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 25:sc= 0.82 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 61:sc= -0.309 USER MOD Single : A 19 TYR OH : rot -171:sc= 0.519 USER MOD Single : A 35 HIS : no HD1:sc= -0.277 X(o=-0.28,f=-0.17) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0127 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0039 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0.0293 K(o=0.029,f=-1.7) USER MOD Single : A 66 SER OG : rot 82:sc= 1.18 USER MOD Single : A 67 SER OG : rot -160:sc=-0.00777 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0222 USER MOD ----------------------------------------------------------------- ATOM 127 N THR A 11 -7.597 0.446 -26.656 1.00 35.54 N ATOM 128 CA THR A 11 -8.171 1.756 -26.945 1.00 12.33 C ATOM 129 C THR A 11 -7.131 2.868 -26.885 1.00 22.42 C ATOM 130 O THR A 11 -7.136 3.774 -27.713 1.00 22.22 O ATOM 131 CB THR A 11 -9.265 2.104 -25.920 1.00 13.13 C ATOM 132 OG1 THR A 11 -9.732 0.890 -25.315 1.00 1.53 O ATOM 133 CG2 THR A 11 -10.435 2.811 -26.578 1.00 65.54 C ATOM 0 HA THR A 11 -8.579 1.691 -27.954 1.00 12.33 H new ATOM 0 HB THR A 11 -8.839 2.773 -25.172 1.00 13.13 H new ATOM 0 HG1 THR A 11 -9.033 0.206 -25.372 1.00 1.53 H new ATOM 0 HG21 THR A 11 -11.190 3.043 -25.826 1.00 65.54 H new ATOM 0 HG22 THR A 11 -10.088 3.735 -27.041 1.00 65.54 H new ATOM 0 HG23 THR A 11 -10.869 2.164 -27.340 1.00 65.54 H new ATOM 141 N GLU A 12 -6.264 2.809 -25.887 1.00 2.35 N ATOM 142 CA GLU A 12 -5.309 3.889 -25.630 1.00 63.15 C ATOM 143 C GLU A 12 -4.363 4.110 -26.792 1.00 62.20 C ATOM 144 O GLU A 12 -4.090 5.244 -27.151 1.00 63.43 O ATOM 145 CB GLU A 12 -4.504 3.586 -24.366 1.00 41.24 C ATOM 146 CG GLU A 12 -5.346 3.686 -23.112 1.00 24.31 C ATOM 147 CD GLU A 12 -4.651 3.136 -21.882 1.00 52.32 C ATOM 148 OE1 GLU A 12 -4.016 2.072 -21.981 1.00 40.13 O ATOM 149 OE2 GLU A 12 -4.829 3.708 -20.789 1.00 22.31 O ATOM 0 H GLU A 12 -6.197 2.025 -25.237 1.00 2.35 H new ATOM 0 HA GLU A 12 -5.887 4.803 -25.496 1.00 63.15 H new ATOM 0 HB2 GLU A 12 -4.081 2.584 -24.438 1.00 41.24 H new ATOM 0 HB3 GLU A 12 -3.667 4.281 -24.296 1.00 41.24 H new ATOM 0 HG2 GLU A 12 -5.606 4.730 -22.939 1.00 24.31 H new ATOM 0 HG3 GLU A 12 -6.281 3.146 -23.265 1.00 24.31 H new ATOM 156 N LYS A 13 -3.899 3.036 -27.408 1.00 74.54 N ATOM 157 CA LYS A 13 -2.967 3.162 -28.538 1.00 20.33 C ATOM 158 C LYS A 13 -3.610 3.835 -29.756 1.00 73.35 C ATOM 159 O LYS A 13 -2.942 4.555 -30.491 1.00 5.31 O ATOM 160 CB LYS A 13 -2.392 1.786 -28.931 1.00 34.53 C ATOM 161 CG LYS A 13 -3.444 0.719 -29.230 1.00 53.44 C ATOM 162 CD LYS A 13 -3.099 -0.062 -30.487 1.00 34.31 C ATOM 163 CE LYS A 13 -4.237 -1.014 -30.837 1.00 64.44 C ATOM 164 NZ LYS A 13 -3.974 -1.724 -32.139 1.00 21.43 N ATOM 0 H LYS A 13 -4.142 2.078 -27.157 1.00 74.54 H new ATOM 0 HA LYS A 13 -2.154 3.806 -28.203 1.00 20.33 H new ATOM 0 HB2 LYS A 13 -1.758 1.909 -29.809 1.00 34.53 H new ATOM 0 HB3 LYS A 13 -1.752 1.430 -28.124 1.00 34.53 H new ATOM 0 HG2 LYS A 13 -3.522 0.035 -28.385 1.00 53.44 H new ATOM 0 HG3 LYS A 13 -4.419 1.191 -29.349 1.00 53.44 H new ATOM 0 HD2 LYS A 13 -2.921 0.625 -31.314 1.00 34.31 H new ATOM 0 HD3 LYS A 13 -2.177 -0.624 -30.335 1.00 34.31 H new ATOM 0 HE2 LYS A 13 -4.360 -1.746 -30.039 1.00 64.44 H new ATOM 0 HE3 LYS A 13 -5.172 -0.457 -30.906 1.00 64.44 H new ATOM 0 HZ1 LYS A 13 -4.765 -2.365 -32.351 1.00 21.43 H new ATOM 0 HZ2 LYS A 13 -3.881 -1.025 -32.903 1.00 21.43 H new ATOM 0 HZ3 LYS A 13 -3.094 -2.273 -32.063 1.00 21.43 H new ATOM 178 N VAL A 14 -4.907 3.628 -29.963 1.00 33.40 N ATOM 179 CA VAL A 14 -5.594 4.227 -31.105 1.00 72.11 C ATOM 180 C VAL A 14 -5.809 5.699 -30.822 1.00 53.02 C ATOM 181 O VAL A 14 -5.549 6.547 -31.657 1.00 12.24 O ATOM 182 CB VAL A 14 -6.970 3.546 -31.364 1.00 43.12 C ATOM 183 CG1 VAL A 14 -7.677 4.202 -32.552 1.00 35.11 C ATOM 184 CG2 VAL A 14 -6.792 2.048 -31.641 1.00 71.01 C ATOM 0 H VAL A 14 -5.500 3.056 -29.362 1.00 33.40 H new ATOM 0 HA VAL A 14 -4.978 4.089 -31.994 1.00 72.11 H new ATOM 0 HB VAL A 14 -7.579 3.671 -30.469 1.00 43.12 H new ATOM 0 HG11 VAL A 14 -8.637 3.714 -32.719 1.00 35.11 H new ATOM 0 HG12 VAL A 14 -7.839 5.259 -32.340 1.00 35.11 H new ATOM 0 HG13 VAL A 14 -7.059 4.101 -33.444 1.00 35.11 H new ATOM 0 HG21 VAL A 14 -7.766 1.593 -31.819 1.00 71.01 H new ATOM 0 HG22 VAL A 14 -6.162 1.913 -32.520 1.00 71.01 H new ATOM 0 HG23 VAL A 14 -6.321 1.572 -30.781 1.00 71.01 H new ATOM 194 N LEU A 15 -6.254 6.003 -29.617 1.00 2.13 N ATOM 195 CA LEU A 15 -6.511 7.379 -29.217 1.00 42.42 C ATOM 196 C LEU A 15 -5.226 8.195 -29.250 1.00 61.21 C ATOM 197 O LEU A 15 -5.219 9.327 -29.690 1.00 50.31 O ATOM 198 CB LEU A 15 -7.091 7.393 -27.812 1.00 73.33 C ATOM 199 CG LEU A 15 -8.511 6.856 -27.695 1.00 52.41 C ATOM 200 CD1 LEU A 15 -8.705 6.423 -26.269 1.00 71.24 C ATOM 201 CD2 LEU A 15 -9.556 7.900 -28.089 1.00 4.21 C ATOM 0 H LEU A 15 -6.447 5.312 -28.892 1.00 2.13 H new ATOM 0 HA LEU A 15 -7.221 7.823 -29.915 1.00 42.42 H new ATOM 0 HB2 LEU A 15 -6.442 6.806 -27.162 1.00 73.33 H new ATOM 0 HB3 LEU A 15 -7.074 8.417 -27.439 1.00 73.33 H new ATOM 0 HG LEU A 15 -8.645 6.020 -28.382 1.00 52.41 H new ATOM 0 HD11 LEU A 15 -9.714 6.030 -26.142 1.00 71.24 H new ATOM 0 HD12 LEU A 15 -7.980 5.647 -26.022 1.00 71.24 H new ATOM 0 HD13 LEU A 15 -8.562 7.277 -25.607 1.00 71.24 H new ATOM 0 HD21 LEU A 15 -10.553 7.472 -27.990 1.00 4.21 H new ATOM 0 HD22 LEU A 15 -9.467 8.768 -27.436 1.00 4.21 H new ATOM 0 HD23 LEU A 15 -9.393 8.205 -29.123 1.00 4.21 H new ATOM 213 N CYS A 16 -4.139 7.566 -28.827 1.00 0.21 N ATOM 214 CA CYS A 16 -2.818 8.175 -28.887 1.00 42.15 C ATOM 215 C CYS A 16 -2.503 8.527 -30.335 1.00 41.14 C ATOM 216 O CYS A 16 -2.127 9.662 -30.623 1.00 41.04 O ATOM 217 CB CYS A 16 -1.782 7.211 -28.302 1.00 24.55 C ATOM 218 SG CYS A 16 -0.160 7.962 -27.988 1.00 44.53 S ATOM 0 H CYS A 16 -4.147 6.625 -28.435 1.00 0.21 H new ATOM 0 HA CYS A 16 -2.791 9.090 -28.296 1.00 42.15 H new ATOM 0 HB2 CYS A 16 -2.168 6.804 -27.368 1.00 24.55 H new ATOM 0 HB3 CYS A 16 -1.655 6.373 -28.987 1.00 24.55 H new ATOM 0 HG CYS A 16 -0.288 8.927 -27.126 1.00 44.53 H new ATOM 224 N ALA A 17 -2.689 7.593 -31.240 1.00 32.22 N ATOM 225 CA ALA A 17 -2.368 7.854 -32.619 1.00 22.11 C ATOM 226 C ALA A 17 -3.252 8.935 -33.246 1.00 2.32 C ATOM 227 O ALA A 17 -2.760 9.834 -33.953 1.00 10.33 O ATOM 228 CB ALA A 17 -2.526 6.552 -33.437 1.00 1.42 C ATOM 0 H ALA A 17 -3.055 6.661 -31.048 1.00 32.22 H new ATOM 0 HA ALA A 17 -1.340 8.216 -32.641 1.00 22.11 H new ATOM 0 HB1 ALA A 17 -2.284 6.747 -34.482 1.00 1.42 H new ATOM 0 HB2 ALA A 17 -1.852 5.791 -33.044 1.00 1.42 H new ATOM 0 HB3 ALA A 17 -3.554 6.198 -33.363 1.00 1.42 H new ATOM 234 N LEU A 18 -4.521 8.957 -32.875 1.00 30.50 N ATOM 235 CA LEU A 18 -5.444 9.980 -33.356 1.00 74.14 C ATOM 236 C LEU A 18 -5.050 11.374 -32.858 1.00 21.13 C ATOM 237 O LEU A 18 -5.342 12.353 -33.530 1.00 52.12 O ATOM 238 CB LEU A 18 -6.884 9.694 -32.938 1.00 1.20 C ATOM 239 CG LEU A 18 -7.578 8.471 -33.540 1.00 13.30 C ATOM 240 CD1 LEU A 18 -8.979 8.416 -32.930 1.00 75.32 C ATOM 241 CD2 LEU A 18 -7.668 8.529 -35.069 1.00 10.43 C ATOM 0 H LEU A 18 -4.940 8.277 -32.240 1.00 30.50 H new ATOM 0 HA LEU A 18 -5.381 9.955 -34.444 1.00 74.14 H new ATOM 0 HB2 LEU A 18 -6.902 9.588 -31.853 1.00 1.20 H new ATOM 0 HB3 LEU A 18 -7.483 10.571 -33.182 1.00 1.20 H new ATOM 0 HG LEU A 18 -6.997 7.578 -33.311 1.00 13.30 H new ATOM 0 HD11 LEU A 18 -9.517 7.556 -33.330 1.00 75.32 H new ATOM 0 HD12 LEU A 18 -8.901 8.323 -31.847 1.00 75.32 H new ATOM 0 HD13 LEU A 18 -9.520 9.329 -33.178 1.00 75.32 H new ATOM 0 HD21 LEU A 18 -8.170 7.635 -35.438 1.00 10.43 H new ATOM 0 HD22 LEU A 18 -8.234 9.412 -35.367 1.00 10.43 H new ATOM 0 HD23 LEU A 18 -6.664 8.582 -35.491 1.00 10.43 H new ATOM 253 N TYR A 19 -4.391 11.497 -31.708 1.00 45.12 N ATOM 254 CA TYR A 19 -3.977 12.809 -31.251 1.00 42.11 C ATOM 255 C TYR A 19 -2.974 13.369 -32.240 1.00 12.31 C ATOM 256 O TYR A 19 -3.103 14.524 -32.657 1.00 53.14 O ATOM 257 CB TYR A 19 -3.279 12.761 -29.901 1.00 31.32 C ATOM 258 CG TYR A 19 -4.148 12.945 -28.674 1.00 70.34 C ATOM 259 CD1 TYR A 19 -5.409 12.324 -28.568 1.00 62.53 C ATOM 260 CD2 TYR A 19 -3.675 13.701 -27.560 1.00 54.03 C ATOM 261 CE1 TYR A 19 -6.199 12.485 -27.394 1.00 73.11 C ATOM 262 CE2 TYR A 19 -4.468 13.861 -26.420 1.00 42.20 C ATOM 263 CZ TYR A 19 -5.725 13.273 -26.349 1.00 44.34 C ATOM 264 OH TYR A 19 -6.478 13.489 -25.219 1.00 71.23 O ATOM 0 H TYR A 19 -4.140 10.722 -31.094 1.00 45.12 H new ATOM 0 HA TYR A 19 -4.876 13.419 -31.165 1.00 42.11 H new ATOM 0 HB2 TYR A 19 -2.771 11.801 -29.816 1.00 31.32 H new ATOM 0 HB3 TYR A 19 -2.508 13.532 -29.890 1.00 31.32 H new ATOM 0 HD1 TYR A 19 -5.779 11.721 -29.384 1.00 62.53 H new ATOM 0 HD2 TYR A 19 -2.695 14.154 -27.598 1.00 54.03 H new ATOM 0 HE1 TYR A 19 -7.160 11.999 -27.315 1.00 73.11 H new ATOM 0 HE2 TYR A 19 -4.101 14.445 -25.589 1.00 42.20 H new ATOM 0 HH TYR A 19 -6.048 14.174 -24.665 1.00 71.23 H new ATOM 274 N ALA A 20 -1.979 12.580 -32.634 1.00 13.42 N ATOM 275 CA ALA A 20 -0.945 13.056 -33.550 1.00 31.13 C ATOM 276 C ALA A 20 -1.508 13.433 -34.914 1.00 15.22 C ATOM 277 O ALA A 20 -0.986 14.343 -35.545 1.00 32.32 O ATOM 278 CB ALA A 20 0.103 11.946 -33.749 1.00 33.42 C ATOM 0 H ALA A 20 -1.866 11.611 -32.335 1.00 13.42 H new ATOM 0 HA ALA A 20 -0.503 13.948 -33.106 1.00 31.13 H new ATOM 0 HB1 ALA A 20 0.878 12.295 -34.432 1.00 33.42 H new ATOM 0 HB2 ALA A 20 0.553 11.694 -32.789 1.00 33.42 H new ATOM 0 HB3 ALA A 20 -0.378 11.062 -34.168 1.00 33.42 H new ATOM 284 N GLU A 21 -2.528 12.733 -35.362 1.00 32.52 N ATOM 285 CA GLU A 21 -3.138 13.042 -36.661 1.00 71.30 C ATOM 286 C GLU A 21 -3.725 14.447 -36.697 1.00 64.24 C ATOM 287 O GLU A 21 -3.788 15.082 -37.744 1.00 65.54 O ATOM 288 CB GLU A 21 -4.255 12.021 -36.939 1.00 3.52 C ATOM 289 CG GLU A 21 -3.761 10.631 -37.326 1.00 74.15 C ATOM 290 CD GLU A 21 -3.090 10.613 -38.707 1.00 41.23 C ATOM 291 OE1 GLU A 21 -3.741 11.030 -39.689 1.00 62.45 O ATOM 292 OE2 GLU A 21 -1.927 10.155 -38.807 1.00 33.34 O ATOM 0 H GLU A 21 -2.956 11.954 -34.862 1.00 32.52 H new ATOM 0 HA GLU A 21 -2.360 12.988 -37.422 1.00 71.30 H new ATOM 0 HB2 GLU A 21 -4.881 11.936 -36.051 1.00 3.52 H new ATOM 0 HB3 GLU A 21 -4.888 12.403 -37.740 1.00 3.52 H new ATOM 0 HG2 GLU A 21 -3.053 10.278 -36.576 1.00 74.15 H new ATOM 0 HG3 GLU A 21 -4.601 9.936 -37.324 1.00 74.15 H new ATOM 299 N ILE A 22 -4.231 14.856 -35.556 1.00 62.05 N ATOM 300 CA ILE A 22 -4.921 16.104 -35.427 1.00 61.03 C ATOM 301 C ILE A 22 -3.977 17.261 -35.068 1.00 72.11 C ATOM 302 O ILE A 22 -4.120 18.391 -35.533 1.00 1.23 O ATOM 303 CB ILE A 22 -5.996 15.904 -34.314 1.00 12.01 C ATOM 304 CG1 ILE A 22 -7.079 14.916 -34.767 1.00 20.02 C ATOM 305 CG2 ILE A 22 -6.657 17.243 -33.939 1.00 54.13 C ATOM 306 CD1 ILE A 22 -7.855 15.240 -36.008 1.00 73.21 C ATOM 0 H ILE A 22 -4.171 14.322 -34.689 1.00 62.05 H new ATOM 0 HA ILE A 22 -5.374 16.378 -36.380 1.00 61.03 H new ATOM 0 HB ILE A 22 -5.486 15.499 -33.440 1.00 12.01 H new ATOM 0 HG12 ILE A 22 -6.605 13.946 -34.914 1.00 20.02 H new ATOM 0 HG13 ILE A 22 -7.790 14.803 -33.949 1.00 20.02 H new ATOM 0 HG21 ILE A 22 -7.402 17.076 -33.161 1.00 54.13 H new ATOM 0 HG22 ILE A 22 -5.898 17.933 -33.571 1.00 54.13 H new ATOM 0 HG23 ILE A 22 -7.140 17.669 -34.818 1.00 54.13 H new ATOM 0 HD11 ILE A 22 -8.582 14.450 -36.199 1.00 73.21 H new ATOM 0 HD12 ILE A 22 -8.376 16.188 -35.874 1.00 73.21 H new ATOM 0 HD13 ILE A 22 -7.172 15.318 -36.854 1.00 73.21 H new ATOM 318 N LEU A 23 -2.994 16.941 -34.241 1.00 43.00 N ATOM 319 CA LEU A 23 -2.035 17.914 -33.743 1.00 73.24 C ATOM 320 C LEU A 23 -0.928 18.219 -34.755 1.00 40.20 C ATOM 321 O LEU A 23 -0.349 19.294 -34.723 1.00 31.54 O ATOM 322 CB LEU A 23 -1.428 17.424 -32.438 1.00 34.22 C ATOM 323 CG LEU A 23 -2.403 17.340 -31.263 1.00 40.41 C ATOM 324 CD1 LEU A 23 -1.802 16.462 -30.176 1.00 61.43 C ATOM 325 CD2 LEU A 23 -2.734 18.717 -30.682 1.00 41.13 C ATOM 0 H LEU A 23 -2.838 15.994 -33.895 1.00 43.00 H new ATOM 0 HA LEU A 23 -2.578 18.843 -33.572 1.00 73.24 H new ATOM 0 HB2 LEU A 23 -0.996 16.437 -32.604 1.00 34.22 H new ATOM 0 HB3 LEU A 23 -0.609 18.088 -32.164 1.00 34.22 H new ATOM 0 HG LEU A 23 -3.333 16.910 -31.634 1.00 40.41 H new ATOM 0 HD11 LEU A 23 -2.493 16.399 -29.336 1.00 61.43 H new ATOM 0 HD12 LEU A 23 -1.622 15.463 -30.573 1.00 61.43 H new ATOM 0 HD13 LEU A 23 -0.860 16.894 -29.839 1.00 61.43 H new ATOM 0 HD21 LEU A 23 -3.430 18.603 -29.851 1.00 41.13 H new ATOM 0 HD22 LEU A 23 -1.819 19.192 -30.327 1.00 41.13 H new ATOM 0 HD23 LEU A 23 -3.189 19.338 -31.454 1.00 41.13 H new ATOM 337 N GLY A 24 -0.626 17.269 -35.629 1.00 32.21 N ATOM 338 CA GLY A 24 0.419 17.482 -36.617 1.00 24.25 C ATOM 339 C GLY A 24 1.816 17.453 -36.011 1.00 55.52 C ATOM 340 O GLY A 24 2.720 18.143 -36.480 1.00 64.40 O ATOM 0 H GLY A 24 -1.082 16.358 -35.674 1.00 32.21 H new ATOM 0 HA2 GLY A 24 0.346 16.715 -37.388 1.00 24.25 H new ATOM 0 HA3 GLY A 24 0.260 18.443 -37.107 1.00 24.25 H new ATOM 344 N VAL A 25 1.986 16.666 -34.960 1.00 62.24 N ATOM 345 CA VAL A 25 3.270 16.555 -34.260 1.00 51.31 C ATOM 346 C VAL A 25 3.943 15.239 -34.645 1.00 0.23 C ATOM 347 O VAL A 25 3.286 14.318 -35.101 1.00 54.35 O ATOM 348 CB VAL A 25 3.088 16.635 -32.711 1.00 2.34 C ATOM 349 CG1 VAL A 25 2.586 18.029 -32.318 1.00 75.22 C ATOM 350 CG2 VAL A 25 2.104 15.560 -32.198 1.00 62.22 C ATOM 0 H VAL A 25 1.246 16.086 -34.565 1.00 62.24 H new ATOM 0 HA VAL A 25 3.899 17.393 -34.560 1.00 51.31 H new ATOM 0 HB VAL A 25 4.058 16.449 -32.249 1.00 2.34 H new ATOM 0 HG11 VAL A 25 2.461 18.079 -31.236 1.00 75.22 H new ATOM 0 HG12 VAL A 25 3.311 18.779 -32.635 1.00 75.22 H new ATOM 0 HG13 VAL A 25 1.629 18.221 -32.803 1.00 75.22 H new ATOM 0 HG21 VAL A 25 2.002 15.646 -31.116 1.00 62.22 H new ATOM 0 HG22 VAL A 25 1.131 15.705 -32.667 1.00 62.22 H new ATOM 0 HG23 VAL A 25 2.484 14.570 -32.449 1.00 62.22 H new ATOM 360 N GLU A 26 5.259 15.170 -34.474 1.00 74.35 N ATOM 361 CA GLU A 26 6.031 13.981 -34.835 1.00 12.12 C ATOM 362 C GLU A 26 5.581 12.767 -34.033 1.00 43.35 C ATOM 363 O GLU A 26 5.388 11.667 -34.563 1.00 14.20 O ATOM 364 CB GLU A 26 7.522 14.229 -34.555 1.00 53.30 C ATOM 365 CG GLU A 26 8.456 13.108 -35.010 1.00 75.11 C ATOM 366 CD GLU A 26 9.820 13.184 -34.329 1.00 61.03 C ATOM 367 OE1 GLU A 26 9.951 12.648 -33.202 1.00 51.24 O ATOM 368 OE2 GLU A 26 10.759 13.750 -34.920 1.00 4.00 O ATOM 0 H GLU A 26 5.819 15.929 -34.085 1.00 74.35 H new ATOM 0 HA GLU A 26 5.868 13.785 -35.895 1.00 12.12 H new ATOM 0 HB2 GLU A 26 7.821 15.154 -35.048 1.00 53.30 H new ATOM 0 HB3 GLU A 26 7.655 14.381 -33.484 1.00 53.30 H new ATOM 0 HG2 GLU A 26 7.996 12.144 -34.793 1.00 75.11 H new ATOM 0 HG3 GLU A 26 8.587 13.163 -36.091 1.00 75.11 H new ATOM 375 N ARG A 27 5.457 12.973 -32.727 1.00 61.53 N ATOM 376 CA ARG A 27 5.075 11.910 -31.794 1.00 33.41 C ATOM 377 C ARG A 27 4.235 12.485 -30.725 1.00 22.13 C ATOM 378 O ARG A 27 4.263 13.695 -30.480 1.00 63.24 O ATOM 379 CB ARG A 27 6.333 11.303 -31.132 1.00 73.12 C ATOM 380 CG ARG A 27 7.168 10.422 -32.044 1.00 40.13 C ATOM 381 CD ARG A 27 8.569 10.316 -31.549 1.00 11.54 C ATOM 382 NE ARG A 27 8.640 9.573 -30.277 1.00 34.25 N ATOM 383 CZ ARG A 27 9.726 9.447 -29.523 1.00 10.42 C ATOM 384 NH1 ARG A 27 10.872 10.003 -29.837 1.00 12.44 N ATOM 385 NH2 ARG A 27 9.647 8.744 -28.420 1.00 15.03 N ATOM 0 H ARG A 27 5.617 13.877 -32.282 1.00 61.53 H new ATOM 0 HA ARG A 27 4.536 11.139 -32.344 1.00 33.41 H new ATOM 0 HB2 ARG A 27 6.959 12.115 -30.761 1.00 73.12 H new ATOM 0 HB3 ARG A 27 6.024 10.717 -30.266 1.00 73.12 H new ATOM 0 HG2 ARG A 27 6.723 9.429 -32.103 1.00 40.13 H new ATOM 0 HG3 ARG A 27 7.166 10.832 -33.054 1.00 40.13 H new ATOM 0 HD2 ARG A 27 9.183 9.816 -32.298 1.00 11.54 H new ATOM 0 HD3 ARG A 27 8.984 11.315 -31.411 1.00 11.54 H new ATOM 0 HE ARG A 27 7.787 9.120 -29.950 1.00 34.25 H new ATOM 0 HH11 ARG A 27 10.953 10.558 -30.689 1.00 12.44 H new ATOM 0 HH12 ARG A 27 11.682 9.881 -29.229 1.00 12.44 H new ATOM 0 HH21 ARG A 27 8.764 8.307 -28.156 1.00 15.03 H new ATOM 0 HH22 ARG A 27 10.468 8.634 -27.826 1.00 15.03 H new ATOM 399 N VAL A 28 3.534 11.584 -30.055 1.00 14.33 N ATOM 400 CA VAL A 28 2.653 11.954 -28.962 1.00 53.00 C ATOM 401 C VAL A 28 2.737 10.734 -28.003 1.00 51.44 C ATOM 402 O VAL A 28 2.892 9.598 -28.448 1.00 62.15 O ATOM 403 CB VAL A 28 1.231 12.224 -29.491 1.00 41.34 C ATOM 404 CG1 VAL A 28 0.611 11.009 -30.137 1.00 53.52 C ATOM 405 CG2 VAL A 28 0.283 12.770 -28.397 1.00 23.43 C ATOM 0 H VAL A 28 3.560 10.584 -30.252 1.00 14.33 H new ATOM 0 HA VAL A 28 2.932 12.876 -28.451 1.00 53.00 H new ATOM 0 HB VAL A 28 1.355 12.993 -30.254 1.00 41.34 H new ATOM 0 HG11 VAL A 28 -0.390 11.256 -30.491 1.00 53.52 H new ATOM 0 HG12 VAL A 28 1.226 10.691 -30.979 1.00 53.52 H new ATOM 0 HG13 VAL A 28 0.548 10.201 -29.408 1.00 53.52 H new ATOM 0 HG21 VAL A 28 -0.705 12.942 -28.824 1.00 23.43 H new ATOM 0 HG22 VAL A 28 0.206 12.045 -27.587 1.00 23.43 H new ATOM 0 HG23 VAL A 28 0.679 13.708 -28.008 1.00 23.43 H new ATOM 415 N GLY A 29 2.656 10.996 -26.714 1.00 25.04 N ATOM 416 CA GLY A 29 2.722 9.959 -25.682 1.00 25.45 C ATOM 417 C GLY A 29 1.331 9.582 -25.185 1.00 21.05 C ATOM 418 O GLY A 29 0.326 10.213 -25.536 1.00 31.22 O ATOM 0 H GLY A 29 2.542 11.939 -26.342 1.00 25.04 H new ATOM 0 HA2 GLY A 29 3.219 9.076 -26.083 1.00 25.45 H new ATOM 0 HA3 GLY A 29 3.326 10.313 -24.846 1.00 25.45 H new ATOM 422 N VAL A 30 1.246 8.482 -24.442 1.00 13.34 N ATOM 423 CA VAL A 30 -0.071 8.055 -23.906 1.00 70.31 C ATOM 424 C VAL A 30 -0.521 8.989 -22.802 1.00 42.52 C ATOM 425 O VAL A 30 -1.697 9.127 -22.507 1.00 21.51 O ATOM 426 CB VAL A 30 -0.037 6.609 -23.316 1.00 72.45 C ATOM 427 CG1 VAL A 30 -0.728 5.627 -24.289 1.00 72.21 C ATOM 428 CG2 VAL A 30 1.406 6.161 -23.024 1.00 63.23 C ATOM 0 H VAL A 30 2.033 7.881 -24.197 1.00 13.34 H new ATOM 0 HA VAL A 30 -0.762 8.079 -24.748 1.00 70.31 H new ATOM 0 HB VAL A 30 -0.579 6.610 -22.370 1.00 72.45 H new ATOM 0 HG11 VAL A 30 -0.700 4.621 -23.871 1.00 72.21 H new ATOM 0 HG12 VAL A 30 -1.764 5.930 -24.437 1.00 72.21 H new ATOM 0 HG13 VAL A 30 -0.207 5.636 -25.246 1.00 72.21 H new ATOM 0 HG21 VAL A 30 1.398 5.151 -22.614 1.00 63.23 H new ATOM 0 HG22 VAL A 30 1.985 6.173 -23.948 1.00 63.23 H new ATOM 0 HG23 VAL A 30 1.859 6.841 -22.303 1.00 63.23 H new ATOM 438 N ASP A 31 0.448 9.641 -22.243 1.00 14.02 N ATOM 439 CA ASP A 31 0.251 10.551 -21.137 1.00 73.13 C ATOM 440 C ASP A 31 0.321 12.016 -21.587 1.00 15.45 C ATOM 441 O ASP A 31 0.508 12.892 -20.780 1.00 30.25 O ATOM 442 CB ASP A 31 1.318 10.241 -20.077 1.00 34.30 C ATOM 443 CG ASP A 31 1.157 8.844 -19.456 1.00 61.13 C ATOM 444 OD1 ASP A 31 0.046 8.481 -19.013 1.00 53.10 O ATOM 445 OD2 ASP A 31 2.183 8.120 -19.404 1.00 41.44 O ATOM 0 H ASP A 31 1.420 9.561 -22.541 1.00 14.02 H new ATOM 0 HA ASP A 31 -0.746 10.410 -20.719 1.00 73.13 H new ATOM 0 HB2 ASP A 31 2.306 10.320 -20.530 1.00 34.30 H new ATOM 0 HB3 ASP A 31 1.268 10.992 -19.288 1.00 34.30 H new ATOM 450 N ASP A 32 0.251 12.258 -22.894 1.00 73.33 N ATOM 451 CA ASP A 32 0.493 13.610 -23.399 1.00 2.41 C ATOM 452 C ASP A 32 -0.700 14.545 -23.287 1.00 2.33 C ATOM 453 O ASP A 32 -1.809 14.196 -23.691 1.00 75.40 O ATOM 454 CB ASP A 32 0.907 13.565 -24.871 1.00 54.11 C ATOM 455 CG ASP A 32 2.202 14.265 -25.117 1.00 70.23 C ATOM 456 OD1 ASP A 32 2.461 15.303 -24.454 1.00 61.04 O ATOM 457 OD2 ASP A 32 2.990 13.754 -25.919 1.00 1.12 O ATOM 0 H ASP A 32 0.035 11.560 -23.606 1.00 73.33 H new ATOM 0 HA ASP A 32 1.287 14.005 -22.765 1.00 2.41 H new ATOM 0 HB2 ASP A 32 0.992 12.526 -25.191 1.00 54.11 H new ATOM 0 HB3 ASP A 32 0.127 14.023 -25.480 1.00 54.11 H new ATOM 462 N ALA A 33 -0.487 15.737 -22.752 1.00 12.53 N ATOM 463 CA ALA A 33 -1.580 16.686 -22.586 1.00 73.00 C ATOM 464 C ALA A 33 -1.928 17.344 -23.937 1.00 21.21 C ATOM 465 O ALA A 33 -1.126 18.072 -24.492 1.00 51.41 O ATOM 466 CB ALA A 33 -1.201 17.765 -21.556 1.00 42.43 C ATOM 0 H ALA A 33 0.421 16.069 -22.428 1.00 12.53 H new ATOM 0 HA ALA A 33 -2.454 16.146 -22.222 1.00 73.00 H new ATOM 0 HB1 ALA A 33 -2.028 18.466 -21.443 1.00 42.43 H new ATOM 0 HB2 ALA A 33 -0.991 17.294 -20.596 1.00 42.43 H new ATOM 0 HB3 ALA A 33 -0.315 18.300 -21.899 1.00 42.43 H new ATOM 472 N PHE A 34 -3.136 17.100 -24.429 1.00 64.01 N ATOM 473 CA PHE A 34 -3.583 17.613 -25.730 1.00 50.31 C ATOM 474 C PHE A 34 -3.296 19.100 -25.947 1.00 44.54 C ATOM 475 O PHE A 34 -2.843 19.507 -27.013 1.00 32.11 O ATOM 476 CB PHE A 34 -5.094 17.371 -25.880 1.00 14.31 C ATOM 477 CG PHE A 34 -5.635 17.727 -27.244 1.00 25.43 C ATOM 478 CD1 PHE A 34 -5.258 16.979 -28.374 1.00 43.43 C ATOM 479 CD2 PHE A 34 -6.531 18.795 -27.402 1.00 72.12 C ATOM 480 CE1 PHE A 34 -5.759 17.299 -29.653 1.00 24.22 C ATOM 481 CE2 PHE A 34 -7.051 19.122 -28.681 1.00 40.13 C ATOM 482 CZ PHE A 34 -6.660 18.371 -29.805 1.00 10.10 C ATOM 0 H PHE A 34 -3.838 16.542 -23.942 1.00 64.01 H new ATOM 0 HA PHE A 34 -3.011 17.071 -26.483 1.00 50.31 H new ATOM 0 HB2 PHE A 34 -5.306 16.321 -25.678 1.00 14.31 H new ATOM 0 HB3 PHE A 34 -5.623 17.954 -25.126 1.00 14.31 H new ATOM 0 HD1 PHE A 34 -4.576 16.149 -28.261 1.00 43.43 H new ATOM 0 HD2 PHE A 34 -6.828 19.375 -26.541 1.00 72.12 H new ATOM 0 HE1 PHE A 34 -5.453 16.723 -30.514 1.00 24.22 H new ATOM 0 HE2 PHE A 34 -7.744 19.943 -28.791 1.00 40.13 H new ATOM 0 HZ PHE A 34 -7.050 18.616 -30.782 1.00 10.10 H new ATOM 492 N HIS A 35 -3.570 19.911 -24.937 1.00 41.01 N ATOM 493 CA HIS A 35 -3.422 21.356 -25.060 1.00 43.14 C ATOM 494 C HIS A 35 -1.970 21.837 -25.057 1.00 1.03 C ATOM 495 O HIS A 35 -1.707 22.957 -25.472 1.00 70.34 O ATOM 496 CB HIS A 35 -4.194 22.048 -23.936 1.00 43.44 C ATOM 497 CG HIS A 35 -3.827 21.568 -22.566 1.00 75.40 C ATOM 498 ND1 HIS A 35 -4.665 20.847 -21.751 1.00 41.33 N ATOM 499 CD2 HIS A 35 -2.682 21.727 -21.843 1.00 73.22 C ATOM 500 CE1 HIS A 35 -4.028 20.606 -20.610 1.00 30.33 C ATOM 501 NE2 HIS A 35 -2.815 21.114 -20.612 1.00 23.43 N ATOM 0 H HIS A 35 -3.896 19.595 -24.023 1.00 41.01 H new ATOM 0 HA HIS A 35 -3.829 21.622 -26.035 1.00 43.14 H new ATOM 0 HB2 HIS A 35 -4.017 23.122 -23.994 1.00 43.44 H new ATOM 0 HB3 HIS A 35 -5.262 21.892 -24.092 1.00 43.44 H new ATOM 0 HD2 HIS A 35 -1.802 22.254 -22.182 1.00 73.22 H new ATOM 0 HE1 HIS A 35 -4.454 20.059 -19.782 1.00 30.33 H new ATOM 0 HE2 HIS A 35 -2.122 21.066 -19.865 1.00 23.43 H new ATOM 509 N ASP A 36 -1.035 21.015 -24.600 1.00 23.14 N ATOM 510 CA ASP A 36 0.372 21.429 -24.537 1.00 45.22 C ATOM 511 C ASP A 36 0.956 21.449 -25.942 1.00 55.13 C ATOM 512 O ASP A 36 1.722 22.332 -26.304 1.00 63.43 O ATOM 513 CB ASP A 36 1.176 20.476 -23.654 1.00 61.05 C ATOM 514 CG ASP A 36 2.535 21.039 -23.284 1.00 34.44 C ATOM 515 OD1 ASP A 36 2.577 21.962 -22.434 1.00 64.13 O ATOM 516 OD2 ASP A 36 3.552 20.549 -23.803 1.00 2.10 O ATOM 0 H ASP A 36 -1.216 20.067 -24.269 1.00 23.14 H new ATOM 0 HA ASP A 36 0.426 22.427 -24.103 1.00 45.22 H new ATOM 0 HB2 ASP A 36 0.613 20.265 -22.745 1.00 61.05 H new ATOM 0 HB3 ASP A 36 1.308 19.527 -24.174 1.00 61.05 H new ATOM 521 N LEU A 37 0.484 20.521 -26.766 1.00 61.25 N ATOM 522 CA LEU A 37 0.875 20.451 -28.177 1.00 0.43 C ATOM 523 C LEU A 37 0.073 21.462 -29.016 1.00 51.15 C ATOM 524 O LEU A 37 -0.011 21.352 -30.237 1.00 25.45 O ATOM 525 CB LEU A 37 0.639 19.031 -28.729 1.00 11.14 C ATOM 526 CG LEU A 37 1.457 17.817 -28.236 1.00 24.31 C ATOM 527 CD1 LEU A 37 2.872 18.186 -27.775 1.00 10.11 C ATOM 528 CD2 LEU A 37 0.726 17.061 -27.126 1.00 75.25 C ATOM 0 H LEU A 37 -0.177 19.798 -26.482 1.00 61.25 H new ATOM 0 HA LEU A 37 1.935 20.695 -28.244 1.00 0.43 H new ATOM 0 HB2 LEU A 37 -0.411 18.795 -28.553 1.00 11.14 H new ATOM 0 HB3 LEU A 37 0.777 19.086 -29.809 1.00 11.14 H new ATOM 0 HG LEU A 37 1.561 17.165 -29.103 1.00 24.31 H new ATOM 0 HD11 LEU A 37 3.392 17.288 -27.442 1.00 10.11 H new ATOM 0 HD12 LEU A 37 3.419 18.635 -28.604 1.00 10.11 H new ATOM 0 HD13 LEU A 37 2.812 18.898 -26.951 1.00 10.11 H new ATOM 0 HD21 LEU A 37 1.331 16.213 -26.804 1.00 75.25 H new ATOM 0 HD22 LEU A 37 0.557 17.729 -26.281 1.00 75.25 H new ATOM 0 HD23 LEU A 37 -0.232 16.701 -27.501 1.00 75.25 H new ATOM 540 N GLY A 38 -0.538 22.439 -28.359 1.00 61.15 N ATOM 541 CA GLY A 38 -1.309 23.449 -29.065 1.00 74.32 C ATOM 542 C GLY A 38 -2.704 22.978 -29.430 1.00 52.04 C ATOM 543 O GLY A 38 -3.365 23.564 -30.295 1.00 33.53 O ATOM 0 H GLY A 38 -0.514 22.552 -27.346 1.00 61.15 H new ATOM 0 HA2 GLY A 38 -1.383 24.342 -28.444 1.00 74.32 H new ATOM 0 HA3 GLY A 38 -0.778 23.735 -29.973 1.00 74.32 H new ATOM 547 N GLY A 39 -3.166 21.931 -28.763 1.00 33.33 N ATOM 548 CA GLY A 39 -4.493 21.385 -29.012 1.00 5.13 C ATOM 549 C GLY A 39 -5.624 22.282 -28.548 1.00 71.11 C ATOM 550 O GLY A 39 -6.124 22.182 -27.425 1.00 73.32 O ATOM 0 H GLY A 39 -2.639 21.440 -28.041 1.00 33.33 H new ATOM 0 HA2 GLY A 39 -4.604 21.200 -30.080 1.00 5.13 H new ATOM 0 HA3 GLY A 39 -4.578 20.421 -28.511 1.00 5.13 H new ATOM 554 N SER A 40 -6.028 23.180 -29.432 1.00 22.24 N ATOM 555 CA SER A 40 -7.104 24.121 -29.158 1.00 22.41 C ATOM 556 C SER A 40 -8.451 23.413 -29.136 1.00 42.24 C ATOM 557 O SER A 40 -8.594 22.296 -29.633 1.00 33.44 O ATOM 558 CB SER A 40 -7.120 25.202 -30.240 1.00 42.20 C ATOM 559 OG SER A 40 -7.384 24.637 -31.516 1.00 14.41 O ATOM 0 H SER A 40 -5.619 23.278 -30.361 1.00 22.24 H new ATOM 0 HA SER A 40 -6.931 24.570 -28.180 1.00 22.41 H new ATOM 0 HB2 SER A 40 -7.879 25.948 -30.004 1.00 42.20 H new ATOM 0 HB3 SER A 40 -6.160 25.719 -30.258 1.00 42.20 H new ATOM 0 HG SER A 40 -7.391 25.346 -32.193 1.00 14.41 H new ATOM 565 N SER A 41 -9.464 24.096 -28.625 1.00 31.55 N ATOM 566 CA SER A 41 -10.823 23.560 -28.610 1.00 73.22 C ATOM 567 C SER A 41 -11.322 23.303 -30.035 1.00 1.22 C ATOM 568 O SER A 41 -12.116 22.396 -30.274 1.00 74.14 O ATOM 569 CB SER A 41 -11.741 24.554 -27.910 1.00 73.55 C ATOM 570 OG SER A 41 -11.514 25.862 -28.417 1.00 0.41 O ATOM 0 H SER A 41 -9.374 25.025 -28.214 1.00 31.55 H new ATOM 0 HA SER A 41 -10.825 22.611 -28.074 1.00 73.22 H new ATOM 0 HB2 SER A 41 -12.782 24.271 -28.063 1.00 73.55 H new ATOM 0 HB3 SER A 41 -11.560 24.535 -26.835 1.00 73.55 H new ATOM 0 HG SER A 41 -12.108 26.496 -27.964 1.00 0.41 H new ATOM 576 N ALA A 42 -10.819 24.081 -30.985 1.00 60.32 N ATOM 577 CA ALA A 42 -11.167 23.894 -32.386 1.00 42.54 C ATOM 578 C ALA A 42 -10.618 22.553 -32.895 1.00 4.02 C ATOM 579 O ALA A 42 -11.310 21.825 -33.601 1.00 21.32 O ATOM 580 CB ALA A 42 -10.613 25.055 -33.221 1.00 1.43 C ATOM 0 H ALA A 42 -10.169 24.847 -30.810 1.00 60.32 H new ATOM 0 HA ALA A 42 -12.252 23.880 -32.484 1.00 42.54 H new ATOM 0 HB1 ALA A 42 -10.877 24.908 -34.268 1.00 1.43 H new ATOM 0 HB2 ALA A 42 -11.039 25.994 -32.867 1.00 1.43 H new ATOM 0 HB3 ALA A 42 -9.528 25.089 -33.122 1.00 1.43 H new ATOM 586 N LEU A 43 -9.383 22.230 -32.528 1.00 61.44 N ATOM 587 CA LEU A 43 -8.765 20.970 -32.941 1.00 20.11 C ATOM 588 C LEU A 43 -9.458 19.792 -32.274 1.00 40.13 C ATOM 589 O LEU A 43 -9.630 18.738 -32.891 1.00 3.32 O ATOM 590 CB LEU A 43 -7.267 20.945 -32.603 1.00 40.43 C ATOM 591 CG LEU A 43 -6.333 21.750 -33.529 1.00 33.22 C ATOM 592 CD1 LEU A 43 -4.913 21.664 -33.007 1.00 11.25 C ATOM 593 CD2 LEU A 43 -6.379 21.227 -34.974 1.00 44.20 C ATOM 0 H LEU A 43 -8.789 22.820 -31.946 1.00 61.44 H new ATOM 0 HA LEU A 43 -8.877 20.889 -34.022 1.00 20.11 H new ATOM 0 HB2 LEU A 43 -7.142 21.318 -31.586 1.00 40.43 H new ATOM 0 HB3 LEU A 43 -6.935 19.907 -32.605 1.00 40.43 H new ATOM 0 HG LEU A 43 -6.673 22.786 -33.535 1.00 33.22 H new ATOM 0 HD11 LEU A 43 -4.250 22.232 -33.660 1.00 11.25 H new ATOM 0 HD12 LEU A 43 -4.870 22.076 -31.999 1.00 11.25 H new ATOM 0 HD13 LEU A 43 -4.595 20.621 -32.986 1.00 11.25 H new ATOM 0 HD21 LEU A 43 -5.708 21.819 -35.597 1.00 44.20 H new ATOM 0 HD22 LEU A 43 -6.066 20.183 -34.993 1.00 44.20 H new ATOM 0 HD23 LEU A 43 -7.396 21.308 -35.358 1.00 44.20 H new ATOM 605 N ALA A 44 -9.888 19.976 -31.035 1.00 32.33 N ATOM 606 CA ALA A 44 -10.562 18.911 -30.291 1.00 61.55 C ATOM 607 C ALA A 44 -11.802 18.385 -31.031 1.00 32.44 C ATOM 608 O ALA A 44 -12.061 17.189 -31.046 1.00 75.24 O ATOM 609 CB ALA A 44 -10.958 19.427 -28.900 1.00 43.24 C ATOM 0 H ALA A 44 -9.785 20.850 -30.520 1.00 32.33 H new ATOM 0 HA ALA A 44 -9.865 18.079 -30.194 1.00 61.55 H new ATOM 0 HB1 ALA A 44 -11.460 18.633 -28.347 1.00 43.24 H new ATOM 0 HB2 ALA A 44 -10.064 19.737 -28.359 1.00 43.24 H new ATOM 0 HB3 ALA A 44 -11.632 20.277 -29.006 1.00 43.24 H new ATOM 615 N MET A 45 -12.526 19.263 -31.680 1.00 33.53 N ATOM 616 CA MET A 45 -13.720 18.862 -32.440 1.00 23.54 C ATOM 617 C MET A 45 -13.380 17.912 -33.597 1.00 53.22 C ATOM 618 O MET A 45 -14.161 17.007 -33.927 1.00 61.31 O ATOM 619 CB MET A 45 -14.428 20.093 -32.996 1.00 31.30 C ATOM 620 CG MET A 45 -15.102 20.939 -31.922 1.00 14.12 C ATOM 621 SD MET A 45 -16.426 20.044 -31.087 1.00 75.34 S ATOM 622 CE MET A 45 -17.117 21.331 -30.044 1.00 51.34 C ATOM 0 H MET A 45 -12.323 20.262 -31.707 1.00 33.53 H new ATOM 0 HA MET A 45 -14.374 18.332 -31.748 1.00 23.54 H new ATOM 0 HB2 MET A 45 -13.705 20.708 -33.532 1.00 31.30 H new ATOM 0 HB3 MET A 45 -15.177 19.776 -33.722 1.00 31.30 H new ATOM 0 HG2 MET A 45 -14.359 21.253 -31.189 1.00 14.12 H new ATOM 0 HG3 MET A 45 -15.506 21.844 -32.375 1.00 14.12 H new ATOM 0 HE1 MET A 45 -17.947 20.925 -29.467 1.00 51.34 H new ATOM 0 HE2 MET A 45 -16.349 21.700 -29.364 1.00 51.34 H new ATOM 0 HE3 MET A 45 -17.475 22.151 -30.667 1.00 51.34 H new ATOM 632 N ARG A 46 -12.210 18.080 -34.199 1.00 44.23 N ATOM 633 CA ARG A 46 -11.798 17.195 -35.301 1.00 61.14 C ATOM 634 C ARG A 46 -11.410 15.838 -34.747 1.00 74.12 C ATOM 635 O ARG A 46 -11.640 14.822 -35.388 1.00 61.43 O ATOM 636 CB ARG A 46 -10.602 17.767 -36.065 1.00 43.14 C ATOM 637 CG ARG A 46 -10.900 19.016 -36.865 1.00 60.41 C ATOM 638 CD ARG A 46 -10.112 20.186 -36.321 1.00 51.34 C ATOM 639 NE ARG A 46 -10.204 21.374 -37.187 1.00 43.22 N ATOM 640 CZ ARG A 46 -9.292 21.744 -38.084 1.00 55.04 C ATOM 641 NH1 ARG A 46 -8.188 21.063 -38.291 1.00 61.24 N ATOM 642 NH2 ARG A 46 -9.491 22.825 -38.782 1.00 44.43 N ATOM 0 H ARG A 46 -11.535 18.804 -33.955 1.00 44.23 H new ATOM 0 HA ARG A 46 -12.642 17.106 -35.985 1.00 61.14 H new ATOM 0 HB2 ARG A 46 -9.807 17.989 -35.354 1.00 43.14 H new ATOM 0 HB3 ARG A 46 -10.221 17.002 -36.741 1.00 43.14 H new ATOM 0 HG2 ARG A 46 -10.647 18.854 -37.913 1.00 60.41 H new ATOM 0 HG3 ARG A 46 -11.967 19.237 -36.825 1.00 60.41 H new ATOM 0 HD2 ARG A 46 -10.478 20.436 -35.325 1.00 51.34 H new ATOM 0 HD3 ARG A 46 -9.066 19.898 -36.213 1.00 51.34 H new ATOM 0 HE ARG A 46 -11.033 21.960 -37.092 1.00 43.22 H new ATOM 0 HH11 ARG A 46 -8.003 20.215 -37.754 1.00 61.24 H new ATOM 0 HH12 ARG A 46 -7.515 21.382 -38.988 1.00 61.24 H new ATOM 0 HH21 ARG A 46 -10.337 23.376 -38.638 1.00 44.43 H new ATOM 0 HH22 ARG A 46 -8.801 23.120 -39.473 1.00 44.43 H new ATOM 656 N LEU A 47 -10.842 15.818 -33.552 1.00 63.34 N ATOM 657 CA LEU A 47 -10.453 14.559 -32.917 1.00 62.41 C ATOM 658 C LEU A 47 -11.689 13.748 -32.573 1.00 73.20 C ATOM 659 O LEU A 47 -11.757 12.558 -32.833 1.00 64.34 O ATOM 660 CB LEU A 47 -9.633 14.839 -31.662 1.00 10.22 C ATOM 661 CG LEU A 47 -8.517 13.817 -31.385 1.00 24.11 C ATOM 662 CD1 LEU A 47 -7.457 14.518 -30.589 1.00 4.31 C ATOM 663 CD2 LEU A 47 -8.941 12.592 -30.641 1.00 20.03 C ATOM 0 H LEU A 47 -10.639 16.652 -33.001 1.00 63.34 H new ATOM 0 HA LEU A 47 -9.841 13.984 -33.611 1.00 62.41 H new ATOM 0 HB2 LEU A 47 -9.187 15.830 -31.749 1.00 10.22 H new ATOM 0 HB3 LEU A 47 -10.304 14.866 -30.804 1.00 10.22 H new ATOM 0 HG LEU A 47 -8.171 13.460 -32.355 1.00 24.11 H new ATOM 0 HD11 LEU A 47 -6.646 13.823 -30.372 1.00 4.31 H new ATOM 0 HD12 LEU A 47 -7.070 15.361 -31.161 1.00 4.31 H new ATOM 0 HD13 LEU A 47 -7.884 14.880 -29.654 1.00 4.31 H new ATOM 0 HD21 LEU A 47 -8.081 11.938 -30.498 1.00 20.03 H new ATOM 0 HD22 LEU A 47 -9.345 12.878 -29.670 1.00 20.03 H new ATOM 0 HD23 LEU A 47 -9.706 12.066 -31.212 1.00 20.03 H new ATOM 675 N ILE A 48 -12.693 14.419 -32.035 1.00 5.41 N ATOM 676 CA ILE A 48 -13.963 13.775 -31.699 1.00 43.34 C ATOM 677 C ILE A 48 -14.604 13.233 -32.979 1.00 44.32 C ATOM 678 O ILE A 48 -15.171 12.143 -32.990 1.00 63.24 O ATOM 679 CB ILE A 48 -14.907 14.786 -30.985 1.00 20.24 C ATOM 680 CG1 ILE A 48 -14.304 15.178 -29.621 1.00 71.44 C ATOM 681 CG2 ILE A 48 -16.323 14.184 -30.794 1.00 71.33 C ATOM 682 CD1 ILE A 48 -14.879 16.444 -29.026 1.00 1.04 C ATOM 0 H ILE A 48 -12.658 15.415 -31.818 1.00 5.41 H new ATOM 0 HA ILE A 48 -13.786 12.946 -31.014 1.00 43.34 H new ATOM 0 HB ILE A 48 -15.003 15.675 -31.608 1.00 20.24 H new ATOM 0 HG12 ILE A 48 -14.459 14.358 -28.920 1.00 71.44 H new ATOM 0 HG13 ILE A 48 -13.227 15.301 -29.735 1.00 71.44 H new ATOM 0 HG21 ILE A 48 -16.963 14.911 -30.293 1.00 71.33 H new ATOM 0 HG22 ILE A 48 -16.748 13.937 -31.767 1.00 71.33 H new ATOM 0 HG23 ILE A 48 -16.256 13.281 -30.188 1.00 71.33 H new ATOM 0 HD11 ILE A 48 -14.400 16.646 -28.068 1.00 1.04 H new ATOM 0 HD12 ILE A 48 -14.701 17.278 -29.704 1.00 1.04 H new ATOM 0 HD13 ILE A 48 -15.952 16.321 -28.876 1.00 1.04 H new ATOM 694 N ALA A 49 -14.471 13.970 -34.069 1.00 54.24 N ATOM 695 CA ALA A 49 -15.002 13.511 -35.349 1.00 5.21 C ATOM 696 C ALA A 49 -14.264 12.271 -35.840 1.00 0.31 C ATOM 697 O ALA A 49 -14.876 11.334 -36.288 1.00 41.41 O ATOM 698 CB ALA A 49 -14.927 14.637 -36.395 1.00 32.31 C ATOM 0 H ALA A 49 -14.007 14.878 -34.098 1.00 54.24 H new ATOM 0 HA ALA A 49 -16.048 13.240 -35.203 1.00 5.21 H new ATOM 0 HB1 ALA A 49 -15.327 14.279 -37.344 1.00 32.31 H new ATOM 0 HB2 ALA A 49 -15.513 15.491 -36.053 1.00 32.31 H new ATOM 0 HB3 ALA A 49 -13.889 14.940 -36.530 1.00 32.31 H new ATOM 704 N ARG A 50 -12.937 12.250 -35.739 1.00 1.42 N ATOM 705 CA ARG A 50 -12.156 11.082 -36.171 1.00 1.30 C ATOM 706 C ARG A 50 -12.507 9.883 -35.354 1.00 72.22 C ATOM 707 O ARG A 50 -12.610 8.790 -35.864 1.00 30.53 O ATOM 708 CB ARG A 50 -10.646 11.357 -35.994 1.00 72.30 C ATOM 709 CG ARG A 50 -9.850 11.629 -37.243 1.00 51.43 C ATOM 710 CD ARG A 50 -10.266 12.955 -37.958 1.00 25.32 C ATOM 711 NE ARG A 50 -9.339 13.233 -39.078 1.00 3.12 N ATOM 712 CZ ARG A 50 -9.580 12.987 -40.365 1.00 33.22 C ATOM 713 NH1 ARG A 50 -10.710 12.474 -40.790 1.00 20.55 N ATOM 714 NH2 ARG A 50 -8.655 13.265 -41.246 1.00 15.41 N ATOM 0 H ARG A 50 -12.379 13.018 -35.366 1.00 1.42 H new ATOM 0 HA ARG A 50 -12.387 10.896 -37.220 1.00 1.30 H new ATOM 0 HB2 ARG A 50 -10.533 12.212 -35.327 1.00 72.30 H new ATOM 0 HB3 ARG A 50 -10.202 10.499 -35.490 1.00 72.30 H new ATOM 0 HG2 ARG A 50 -8.791 11.677 -36.989 1.00 51.43 H new ATOM 0 HG3 ARG A 50 -9.974 10.796 -37.935 1.00 51.43 H new ATOM 0 HD2 ARG A 50 -11.287 12.873 -38.331 1.00 25.32 H new ATOM 0 HD3 ARG A 50 -10.251 13.782 -37.248 1.00 25.32 H new ATOM 0 HE ARG A 50 -8.438 13.649 -38.844 1.00 3.12 H new ATOM 0 HH11 ARG A 50 -11.449 12.246 -40.125 1.00 20.55 H new ATOM 0 HH12 ARG A 50 -10.850 12.303 -41.786 1.00 20.55 H new ATOM 0 HH21 ARG A 50 -7.766 13.664 -40.944 1.00 15.41 H new ATOM 0 HH22 ARG A 50 -8.822 13.083 -42.236 1.00 15.41 H new ATOM 728 N ILE A 51 -12.668 10.087 -34.061 1.00 54.12 N ATOM 729 CA ILE A 51 -12.992 9.014 -33.174 1.00 20.25 C ATOM 730 C ILE A 51 -14.275 8.263 -33.580 1.00 52.21 C ATOM 731 O ILE A 51 -14.341 7.053 -33.487 1.00 42.15 O ATOM 732 CB ILE A 51 -13.082 9.493 -31.685 1.00 30.44 C ATOM 733 CG1 ILE A 51 -11.664 9.699 -31.118 1.00 74.04 C ATOM 734 CG2 ILE A 51 -13.847 8.458 -30.826 1.00 71.21 C ATOM 735 CD1 ILE A 51 -11.597 10.434 -29.807 1.00 51.24 C ATOM 0 H ILE A 51 -12.576 10.997 -33.610 1.00 54.12 H new ATOM 0 HA ILE A 51 -12.167 8.306 -33.257 1.00 20.25 H new ATOM 0 HB ILE A 51 -13.625 10.438 -31.654 1.00 30.44 H new ATOM 0 HG12 ILE A 51 -11.195 8.723 -30.993 1.00 74.04 H new ATOM 0 HG13 ILE A 51 -11.072 10.245 -31.853 1.00 74.04 H new ATOM 0 HG21 ILE A 51 -13.899 8.808 -29.795 1.00 71.21 H new ATOM 0 HG22 ILE A 51 -14.856 8.334 -31.219 1.00 71.21 H new ATOM 0 HG23 ILE A 51 -13.325 7.502 -30.858 1.00 71.21 H new ATOM 0 HD11 ILE A 51 -10.557 10.527 -29.495 1.00 51.24 H new ATOM 0 HD12 ILE A 51 -12.031 11.427 -29.924 1.00 51.24 H new ATOM 0 HD13 ILE A 51 -12.155 9.881 -29.051 1.00 51.24 H new ATOM 747 N ARG A 52 -15.242 8.980 -34.149 1.00 72.21 N ATOM 748 CA ARG A 52 -16.478 8.322 -34.600 1.00 24.14 C ATOM 749 C ARG A 52 -16.273 7.350 -35.738 1.00 32.13 C ATOM 750 O ARG A 52 -16.979 6.396 -35.884 1.00 22.22 O ATOM 751 CB ARG A 52 -17.513 9.335 -35.040 1.00 74.32 C ATOM 752 CG ARG A 52 -18.058 10.179 -33.912 1.00 32.43 C ATOM 753 CD ARG A 52 -19.219 11.007 -34.404 1.00 2.43 C ATOM 754 NE ARG A 52 -18.856 12.414 -34.629 1.00 10.22 N ATOM 755 CZ ARG A 52 -18.862 13.028 -35.808 1.00 43.25 C ATOM 756 NH1 ARG A 52 -19.175 12.421 -36.929 1.00 72.50 N ATOM 757 NH2 ARG A 52 -18.546 14.293 -35.856 1.00 55.42 N ATOM 0 H ARG A 52 -15.203 9.987 -34.308 1.00 72.21 H new ATOM 0 HA ARG A 52 -16.823 7.764 -33.730 1.00 24.14 H new ATOM 0 HB2 ARG A 52 -17.071 9.990 -35.790 1.00 74.32 H new ATOM 0 HB3 ARG A 52 -18.339 8.811 -35.521 1.00 74.32 H new ATOM 0 HG2 ARG A 52 -18.379 9.539 -33.090 1.00 32.43 H new ATOM 0 HG3 ARG A 52 -17.275 10.830 -33.522 1.00 32.43 H new ATOM 0 HD2 ARG A 52 -19.597 10.580 -35.333 1.00 2.43 H new ATOM 0 HD3 ARG A 52 -20.030 10.957 -33.677 1.00 2.43 H new ATOM 0 HE ARG A 52 -18.577 12.963 -33.816 1.00 10.22 H new ATOM 0 HH11 ARG A 52 -19.429 11.433 -36.920 1.00 72.50 H new ATOM 0 HH12 ARG A 52 -19.164 12.937 -37.809 1.00 72.50 H new ATOM 0 HH21 ARG A 52 -18.301 14.790 -35.000 1.00 55.42 H new ATOM 0 HH22 ARG A 52 -18.544 14.785 -36.750 1.00 55.42 H new ATOM 771 N GLU A 53 -15.318 7.665 -36.591 1.00 75.21 N ATOM 772 CA GLU A 53 -15.052 6.875 -37.806 1.00 61.14 C ATOM 773 C GLU A 53 -14.255 5.627 -37.393 1.00 75.22 C ATOM 774 O GLU A 53 -14.391 4.546 -37.954 1.00 54.42 O ATOM 775 CB GLU A 53 -14.232 7.658 -38.778 1.00 53.42 C ATOM 776 CG GLU A 53 -14.738 9.121 -38.978 1.00 51.24 C ATOM 777 CD GLU A 53 -16.157 9.182 -39.485 1.00 2.33 C ATOM 778 OE1 GLU A 53 -16.444 8.591 -40.558 1.00 70.41 O ATOM 779 OE2 GLU A 53 -16.972 9.915 -38.885 1.00 12.31 O ATOM 0 H GLU A 53 -14.701 8.469 -36.474 1.00 75.21 H new ATOM 0 HA GLU A 53 -15.998 6.610 -38.278 1.00 61.14 H new ATOM 0 HB2 GLU A 53 -13.198 7.683 -38.433 1.00 53.42 H new ATOM 0 HB3 GLU A 53 -14.235 7.146 -39.740 1.00 53.42 H new ATOM 0 HG2 GLU A 53 -14.672 9.657 -38.031 1.00 51.24 H new ATOM 0 HG3 GLU A 53 -14.083 9.635 -39.681 1.00 51.24 H new ATOM 786 N GLU A 54 -13.365 5.840 -36.432 1.00 64.52 N ATOM 787 CA GLU A 54 -12.375 4.868 -36.065 1.00 52.43 C ATOM 788 C GLU A 54 -12.880 3.920 -34.955 1.00 45.41 C ATOM 789 O GLU A 54 -12.755 2.713 -35.068 1.00 22.22 O ATOM 790 CB GLU A 54 -11.188 5.706 -35.624 1.00 54.02 C ATOM 791 CG GLU A 54 -10.164 5.040 -34.870 1.00 52.32 C ATOM 792 CD GLU A 54 -9.262 4.162 -35.712 1.00 45.53 C ATOM 793 OE1 GLU A 54 -8.669 4.703 -36.702 1.00 41.34 O ATOM 794 OE2 GLU A 54 -9.065 3.004 -35.369 1.00 52.22 O ATOM 0 H GLU A 54 -13.320 6.702 -35.889 1.00 64.52 H new ATOM 0 HA GLU A 54 -12.119 4.198 -36.886 1.00 52.43 H new ATOM 0 HB2 GLU A 54 -10.728 6.136 -36.514 1.00 54.02 H new ATOM 0 HB3 GLU A 54 -11.563 6.536 -35.026 1.00 54.02 H new ATOM 0 HG2 GLU A 54 -9.556 5.788 -34.360 1.00 52.32 H new ATOM 0 HG3 GLU A 54 -10.632 4.430 -34.098 1.00 52.32 H new ATOM 801 N LEU A 55 -13.452 4.480 -33.888 1.00 52.34 N ATOM 802 CA LEU A 55 -13.924 3.687 -32.764 1.00 14.21 C ATOM 803 C LEU A 55 -15.437 3.442 -32.844 1.00 73.53 C ATOM 804 O LEU A 55 -16.008 2.693 -32.063 1.00 42.03 O ATOM 805 CB LEU A 55 -13.632 4.339 -31.415 1.00 45.41 C ATOM 806 CG LEU A 55 -12.163 4.712 -31.099 1.00 20.03 C ATOM 807 CD1 LEU A 55 -12.088 5.303 -29.672 1.00 31.22 C ATOM 808 CD2 LEU A 55 -11.223 3.523 -31.181 1.00 52.11 C ATOM 0 H LEU A 55 -13.598 5.484 -33.783 1.00 52.34 H new ATOM 0 HA LEU A 55 -13.379 2.745 -32.832 1.00 14.21 H new ATOM 0 HB2 LEU A 55 -14.231 5.247 -31.345 1.00 45.41 H new ATOM 0 HB3 LEU A 55 -13.982 3.665 -30.634 1.00 45.41 H new ATOM 0 HG LEU A 55 -11.846 5.437 -31.849 1.00 20.03 H new ATOM 0 HD11 LEU A 55 -11.056 5.568 -29.442 1.00 31.22 H new ATOM 0 HD12 LEU A 55 -12.713 6.194 -29.614 1.00 31.22 H new ATOM 0 HD13 LEU A 55 -12.442 4.564 -28.953 1.00 31.22 H new ATOM 0 HD21 LEU A 55 -10.208 3.845 -30.950 1.00 52.11 H new ATOM 0 HD22 LEU A 55 -11.534 2.763 -30.465 1.00 52.11 H new ATOM 0 HD23 LEU A 55 -11.251 3.106 -32.188 1.00 52.11 H new ATOM 820 N GLY A 56 -16.071 4.126 -33.786 1.00 52.40 N ATOM 821 CA GLY A 56 -17.510 3.942 -33.995 1.00 0.43 C ATOM 822 C GLY A 56 -18.414 4.593 -32.959 1.00 4.13 C ATOM 823 O GLY A 56 -19.576 4.209 -32.833 1.00 74.33 O ATOM 0 H GLY A 56 -15.628 4.801 -34.409 1.00 52.40 H new ATOM 0 HA2 GLY A 56 -17.770 4.337 -34.977 1.00 0.43 H new ATOM 0 HA3 GLY A 56 -17.722 2.873 -34.015 1.00 0.43 H new ATOM 827 N VAL A 57 -17.897 5.555 -32.203 1.00 42.02 N ATOM 828 CA VAL A 57 -18.661 6.192 -31.122 1.00 25.11 C ATOM 829 C VAL A 57 -18.328 7.671 -31.038 1.00 10.02 C ATOM 830 O VAL A 57 -17.248 8.094 -31.438 1.00 32.14 O ATOM 831 CB VAL A 57 -18.341 5.550 -29.720 1.00 24.43 C ATOM 832 CG1 VAL A 57 -18.847 4.102 -29.651 1.00 34.41 C ATOM 833 CG2 VAL A 57 -16.826 5.575 -29.423 1.00 5.15 C ATOM 0 H VAL A 57 -16.950 5.916 -32.315 1.00 42.02 H new ATOM 0 HA VAL A 57 -19.715 6.043 -31.357 1.00 25.11 H new ATOM 0 HB VAL A 57 -18.857 6.148 -28.969 1.00 24.43 H new ATOM 0 HG11 VAL A 57 -18.614 3.681 -28.673 1.00 34.41 H new ATOM 0 HG12 VAL A 57 -19.926 4.086 -29.805 1.00 34.41 H new ATOM 0 HG13 VAL A 57 -18.361 3.509 -30.426 1.00 34.41 H new ATOM 0 HG21 VAL A 57 -16.639 5.125 -28.448 1.00 5.15 H new ATOM 0 HG22 VAL A 57 -16.295 5.012 -30.191 1.00 5.15 H new ATOM 0 HG23 VAL A 57 -16.473 6.606 -29.420 1.00 5.15 H new ATOM 843 N ASP A 58 -19.239 8.468 -30.505 1.00 31.11 N ATOM 844 CA ASP A 58 -18.970 9.889 -30.299 1.00 51.35 C ATOM 845 C ASP A 58 -18.204 10.053 -28.993 1.00 24.22 C ATOM 846 O ASP A 58 -18.641 9.617 -27.934 1.00 71.15 O ATOM 847 CB ASP A 58 -20.270 10.715 -30.293 1.00 42.12 C ATOM 848 CG ASP A 58 -21.222 10.325 -29.164 1.00 65.41 C ATOM 849 OD1 ASP A 58 -21.674 9.153 -29.136 1.00 30.30 O ATOM 850 OD2 ASP A 58 -21.578 11.211 -28.357 1.00 41.42 O ATOM 0 H ASP A 58 -20.166 8.162 -30.208 1.00 31.11 H new ATOM 0 HA ASP A 58 -18.368 10.266 -31.125 1.00 51.35 H new ATOM 0 HB2 ASP A 58 -20.021 11.772 -30.202 1.00 42.12 H new ATOM 0 HB3 ASP A 58 -20.778 10.589 -31.249 1.00 42.12 H new ATOM 855 N LEU A 59 -17.023 10.648 -29.074 1.00 21.54 N ATOM 856 CA LEU A 59 -16.210 10.839 -27.878 1.00 32.22 C ATOM 857 C LEU A 59 -16.910 11.879 -26.993 1.00 75.04 C ATOM 858 O LEU A 59 -17.127 13.019 -27.424 1.00 53.51 O ATOM 859 CB LEU A 59 -14.802 11.319 -28.251 1.00 1.21 C ATOM 860 CG LEU A 59 -13.683 11.353 -27.180 1.00 23.50 C ATOM 861 CD1 LEU A 59 -13.888 12.363 -26.086 1.00 20.20 C ATOM 862 CD2 LEU A 59 -13.471 9.976 -26.560 1.00 31.50 C ATOM 0 H LEU A 59 -16.610 11.002 -29.937 1.00 21.54 H new ATOM 0 HA LEU A 59 -16.105 9.895 -27.344 1.00 32.22 H new ATOM 0 HB2 LEU A 59 -14.450 10.687 -29.067 1.00 1.21 H new ATOM 0 HB3 LEU A 59 -14.899 12.329 -28.649 1.00 1.21 H new ATOM 0 HG LEU A 59 -12.794 11.666 -27.728 1.00 23.50 H new ATOM 0 HD11 LEU A 59 -13.055 12.313 -25.384 1.00 20.20 H new ATOM 0 HD12 LEU A 59 -13.939 13.362 -26.518 1.00 20.20 H new ATOM 0 HD13 LEU A 59 -14.818 12.147 -25.561 1.00 20.20 H new ATOM 0 HD21 LEU A 59 -12.680 10.032 -25.812 1.00 31.50 H new ATOM 0 HD22 LEU A 59 -14.395 9.644 -26.087 1.00 31.50 H new ATOM 0 HD23 LEU A 59 -13.186 9.267 -27.337 1.00 31.50 H new ATOM 874 N PRO A 60 -17.246 11.516 -25.741 1.00 62.44 N ATOM 875 CA PRO A 60 -17.864 12.512 -24.860 1.00 71.22 C ATOM 876 C PRO A 60 -16.905 13.656 -24.553 1.00 75.34 C ATOM 877 O PRO A 60 -15.915 13.468 -23.839 1.00 54.33 O ATOM 878 CB PRO A 60 -18.178 11.708 -23.581 1.00 52.14 C ATOM 879 CG PRO A 60 -18.108 10.281 -23.986 1.00 4.25 C ATOM 880 CD PRO A 60 -17.077 10.220 -25.064 1.00 42.41 C ATOM 0 HA PRO A 60 -18.743 12.978 -25.305 1.00 71.22 H new ATOM 0 HB2 PRO A 60 -17.459 11.928 -22.792 1.00 52.14 H new ATOM 0 HB3 PRO A 60 -19.165 11.958 -23.192 1.00 52.14 H new ATOM 0 HG2 PRO A 60 -17.832 9.647 -23.143 1.00 4.25 H new ATOM 0 HG3 PRO A 60 -19.074 9.928 -24.347 1.00 4.25 H new ATOM 0 HD2 PRO A 60 -16.072 10.102 -24.658 1.00 42.41 H new ATOM 0 HD3 PRO A 60 -17.247 9.383 -25.741 1.00 42.41 H new ATOM 888 N ILE A 61 -17.189 14.846 -25.065 1.00 72.13 N ATOM 889 CA ILE A 61 -16.293 15.995 -24.865 1.00 1.51 C ATOM 890 C ILE A 61 -16.086 16.319 -23.375 1.00 4.32 C ATOM 891 O ILE A 61 -15.042 16.820 -22.976 1.00 74.35 O ATOM 892 CB ILE A 61 -16.805 17.231 -25.666 1.00 45.42 C ATOM 893 CG1 ILE A 61 -15.659 18.254 -25.839 1.00 62.30 C ATOM 894 CG2 ILE A 61 -18.053 17.871 -25.014 1.00 1.02 C ATOM 895 CD1 ILE A 61 -15.939 19.345 -26.887 1.00 32.33 C ATOM 0 H ILE A 61 -18.022 15.048 -25.618 1.00 72.13 H new ATOM 0 HA ILE A 61 -15.312 15.724 -25.254 1.00 1.51 H new ATOM 0 HB ILE A 61 -17.120 16.892 -26.653 1.00 45.42 H new ATOM 0 HG12 ILE A 61 -15.465 18.731 -24.878 1.00 62.30 H new ATOM 0 HG13 ILE A 61 -14.751 17.721 -26.120 1.00 62.30 H new ATOM 0 HG21 ILE A 61 -18.374 18.728 -25.606 1.00 1.02 H new ATOM 0 HG22 ILE A 61 -18.858 17.137 -24.972 1.00 1.02 H new ATOM 0 HG23 ILE A 61 -17.808 18.199 -24.004 1.00 1.02 H new ATOM 0 HD11 ILE A 61 -15.086 20.021 -26.946 1.00 32.33 H new ATOM 0 HD12 ILE A 61 -16.103 18.882 -27.860 1.00 32.33 H new ATOM 0 HD13 ILE A 61 -16.827 19.907 -26.599 1.00 32.33 H new ATOM 907 N ARG A 62 -17.037 15.932 -22.535 1.00 14.14 N ATOM 908 CA ARG A 62 -16.881 16.079 -21.089 1.00 73.25 C ATOM 909 C ARG A 62 -15.670 15.286 -20.587 1.00 61.05 C ATOM 910 O ARG A 62 -14.956 15.733 -19.708 1.00 51.53 O ATOM 911 CB ARG A 62 -18.142 15.559 -20.380 1.00 3.33 C ATOM 912 CG ARG A 62 -18.656 16.463 -19.217 1.00 24.23 C ATOM 913 CD ARG A 62 -17.607 16.738 -18.130 1.00 55.04 C ATOM 914 NE ARG A 62 -17.102 15.513 -17.489 1.00 61.12 N ATOM 915 CZ ARG A 62 -17.501 15.021 -16.324 1.00 54.24 C ATOM 916 NH1 ARG A 62 -18.409 15.606 -15.572 1.00 34.11 N ATOM 917 NH2 ARG A 62 -16.985 13.910 -15.908 1.00 33.42 N ATOM 0 H ARG A 62 -17.922 15.515 -22.826 1.00 14.14 H new ATOM 0 HA ARG A 62 -16.730 17.136 -20.868 1.00 73.25 H new ATOM 0 HB2 ARG A 62 -18.938 15.451 -21.117 1.00 3.33 H new ATOM 0 HB3 ARG A 62 -17.936 14.564 -19.985 1.00 3.33 H new ATOM 0 HG2 ARG A 62 -18.993 17.413 -19.631 1.00 24.23 H new ATOM 0 HG3 ARG A 62 -19.524 15.989 -18.758 1.00 24.23 H new ATOM 0 HD2 ARG A 62 -16.771 17.281 -18.570 1.00 55.04 H new ATOM 0 HD3 ARG A 62 -18.043 17.386 -17.369 1.00 55.04 H new ATOM 0 HE ARG A 62 -16.378 14.995 -17.987 1.00 61.12 H new ATOM 0 HH11 ARG A 62 -18.840 16.478 -15.878 1.00 34.11 H new ATOM 0 HH12 ARG A 62 -18.682 15.187 -14.683 1.00 34.11 H new ATOM 0 HH21 ARG A 62 -16.285 13.430 -16.473 1.00 33.42 H new ATOM 0 HH22 ARG A 62 -17.278 13.515 -15.015 1.00 33.42 H new ATOM 931 N GLN A 63 -15.460 14.100 -21.122 1.00 3.40 N ATOM 932 CA GLN A 63 -14.380 13.237 -20.680 1.00 25.10 C ATOM 933 C GLN A 63 -13.060 13.730 -21.256 1.00 2.52 C ATOM 934 O GLN A 63 -12.036 13.648 -20.604 1.00 1.53 O ATOM 935 CB GLN A 63 -14.653 11.793 -21.084 1.00 21.34 C ATOM 936 CG GLN A 63 -15.371 10.985 -19.984 1.00 53.11 C ATOM 937 CD GLN A 63 -16.567 11.711 -19.418 1.00 72.31 C ATOM 938 OE1 GLN A 63 -16.457 12.462 -18.433 1.00 74.34 O ATOM 939 NE2 GLN A 63 -17.728 11.495 -19.987 1.00 52.12 N ATOM 0 H GLN A 63 -16.029 13.708 -21.872 1.00 3.40 H new ATOM 0 HA GLN A 63 -14.316 13.270 -19.592 1.00 25.10 H new ATOM 0 HB2 GLN A 63 -15.260 11.783 -21.989 1.00 21.34 H new ATOM 0 HB3 GLN A 63 -13.709 11.305 -21.328 1.00 21.34 H new ATOM 0 HG2 GLN A 63 -15.692 10.027 -20.393 1.00 53.11 H new ATOM 0 HG3 GLN A 63 -14.668 10.769 -19.180 1.00 53.11 H new ATOM 0 HE21 GLN A 63 -17.793 10.875 -20.794 1.00 52.12 H new ATOM 0 HE22 GLN A 63 -18.567 11.947 -19.623 1.00 52.12 H new ATOM 948 N LEU A 64 -13.117 14.332 -22.438 1.00 12.35 N ATOM 949 CA LEU A 64 -11.909 14.881 -23.057 1.00 14.10 C ATOM 950 C LEU A 64 -11.354 16.026 -22.223 1.00 41.35 C ATOM 951 O LEU A 64 -10.169 16.086 -21.944 1.00 21.40 O ATOM 952 CB LEU A 64 -12.213 15.383 -24.462 1.00 44.43 C ATOM 953 CG LEU A 64 -10.977 15.766 -25.300 1.00 52.14 C ATOM 954 CD1 LEU A 64 -10.077 14.542 -25.568 1.00 51.32 C ATOM 955 CD2 LEU A 64 -11.441 16.379 -26.620 1.00 41.32 C ATOM 0 H LEU A 64 -13.971 14.453 -22.983 1.00 12.35 H new ATOM 0 HA LEU A 64 -11.166 14.085 -23.111 1.00 14.10 H new ATOM 0 HB2 LEU A 64 -12.769 14.612 -24.995 1.00 44.43 H new ATOM 0 HB3 LEU A 64 -12.866 16.253 -24.387 1.00 44.43 H new ATOM 0 HG LEU A 64 -10.386 16.491 -24.741 1.00 52.14 H new ATOM 0 HD11 LEU A 64 -9.215 14.847 -26.161 1.00 51.32 H new ATOM 0 HD12 LEU A 64 -9.736 14.126 -24.620 1.00 51.32 H new ATOM 0 HD13 LEU A 64 -10.643 13.786 -26.113 1.00 51.32 H new ATOM 0 HD21 LEU A 64 -10.573 16.653 -27.219 1.00 41.32 H new ATOM 0 HD22 LEU A 64 -12.044 15.654 -27.166 1.00 41.32 H new ATOM 0 HD23 LEU A 64 -12.038 17.269 -26.418 1.00 41.32 H new ATOM 967 N PHE A 65 -12.217 16.943 -21.819 1.00 10.12 N ATOM 968 CA PHE A 65 -11.758 18.082 -21.029 1.00 12.30 C ATOM 969 C PHE A 65 -11.419 17.683 -19.592 1.00 45.44 C ATOM 970 O PHE A 65 -10.600 18.330 -18.956 1.00 44.33 O ATOM 971 CB PHE A 65 -12.820 19.186 -21.024 1.00 52.13 C ATOM 972 CG PHE A 65 -13.062 19.827 -22.382 1.00 74.04 C ATOM 973 CD1 PHE A 65 -12.081 19.805 -23.407 1.00 1.40 C ATOM 974 CD2 PHE A 65 -14.279 20.495 -22.630 1.00 73.51 C ATOM 975 CE1 PHE A 65 -12.322 20.436 -24.657 1.00 21.52 C ATOM 976 CE2 PHE A 65 -14.519 21.138 -23.873 1.00 33.20 C ATOM 977 CZ PHE A 65 -13.537 21.106 -24.885 1.00 2.14 C ATOM 0 H PHE A 65 -13.217 16.927 -22.017 1.00 10.12 H new ATOM 0 HA PHE A 65 -10.846 18.454 -21.495 1.00 12.30 H new ATOM 0 HB2 PHE A 65 -13.759 18.769 -20.659 1.00 52.13 H new ATOM 0 HB3 PHE A 65 -12.519 19.960 -20.318 1.00 52.13 H new ATOM 0 HD1 PHE A 65 -11.140 19.303 -23.235 1.00 1.40 H new ATOM 0 HD2 PHE A 65 -15.039 20.518 -21.863 1.00 73.51 H new ATOM 0 HE1 PHE A 65 -11.571 20.401 -25.433 1.00 21.52 H new ATOM 0 HE2 PHE A 65 -15.454 21.652 -24.044 1.00 33.20 H new ATOM 0 HZ PHE A 65 -13.718 21.594 -25.831 1.00 2.14 H new ATOM 987 N SER A 66 -12.027 16.614 -19.093 1.00 31.50 N ATOM 988 CA SER A 66 -11.725 16.136 -17.738 1.00 2.13 C ATOM 989 C SER A 66 -10.381 15.416 -17.705 1.00 54.43 C ATOM 990 O SER A 66 -9.754 15.302 -16.657 1.00 70.44 O ATOM 991 CB SER A 66 -12.800 15.170 -17.253 1.00 45.05 C ATOM 992 OG SER A 66 -14.067 15.803 -17.224 1.00 45.25 O ATOM 0 H SER A 66 -12.724 16.063 -19.594 1.00 31.50 H new ATOM 0 HA SER A 66 -11.692 17.009 -17.086 1.00 2.13 H new ATOM 0 HB2 SER A 66 -12.837 14.301 -17.909 1.00 45.05 H new ATOM 0 HB3 SER A 66 -12.547 14.807 -16.257 1.00 45.05 H new ATOM 0 HG SER A 66 -14.457 15.795 -18.123 1.00 45.25 H new ATOM 998 N SER A 67 -9.964 14.893 -18.848 1.00 43.34 N ATOM 999 CA SER A 67 -8.719 14.142 -18.954 1.00 11.03 C ATOM 1000 C SER A 67 -8.124 14.370 -20.346 1.00 31.21 C ATOM 1001 O SER A 67 -8.389 13.604 -21.263 1.00 71.04 O ATOM 1002 CB SER A 67 -9.002 12.653 -18.741 1.00 31.13 C ATOM 1003 OG SER A 67 -9.595 12.454 -17.466 1.00 52.31 O ATOM 0 H SER A 67 -10.476 14.976 -19.726 1.00 43.34 H new ATOM 0 HA SER A 67 -8.012 14.478 -18.196 1.00 11.03 H new ATOM 0 HB2 SER A 67 -9.666 12.284 -19.523 1.00 31.13 H new ATOM 0 HB3 SER A 67 -8.076 12.083 -18.814 1.00 31.13 H new ATOM 0 HG SER A 67 -9.487 11.518 -17.197 1.00 52.31 H new ATOM 1009 N PRO A 68 -7.316 15.431 -20.516 1.00 20.12 N ATOM 1010 CA PRO A 68 -6.807 15.759 -21.861 1.00 43.14 C ATOM 1011 C PRO A 68 -5.683 14.861 -22.380 1.00 23.15 C ATOM 1012 O PRO A 68 -5.098 15.178 -23.405 1.00 3.30 O ATOM 1013 CB PRO A 68 -6.305 17.195 -21.672 1.00 1.01 C ATOM 1014 CG PRO A 68 -5.838 17.222 -20.280 1.00 34.12 C ATOM 1015 CD PRO A 68 -6.887 16.441 -19.520 1.00 24.30 C ATOM 0 HA PRO A 68 -7.583 15.621 -22.614 1.00 43.14 H new ATOM 0 HB2 PRO A 68 -5.501 17.433 -22.368 1.00 1.01 H new ATOM 0 HB3 PRO A 68 -7.099 17.922 -21.842 1.00 1.01 H new ATOM 0 HG2 PRO A 68 -4.853 16.766 -20.182 1.00 34.12 H new ATOM 0 HG3 PRO A 68 -5.755 18.243 -19.908 1.00 34.12 H new ATOM 0 HD2 PRO A 68 -6.477 15.978 -18.622 1.00 24.30 H new ATOM 0 HD3 PRO A 68 -7.715 17.075 -19.202 1.00 24.30 H new ATOM 1023 N THR A 69 -5.371 13.773 -21.687 1.00 43.14 N ATOM 1024 CA THR A 69 -4.345 12.849 -22.163 1.00 4.22 C ATOM 1025 C THR A 69 -5.018 11.686 -22.868 1.00 23.31 C ATOM 1026 O THR A 69 -6.145 11.325 -22.518 1.00 0.44 O ATOM 1027 CB THR A 69 -3.471 12.309 -21.006 1.00 61.31 C ATOM 1028 OG1 THR A 69 -4.302 11.673 -20.035 1.00 3.34 O ATOM 1029 CG2 THR A 69 -2.752 13.421 -20.314 1.00 2.04 C ATOM 0 H THR A 69 -5.807 13.509 -20.803 1.00 43.14 H new ATOM 0 HA THR A 69 -3.692 13.391 -22.847 1.00 4.22 H new ATOM 0 HB THR A 69 -2.752 11.610 -21.433 1.00 61.31 H new ATOM 0 HG1 THR A 69 -3.747 11.330 -19.304 1.00 3.34 H new ATOM 0 HG21 THR A 69 -2.145 13.014 -19.505 1.00 2.04 H new ATOM 0 HG22 THR A 69 -2.108 13.937 -21.026 1.00 2.04 H new ATOM 0 HG23 THR A 69 -3.477 14.124 -19.905 1.00 2.04 H new ATOM 1037 N PRO A 70 -4.361 11.086 -23.878 1.00 5.52 N ATOM 1038 CA PRO A 70 -5.090 10.042 -24.593 1.00 12.23 C ATOM 1039 C PRO A 70 -5.349 8.786 -23.748 1.00 14.11 C ATOM 1040 O PRO A 70 -6.404 8.152 -23.894 1.00 51.34 O ATOM 1041 CB PRO A 70 -4.177 9.760 -25.795 1.00 63.03 C ATOM 1042 CG PRO A 70 -2.867 10.068 -25.343 1.00 72.51 C ATOM 1043 CD PRO A 70 -3.027 11.295 -24.476 1.00 31.55 C ATOM 0 HA PRO A 70 -6.096 10.354 -24.873 1.00 12.23 H new ATOM 0 HB2 PRO A 70 -4.251 8.719 -26.111 1.00 63.03 H new ATOM 0 HB3 PRO A 70 -4.453 10.374 -26.653 1.00 63.03 H new ATOM 0 HG2 PRO A 70 -2.440 9.239 -24.778 1.00 72.51 H new ATOM 0 HG3 PRO A 70 -2.197 10.262 -26.180 1.00 72.51 H new ATOM 0 HD2 PRO A 70 -2.247 11.361 -23.717 1.00 31.55 H new ATOM 0 HD3 PRO A 70 -2.983 12.214 -25.060 1.00 31.55 H new ATOM 1051 N ALA A 71 -4.473 8.467 -22.807 1.00 64.23 N ATOM 1052 CA ALA A 71 -4.738 7.366 -21.897 1.00 64.10 C ATOM 1053 C ALA A 71 -5.733 7.787 -20.824 1.00 35.24 C ATOM 1054 O ALA A 71 -6.507 6.973 -20.313 1.00 4.23 O ATOM 1055 CB ALA A 71 -3.447 6.887 -21.241 1.00 12.31 C ATOM 0 H ALA A 71 -3.586 8.947 -22.655 1.00 64.23 H new ATOM 0 HA ALA A 71 -5.165 6.547 -22.475 1.00 64.10 H new ATOM 0 HB1 ALA A 71 -3.667 6.062 -20.563 1.00 12.31 H new ATOM 0 HB2 ALA A 71 -2.752 6.549 -22.010 1.00 12.31 H new ATOM 0 HB3 ALA A 71 -2.998 7.707 -20.681 1.00 12.31 H new ATOM 1061 N GLY A 72 -5.727 9.063 -20.475 1.00 71.14 N ATOM 1062 CA GLY A 72 -6.624 9.546 -19.447 1.00 20.13 C ATOM 1063 C GLY A 72 -8.046 9.502 -19.925 1.00 12.14 C ATOM 1064 O GLY A 72 -8.919 9.017 -19.221 1.00 4.42 O ATOM 0 H GLY A 72 -5.118 9.772 -20.884 1.00 71.14 H new ATOM 0 HA2 GLY A 72 -6.517 8.938 -18.549 1.00 20.13 H new ATOM 0 HA3 GLY A 72 -6.358 10.567 -19.174 1.00 20.13 H new ATOM 1068 N VAL A 73 -8.274 9.994 -21.127 1.00 64.41 N ATOM 1069 CA VAL A 73 -9.607 10.053 -21.663 1.00 41.51 C ATOM 1070 C VAL A 73 -10.144 8.620 -21.845 1.00 35.33 C ATOM 1071 O VAL A 73 -11.288 8.386 -21.556 1.00 1.14 O ATOM 1072 CB VAL A 73 -9.685 10.919 -22.977 1.00 0.31 C ATOM 1073 CG1 VAL A 73 -9.015 10.240 -24.177 1.00 64.14 C ATOM 1074 CG2 VAL A 73 -11.132 11.272 -23.306 1.00 2.42 C ATOM 0 H VAL A 73 -7.549 10.357 -21.746 1.00 64.41 H new ATOM 0 HA VAL A 73 -10.255 10.569 -20.954 1.00 41.51 H new ATOM 0 HB VAL A 73 -9.129 11.835 -22.779 1.00 0.31 H new ATOM 0 HG11 VAL A 73 -9.100 10.883 -25.053 1.00 64.14 H new ATOM 0 HG12 VAL A 73 -7.962 10.066 -23.955 1.00 64.14 H new ATOM 0 HG13 VAL A 73 -9.506 9.288 -24.377 1.00 64.14 H new ATOM 0 HG21 VAL A 73 -11.163 11.870 -24.217 1.00 2.42 H new ATOM 0 HG22 VAL A 73 -11.705 10.357 -23.453 1.00 2.42 H new ATOM 0 HG23 VAL A 73 -11.564 11.842 -22.483 1.00 2.42 H new ATOM 1084 N ALA A 74 -9.274 7.684 -22.205 1.00 24.31 N ATOM 1085 CA ALA A 74 -9.682 6.284 -22.358 1.00 74.04 C ATOM 1086 C ALA A 74 -10.218 5.715 -21.043 1.00 22.33 C ATOM 1087 O ALA A 74 -11.229 5.046 -21.027 1.00 51.40 O ATOM 1088 CB ALA A 74 -8.472 5.448 -22.819 1.00 40.01 C ATOM 0 H ALA A 74 -8.288 7.862 -22.396 1.00 24.31 H new ATOM 0 HA ALA A 74 -10.478 6.239 -23.101 1.00 74.04 H new ATOM 0 HB1 ALA A 74 -8.772 4.406 -22.934 1.00 40.01 H new ATOM 0 HB2 ALA A 74 -8.109 5.829 -23.774 1.00 40.01 H new ATOM 0 HB3 ALA A 74 -7.678 5.517 -22.076 1.00 40.01 H new ATOM 1094 N ARG A 75 -9.528 5.998 -19.959 1.00 13.02 N ATOM 1095 CA ARG A 75 -9.904 5.509 -18.652 1.00 30.05 C ATOM 1096 C ARG A 75 -11.110 6.272 -18.124 1.00 23.41 C ATOM 1097 O ARG A 75 -11.955 5.702 -17.445 1.00 71.42 O ATOM 1098 CB ARG A 75 -8.711 5.667 -17.674 1.00 21.23 C ATOM 1099 CG ARG A 75 -7.537 4.781 -18.097 1.00 72.34 C ATOM 1100 CD ARG A 75 -6.237 5.180 -17.393 1.00 20.11 C ATOM 1101 NE ARG A 75 -5.110 4.635 -18.155 1.00 51.03 N ATOM 1102 CZ ARG A 75 -3.828 4.751 -17.847 1.00 64.23 C ATOM 1103 NH1 ARG A 75 -3.425 5.379 -16.772 1.00 24.42 N ATOM 1104 NH2 ARG A 75 -2.939 4.231 -18.652 1.00 12.34 N ATOM 0 H ARG A 75 -8.688 6.576 -19.961 1.00 13.02 H new ATOM 0 HA ARG A 75 -10.169 4.455 -18.734 1.00 30.05 H new ATOM 0 HB2 ARG A 75 -8.394 6.709 -17.647 1.00 21.23 H new ATOM 0 HB3 ARG A 75 -9.026 5.403 -16.664 1.00 21.23 H new ATOM 0 HG2 ARG A 75 -7.768 3.740 -17.870 1.00 72.34 H new ATOM 0 HG3 ARG A 75 -7.401 4.850 -19.176 1.00 72.34 H new ATOM 0 HD2 ARG A 75 -6.160 6.265 -17.326 1.00 20.11 H new ATOM 0 HD3 ARG A 75 -6.225 4.796 -16.373 1.00 20.11 H new ATOM 0 HE ARG A 75 -5.335 4.117 -19.004 1.00 51.03 H new ATOM 0 HH11 ARG A 75 -4.107 5.798 -16.140 1.00 24.42 H new ATOM 0 HH12 ARG A 75 -2.429 5.449 -16.566 1.00 24.42 H new ATOM 0 HH21 ARG A 75 -3.239 3.747 -19.499 1.00 12.34 H new ATOM 0 HH22 ARG A 75 -1.946 4.309 -18.434 1.00 12.34 H new ATOM 1118 N ALA A 76 -11.214 7.544 -18.463 1.00 53.32 N ATOM 1119 CA ALA A 76 -12.344 8.373 -18.035 1.00 21.22 C ATOM 1120 C ALA A 76 -13.654 7.958 -18.709 1.00 72.34 C ATOM 1121 O ALA A 76 -14.703 7.919 -18.079 1.00 24.22 O ATOM 1122 CB ALA A 76 -12.029 9.835 -18.345 1.00 61.45 C ATOM 0 H ALA A 76 -10.529 8.035 -19.037 1.00 53.32 H new ATOM 0 HA ALA A 76 -12.483 8.235 -16.963 1.00 21.22 H new ATOM 0 HB1 ALA A 76 -12.864 10.462 -18.031 1.00 61.45 H new ATOM 0 HB2 ALA A 76 -11.128 10.135 -17.809 1.00 61.45 H new ATOM 0 HB3 ALA A 76 -11.870 9.954 -19.417 1.00 61.45 H new ATOM 1128 N LEU A 77 -13.599 7.646 -19.999 1.00 51.12 N ATOM 1129 CA LEU A 77 -14.782 7.187 -20.718 1.00 24.53 C ATOM 1130 C LEU A 77 -15.076 5.731 -20.392 1.00 22.04 C ATOM 1131 O LEU A 77 -16.225 5.326 -20.340 1.00 3.35 O ATOM 1132 CB LEU A 77 -14.610 7.403 -22.232 1.00 35.13 C ATOM 1133 CG LEU A 77 -13.542 6.571 -22.965 1.00 42.33 C ATOM 1134 CD1 LEU A 77 -13.922 5.200 -23.453 1.00 43.00 C ATOM 1135 CD2 LEU A 77 -13.020 7.427 -24.110 1.00 21.52 C ATOM 0 H LEU A 77 -12.753 7.702 -20.566 1.00 51.12 H new ATOM 0 HA LEU A 77 -15.639 7.777 -20.393 1.00 24.53 H new ATOM 0 HB2 LEU A 77 -15.571 7.207 -22.708 1.00 35.13 H new ATOM 0 HB3 LEU A 77 -14.382 8.456 -22.395 1.00 35.13 H new ATOM 0 HG LEU A 77 -12.788 6.332 -22.215 1.00 42.33 H new ATOM 0 HD11 LEU A 77 -13.067 4.740 -23.948 1.00 43.00 H new ATOM 0 HD12 LEU A 77 -14.227 4.584 -22.607 1.00 43.00 H new ATOM 0 HD13 LEU A 77 -14.749 5.281 -24.159 1.00 43.00 H new ATOM 0 HD21 LEU A 77 -12.258 6.874 -24.659 1.00 21.52 H new ATOM 0 HD22 LEU A 77 -13.841 7.677 -24.782 1.00 21.52 H new ATOM 0 HD23 LEU A 77 -12.587 8.344 -23.711 1.00 21.52 H new