2 GLU A 12 -4.043 2.249 -24.247 1.00 70.12 H new ATOM 0 HB3 GLU A 12 -3.493 3.889 -23.963 1.00 70.12 H new ATOM 0 HG2 GLU A 12 -5.426 4.279 -22.423 1.00 72.12 H new ATOM 0 HG3 GLU A 12 -6.001 2.651 -22.721 1.00 72.12 H new ATOM 156 N LYS A 13 -3.982 2.834 -27.014 1.00 43.52 N ATOM 157 CA LYS A 13 -3.011 2.910 -28.118 1.00 35.30 C ATOM 158 C LYS A 13 -3.567 3.558 -29.348 1.00 52.25 C ATOM 159 O LYS A 13 -2.810 4.231 -30.114 1.00 74.44 O ATOM 160 CB LYS A 13 -2.451 1.511 -28.414 1.00 1.11 C ATOM 161 CG LYS A 13 -3.466 0.487 -28.936 1.00 64.30 C ATOM 162 CD LYS A 13 -2.914 -0.899 -29.045 1.00 52.43 C ATOM 163 CE LYS A 13 -4.015 -1.804 -29.660 1.00 24.15 C ATOM 164 NZ LYS A 13 -3.624 -3.270 -29.733 1.00 63.11 N ATOM 0 H LYS A 13 -4.301 1.892 -26.786 1.00 43.52 H new ATOM 0 HA LYS A 13 -2.196 3.558 -27.795 1.00 35.30 H new ATOM 0 HB2 LYS A 13 -1.650 1.608 -29.147 1.00 1.11 H new ATOM 0 HB3 LYS A 13 -2.002 1.118 -27.501 1.00 1.11 H new ATOM 0 HG2 LYS A 13 -4.331 0.474 -28.273 1.00 64.30 H new ATOM 0 HG3 LYS A 13 -3.821 0.806 -29.916 1.00 64.30 H new ATOM 0 HD2 LYS A 13 -2.021 -0.906 -29.670 1.00 52.43 H new ATOM 0 HD3 LYS A 13 -2.619 -1.270 -28.064 1.00 52.43 H new ATOM 0 HE2 LYS A 13 -4.925 -1.708 -29.068 1.00 24.15 H new ATOM 0 HE3 LYS A 13 -4.248 -1.448 -30.664 1.00 24.15 H new ATOM 0 HZ1 LYS A 13 -4.403 -3.817 -30.153 1.00 63.11 H new ATOM 0 HZ2 LYS A 13 -2.772 -3.373 -30.321 1.00 63.11 H new ATOM 0 HZ3 LYS A 13 -3.429 -3.625 -28.775 1.00 63.11 H new ATOM 178 N VAL A 14 -4.907 3.502 -29.498 1.00 22.20 N ATOM 179 CA VAL A 14 -5.560 4.150 -30.646 1.00 62.02 C ATOM 180 C VAL A 14 -5.596 5.654 -30.357 1.00 42.04 C ATOM 181 O VAL A 14 -5.214 6.483 -31.158 1.00 33.51 O ATOM 182 CB VAL A 14 -7.018 3.587 -30.859 1.00 55.22 C ATOM 183 CG1 VAL A 14 -7.851 4.401 -31.874 1.00 15.43 C ATOM 184 CG2 VAL A 14 -6.928 2.134 -31.230 1.00 0.04 C ATOM 0 H VAL A 14 -5.541 3.027 -28.855 1.00 22.20 H new ATOM 0 HA VAL A 14 -5.006 3.947 -31.563 1.00 62.02 H new ATOM 0 HB VAL A 14 -7.562 3.689 -29.920 1.00 55.22 H new ATOM 0 HG11 VAL A 14 -8.842 3.957 -31.971 1.00 15.43 H new ATOM 0 HG12 VAL A 14 -7.946 5.429 -31.525 1.00 15.43 H new ATOM 0 HG13 VAL A 14 -7.353 4.392 -32.844 1.00 15.43 H new ATOM 0 HG21 VAL A 14 -7.931 1.734 -31.380 1.00 0.04 H new ATOM 0 HG22 VAL A 14 -6.354 2.028 -32.151 1.00 0.04 H new ATOM 0 HG23 VAL A 14 -6.434 1.584 -30.429 1.00 0.04 H new ATOM 194 N LEU A 15 -6.057 5.988 -29.161 1.00 45.33 N ATOM 195 CA LEU A 15 -6.237 7.393 -28.779 1.00 64.43 C ATOM 196 C LEU A 15 -4.891 8.103 -28.905 1.00 45.34 C ATOM 197 O LEU A 15 -4.817 9.195 -29.430 1.00 3.35 O ATOM 198 CB LEU A 15 -6.784 7.493 -27.335 1.00 55.34 C ATOM 199 CG LEU A 15 -8.232 7.036 -27.191 1.00 72.52 C ATOM 200 CD1 LEU A 15 -8.529 6.592 -25.695 1.00 62.54 C ATOM 201 CD2 LEU A 15 -9.248 8.157 -27.520 1.00 31.34 C ATOM 0 H LEU A 15 -6.314 5.316 -28.438 1.00 45.33 H new ATOM 0 HA LEU A 15 -6.963 7.870 -29.437 1.00 64.43 H new ATOM 0 HB2 LEU A 15 -6.156 6.893 -26.677 1.00 55.34 H new ATOM 0 HB3 LEU A 15 -6.704 8.526 -26.997 1.00 55.34 H new ATOM 0 HG LEU A 15 -8.350 6.212 -27.894 1.00 72.52 H new ATOM 0 HD11 LEU A 15 -9.567 6.269 -25.611 1.00 62.54 H new ATOM 0 HD12 LEU A 15 -7.869 5.768 -25.422 1.00 62.54 H new ATOM 0 HD13 LEU A 15 -8.355 7.434 -25.024 1.00 62.54 H new ATOM 0 HD21 LEU A 15 -10.262 7.775 -27.401 1.00 31.34 H new ATOM 0 HD22 LEU A 15 -9.095 8.997 -26.843 1.00 31.34 H new ATOM 0 HD23 LEU A 15 -9.104 8.489 -28.548 1.00 31.34 H new ATOM 213 N CYS A 16 -3.834 7.436 -28.444 1.00 1.12 N ATOM 214 CA CYS A 16 -2.480 7.989 -28.496 1.00 53.24 C ATOM 215 C CYS A 16 -2.030 8.296 -29.908 1.00 13.24 C ATOM 216 O CYS A 16 -1.536 9.382 -30.204 1.00 71.44 O ATOM 217 CB CYS A 16 -1.479 6.983 -27.920 1.00 43.11 C ATOM 218 SG CYS A 16 -0.728 7.512 -26.408 1.00 75.20 S ATOM 0 H CYS A 16 -3.889 6.506 -28.028 1.00 1.12 H new ATOM 0 HA CYS A 16 -2.509 8.912 -27.917 1.00 53.24 H new ATOM 0 HB2 CYS A 16 -1.988 6.034 -27.750 1.00 43.11 H new ATOM 0 HB3 CYS A 16 -0.698 6.798 -28.658 1.00 43.11 H new ATOM 0 HG CYS A 16 0.484 7.920 -26.645 1.00 75.20 H new ATOM 224 N ALA A 17 -2.236 7.358 -30.804 1.00 73.11 N ATOM 225 CA ALA A 17 -1.816 7.512 -32.204 1.00 14.11 C ATOM 226 C ALA A 17 -2.684 8.616 -32.847 1.00 45.44 C ATOM 227 O ALA A 17 -2.182 9.445 -33.557 1.00 42.51 O ATOM 228 CB ALA A 17 -1.993 6.139 -32.978 1.00 42.42 C ATOM 0 H ALA A 17 -2.694 6.470 -30.600 1.00 73.11 H new ATOM 0 HA ALA A 17 -0.764 7.792 -32.257 1.00 14.11 H new ATOM 0 HB1 ALA A 17 -1.679 6.263 -34.015 1.00 42.42 H new ATOM 0 HB2 ALA A 17 -1.381 5.372 -32.503 1.00 42.42 H new ATOM 0 HB3 ALA A 17 -3.040 5.837 -32.949 1.00 42.42 H new ATOM 234 N LEU A 18 -3.983 8.623 -32.603 1.00 10.44 N ATOM 235 CA LEU A 18 -4.850 9.684 -33.174 1.00 31.13 C ATOM 236 C LEU A 18 -4.449 11.089 -32.616 1.00 1.30 C ATOM 237 O LEU A 18 -4.632 12.103 -33.265 1.00 53.44 O ATOM 238 CB LEU A 18 -6.342 9.441 -32.803 1.00 62.44 C ATOM 239 CG LEU A 18 -6.995 8.187 -33.426 1.00 23.41 C ATOM 240 CD1 LEU A 18 -8.434 8.094 -32.902 1.00 2.22 C ATOM 241 CD2 LEU A 18 -6.989 8.320 -34.954 1.00 43.22 C ATOM 0 H LEU A 18 -4.468 7.932 -32.030 1.00 10.44 H new ATOM 0 HA LEU A 18 -4.720 9.654 -34.256 1.00 31.13 H new ATOM 0 HB2 LEU A 18 -6.419 9.367 -31.718 1.00 62.44 H new ATOM 0 HB3 LEU A 18 -6.919 10.315 -33.105 1.00 62.44 H new ATOM 0 HG LEU A 18 -6.445 7.286 -33.155 1.00 23.41 H new ATOM 0 HD11 LEU A 18 -8.920 7.216 -33.327 1.00 2.22 H new ATOM 0 HD12 LEU A 18 -8.421 8.011 -31.815 1.00 2.22 H new ATOM 0 HD13 LEU A 18 -8.985 8.989 -33.191 1.00 2.22 H new ATOM 0 HD21 LEU A 18 -7.449 7.437 -35.398 1.00 43.22 H new ATOM 0 HD22 LEU A 18 -7.552 9.207 -35.244 1.00 43.22 H new ATOM 0 HD23 LEU A 18 -5.962 8.410 -35.307 1.00 43.22 H new ATOM 253 N TYR A 19 -3.970 11.149 -31.384 1.00 63.42 N ATOM 254 CA TYR A 19 -3.512 12.411 -30.796 1.00 31.34 C ATOM 255 C TYR A 19 -2.380 12.878 -31.703 1.00 11.34 C ATOM 256 O TYR A 19 -2.336 14.025 -32.055 1.00 55.22 O ATOM 257 CB TYR A 19 -3.034 12.206 -29.372 1.00 51.23 C ATOM 258 CG TYR A 19 -3.991 12.562 -28.256 1.00 33.43 C ATOM 259 CD1 TYR A 19 -5.334 12.163 -28.303 1.00 24.45 C ATOM 260 CD2 TYR A 19 -3.530 13.250 -27.089 1.00 2.43 C ATOM 261 CE1 TYR A 19 -6.222 12.438 -27.222 1.00 33.31 C ATOM 262 CE2 TYR A 19 -4.432 13.535 -26.033 1.00 61.43 C ATOM 263 CZ TYR A 19 -5.749 13.111 -26.099 1.00 64.54 C ATOM 264 OH TYR A 19 -6.595 13.354 -25.048 1.00 23.40 O ATOM 0 H TYR A 19 -3.886 10.342 -30.766 1.00 63.42 H new ATOM 0 HA TYR A 19 -4.311 13.150 -30.735 1.00 31.34 H new ATOM 0 HB2 TYR A 19 -2.759 11.158 -29.257 1.00 51.23 H new ATOM 0 HB3 TYR A 19 -2.125 12.791 -29.235 1.00 51.23 H new ATOM 0 HD1 TYR A 19 -5.702 11.639 -29.172 1.00 24.45 H new ATOM 0 HD2 TYR A 19 -2.496 13.552 -27.013 1.00 2.43 H new ATOM 0 HE1 TYR A 19 -7.255 12.126 -27.274 1.00 33.31 H new ATOM 0 HE2 TYR A 19 -4.090 14.087 -25.170 1.00 61.43 H new ATOM 0 HH TYR A 19 -6.111 13.832 -24.342 1.00 23.40 H new ATOM 274 N ALA A 20 -1.471 11.973 -32.070 1.00 41.33 N ATOM 275 CA ALA A 20 -0.326 12.327 -32.909 1.00 64.32 C ATOM 276 C ALA A 20 -0.779 12.909 -34.248 1.00 50.41 C ATOM 277 O ALA A 20 -0.191 13.876 -34.707 1.00 10.22 O ATOM 278 CB ALA A 20 0.563 11.095 -33.139 1.00 15.14 C ATOM 0 H ALA A 20 -1.506 10.990 -31.799 1.00 41.33 H new ATOM 0 HA ALA A 20 0.251 13.091 -32.388 1.00 64.32 H new ATOM 0 HB1 ALA A 20 1.412 11.371 -33.765 1.00 15.14 H new ATOM 0 HB2 ALA A 20 0.924 10.723 -32.180 1.00 15.14 H new ATOM 0 HB3 ALA A 20 -0.016 10.316 -33.635 1.00 15.14 H new ATOM 284 N GLU A 21 -1.720 12.260 -34.893 1.00 32.40 N ATOM 285 CA GLU A 21 -2.164 12.635 -36.215 1.00 62.41 C ATOM 286 C GLU A 21 -2.797 14.032 -36.281 1.00 60.50 C ATOM 287 O GLU A 21 -2.748 14.758 -37.290 1.00 43.30 O ATOM 288 CB GLU A 21 -3.195 11.598 -36.662 1.00 15.53 C ATOM 289 CG GLU A 21 -2.615 10.251 -36.851 1.00 63.22 C ATOM 290 CD GLU A 21 -1.590 10.159 -37.989 1.00 64.33 C ATOM 291 OE1 GLU A 21 -1.832 10.781 -39.063 1.00 21.43 O ATOM 292 OE2 GLU A 21 -0.608 9.420 -37.845 1.00 24.04 O ATOM 0 H GLU A 21 -2.204 11.448 -34.510 1.00 32.40 H new ATOM 0 HA GLU A 21 -1.290 12.666 -36.866 1.00 62.41 H new ATOM 0 HB2 GLU A 21 -3.992 11.544 -35.921 1.00 15.53 H new ATOM 0 HB3 GLU A 21 -3.650 11.926 -37.596 1.00 15.53 H new ATOM 0 HG2 GLU A 21 -2.138 9.940 -35.922 1.00 63.22 H new ATOM 0 HG3 GLU A 21 -3.422 9.545 -37.047 1.00 63.22 H new ATOM 299 N ILE A 22 -3.488 14.362 -35.209 1.00 64.04 N ATOM 300 CA ILE A 22 -4.234 15.589 -35.134 1.00 54.02 C ATOM 301 C ILE A 22 -3.384 16.718 -34.628 1.00 31.13 C ATOM 302 O ILE A 22 -3.514 17.826 -35.158 1.00 31.41 O ATOM 303 CB ILE A 22 -5.465 15.332 -34.276 1.00 12.11 C ATOM 304 CG1 ILE A 22 -6.401 14.305 -34.934 1.00 53.22 C ATOM 305 CG2 ILE A 22 -6.286 16.680 -34.053 1.00 3.50 C ATOM 306 CD1 ILE A 22 -7.244 14.817 -36.108 1.00 73.31 C ATOM 0 H ILE A 22 -3.545 13.785 -34.370 1.00 64.04 H new ATOM 0 HA ILE A 22 -4.557 15.905 -36.126 1.00 54.02 H new ATOM 0 HB ILE A 22 -5.111 14.943 -33.321 1.00 12.11 H new ATOM 0 HG12 ILE A 22 -5.799 13.466 -35.284 1.00 53.22 H new ATOM 0 HG13 ILE A 22 -7.075 13.917 -34.171 1.00 53.22 H new ATOM 0 HG21 ILE A 22 -7.162 16.475 -33.437 1.00 3.50 H new ATOM 0 HG22 ILE A 22 -5.653 17.413 -33.552 1.00 3.50 H new ATOM 0 HG23 ILE A 22 -6.605 17.076 -35.017 1.00 3.50 H new ATOM 0 HD11 ILE A 22 -7.864 14.007 -36.491 1.00 73.31 H new ATOM 0 HD12 ILE A 22 -7.882 15.633 -35.769 1.00 73.31 H new ATOM 0 HD13 ILE A 22 -6.586 15.176 -36.899 1.00 73.31 H new ATOM 318 N LEU A 23 -2.560 16.456 -33.665 1.00 0.32 N ATOM 319 CA LEU A 23 -1.702 17.490 -33.054 1.00 20.44 C ATOM 320 C LEU A 23 -0.457 17.716 -33.911 1.00 41.01 C ATOM 321 O LEU A 23 0.161 18.800 -33.870 1.00 44.20 O ATOM 322 CB LEU A 23 -1.272 17.081 -31.653 1.00 64.35 C ATOM 323 CG LEU A 23 -2.399 17.047 -30.570 1.00 4.04 C ATOM 324 CD1 LEU A 23 -1.993 16.202 -29.421 1.00 42.12 C ATOM 325 CD2 LEU A 23 -2.782 18.459 -30.108 1.00 55.43 C ATOM 0 H LEU A 23 -2.443 15.527 -33.261 1.00 0.32 H new ATOM 0 HA LEU A 23 -2.281 18.412 -32.994 1.00 20.44 H new ATOM 0 HB2 LEU A 23 -0.819 16.091 -31.708 1.00 64.35 H new ATOM 0 HB3 LEU A 23 -0.495 17.768 -31.318 1.00 64.35 H new ATOM 0 HG LEU A 23 -3.285 16.604 -31.026 1.00 4.04 H new ATOM 0 HD11 LEU A 23 -2.790 16.191 -28.678 1.00 42.12 H new ATOM 0 HD12 LEU A 23 -1.804 15.185 -29.766 1.00 42.12 H new ATOM 0 HD13 LEU A 23 -1.086 16.608 -28.974 1.00 42.12 H new ATOM 0 HD21 LEU A 23 -3.568 18.395 -29.355 1.00 55.43 H new ATOM 0 HD22 LEU A 23 -1.909 18.951 -29.680 1.00 55.43 H new ATOM 0 HD23 LEU A 23 -3.142 19.036 -30.960 1.00 55.43 H new ATOM 337 N GLY A 24 -0.104 16.700 -34.679 1.00 4.34 N ATOM 338 CA GLY A 24 1.013 16.828 -35.585 1.00 63.10 C ATOM 339 C GLY A 24 2.359 16.767 -34.867 1.00 73.30 C ATOM 340 O GLY A 24 3.330 17.366 -35.290 1.00 41.53 O ATOM 0 H GLY A 24 -0.569 15.792 -34.691 1.00 4.34 H new ATOM 0 HA2 GLY A 24 0.966 16.033 -36.329 1.00 63.10 H new ATOM 0 HA3 GLY A 24 0.934 17.773 -36.122 1.00 63.10 H new ATOM 344 N VAL A 25 2.356 16.044 -33.754 1.00 73.32 N ATOM 345 CA VAL A 25 3.547 15.841 -32.928 1.00 5.22 C ATOM 346 C VAL A 25 4.171 14.454 -33.187 1.00 45.23 C ATOM 347 O VAL A 25 3.537 13.547 -33.669 1.00 75.35 O ATOM 348 CB VAL A 25 3.215 15.937 -31.414 1.00 73.02 C ATOM 349 CG1 VAL A 25 2.688 17.373 -31.003 1.00 72.13 C ATOM 350 CG2 VAL A 25 2.197 14.927 -31.047 1.00 52.53 C ATOM 0 H VAL A 25 1.523 15.578 -33.394 1.00 73.32 H new ATOM 0 HA VAL A 25 4.249 16.628 -33.202 1.00 5.22 H new ATOM 0 HB VAL A 25 4.144 15.750 -30.876 1.00 73.02 H new ATOM 0 HG11 VAL A 25 2.470 17.389 -29.935 1.00 72.13 H new ATOM 0 HG12 VAL A 25 3.450 18.119 -31.229 1.00 72.13 H new ATOM 0 HG13 VAL A 25 1.781 17.601 -31.562 1.00 72.13 H new ATOM 0 HG21 VAL A 25 1.974 15.005 -29.983 1.00 52.53 H new ATOM 0 HG22 VAL A 25 1.288 15.101 -31.622 1.00 52.53 H new ATOM 0 HG23 VAL A 25 2.579 13.930 -31.265 1.00 52.53 H new ATOM 360 N GLU A 26 5.466 14.340 -32.927 1.00 12.22 N ATOM 361 CA GLU A 26 6.255 13.102 -33.287 1.00 3.51 C ATOM 362 C GLU A 26 5.864 11.886 -32.462 1.00 61.34 C ATOM 363 O GLU A 26 6.010 10.736 -32.920 1.00 14.45 O ATOM 364 CB GLU A 26 7.768 13.398 -33.160 1.00 30.45 C ATOM 365 CG GLU A 26 8.267 14.623 -33.987 1.00 40.05 C ATOM 366 CD GLU A 26 7.810 14.609 -35.434 1.00 1.33 C ATOM 367 OE1 GLU A 26 8.032 13.611 -36.124 1.00 40.23 O ATOM 368 OE2 GLU A 26 7.251 15.615 -35.863 1.00 12.31 O ATOM 0 H GLU A 26 6.017 15.068 -32.472 1.00 12.22 H new ATOM 0 HA GLU A 26 6.017 12.850 -34.320 1.00 3.51 H new ATOM 0 HB2 GLU A 26 8.004 13.567 -32.109 1.00 30.45 H new ATOM 0 HB3 GLU A 26 8.324 12.515 -33.474 1.00 30.45 H new ATOM 0 HG2 GLU A 26 7.914 15.539 -33.513 1.00 40.05 H new ATOM 0 HG3 GLU A 26 9.356 14.649 -33.959 1.00 40.05 H new ATOM 375 N ARG A 27 5.468 12.129 -31.216 1.00 5.51 N ATOM 376 CA ARG A 27 5.161 11.060 -30.282 1.00 0.13 C ATOM 377 C ARG A 27 4.112 11.544 -29.307 1.00 1.44 C ATOM 378 O ARG A 27 4.007 12.739 -29.062 1.00 22.41 O ATOM 379 CB ARG A 27 6.399 10.613 -29.501 1.00 1.14 C ATOM 380 CG ARG A 27 7.106 11.734 -28.800 1.00 62.24 C ATOM 381 CD ARG A 27 8.246 11.177 -28.016 1.00 5.10 C ATOM 382 NE ARG A 27 8.906 12.183 -27.201 1.00 44.15 N ATOM 383 CZ ARG A 27 9.889 11.958 -26.336 1.00 23.10 C ATOM 384 NH1 ARG A 27 10.347 10.760 -26.068 1.00 72.31 N ATOM 385 NH2 ARG A 27 10.434 12.973 -25.699 1.00 23.15 N ATOM 0 H ARG A 27 5.353 13.067 -30.831 1.00 5.51 H new ATOM 0 HA ARG A 27 4.797 10.207 -30.854 1.00 0.13 H new ATOM 0 HB2 ARG A 27 6.103 9.865 -28.765 1.00 1.14 H new ATOM 0 HB3 ARG A 27 7.095 10.128 -30.186 1.00 1.14 H new ATOM 0 HG2 ARG A 27 7.469 12.462 -29.526 1.00 62.24 H new ATOM 0 HG3 ARG A 27 6.416 12.259 -28.139 1.00 62.24 H new ATOM 0 HD2 ARG A 27 7.883 10.375 -27.374 1.00 5.10 H new ATOM 0 HD3 ARG A 27 8.971 10.735 -28.699 1.00 5.10 H new ATOM 0 HE ARG A 27 8.587 13.146 -27.302 1.00 44.15 H new ATOM 0 HH11 ARG A 27 9.946 9.945 -26.533 1.00 72.31 H new ATOM 0 HH12 ARG A 27 11.104 10.642 -25.395 1.00 72.31 H new ATOM 0 HH21 ARG A 27 10.101 13.922 -25.872 1.00 23.15 H new ATOM 0 HH22 ARG A 27 11.189 12.811 -25.033 1.00 23.15 H new ATOM 399 N VAL A 28 3.413 10.584 -28.742 1.00 32.12 N ATOM 400 CA VAL A 28 2.416 10.820 -27.673 1.00 2.42 C ATOM 401 C VAL A 28 2.475 9.737 -26.586 1.00 12.01 C ATOM 402 O VAL A 28 2.448 8.558 -26.839 1.00 2.12 O ATOM 403 CB VAL A 28 0.956 10.792 -28.257 1.00 4.30 C ATOM 404 CG1 VAL A 28 -0.052 11.133 -27.190 1.00 4.11 C ATOM 405 CG2 VAL A 28 0.823 11.735 -29.453 1.00 34.33 C ATOM 0 H VAL A 28 3.508 9.602 -29.001 1.00 32.12 H new ATOM 0 HA VAL A 28 2.655 11.795 -27.247 1.00 2.42 H new ATOM 0 HB VAL A 28 0.753 9.780 -28.606 1.00 4.30 H new ATOM 0 HG11 VAL A 28 -1.055 11.108 -27.616 1.00 4.11 H new ATOM 0 HG12 VAL A 28 0.017 10.407 -26.379 1.00 4.11 H new ATOM 0 HG13 VAL A 28 0.152 12.131 -26.802 1.00 4.11 H new ATOM 0 HG21 VAL A 28 -0.197 11.695 -29.836 1.00 34.33 H new ATOM 0 HG22 VAL A 28 1.054 12.754 -29.141 1.00 34.33 H new ATOM 0 HG23 VAL A 28 1.517 11.430 -30.236 1.00 34.33 H new ATOM 415 N GLY A 29 2.617 10.164 -25.355 1.00 15.02 N ATOM 416 CA GLY A 29 2.654 9.269 -24.203 1.00 71.42 C ATOM 417 C GLY A 29 1.217 9.093 -23.688 1.00 23.32 C ATOM 418 O GLY A 29 0.333 9.904 -23.959 1.00 21.12 O ATOM 0 H GLY A 29 2.712 11.150 -25.113 1.00 15.02 H new ATOM 0 HA2 GLY A 29 3.078 8.305 -24.484 1.00 71.42 H new ATOM 0 HA3 GLY A 29 3.291 9.682 -23.421 1.00 71.42 H new ATOM 422 N VAL A 30 1.013 8.091 -22.857 1.00 12.32 N ATOM 423 CA VAL A 30 -0.317 7.808 -22.282 1.00 34.34 C ATOM 424 C VAL A 30 -0.822 8.971 -21.424 1.00 4.11 C ATOM 425 O VAL A 30 -2.038 9.193 -21.308 1.00 51.34 O ATOM 426 CB VAL A 30 -0.268 6.490 -21.486 1.00 43.23 C ATOM 427 CG1 VAL A 30 -0.185 5.275 -22.475 1.00 2.13 C ATOM 428 CG2 VAL A 30 0.980 6.450 -20.520 1.00 20.24 C ATOM 0 H VAL A 30 1.745 7.448 -22.555 1.00 12.32 H new ATOM 0 HA VAL A 30 -1.032 7.694 -23.097 1.00 34.34 H new ATOM 0 HB VAL A 30 -1.176 6.428 -20.887 1.00 43.23 H new ATOM 0 HG11 VAL A 30 -0.151 4.345 -21.907 1.00 2.13 H new ATOM 0 HG12 VAL A 30 -1.062 5.272 -23.123 1.00 2.13 H new ATOM 0 HG13 VAL A 30 0.715 5.362 -23.083 1.00 2.13 H new ATOM 0 HG21 VAL A 30 0.986 5.508 -19.972 1.00 20.24 H new ATOM 0 HG22 VAL A 30 1.896 6.536 -21.105 1.00 20.24 H new ATOM 0 HG23 VAL A 30 0.921 7.279 -19.815 1.00 20.24 H new ATOM 438 N ASP A 31 0.112 9.753 -20.903 1.00 21.42 N ATOM 439 CA ASP A 31 -0.152 10.889 -20.037 1.00 22.31 C ATOM 440 C ASP A 31 0.135 12.247 -20.659 1.00 73.01 C ATOM 441 O ASP A 31 0.301 13.201 -19.955 1.00 52.20 O ATOM 442 CB ASP A 31 0.718 10.715 -18.763 1.00 74.44 C ATOM 443 CG ASP A 31 0.324 9.497 -17.986 1.00 24.11 C ATOM 444 OD1 ASP A 31 -0.894 9.292 -17.776 1.00 44.34 O ATOM 445 OD2 ASP A 31 1.207 8.748 -17.588 1.00 24.23 O ATOM 0 H ASP A 31 1.106 9.608 -21.078 1.00 21.42 H new ATOM 0 HA ASP A 31 -1.221 10.890 -19.825 1.00 22.31 H new ATOM 0 HB2 ASP A 31 1.768 10.642 -19.046 1.00 74.44 H new ATOM 0 HB3 ASP A 31 0.619 11.598 -18.131 1.00 74.44 H new ATOM 450 N ASP A 32 0.213 12.313 -21.989 1.00 1.44 N ATOM 451 CA ASP A 32 0.547 13.594 -22.630 1.00 2.13 C ATOM 452 C ASP A 32 -0.722 14.440 -22.743 1.00 13.22 C ATOM 453 O ASP A 32 -1.772 13.967 -23.149 1.00 52.33 O ATOM 454 CB ASP A 32 1.112 13.376 -24.035 1.00 72.44 C ATOM 455 CG ASP A 32 2.560 13.835 -24.171 1.00 32.34 C ATOM 456 OD1 ASP A 32 3.039 14.619 -23.329 1.00 72.14 O ATOM 457 OD2 ASP A 32 3.222 13.332 -25.075 1.00 40.03 O ATOM 0 H ASP A 32 0.057 11.531 -22.625 1.00 1.44 H new ATOM 0 HA ASP A 32 1.299 14.097 -22.022 1.00 2.13 H new ATOM 0 HB2 ASP A 32 1.047 12.318 -24.287 1.00 72.44 H new ATOM 0 HB3 ASP A 32 0.497 13.914 -24.756 1.00 72.44 H new ATOM 462 N ALA A 33 -0.635 15.704 -22.393 1.00 42.44 N ATOM 463 CA ALA A 33 -1.824 16.567 -22.406 1.00 62.31 C ATOM 464 C ALA A 33 -2.123 17.125 -23.825 1.00 23.13 C ATOM 465 O ALA A 33 -1.267 17.712 -24.468 1.00 53.34 O ATOM 466 CB ALA A 33 -1.667 17.735 -21.379 1.00 13.21 C ATOM 0 H ALA A 33 0.226 16.164 -22.098 1.00 42.44 H new ATOM 0 HA ALA A 33 -2.675 15.952 -22.113 1.00 62.31 H new ATOM 0 HB1 ALA A 33 -2.558 18.363 -21.403 1.00 13.21 H new ATOM 0 HB2 ALA A 33 -1.540 17.324 -20.377 1.00 13.21 H new ATOM 0 HB3 ALA A 33 -0.794 18.333 -21.639 1.00 13.21 H new ATOM 472 N PHE A 34 -3.331 16.969 -24.311 1.00 34.12 N ATOM 473 CA PHE A 34 -3.691 17.492 -25.622 1.00 43.43 C ATOM 474 C PHE A 34 -3.378 18.983 -25.771 1.00 42.40 C ATOM 475 O PHE A 34 -2.871 19.406 -26.800 1.00 41.25 O ATOM 476 CB PHE A 34 -5.182 17.239 -25.820 1.00 25.21 C ATOM 477 CG PHE A 34 -5.698 17.534 -27.229 1.00 12.34 C ATOM 478 CD1 PHE A 34 -5.533 16.566 -28.237 1.00 53.31 C ATOM 479 CD2 PHE A 34 -6.411 18.721 -27.515 1.00 31.44 C ATOM 480 CE1 PHE A 34 -6.012 16.782 -29.529 1.00 25.24 C ATOM 481 CE2 PHE A 34 -6.932 18.952 -28.794 1.00 40.34 C ATOM 482 CZ PHE A 34 -6.738 17.974 -29.798 1.00 5.43 C ATOM 0 H PHE A 34 -4.086 16.486 -23.825 1.00 34.12 H new ATOM 0 HA PHE A 34 -3.097 16.985 -26.382 1.00 43.43 H new ATOM 0 HB2 PHE A 34 -5.395 16.197 -25.580 1.00 25.21 H new ATOM 0 HB3 PHE A 34 -5.738 17.850 -25.109 1.00 25.21 H new ATOM 0 HD1 PHE A 34 -5.027 15.640 -28.006 1.00 53.31 H new ATOM 0 HD2 PHE A 34 -6.555 19.458 -26.738 1.00 31.44 H new ATOM 0 HE1 PHE A 34 -5.835 16.057 -30.310 1.00 25.24 H new ATOM 0 HE2 PHE A 34 -7.473 19.861 -29.011 1.00 40.34 H new ATOM 0 HZ PHE A 34 -7.148 18.136 -30.784 1.00 5.43 H new ATOM 492 N HIS A 35 -3.717 19.781 -24.784 1.00 51.04 N ATOM 493 CA HIS A 35 -3.504 21.229 -24.856 1.00 0.23 C ATOM 494 C HIS A 35 -2.021 21.620 -24.698 1.00 1.01 C ATOM 495 O HIS A 35 -1.644 22.674 -25.153 1.00 22.34 O ATOM 496 CB HIS A 35 -4.312 21.943 -23.785 1.00 23.25 C ATOM 497 CG HIS A 35 -4.007 21.485 -22.387 1.00 24.22 C ATOM 498 ND1 HIS A 35 -4.918 20.846 -21.575 1.00 41.14 N ATOM 499 CD2 HIS A 35 -2.869 21.572 -21.635 1.00 60.04 C ATOM 500 CE1 HIS A 35 -4.302 20.561 -20.412 1.00 53.33 C ATOM 501 NE2 HIS A 35 -3.065 20.991 -20.401 1.00 60.21 N ATOM 0 H HIS A 35 -4.144 19.461 -23.914 1.00 51.04 H new ATOM 0 HA HIS A 35 -3.834 21.536 -25.848 1.00 0.23 H new ATOM 0 HB2 HIS A 35 -4.124 23.014 -23.855 1.00 23.25 H new ATOM 0 HB3 HIS A 35 -5.373 21.792 -23.983 1.00 23.25 H new ATOM 0 HD2 HIS A 35 -1.947 22.031 -21.961 1.00 60.04 H new ATOM 0 HE1 HIS A 35 -4.771 20.042 -19.589 1.00 53.33 H new ATOM 0 HE2 HIS A 35 -2.390 20.912 -19.640 1.00 60.21 H new ATOM 509 N ASP A 36 -1.210 20.759 -24.081 1.00 53.22 N ATOM 510 CA ASP A 36 0.207 21.032 -23.887 1.00 72.20 C ATOM 511 C ASP A 36 0.919 20.823 -25.209 1.00 71.52 C ATOM 512 O ASP A 36 1.922 21.439 -25.547 1.00 30.20 O ATOM 513 CB ASP A 36 0.799 20.045 -22.867 1.00 54.31 C ATOM 514 CG ASP A 36 2.192 20.366 -22.515 1.00 62.01 C ATOM 515 OD1 ASP A 36 2.489 21.530 -22.285 1.00 44.05 O ATOM 516 OD2 ASP A 36 2.962 19.384 -22.332 1.00 63.41 O ATOM 0 H ASP A 36 -1.517 19.862 -23.706 1.00 53.22 H new ATOM 0 HA ASP A 36 0.332 22.053 -23.526 1.00 72.20 H new ATOM 0 HB2 ASP A 36 0.189 20.051 -21.964 1.00 54.31 H new ATOM 0 HB3 ASP A 36 0.754 19.035 -23.275 1.00 54.31 H new ATOM 521 N LEU A 37 0.337 19.944 -25.981 1.00 72.15 N ATOM 522 CA LEU A 37 0.857 19.592 -27.267 1.00 65.22 C ATOM 523 C LEU A 37 0.348 20.506 -28.379 1.00 62.23 C ATOM 524 O LEU A 37 0.490 20.243 -29.554 1.00 12.33 O ATOM 525 CB LEU A 37 0.499 18.155 -27.546 1.00 51.11 C ATOM 526 CG LEU A 37 1.510 17.094 -27.080 1.00 62.12 C ATOM 527 CD1 LEU A 37 1.971 17.242 -25.640 1.00 31.51 C ATOM 528 CD2 LEU A 37 0.965 15.658 -27.274 1.00 33.24 C ATOM 0 H LEU A 37 -0.519 19.450 -25.729 1.00 72.15 H new ATOM 0 HA LEU A 37 1.940 19.718 -27.250 1.00 65.22 H new ATOM 0 HB2 LEU A 37 -0.460 17.944 -27.073 1.00 51.11 H new ATOM 0 HB3 LEU A 37 0.356 18.041 -28.621 1.00 51.11 H new ATOM 0 HG LEU A 37 2.377 17.266 -27.718 1.00 62.12 H new ATOM 0 HD11 LEU A 37 2.681 16.450 -25.402 1.00 31.51 H new ATOM 0 HD12 LEU A 37 2.451 18.212 -25.510 1.00 31.51 H new ATOM 0 HD13 LEU A 37 1.111 17.170 -24.974 1.00 31.51 H new ATOM 0 HD21 LEU A 37 1.708 14.938 -26.933 1.00 33.24 H new ATOM 0 HD22 LEU A 37 0.049 15.535 -26.696 1.00 33.24 H new ATOM 0 HD23 LEU A 37 0.753 15.489 -28.330 1.00 33.24 H new ATOM 540 N GLY A 38 -0.260 21.607 -28.002 1.00 2.12 N ATOM 541 CA GLY A 38 -0.752 22.576 -29.006 1.00 72.14 C ATOM 542 C GLY A 38 -2.198 22.365 -29.398 1.00 60.34 C ATOM 543 O GLY A 38 -2.685 22.791 -30.434 1.00 33.53 O ATOM 0 H GLY A 38 -0.433 21.868 -27.031 1.00 2.12 H new ATOM 0 HA2 GLY A 38 -0.635 23.585 -28.611 1.00 72.14 H new ATOM 0 HA3 GLY A 38 -0.129 22.509 -29.898 1.00 72.14 H new ATOM 547 N GLY A 39 -2.952 21.784 -28.494 1.00 2.40 N ATOM 548 CA GLY A 39 -4.376 21.544 -28.728 1.00 65.31 C ATOM 549 C GLY A 39 -5.250 22.754 -28.578 1.00 54.02 C ATOM 550 O GLY A 39 -4.873 23.792 -28.001 1.00 41.21 O ATOM 0 H GLY A 39 -2.613 21.465 -27.587 1.00 2.40 H new ATOM 0 HA2 GLY A 39 -4.502 21.144 -29.734 1.00 65.31 H new ATOM 0 HA3 GLY A 39 -4.720 20.776 -28.035 1.00 65.31 H new ATOM 554 N SER A 40 -6.465 22.561 -29.037 1.00 44.22 N ATOM 555 CA SER A 40 -7.494 23.581 -28.937 1.00 14.14 C ATOM 556 C SER A 40 -8.851 22.914 -28.886 1.00 3.12 C ATOM 557 O SER A 40 -8.981 21.784 -29.311 1.00 10.12 O ATOM 558 CB SER A 40 -7.426 24.536 -30.137 1.00 44.22 C ATOM 559 OG SER A 40 -8.582 25.365 -30.255 1.00 12.40 O ATOM 0 H SER A 40 -6.771 21.699 -29.488 1.00 44.22 H new ATOM 0 HA SER A 40 -7.334 24.161 -28.028 1.00 14.14 H new ATOM 0 HB2 SER A 40 -6.542 25.166 -30.043 1.00 44.22 H new ATOM 0 HB3 SER A 40 -7.308 23.954 -31.051 1.00 44.22 H new ATOM 0 HG SER A 40 -8.485 25.953 -31.033 1.00 12.40 H new ATOM 565 N SER A 41 -9.868 23.633 -28.447 1.00 34.04 N ATOM 566 CA SER A 41 -11.224 23.089 -28.443 1.00 40.12 C ATOM 567 C SER A 41 -11.822 22.967 -29.856 1.00 54.20 C ATOM 568 O SER A 41 -12.544 21.993 -30.164 1.00 41.51 O ATOM 569 CB SER A 41 -12.108 23.969 -27.607 1.00 33.23 C ATOM 570 OG SER A 41 -11.601 25.290 -27.612 1.00 61.41 O ATOM 0 H SER A 41 -9.788 24.586 -28.091 1.00 34.04 H new ATOM 0 HA SER A 41 -11.168 22.083 -28.027 1.00 40.12 H new ATOM 0 HB2 SER A 41 -13.125 23.957 -27.998 1.00 33.23 H new ATOM 0 HB3 SER A 41 -12.155 23.590 -26.586 1.00 33.23 H new ATOM 0 HG SER A 41 -12.179 25.864 -27.068 1.00 61.41 H new ATOM 576 N ALA A 42 -11.389 23.849 -30.744 1.00 60.02 N ATOM 577 CA ALA A 42 -11.749 23.765 -32.185 1.00 31.44 C ATOM 578 C ALA A 42 -11.074 22.530 -32.814 1.00 13.34 C ATOM 579 O ALA A 42 -11.643 21.813 -33.635 1.00 61.24 O ATOM 580 CB ALA A 42 -11.301 25.085 -32.957 1.00 74.31 C ATOM 0 H ALA A 42 -10.787 24.638 -30.510 1.00 60.02 H new ATOM 0 HA ALA A 42 -12.832 23.671 -32.271 1.00 31.44 H new ATOM 0 HB1 ALA A 42 -11.574 25.002 -34.009 1.00 74.31 H new ATOM 0 HB2 ALA A 42 -11.801 25.949 -32.520 1.00 74.31 H new ATOM 0 HB3 ALA A 42 -10.221 25.208 -32.871 1.00 74.31 H new ATOM 586 N LEU A 43 -9.844 22.293 -32.431 1.00 73.05 N ATOM 587 CA LEU A 43 -9.079 21.196 -32.972 1.00 23.25 C ATOM 588 C LEU A 43 -9.598 19.862 -32.465 1.00 4.24 C ATOM 589 O LEU A 43 -9.531 18.849 -33.153 1.00 62.25 O ATOM 590 CB LEU A 43 -7.589 21.340 -32.618 1.00 33.12 C ATOM 591 CG LEU A 43 -6.614 20.341 -33.304 1.00 75.11 C ATOM 592 CD1 LEU A 43 -6.516 20.416 -34.821 1.00 53.30 C ATOM 593 CD2 LEU A 43 -5.287 20.577 -32.679 1.00 60.34 C ATOM 0 H LEU A 43 -9.346 22.852 -31.738 1.00 73.05 H new ATOM 0 HA LEU A 43 -9.191 21.224 -34.056 1.00 23.25 H new ATOM 0 HB2 LEU A 43 -7.274 22.352 -32.871 1.00 33.12 H new ATOM 0 HB3 LEU A 43 -7.483 21.234 -31.538 1.00 33.12 H new ATOM 0 HG LEU A 43 -7.005 19.336 -33.144 1.00 75.11 H new ATOM 0 HD11 LEU A 43 -5.805 19.670 -35.177 1.00 53.30 H new ATOM 0 HD12 LEU A 43 -7.495 20.222 -35.259 1.00 53.30 H new ATOM 0 HD13 LEU A 43 -6.177 21.409 -35.115 1.00 53.30 H new ATOM 0 HD21 LEU A 43 -4.552 19.903 -33.119 1.00 60.34 H new ATOM 0 HD22 LEU A 43 -4.982 21.609 -32.852 1.00 60.34 H new ATOM 0 HD23 LEU A 43 -5.352 20.393 -31.607 1.00 60.34 H new ATOM 605 N ALA A 44 -10.124 19.846 -31.243 1.00 64.15 N ATOM 606 CA ALA A 44 -10.718 18.649 -30.676 1.00 60.22 C ATOM 607 C ALA A 44 -11.904 18.097 -31.524 1.00 42.03 C ATOM 608 O ALA A 44 -12.283 16.932 -31.367 1.00 11.24 O ATOM 609 CB ALA A 44 -11.215 18.967 -29.255 1.00 54.35 C ATOM 0 H ALA A 44 -10.148 20.658 -30.626 1.00 64.15 H new ATOM 0 HA ALA A 44 -9.949 17.877 -30.663 1.00 60.22 H new ATOM 0 HB1 ALA A 44 -11.664 18.075 -28.818 1.00 54.35 H new ATOM 0 HB2 ALA A 44 -10.375 19.289 -28.639 1.00 54.35 H new ATOM 0 HB3 ALA A 44 -11.959 19.763 -29.299 1.00 54.35 H new ATOM 615 N MET A 45 -12.581 18.950 -32.312 1.00 43.32 N ATOM 616 CA MET A 45 -13.717 18.467 -33.092 1.00 71.03 C ATOM 617 C MET A 45 -13.199 17.444 -34.128 1.00 71.31 C ATOM 618 O MET A 45 -13.867 16.486 -34.508 1.00 31.43 O ATOM 619 CB MET A 45 -14.419 19.613 -33.805 1.00 53.43 C ATOM 620 CG MET A 45 -15.040 20.589 -32.833 1.00 44.21 C ATOM 621 SD MET A 45 -15.699 22.008 -33.749 1.00 20.01 S ATOM 622 CE MET A 45 -16.323 23.068 -32.326 1.00 32.02 C ATOM 0 H MET A 45 -12.367 19.941 -32.420 1.00 43.32 H new ATOM 0 HA MET A 45 -14.439 18.000 -32.422 1.00 71.03 H new ATOM 0 HB2 MET A 45 -13.704 20.138 -34.439 1.00 53.43 H new ATOM 0 HB3 MET A 45 -15.192 19.213 -34.461 1.00 53.43 H new ATOM 0 HG2 MET A 45 -15.837 20.103 -32.270 1.00 44.21 H new ATOM 0 HG3 MET A 45 -14.296 20.922 -32.109 1.00 44.21 H new ATOM 0 HE1 MET A 45 -16.761 23.985 -32.720 1.00 32.02 H new ATOM 0 HE2 MET A 45 -17.078 22.517 -31.766 1.00 32.02 H new ATOM 0 HE3 MET A 45 -15.492 23.317 -31.666 1.00 32.02 H new ATOM 632 N ARG A 46 -11.974 17.711 -34.602 1.00 24.35 N ATOM 633 CA ARG A 46 -11.319 16.890 -35.607 1.00 44.23 C ATOM 634 C ARG A 46 -10.912 15.570 -35.016 1.00 24.43 C ATOM 635 O ARG A 46 -11.028 14.516 -35.646 1.00 62.50 O ATOM 636 CB ARG A 46 -10.088 17.576 -36.207 1.00 11.24 C ATOM 637 CG ARG A 46 -10.358 18.990 -36.748 1.00 70.30 C ATOM 638 CD ARG A 46 -11.518 19.049 -37.688 1.00 73.35 C ATOM 639 NE ARG A 46 -11.631 20.381 -38.261 1.00 10.40 N ATOM 640 CZ ARG A 46 -12.501 20.746 -39.183 1.00 4.33 C ATOM 641 NH1 ARG A 46 -13.365 19.920 -39.704 1.00 2.03 N ATOM 642 NH2 ARG A 46 -12.484 21.978 -39.616 1.00 13.14 N ATOM 0 H ARG A 46 -11.415 18.506 -34.293 1.00 24.35 H new ATOM 0 HA ARG A 46 -12.041 16.735 -36.409 1.00 44.23 H new ATOM 0 HB2 ARG A 46 -9.310 17.632 -35.446 1.00 11.24 H new ATOM 0 HB3 ARG A 46 -9.699 16.957 -37.016 1.00 11.24 H new ATOM 0 HG2 ARG A 46 -10.542 19.663 -35.911 1.00 70.30 H new ATOM 0 HG3 ARG A 46 -9.466 19.353 -37.259 1.00 70.30 H new ATOM 0 HD2 ARG A 46 -11.390 18.313 -38.482 1.00 73.35 H new ATOM 0 HD3 ARG A 46 -12.437 18.793 -37.160 1.00 73.35 H new ATOM 0 HE ARG A 46 -10.983 21.092 -37.922 1.00 10.40 H new ATOM 0 HH11 ARG A 46 -13.387 18.946 -39.401 1.00 2.03 H new ATOM 0 HH12 ARG A 46 -14.019 20.247 -40.415 1.00 2.03 H new ATOM 0 HH21 ARG A 46 -11.805 22.641 -39.242 1.00 13.14 H new ATOM 0 HH22 ARG A 46 -13.150 22.277 -40.329 1.00 13.14 H new ATOM 656 N LEU A 47 -10.442 15.623 -33.770 1.00 2.02 N ATOM 657 CA LEU A 47 -10.111 14.412 -33.039 1.00 70.21 C ATOM 658 C LEU A 47 -11.394 13.549 -32.876 1.00 33.51 C ATOM 659 O LEU A 47 -11.387 12.367 -33.215 1.00 14.53 O ATOM 660 CB LEU A 47 -9.529 14.750 -31.663 1.00 44.34 C ATOM 661 CG LEU A 47 -9.108 13.515 -30.862 1.00 71.32 C ATOM 662 CD1 LEU A 47 -7.887 12.904 -31.453 1.00 12.30 C ATOM 663 CD2 LEU A 47 -8.849 13.861 -29.403 1.00 1.00 C ATOM 0 H LEU A 47 -10.285 16.488 -33.253 1.00 2.02 H new ATOM 0 HA LEU A 47 -9.359 13.854 -33.597 1.00 70.21 H new ATOM 0 HB2 LEU A 47 -8.665 15.402 -31.792 1.00 44.34 H new ATOM 0 HB3 LEU A 47 -10.269 15.310 -31.091 1.00 44.34 H new ATOM 0 HG LEU A 47 -9.929 12.800 -30.906 1.00 71.32 H new ATOM 0 HD11 LEU A 47 -7.601 12.027 -30.872 1.00 12.30 H new ATOM 0 HD12 LEU A 47 -8.090 12.607 -32.482 1.00 12.30 H new ATOM 0 HD13 LEU A 47 -7.074 13.630 -31.439 1.00 12.30 H new ATOM 0 HD21 LEU A 47 -8.552 12.962 -28.863 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -8.052 14.602 -29.341 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -9.757 14.268 -28.959 1.00 1.00 H new ATOM 675 N ILE A 48 -12.493 14.145 -32.436 1.00 50.00 N ATOM 676 CA ILE A 48 -13.763 13.427 -32.298 1.00 10.31 C ATOM 677 C ILE A 48 -14.248 12.820 -33.584 1.00 52.53 C ATOM 678 O ILE A 48 -14.732 11.701 -33.605 1.00 1.43 O ATOM 679 CB ILE A 48 -14.871 14.336 -31.688 1.00 33.12 C ATOM 680 CG1 ILE A 48 -14.509 14.765 -30.264 1.00 53.41 C ATOM 681 CG2 ILE A 48 -16.289 13.603 -31.631 1.00 20.00 C ATOM 682 CD1 ILE A 48 -15.128 16.071 -29.815 1.00 51.14 C ATOM 0 H ILE A 48 -12.536 15.128 -32.166 1.00 50.00 H new ATOM 0 HA ILE A 48 -13.557 12.605 -31.612 1.00 10.31 H new ATOM 0 HB ILE A 48 -14.939 15.205 -32.343 1.00 33.12 H new ATOM 0 HG12 ILE A 48 -14.815 13.979 -29.574 1.00 53.41 H new ATOM 0 HG13 ILE A 48 -13.425 14.849 -30.190 1.00 53.41 H new ATOM 0 HG21 ILE A 48 -17.029 14.276 -31.198 1.00 20.00 H new ATOM 0 HG22 ILE A 48 -16.596 13.326 -32.639 1.00 20.00 H new ATOM 0 HG23 ILE A 48 -16.211 12.706 -31.016 1.00 20.00 H new ATOM 0 HD11 ILE A 48 -14.814 16.291 -28.795 1.00 51.14 H new ATOM 0 HD12 ILE A 48 -14.802 16.874 -30.476 1.00 51.14 H new ATOM 0 HD13 ILE A 48 -16.214 15.990 -29.851 1.00 51.14 H new ATOM 694 N ALA A 49 -14.048 13.528 -34.687 1.00 54.21 N ATOM 695 CA ALA A 49 -14.477 13.010 -35.989 1.00 43.51 C ATOM 696 C ALA A 49 -13.630 11.813 -36.396 1.00 70.24 C ATOM 697 O ALA A 49 -14.145 10.880 -36.971 1.00 52.22 O ATOM 698 CB ALA A 49 -14.399 14.114 -37.069 1.00 5.22 C ATOM 0 H ALA A 49 -13.601 14.445 -34.714 1.00 54.21 H new ATOM 0 HA ALA A 49 -15.514 12.686 -35.900 1.00 43.51 H new ATOM 0 HB1 ALA A 49 -14.722 13.708 -38.028 1.00 5.22 H new ATOM 0 HB2 ALA A 49 -15.048 14.944 -36.789 1.00 5.22 H new ATOM 0 HB3 ALA A 49 -13.372 14.469 -37.153 1.00 5.22 H new ATOM 704 N ARG A 50 -12.344 11.849 -36.106 1.00 41.42 N ATOM 705 CA ARG A 50 -11.454 10.735 -36.459 1.00 1.31 C ATOM 706 C ARG A 50 -11.739 9.514 -35.593 1.00 2.45 C ATOM 707 O ARG A 50 -11.693 8.387 -36.084 1.00 42.41 O ATOM 708 CB ARG A 50 -9.958 11.182 -36.314 1.00 12.52 C ATOM 709 CG ARG A 50 -9.010 10.507 -37.343 1.00 73.23 C ATOM 710 CD ARG A 50 -9.154 11.232 -38.676 1.00 32.01 C ATOM 711 NE ARG A 50 -8.190 10.750 -39.702 1.00 13.21 N ATOM 712 CZ ARG A 50 -7.064 11.365 -40.071 1.00 21.01 C ATOM 713 NH1 ARG A 50 -6.732 12.556 -39.589 1.00 24.30 N ATOM 714 NH2 ARG A 50 -6.280 10.780 -40.941 1.00 3.45 N ATOM 0 H ARG A 50 -11.885 12.626 -35.631 1.00 41.42 H new ATOM 0 HA ARG A 50 -11.639 10.456 -37.496 1.00 1.31 H new ATOM 0 HB2 ARG A 50 -9.897 12.264 -36.430 1.00 12.52 H new ATOM 0 HB3 ARG A 50 -9.613 10.950 -35.306 1.00 12.52 H new ATOM 0 HG2 ARG A 50 -7.978 10.553 -36.995 1.00 73.23 H new ATOM 0 HG3 ARG A 50 -9.261 9.452 -37.456 1.00 73.23 H new ATOM 0 HD2 ARG A 50 -10.170 11.100 -39.048 1.00 32.01 H new ATOM 0 HD3 ARG A 50 -9.008 12.301 -38.521 1.00 32.01 H new ATOM 0 HE ARG A 50 -8.410 9.869 -40.166 1.00 13.21 H new ATOM 0 HH11 ARG A 50 -7.343 13.024 -38.920 1.00 24.30 H new ATOM 0 HH12 ARG A 50 -5.866 13.004 -39.888 1.00 24.30 H new ATOM 0 HH21 ARG A 50 -6.534 9.870 -41.325 1.00 3.45 H new ATOM 0 HH22 ARG A 50 -5.416 11.235 -41.235 1.00 3.45 H new ATOM 728 N ILE A 51 -12.123 9.768 -34.335 1.00 74.53 N ATOM 729 CA ILE A 51 -12.539 8.719 -33.429 1.00 43.25 C ATOM 730 C ILE A 51 -13.766 7.943 -33.927 1.00 53.01 C ATOM 731 O ILE A 51 -13.853 6.739 -33.693 1.00 2.21 O ATOM 732 CB ILE A 51 -12.817 9.285 -32.025 1.00 75.32 C ATOM 733 CG1 ILE A 51 -11.444 9.610 -31.347 1.00 75.22 C ATOM 734 CG2 ILE A 51 -13.527 8.204 -31.108 1.00 32.22 C ATOM 735 CD1 ILE A 51 -11.499 10.334 -30.049 1.00 23.21 C ATOM 0 H ILE A 51 -12.150 10.704 -33.930 1.00 74.53 H new ATOM 0 HA ILE A 51 -11.708 8.015 -33.383 1.00 43.25 H new ATOM 0 HB ILE A 51 -13.454 10.164 -32.129 1.00 75.32 H new ATOM 0 HG12 ILE A 51 -10.910 8.673 -31.192 1.00 75.22 H new ATOM 0 HG13 ILE A 51 -10.852 10.203 -32.044 1.00 75.22 H new ATOM 0 HG21 ILE A 51 -13.712 8.629 -30.122 1.00 32.22 H new ATOM 0 HG22 ILE A 51 -14.474 7.909 -31.560 1.00 32.22 H new ATOM 0 HG23 ILE A 51 -12.883 7.330 -31.011 1.00 32.22 H new ATOM 0 HD11 ILE A 51 -10.486 10.500 -29.682 1.00 23.21 H new ATOM 0 HD12 ILE A 51 -11.996 11.294 -30.189 1.00 23.21 H new ATOM 0 HD13 ILE A 51 -12.055 9.740 -29.324 1.00 23.21 H new ATOM 747 N ARG A 52 -14.637 8.592 -34.692 1.00 2.33 N ATOM 748 CA ARG A 52 -15.786 7.873 -35.209 1.00 54.21 C ATOM 749 C ARG A 52 -15.379 6.765 -36.174 1.00 43.22 C ATOM 750 O ARG A 52 -16.100 5.807 -36.280 1.00 3.44 O ATOM 751 CB ARG A 52 -16.694 8.821 -35.955 1.00 73.41 C ATOM 752 CG ARG A 52 -17.262 9.940 -35.122 1.00 14.10 C ATOM 753 CD ARG A 52 -18.638 10.292 -35.657 1.00 40.41 C ATOM 754 NE ARG A 52 -19.118 11.572 -35.134 1.00 14.02 N ATOM 755 CZ ARG A 52 -20.370 11.993 -35.145 1.00 23.31 C ATOM 756 NH1 ARG A 52 -21.385 11.295 -35.625 1.00 53.42 N ATOM 757 NH2 ARG A 52 -20.614 13.167 -34.666 1.00 72.12 N ATOM 0 H ARG A 52 -14.573 9.575 -34.958 1.00 2.33 H new ATOM 0 HA ARG A 52 -16.295 7.432 -34.352 1.00 54.21 H new ATOM 0 HB2 ARG A 52 -16.139 9.253 -36.788 1.00 73.41 H new ATOM 0 HB3 ARG A 52 -17.519 8.251 -36.383 1.00 73.41 H new ATOM 0 HG2 ARG A 52 -17.329 9.637 -34.077 1.00 14.10 H new ATOM 0 HG3 ARG A 52 -16.607 10.810 -35.161 1.00 14.10 H new ATOM 0 HD2 ARG A 52 -18.604 10.335 -36.746 1.00 40.41 H new ATOM 0 HD3 ARG A 52 -19.343 9.504 -35.391 1.00 40.41 H new ATOM 0 HE ARG A 52 -18.423 12.195 -34.724 1.00 14.02 H new ATOM 0 HH11 ARG A 52 -21.225 10.368 -36.019 1.00 53.42 H new ATOM 0 HH12 ARG A 52 -22.328 11.683 -35.601 1.00 53.42 H new ATOM 0 HH21 ARG A 52 -19.852 13.735 -34.296 1.00 72.12 H new ATOM 0 HH22 ARG A 52 -21.569 13.526 -34.658 1.00 72.12 H new ATOM 771 N GLU A 53 -14.288 6.933 -36.870 1.00 30.24 N ATOM 772 CA GLU A 53 -13.818 5.960 -37.843 1.00 31.14 C ATOM 773 C GLU A 53 -13.118 4.834 -37.086 1.00 71.42 C ATOM 774 O GLU A 53 -13.192 3.704 -37.471 1.00 53.54 O ATOM 775 CB GLU A 53 -12.837 6.607 -38.831 1.00 71.15 C ATOM 776 CG GLU A 53 -13.402 7.801 -39.551 1.00 71.21 C ATOM 777 CD GLU A 53 -14.662 7.405 -40.312 1.00 44.35 C ATOM 778 OE1 GLU A 53 -14.604 6.440 -41.074 1.00 32.23 O ATOM 779 OE2 GLU A 53 -15.681 8.137 -40.212 1.00 15.42 O ATOM 0 H GLU A 53 -13.688 7.753 -36.784 1.00 30.24 H new ATOM 0 HA GLU A 53 -14.664 5.574 -38.413 1.00 31.14 H new ATOM 0 HB2 GLU A 53 -11.940 6.910 -38.292 1.00 71.15 H new ATOM 0 HB3 GLU A 53 -12.531 5.862 -39.566 1.00 71.15 H new ATOM 0 HG2 GLU A 53 -13.633 8.591 -38.836 1.00 71.21 H new ATOM 0 HG3 GLU A 53 -12.661 8.203 -40.242 1.00 71.21 H new ATOM 786 N GLU A 54 -12.443 5.193 -36.003 1.00 63.34 N ATOM 787 CA GLU A 54 -11.630 4.210 -35.266 1.00 43.32 C ATOM 788 C GLU A 54 -12.339 3.391 -34.183 1.00 41.21 C ATOM 789 O GLU A 54 -12.100 2.220 -34.034 1.00 30.14 O ATOM 790 CB GLU A 54 -10.485 4.974 -34.674 1.00 45.31 C ATOM 791 CG GLU A 54 -9.439 5.301 -35.732 1.00 62.10 C ATOM 792 CD GLU A 54 -8.260 4.326 -35.691 1.00 44.12 C ATOM 793 OE1 GLU A 54 -8.484 3.100 -35.817 1.00 41.22 O ATOM 794 OE2 GLU A 54 -7.115 4.802 -35.503 1.00 54.11 O ATOM 0 H GLU A 54 -12.435 6.136 -35.614 1.00 63.34 H new ATOM 0 HA GLU A 54 -11.332 3.445 -35.983 1.00 43.32 H new ATOM 0 HB2 GLU A 54 -10.853 5.896 -34.224 1.00 45.31 H new ATOM 0 HB3 GLU A 54 -10.028 4.390 -33.875 1.00 45.31 H new ATOM 0 HG2 GLU A 54 -9.900 5.272 -36.719 1.00 62.10 H new ATOM 0 HG3 GLU A 54 -9.075 6.317 -35.580 1.00 62.10 H new ATOM 801 N LEU A 55 -13.162 4.049 -33.348 1.00 51.25 N ATOM 802 CA LEU A 55 -13.796 3.374 -32.198 1.00 13.04 C ATOM 803 C LEU A 55 -15.262 3.190 -32.493 1.00 54.23 C ATOM 804 O LEU A 55 -16.021 2.612 -31.699 1.00 24.31 O ATOM 805 CB LEU A 55 -13.598 4.132 -30.916 1.00 23.11 C ATOM 806 CG LEU A 55 -12.139 4.347 -30.435 1.00 52.20 C ATOM 807 CD1 LEU A 55 -12.108 5.149 -29.117 1.00 53.41 C ATOM 808 CD2 LEU A 55 -11.439 3.036 -30.163 1.00 13.55 C ATOM 0 H LEU A 55 -13.403 5.035 -33.444 1.00 51.25 H new ATOM 0 HA LEU A 55 -13.320 2.404 -32.058 1.00 13.04 H new ATOM 0 HB2 LEU A 55 -14.064 5.111 -31.027 1.00 23.11 H new ATOM 0 HB3 LEU A 55 -14.139 3.609 -30.128 1.00 23.11 H new ATOM 0 HG LEU A 55 -11.633 4.886 -31.236 1.00 52.20 H new ATOM 0 HD11 LEU A 55 -11.074 5.287 -28.799 1.00 53.41 H new ATOM 0 HD12 LEU A 55 -12.573 6.122 -29.272 1.00 53.41 H new ATOM 0 HD13 LEU A 55 -12.655 4.605 -28.347 1.00 53.41 H new ATOM 0 HD21 LEU A 55 -10.420 3.230 -29.828 1.00 13.55 H new ATOM 0 HD22 LEU A 55 -11.977 2.490 -29.388 1.00 13.55 H new ATOM 0 HD23 LEU A 55 -11.414 2.441 -31.076 1.00 13.55 H new ATOM 820 N GLY A 56 -15.630 3.730 -33.611 1.00 53.21 N ATOM 821 CA GLY A 56 -16.989 3.583 -34.122 1.00 72.41 C ATOM 822 C GLY A 56 -18.092 4.281 -33.311 1.00 41.40 C ATOM 823 O GLY A 56 -19.241 3.828 -33.307 1.00 12.33 O ATOM 0 H GLY A 56 -15.014 4.285 -34.205 1.00 53.21 H new ATOM 0 HA2 GLY A 56 -17.016 3.968 -35.142 1.00 72.41 H new ATOM 0 HA3 GLY A 56 -17.223 2.520 -34.176 1.00 72.41 H new ATOM 827 N VAL A 57 -17.743 5.377 -32.635 1.00 42.24 N ATOM 828 CA VAL A 57 -18.659 6.132 -31.792 1.00 63.13 C ATOM 829 C VAL A 57 -18.216 7.611 -31.807 1.00 1.51 C ATOM 830 O VAL A 57 -17.039 7.902 -32.032 1.00 4.51 O ATOM 831 CB VAL A 57 -18.573 5.665 -30.293 1.00 11.33 C ATOM 832 CG1 VAL A 57 -19.257 4.322 -30.084 1.00 52.03 C ATOM 833 CG2 VAL A 57 -17.084 5.584 -29.800 1.00 32.25 C ATOM 0 H VAL A 57 -16.801 5.767 -32.661 1.00 42.24 H new ATOM 0 HA VAL A 57 -19.670 5.984 -32.172 1.00 63.13 H new ATOM 0 HB VAL A 57 -19.096 6.416 -29.701 1.00 11.33 H new ATOM 0 HG11 VAL A 57 -19.177 4.032 -29.036 1.00 52.03 H new ATOM 0 HG12 VAL A 57 -20.309 4.403 -30.359 1.00 52.03 H new ATOM 0 HG13 VAL A 57 -18.776 3.568 -30.707 1.00 52.03 H new ATOM 0 HG21 VAL A 57 -17.062 5.258 -28.760 1.00 32.25 H new ATOM 0 HG22 VAL A 57 -16.535 4.871 -30.415 1.00 32.25 H new ATOM 0 HG23 VAL A 57 -16.620 6.567 -29.882 1.00 32.25 H new ATOM 843 N ASP A 58 -19.127 8.489 -31.474 1.00 14.45 N ATOM 844 CA ASP A 58 -18.806 9.887 -31.233 1.00 73.25 C ATOM 845 C ASP A 58 -18.301 10.070 -29.812 1.00 64.42 C ATOM 846 O ASP A 58 -19.023 9.808 -28.842 1.00 5.32 O ATOM 847 CB ASP A 58 -20.018 10.817 -31.520 1.00 53.31 C ATOM 848 CG ASP A 58 -21.266 10.496 -30.679 1.00 12.01 C ATOM 849 OD1 ASP A 58 -21.672 9.308 -30.623 1.00 12.25 O ATOM 850 OD2 ASP A 58 -21.859 11.449 -30.129 1.00 50.12 O ATOM 0 H ASP A 58 -20.115 8.263 -31.360 1.00 14.45 H new ATOM 0 HA ASP A 58 -18.015 10.174 -31.926 1.00 73.25 H new ATOM 0 HB2 ASP A 58 -19.723 11.850 -31.334 1.00 53.31 H new ATOM 0 HB3 ASP A 58 -20.276 10.745 -32.577 1.00 53.31 H new ATOM 855 N LEU A 59 -17.046 10.458 -29.652 1.00 24.11 N ATOM 856 CA LEU A 59 -16.483 10.631 -28.315 1.00 75.15 C ATOM 857 C LEU A 59 -17.155 11.736 -27.512 1.00 15.02 C ATOM 858 O LEU A 59 -17.176 12.881 -27.935 1.00 73.32 O ATOM 859 CB LEU A 59 -14.959 10.870 -28.474 1.00 22.53 C ATOM 860 CG LEU A 59 -13.890 10.611 -27.369 1.00 44.23 C ATOM 861 CD1 LEU A 59 -14.018 11.531 -26.148 1.00 71.25 C ATOM 862 CD2 LEU A 59 -13.961 9.178 -26.909 1.00 12.04 C ATOM 0 H LEU A 59 -16.402 10.658 -30.417 1.00 24.11 H new ATOM 0 HA LEU A 59 -16.668 9.728 -27.734 1.00 75.15 H new ATOM 0 HB2 LEU A 59 -14.651 10.274 -29.333 1.00 22.53 H new ATOM 0 HB3 LEU A 59 -14.849 11.917 -28.757 1.00 22.53 H new ATOM 0 HG LEU A 59 -12.928 10.829 -27.832 1.00 44.23 H new ATOM 0 HD11 LEU A 59 -13.239 11.288 -25.426 1.00 71.25 H new ATOM 0 HD12 LEU A 59 -13.910 12.569 -26.462 1.00 71.25 H new ATOM 0 HD13 LEU A 59 -14.996 11.391 -25.688 1.00 71.25 H new ATOM 0 HD21 LEU A 59 -13.211 9.006 -26.137 1.00 12.04 H new ATOM 0 HD22 LEU A 59 -14.952 8.975 -26.503 1.00 12.04 H new ATOM 0 HD23 LEU A 59 -13.772 8.515 -27.753 1.00 12.04 H new ATOM 874 N PRO A 60 -17.662 11.438 -26.305 1.00 32.22 N ATOM 875 CA PRO A 60 -18.248 12.583 -25.564 1.00 73.24 C ATOM 876 C PRO A 60 -17.213 13.618 -25.140 1.00 4.53 C ATOM 877 O PRO A 60 -16.224 13.289 -24.507 1.00 45.44 O ATOM 878 CB PRO A 60 -18.869 11.945 -24.326 1.00 11.24 C ATOM 879 CG PRO A 60 -18.155 10.669 -24.153 1.00 62.51 C ATOM 880 CD PRO A 60 -17.797 10.170 -25.545 1.00 52.05 C ATOM 0 HA PRO A 60 -18.956 13.125 -26.191 1.00 73.24 H new ATOM 0 HB2 PRO A 60 -18.751 12.585 -23.451 1.00 11.24 H new ATOM 0 HB3 PRO A 60 -19.939 11.783 -24.460 1.00 11.24 H new ATOM 0 HG2 PRO A 60 -17.258 10.807 -23.550 1.00 62.51 H new ATOM 0 HG3 PRO A 60 -18.781 9.944 -23.632 1.00 62.51 H new ATOM 0 HD2 PRO A 60 -16.872 9.594 -25.546 1.00 52.05 H new ATOM 0 HD3 PRO A 60 -18.573 9.527 -25.960 1.00 52.05 H new ATOM 888 N ILE A 61 -17.430 14.852 -25.549 1.00 43.52 N ATOM 889 CA ILE A 61 -16.469 15.933 -25.296 1.00 1.23 C ATOM 890 C ILE A 61 -16.297 16.246 -23.801 1.00 52.33 C ATOM 891 O ILE A 61 -15.251 16.747 -23.374 1.00 1.14 O ATOM 892 CB ILE A 61 -16.847 17.194 -26.066 1.00 23.33 C ATOM 893 CG1 ILE A 61 -15.675 18.171 -26.250 1.00 2.01 C ATOM 894 CG2 ILE A 61 -18.070 17.990 -25.370 1.00 41.31 C ATOM 895 CD1 ILE A 61 -15.884 19.171 -27.358 1.00 41.10 C ATOM 0 H ILE A 61 -18.263 15.142 -26.061 1.00 43.52 H new ATOM 0 HA ILE A 61 -15.505 15.574 -25.656 1.00 1.23 H new ATOM 0 HB ILE A 61 -17.153 16.832 -27.047 1.00 23.33 H new ATOM 0 HG12 ILE A 61 -15.511 18.707 -25.315 1.00 2.01 H new ATOM 0 HG13 ILE A 61 -14.768 17.602 -26.454 1.00 2.01 H new ATOM 0 HG21 ILE A 61 -18.304 18.880 -25.954 1.00 41.31 H new ATOM 0 HG22 ILE A 61 -18.947 17.344 -25.327 1.00 41.31 H new ATOM 0 HG23 ILE A 61 -17.785 18.283 -24.359 1.00 41.31 H new ATOM 0 HD11 ILE A 61 -15.015 19.825 -27.426 1.00 41.10 H new ATOM 0 HD12 ILE A 61 -16.017 18.644 -28.303 1.00 41.10 H new ATOM 0 HD13 ILE A 61 -16.772 19.768 -27.147 1.00 41.10 H new ATOM 907 N ARG A 62 -17.256 15.844 -23.011 1.00 12.45 N ATOM 908 CA ARG A 62 -17.165 16.057 -21.587 1.00 70.51 C ATOM 909 C ARG A 62 -16.025 15.253 -21.018 1.00 32.12 C ATOM 910 O ARG A 62 -15.243 15.771 -20.203 1.00 32.52 O ATOM 911 CB ARG A 62 -18.445 15.677 -20.886 1.00 44.43 C ATOM 912 CG ARG A 62 -18.599 16.229 -19.456 1.00 22.41 C ATOM 913 CD ARG A 62 -18.868 17.761 -19.393 1.00 40.35 C ATOM 914 NE ARG A 62 -19.010 18.245 -18.011 1.00 51.32 N ATOM 915 CZ ARG A 62 -19.678 19.320 -17.641 1.00 23.31 C ATOM 916 NH1 ARG A 62 -20.222 20.141 -18.489 1.00 50.21 N ATOM 917 NH2 ARG A 62 -19.793 19.553 -16.367 1.00 2.23 N ATOM 0 H ARG A 62 -18.104 15.371 -23.323 1.00 12.45 H new ATOM 0 HA ARG A 62 -16.988 17.120 -21.422 1.00 70.51 H new ATOM 0 HB2 ARG A 62 -19.286 16.026 -21.485 1.00 44.43 H new ATOM 0 HB3 ARG A 62 -18.510 14.590 -20.847 1.00 44.43 H new ATOM 0 HG2 ARG A 62 -19.418 15.706 -18.962 1.00 22.41 H new ATOM 0 HG3 ARG A 62 -17.693 16.006 -18.892 1.00 22.41 H new ATOM 0 HD2 ARG A 62 -18.050 18.292 -19.880 1.00 40.35 H new ATOM 0 HD3 ARG A 62 -19.775 17.992 -19.952 1.00 40.35 H new ATOM 0 HE ARG A 62 -18.553 17.703 -17.277 1.00 51.32 H new ATOM 0 HH11 ARG A 62 -20.142 19.967 -19.491 1.00 50.21 H new ATOM 0 HH12 ARG A 62 -20.729 20.960 -18.153 1.00 50.21 H new ATOM 0 HH21 ARG A 62 -19.373 18.914 -15.692 1.00 2.23 H new ATOM 0 HH22 ARG A 62 -20.303 20.375 -16.043 1.00 2.23 H new ATOM 931 N GLN A 63 -15.900 14.011 -21.500 1.00 64.13 N ATOM 932 CA GLN A 63 -14.859 13.070 -21.035 1.00 3.31 C ATOM 933 C GLN A 63 -13.502 13.546 -21.439 1.00 12.45 C ATOM 934 O GLN A 63 -12.532 13.528 -20.667 1.00 10.31 O ATOM 935 CB GLN A 63 -15.152 11.681 -21.572 1.00 44.23 C ATOM 936 CG GLN A 63 -16.045 10.797 -20.598 1.00 41.41 C ATOM 937 CD GLN A 63 -17.398 11.426 -20.309 1.00 2.04 C ATOM 938 OE1 GLN A 63 -18.353 11.309 -21.091 1.00 24.05 O ATOM 939 NE2 GLN A 63 -17.499 12.038 -19.134 1.00 60.32 N ATOM 0 H GLN A 63 -16.511 13.626 -22.220 1.00 64.13 H new ATOM 0 HA GLN A 63 -14.872 13.024 -19.946 1.00 3.31 H new ATOM 0 HB2 GLN A 63 -15.658 11.772 -22.533 1.00 44.23 H new ATOM 0 HB3 GLN A 63 -14.209 11.165 -21.755 1.00 44.23 H new ATOM 0 HG2 GLN A 63 -16.194 9.813 -21.042 1.00 41.41 H new ATOM 0 HG3 GLN A 63 -15.511 10.646 -19.660 1.00 41.41 H new ATOM 0 HE21 GLN A 63 -16.684 12.109 -18.524 1.00 60.32 H new ATOM 0 HE22 GLN A 63 -18.391 12.437 -18.842 1.00 60.32 H new ATOM 948 N LEU A 64 -13.437 14.028 -22.673 1.00 22.43 N ATOM 949 CA LEU A 64 -12.200 14.564 -23.211 1.00 13.02 C ATOM 950 C LEU A 64 -11.741 15.752 -22.359 1.00 33.20 C ATOM 951 O LEU A 64 -10.602 15.850 -21.961 1.00 73.11 O ATOM 952 CB LEU A 64 -12.486 15.059 -24.653 1.00 35.33 C ATOM 953 CG LEU A 64 -11.265 15.614 -25.415 1.00 43.24 C ATOM 954 CD1 LEU A 64 -10.215 14.609 -25.615 1.00 73.15 C ATOM 955 CD2 LEU A 64 -11.765 16.093 -26.810 1.00 64.53 C ATOM 0 H LEU A 64 -14.227 14.058 -23.317 1.00 22.43 H new ATOM 0 HA LEU A 64 -11.423 13.800 -23.208 1.00 13.02 H new ATOM 0 HB2 LEU A 64 -12.906 14.233 -25.226 1.00 35.33 H new ATOM 0 HB3 LEU A 64 -13.249 15.836 -24.608 1.00 35.33 H new ATOM 0 HG LEU A 64 -10.830 16.421 -24.826 1.00 43.24 H new ATOM 0 HD11 LEU A 64 -9.381 15.056 -26.156 1.00 73.15 H new ATOM 0 HD12 LEU A 64 -9.867 14.248 -24.647 1.00 73.15 H new ATOM 0 HD13 LEU A 64 -10.615 13.774 -26.191 1.00 73.15 H new ATOM 0 HD21 LEU A 64 -10.926 16.493 -27.379 1.00 64.53 H new ATOM 0 HD22 LEU A 64 -12.201 15.252 -27.349 1.00 64.53 H new ATOM 0 HD23 LEU A 64 -12.518 16.870 -26.679 1.00 64.53 H new ATOM 967 N PHE A 65 -12.613 16.703 -22.095 1.00 11.43 N ATOM 968 CA PHE A 65 -12.189 17.892 -21.369 1.00 33.42 C ATOM 969 C PHE A 65 -11.852 17.531 -19.913 1.00 34.11 C ATOM 970 O PHE A 65 -10.935 18.097 -19.325 1.00 11.24 O ATOM 971 CB PHE A 65 -13.299 18.989 -21.436 1.00 44.23 C ATOM 972 CG PHE A 65 -13.400 19.729 -22.787 1.00 64.45 C ATOM 973 CD1 PHE A 65 -12.546 19.436 -23.867 1.00 11.24 C ATOM 974 CD2 PHE A 65 -14.380 20.740 -22.953 1.00 12.12 C ATOM 975 CE1 PHE A 65 -12.648 20.132 -25.101 1.00 52.24 C ATOM 976 CE2 PHE A 65 -14.487 21.459 -24.183 1.00 43.53 C ATOM 977 CZ PHE A 65 -13.633 21.136 -25.252 1.00 35.14 C ATOM 0 H PHE A 65 -13.597 16.683 -22.362 1.00 11.43 H new ATOM 0 HA PHE A 65 -11.289 18.293 -21.835 1.00 33.42 H new ATOM 0 HB2 PHE A 65 -14.261 18.525 -21.219 1.00 44.23 H new ATOM 0 HB3 PHE A 65 -13.114 19.721 -20.650 1.00 44.23 H new ATOM 0 HD1 PHE A 65 -11.797 18.666 -23.755 1.00 11.24 H new ATOM 0 HD2 PHE A 65 -15.053 20.969 -22.140 1.00 12.12 H new ATOM 0 HE1 PHE A 65 -11.980 19.897 -25.916 1.00 52.24 H new ATOM 0 HE2 PHE A 65 -15.219 22.246 -24.291 1.00 43.53 H new ATOM 0 HZ PHE A 65 -13.729 21.657 -26.193 1.00 35.14 H new ATOM 987 N SER A 66 -12.567 16.580 -19.332 1.00 52.22 N ATOM 988 CA SER A 66 -12.301 16.183 -17.920 1.00 61.41 C ATOM 989 C SER A 66 -10.977 15.416 -17.737 1.00 43.14 C ATOM 990 O SER A 66 -10.390 15.428 -16.650 1.00 13.04 O ATOM 991 CB SER A 66 -13.462 15.362 -17.460 1.00 52.22 C ATOM 992 OG SER A 66 -14.670 16.086 -17.560 1.00 21.21 O ATOM 0 H SER A 66 -13.323 16.068 -19.786 1.00 52.22 H new ATOM 0 HA SER A 66 -12.190 17.085 -17.318 1.00 61.41 H new ATOM 0 HB2 SER A 66 -13.529 14.454 -18.059 1.00 52.22 H new ATOM 0 HB3 SER A 66 -13.305 15.052 -16.427 1.00 52.22 H new ATOM 0 HG SER A 66 -14.994 16.055 -18.484 1.00 21.21 H new ATOM 998 N SER A 67 -10.469 14.826 -18.792 1.00 54.43 N ATOM 999 CA SER A 67 -9.214 14.042 -18.742 1.00 44.50 C ATOM 1000 C SER A 67 -8.468 14.207 -20.050 1.00 34.32 C ATOM 1001 O SER A 67 -8.579 13.357 -20.932 1.00 30.40 O ATOM 1002 CB SER A 67 -9.547 12.566 -18.533 1.00 33.34 C ATOM 1003 OG SER A 67 -10.222 12.356 -17.304 1.00 2.33 O ATOM 0 H SER A 67 -10.897 14.863 -19.717 1.00 54.43 H new ATOM 0 HA SER A 67 -8.594 14.397 -17.919 1.00 44.50 H new ATOM 0 HB2 SER A 67 -10.168 12.212 -19.356 1.00 33.34 H new ATOM 0 HB3 SER A 67 -8.629 11.979 -18.550 1.00 33.34 H new ATOM 0 HG SER A 67 -10.143 11.414 -17.044 1.00 2.33 H new ATOM 1009 N PRO A 68 -7.747 15.312 -20.223 1.00 32.34 N ATOM 1010 CA PRO A 68 -7.096 15.621 -21.504 1.00 50.33 C ATOM 1011 C PRO A 68 -5.829 14.864 -21.866 1.00 12.20 C ATOM 1012 O PRO A 68 -5.004 15.386 -22.652 1.00 1.42 O ATOM 1013 CB PRO A 68 -6.802 17.125 -21.386 1.00 61.23 C ATOM 1014 CG PRO A 68 -6.532 17.291 -19.931 1.00 13.30 C ATOM 1015 CD PRO A 68 -7.490 16.380 -19.236 1.00 25.11 C ATOM 0 HA PRO A 68 -7.759 15.313 -22.313 1.00 50.33 H new ATOM 0 HB2 PRO A 68 -5.946 17.419 -21.993 1.00 61.23 H new ATOM 0 HB3 PRO A 68 -7.648 17.730 -21.713 1.00 61.23 H new ATOM 0 HG2 PRO A 68 -5.501 17.031 -19.692 1.00 13.30 H new ATOM 0 HG3 PRO A 68 -6.680 18.325 -19.621 1.00 13.30 H new ATOM 0 HD2 PRO A 68 -7.064 15.979 -18.316 1.00 25.11 H new ATOM 0 HD3 PRO A 68 -8.408 16.900 -18.962 1.00 25.11 H new ATOM 1023 N THR A 69 -5.718 13.622 -21.401 1.00 72.30 N ATOM 1024 CA THR A 69 -4.580 12.788 -21.751 1.00 53.12 C ATOM 1025 C THR A 69 -5.147 11.629 -22.502 1.00 10.24 C ATOM 1026 O THR A 69 -6.280 11.299 -22.260 1.00 14.13 O ATOM 1027 CB THR A 69 -3.818 12.335 -20.525 1.00 14.43 C ATOM 1028 OG1 THR A 69 -4.719 11.637 -19.628 1.00 22.34 O ATOM 1029 CG2 THR A 69 -3.243 13.509 -19.719 1.00 3.33 C ATOM 0 H THR A 69 -6.399 13.177 -20.786 1.00 72.30 H new ATOM 0 HA THR A 69 -3.857 13.339 -22.352 1.00 53.12 H new ATOM 0 HB THR A 69 -3.005 11.704 -20.885 1.00 14.43 H new ATOM 0 HG1 THR A 69 -4.226 11.341 -18.834 1.00 22.34 H new ATOM 0 HG21 THR A 69 -2.707 13.126 -18.851 1.00 3.33 H new ATOM 0 HG22 THR A 69 -2.558 14.080 -20.346 1.00 3.33 H new ATOM 0 HG23 THR A 69 -4.056 14.155 -19.387 1.00 3.33 H new ATOM 1037 N PRO A 70 -4.401 10.978 -23.395 1.00 43.13 N ATOM 1038 CA PRO A 70 -5.076 9.897 -24.154 1.00 11.34 C ATOM 1039 C PRO A 70 -5.514 8.673 -23.294 1.00 22.42 C ATOM 1040 O PRO A 70 -6.604 8.126 -23.513 1.00 60.50 O ATOM 1041 CB PRO A 70 -4.029 9.492 -25.205 1.00 32.10 C ATOM 1042 CG PRO A 70 -2.750 9.976 -24.687 1.00 42.43 C ATOM 1043 CD PRO A 70 -3.005 11.212 -23.854 1.00 64.22 C ATOM 0 HA PRO A 70 -6.018 10.250 -24.573 1.00 11.34 H new ATOM 0 HB2 PRO A 70 -4.012 8.411 -25.346 1.00 32.10 H new ATOM 0 HB3 PRO A 70 -4.254 9.937 -26.175 1.00 32.10 H new ATOM 0 HG2 PRO A 70 -2.270 9.205 -24.084 1.00 42.43 H new ATOM 0 HG3 PRO A 70 -2.072 10.206 -25.509 1.00 42.43 H new ATOM 0 HD2 PRO A 70 -2.308 11.296 -23.020 1.00 64.22 H new ATOM 0 HD3 PRO A 70 -2.914 12.127 -24.439 1.00 64.22 H new ATOM 1051 N ALA A 71 -4.768 8.317 -22.263 1.00 73.30 N ATOM 1052 CA ALA A 71 -5.200 7.257 -21.333 1.00 13.22 C ATOM 1053 C ALA A 71 -6.246 7.739 -20.350 1.00 23.03 C ATOM 1054 O ALA A 71 -7.117 6.976 -19.865 1.00 61.40 O ATOM 1055 CB ALA A 71 -4.009 6.698 -20.597 1.00 54.05 C ATOM 0 H ALA A 71 -3.865 8.735 -22.039 1.00 73.30 H new ATOM 0 HA ALA A 71 -5.662 6.471 -21.931 1.00 13.22 H new ATOM 0 HB1 ALA A 71 -4.338 5.916 -19.913 1.00 54.05 H new ATOM 0 HB2 ALA A 71 -3.302 6.279 -21.313 1.00 54.05 H new ATOM 0 HB3 ALA A 71 -3.524 7.494 -20.032 1.00 54.05 H new ATOM 1061 N GLY A 72 -6.195 9.049 -20.138 1.00 34.34 N ATOM 1062 CA GLY A 72 -7.182 9.697 -19.282 1.00 70.53 C ATOM 1063 C GLY A 72 -8.556 9.590 -19.933 1.00 24.15 C ATOM 1064 O GLY A 72 -9.550 9.272 -19.303 1.00 40.21 O ATOM 0 H GLY A 72 -5.495 9.674 -20.538 1.00 34.34 H new ATOM 0 HA2 GLY A 72 -7.194 9.226 -18.299 1.00 70.53 H new ATOM 0 HA3 GLY A 72 -6.919 10.744 -19.130 1.00 70.53 H new ATOM 1068 N VAL A 73 -8.603 9.867 -21.225 1.00 21.33 N ATOM 1069 CA VAL A 73 -9.851 9.764 -21.966 1.00 70.53 C ATOM 1070 C VAL A 73 -10.387 8.328 -21.843 1.00 11.54 C ATOM 1071 O VAL A 73 -11.606 8.112 -21.618 1.00 14.43 O ATOM 1072 CB VAL A 73 -9.686 10.105 -23.487 1.00 14.11 C ATOM 1073 CG1 VAL A 73 -10.994 9.824 -24.222 1.00 51.34 C ATOM 1074 CG2 VAL A 73 -9.295 11.598 -23.681 1.00 14.21 C ATOM 0 H VAL A 73 -7.800 10.163 -21.780 1.00 21.33 H new ATOM 0 HA VAL A 73 -10.542 10.490 -21.537 1.00 70.53 H new ATOM 0 HB VAL A 73 -8.891 9.481 -23.894 1.00 14.11 H new ATOM 0 HG11 VAL A 73 -10.876 10.062 -25.279 1.00 51.34 H new ATOM 0 HG12 VAL A 73 -11.253 8.771 -24.114 1.00 51.34 H new ATOM 0 HG13 VAL A 73 -11.789 10.438 -23.798 1.00 51.34 H new ATOM 0 HG21 VAL A 73 -9.186 11.810 -24.745 1.00 14.21 H new ATOM 0 HG22 VAL A 73 -10.073 12.235 -23.261 1.00 14.21 H new ATOM 0 HG23 VAL A 73 -8.351 11.796 -23.173 1.00 14.21 H new ATOM 1084 N ALA A 74 -9.496 7.379 -21.976 1.00 31.31 N ATOM 1085 CA ALA A 74 -9.851 5.943 -21.973 1.00 13.23 C ATOM 1086 C ALA A 74 -10.513 5.556 -20.687 1.00 11.32 C ATOM 1087 O ALA A 74 -11.464 4.773 -20.674 1.00 12.24 O ATOM 1088 CB ALA A 74 -8.628 5.082 -22.214 1.00 55.23 C ATOM 0 H ALA A 74 -8.498 7.558 -22.091 1.00 31.31 H new ATOM 0 HA ALA A 74 -10.557 5.775 -22.787 1.00 13.23 H new ATOM 0 HB1 ALA A 74 -8.916 4.031 -22.207 1.00 55.23 H new ATOM 0 HB2 ALA A 74 -8.192 5.332 -23.181 1.00 55.23 H new ATOM 0 HB3 ALA A 74 -7.895 5.263 -21.428 1.00 55.23 H new ATOM 1094 N ARG A 75 -10.028 6.090 -19.587 1.00 43.35 N ATOM 1095 CA ARG A 75 -10.559 5.716 -18.298 1.00 74.22 C ATOM 1096 C ARG A 75 -11.858 6.472 -18.015 1.00 23.15 C ATOM 1097 O ARG A 75 -12.817 5.961 -17.479 1.00 23.42 O ATOM 1098 CB ARG A 75 -9.530 5.980 -17.200 1.00 21.25 C ATOM 1099 CG ARG A 75 -8.240 5.140 -17.375 1.00 22.42 C ATOM 1100 CD ARG A 75 -8.410 3.619 -17.118 1.00 72.35 C ATOM 1101 NE ARG A 75 -8.318 3.312 -15.667 1.00 65.45 N ATOM 1102 CZ ARG A 75 -7.196 2.903 -15.054 1.00 65.12 C ATOM 1103 NH1 ARG A 75 -6.028 2.825 -15.695 1.00 25.51 N ATOM 1104 NH2 ARG A 75 -7.243 2.571 -13.785 1.00 40.13 N ATOM 0 H ARG A 75 -9.275 6.777 -19.560 1.00 43.35 H new ATOM 0 HA ARG A 75 -10.780 4.649 -18.310 1.00 74.22 H new ATOM 0 HB2 ARG A 75 -9.272 7.039 -17.197 1.00 21.25 H new ATOM 0 HB3 ARG A 75 -9.975 5.758 -16.230 1.00 21.25 H new ATOM 0 HG2 ARG A 75 -7.866 5.283 -18.389 1.00 22.42 H new ATOM 0 HG3 ARG A 75 -7.478 5.525 -16.697 1.00 22.42 H new ATOM 0 HD2 ARG A 75 -9.374 3.287 -17.504 1.00 72.35 H new ATOM 0 HD3 ARG A 75 -7.642 3.067 -17.660 1.00 72.35 H new ATOM 0 HE ARG A 75 -9.160 3.419 -15.101 1.00 65.45 H new ATOM 0 HH11 ARG A 75 -5.969 3.080 -16.681 1.00 25.51 H new ATOM 0 HH12 ARG A 75 -5.194 2.510 -15.199 1.00 25.51 H new ATOM 0 HH21 ARG A 75 -8.125 2.625 -13.276 1.00 40.13 H new ATOM 0 HH22 ARG A 75 -6.397 2.259 -13.308 1.00 40.13 H new ATOM 1118 N ALA A 76 -11.846 7.766 -18.374 1.00 54.12 N ATOM 1119 CA ALA A 76 -13.018 8.614 -18.115 1.00 42.13 C ATOM 1120 C ALA A 76 -14.263 8.067 -18.838 1.00 73.14 C ATOM 1121 O ALA A 76 -15.348 8.067 -18.303 1.00 1.12 O ATOM 1122 CB ALA A 76 -12.711 10.009 -18.540 1.00 73.35 C ATOM 0 H ALA A 76 -11.064 8.235 -18.830 1.00 54.12 H new ATOM 0 HA ALA A 76 -13.242 8.610 -17.048 1.00 42.13 H new ATOM 0 HB1 ALA A 76 -13.576 10.645 -18.351 1.00 73.35 H new ATOM 0 HB2 ALA A 76 -11.856 10.382 -17.976 1.00 73.35 H new ATOM 0 HB3 ALA A 76 -12.476 10.022 -19.604 1.00 73.35 H new ATOM 1128 N LEU A 77 -14.137 7.577 -20.069 1.00 52.24 N ATOM 1129 CA LEU A 77 -15.276 7.008 -20.761 1.00 50.11 C ATOM 1130 C LEU A 77 -15.537 5.575 -20.233 1.00 22.51 C ATOM 1131 O LEU A 77 -16.691 5.150 -20.232 1.00 65.24 O ATOM 1132 CB LEU A 77 -15.066 7.037 -22.298 1.00 21.30 C ATOM 1133 CG LEU A 77 -14.027 6.096 -22.962 1.00 72.21 C ATOM 1134 CD1 LEU A 77 -14.653 4.780 -23.351 1.00 23.43 C ATOM 1135 CD2 LEU A 77 -13.370 6.741 -24.207 1.00 52.22 C ATOM 0 H LEU A 77 -13.265 7.565 -20.598 1.00 52.24 H new ATOM 0 HA LEU A 77 -16.161 7.612 -20.559 1.00 50.11 H new ATOM 0 HB2 LEU A 77 -16.031 6.830 -22.760 1.00 21.30 H new ATOM 0 HB3 LEU A 77 -14.796 8.058 -22.568 1.00 21.30 H new ATOM 0 HG LEU A 77 -13.251 5.919 -22.217 1.00 72.21 H new ATOM 0 HD11 LEU A 77 -13.900 4.142 -23.814 1.00 23.43 H new ATOM 0 HD12 LEU A 77 -15.049 4.289 -22.462 1.00 23.43 H new ATOM 0 HD13 LEU A 77 -15.463 4.957 -24.058 1.00 23.43 H new ATOM 0 HD21 LEU A 77 -12.650 6.046 -24.639 1.00 52.22 H new ATOM 0 HD22 LEU A 77 -14.138 6.973 -24.945 1.00 52.22 H new ATOM 0 HD23 LEU A 77 -12.859 7.658 -23.915 1.00 52.22 H new