USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 519 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 THR OG1 : rot 22:sc= 0.443 USER MOD Single : A 13 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0447) USER MOD Single : A 16 CYS SG : rot 80:sc= -1.14 USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-0.12) USER MOD Single : A 40 SER OG : rot 65:sc= 0.0548 USER MOD Single : A 41 SER OG : rot 180:sc= 0.00241 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.072 X(o=-0.072,f=-0.065) USER MOD Single : A 66 SER OG : rot 87:sc= 1.23 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0167 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0088 USER MOD ----------------------------------------------------------------- ATOM 127 N THR A 11 -5.863 0.955 -27.353 1.00 24.03 N ATOM 128 CA THR A 11 -6.685 2.160 -27.509 1.00 21.44 C ATOM 129 C THR A 11 -5.857 3.430 -27.360 1.00 64.43 C ATOM 130 O THR A 11 -6.055 4.384 -28.114 1.00 4.02 O ATOM 131 CB THR A 11 -7.833 2.147 -26.467 1.00 43.31 C ATOM 132 OG1 THR A 11 -8.377 0.822 -26.395 1.00 13.20 O ATOM 133 CG2 THR A 11 -8.949 3.095 -26.862 1.00 54.45 C ATOM 0 HA THR A 11 -7.103 2.156 -28.516 1.00 21.44 H new ATOM 0 HB THR A 11 -7.425 2.463 -25.507 1.00 43.31 H new ATOM 0 HG1 THR A 11 -7.714 0.178 -26.720 1.00 13.20 H new ATOM 0 HG21 THR A 11 -9.738 3.062 -26.110 1.00 54.45 H new ATOM 0 HG22 THR A 11 -8.557 4.110 -26.932 1.00 54.45 H new ATOM 0 HG23 THR A 11 -9.356 2.796 -27.828 1.00 54.45 H new ATOM 141 N GLU A 12 -4.978 3.476 -26.369 1.00 51.00 N ATOM 142 CA GLU A 12 -4.147 4.673 -26.151 1.00 44.21 C ATOM 143 C GLU A 12 -3.336 5.008 -27.389 1.00 32.34 C ATOM 144 O GLU A 12 -3.177 6.162 -27.730 1.00 71.44 O ATOM 145 CB GLU A 12 -3.158 4.503 -24.998 1.00 1.30 C ATOM 146 CG GLU A 12 -3.838 4.385 -23.607 1.00 11.01 C ATOM 147 CD GLU A 12 -4.347 2.975 -23.355 1.00 31.15 C ATOM 148 OE1 GLU A 12 -3.527 2.107 -22.956 1.00 42.34 O ATOM 149 OE2 GLU A 12 -5.541 2.711 -23.596 1.00 74.40 O ATOM 0 H GLU A 12 -4.816 2.717 -25.708 1.00 51.00 H new ATOM 0 HA GLU A 12 -4.849 5.472 -25.913 1.00 44.21 H new ATOM 0 HB2 GLU A 12 -2.556 3.612 -25.175 1.00 1.30 H new ATOM 0 HB3 GLU A 12 -2.475 5.352 -24.988 1.00 1.30 H new ATOM 0 HG2 GLU A 12 -3.127 4.661 -22.828 1.00 11.01 H new ATOM 0 HG3 GLU A 12 -4.668 5.089 -23.545 1.00 11.01 H new ATOM 156 N LYS A 13 -2.839 3.974 -28.040 1.00 11.23 N ATOM 157 CA LYS A 13 -1.952 4.140 -29.180 1.00 42.20 C ATOM 158 C LYS A 13 -2.641 4.789 -30.344 1.00 24.13 C ATOM 159 O LYS A 13 -2.081 5.651 -30.998 1.00 5.42 O ATOM 160 CB LYS A 13 -1.426 2.774 -29.588 1.00 62.22 C ATOM 161 CG LYS A 13 -0.960 1.850 -28.434 1.00 43.21 C ATOM 162 CD LYS A 13 0.305 2.392 -27.804 1.00 42.11 C ATOM 163 CE LYS A 13 0.825 1.430 -26.732 1.00 23.34 C ATOM 164 NZ LYS A 13 -0.117 1.256 -25.587 1.00 74.31 N ATOM 0 H LYS A 13 -3.035 3.003 -27.798 1.00 11.23 H new ATOM 0 HA LYS A 13 -1.134 4.797 -28.885 1.00 42.20 H new ATOM 0 HB2 LYS A 13 -2.207 2.258 -30.146 1.00 62.22 H new ATOM 0 HB3 LYS A 13 -0.589 2.919 -30.271 1.00 62.22 H new ATOM 0 HG2 LYS A 13 -1.745 1.773 -27.681 1.00 43.21 H new ATOM 0 HG3 LYS A 13 -0.783 0.844 -28.814 1.00 43.21 H new ATOM 0 HD2 LYS A 13 1.066 2.538 -28.570 1.00 42.11 H new ATOM 0 HD3 LYS A 13 0.108 3.368 -27.361 1.00 42.11 H new ATOM 0 HE2 LYS A 13 1.016 0.458 -27.187 1.00 23.34 H new ATOM 0 HE3 LYS A 13 1.779 1.798 -26.355 1.00 23.34 H new ATOM 0 HZ1 LYS A 13 0.334 0.676 -24.851 1.00 74.31 H new ATOM 0 HZ2 LYS A 13 -0.360 2.187 -25.193 1.00 74.31 H new ATOM 0 HZ3 LYS A 13 -0.982 0.783 -25.918 1.00 74.31 H new ATOM 178 N VAL A 14 -3.876 4.361 -30.618 1.00 75.34 N ATOM 179 CA VAL A 14 -4.616 4.886 -31.743 1.00 3.42 C ATOM 180 C VAL A 14 -4.922 6.342 -31.473 1.00 0.44 C ATOM 181 O VAL A 14 -4.729 7.205 -32.318 1.00 63.24 O ATOM 182 CB VAL A 14 -5.941 4.115 -31.969 1.00 23.45 C ATOM 183 CG1 VAL A 14 -6.697 4.685 -33.176 1.00 31.05 C ATOM 184 CG2 VAL A 14 -5.680 2.623 -32.185 1.00 42.05 C ATOM 0 H VAL A 14 -4.373 3.656 -30.073 1.00 75.34 H new ATOM 0 HA VAL A 14 -4.011 4.773 -32.643 1.00 3.42 H new ATOM 0 HB VAL A 14 -6.551 4.236 -31.074 1.00 23.45 H new ATOM 0 HG11 VAL A 14 -7.625 4.131 -33.319 1.00 31.05 H new ATOM 0 HG12 VAL A 14 -6.926 5.736 -32.999 1.00 31.05 H new ATOM 0 HG13 VAL A 14 -6.079 4.594 -34.069 1.00 31.05 H new ATOM 0 HG21 VAL A 14 -6.627 2.107 -32.341 1.00 42.05 H new ATOM 0 HG22 VAL A 14 -5.045 2.488 -33.060 1.00 42.05 H new ATOM 0 HG23 VAL A 14 -5.182 2.210 -31.308 1.00 42.05 H new ATOM 194 N LEU A 15 -5.372 6.620 -30.259 1.00 42.23 N ATOM 195 CA LEU A 15 -5.733 7.983 -29.868 1.00 3.32 C ATOM 196 C LEU A 15 -4.541 8.915 -29.888 1.00 44.21 C ATOM 197 O LEU A 15 -4.633 10.061 -30.301 1.00 43.30 O ATOM 198 CB LEU A 15 -6.314 7.944 -28.470 1.00 71.23 C ATOM 199 CG LEU A 15 -7.675 7.262 -28.313 1.00 71.10 C ATOM 200 CD1 LEU A 15 -7.816 6.950 -26.845 1.00 41.33 C ATOM 201 CD2 LEU A 15 -8.836 8.099 -28.824 1.00 13.34 C ATOM 0 H LEU A 15 -5.498 5.923 -29.525 1.00 42.23 H new ATOM 0 HA LEU A 15 -6.460 8.364 -30.586 1.00 3.32 H new ATOM 0 HB2 LEU A 15 -5.602 7.437 -27.819 1.00 71.23 H new ATOM 0 HB3 LEU A 15 -6.403 8.969 -28.109 1.00 71.23 H new ATOM 0 HG LEU A 15 -7.711 6.360 -28.924 1.00 71.10 H new ATOM 0 HD11 LEU A 15 -8.773 6.459 -26.668 1.00 41.33 H new ATOM 0 HD12 LEU A 15 -7.006 6.290 -26.534 1.00 41.33 H new ATOM 0 HD13 LEU A 15 -7.771 7.875 -26.270 1.00 41.33 H new ATOM 0 HD21 LEU A 15 -9.769 7.553 -28.681 1.00 13.34 H new ATOM 0 HD22 LEU A 15 -8.877 9.039 -28.273 1.00 13.34 H new ATOM 0 HD23 LEU A 15 -8.696 8.306 -29.885 1.00 13.34 H new ATOM 213 N CYS A 16 -3.401 8.402 -29.469 1.00 62.30 N ATOM 214 CA CYS A 16 -2.157 9.153 -29.522 1.00 2.51 C ATOM 215 C CYS A 16 -1.843 9.541 -30.981 1.00 53.51 C ATOM 216 O CYS A 16 -1.592 10.689 -31.269 1.00 15.04 O ATOM 217 CB CYS A 16 -1.019 8.301 -28.995 1.00 11.42 C ATOM 218 SG CYS A 16 -1.026 8.191 -27.211 1.00 23.52 S ATOM 0 H CYS A 16 -3.308 7.462 -29.085 1.00 62.30 H new ATOM 0 HA CYS A 16 -2.264 10.050 -28.912 1.00 2.51 H new ATOM 0 HB2 CYS A 16 -1.091 7.299 -29.419 1.00 11.42 H new ATOM 0 HB3 CYS A 16 -0.069 8.720 -29.327 1.00 11.42 H new ATOM 0 HG CYS A 16 -1.900 7.306 -26.834 1.00 23.52 H new ATOM 224 N ALA A 17 -1.895 8.557 -31.875 1.00 32.51 N ATOM 225 CA ALA A 17 -1.506 8.854 -33.237 1.00 0.23 C ATOM 226 C ALA A 17 -2.470 9.855 -33.857 1.00 12.11 C ATOM 227 O ALA A 17 -2.081 10.791 -34.568 1.00 25.41 O ATOM 228 CB ALA A 17 -1.485 7.572 -34.068 1.00 33.42 C ATOM 0 H ALA A 17 -2.187 7.597 -31.690 1.00 32.51 H new ATOM 0 HA ALA A 17 -0.507 9.289 -33.226 1.00 0.23 H new ATOM 0 HB1 ALA A 17 -1.191 7.806 -35.091 1.00 33.42 H new ATOM 0 HB2 ALA A 17 -0.771 6.871 -33.637 1.00 33.42 H new ATOM 0 HB3 ALA A 17 -2.478 7.123 -34.070 1.00 33.42 H new ATOM 234 N LEU A 18 -3.728 9.755 -33.461 1.00 35.21 N ATOM 235 CA LEU A 18 -4.796 10.635 -33.924 1.00 33.32 C ATOM 236 C LEU A 18 -4.615 12.057 -33.405 1.00 11.54 C ATOM 237 O LEU A 18 -4.938 12.997 -34.105 1.00 2.23 O ATOM 238 CB LEU A 18 -6.125 10.074 -33.496 1.00 3.44 C ATOM 239 CG LEU A 18 -6.877 9.414 -34.651 1.00 71.00 C ATOM 240 CD1 LEU A 18 -6.088 8.320 -35.377 1.00 23.54 C ATOM 241 CD2 LEU A 18 -8.170 8.825 -34.145 1.00 4.13 C ATOM 0 H LEU A 18 -4.045 9.048 -32.797 1.00 35.21 H new ATOM 0 HA LEU A 18 -4.758 10.685 -35.012 1.00 33.32 H new ATOM 0 HB2 LEU A 18 -5.969 9.343 -32.702 1.00 3.44 H new ATOM 0 HB3 LEU A 18 -6.736 10.874 -33.078 1.00 3.44 H new ATOM 0 HG LEU A 18 -7.054 10.207 -35.378 1.00 71.00 H new ATOM 0 HD11 LEU A 18 -6.696 7.906 -36.181 1.00 23.54 H new ATOM 0 HD12 LEU A 18 -5.175 8.746 -35.794 1.00 23.54 H new ATOM 0 HD13 LEU A 18 -5.830 7.529 -34.673 1.00 23.54 H new ATOM 0 HD21 LEU A 18 -8.704 8.355 -34.971 1.00 4.13 H new ATOM 0 HD22 LEU A 18 -7.955 8.078 -33.380 1.00 4.13 H new ATOM 0 HD23 LEU A 18 -8.787 9.615 -33.717 1.00 4.13 H new ATOM 253 N TYR A 19 -4.059 12.251 -32.218 1.00 12.31 N ATOM 254 CA TYR A 19 -3.795 13.596 -31.760 1.00 25.12 C ATOM 255 C TYR A 19 -2.784 14.233 -32.729 1.00 12.34 C ATOM 256 O TYR A 19 -2.998 15.344 -33.225 1.00 75.45 O ATOM 257 CB TYR A 19 -3.183 13.620 -30.375 1.00 30.41 C ATOM 258 CG TYR A 19 -4.153 13.778 -29.222 1.00 51.22 C ATOM 259 CD1 TYR A 19 -5.377 13.079 -29.180 1.00 53.52 C ATOM 260 CD2 TYR A 19 -3.819 14.620 -28.111 1.00 24.12 C ATOM 261 CE1 TYR A 19 -6.263 13.230 -28.059 1.00 45.11 C ATOM 262 CE2 TYR A 19 -4.701 14.748 -27.011 1.00 24.41 C ATOM 263 CZ TYR A 19 -5.918 14.061 -27.003 1.00 52.43 C ATOM 264 OH TYR A 19 -6.762 14.172 -25.934 1.00 22.33 O ATOM 0 H TYR A 19 -3.789 11.510 -31.572 1.00 12.31 H new ATOM 0 HA TYR A 19 -4.741 14.135 -31.725 1.00 25.12 H new ATOM 0 HB2 TYR A 19 -2.625 12.695 -30.230 1.00 30.41 H new ATOM 0 HB3 TYR A 19 -2.463 14.437 -30.332 1.00 30.41 H new ATOM 0 HD1 TYR A 19 -5.650 12.426 -29.996 1.00 53.52 H new ATOM 0 HD2 TYR A 19 -2.885 15.162 -28.113 1.00 24.12 H new ATOM 0 HE1 TYR A 19 -7.201 12.695 -28.038 1.00 45.11 H new ATOM 0 HE2 TYR A 19 -4.433 15.378 -26.176 1.00 24.41 H new ATOM 0 HH TYR A 19 -7.256 13.333 -25.819 1.00 22.33 H new ATOM 274 N ALA A 20 -1.692 13.532 -33.024 1.00 71.04 N ATOM 275 CA ALA A 20 -0.679 14.118 -33.866 1.00 60.32 C ATOM 276 C ALA A 20 -1.241 14.419 -35.293 1.00 11.34 C ATOM 277 O ALA A 20 -0.801 15.391 -35.927 1.00 34.23 O ATOM 278 CB ALA A 20 0.506 13.108 -34.013 1.00 1.01 C ATOM 0 H ALA A 20 -1.498 12.585 -32.699 1.00 71.04 H new ATOM 0 HA ALA A 20 -0.349 15.050 -33.407 1.00 60.32 H new ATOM 0 HB1 ALA A 20 1.278 13.542 -34.649 1.00 1.01 H new ATOM 0 HB2 ALA A 20 0.924 12.892 -33.030 1.00 1.01 H new ATOM 0 HB3 ALA A 20 0.143 12.184 -34.463 1.00 1.01 H new ATOM 284 N GLU A 21 -2.166 13.592 -35.725 1.00 12.21 N ATOM 285 CA GLU A 21 -2.729 13.750 -37.089 1.00 75.21 C ATOM 286 C GLU A 21 -3.541 15.043 -37.182 1.00 42.41 C ATOM 287 O GLU A 21 -3.564 15.709 -38.232 1.00 61.13 O ATOM 288 CB GLU A 21 -3.658 12.555 -37.406 1.00 43.54 C ATOM 289 CG GLU A 21 -2.944 11.322 -37.978 1.00 64.11 C ATOM 290 CD GLU A 21 -3.091 11.246 -39.491 1.00 33.55 C ATOM 291 OE1 GLU A 21 -4.251 11.098 -39.969 1.00 61.22 O ATOM 292 OE2 GLU A 21 -2.085 11.375 -40.206 1.00 53.41 O ATOM 0 H GLU A 21 -2.550 12.817 -35.185 1.00 12.21 H new ATOM 0 HA GLU A 21 -1.907 13.787 -37.803 1.00 75.21 H new ATOM 0 HB2 GLU A 21 -4.179 12.265 -36.494 1.00 43.54 H new ATOM 0 HB3 GLU A 21 -4.417 12.881 -38.117 1.00 43.54 H new ATOM 0 HG2 GLU A 21 -1.887 11.358 -37.715 1.00 64.11 H new ATOM 0 HG3 GLU A 21 -3.355 10.419 -37.525 1.00 64.11 H new ATOM 299 N ILE A 22 -4.222 15.321 -36.114 1.00 54.12 N ATOM 300 CA ILE A 22 -5.118 16.399 -36.070 1.00 4.24 C ATOM 301 C ILE A 22 -4.441 17.708 -35.723 1.00 24.53 C ATOM 302 O ILE A 22 -4.755 18.742 -36.280 1.00 54.11 O ATOM 303 CB ILE A 22 -6.178 16.029 -35.078 1.00 63.34 C ATOM 304 CG1 ILE A 22 -7.038 14.831 -35.532 1.00 44.15 C ATOM 305 CG2 ILE A 22 -7.176 17.305 -34.789 1.00 3.22 C ATOM 306 CD1 ILE A 22 -7.930 15.032 -36.684 1.00 32.24 C ATOM 0 H ILE A 22 -4.160 14.790 -35.245 1.00 54.12 H new ATOM 0 HA ILE A 22 -5.552 16.572 -37.055 1.00 4.24 H new ATOM 0 HB ILE A 22 -5.647 15.743 -34.170 1.00 63.34 H new ATOM 0 HG12 ILE A 22 -6.367 14.005 -35.767 1.00 44.15 H new ATOM 0 HG13 ILE A 22 -7.648 14.515 -34.686 1.00 44.15 H new ATOM 0 HG21 ILE A 22 -7.938 17.014 -34.066 1.00 3.22 H new ATOM 0 HG22 ILE A 22 -6.596 18.137 -34.390 1.00 3.22 H new ATOM 0 HG23 ILE A 22 -7.656 17.610 -35.719 1.00 3.22 H new ATOM 0 HD11 ILE A 22 -8.472 14.109 -36.890 1.00 32.24 H new ATOM 0 HD12 ILE A 22 -8.641 15.827 -36.459 1.00 32.24 H new ATOM 0 HD13 ILE A 22 -7.340 15.309 -37.557 1.00 32.24 H new ATOM 318 N LEU A 23 -3.509 17.621 -34.808 1.00 15.32 N ATOM 319 CA LEU A 23 -2.786 18.782 -34.306 1.00 10.35 C ATOM 320 C LEU A 23 -1.667 19.211 -35.261 1.00 1.13 C ATOM 321 O LEU A 23 -1.252 20.361 -35.245 1.00 22.42 O ATOM 322 CB LEU A 23 -2.245 18.492 -32.924 1.00 34.14 C ATOM 323 CG LEU A 23 -3.302 18.181 -31.858 1.00 63.14 C ATOM 324 CD1 LEU A 23 -2.644 17.443 -30.670 1.00 11.13 C ATOM 325 CD2 LEU A 23 -4.008 19.460 -31.405 1.00 41.14 C ATOM 0 H LEU A 23 -3.222 16.740 -34.382 1.00 15.32 H new ATOM 0 HA LEU A 23 -3.483 19.617 -34.243 1.00 10.35 H new ATOM 0 HB2 LEU A 23 -1.560 17.647 -32.990 1.00 34.14 H new ATOM 0 HB3 LEU A 23 -1.661 19.351 -32.593 1.00 34.14 H new ATOM 0 HG LEU A 23 -4.062 17.528 -32.288 1.00 63.14 H new ATOM 0 HD11 LEU A 23 -3.399 17.224 -29.915 1.00 11.13 H new ATOM 0 HD12 LEU A 23 -2.201 16.511 -31.021 1.00 11.13 H new ATOM 0 HD13 LEU A 23 -1.868 18.073 -30.235 1.00 11.13 H new ATOM 0 HD21 LEU A 23 -4.754 19.216 -30.649 1.00 41.14 H new ATOM 0 HD22 LEU A 23 -3.277 20.150 -30.984 1.00 41.14 H new ATOM 0 HD23 LEU A 23 -4.498 19.927 -32.259 1.00 41.14 H new ATOM 337 N GLY A 24 -1.190 18.288 -36.088 1.00 5.11 N ATOM 338 CA GLY A 24 -0.142 18.619 -37.039 1.00 21.53 C ATOM 339 C GLY A 24 1.227 18.709 -36.398 1.00 24.45 C ATOM 340 O GLY A 24 2.057 19.517 -36.807 1.00 41.22 O ATOM 0 H GLY A 24 -1.508 17.319 -36.118 1.00 5.11 H new ATOM 0 HA2 GLY A 24 -0.121 17.865 -37.826 1.00 21.53 H new ATOM 0 HA3 GLY A 24 -0.378 19.570 -37.516 1.00 21.53 H new ATOM 344 N VAL A 25 1.461 17.887 -35.385 1.00 3.25 N ATOM 345 CA VAL A 25 2.730 17.896 -34.643 1.00 4.24 C ATOM 346 C VAL A 25 3.496 16.603 -34.936 1.00 33.41 C ATOM 347 O VAL A 25 2.905 15.594 -35.298 1.00 43.23 O ATOM 348 CB VAL A 25 2.495 18.074 -33.113 1.00 64.42 C ATOM 349 CG1 VAL A 25 1.888 19.462 -32.838 1.00 54.21 C ATOM 350 CG2 VAL A 25 1.562 16.982 -32.561 1.00 5.34 C ATOM 0 H VAL A 25 0.788 17.198 -35.050 1.00 3.25 H new ATOM 0 HA VAL A 25 3.324 18.748 -34.974 1.00 4.24 H new ATOM 0 HB VAL A 25 3.458 17.986 -32.609 1.00 64.42 H new ATOM 0 HG11 VAL A 25 1.725 19.582 -31.767 1.00 54.21 H new ATOM 0 HG12 VAL A 25 2.572 20.234 -33.190 1.00 54.21 H new ATOM 0 HG13 VAL A 25 0.937 19.553 -33.362 1.00 54.21 H new ATOM 0 HG21 VAL A 25 1.418 17.133 -31.491 1.00 5.34 H new ATOM 0 HG22 VAL A 25 0.599 17.036 -33.068 1.00 5.34 H new ATOM 0 HG23 VAL A 25 2.008 16.002 -32.732 1.00 5.34 H new ATOM 360 N GLU A 26 4.815 16.645 -34.808 1.00 53.35 N ATOM 361 CA GLU A 26 5.652 15.509 -35.165 1.00 53.13 C ATOM 362 C GLU A 26 5.415 14.327 -34.249 1.00 40.32 C ATOM 363 O GLU A 26 5.487 13.138 -34.687 1.00 71.23 O ATOM 364 CB GLU A 26 7.134 15.897 -35.073 1.00 12.31 C ATOM 365 CG GLU A 26 7.563 17.006 -36.019 1.00 41.31 C ATOM 366 CD GLU A 26 9.077 17.163 -36.042 1.00 15.05 C ATOM 367 OE1 GLU A 26 9.655 17.470 -34.985 1.00 33.41 O ATOM 368 OE2 GLU A 26 9.693 16.910 -37.105 1.00 71.34 O ATOM 0 H GLU A 26 5.328 17.454 -34.459 1.00 53.35 H new ATOM 0 HA GLU A 26 5.390 15.226 -36.184 1.00 53.13 H new ATOM 0 HB2 GLU A 26 7.351 16.207 -34.051 1.00 12.31 H new ATOM 0 HB3 GLU A 26 7.739 15.013 -35.274 1.00 12.31 H new ATOM 0 HG2 GLU A 26 7.203 16.788 -37.024 1.00 41.31 H new ATOM 0 HG3 GLU A 26 7.103 17.946 -35.713 1.00 41.31 H new ATOM 375 N ARG A 27 5.212 14.572 -32.971 1.00 60.24 N ATOM 376 CA ARG A 27 5.048 13.536 -31.946 1.00 42.43 C ATOM 377 C ARG A 27 4.150 14.133 -30.924 1.00 73.51 C ATOM 378 O ARG A 27 3.941 15.357 -30.870 1.00 10.23 O ATOM 379 CB ARG A 27 6.399 13.223 -31.242 1.00 23.11 C ATOM 380 CG ARG A 27 6.861 11.734 -31.320 1.00 1.24 C ATOM 381 CD ARG A 27 8.068 11.559 -32.310 1.00 63.03 C ATOM 382 NE ARG A 27 7.699 11.863 -33.695 1.00 44.35 N ATOM 383 CZ ARG A 27 8.507 11.804 -34.748 1.00 34.11 C ATOM 384 NH1 ARG A 27 9.760 11.422 -34.667 1.00 32.34 N ATOM 385 NH2 ARG A 27 8.023 12.154 -35.905 1.00 15.43 N ATOM 0 H ARG A 27 5.153 15.519 -32.596 1.00 60.24 H new ATOM 0 HA ARG A 27 4.667 12.618 -32.393 1.00 42.43 H new ATOM 0 HB2 ARG A 27 7.174 13.850 -31.683 1.00 23.11 H new ATOM 0 HB3 ARG A 27 6.318 13.507 -30.193 1.00 23.11 H new ATOM 0 HG2 ARG A 27 7.150 11.389 -30.327 1.00 1.24 H new ATOM 0 HG3 ARG A 27 6.029 11.110 -31.645 1.00 1.24 H new ATOM 0 HD2 ARG A 27 8.885 12.212 -32.002 1.00 63.03 H new ATOM 0 HD3 ARG A 27 8.438 10.535 -32.251 1.00 63.03 H new ATOM 0 HE ARG A 27 6.734 12.146 -33.866 1.00 44.35 H new ATOM 0 HH11 ARG A 27 10.154 11.153 -33.765 1.00 32.34 H new ATOM 0 HH12 ARG A 27 10.340 11.394 -35.506 1.00 32.34 H new ATOM 0 HH21 ARG A 27 7.053 12.461 -35.980 1.00 15.43 H new ATOM 0 HH22 ARG A 27 8.614 12.122 -36.736 1.00 15.43 H new ATOM 399 N VAL A 28 3.603 13.281 -30.053 1.00 45.22 N ATOM 400 CA VAL A 28 2.643 13.645 -29.110 1.00 1.42 C ATOM 401 C VAL A 28 2.780 12.618 -27.948 1.00 4.44 C ATOM 402 O VAL A 28 3.094 11.440 -28.183 1.00 23.24 O ATOM 403 CB VAL A 28 1.225 13.593 -29.772 1.00 42.34 C ATOM 404 CG1 VAL A 28 0.770 12.245 -30.169 1.00 21.54 C ATOM 405 CG2 VAL A 28 0.232 14.338 -28.867 1.00 20.24 C ATOM 0 H VAL A 28 3.852 12.293 -30.016 1.00 45.22 H new ATOM 0 HA VAL A 28 2.780 14.659 -28.735 1.00 1.42 H new ATOM 0 HB VAL A 28 1.288 14.103 -30.733 1.00 42.34 H new ATOM 0 HG11 VAL A 28 -0.221 12.313 -30.617 1.00 21.54 H new ATOM 0 HG12 VAL A 28 1.468 11.824 -30.893 1.00 21.54 H new ATOM 0 HG13 VAL A 28 0.727 11.602 -29.290 1.00 21.54 H new ATOM 0 HG21 VAL A 28 -0.761 14.310 -29.316 1.00 20.24 H new ATOM 0 HG22 VAL A 28 0.202 13.859 -27.888 1.00 20.24 H new ATOM 0 HG23 VAL A 28 0.550 15.374 -28.754 1.00 20.24 H new ATOM 415 N GLY A 29 2.684 13.062 -26.698 1.00 5.54 N ATOM 416 CA GLY A 29 2.803 12.147 -25.572 1.00 72.03 C ATOM 417 C GLY A 29 1.505 11.419 -25.268 1.00 71.02 C ATOM 418 O GLY A 29 0.453 11.757 -25.787 1.00 23.30 O ATOM 0 H GLY A 29 2.526 14.037 -26.443 1.00 5.54 H new ATOM 0 HA2 GLY A 29 3.583 11.416 -25.784 1.00 72.03 H new ATOM 0 HA3 GLY A 29 3.118 12.703 -24.689 1.00 72.03 H new ATOM 422 N VAL A 30 1.570 10.422 -24.394 1.00 50.43 N ATOM 423 CA VAL A 30 0.371 9.659 -24.008 1.00 33.22 C ATOM 424 C VAL A 30 -0.453 10.514 -23.036 1.00 23.14 C ATOM 425 O VAL A 30 -1.643 10.309 -22.809 1.00 11.11 O ATOM 426 CB VAL A 30 0.755 8.243 -23.394 1.00 1.42 C ATOM 427 CG1 VAL A 30 0.591 8.197 -21.876 1.00 64.44 C ATOM 428 CG2 VAL A 30 -0.084 7.146 -24.029 1.00 22.25 C ATOM 0 H VAL A 30 2.430 10.118 -23.937 1.00 50.43 H new ATOM 0 HA VAL A 30 -0.233 9.444 -24.890 1.00 33.22 H new ATOM 0 HB VAL A 30 1.810 8.081 -23.616 1.00 1.42 H new ATOM 0 HG11 VAL A 30 0.867 7.208 -21.510 1.00 64.44 H new ATOM 0 HG12 VAL A 30 1.236 8.946 -21.417 1.00 64.44 H new ATOM 0 HG13 VAL A 30 -0.447 8.404 -21.616 1.00 64.44 H new ATOM 0 HG21 VAL A 30 0.190 6.183 -23.599 1.00 22.25 H new ATOM 0 HG22 VAL A 30 -1.140 7.340 -23.840 1.00 22.25 H new ATOM 0 HG23 VAL A 30 0.095 7.127 -25.104 1.00 22.25 H new ATOM 438 N ASP A 31 0.205 11.507 -22.483 1.00 72.34 N ATOM 439 CA ASP A 31 -0.379 12.400 -21.487 1.00 52.33 C ATOM 440 C ASP A 31 -0.415 13.824 -22.014 1.00 74.30 C ATOM 441 O ASP A 31 -0.545 14.765 -21.291 1.00 63.10 O ATOM 442 CB ASP A 31 0.446 12.326 -20.216 1.00 4.43 C ATOM 443 CG ASP A 31 1.901 12.819 -20.409 1.00 71.51 C ATOM 444 OD1 ASP A 31 2.562 12.389 -21.394 1.00 10.24 O ATOM 445 OD2 ASP A 31 2.414 13.508 -19.505 1.00 52.43 O ATOM 0 H ASP A 31 1.175 11.727 -22.710 1.00 72.34 H new ATOM 0 HA ASP A 31 -1.403 12.092 -21.274 1.00 52.33 H new ATOM 0 HB2 ASP A 31 -0.035 12.924 -19.442 1.00 4.43 H new ATOM 0 HB3 ASP A 31 0.462 11.296 -19.859 1.00 4.43 H new ATOM 450 N ASP A 32 -0.295 13.954 -23.320 1.00 73.42 N ATOM 451 CA ASP A 32 -0.194 15.282 -23.937 1.00 75.15 C ATOM 452 C ASP A 32 -1.535 15.989 -23.949 1.00 63.04 C ATOM 453 O ASP A 32 -2.548 15.420 -24.368 1.00 20.20 O ATOM 454 CB ASP A 32 0.310 15.181 -25.376 1.00 41.41 C ATOM 455 CG ASP A 32 1.337 16.237 -25.679 1.00 42.22 C ATOM 456 OD1 ASP A 32 1.232 17.374 -25.157 1.00 63.33 O ATOM 457 OD2 ASP A 32 2.265 15.918 -26.438 1.00 73.21 O ATOM 0 H ASP A 32 -0.264 13.174 -23.976 1.00 73.42 H new ATOM 0 HA ASP A 32 0.513 15.854 -23.337 1.00 75.15 H new ATOM 0 HB2 ASP A 32 0.742 14.194 -25.542 1.00 41.41 H new ATOM 0 HB3 ASP A 32 -0.530 15.281 -26.064 1.00 41.41 H new ATOM 462 N ALA A 33 -1.568 17.218 -23.467 1.00 33.34 N ATOM 463 CA ALA A 33 -2.819 17.954 -23.416 1.00 64.14 C ATOM 464 C ALA A 33 -3.135 18.514 -24.803 1.00 23.34 C ATOM 465 O ALA A 33 -2.413 19.350 -25.330 1.00 62.15 O ATOM 466 CB ALA A 33 -2.728 19.077 -22.395 1.00 52.24 C ATOM 0 H ALA A 33 -0.756 17.722 -23.110 1.00 33.34 H new ATOM 0 HA ALA A 33 -3.622 17.282 -23.112 1.00 64.14 H new ATOM 0 HB1 ALA A 33 -3.672 19.621 -22.367 1.00 52.24 H new ATOM 0 HB2 ALA A 33 -2.521 18.658 -21.410 1.00 52.24 H new ATOM 0 HB3 ALA A 33 -1.925 19.759 -22.675 1.00 52.24 H new ATOM 472 N PHE A 34 -4.262 18.091 -25.353 1.00 24.05 N ATOM 473 CA PHE A 34 -4.700 18.492 -26.692 1.00 54.42 C ATOM 474 C PHE A 34 -4.605 20.001 -26.919 1.00 33.04 C ATOM 475 O PHE A 34 -4.187 20.452 -27.975 1.00 24.34 O ATOM 476 CB PHE A 34 -6.154 18.026 -26.883 1.00 20.31 C ATOM 477 CG PHE A 34 -6.654 18.120 -28.306 1.00 32.02 C ATOM 478 CD1 PHE A 34 -6.227 17.194 -29.275 1.00 64.30 C ATOM 479 CD2 PHE A 34 -7.587 19.107 -28.673 1.00 64.33 C ATOM 480 CE1 PHE A 34 -6.707 17.253 -30.604 1.00 33.44 C ATOM 481 CE2 PHE A 34 -8.081 19.171 -30.001 1.00 51.11 C ATOM 482 CZ PHE A 34 -7.638 18.242 -30.966 1.00 44.42 C ATOM 0 H PHE A 34 -4.907 17.455 -24.884 1.00 24.05 H new ATOM 0 HA PHE A 34 -4.037 18.026 -27.421 1.00 54.42 H new ATOM 0 HB2 PHE A 34 -6.239 16.992 -26.548 1.00 20.31 H new ATOM 0 HB3 PHE A 34 -6.802 18.624 -26.242 1.00 20.31 H new ATOM 0 HD1 PHE A 34 -5.521 16.425 -28.999 1.00 64.30 H new ATOM 0 HD2 PHE A 34 -7.929 19.821 -27.938 1.00 64.33 H new ATOM 0 HE1 PHE A 34 -6.360 16.541 -31.338 1.00 33.44 H new ATOM 0 HE2 PHE A 34 -8.797 19.932 -30.274 1.00 51.11 H new ATOM 0 HZ PHE A 34 -8.012 18.290 -31.978 1.00 44.42 H new ATOM 492 N HIS A 35 -4.994 20.779 -25.916 1.00 72.10 N ATOM 493 CA HIS A 35 -5.013 22.237 -26.043 1.00 32.13 C ATOM 494 C HIS A 35 -3.636 22.909 -26.025 1.00 11.44 C ATOM 495 O HIS A 35 -3.529 24.056 -26.430 1.00 71.32 O ATOM 496 CB HIS A 35 -5.885 22.847 -24.937 1.00 15.01 C ATOM 497 CG HIS A 35 -5.327 22.658 -23.561 1.00 33.05 C ATOM 498 ND1 HIS A 35 -5.919 21.854 -22.582 1.00 52.13 N ATOM 499 CD2 HIS A 35 -4.209 23.151 -22.969 1.00 31.50 C ATOM 500 CE1 HIS A 35 -5.151 21.871 -21.497 1.00 70.31 C ATOM 501 NE2 HIS A 35 -4.119 22.641 -21.716 1.00 51.01 N ATOM 0 H HIS A 35 -5.300 20.430 -25.008 1.00 72.10 H new ATOM 0 HA HIS A 35 -5.428 22.430 -27.032 1.00 32.13 H new ATOM 0 HB2 HIS A 35 -6.006 23.913 -25.128 1.00 15.01 H new ATOM 0 HB3 HIS A 35 -6.878 22.401 -24.982 1.00 15.01 H new ATOM 0 HD2 HIS A 35 -3.507 23.836 -23.421 1.00 31.50 H new ATOM 0 HE1 HIS A 35 -5.349 21.334 -20.581 1.00 70.31 H new ATOM 0 HE2 HIS A 35 -3.367 22.828 -21.052 1.00 51.01 H new ATOM 509 N ASP A 36 -2.602 22.236 -25.540 1.00 31.30 N ATOM 510 CA ASP A 36 -1.280 22.869 -25.436 1.00 44.14 C ATOM 511 C ASP A 36 -0.641 22.896 -26.816 1.00 44.14 C ATOM 512 O ASP A 36 0.105 23.808 -27.148 1.00 24.42 O ATOM 513 CB ASP A 36 -0.385 22.137 -24.425 1.00 32.24 C ATOM 514 CG ASP A 36 -0.761 22.454 -22.973 1.00 52.55 C ATOM 515 OD1 ASP A 36 -1.352 23.530 -22.729 1.00 62.02 O ATOM 516 OD2 ASP A 36 -0.534 21.609 -22.089 1.00 22.23 O ATOM 0 H ASP A 36 -2.642 21.270 -25.216 1.00 31.30 H new ATOM 0 HA ASP A 36 -1.398 23.889 -25.069 1.00 44.14 H new ATOM 0 HB2 ASP A 36 -0.459 21.062 -24.590 1.00 32.24 H new ATOM 0 HB3 ASP A 36 0.655 22.415 -24.597 1.00 32.24 H new ATOM 521 N LEU A 37 -1.038 21.952 -27.659 1.00 54.10 N ATOM 522 CA LEU A 37 -0.612 21.928 -29.061 1.00 73.35 C ATOM 523 C LEU A 37 -1.550 22.802 -29.914 1.00 52.33 C ATOM 524 O LEU A 37 -1.636 22.640 -31.125 1.00 43.34 O ATOM 525 CB LEU A 37 -0.624 20.488 -29.601 1.00 1.21 C ATOM 526 CG LEU A 37 0.325 19.408 -29.030 1.00 13.10 C ATOM 527 CD1 LEU A 37 1.682 19.969 -28.600 1.00 32.34 C ATOM 528 CD2 LEU A 37 -0.306 18.644 -27.862 1.00 54.31 C ATOM 0 H LEU A 37 -1.659 21.186 -27.398 1.00 54.10 H new ATOM 0 HA LEU A 37 0.403 22.322 -29.119 1.00 73.35 H new ATOM 0 HB2 LEU A 37 -1.640 20.113 -29.483 1.00 1.21 H new ATOM 0 HB3 LEU A 37 -0.429 20.548 -30.672 1.00 1.21 H new ATOM 0 HG LEU A 37 0.494 18.716 -29.855 1.00 13.10 H new ATOM 0 HD11 LEU A 37 2.302 19.162 -28.208 1.00 32.34 H new ATOM 0 HD12 LEU A 37 2.177 20.423 -29.459 1.00 32.34 H new ATOM 0 HD13 LEU A 37 1.536 20.722 -27.826 1.00 32.34 H new ATOM 0 HD21 LEU A 37 0.397 17.897 -27.494 1.00 54.31 H new ATOM 0 HD22 LEU A 37 -0.548 19.341 -27.060 1.00 54.31 H new ATOM 0 HD23 LEU A 37 -1.217 18.150 -28.200 1.00 54.31 H new ATOM 540 N GLY A 38 -2.281 23.707 -29.273 1.00 1.51 N ATOM 541 CA GLY A 38 -3.190 24.593 -29.989 1.00 22.10 C ATOM 542 C GLY A 38 -4.554 23.981 -30.251 1.00 52.44 C ATOM 543 O GLY A 38 -5.400 24.574 -30.933 1.00 73.50 O ATOM 0 H GLY A 38 -2.262 23.846 -28.263 1.00 1.51 H new ATOM 0 HA2 GLY A 38 -3.317 25.511 -29.415 1.00 22.10 H new ATOM 0 HA3 GLY A 38 -2.737 24.872 -30.940 1.00 22.10 H new ATOM 547 N GLY A 39 -4.786 22.796 -29.709 1.00 41.15 N ATOM 548 CA GLY A 39 -6.057 22.124 -29.905 1.00 24.34 C ATOM 549 C GLY A 39 -7.227 22.925 -29.376 1.00 42.03 C ATOM 550 O GLY A 39 -7.227 23.421 -28.255 1.00 44.22 O ATOM 0 H GLY A 39 -4.116 22.284 -29.135 1.00 41.15 H new ATOM 0 HA2 GLY A 39 -6.203 21.934 -30.968 1.00 24.34 H new ATOM 0 HA3 GLY A 39 -6.031 21.154 -29.408 1.00 24.34 H new ATOM 554 N SER A 40 -8.239 23.057 -30.214 1.00 23.21 N ATOM 555 CA SER A 40 -9.422 23.849 -29.899 1.00 43.14 C ATOM 556 C SER A 40 -10.650 22.993 -30.146 1.00 45.10 C ATOM 557 O SER A 40 -10.541 21.933 -30.750 1.00 23.33 O ATOM 558 CB SER A 40 -9.449 25.089 -30.792 1.00 13.11 C ATOM 559 OG SER A 40 -8.318 25.903 -30.548 1.00 1.30 O ATOM 0 H SER A 40 -8.267 22.619 -31.135 1.00 23.21 H new ATOM 0 HA SER A 40 -9.405 24.169 -28.857 1.00 43.14 H new ATOM 0 HB2 SER A 40 -9.469 24.789 -31.840 1.00 13.11 H new ATOM 0 HB3 SER A 40 -10.360 25.658 -30.606 1.00 13.11 H new ATOM 0 HG SER A 40 -7.505 25.419 -30.804 1.00 1.30 H new ATOM 565 N SER A 41 -11.819 23.451 -29.723 1.00 14.34 N ATOM 566 CA SER A 41 -13.056 22.682 -29.897 1.00 54.33 C ATOM 567 C SER A 41 -13.349 22.316 -31.357 1.00 35.54 C ATOM 568 O SER A 41 -13.895 21.254 -31.633 1.00 40.40 O ATOM 569 CB SER A 41 -14.229 23.471 -29.324 1.00 12.35 C ATOM 570 OG SER A 41 -13.910 23.920 -28.017 1.00 61.11 O ATOM 0 H SER A 41 -11.944 24.350 -29.257 1.00 14.34 H new ATOM 0 HA SER A 41 -12.919 21.743 -29.361 1.00 54.33 H new ATOM 0 HB2 SER A 41 -14.456 24.322 -29.966 1.00 12.35 H new ATOM 0 HB3 SER A 41 -15.122 22.846 -29.297 1.00 12.35 H new ATOM 0 HG SER A 41 -14.665 24.428 -27.652 1.00 61.11 H new ATOM 576 N ALA A 42 -12.947 23.165 -32.293 1.00 12.53 N ATOM 577 CA ALA A 42 -13.123 22.866 -33.713 1.00 40.13 C ATOM 578 C ALA A 42 -12.255 21.660 -34.122 1.00 33.04 C ATOM 579 O ALA A 42 -12.703 20.770 -34.841 1.00 44.02 O ATOM 580 CB ALA A 42 -12.761 24.099 -34.557 1.00 3.21 C ATOM 0 H ALA A 42 -12.500 24.061 -32.100 1.00 12.53 H new ATOM 0 HA ALA A 42 -14.168 22.611 -33.892 1.00 40.13 H new ATOM 0 HB1 ALA A 42 -12.895 23.868 -35.614 1.00 3.21 H new ATOM 0 HB2 ALA A 42 -13.409 24.931 -34.282 1.00 3.21 H new ATOM 0 HB3 ALA A 42 -11.722 24.373 -34.374 1.00 3.21 H new ATOM 586 N LEU A 43 -11.023 21.623 -33.634 1.00 51.23 N ATOM 587 CA LEU A 43 -10.127 20.506 -33.913 1.00 24.24 C ATOM 588 C LEU A 43 -10.598 19.261 -33.179 1.00 31.42 C ATOM 589 O LEU A 43 -10.417 18.157 -33.670 1.00 31.42 O ATOM 590 CB LEU A 43 -8.684 20.837 -33.506 1.00 53.41 C ATOM 591 CG LEU A 43 -7.925 21.813 -34.424 1.00 64.31 C ATOM 592 CD1 LEU A 43 -6.579 22.161 -33.805 1.00 53.21 C ATOM 593 CD2 LEU A 43 -7.703 21.209 -35.814 1.00 43.13 C ATOM 0 H LEU A 43 -10.620 22.351 -33.044 1.00 51.23 H new ATOM 0 HA LEU A 43 -10.145 20.321 -34.987 1.00 24.24 H new ATOM 0 HB2 LEU A 43 -8.699 21.255 -32.500 1.00 53.41 H new ATOM 0 HB3 LEU A 43 -8.120 19.906 -33.456 1.00 53.41 H new ATOM 0 HG LEU A 43 -8.529 22.714 -34.531 1.00 64.31 H new ATOM 0 HD11 LEU A 43 -6.046 22.852 -34.458 1.00 53.21 H new ATOM 0 HD12 LEU A 43 -6.736 22.629 -32.833 1.00 53.21 H new ATOM 0 HD13 LEU A 43 -5.990 21.252 -33.680 1.00 53.21 H new ATOM 0 HD21 LEU A 43 -7.165 21.922 -36.439 1.00 43.13 H new ATOM 0 HD22 LEU A 43 -7.119 20.293 -35.724 1.00 43.13 H new ATOM 0 HD23 LEU A 43 -8.667 20.982 -36.270 1.00 43.13 H new ATOM 605 N ALA A 44 -11.244 19.431 -32.032 1.00 64.20 N ATOM 606 CA ALA A 44 -11.796 18.293 -31.302 1.00 54.41 C ATOM 607 C ALA A 44 -12.881 17.598 -32.130 1.00 10.15 C ATOM 608 O ALA A 44 -12.985 16.403 -32.140 1.00 64.24 O ATOM 609 CB ALA A 44 -12.345 18.748 -29.937 1.00 44.31 C ATOM 0 H ALA A 44 -11.399 20.337 -31.589 1.00 64.20 H new ATOM 0 HA ALA A 44 -10.998 17.572 -31.123 1.00 54.41 H new ATOM 0 HB1 ALA A 44 -12.753 17.889 -29.404 1.00 44.31 H new ATOM 0 HB2 ALA A 44 -11.540 19.190 -29.350 1.00 44.31 H new ATOM 0 HB3 ALA A 44 -13.131 19.488 -30.089 1.00 44.31 H new ATOM 615 N MET A 45 -13.665 18.375 -32.878 1.00 24.14 N ATOM 616 CA MET A 45 -14.671 17.792 -33.750 1.00 11.40 C ATOM 617 C MET A 45 -14.006 17.036 -34.905 1.00 21.40 C ATOM 618 O MET A 45 -14.439 15.943 -35.276 1.00 52.22 O ATOM 619 CB MET A 45 -15.599 18.870 -34.328 1.00 23.42 C ATOM 620 CG MET A 45 -16.481 19.542 -33.280 1.00 43.21 C ATOM 621 SD MET A 45 -17.642 18.368 -32.549 1.00 31.02 S ATOM 622 CE MET A 45 -18.780 19.475 -31.710 1.00 65.40 C ATOM 0 H MET A 45 -13.621 19.394 -32.895 1.00 24.14 H new ATOM 0 HA MET A 45 -15.262 17.101 -33.149 1.00 11.40 H new ATOM 0 HB2 MET A 45 -14.995 19.630 -34.824 1.00 23.42 H new ATOM 0 HB3 MET A 45 -16.234 18.420 -35.091 1.00 23.42 H new ATOM 0 HG2 MET A 45 -15.856 19.973 -32.498 1.00 43.21 H new ATOM 0 HG3 MET A 45 -17.031 20.364 -33.738 1.00 43.21 H new ATOM 0 HE1 MET A 45 -19.554 18.892 -31.212 1.00 65.40 H new ATOM 0 HE2 MET A 45 -18.237 20.063 -30.971 1.00 65.40 H new ATOM 0 HE3 MET A 45 -19.241 20.143 -32.438 1.00 65.40 H new ATOM 632 N ARG A 46 -12.910 17.567 -35.436 1.00 14.34 N ATOM 633 CA ARG A 46 -12.143 16.877 -36.481 1.00 31.13 C ATOM 634 C ARG A 46 -11.552 15.576 -35.941 1.00 74.35 C ATOM 635 O ARG A 46 -11.515 14.575 -36.637 1.00 73.44 O ATOM 636 CB ARG A 46 -11.014 17.781 -36.988 1.00 63.34 C ATOM 637 CG ARG A 46 -10.947 17.871 -38.507 1.00 65.15 C ATOM 638 CD ARG A 46 -9.538 17.568 -39.054 1.00 43.11 C ATOM 639 NE ARG A 46 -8.541 18.598 -38.705 1.00 13.01 N ATOM 640 CZ ARG A 46 -7.222 18.471 -38.845 1.00 5.04 C ATOM 641 NH1 ARG A 46 -6.659 17.379 -39.305 1.00 61.25 N ATOM 642 NH2 ARG A 46 -6.453 19.463 -38.507 1.00 55.44 N ATOM 0 H ARG A 46 -12.528 18.473 -35.164 1.00 14.34 H new ATOM 0 HA ARG A 46 -12.818 16.644 -37.305 1.00 31.13 H new ATOM 0 HB2 ARG A 46 -11.148 18.782 -36.578 1.00 63.34 H new ATOM 0 HB3 ARG A 46 -10.062 17.407 -36.611 1.00 63.34 H new ATOM 0 HG2 ARG A 46 -11.660 17.170 -38.941 1.00 65.15 H new ATOM 0 HG3 ARG A 46 -11.249 18.870 -38.822 1.00 65.15 H new ATOM 0 HD2 ARG A 46 -9.205 16.605 -38.667 1.00 43.11 H new ATOM 0 HD3 ARG A 46 -9.589 17.475 -40.139 1.00 43.11 H new ATOM 0 HE ARG A 46 -8.890 19.478 -38.326 1.00 13.01 H new ATOM 0 HH11 ARG A 46 -7.236 16.582 -39.573 1.00 61.25 H new ATOM 0 HH12 ARG A 46 -5.644 17.327 -39.395 1.00 61.25 H new ATOM 0 HH21 ARG A 46 -6.861 20.323 -38.141 1.00 55.44 H new ATOM 0 HH22 ARG A 46 -5.441 19.381 -38.608 1.00 55.44 H new ATOM 656 N LEU A 47 -11.118 15.607 -34.689 1.00 74.12 N ATOM 657 CA LEU A 47 -10.565 14.436 -34.011 1.00 5.14 C ATOM 658 C LEU A 47 -11.616 13.352 -33.910 1.00 31.04 C ATOM 659 O LEU A 47 -11.387 12.221 -34.269 1.00 73.15 O ATOM 660 CB LEU A 47 -10.056 14.817 -32.623 1.00 64.14 C ATOM 661 CG LEU A 47 -9.461 13.706 -31.751 1.00 32.43 C ATOM 662 CD1 LEU A 47 -8.245 13.036 -32.365 1.00 31.23 C ATOM 663 CD2 LEU A 47 -9.055 14.329 -30.424 1.00 42.14 C ATOM 0 H LEU A 47 -11.138 16.447 -34.110 1.00 74.12 H new ATOM 0 HA LEU A 47 -9.725 14.056 -34.593 1.00 5.14 H new ATOM 0 HB2 LEU A 47 -9.297 15.590 -32.745 1.00 64.14 H new ATOM 0 HB3 LEU A 47 -10.884 15.267 -32.074 1.00 64.14 H new ATOM 0 HG LEU A 47 -10.220 12.932 -31.638 1.00 32.43 H new ATOM 0 HD11 LEU A 47 -7.878 12.261 -31.692 1.00 31.23 H new ATOM 0 HD12 LEU A 47 -8.520 12.588 -33.320 1.00 31.23 H new ATOM 0 HD13 LEU A 47 -7.463 13.778 -32.525 1.00 31.23 H new ATOM 0 HD21 LEU A 47 -8.627 13.563 -29.778 1.00 42.14 H new ATOM 0 HD22 LEU A 47 -8.316 15.110 -30.600 1.00 42.14 H new ATOM 0 HD23 LEU A 47 -9.932 14.761 -29.942 1.00 42.14 H new ATOM 675 N ILE A 48 -12.822 13.731 -33.460 1.00 42.35 N ATOM 676 CA ILE A 48 -13.919 12.770 -33.318 1.00 13.31 C ATOM 677 C ILE A 48 -14.242 12.136 -34.668 1.00 1.12 C ATOM 678 O ILE A 48 -14.516 10.943 -34.737 1.00 34.20 O ATOM 679 CB ILE A 48 -15.177 13.462 -32.745 1.00 5.22 C ATOM 680 CG1 ILE A 48 -14.921 13.894 -31.278 1.00 32.42 C ATOM 681 CG2 ILE A 48 -16.410 12.519 -32.784 1.00 61.42 C ATOM 682 CD1 ILE A 48 -15.826 14.998 -30.788 1.00 23.22 C ATOM 0 H ILE A 48 -13.058 14.686 -33.192 1.00 42.35 H new ATOM 0 HA ILE A 48 -13.605 11.989 -32.625 1.00 13.31 H new ATOM 0 HB ILE A 48 -15.385 14.335 -33.364 1.00 5.22 H new ATOM 0 HG12 ILE A 48 -15.042 13.026 -30.630 1.00 32.42 H new ATOM 0 HG13 ILE A 48 -13.885 14.220 -31.183 1.00 32.42 H new ATOM 0 HG21 ILE A 48 -17.277 13.037 -32.374 1.00 61.42 H new ATOM 0 HG22 ILE A 48 -16.614 12.230 -33.815 1.00 61.42 H new ATOM 0 HG23 ILE A 48 -16.205 11.628 -32.191 1.00 61.42 H new ATOM 0 HD11 ILE A 48 -15.579 15.238 -29.754 1.00 23.22 H new ATOM 0 HD12 ILE A 48 -15.689 15.883 -31.409 1.00 23.22 H new ATOM 0 HD13 ILE A 48 -16.864 14.671 -30.847 1.00 23.22 H new ATOM 694 N ALA A 49 -14.207 12.915 -35.744 1.00 20.10 N ATOM 695 CA ALA A 49 -14.475 12.360 -37.073 1.00 21.45 C ATOM 696 C ALA A 49 -13.460 11.264 -37.395 1.00 25.55 C ATOM 697 O ALA A 49 -13.812 10.217 -37.922 1.00 63.23 O ATOM 698 CB ALA A 49 -14.410 13.471 -38.130 1.00 55.34 C ATOM 0 H ALA A 49 -14.000 13.914 -35.728 1.00 20.10 H new ATOM 0 HA ALA A 49 -15.475 11.927 -37.082 1.00 21.45 H new ATOM 0 HB1 ALA A 49 -14.611 13.049 -39.115 1.00 55.34 H new ATOM 0 HB2 ALA A 49 -15.156 14.233 -37.903 1.00 55.34 H new ATOM 0 HB3 ALA A 49 -13.417 13.922 -38.124 1.00 55.34 H new ATOM 704 N ARG A 50 -12.206 11.504 -37.052 1.00 53.30 N ATOM 705 CA ARG A 50 -11.147 10.540 -37.306 1.00 5.24 C ATOM 706 C ARG A 50 -11.237 9.334 -36.403 1.00 61.25 C ATOM 707 O ARG A 50 -11.040 8.196 -36.893 1.00 40.22 O ATOM 708 CB ARG A 50 -9.812 11.235 -37.109 1.00 71.41 C ATOM 709 CG ARG A 50 -8.677 10.623 -37.872 1.00 44.34 C ATOM 710 CD ARG A 50 -8.429 11.303 -39.181 1.00 14.41 C ATOM 711 NE ARG A 50 -7.247 10.758 -39.868 1.00 42.24 N ATOM 712 CZ ARG A 50 -7.265 9.817 -40.811 1.00 0.43 C ATOM 713 NH1 ARG A 50 -8.351 9.223 -41.215 1.00 52.25 N ATOM 714 NH2 ARG A 50 -6.135 9.487 -41.369 1.00 13.02 N ATOM 0 H ARG A 50 -11.895 12.361 -36.595 1.00 53.30 H new ATOM 0 HA ARG A 50 -11.251 10.176 -38.328 1.00 5.24 H new ATOM 0 HB2 ARG A 50 -9.912 12.279 -37.406 1.00 71.41 H new ATOM 0 HB3 ARG A 50 -9.566 11.228 -36.047 1.00 71.41 H new ATOM 0 HG2 ARG A 50 -7.772 10.668 -37.267 1.00 44.34 H new ATOM 0 HG3 ARG A 50 -8.890 9.569 -38.049 1.00 44.34 H new ATOM 0 HD2 ARG A 50 -9.305 11.190 -39.820 1.00 14.41 H new ATOM 0 HD3 ARG A 50 -8.292 12.371 -39.015 1.00 14.41 H new ATOM 0 HE ARG A 50 -6.337 11.132 -39.599 1.00 42.24 H new ATOM 0 HH11 ARG A 50 -9.251 9.472 -40.805 1.00 52.25 H new ATOM 0 HH12 ARG A 50 -8.302 8.509 -41.942 1.00 52.25 H new ATOM 0 HH21 ARG A 50 -5.271 9.946 -41.081 1.00 13.02 H new ATOM 0 HH22 ARG A 50 -6.115 8.770 -42.094 1.00 13.02 H new ATOM 728 N ILE A 51 -11.637 9.494 -35.144 1.00 1.41 N ATOM 729 CA ILE A 51 -11.838 8.366 -34.223 1.00 4.53 C ATOM 730 C ILE A 51 -12.904 7.374 -34.795 1.00 52.25 C ATOM 731 O ILE A 51 -12.780 6.190 -34.613 1.00 62.23 O ATOM 732 CB ILE A 51 -12.312 8.863 -32.795 1.00 54.11 C ATOM 733 CG1 ILE A 51 -11.248 9.700 -32.104 1.00 15.52 C ATOM 734 CG2 ILE A 51 -12.642 7.652 -31.914 1.00 50.11 C ATOM 735 CD1 ILE A 51 -11.715 10.432 -30.799 1.00 62.35 C ATOM 0 H ILE A 51 -11.832 10.405 -34.729 1.00 1.41 H new ATOM 0 HA ILE A 51 -10.879 7.858 -34.120 1.00 4.53 H new ATOM 0 HB ILE A 51 -13.195 9.486 -32.939 1.00 54.11 H new ATOM 0 HG12 ILE A 51 -10.405 9.055 -31.857 1.00 15.52 H new ATOM 0 HG13 ILE A 51 -10.882 10.447 -32.809 1.00 15.52 H new ATOM 0 HG21 ILE A 51 -12.968 7.995 -30.932 1.00 50.11 H new ATOM 0 HG22 ILE A 51 -13.439 7.071 -32.378 1.00 50.11 H new ATOM 0 HG23 ILE A 51 -11.754 7.029 -31.805 1.00 50.11 H new ATOM 0 HD11 ILE A 51 -10.883 11.001 -30.384 1.00 62.35 H new ATOM 0 HD12 ILE A 51 -12.536 11.109 -31.036 1.00 62.35 H new ATOM 0 HD13 ILE A 51 -12.051 9.696 -30.069 1.00 62.35 H new ATOM 747 N ARG A 52 -13.920 7.875 -35.473 1.00 44.21 N ATOM 748 CA ARG A 52 -14.962 6.986 -36.045 1.00 44.24 C ATOM 749 C ARG A 52 -14.386 6.045 -37.102 1.00 32.30 C ATOM 750 O ARG A 52 -14.890 4.953 -37.273 1.00 60.22 O ATOM 751 CB ARG A 52 -16.052 7.791 -36.682 1.00 23.42 C ATOM 752 CG ARG A 52 -16.838 8.613 -35.719 1.00 51.05 C ATOM 753 CD ARG A 52 -17.523 9.734 -36.516 1.00 15.14 C ATOM 754 NE ARG A 52 -18.968 9.647 -36.352 1.00 42.15 N ATOM 755 CZ ARG A 52 -19.842 10.266 -37.125 1.00 62.01 C ATOM 756 NH1 ARG A 52 -19.483 11.015 -38.152 1.00 2.23 N ATOM 757 NH2 ARG A 52 -21.102 10.130 -36.878 1.00 1.41 N ATOM 0 H ARG A 52 -14.062 8.870 -35.649 1.00 44.21 H new ATOM 0 HA ARG A 52 -15.359 6.397 -35.218 1.00 44.24 H new ATOM 0 HB2 ARG A 52 -15.613 8.449 -37.432 1.00 23.42 H new ATOM 0 HB3 ARG A 52 -16.729 7.117 -37.206 1.00 23.42 H new ATOM 0 HG2 ARG A 52 -17.579 7.999 -35.207 1.00 51.05 H new ATOM 0 HG3 ARG A 52 -16.186 9.032 -34.952 1.00 51.05 H new ATOM 0 HD2 ARG A 52 -17.167 10.706 -36.173 1.00 15.14 H new ATOM 0 HD3 ARG A 52 -17.262 9.653 -37.571 1.00 15.14 H new ATOM 0 HE ARG A 52 -19.328 9.071 -35.591 1.00 42.15 H new ATOM 0 HH11 ARG A 52 -18.495 11.134 -38.376 1.00 2.23 H new ATOM 0 HH12 ARG A 52 -20.194 11.474 -38.721 1.00 2.23 H new ATOM 0 HH21 ARG A 52 -21.409 9.552 -36.096 1.00 1.41 H new ATOM 0 HH22 ARG A 52 -21.791 10.601 -37.465 1.00 1.41 H new ATOM 771 N GLU A 53 -13.367 6.509 -37.819 1.00 45.44 N ATOM 772 CA GLU A 53 -12.793 5.713 -38.905 1.00 40.11 C ATOM 773 C GLU A 53 -11.966 4.601 -38.306 1.00 43.12 C ATOM 774 O GLU A 53 -11.849 3.505 -38.849 1.00 33.44 O ATOM 775 CB GLU A 53 -11.884 6.588 -39.777 1.00 63.23 C ATOM 776 CG GLU A 53 -12.578 7.789 -40.427 1.00 43.42 C ATOM 777 CD GLU A 53 -11.604 8.665 -41.217 1.00 64.33 C ATOM 778 OE1 GLU A 53 -11.275 8.309 -42.367 1.00 43.20 O ATOM 779 OE2 GLU A 53 -11.158 9.706 -40.684 1.00 45.32 O ATOM 0 H GLU A 53 -12.926 7.417 -37.673 1.00 45.44 H new ATOM 0 HA GLU A 53 -13.598 5.307 -39.518 1.00 40.11 H new ATOM 0 HB2 GLU A 53 -11.058 6.951 -39.166 1.00 63.23 H new ATOM 0 HB3 GLU A 53 -11.451 5.968 -40.562 1.00 63.23 H new ATOM 0 HG2 GLU A 53 -13.366 7.435 -41.092 1.00 43.42 H new ATOM 0 HG3 GLU A 53 -13.059 8.390 -39.655 1.00 43.42 H new ATOM 786 N GLU A 54 -11.386 4.927 -37.163 1.00 70.32 N ATOM 787 CA GLU A 54 -10.444 4.018 -36.505 1.00 42.03 C ATOM 788 C GLU A 54 -11.046 3.043 -35.532 1.00 44.11 C ATOM 789 O GLU A 54 -10.757 1.866 -35.509 1.00 14.50 O ATOM 790 CB GLU A 54 -9.406 4.868 -35.756 1.00 44.45 C ATOM 791 CG GLU A 54 -8.498 5.699 -36.674 1.00 43.42 C ATOM 792 CD GLU A 54 -7.295 4.933 -37.226 1.00 12.13 C ATOM 793 OE1 GLU A 54 -7.048 3.779 -36.814 1.00 72.42 O ATOM 794 OE2 GLU A 54 -6.559 5.531 -38.040 1.00 42.43 O ATOM 0 H GLU A 54 -11.545 5.805 -36.670 1.00 70.32 H new ATOM 0 HA GLU A 54 -10.017 3.408 -37.301 1.00 42.03 H new ATOM 0 HB2 GLU A 54 -9.926 5.539 -35.073 1.00 44.45 H new ATOM 0 HB3 GLU A 54 -8.785 4.211 -35.147 1.00 44.45 H new ATOM 0 HG2 GLU A 54 -9.090 6.074 -37.509 1.00 43.42 H new ATOM 0 HG3 GLU A 54 -8.139 6.568 -36.122 1.00 43.42 H new ATOM 801 N LEU A 55 -11.822 3.530 -34.579 1.00 3.42 N ATOM 802 CA LEU A 55 -12.359 2.722 -33.467 1.00 40.43 C ATOM 803 C LEU A 55 -13.776 2.269 -33.807 1.00 43.14 C ATOM 804 O LEU A 55 -14.334 1.456 -33.104 1.00 51.40 O ATOM 805 CB LEU A 55 -12.365 3.508 -32.196 1.00 50.43 C ATOM 806 CG LEU A 55 -11.057 4.070 -31.684 1.00 31.30 C ATOM 807 CD1 LEU A 55 -11.314 4.626 -30.300 1.00 44.22 C ATOM 808 CD2 LEU A 55 -9.875 3.127 -31.626 1.00 13.41 C ATOM 0 H LEU A 55 -12.108 4.509 -34.544 1.00 3.42 H new ATOM 0 HA LEU A 55 -11.720 1.850 -33.326 1.00 40.43 H new ATOM 0 HB2 LEU A 55 -13.055 4.342 -32.326 1.00 50.43 H new ATOM 0 HB3 LEU A 55 -12.779 2.871 -31.415 1.00 50.43 H new ATOM 0 HG LEU A 55 -10.755 4.818 -32.417 1.00 31.30 H new ATOM 0 HD11 LEU A 55 -10.390 5.041 -29.897 1.00 44.22 H new ATOM 0 HD12 LEU A 55 -12.069 5.410 -30.357 1.00 44.22 H new ATOM 0 HD13 LEU A 55 -11.668 3.828 -29.647 1.00 44.22 H new ATOM 0 HD21 LEU A 55 -9.004 3.658 -31.241 1.00 13.41 H new ATOM 0 HD22 LEU A 55 -10.109 2.290 -30.968 1.00 13.41 H new ATOM 0 HD23 LEU A 55 -9.659 2.753 -32.627 1.00 13.41 H new ATOM 820 N GLY A 56 -14.285 2.826 -34.901 1.00 22.14 N ATOM 821 CA GLY A 56 -15.621 2.471 -35.332 1.00 62.21 C ATOM 822 C GLY A 56 -16.722 3.002 -34.449 1.00 33.01 C ATOM 823 O GLY A 56 -17.818 2.451 -34.405 1.00 33.00 O ATOM 0 H GLY A 56 -13.803 3.507 -35.488 1.00 22.14 H new ATOM 0 HA2 GLY A 56 -15.773 2.843 -36.345 1.00 62.21 H new ATOM 0 HA3 GLY A 56 -15.699 1.385 -35.376 1.00 62.21 H new ATOM 827 N VAL A 57 -16.428 4.067 -33.724 1.00 31.43 N ATOM 828 CA VAL A 57 -17.349 4.575 -32.727 1.00 44.54 C ATOM 829 C VAL A 57 -17.351 6.108 -32.636 1.00 24.34 C ATOM 830 O VAL A 57 -16.299 6.751 -32.718 1.00 34.01 O ATOM 831 CB VAL A 57 -17.021 3.939 -31.331 1.00 32.44 C ATOM 832 CG1 VAL A 57 -15.611 4.146 -30.885 1.00 34.44 C ATOM 833 CG2 VAL A 57 -17.953 4.447 -30.279 1.00 61.22 C ATOM 0 H VAL A 57 -15.559 4.595 -33.808 1.00 31.43 H new ATOM 0 HA VAL A 57 -18.353 4.287 -33.038 1.00 44.54 H new ATOM 0 HB VAL A 57 -17.156 2.866 -31.468 1.00 32.44 H new ATOM 0 HG11 VAL A 57 -15.465 3.677 -29.912 1.00 34.44 H new ATOM 0 HG12 VAL A 57 -14.931 3.699 -31.610 1.00 34.44 H new ATOM 0 HG13 VAL A 57 -15.407 5.214 -30.807 1.00 34.44 H new ATOM 0 HG21 VAL A 57 -17.704 3.990 -29.321 1.00 61.22 H new ATOM 0 HG22 VAL A 57 -17.858 5.530 -30.201 1.00 61.22 H new ATOM 0 HG23 VAL A 57 -18.978 4.192 -30.547 1.00 61.22 H new ATOM 843 N ASP A 58 -18.533 6.686 -32.428 1.00 22.14 N ATOM 844 CA ASP A 58 -18.696 8.134 -32.216 1.00 31.21 C ATOM 845 C ASP A 58 -18.208 8.497 -30.816 1.00 61.32 C ATOM 846 O ASP A 58 -18.968 8.465 -29.845 1.00 11.54 O ATOM 847 CB ASP A 58 -20.180 8.531 -32.329 1.00 60.01 C ATOM 848 CG ASP A 58 -20.657 8.635 -33.762 1.00 42.14 C ATOM 849 OD1 ASP A 58 -20.214 7.840 -34.613 1.00 61.32 O ATOM 850 OD2 ASP A 58 -21.428 9.562 -34.059 1.00 73.45 O ATOM 0 H ASP A 58 -19.411 6.167 -32.401 1.00 22.14 H new ATOM 0 HA ASP A 58 -18.118 8.663 -32.974 1.00 31.21 H new ATOM 0 HB2 ASP A 58 -20.788 7.796 -31.802 1.00 60.01 H new ATOM 0 HB3 ASP A 58 -20.333 9.488 -31.830 1.00 60.01 H new ATOM 855 N LEU A 59 -16.932 8.816 -30.699 1.00 34.14 N ATOM 856 CA LEU A 59 -16.376 9.173 -29.405 1.00 31.44 C ATOM 857 C LEU A 59 -16.961 10.533 -28.978 1.00 73.33 C ATOM 858 O LEU A 59 -16.895 11.510 -29.718 1.00 74.53 O ATOM 859 CB LEU A 59 -14.855 9.205 -29.494 1.00 22.43 C ATOM 860 CG LEU A 59 -13.962 9.276 -28.229 1.00 51.22 C ATOM 861 CD1 LEU A 59 -13.992 10.611 -27.543 1.00 4.10 C ATOM 862 CD2 LEU A 59 -14.275 8.172 -27.228 1.00 13.11 C ATOM 0 H LEU A 59 -16.268 8.836 -31.473 1.00 34.14 H new ATOM 0 HA LEU A 59 -16.641 8.433 -28.650 1.00 31.44 H new ATOM 0 HB2 LEU A 59 -14.553 8.313 -30.043 1.00 22.43 H new ATOM 0 HB3 LEU A 59 -14.594 10.064 -30.112 1.00 22.43 H new ATOM 0 HG LEU A 59 -12.950 9.126 -28.605 1.00 51.22 H new ATOM 0 HD11 LEU A 59 -13.344 10.585 -26.667 1.00 4.10 H new ATOM 0 HD12 LEU A 59 -13.642 11.381 -28.230 1.00 4.10 H new ATOM 0 HD13 LEU A 59 -15.012 10.838 -27.233 1.00 4.10 H new ATOM 0 HD21 LEU A 59 -13.620 8.270 -26.362 1.00 13.11 H new ATOM 0 HD22 LEU A 59 -15.314 8.254 -26.909 1.00 13.11 H new ATOM 0 HD23 LEU A 59 -14.115 7.201 -27.696 1.00 13.11 H new ATOM 874 N PRO A 60 -17.572 10.606 -27.787 1.00 53.20 N ATOM 875 CA PRO A 60 -18.199 11.854 -27.340 1.00 15.32 C ATOM 876 C PRO A 60 -17.210 12.976 -27.086 1.00 4.20 C ATOM 877 O PRO A 60 -16.190 12.777 -26.431 1.00 64.40 O ATOM 878 CB PRO A 60 -18.844 11.460 -25.998 1.00 31.31 C ATOM 879 CG PRO A 60 -18.909 9.992 -26.012 1.00 71.41 C ATOM 880 CD PRO A 60 -17.715 9.551 -26.780 1.00 43.43 C ATOM 0 HA PRO A 60 -18.883 12.234 -28.099 1.00 15.32 H new ATOM 0 HB2 PRO A 60 -18.251 11.819 -25.157 1.00 31.31 H new ATOM 0 HB3 PRO A 60 -19.838 11.896 -25.897 1.00 31.31 H new ATOM 0 HG2 PRO A 60 -18.896 9.589 -25.000 1.00 71.41 H new ATOM 0 HG3 PRO A 60 -19.829 9.644 -26.482 1.00 71.41 H new ATOM 0 HD2 PRO A 60 -16.832 9.474 -26.146 1.00 43.43 H new ATOM 0 HD3 PRO A 60 -17.866 8.573 -27.237 1.00 43.43 H new ATOM 888 N ILE A 61 -17.576 14.200 -27.442 1.00 34.10 N ATOM 889 CA ILE A 61 -16.743 15.367 -27.096 1.00 32.41 C ATOM 890 C ILE A 61 -16.690 15.515 -25.563 1.00 51.01 C ATOM 891 O ILE A 61 -15.746 16.067 -25.012 1.00 2.30 O ATOM 892 CB ILE A 61 -17.244 16.661 -27.787 1.00 3.22 C ATOM 893 CG1 ILE A 61 -16.104 17.695 -27.820 1.00 31.42 C ATOM 894 CG2 ILE A 61 -18.522 17.231 -27.103 1.00 65.54 C ATOM 895 CD1 ILE A 61 -16.312 18.843 -28.811 1.00 43.24 C ATOM 0 H ILE A 61 -18.426 14.419 -27.961 1.00 34.10 H new ATOM 0 HA ILE A 61 -15.732 15.202 -27.468 1.00 32.41 H new ATOM 0 HB ILE A 61 -17.532 16.421 -28.810 1.00 3.22 H new ATOM 0 HG12 ILE A 61 -15.982 18.113 -26.821 1.00 31.42 H new ATOM 0 HG13 ILE A 61 -15.174 17.183 -28.068 1.00 31.42 H new ATOM 0 HG21 ILE A 61 -18.838 18.137 -27.620 1.00 65.54 H new ATOM 0 HG22 ILE A 61 -19.320 16.490 -27.149 1.00 65.54 H new ATOM 0 HG23 ILE A 61 -18.303 17.465 -26.061 1.00 65.54 H new ATOM 0 HD11 ILE A 61 -15.460 19.522 -28.766 1.00 43.24 H new ATOM 0 HD12 ILE A 61 -16.402 18.441 -29.820 1.00 43.24 H new ATOM 0 HD13 ILE A 61 -17.222 19.385 -28.554 1.00 43.24 H new ATOM 907 N ARG A 62 -17.670 14.945 -24.872 1.00 33.11 N ATOM 908 CA ARG A 62 -17.680 14.933 -23.404 1.00 4.05 C ATOM 909 C ARG A 62 -16.463 14.212 -22.855 1.00 14.20 C ATOM 910 O ARG A 62 -15.910 14.613 -21.849 1.00 22.13 O ATOM 911 CB ARG A 62 -18.943 14.270 -22.851 1.00 21.35 C ATOM 912 CG ARG A 62 -20.220 14.955 -23.260 1.00 22.42 C ATOM 913 CD ARG A 62 -21.357 14.613 -22.279 1.00 1.43 C ATOM 914 NE ARG A 62 -21.746 13.183 -22.303 1.00 2.33 N ATOM 915 CZ ARG A 62 -21.939 12.414 -21.232 1.00 75.11 C ATOM 916 NH1 ARG A 62 -21.793 12.855 -20.001 1.00 33.23 N ATOM 917 NH2 ARG A 62 -22.290 11.169 -21.405 1.00 15.54 N ATOM 0 H ARG A 62 -18.472 14.483 -25.301 1.00 33.11 H new ATOM 0 HA ARG A 62 -17.661 15.975 -23.084 1.00 4.05 H new ATOM 0 HB2 ARG A 62 -18.974 13.234 -23.187 1.00 21.35 H new ATOM 0 HB3 ARG A 62 -18.885 14.251 -21.763 1.00 21.35 H new ATOM 0 HG2 ARG A 62 -20.068 16.034 -23.287 1.00 22.42 H new ATOM 0 HG3 ARG A 62 -20.497 14.647 -24.268 1.00 22.42 H new ATOM 0 HD2 ARG A 62 -21.048 14.881 -21.269 1.00 1.43 H new ATOM 0 HD3 ARG A 62 -22.228 15.223 -22.518 1.00 1.43 H new ATOM 0 HE ARG A 62 -21.877 12.751 -23.217 1.00 2.33 H new ATOM 0 HH11 ARG A 62 -21.521 13.824 -19.835 1.00 33.23 H new ATOM 0 HH12 ARG A 62 -21.952 12.228 -19.212 1.00 33.23 H new ATOM 0 HH21 ARG A 62 -22.412 10.800 -22.348 1.00 15.54 H new ATOM 0 HH22 ARG A 62 -22.442 10.565 -20.597 1.00 15.54 H new ATOM 931 N GLN A 63 -16.039 13.130 -23.508 1.00 60.05 N ATOM 932 CA GLN A 63 -14.903 12.348 -23.028 1.00 3.41 C ATOM 933 C GLN A 63 -13.639 13.175 -23.170 1.00 41.45 C ATOM 934 O GLN A 63 -12.792 13.174 -22.288 1.00 3.13 O ATOM 935 CB GLN A 63 -14.784 11.049 -23.828 1.00 43.43 C ATOM 936 CG GLN A 63 -15.156 9.807 -23.032 1.00 72.04 C ATOM 937 CD GLN A 63 -16.644 9.485 -23.037 1.00 52.21 C ATOM 938 OE1 GLN A 63 -17.051 8.436 -23.509 1.00 3.42 O ATOM 939 NE2 GLN A 63 -17.456 10.366 -22.502 1.00 45.41 N ATOM 0 H GLN A 63 -16.463 12.778 -24.366 1.00 60.05 H new ATOM 0 HA GLN A 63 -15.051 12.091 -21.979 1.00 3.41 H new ATOM 0 HB2 GLN A 63 -15.426 11.113 -24.706 1.00 43.43 H new ATOM 0 HB3 GLN A 63 -13.760 10.946 -24.188 1.00 43.43 H new ATOM 0 HG2 GLN A 63 -14.610 8.954 -23.435 1.00 72.04 H new ATOM 0 HG3 GLN A 63 -14.827 9.938 -22.001 1.00 72.04 H new ATOM 0 HE21 GLN A 63 -17.084 11.234 -22.116 1.00 45.41 H new ATOM 0 HE22 GLN A 63 -18.459 10.183 -22.472 1.00 45.41 H new ATOM 948 N LEU A 64 -13.533 13.906 -24.282 1.00 15.41 N ATOM 949 CA LEU A 64 -12.377 14.777 -24.525 1.00 61.42 C ATOM 950 C LEU A 64 -12.319 15.909 -23.510 1.00 32.14 C ATOM 951 O LEU A 64 -11.261 16.215 -22.985 1.00 33.04 O ATOM 952 CB LEU A 64 -12.460 15.354 -25.942 1.00 11.23 C ATOM 953 CG LEU A 64 -12.102 14.346 -27.061 1.00 60.02 C ATOM 954 CD1 LEU A 64 -12.625 14.817 -28.403 1.00 54.44 C ATOM 955 CD2 LEU A 64 -10.584 14.178 -27.145 1.00 63.11 C ATOM 0 H LEU A 64 -14.230 13.914 -25.027 1.00 15.41 H new ATOM 0 HA LEU A 64 -11.470 14.182 -24.421 1.00 61.42 H new ATOM 0 HB2 LEU A 64 -13.471 15.725 -26.112 1.00 11.23 H new ATOM 0 HB3 LEU A 64 -11.790 16.211 -26.013 1.00 11.23 H new ATOM 0 HG LEU A 64 -12.568 13.391 -26.817 1.00 60.02 H new ATOM 0 HD11 LEU A 64 -12.360 14.091 -29.172 1.00 54.44 H new ATOM 0 HD12 LEU A 64 -13.709 14.917 -28.356 1.00 54.44 H new ATOM 0 HD13 LEU A 64 -12.182 15.782 -28.648 1.00 54.44 H new ATOM 0 HD21 LEU A 64 -10.340 13.467 -27.935 1.00 63.11 H new ATOM 0 HD22 LEU A 64 -10.123 15.140 -27.368 1.00 63.11 H new ATOM 0 HD23 LEU A 64 -10.206 13.806 -26.193 1.00 63.11 H new ATOM 967 N PHE A 65 -13.456 16.512 -23.211 1.00 63.33 N ATOM 968 CA PHE A 65 -13.489 17.596 -22.237 1.00 63.41 C ATOM 969 C PHE A 65 -13.236 17.090 -20.812 1.00 2.50 C ATOM 970 O PHE A 65 -12.690 17.812 -19.989 1.00 44.42 O ATOM 971 CB PHE A 65 -14.829 18.335 -22.295 1.00 44.12 C ATOM 972 CG PHE A 65 -15.052 19.141 -23.573 1.00 34.22 C ATOM 973 CD1 PHE A 65 -13.991 19.461 -24.463 1.00 73.22 C ATOM 974 CD2 PHE A 65 -16.348 19.609 -23.876 1.00 71.34 C ATOM 975 CE1 PHE A 65 -14.227 20.242 -25.623 1.00 32.01 C ATOM 976 CE2 PHE A 65 -16.590 20.388 -25.036 1.00 51.21 C ATOM 977 CZ PHE A 65 -15.524 20.709 -25.905 1.00 70.34 C ATOM 0 H PHE A 65 -14.360 16.276 -23.621 1.00 63.33 H new ATOM 0 HA PHE A 65 -12.687 18.286 -22.498 1.00 63.41 H new ATOM 0 HB2 PHE A 65 -15.635 17.608 -22.193 1.00 44.12 H new ATOM 0 HB3 PHE A 65 -14.896 19.007 -21.440 1.00 44.12 H new ATOM 0 HD1 PHE A 65 -12.993 19.105 -24.253 1.00 73.22 H new ATOM 0 HD2 PHE A 65 -17.168 19.370 -23.215 1.00 71.34 H new ATOM 0 HE1 PHE A 65 -13.411 20.478 -26.290 1.00 32.01 H new ATOM 0 HE2 PHE A 65 -17.589 20.736 -25.255 1.00 51.21 H new ATOM 0 HZ PHE A 65 -15.704 21.311 -26.783 1.00 70.34 H new ATOM 987 N SER A 66 -13.617 15.852 -20.528 1.00 2.35 N ATOM 988 CA SER A 66 -13.398 15.270 -19.198 1.00 34.12 C ATOM 989 C SER A 66 -11.922 14.969 -18.965 1.00 4.41 C ATOM 990 O SER A 66 -11.445 14.975 -17.833 1.00 31.23 O ATOM 991 CB SER A 66 -14.187 13.966 -19.049 1.00 4.03 C ATOM 992 OG SER A 66 -15.576 14.185 -19.230 1.00 54.25 O ATOM 0 H SER A 66 -14.077 15.229 -21.192 1.00 2.35 H new ATOM 0 HA SER A 66 -13.738 16.000 -18.464 1.00 34.12 H new ATOM 0 HB2 SER A 66 -13.833 13.238 -19.779 1.00 4.03 H new ATOM 0 HB3 SER A 66 -14.009 13.540 -18.061 1.00 4.03 H new ATOM 0 HG SER A 66 -15.795 14.128 -20.184 1.00 54.25 H new ATOM 998 N SER A 67 -11.208 14.658 -20.037 1.00 11.34 N ATOM 999 CA SER A 67 -9.788 14.325 -19.956 1.00 11.33 C ATOM 1000 C SER A 67 -9.123 14.628 -21.300 1.00 44.03 C ATOM 1001 O SER A 67 -9.165 13.804 -22.204 1.00 21.42 O ATOM 1002 CB SER A 67 -9.618 12.845 -19.635 1.00 32.11 C ATOM 1003 OG SER A 67 -10.159 12.536 -18.361 1.00 3.31 O ATOM 0 H SER A 67 -11.590 14.629 -20.982 1.00 11.34 H new ATOM 0 HA SER A 67 -9.324 14.919 -19.168 1.00 11.33 H new ATOM 0 HB2 SER A 67 -10.112 12.244 -20.399 1.00 32.11 H new ATOM 0 HB3 SER A 67 -8.560 12.583 -19.658 1.00 32.11 H new ATOM 0 HG SER A 67 -10.040 11.581 -18.178 1.00 3.31 H new ATOM 1009 N PRO A 68 -8.518 15.820 -21.457 1.00 34.12 N ATOM 1010 CA PRO A 68 -7.967 16.224 -22.760 1.00 44.21 C ATOM 1011 C PRO A 68 -6.606 15.617 -23.134 1.00 21.11 C ATOM 1012 O PRO A 68 -5.825 16.257 -23.829 1.00 33.11 O ATOM 1013 CB PRO A 68 -7.856 17.747 -22.601 1.00 30.23 C ATOM 1014 CG PRO A 68 -7.510 17.918 -21.183 1.00 44.14 C ATOM 1015 CD PRO A 68 -8.376 16.906 -20.467 1.00 52.34 C ATOM 0 HA PRO A 68 -8.603 15.873 -23.573 1.00 44.21 H new ATOM 0 HB2 PRO A 68 -7.090 18.164 -23.255 1.00 30.23 H new ATOM 0 HB3 PRO A 68 -8.793 18.246 -22.849 1.00 30.23 H new ATOM 0 HG2 PRO A 68 -6.451 17.732 -21.006 1.00 44.14 H new ATOM 0 HG3 PRO A 68 -7.717 18.932 -20.842 1.00 44.14 H new ATOM 0 HD2 PRO A 68 -7.907 16.554 -19.548 1.00 52.34 H new ATOM 0 HD3 PRO A 68 -9.343 17.327 -20.191 1.00 52.34 H new ATOM 1023 N THR A 69 -6.320 14.391 -22.717 1.00 14.21 N ATOM 1024 CA THR A 69 -5.038 13.739 -23.040 1.00 54.32 C ATOM 1025 C THR A 69 -5.362 12.419 -23.699 1.00 63.33 C ATOM 1026 O THR A 69 -6.425 11.872 -23.443 1.00 50.03 O ATOM 1027 CB THR A 69 -4.178 13.484 -21.785 1.00 50.42 C ATOM 1028 OG1 THR A 69 -4.910 12.706 -20.842 1.00 50.21 O ATOM 1029 CG2 THR A 69 -3.801 14.754 -21.111 1.00 75.41 C ATOM 0 H THR A 69 -6.951 13.821 -22.154 1.00 14.21 H new ATOM 0 HA THR A 69 -4.461 14.393 -23.694 1.00 54.32 H new ATOM 0 HB THR A 69 -3.280 12.963 -22.117 1.00 50.42 H new ATOM 0 HG1 THR A 69 -4.356 12.547 -20.049 1.00 50.21 H new ATOM 0 HG21 THR A 69 -3.196 14.534 -20.232 1.00 75.41 H new ATOM 0 HG22 THR A 69 -3.228 15.375 -21.799 1.00 75.41 H new ATOM 0 HG23 THR A 69 -4.702 15.286 -20.807 1.00 75.41 H new ATOM 1037 N PRO A 70 -4.476 11.886 -24.557 1.00 34.12 N ATOM 1038 CA PRO A 70 -4.948 10.686 -25.248 1.00 45.44 C ATOM 1039 C PRO A 70 -5.133 9.469 -24.328 1.00 74.10 C ATOM 1040 O PRO A 70 -6.082 8.705 -24.500 1.00 71.14 O ATOM 1041 CB PRO A 70 -3.874 10.497 -26.332 1.00 24.51 C ATOM 1042 CG PRO A 70 -2.682 11.051 -25.786 1.00 71.05 C ATOM 1043 CD PRO A 70 -3.130 12.273 -25.017 1.00 1.31 C ATOM 0 HA PRO A 70 -5.953 10.792 -25.656 1.00 45.44 H new ATOM 0 HB2 PRO A 70 -3.742 9.442 -26.574 1.00 24.51 H new ATOM 0 HB3 PRO A 70 -4.155 11.003 -27.256 1.00 24.51 H new ATOM 0 HG2 PRO A 70 -2.179 10.337 -25.133 1.00 71.05 H new ATOM 0 HG3 PRO A 70 -1.975 11.317 -26.572 1.00 71.05 H new ATOM 0 HD2 PRO A 70 -2.464 12.494 -24.183 1.00 1.31 H new ATOM 0 HD3 PRO A 70 -3.157 13.162 -25.647 1.00 1.31 H new ATOM 1051 N ALA A 71 -4.311 9.333 -23.295 1.00 74.44 N ATOM 1052 CA ALA A 71 -4.511 8.260 -22.309 1.00 54.01 C ATOM 1053 C ALA A 71 -5.677 8.623 -21.384 1.00 61.30 C ATOM 1054 O ALA A 71 -6.370 7.761 -20.853 1.00 63.52 O ATOM 1055 CB ALA A 71 -3.240 8.020 -21.498 1.00 51.13 C ATOM 0 H ALA A 71 -3.510 9.938 -23.113 1.00 74.44 H new ATOM 0 HA ALA A 71 -4.747 7.337 -22.839 1.00 54.01 H new ATOM 0 HB1 ALA A 71 -3.414 7.222 -20.776 1.00 51.13 H new ATOM 0 HB2 ALA A 71 -2.430 7.733 -22.168 1.00 51.13 H new ATOM 0 HB3 ALA A 71 -2.967 8.934 -20.970 1.00 51.13 H new ATOM 1061 N GLY A 72 -5.885 9.912 -21.177 1.00 22.12 N ATOM 1062 CA GLY A 72 -6.979 10.357 -20.335 1.00 12.34 C ATOM 1063 C GLY A 72 -8.314 10.024 -20.960 1.00 41.21 C ATOM 1064 O GLY A 72 -9.213 9.546 -20.278 1.00 1.00 O ATOM 0 H GLY A 72 -5.318 10.660 -21.576 1.00 22.12 H new ATOM 0 HA2 GLY A 72 -6.904 9.885 -19.356 1.00 12.34 H new ATOM 0 HA3 GLY A 72 -6.906 11.433 -20.176 1.00 12.34 H new ATOM 1068 N VAL A 73 -8.424 10.216 -22.266 1.00 1.22 N ATOM 1069 CA VAL A 73 -9.635 9.867 -23.008 1.00 22.34 C ATOM 1070 C VAL A 73 -9.920 8.380 -22.871 1.00 60.43 C ATOM 1071 O VAL A 73 -11.060 7.993 -22.579 1.00 41.11 O ATOM 1072 CB VAL A 73 -9.492 10.245 -24.523 1.00 24.32 C ATOM 1073 CG1 VAL A 73 -10.669 9.744 -25.329 1.00 64.42 C ATOM 1074 CG2 VAL A 73 -9.418 11.758 -24.697 1.00 75.23 C ATOM 0 H VAL A 73 -7.683 10.616 -22.842 1.00 1.22 H new ATOM 0 HA VAL A 73 -10.467 10.433 -22.589 1.00 22.34 H new ATOM 0 HB VAL A 73 -8.575 9.776 -24.879 1.00 24.32 H new ATOM 0 HG11 VAL A 73 -10.539 10.023 -26.375 1.00 64.42 H new ATOM 0 HG12 VAL A 73 -10.730 8.659 -25.247 1.00 64.42 H new ATOM 0 HG13 VAL A 73 -11.588 10.189 -24.947 1.00 64.42 H new ATOM 0 HG21 VAL A 73 -9.319 11.998 -25.756 1.00 75.23 H new ATOM 0 HG22 VAL A 73 -10.327 12.214 -24.305 1.00 75.23 H new ATOM 0 HG23 VAL A 73 -8.555 12.145 -24.155 1.00 75.23 H new ATOM 1084 N ALA A 74 -8.868 7.572 -22.966 1.00 72.33 N ATOM 1085 CA ALA A 74 -8.960 6.118 -22.786 1.00 12.41 C ATOM 1086 C ALA A 74 -9.557 5.761 -21.385 1.00 43.22 C ATOM 1087 O ALA A 74 -10.408 4.909 -21.255 1.00 51.42 O ATOM 1088 CB ALA A 74 -7.598 5.463 -22.970 1.00 23.31 C ATOM 0 H ALA A 74 -7.925 7.903 -23.170 1.00 72.33 H new ATOM 0 HA ALA A 74 -9.634 5.729 -23.550 1.00 12.41 H new ATOM 0 HB1 ALA A 74 -7.691 4.386 -22.832 1.00 23.31 H new ATOM 0 HB2 ALA A 74 -7.228 5.670 -23.974 1.00 23.31 H new ATOM 0 HB3 ALA A 74 -6.899 5.864 -22.236 1.00 23.31 H new ATOM 1094 N ARG A 75 -9.143 6.482 -20.331 1.00 32.05 N ATOM 1095 CA ARG A 75 -9.685 6.239 -19.004 1.00 14.41 C ATOM 1096 C ARG A 75 -11.114 6.743 -18.913 1.00 30.04 C ATOM 1097 O ARG A 75 -11.942 6.136 -18.249 1.00 34.51 O ATOM 1098 CB ARG A 75 -8.862 6.919 -17.913 1.00 52.11 C ATOM 1099 CG ARG A 75 -7.433 6.388 -17.817 1.00 50.12 C ATOM 1100 CD ARG A 75 -6.748 6.841 -16.536 1.00 53.04 C ATOM 1101 NE ARG A 75 -6.641 8.306 -16.474 1.00 55.31 N ATOM 1102 CZ ARG A 75 -6.156 8.995 -15.446 1.00 60.41 C ATOM 1103 NH1 ARG A 75 -5.704 8.405 -14.358 1.00 31.51 N ATOM 1104 NH2 ARG A 75 -6.132 10.300 -15.510 1.00 54.13 N ATOM 0 H ARG A 75 -8.445 7.225 -20.379 1.00 32.05 H new ATOM 0 HA ARG A 75 -9.651 5.161 -18.846 1.00 14.41 H new ATOM 0 HB2 ARG A 75 -8.832 7.992 -18.105 1.00 52.11 H new ATOM 0 HB3 ARG A 75 -9.359 6.781 -16.953 1.00 52.11 H new ATOM 0 HG2 ARG A 75 -7.446 5.299 -17.857 1.00 50.12 H new ATOM 0 HG3 ARG A 75 -6.859 6.731 -18.678 1.00 50.12 H new ATOM 0 HD2 ARG A 75 -7.309 6.479 -15.674 1.00 53.04 H new ATOM 0 HD3 ARG A 75 -5.753 6.399 -16.478 1.00 53.04 H new ATOM 0 HE ARG A 75 -6.964 8.835 -17.284 1.00 55.31 H new ATOM 0 HH11 ARG A 75 -5.719 7.388 -14.286 1.00 31.51 H new ATOM 0 HH12 ARG A 75 -5.339 8.966 -13.588 1.00 31.51 H new ATOM 0 HH21 ARG A 75 -6.483 10.776 -16.341 1.00 54.13 H new ATOM 0 HH22 ARG A 75 -5.763 10.842 -14.729 1.00 54.13 H new ATOM 1118 N ALA A 76 -11.396 7.875 -19.538 1.00 52.15 N ATOM 1119 CA ALA A 76 -12.721 8.486 -19.448 1.00 10.21 C ATOM 1120 C ALA A 76 -13.794 7.629 -20.129 1.00 3.44 C ATOM 1121 O ALA A 76 -14.895 7.467 -19.598 1.00 54.30 O ATOM 1122 CB ALA A 76 -12.670 9.898 -20.049 1.00 74.12 C ATOM 0 H ALA A 76 -10.730 8.391 -20.113 1.00 52.15 H new ATOM 0 HA ALA A 76 -13.002 8.553 -18.397 1.00 10.21 H new ATOM 0 HB1 ALA A 76 -13.656 10.357 -19.984 1.00 74.12 H new ATOM 0 HB2 ALA A 76 -11.951 10.503 -19.496 1.00 74.12 H new ATOM 0 HB3 ALA A 76 -12.366 9.838 -21.094 1.00 74.12 H new ATOM 1128 N LEU A 77 -13.474 7.078 -21.286 1.00 64.33 N ATOM 1129 CA LEU A 77 -14.411 6.218 -22.000 1.00 11.13 C ATOM 1130 C LEU A 77 -14.529 4.876 -21.301 1.00 3.21 C ATOM 1131 O LEU A 77 -15.576 4.249 -21.339 1.00 60.52 O ATOM 1132 CB LEU A 77 -14.009 6.072 -23.489 1.00 10.31 C ATOM 1133 CG LEU A 77 -12.615 5.466 -23.758 1.00 25.54 C ATOM 1134 CD1 LEU A 77 -12.646 3.913 -23.882 1.00 11.32 C ATOM 1135 CD2 LEU A 77 -12.074 6.008 -25.038 1.00 0.22 C ATOM 0 H LEU A 77 -12.577 7.208 -21.753 1.00 64.33 H new ATOM 0 HA LEU A 77 -15.397 6.683 -21.987 1.00 11.13 H new ATOM 0 HB2 LEU A 77 -14.755 5.452 -23.987 1.00 10.31 H new ATOM 0 HB3 LEU A 77 -14.051 7.057 -23.954 1.00 10.31 H new ATOM 0 HG LEU A 77 -11.990 5.734 -22.906 1.00 25.54 H new ATOM 0 HD11 LEU A 77 -11.638 3.543 -24.071 1.00 11.32 H new ATOM 0 HD12 LEU A 77 -13.023 3.481 -22.955 1.00 11.32 H new ATOM 0 HD13 LEU A 77 -13.298 3.627 -24.707 1.00 11.32 H new ATOM 0 HD21 LEU A 77 -11.090 5.580 -25.227 1.00 0.22 H new ATOM 0 HD22 LEU A 77 -12.746 5.748 -25.856 1.00 0.22 H new ATOM 0 HD23 LEU A 77 -11.990 7.092 -24.967 1.00 0.22 H new