USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 508 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00265 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 78:sc= 0.161 USER MOD Single : A 19 TYR OH : rot 179:sc= 0.0748 USER MOD Single : A 35 HIS : no HD1:sc=-0.00936 X(o=-0.0094,f=-0.36) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -174:sc= 0 (180deg=-0.0468) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 82:sc= 0.57 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N ALA A 10 20.286 2.217 -7.920 1.00 31.12 N ATOM 118 CA ALA A 10 21.120 2.788 -8.968 1.00 13.51 C ATOM 119 C ALA A 10 21.408 1.842 -10.117 1.00 61.44 C ATOM 120 O ALA A 10 21.421 2.277 -11.268 1.00 52.14 O ATOM 121 CB ALA A 10 22.447 3.260 -8.382 1.00 62.05 C ATOM 0 HA ALA A 10 20.546 3.620 -9.375 1.00 13.51 H new ATOM 0 HB1 ALA A 10 23.064 3.685 -9.174 1.00 62.05 H new ATOM 0 HB2 ALA A 10 22.260 4.018 -7.621 1.00 62.05 H new ATOM 0 HB3 ALA A 10 22.967 2.415 -7.932 1.00 62.05 H new ATOM 127 N THR A 11 21.638 0.565 -9.861 1.00 62.11 N ATOM 128 CA THR A 11 21.885 -0.390 -10.958 1.00 10.02 C ATOM 129 C THR A 11 20.609 -0.748 -11.709 1.00 14.14 C ATOM 130 O THR A 11 20.641 -1.113 -12.872 1.00 14.13 O ATOM 131 CB THR A 11 22.489 -1.686 -10.417 1.00 22.00 C ATOM 132 OG1 THR A 11 23.383 -1.379 -9.347 1.00 25.30 O ATOM 133 CG2 THR A 11 23.234 -2.414 -11.478 1.00 31.32 C ATOM 0 H THR A 11 21.661 0.159 -8.925 1.00 62.11 H new ATOM 0 HA THR A 11 22.576 0.103 -11.642 1.00 10.02 H new ATOM 0 HB THR A 11 21.677 -2.322 -10.064 1.00 22.00 H new ATOM 0 HG1 THR A 11 23.771 -2.208 -8.997 1.00 25.30 H new ATOM 0 HG21 THR A 11 23.653 -3.332 -11.064 1.00 31.32 H new ATOM 0 HG22 THR A 11 22.556 -2.661 -12.295 1.00 31.32 H new ATOM 0 HG23 THR A 11 24.041 -1.784 -11.854 1.00 31.32 H new ATOM 141 N GLU A 12 19.459 -0.630 -11.059 1.00 33.31 N ATOM 142 CA GLU A 12 18.211 -1.042 -11.704 1.00 52.44 C ATOM 143 C GLU A 12 17.921 -0.175 -12.933 1.00 52.31 C ATOM 144 O GLU A 12 17.356 -0.638 -13.907 1.00 13.10 O ATOM 145 CB GLU A 12 17.039 -0.878 -10.741 1.00 1.33 C ATOM 146 CG GLU A 12 17.242 -1.623 -9.417 1.00 3.43 C ATOM 147 CD GLU A 12 17.005 -3.100 -9.492 1.00 22.31 C ATOM 148 OE1 GLU A 12 16.922 -3.652 -10.596 1.00 2.33 O ATOM 149 OE2 GLU A 12 16.939 -3.706 -8.393 1.00 24.51 O ATOM 0 H GLU A 12 19.359 -0.264 -10.112 1.00 33.31 H new ATOM 0 HA GLU A 12 18.326 -2.085 -11.998 1.00 52.44 H new ATOM 0 HB2 GLU A 12 16.890 0.182 -10.536 1.00 1.33 H new ATOM 0 HB3 GLU A 12 16.129 -1.241 -11.220 1.00 1.33 H new ATOM 0 HG2 GLU A 12 18.260 -1.449 -9.069 1.00 3.43 H new ATOM 0 HG3 GLU A 12 16.572 -1.198 -8.669 1.00 3.43 H new ATOM 156 N LYS A 13 18.351 1.082 -12.882 1.00 1.20 N ATOM 157 CA LYS A 13 18.096 2.016 -13.964 1.00 12.41 C ATOM 158 C LYS A 13 18.821 1.564 -15.246 1.00 51.30 C ATOM 159 O LYS A 13 18.392 1.891 -16.356 1.00 31.11 O ATOM 160 CB LYS A 13 18.491 3.433 -13.544 1.00 22.35 C ATOM 161 CG LYS A 13 19.999 3.751 -13.794 1.00 1.12 C ATOM 162 CD LYS A 13 20.442 5.000 -13.061 1.00 75.32 C ATOM 163 CE LYS A 13 19.871 6.265 -13.656 1.00 31.44 C ATOM 164 NZ LYS A 13 20.430 7.485 -13.011 1.00 51.14 N ATOM 0 H LYS A 13 18.877 1.474 -12.101 1.00 1.20 H new ATOM 0 HA LYS A 13 17.029 2.028 -14.185 1.00 12.41 H new ATOM 0 HB2 LYS A 13 17.880 4.151 -14.091 1.00 22.35 H new ATOM 0 HB3 LYS A 13 18.269 3.566 -12.485 1.00 22.35 H new ATOM 0 HG2 LYS A 13 20.607 2.906 -13.471 1.00 1.12 H new ATOM 0 HG3 LYS A 13 20.171 3.877 -14.863 1.00 1.12 H new ATOM 0 HD2 LYS A 13 20.141 4.928 -12.016 1.00 75.32 H new ATOM 0 HD3 LYS A 13 21.530 5.057 -13.076 1.00 75.32 H new ATOM 0 HE2 LYS A 13 20.082 6.291 -14.725 1.00 31.44 H new ATOM 0 HE3 LYS A 13 18.787 6.261 -13.545 1.00 31.44 H new ATOM 0 HZ1 LYS A 13 20.012 8.331 -13.448 1.00 51.14 H new ATOM 0 HZ2 LYS A 13 20.207 7.474 -11.995 1.00 51.14 H new ATOM 0 HZ3 LYS A 13 21.462 7.503 -13.138 1.00 51.14 H new ATOM 178 N VAL A 14 19.929 0.872 -15.106 1.00 62.41 N ATOM 179 CA VAL A 14 20.703 0.470 -16.265 1.00 72.21 C ATOM 180 C VAL A 14 20.060 -0.776 -16.845 1.00 54.23 C ATOM 181 O VAL A 14 20.059 -0.988 -18.043 1.00 64.50 O ATOM 182 CB VAL A 14 22.240 0.245 -15.915 1.00 65.41 C ATOM 183 CG1 VAL A 14 22.724 1.193 -14.803 1.00 71.22 C ATOM 184 CG2 VAL A 14 22.560 -1.175 -15.510 1.00 5.52 C ATOM 0 H VAL A 14 20.315 0.576 -14.209 1.00 62.41 H new ATOM 0 HA VAL A 14 20.694 1.269 -17.007 1.00 72.21 H new ATOM 0 HB VAL A 14 22.768 0.465 -16.843 1.00 65.41 H new ATOM 0 HG11 VAL A 14 23.778 1.004 -14.597 1.00 71.22 H new ATOM 0 HG12 VAL A 14 22.597 2.227 -15.125 1.00 71.22 H new ATOM 0 HG13 VAL A 14 22.141 1.020 -13.898 1.00 71.22 H new ATOM 0 HG21 VAL A 14 23.623 -1.258 -15.285 1.00 5.52 H new ATOM 0 HG22 VAL A 14 21.980 -1.441 -14.626 1.00 5.52 H new ATOM 0 HG23 VAL A 14 22.307 -1.852 -16.326 1.00 5.52 H new ATOM 194 N LEU A 15 19.503 -1.599 -15.966 1.00 43.51 N ATOM 195 CA LEU A 15 18.959 -2.885 -16.358 1.00 52.02 C ATOM 196 C LEU A 15 17.656 -2.644 -17.058 1.00 71.44 C ATOM 197 O LEU A 15 17.457 -3.154 -18.162 1.00 34.12 O ATOM 198 CB LEU A 15 18.759 -3.774 -15.143 1.00 32.41 C ATOM 199 CG LEU A 15 20.087 -4.110 -14.469 1.00 33.23 C ATOM 200 CD1 LEU A 15 19.774 -4.618 -13.079 1.00 11.24 C ATOM 201 CD2 LEU A 15 20.910 -5.127 -15.229 1.00 64.41 C ATOM 0 H LEU A 15 19.418 -1.393 -14.971 1.00 43.51 H new ATOM 0 HA LEU A 15 19.652 -3.397 -17.026 1.00 52.02 H new ATOM 0 HB2 LEU A 15 18.104 -3.274 -14.429 1.00 32.41 H new ATOM 0 HB3 LEU A 15 18.259 -4.695 -15.443 1.00 32.41 H new ATOM 0 HG LEU A 15 20.697 -3.207 -14.441 1.00 33.23 H new ATOM 0 HD11 LEU A 15 20.702 -4.869 -12.566 1.00 11.24 H new ATOM 0 HD12 LEU A 15 19.247 -3.845 -12.519 1.00 11.24 H new ATOM 0 HD13 LEU A 15 19.147 -5.507 -13.149 1.00 11.24 H new ATOM 0 HD21 LEU A 15 21.839 -5.317 -14.692 1.00 64.41 H new ATOM 0 HD22 LEU A 15 20.347 -6.056 -15.320 1.00 64.41 H new ATOM 0 HD23 LEU A 15 21.138 -4.741 -16.223 1.00 64.41 H new ATOM 213 N CYS A 16 16.796 -1.822 -16.471 1.00 63.01 N ATOM 214 CA CYS A 16 15.616 -1.445 -17.196 1.00 44.20 C ATOM 215 C CYS A 16 15.959 -0.862 -18.575 1.00 73.21 C ATOM 216 O CYS A 16 15.096 -0.932 -19.491 1.00 65.20 O ATOM 217 CB CYS A 16 14.807 -0.456 -16.327 1.00 21.52 C ATOM 218 SG CYS A 16 14.265 -1.232 -14.742 1.00 12.15 S ATOM 0 H CYS A 16 16.894 -1.425 -15.537 1.00 63.01 H new ATOM 0 HA CYS A 16 15.008 -2.327 -17.394 1.00 44.20 H new ATOM 0 HB2 CYS A 16 15.415 0.423 -16.113 1.00 21.52 H new ATOM 0 HB3 CYS A 16 13.934 -0.113 -16.882 1.00 21.52 H new ATOM 0 HG CYS A 16 15.263 -1.261 -13.910 1.00 12.15 H new ATOM 224 N ALA A 17 17.067 -0.162 -18.697 1.00 41.32 N ATOM 225 CA ALA A 17 17.342 0.497 -19.957 1.00 3.32 C ATOM 226 C ALA A 17 17.595 -0.469 -21.061 1.00 51.31 C ATOM 227 O ALA A 17 16.963 -0.493 -22.080 1.00 35.35 O ATOM 228 CB ALA A 17 18.528 1.479 -19.791 1.00 1.23 C ATOM 0 H ALA A 17 17.770 -0.036 -17.968 1.00 41.32 H new ATOM 0 HA ALA A 17 16.451 1.058 -20.238 1.00 3.32 H new ATOM 0 HB1 ALA A 17 18.729 1.971 -20.743 1.00 1.23 H new ATOM 0 HB2 ALA A 17 18.277 2.229 -19.041 1.00 1.23 H new ATOM 0 HB3 ALA A 17 19.414 0.929 -19.473 1.00 1.23 H new ATOM 234 N LEU A 18 18.469 -1.349 -20.730 1.00 65.23 N ATOM 235 CA LEU A 18 18.865 -2.435 -21.558 1.00 53.52 C ATOM 236 C LEU A 18 17.710 -3.388 -21.907 1.00 70.44 C ATOM 237 O LEU A 18 17.553 -3.824 -23.034 1.00 52.01 O ATOM 238 CB LEU A 18 20.015 -3.198 -20.852 1.00 52.14 C ATOM 239 CG LEU A 18 21.448 -2.965 -21.326 1.00 5.14 C ATOM 240 CD1 LEU A 18 21.703 -2.586 -22.808 1.00 74.40 C ATOM 241 CD2 LEU A 18 22.037 -1.906 -20.455 1.00 35.22 C ATOM 0 H LEU A 18 18.952 -1.333 -19.832 1.00 65.23 H new ATOM 0 HA LEU A 18 19.203 -2.026 -22.510 1.00 53.52 H new ATOM 0 HB2 LEU A 18 19.973 -2.951 -19.791 1.00 52.14 H new ATOM 0 HB3 LEU A 18 19.807 -4.264 -20.939 1.00 52.14 H new ATOM 0 HG LEU A 18 21.913 -3.948 -21.250 1.00 5.14 H new ATOM 0 HD11 LEU A 18 22.773 -2.458 -22.972 1.00 74.40 H new ATOM 0 HD12 LEU A 18 21.329 -3.379 -23.456 1.00 74.40 H new ATOM 0 HD13 LEU A 18 21.186 -1.654 -23.039 1.00 74.40 H new ATOM 0 HD21 LEU A 18 23.064 -1.711 -20.763 1.00 35.22 H new ATOM 0 HD22 LEU A 18 21.451 -0.992 -20.547 1.00 35.22 H new ATOM 0 HD23 LEU A 18 22.027 -2.241 -19.418 1.00 35.22 H new ATOM 253 N TYR A 19 16.882 -3.677 -20.913 1.00 63.22 N ATOM 254 CA TYR A 19 15.707 -4.530 -21.121 1.00 1.04 C ATOM 255 C TYR A 19 14.805 -3.853 -22.162 1.00 52.33 C ATOM 256 O TYR A 19 14.359 -4.479 -23.131 1.00 35.44 O ATOM 257 CB TYR A 19 14.893 -4.714 -19.826 1.00 71.22 C ATOM 258 CG TYR A 19 15.258 -5.957 -18.994 1.00 12.25 C ATOM 259 CD1 TYR A 19 16.580 -6.184 -18.555 1.00 71.11 C ATOM 260 CD2 TYR A 19 14.267 -6.897 -18.633 1.00 52.04 C ATOM 261 CE1 TYR A 19 16.893 -7.298 -17.750 1.00 24.14 C ATOM 262 CE2 TYR A 19 14.582 -8.015 -17.840 1.00 60.12 C ATOM 263 CZ TYR A 19 15.898 -8.202 -17.405 1.00 31.01 C ATOM 264 OH TYR A 19 16.199 -9.273 -16.618 1.00 51.23 O ATOM 0 H TYR A 19 16.996 -3.338 -19.958 1.00 63.22 H new ATOM 0 HA TYR A 19 16.049 -5.511 -21.451 1.00 1.04 H new ATOM 0 HB2 TYR A 19 15.025 -3.829 -19.204 1.00 71.22 H new ATOM 0 HB3 TYR A 19 13.836 -4.767 -20.085 1.00 71.22 H new ATOM 0 HD1 TYR A 19 17.362 -5.495 -18.839 1.00 71.11 H new ATOM 0 HD2 TYR A 19 13.251 -6.755 -18.971 1.00 52.04 H new ATOM 0 HE1 TYR A 19 17.905 -7.448 -17.403 1.00 24.14 H new ATOM 0 HE2 TYR A 19 13.813 -8.724 -17.569 1.00 60.12 H new ATOM 0 HH TYR A 19 15.388 -9.798 -16.456 1.00 51.23 H new ATOM 274 N ALA A 20 14.514 -2.572 -21.958 1.00 14.21 N ATOM 275 CA ALA A 20 13.594 -1.858 -22.836 1.00 70.01 C ATOM 276 C ALA A 20 14.148 -1.641 -24.255 1.00 75.43 C ATOM 277 O ALA A 20 13.413 -1.804 -25.226 1.00 31.42 O ATOM 278 CB ALA A 20 13.235 -0.498 -22.188 1.00 53.31 C ATOM 0 H ALA A 20 14.899 -2.011 -21.198 1.00 14.21 H new ATOM 0 HA ALA A 20 12.705 -2.478 -22.951 1.00 70.01 H new ATOM 0 HB1 ALA A 20 12.547 0.044 -22.837 1.00 53.31 H new ATOM 0 HB2 ALA A 20 12.762 -0.669 -21.221 1.00 53.31 H new ATOM 0 HB3 ALA A 20 14.142 0.090 -22.049 1.00 53.31 H new ATOM 284 N GLU A 21 15.430 -1.298 -24.367 1.00 33.52 N ATOM 285 CA GLU A 21 16.014 -1.033 -25.668 1.00 53.11 C ATOM 286 C GLU A 21 16.038 -2.266 -26.548 1.00 43.51 C ATOM 287 O GLU A 21 15.863 -2.179 -27.760 1.00 51.21 O ATOM 288 CB GLU A 21 17.451 -0.503 -25.536 1.00 22.14 C ATOM 289 CG GLU A 21 17.535 0.951 -25.080 1.00 72.31 C ATOM 290 CD GLU A 21 18.983 1.393 -24.861 1.00 74.52 C ATOM 291 OE1 GLU A 21 19.883 0.788 -25.481 1.00 64.20 O ATOM 292 OE2 GLU A 21 19.201 2.338 -24.066 1.00 10.31 O ATOM 0 H GLU A 21 16.072 -1.200 -23.580 1.00 33.52 H new ATOM 0 HA GLU A 21 15.380 -0.279 -26.133 1.00 53.11 H new ATOM 0 HB2 GLU A 21 17.994 -1.128 -24.827 1.00 22.14 H new ATOM 0 HB3 GLU A 21 17.954 -0.601 -26.498 1.00 22.14 H new ATOM 0 HG2 GLU A 21 17.067 1.594 -25.826 1.00 72.31 H new ATOM 0 HG3 GLU A 21 16.973 1.075 -24.154 1.00 72.31 H new ATOM 299 N ILE A 22 16.267 -3.420 -25.943 1.00 52.54 N ATOM 300 CA ILE A 22 16.357 -4.672 -26.687 1.00 40.30 C ATOM 301 C ILE A 22 14.947 -5.144 -27.098 1.00 64.23 C ATOM 302 O ILE A 22 14.766 -5.672 -28.198 1.00 0.43 O ATOM 303 CB ILE A 22 17.087 -5.760 -25.830 1.00 60.13 C ATOM 304 CG1 ILE A 22 18.566 -5.350 -25.626 1.00 42.40 C ATOM 305 CG2 ILE A 22 17.006 -7.147 -26.513 1.00 1.32 C ATOM 306 CD1 ILE A 22 19.311 -6.153 -24.587 1.00 25.40 C ATOM 0 H ILE A 22 16.395 -3.519 -24.936 1.00 52.54 H new ATOM 0 HA ILE A 22 16.941 -4.508 -27.593 1.00 40.30 H new ATOM 0 HB ILE A 22 16.593 -5.832 -24.861 1.00 60.13 H new ATOM 0 HG12 ILE A 22 19.088 -5.442 -26.578 1.00 42.40 H new ATOM 0 HG13 ILE A 22 18.601 -4.298 -25.344 1.00 42.40 H new ATOM 0 HG21 ILE A 22 17.520 -7.886 -25.898 1.00 1.32 H new ATOM 0 HG22 ILE A 22 15.961 -7.435 -26.629 1.00 1.32 H new ATOM 0 HG23 ILE A 22 17.479 -7.098 -27.494 1.00 1.32 H new ATOM 0 HD11 ILE A 22 20.337 -5.793 -24.516 1.00 25.40 H new ATOM 0 HD12 ILE A 22 18.820 -6.042 -23.620 1.00 25.40 H new ATOM 0 HD13 ILE A 22 19.315 -7.205 -24.874 1.00 25.40 H new ATOM 318 N LEU A 23 13.992 -5.043 -26.170 1.00 15.01 N ATOM 319 CA LEU A 23 12.660 -5.566 -26.409 1.00 55.24 C ATOM 320 C LEU A 23 11.706 -4.594 -27.109 1.00 52.15 C ATOM 321 O LEU A 23 10.669 -5.021 -27.631 1.00 31.14 O ATOM 322 CB LEU A 23 12.057 -6.040 -25.095 1.00 10.24 C ATOM 323 CG LEU A 23 12.663 -7.392 -24.699 1.00 4.03 C ATOM 324 CD1 LEU A 23 12.900 -7.515 -23.230 1.00 65.01 C ATOM 325 CD2 LEU A 23 11.751 -8.514 -25.184 1.00 2.34 C ATOM 0 H LEU A 23 14.122 -4.607 -25.257 1.00 15.01 H new ATOM 0 HA LEU A 23 12.783 -6.397 -27.103 1.00 55.24 H new ATOM 0 HB2 LEU A 23 12.245 -5.305 -24.313 1.00 10.24 H new ATOM 0 HB3 LEU A 23 10.975 -6.132 -25.193 1.00 10.24 H new ATOM 0 HG LEU A 23 13.640 -7.466 -25.176 1.00 4.03 H new ATOM 0 HD11 LEU A 23 13.330 -8.493 -23.011 1.00 65.01 H new ATOM 0 HD12 LEU A 23 13.589 -6.735 -22.906 1.00 65.01 H new ATOM 0 HD13 LEU A 23 11.954 -7.407 -22.699 1.00 65.01 H new ATOM 0 HD21 LEU A 23 12.178 -9.477 -24.904 1.00 2.34 H new ATOM 0 HD22 LEU A 23 10.768 -8.407 -24.726 1.00 2.34 H new ATOM 0 HD23 LEU A 23 11.654 -8.461 -26.268 1.00 2.34 H new ATOM 337 N GLY A 24 12.093 -3.326 -27.175 1.00 5.14 N ATOM 338 CA GLY A 24 11.323 -2.346 -27.917 1.00 33.11 C ATOM 339 C GLY A 24 10.038 -1.917 -27.215 1.00 72.44 C ATOM 340 O GLY A 24 9.036 -1.599 -27.864 1.00 22.54 O ATOM 0 H GLY A 24 12.931 -2.957 -26.725 1.00 5.14 H new ATOM 0 HA2 GLY A 24 11.943 -1.466 -28.091 1.00 33.11 H new ATOM 0 HA3 GLY A 24 11.072 -2.758 -28.895 1.00 33.11 H new ATOM 344 N VAL A 25 10.038 -1.968 -25.895 1.00 54.31 N ATOM 345 CA VAL A 25 8.814 -1.696 -25.140 1.00 54.34 C ATOM 346 C VAL A 25 8.762 -0.195 -24.766 1.00 25.24 C ATOM 347 O VAL A 25 9.787 0.464 -24.644 1.00 42.52 O ATOM 348 CB VAL A 25 8.697 -2.592 -23.879 1.00 73.42 C ATOM 349 CG1 VAL A 25 8.787 -4.036 -24.284 1.00 32.03 C ATOM 350 CG2 VAL A 25 9.769 -2.284 -22.833 1.00 42.42 C ATOM 0 H VAL A 25 10.854 -2.191 -25.325 1.00 54.31 H new ATOM 0 HA VAL A 25 7.960 -1.938 -25.773 1.00 54.34 H new ATOM 0 HB VAL A 25 7.731 -2.382 -23.419 1.00 73.42 H new ATOM 0 HG11 VAL A 25 8.705 -4.668 -23.400 1.00 32.03 H new ATOM 0 HG12 VAL A 25 7.977 -4.271 -24.974 1.00 32.03 H new ATOM 0 HG13 VAL A 25 9.744 -4.218 -24.772 1.00 32.03 H new ATOM 0 HG21 VAL A 25 9.638 -2.941 -21.973 1.00 42.42 H new ATOM 0 HG22 VAL A 25 10.756 -2.445 -23.266 1.00 42.42 H new ATOM 0 HG23 VAL A 25 9.678 -1.246 -22.513 1.00 42.42 H new ATOM 360 N GLU A 26 7.561 0.317 -24.565 1.00 41.22 N ATOM 361 CA GLU A 26 7.375 1.732 -24.206 1.00 51.01 C ATOM 362 C GLU A 26 7.920 2.001 -22.817 1.00 52.22 C ATOM 363 O GLU A 26 8.392 3.103 -22.503 1.00 30.11 O ATOM 364 CB GLU A 26 5.874 2.094 -24.201 1.00 42.43 C ATOM 365 CG GLU A 26 5.186 2.045 -25.591 1.00 35.11 C ATOM 366 CD GLU A 26 3.694 2.368 -25.506 1.00 1.14 C ATOM 367 OE1 GLU A 26 2.955 1.611 -24.850 1.00 42.14 O ATOM 368 OE2 GLU A 26 3.267 3.415 -26.076 1.00 35.42 O ATOM 0 H GLU A 26 6.695 -0.216 -24.641 1.00 41.22 H new ATOM 0 HA GLU A 26 7.906 2.333 -24.944 1.00 51.01 H new ATOM 0 HB2 GLU A 26 5.353 1.412 -23.529 1.00 42.43 H new ATOM 0 HB3 GLU A 26 5.758 3.097 -23.790 1.00 42.43 H new ATOM 0 HG2 GLU A 26 5.672 2.754 -26.261 1.00 35.11 H new ATOM 0 HG3 GLU A 26 5.318 1.054 -26.026 1.00 35.11 H new ATOM 375 N ARG A 27 7.807 0.997 -21.953 1.00 30.22 N ATOM 376 CA ARG A 27 8.227 1.118 -20.584 1.00 70.32 C ATOM 377 C ARG A 27 8.452 -0.284 -20.054 1.00 61.51 C ATOM 378 O ARG A 27 7.750 -1.191 -20.444 1.00 1.12 O ATOM 379 CB ARG A 27 7.147 1.815 -19.757 1.00 72.41 C ATOM 380 CG ARG A 27 7.565 2.110 -18.323 1.00 40.41 C ATOM 381 CD ARG A 27 6.461 2.797 -17.545 1.00 52.32 C ATOM 382 NE ARG A 27 6.805 2.964 -16.116 1.00 13.22 N ATOM 383 CZ ARG A 27 6.021 3.512 -15.202 1.00 71.25 C ATOM 384 NH1 ARG A 27 4.827 3.958 -15.489 1.00 73.23 N ATOM 385 NH2 ARG A 27 6.445 3.614 -13.983 1.00 22.43 N ATOM 0 H ARG A 27 7.421 0.084 -22.193 1.00 30.22 H new ATOM 0 HA ARG A 27 9.139 1.711 -20.518 1.00 70.32 H new ATOM 0 HB2 ARG A 27 6.875 2.751 -20.246 1.00 72.41 H new ATOM 0 HB3 ARG A 27 6.253 1.191 -19.744 1.00 72.41 H new ATOM 0 HG2 ARG A 27 7.836 1.179 -17.825 1.00 40.41 H new ATOM 0 HG3 ARG A 27 8.454 2.740 -18.326 1.00 40.41 H new ATOM 0 HD2 ARG A 27 6.262 3.774 -17.986 1.00 52.32 H new ATOM 0 HD3 ARG A 27 5.543 2.216 -17.630 1.00 52.32 H new ATOM 0 HE ARG A 27 7.719 2.630 -15.811 1.00 13.22 H new ATOM 0 HH11 ARG A 27 4.473 3.889 -16.443 1.00 73.23 H new ATOM 0 HH12 ARG A 27 4.249 4.375 -14.759 1.00 73.23 H new ATOM 0 HH21 ARG A 27 7.374 3.274 -13.736 1.00 22.43 H new ATOM 0 HH22 ARG A 27 5.850 4.035 -13.269 1.00 22.43 H new ATOM 399 N VAL A 28 9.365 -0.430 -19.105 1.00 64.41 N ATOM 400 CA VAL A 28 9.585 -1.693 -18.408 1.00 44.32 C ATOM 401 C VAL A 28 9.748 -1.325 -16.925 1.00 11.31 C ATOM 402 O VAL A 28 10.249 -0.255 -16.590 1.00 21.23 O ATOM 403 CB VAL A 28 10.849 -2.460 -18.985 1.00 14.30 C ATOM 404 CG1 VAL A 28 12.144 -1.726 -18.668 1.00 23.04 C ATOM 405 CG2 VAL A 28 10.910 -3.868 -18.475 1.00 74.43 C ATOM 0 H VAL A 28 9.977 0.325 -18.794 1.00 64.41 H new ATOM 0 HA VAL A 28 8.752 -2.382 -18.545 1.00 44.32 H new ATOM 0 HB VAL A 28 10.736 -2.491 -20.069 1.00 14.30 H new ATOM 0 HG11 VAL A 28 12.987 -2.281 -19.079 1.00 23.04 H new ATOM 0 HG12 VAL A 28 12.115 -0.730 -19.110 1.00 23.04 H new ATOM 0 HG13 VAL A 28 12.258 -1.640 -17.587 1.00 23.04 H new ATOM 0 HG21 VAL A 28 11.787 -4.367 -18.888 1.00 74.43 H new ATOM 0 HG22 VAL A 28 10.977 -3.858 -17.387 1.00 74.43 H new ATOM 0 HG23 VAL A 28 10.011 -4.404 -18.778 1.00 74.43 H new ATOM 415 N GLY A 29 9.282 -2.193 -16.058 1.00 22.14 N ATOM 416 CA GLY A 29 9.437 -2.035 -14.616 1.00 22.15 C ATOM 417 C GLY A 29 10.469 -2.981 -14.041 1.00 33.40 C ATOM 418 O GLY A 29 10.985 -3.856 -14.733 1.00 72.24 O ATOM 0 H GLY A 29 8.779 -3.039 -16.328 1.00 22.14 H new ATOM 0 HA2 GLY A 29 9.726 -1.008 -14.395 1.00 22.15 H new ATOM 0 HA3 GLY A 29 8.477 -2.208 -14.129 1.00 22.15 H new ATOM 422 N VAL A 30 10.765 -2.823 -12.755 1.00 23.02 N ATOM 423 CA VAL A 30 11.717 -3.693 -12.056 1.00 34.12 C ATOM 424 C VAL A 30 11.127 -5.081 -11.779 1.00 14.24 C ATOM 425 O VAL A 30 11.811 -6.022 -11.411 1.00 54.33 O ATOM 426 CB VAL A 30 12.129 -3.089 -10.697 1.00 20.33 C ATOM 427 CG1 VAL A 30 13.563 -2.530 -10.731 1.00 3.35 C ATOM 428 CG2 VAL A 30 11.177 -1.957 -10.251 1.00 21.23 C ATOM 0 H VAL A 30 10.358 -2.095 -12.168 1.00 23.02 H new ATOM 0 HA VAL A 30 12.581 -3.782 -12.715 1.00 34.12 H new ATOM 0 HB VAL A 30 12.073 -3.910 -9.982 1.00 20.33 H new ATOM 0 HG11 VAL A 30 13.815 -2.114 -9.755 1.00 3.35 H new ATOM 0 HG12 VAL A 30 14.260 -3.332 -10.974 1.00 3.35 H new ATOM 0 HG13 VAL A 30 13.631 -1.748 -11.487 1.00 3.35 H new ATOM 0 HG21 VAL A 30 11.506 -1.562 -9.290 1.00 21.23 H new ATOM 0 HG22 VAL A 30 11.187 -1.159 -10.994 1.00 21.23 H new ATOM 0 HG23 VAL A 30 10.165 -2.350 -10.154 1.00 21.23 H new ATOM 438 N ASP A 31 9.812 -5.193 -11.967 1.00 12.23 N ATOM 439 CA ASP A 31 9.052 -6.405 -11.707 1.00 1.41 C ATOM 440 C ASP A 31 8.769 -7.155 -12.986 1.00 65.35 C ATOM 441 O ASP A 31 8.386 -8.319 -12.957 1.00 64.13 O ATOM 442 CB ASP A 31 7.725 -6.057 -10.990 1.00 4.10 C ATOM 443 CG ASP A 31 6.861 -5.032 -11.765 1.00 11.11 C ATOM 444 OD1 ASP A 31 7.389 -3.997 -12.268 1.00 2.42 O ATOM 445 OD2 ASP A 31 5.624 -5.177 -11.717 1.00 62.54 O ATOM 0 H ASP A 31 9.238 -4.424 -12.312 1.00 12.23 H new ATOM 0 HA ASP A 31 9.650 -7.048 -11.062 1.00 1.41 H new ATOM 0 HB2 ASP A 31 7.149 -6.971 -10.844 1.00 4.10 H new ATOM 0 HB3 ASP A 31 7.948 -5.659 -10.000 1.00 4.10 H new ATOM 450 N ASP A 32 8.997 -6.517 -14.116 1.00 15.21 N ATOM 451 CA ASP A 32 8.730 -7.122 -15.423 1.00 65.51 C ATOM 452 C ASP A 32 9.754 -8.186 -15.744 1.00 32.31 C ATOM 453 O ASP A 32 10.954 -7.932 -15.737 1.00 33.54 O ATOM 454 CB ASP A 32 8.779 -6.098 -16.555 1.00 32.11 C ATOM 455 CG ASP A 32 7.509 -5.288 -16.651 1.00 44.21 C ATOM 456 OD1 ASP A 32 6.429 -5.804 -16.299 1.00 51.40 O ATOM 457 OD2 ASP A 32 7.592 -4.159 -17.150 1.00 73.22 O ATOM 0 H ASP A 32 9.371 -5.569 -14.164 1.00 15.21 H new ATOM 0 HA ASP A 32 7.729 -7.548 -15.354 1.00 65.51 H new ATOM 0 HB2 ASP A 32 9.624 -5.427 -16.399 1.00 32.11 H new ATOM 0 HB3 ASP A 32 8.951 -6.613 -17.500 1.00 32.11 H new ATOM 462 N ALA A 33 9.275 -9.389 -15.983 1.00 30.50 N ATOM 463 CA ALA A 33 10.146 -10.509 -16.302 1.00 11.33 C ATOM 464 C ALA A 33 10.397 -10.547 -17.819 1.00 73.42 C ATOM 465 O ALA A 33 9.502 -10.258 -18.603 1.00 60.34 O ATOM 466 CB ALA A 33 9.507 -11.809 -15.812 1.00 41.22 C ATOM 0 H ALA A 33 8.282 -9.620 -15.963 1.00 30.50 H new ATOM 0 HA ALA A 33 11.106 -10.391 -15.800 1.00 11.33 H new ATOM 0 HB1 ALA A 33 10.160 -12.648 -16.051 1.00 41.22 H new ATOM 0 HB2 ALA A 33 9.361 -11.759 -14.733 1.00 41.22 H new ATOM 0 HB3 ALA A 33 8.543 -11.948 -16.302 1.00 41.22 H new ATOM 472 N PHE A 34 11.576 -11.006 -18.221 1.00 35.03 N ATOM 473 CA PHE A 34 11.927 -11.168 -19.639 1.00 32.31 C ATOM 474 C PHE A 34 10.899 -12.050 -20.374 1.00 71.33 C ATOM 475 O PHE A 34 10.704 -11.914 -21.588 1.00 13.30 O ATOM 476 CB PHE A 34 13.328 -11.788 -19.743 1.00 0.24 C ATOM 477 CG PHE A 34 14.140 -11.301 -20.929 1.00 42.25 C ATOM 478 CD1 PHE A 34 14.851 -10.094 -20.826 1.00 73.44 C ATOM 479 CD2 PHE A 34 14.199 -12.048 -22.119 1.00 34.24 C ATOM 480 CE1 PHE A 34 15.630 -9.611 -21.914 1.00 62.22 C ATOM 481 CE2 PHE A 34 14.977 -11.586 -23.222 1.00 11.32 C ATOM 482 CZ PHE A 34 15.687 -10.368 -23.101 1.00 63.04 C ATOM 0 H PHE A 34 12.320 -11.278 -17.579 1.00 35.03 H new ATOM 0 HA PHE A 34 11.920 -10.187 -20.115 1.00 32.31 H new ATOM 0 HB2 PHE A 34 13.878 -11.570 -18.827 1.00 0.24 H new ATOM 0 HB3 PHE A 34 13.229 -12.872 -19.806 1.00 0.24 H new ATOM 0 HD1 PHE A 34 14.806 -9.525 -19.909 1.00 73.44 H new ATOM 0 HD2 PHE A 34 13.653 -12.976 -22.198 1.00 34.24 H new ATOM 0 HE1 PHE A 34 16.169 -8.679 -21.831 1.00 62.22 H new ATOM 0 HE2 PHE A 34 15.023 -12.158 -24.137 1.00 11.32 H new ATOM 0 HZ PHE A 34 16.281 -10.014 -23.930 1.00 63.04 H new ATOM 492 N HIS A 35 10.230 -12.937 -19.640 1.00 25.32 N ATOM 493 CA HIS A 35 9.169 -13.788 -20.202 1.00 12.21 C ATOM 494 C HIS A 35 7.857 -13.038 -20.431 1.00 0.31 C ATOM 495 O HIS A 35 7.117 -13.378 -21.335 1.00 40.10 O ATOM 496 CB HIS A 35 8.914 -14.995 -19.283 1.00 11.14 C ATOM 497 CG HIS A 35 7.977 -16.003 -19.875 1.00 63.14 C ATOM 498 ND1 HIS A 35 6.576 -15.910 -19.776 1.00 1.42 N ATOM 499 CD2 HIS A 35 8.199 -17.135 -20.597 1.00 21.02 C ATOM 500 CE1 HIS A 35 6.044 -16.921 -20.441 1.00 13.22 C ATOM 501 NE2 HIS A 35 6.997 -17.666 -20.934 1.00 10.33 N ATOM 0 H HIS A 35 10.402 -13.090 -18.646 1.00 25.32 H new ATOM 0 HA HIS A 35 9.525 -14.122 -21.177 1.00 12.21 H new ATOM 0 HB2 HIS A 35 9.864 -15.480 -19.060 1.00 11.14 H new ATOM 0 HB3 HIS A 35 8.506 -14.642 -18.336 1.00 11.14 H new ATOM 0 HD2 HIS A 35 9.166 -17.541 -20.857 1.00 21.02 H new ATOM 0 HE1 HIS A 35 4.986 -17.103 -20.558 1.00 13.22 H new ATOM 0 HE2 HIS A 35 6.859 -18.513 -21.485 1.00 10.33 H new ATOM 509 N ASP A 36 7.546 -12.061 -19.588 1.00 34.10 N ATOM 510 CA ASP A 36 6.285 -11.329 -19.727 1.00 32.31 C ATOM 511 C ASP A 36 6.413 -10.380 -20.905 1.00 24.04 C ATOM 512 O ASP A 36 5.496 -10.220 -21.708 1.00 12.41 O ATOM 513 CB ASP A 36 6.007 -10.553 -18.433 1.00 52.02 C ATOM 514 CG ASP A 36 4.552 -10.166 -18.301 1.00 62.05 C ATOM 515 OD1 ASP A 36 3.691 -10.723 -19.025 1.00 54.43 O ATOM 516 OD2 ASP A 36 4.256 -9.395 -17.371 1.00 21.53 O ATOM 0 H ASP A 36 8.135 -11.758 -18.813 1.00 34.10 H new ATOM 0 HA ASP A 36 5.456 -12.014 -19.903 1.00 32.31 H new ATOM 0 HB2 ASP A 36 6.299 -11.161 -17.577 1.00 52.02 H new ATOM 0 HB3 ASP A 36 6.624 -9.655 -18.410 1.00 52.02 H new ATOM 521 N LEU A 37 7.611 -9.831 -21.059 1.00 20.42 N ATOM 522 CA LEU A 37 7.940 -8.932 -22.156 1.00 12.13 C ATOM 523 C LEU A 37 8.090 -9.668 -23.502 1.00 73.32 C ATOM 524 O LEU A 37 8.390 -9.071 -24.519 1.00 75.04 O ATOM 525 CB LEU A 37 9.236 -8.218 -21.817 1.00 44.03 C ATOM 526 CG LEU A 37 9.285 -7.405 -20.479 1.00 44.22 C ATOM 527 CD1 LEU A 37 10.744 -7.024 -20.189 1.00 13.05 C ATOM 528 CD2 LEU A 37 8.395 -6.156 -20.568 1.00 30.04 C ATOM 0 H LEU A 37 8.388 -9.999 -20.420 1.00 20.42 H new ATOM 0 HA LEU A 37 7.119 -8.225 -22.273 1.00 12.13 H new ATOM 0 HB2 LEU A 37 10.032 -8.962 -21.788 1.00 44.03 H new ATOM 0 HB3 LEU A 37 9.468 -7.535 -22.634 1.00 44.03 H new ATOM 0 HG LEU A 37 8.902 -8.017 -19.663 1.00 44.22 H new ATOM 0 HD11 LEU A 37 10.794 -6.457 -19.259 1.00 13.05 H new ATOM 0 HD12 LEU A 37 11.345 -7.929 -20.095 1.00 13.05 H new ATOM 0 HD13 LEU A 37 11.131 -6.415 -21.007 1.00 13.05 H new ATOM 0 HD21 LEU A 37 8.444 -5.606 -19.628 1.00 30.04 H new ATOM 0 HD22 LEU A 37 8.744 -5.518 -21.380 1.00 30.04 H new ATOM 0 HD23 LEU A 37 7.365 -6.456 -20.759 1.00 30.04 H new ATOM 540 N GLY A 38 7.830 -10.974 -23.509 1.00 14.24 N ATOM 541 CA GLY A 38 7.855 -11.751 -24.744 1.00 11.34 C ATOM 542 C GLY A 38 9.248 -12.107 -25.289 1.00 13.44 C ATOM 543 O GLY A 38 9.399 -12.462 -26.454 1.00 31.44 O ATOM 0 H GLY A 38 7.600 -11.514 -22.675 1.00 14.24 H new ATOM 0 HA2 GLY A 38 7.304 -12.677 -24.578 1.00 11.34 H new ATOM 0 HA3 GLY A 38 7.318 -11.193 -25.511 1.00 11.34 H new ATOM 547 N GLY A 39 10.255 -12.030 -24.440 1.00 25.03 N ATOM 548 CA GLY A 39 11.621 -12.324 -24.837 1.00 24.23 C ATOM 549 C GLY A 39 11.902 -13.793 -25.105 1.00 43.23 C ATOM 550 O GLY A 39 11.232 -14.697 -24.608 1.00 61.02 O ATOM 0 H GLY A 39 10.152 -11.764 -23.461 1.00 25.03 H new ATOM 0 HA2 GLY A 39 11.854 -11.754 -25.736 1.00 24.23 H new ATOM 0 HA3 GLY A 39 12.295 -11.976 -24.055 1.00 24.23 H new ATOM 554 N SER A 40 12.956 -14.020 -25.879 1.00 62.45 N ATOM 555 CA SER A 40 13.372 -15.382 -26.266 1.00 21.24 C ATOM 556 C SER A 40 14.816 -15.613 -25.814 1.00 61.01 C ATOM 557 O SER A 40 15.530 -14.666 -25.494 1.00 23.24 O ATOM 558 CB SER A 40 13.308 -15.482 -27.806 1.00 72.12 C ATOM 559 OG SER A 40 11.956 -15.389 -28.258 1.00 63.30 O ATOM 0 H SER A 40 13.548 -13.281 -26.258 1.00 62.45 H new ATOM 0 HA SER A 40 12.721 -16.125 -25.805 1.00 21.24 H new ATOM 0 HB2 SER A 40 13.903 -14.685 -28.253 1.00 72.12 H new ATOM 0 HB3 SER A 40 13.743 -16.426 -28.133 1.00 72.12 H new ATOM 0 HG SER A 40 11.933 -15.452 -29.236 1.00 63.30 H new ATOM 565 N SER A 41 15.277 -16.862 -25.841 1.00 44.14 N ATOM 566 CA SER A 41 16.634 -17.182 -25.401 1.00 23.42 C ATOM 567 C SER A 41 17.695 -16.410 -26.183 1.00 53.51 C ATOM 568 O SER A 41 18.676 -15.959 -25.611 1.00 12.11 O ATOM 569 CB SER A 41 16.902 -18.678 -25.539 1.00 34.33 C ATOM 570 OG SER A 41 15.848 -19.416 -24.919 1.00 73.30 O ATOM 0 H SER A 41 14.735 -17.665 -26.161 1.00 44.14 H new ATOM 0 HA SER A 41 16.701 -16.885 -24.354 1.00 23.42 H new ATOM 0 HB2 SER A 41 16.977 -18.948 -26.592 1.00 34.33 H new ATOM 0 HB3 SER A 41 17.856 -18.930 -25.077 1.00 34.33 H new ATOM 0 HG SER A 41 16.023 -20.376 -25.011 1.00 73.30 H new ATOM 576 N ALA A 42 17.487 -16.201 -27.472 1.00 44.03 N ATOM 577 CA ALA A 42 18.439 -15.420 -28.263 1.00 43.32 C ATOM 578 C ALA A 42 18.578 -13.958 -27.749 1.00 43.14 C ATOM 579 O ALA A 42 19.677 -13.424 -27.659 1.00 62.21 O ATOM 580 CB ALA A 42 17.997 -15.422 -29.737 1.00 51.43 C ATOM 0 H ALA A 42 16.683 -16.552 -27.992 1.00 44.03 H new ATOM 0 HA ALA A 42 19.419 -15.887 -28.162 1.00 43.32 H new ATOM 0 HB1 ALA A 42 18.704 -14.841 -30.330 1.00 51.43 H new ATOM 0 HB2 ALA A 42 17.969 -16.447 -30.107 1.00 51.43 H new ATOM 0 HB3 ALA A 42 17.004 -14.979 -29.820 1.00 51.43 H new ATOM 586 N LEU A 43 17.464 -13.342 -27.386 1.00 42.54 N ATOM 587 CA LEU A 43 17.490 -11.957 -26.887 1.00 73.44 C ATOM 588 C LEU A 43 18.131 -11.950 -25.504 1.00 74.25 C ATOM 589 O LEU A 43 18.875 -11.030 -25.173 1.00 41.14 O ATOM 590 CB LEU A 43 16.075 -11.344 -26.809 1.00 34.22 C ATOM 591 CG LEU A 43 15.472 -10.783 -28.120 1.00 10.45 C ATOM 592 CD1 LEU A 43 15.117 -11.904 -29.120 1.00 23.35 C ATOM 593 CD2 LEU A 43 14.194 -9.977 -27.804 1.00 64.53 C ATOM 0 H LEU A 43 16.536 -13.764 -27.423 1.00 42.54 H new ATOM 0 HA LEU A 43 18.068 -11.350 -27.584 1.00 73.44 H new ATOM 0 HB2 LEU A 43 15.397 -12.107 -26.425 1.00 34.22 H new ATOM 0 HB3 LEU A 43 16.096 -10.538 -26.075 1.00 34.22 H new ATOM 0 HG LEU A 43 16.227 -10.143 -28.576 1.00 10.45 H new ATOM 0 HD11 LEU A 43 14.697 -11.465 -30.025 1.00 23.35 H new ATOM 0 HD12 LEU A 43 16.017 -12.465 -29.373 1.00 23.35 H new ATOM 0 HD13 LEU A 43 14.386 -12.575 -28.670 1.00 23.35 H new ATOM 0 HD21 LEU A 43 13.773 -9.584 -28.730 1.00 64.53 H new ATOM 0 HD22 LEU A 43 13.464 -10.627 -27.321 1.00 64.53 H new ATOM 0 HD23 LEU A 43 14.441 -9.150 -27.138 1.00 64.53 H new ATOM 605 N ALA A 44 17.897 -12.998 -24.718 1.00 33.25 N ATOM 606 CA ALA A 44 18.507 -13.104 -23.394 1.00 5.33 C ATOM 607 C ALA A 44 20.036 -13.189 -23.501 1.00 3.51 C ATOM 608 O ALA A 44 20.739 -12.584 -22.710 1.00 35.32 O ATOM 609 CB ALA A 44 17.959 -14.308 -22.642 1.00 71.40 C ATOM 0 H ALA A 44 17.294 -13.781 -24.972 1.00 33.25 H new ATOM 0 HA ALA A 44 18.253 -12.204 -22.834 1.00 5.33 H new ATOM 0 HB1 ALA A 44 18.427 -14.367 -21.659 1.00 71.40 H new ATOM 0 HB2 ALA A 44 16.880 -14.204 -22.524 1.00 71.40 H new ATOM 0 HB3 ALA A 44 18.176 -15.217 -23.203 1.00 71.40 H new ATOM 615 N MET A 45 20.543 -13.898 -24.476 1.00 34.23 N ATOM 616 CA MET A 45 21.981 -13.942 -24.742 1.00 32.44 C ATOM 617 C MET A 45 22.498 -12.571 -25.198 1.00 60.42 C ATOM 618 O MET A 45 23.640 -12.192 -24.877 1.00 3.23 O ATOM 619 CB MET A 45 22.324 -14.958 -25.839 1.00 32.30 C ATOM 620 CG MET A 45 22.005 -16.419 -25.477 1.00 13.13 C ATOM 621 SD MET A 45 22.929 -17.022 -24.033 1.00 22.02 S ATOM 622 CE MET A 45 24.609 -17.150 -24.704 1.00 0.35 C ATOM 0 H MET A 45 19.983 -14.464 -25.114 1.00 34.23 H new ATOM 0 HA MET A 45 22.457 -14.236 -23.807 1.00 32.44 H new ATOM 0 HB2 MET A 45 21.778 -14.694 -26.745 1.00 32.30 H new ATOM 0 HB3 MET A 45 23.386 -14.878 -26.072 1.00 32.30 H new ATOM 0 HG2 MET A 45 20.937 -16.512 -25.281 1.00 13.13 H new ATOM 0 HG3 MET A 45 22.228 -17.055 -26.334 1.00 13.13 H new ATOM 0 HE1 MET A 45 25.263 -17.608 -23.962 1.00 0.35 H new ATOM 0 HE2 MET A 45 24.595 -17.764 -25.605 1.00 0.35 H new ATOM 0 HE3 MET A 45 24.980 -16.155 -24.949 1.00 0.35 H new ATOM 632 N ARG A 46 21.690 -11.801 -25.912 1.00 53.41 N ATOM 633 CA ARG A 46 22.116 -10.450 -26.334 1.00 13.53 C ATOM 634 C ARG A 46 22.165 -9.520 -25.136 1.00 41.55 C ATOM 635 O ARG A 46 23.023 -8.644 -25.057 1.00 0.45 O ATOM 636 CB ARG A 46 21.151 -9.879 -27.393 1.00 31.24 C ATOM 637 CG ARG A 46 21.291 -10.561 -28.757 1.00 12.52 C ATOM 638 CD ARG A 46 22.617 -10.201 -29.463 1.00 55.31 C ATOM 639 NE ARG A 46 22.654 -8.772 -29.822 1.00 53.31 N ATOM 640 CZ ARG A 46 23.730 -8.123 -30.267 1.00 4.33 C ATOM 641 NH1 ARG A 46 24.892 -8.704 -30.412 1.00 60.32 N ATOM 642 NH2 ARG A 46 23.639 -6.846 -30.590 1.00 34.23 N ATOM 0 H ARG A 46 20.753 -12.069 -26.212 1.00 53.41 H new ATOM 0 HA ARG A 46 23.111 -10.528 -26.772 1.00 13.53 H new ATOM 0 HB2 ARG A 46 20.126 -9.990 -27.040 1.00 31.24 H new ATOM 0 HB3 ARG A 46 21.335 -8.811 -27.506 1.00 31.24 H new ATOM 0 HG2 ARG A 46 21.234 -11.642 -28.627 1.00 12.52 H new ATOM 0 HG3 ARG A 46 20.454 -10.271 -29.392 1.00 12.52 H new ATOM 0 HD2 ARG A 46 23.457 -10.437 -28.809 1.00 55.31 H new ATOM 0 HD3 ARG A 46 22.731 -10.808 -30.361 1.00 55.31 H new ATOM 0 HE ARG A 46 21.790 -8.239 -29.722 1.00 53.31 H new ATOM 0 HH11 ARG A 46 25.001 -9.692 -30.181 1.00 60.32 H new ATOM 0 HH12 ARG A 46 25.690 -8.170 -30.756 1.00 60.32 H new ATOM 0 HH21 ARG A 46 22.747 -6.359 -30.499 1.00 34.23 H new ATOM 0 HH22 ARG A 46 24.460 -6.346 -30.931 1.00 34.23 H new ATOM 656 N LEU A 47 21.253 -9.723 -24.185 1.00 72.42 N ATOM 657 CA LEU A 47 21.228 -8.937 -22.948 1.00 3.14 C ATOM 658 C LEU A 47 22.542 -9.096 -22.199 1.00 54.44 C ATOM 659 O LEU A 47 23.095 -8.108 -21.743 1.00 21.52 O ATOM 660 CB LEU A 47 20.060 -9.391 -22.047 1.00 5.13 C ATOM 661 CG LEU A 47 19.900 -8.647 -20.713 1.00 41.22 C ATOM 662 CD1 LEU A 47 19.538 -7.165 -20.908 1.00 34.42 C ATOM 663 CD2 LEU A 47 18.823 -9.303 -19.889 1.00 35.23 C ATOM 0 H LEU A 47 20.518 -10.428 -24.247 1.00 72.42 H new ATOM 0 HA LEU A 47 21.089 -7.888 -23.209 1.00 3.14 H new ATOM 0 HB2 LEU A 47 19.133 -9.286 -22.610 1.00 5.13 H new ATOM 0 HB3 LEU A 47 20.185 -10.453 -21.834 1.00 5.13 H new ATOM 0 HG LEU A 47 20.862 -8.697 -20.203 1.00 41.22 H new ATOM 0 HD11 LEU A 47 19.436 -6.684 -19.935 1.00 34.42 H new ATOM 0 HD12 LEU A 47 20.325 -6.670 -21.477 1.00 34.42 H new ATOM 0 HD13 LEU A 47 18.596 -7.089 -21.451 1.00 34.42 H new ATOM 0 HD21 LEU A 47 18.714 -8.771 -18.944 1.00 35.23 H new ATOM 0 HD22 LEU A 47 17.879 -9.273 -20.434 1.00 35.23 H new ATOM 0 HD23 LEU A 47 19.096 -10.340 -19.693 1.00 35.23 H new ATOM 675 N ILE A 48 23.057 -10.322 -22.147 1.00 12.35 N ATOM 676 CA ILE A 48 24.328 -10.586 -21.448 1.00 43.12 C ATOM 677 C ILE A 48 25.439 -9.771 -22.106 1.00 51.02 C ATOM 678 O ILE A 48 26.214 -9.095 -21.441 1.00 64.34 O ATOM 679 CB ILE A 48 24.744 -12.088 -21.499 1.00 11.32 C ATOM 680 CG1 ILE A 48 23.615 -12.958 -20.888 1.00 4.04 C ATOM 681 CG2 ILE A 48 26.077 -12.316 -20.719 1.00 1.53 C ATOM 682 CD1 ILE A 48 23.851 -14.486 -20.934 1.00 51.11 C ATOM 0 H ILE A 48 22.627 -11.143 -22.572 1.00 12.35 H new ATOM 0 HA ILE A 48 24.181 -10.307 -20.405 1.00 43.12 H new ATOM 0 HB ILE A 48 24.902 -12.375 -22.538 1.00 11.32 H new ATOM 0 HG12 ILE A 48 23.474 -12.661 -19.849 1.00 4.04 H new ATOM 0 HG13 ILE A 48 22.685 -12.736 -21.412 1.00 4.04 H new ATOM 0 HG21 ILE A 48 26.350 -13.370 -20.766 1.00 1.53 H new ATOM 0 HG22 ILE A 48 26.868 -11.715 -21.168 1.00 1.53 H new ATOM 0 HG23 ILE A 48 25.944 -12.022 -19.678 1.00 1.53 H new ATOM 0 HD11 ILE A 48 23.002 -14.999 -20.481 1.00 51.11 H new ATOM 0 HD12 ILE A 48 23.958 -14.807 -21.970 1.00 51.11 H new ATOM 0 HD13 ILE A 48 24.759 -14.731 -20.383 1.00 51.11 H new ATOM 694 N ALA A 49 25.488 -9.822 -23.428 1.00 65.14 N ATOM 695 CA ALA A 49 26.509 -9.108 -24.191 1.00 4.52 C ATOM 696 C ALA A 49 26.454 -7.589 -24.006 1.00 33.43 C ATOM 697 O ALA A 49 27.470 -6.938 -23.856 1.00 24.25 O ATOM 698 CB ALA A 49 26.357 -9.477 -25.659 1.00 21.52 C ATOM 0 H ALA A 49 24.831 -10.352 -24.000 1.00 65.14 H new ATOM 0 HA ALA A 49 27.485 -9.413 -23.814 1.00 4.52 H new ATOM 0 HB1 ALA A 49 27.112 -8.953 -26.246 1.00 21.52 H new ATOM 0 HB2 ALA A 49 26.486 -10.553 -25.779 1.00 21.52 H new ATOM 0 HB3 ALA A 49 25.364 -9.190 -26.005 1.00 21.52 H new ATOM 704 N ARG A 50 25.256 -7.039 -24.014 1.00 61.42 N ATOM 705 CA ARG A 50 25.086 -5.585 -23.888 1.00 12.52 C ATOM 706 C ARG A 50 25.435 -5.128 -22.491 1.00 61.32 C ATOM 707 O ARG A 50 26.111 -4.126 -22.322 1.00 33.22 O ATOM 708 CB ARG A 50 23.678 -5.160 -24.242 1.00 32.54 C ATOM 709 CG ARG A 50 23.319 -5.296 -25.723 1.00 55.44 C ATOM 710 CD ARG A 50 23.814 -4.076 -26.520 1.00 61.04 C ATOM 711 NE ARG A 50 25.205 -4.214 -26.950 1.00 4.34 N ATOM 712 CZ ARG A 50 26.012 -3.188 -27.201 1.00 34.13 C ATOM 713 NH1 ARG A 50 25.623 -1.943 -27.031 1.00 50.34 N ATOM 714 NH2 ARG A 50 27.221 -3.395 -27.629 1.00 35.05 N ATOM 0 H ARG A 50 24.385 -7.563 -24.105 1.00 61.42 H new ATOM 0 HA ARG A 50 25.768 -5.111 -24.594 1.00 12.52 H new ATOM 0 HB2 ARG A 50 22.976 -5.754 -23.657 1.00 32.54 H new ATOM 0 HB3 ARG A 50 23.542 -4.121 -23.944 1.00 32.54 H new ATOM 0 HG2 ARG A 50 23.764 -6.205 -26.128 1.00 55.44 H new ATOM 0 HG3 ARG A 50 22.239 -5.394 -25.832 1.00 55.44 H new ATOM 0 HD2 ARG A 50 23.179 -3.936 -27.395 1.00 61.04 H new ATOM 0 HD3 ARG A 50 23.714 -3.181 -25.907 1.00 61.04 H new ATOM 0 HE ARG A 50 25.579 -5.156 -27.064 1.00 4.34 H new ATOM 0 HH11 ARG A 50 24.680 -1.744 -26.698 1.00 50.34 H new ATOM 0 HH12 ARG A 50 26.265 -1.176 -27.232 1.00 50.34 H new ATOM 0 HH21 ARG A 50 27.555 -4.348 -27.774 1.00 35.05 H new ATOM 0 HH22 ARG A 50 27.837 -2.605 -27.820 1.00 35.05 H new ATOM 728 N ILE A 51 25.039 -5.889 -21.479 1.00 1.02 N ATOM 729 CA ILE A 51 25.439 -5.590 -20.109 1.00 1.12 C ATOM 730 C ILE A 51 26.984 -5.628 -20.019 1.00 32.02 C ATOM 731 O ILE A 51 27.599 -4.803 -19.357 1.00 11.41 O ATOM 732 CB ILE A 51 24.812 -6.605 -19.087 1.00 54.41 C ATOM 733 CG1 ILE A 51 23.284 -6.348 -18.977 1.00 53.21 C ATOM 734 CG2 ILE A 51 25.433 -6.460 -17.680 1.00 43.52 C ATOM 735 CD1 ILE A 51 22.513 -7.456 -18.207 1.00 24.43 C ATOM 0 H ILE A 51 24.445 -6.712 -21.579 1.00 1.02 H new ATOM 0 HA ILE A 51 25.071 -4.598 -19.847 1.00 1.12 H new ATOM 0 HB ILE A 51 25.015 -7.611 -19.455 1.00 54.41 H new ATOM 0 HG12 ILE A 51 23.121 -5.392 -18.479 1.00 53.21 H new ATOM 0 HG13 ILE A 51 22.867 -6.259 -19.980 1.00 53.21 H new ATOM 0 HG21 ILE A 51 24.972 -7.179 -17.003 1.00 43.52 H new ATOM 0 HG22 ILE A 51 26.505 -6.648 -17.734 1.00 43.52 H new ATOM 0 HG23 ILE A 51 25.260 -5.450 -17.308 1.00 43.52 H new ATOM 0 HD11 ILE A 51 21.453 -7.205 -18.173 1.00 24.43 H new ATOM 0 HD12 ILE A 51 22.643 -8.411 -18.716 1.00 24.43 H new ATOM 0 HD13 ILE A 51 22.901 -7.531 -17.191 1.00 24.43 H new ATOM 747 N ARG A 52 27.614 -6.565 -20.692 1.00 15.04 N ATOM 748 CA ARG A 52 29.073 -6.651 -20.632 1.00 34.23 C ATOM 749 C ARG A 52 29.769 -5.430 -21.238 1.00 53.52 C ATOM 750 O ARG A 52 30.801 -5.016 -20.747 1.00 72.42 O ATOM 751 CB ARG A 52 29.546 -7.935 -21.297 1.00 0.54 C ATOM 752 CG ARG A 52 30.686 -8.623 -20.527 1.00 52.23 C ATOM 753 CD ARG A 52 32.074 -8.017 -20.944 1.00 1.32 C ATOM 754 NE ARG A 52 33.160 -8.911 -20.512 1.00 71.14 N ATOM 755 CZ ARG A 52 33.929 -8.739 -19.421 1.00 30.41 C ATOM 756 NH1 ARG A 52 33.796 -7.700 -18.650 1.00 13.14 N ATOM 757 NH2 ARG A 52 34.836 -9.635 -19.116 1.00 74.22 N ATOM 0 H ARG A 52 27.161 -7.267 -21.277 1.00 15.04 H new ATOM 0 HA ARG A 52 29.352 -6.666 -19.579 1.00 34.23 H new ATOM 0 HB2 ARG A 52 28.706 -8.624 -21.384 1.00 0.54 H new ATOM 0 HB3 ARG A 52 29.881 -7.711 -22.310 1.00 0.54 H new ATOM 0 HG2 ARG A 52 30.535 -8.499 -19.455 1.00 52.23 H new ATOM 0 HG3 ARG A 52 30.675 -9.694 -20.729 1.00 52.23 H new ATOM 0 HD2 ARG A 52 32.111 -7.881 -22.025 1.00 1.32 H new ATOM 0 HD3 ARG A 52 32.201 -7.032 -20.494 1.00 1.32 H new ATOM 0 HE ARG A 52 33.346 -9.731 -21.089 1.00 71.14 H new ATOM 0 HH11 ARG A 52 33.096 -6.991 -18.866 1.00 13.14 H new ATOM 0 HH12 ARG A 52 34.392 -7.594 -17.829 1.00 13.14 H new ATOM 0 HH21 ARG A 52 34.957 -10.459 -19.705 1.00 74.22 H new ATOM 0 HH22 ARG A 52 35.421 -9.508 -18.290 1.00 74.22 H new ATOM 771 N GLU A 53 29.182 -4.851 -22.259 1.00 55.11 N ATOM 772 CA GLU A 53 29.756 -3.660 -22.892 1.00 33.14 C ATOM 773 C GLU A 53 29.519 -2.404 -22.048 1.00 14.21 C ATOM 774 O GLU A 53 30.413 -1.595 -21.899 1.00 10.14 O ATOM 775 CB GLU A 53 29.120 -3.450 -24.272 1.00 4.24 C ATOM 776 CG GLU A 53 29.558 -4.460 -25.326 1.00 51.21 C ATOM 777 CD GLU A 53 30.733 -3.958 -26.116 1.00 3.34 C ATOM 778 OE1 GLU A 53 30.578 -3.012 -26.925 1.00 70.31 O ATOM 779 OE2 GLU A 53 31.818 -4.565 -25.982 1.00 41.04 O ATOM 0 H GLU A 53 28.310 -5.175 -22.677 1.00 55.11 H new ATOM 0 HA GLU A 53 30.830 -3.821 -22.985 1.00 33.14 H new ATOM 0 HB2 GLU A 53 28.036 -3.496 -24.170 1.00 4.24 H new ATOM 0 HB3 GLU A 53 29.365 -2.447 -24.623 1.00 4.24 H new ATOM 0 HG2 GLU A 53 29.819 -5.402 -24.843 1.00 51.21 H new ATOM 0 HG3 GLU A 53 28.727 -4.667 -26.000 1.00 51.21 H new ATOM 786 N GLU A 54 28.310 -2.224 -21.527 1.00 64.55 N ATOM 787 CA GLU A 54 27.963 -1.014 -20.807 1.00 45.23 C ATOM 788 C GLU A 54 28.465 -1.000 -19.363 1.00 1.54 C ATOM 789 O GLU A 54 28.882 0.050 -18.834 1.00 62.33 O ATOM 790 CB GLU A 54 26.431 -0.848 -20.796 1.00 14.12 C ATOM 791 CG GLU A 54 25.727 -0.691 -22.177 1.00 24.33 C ATOM 792 CD GLU A 54 26.161 0.609 -22.878 1.00 74.42 C ATOM 793 OE1 GLU A 54 26.240 1.666 -22.224 1.00 41.20 O ATOM 794 OE2 GLU A 54 26.342 0.563 -24.142 1.00 55.35 O ATOM 0 H GLU A 54 27.555 -2.906 -21.593 1.00 64.55 H new ATOM 0 HA GLU A 54 28.452 -0.191 -21.329 1.00 45.23 H new ATOM 0 HB2 GLU A 54 26.000 -1.713 -20.292 1.00 14.12 H new ATOM 0 HB3 GLU A 54 26.189 0.026 -20.191 1.00 14.12 H new ATOM 0 HG2 GLU A 54 25.966 -1.546 -22.810 1.00 24.33 H new ATOM 0 HG3 GLU A 54 24.646 -0.689 -22.039 1.00 24.33 H new ATOM 801 N LEU A 55 28.419 -2.170 -18.718 1.00 21.32 N ATOM 802 CA LEU A 55 28.744 -2.264 -17.286 1.00 41.45 C ATOM 803 C LEU A 55 30.021 -3.052 -16.983 1.00 21.05 C ATOM 804 O LEU A 55 30.492 -3.062 -15.858 1.00 64.31 O ATOM 805 CB LEU A 55 27.565 -2.912 -16.538 1.00 34.05 C ATOM 806 CG LEU A 55 26.508 -1.971 -15.939 1.00 73.10 C ATOM 807 CD1 LEU A 55 27.059 -1.289 -14.695 1.00 75.35 C ATOM 808 CD2 LEU A 55 26.027 -0.891 -16.920 1.00 31.40 C ATOM 0 H LEU A 55 28.164 -3.056 -19.155 1.00 21.32 H new ATOM 0 HA LEU A 55 28.923 -1.243 -16.947 1.00 41.45 H new ATOM 0 HB2 LEU A 55 27.061 -3.591 -17.226 1.00 34.05 H new ATOM 0 HB3 LEU A 55 27.971 -3.521 -15.730 1.00 34.05 H new ATOM 0 HG LEU A 55 25.651 -2.598 -15.694 1.00 73.10 H new ATOM 0 HD11 LEU A 55 26.302 -0.625 -14.279 1.00 75.35 H new ATOM 0 HD12 LEU A 55 27.326 -2.043 -13.955 1.00 75.35 H new ATOM 0 HD13 LEU A 55 27.944 -0.710 -14.959 1.00 75.35 H new ATOM 0 HD21 LEU A 55 25.282 -0.262 -16.432 1.00 31.40 H new ATOM 0 HD22 LEU A 55 26.873 -0.278 -17.230 1.00 31.40 H new ATOM 0 HD23 LEU A 55 25.584 -1.366 -17.795 1.00 31.40 H new ATOM 820 N GLY A 56 30.574 -3.733 -17.956 1.00 44.51 N ATOM 821 CA GLY A 56 31.819 -4.467 -17.754 1.00 31.13 C ATOM 822 C GLY A 56 31.729 -5.749 -16.945 1.00 32.43 C ATOM 823 O GLY A 56 32.701 -6.166 -16.319 1.00 51.35 O ATOM 0 H GLY A 56 30.190 -3.800 -18.898 1.00 44.51 H new ATOM 0 HA2 GLY A 56 32.234 -4.710 -18.732 1.00 31.13 H new ATOM 0 HA3 GLY A 56 32.530 -3.803 -17.262 1.00 31.13 H new ATOM 827 N VAL A 57 30.523 -6.342 -16.874 1.00 13.34 N ATOM 828 CA VAL A 57 30.326 -7.551 -16.084 1.00 62.10 C ATOM 829 C VAL A 57 29.655 -8.632 -16.890 1.00 24.21 C ATOM 830 O VAL A 57 28.726 -8.396 -17.623 1.00 55.43 O ATOM 831 CB VAL A 57 29.521 -7.216 -14.767 1.00 42.24 C ATOM 832 CG1 VAL A 57 28.081 -6.661 -15.099 1.00 33.12 C ATOM 833 CG2 VAL A 57 29.440 -8.465 -13.819 1.00 1.13 C ATOM 0 H VAL A 57 29.687 -6.003 -17.350 1.00 13.34 H new ATOM 0 HA VAL A 57 31.303 -7.937 -15.794 1.00 62.10 H new ATOM 0 HB VAL A 57 30.064 -6.431 -14.240 1.00 42.24 H new ATOM 0 HG11 VAL A 57 27.553 -6.440 -14.171 1.00 33.12 H new ATOM 0 HG12 VAL A 57 28.170 -5.750 -15.691 1.00 33.12 H new ATOM 0 HG13 VAL A 57 27.524 -7.409 -15.664 1.00 33.12 H new ATOM 0 HG21 VAL A 57 28.880 -8.204 -12.921 1.00 1.13 H new ATOM 0 HG22 VAL A 57 28.937 -9.282 -14.336 1.00 1.13 H new ATOM 0 HG23 VAL A 57 30.447 -8.777 -13.541 1.00 1.13 H new ATOM 843 N ASP A 58 30.179 -9.850 -16.737 1.00 53.24 N ATOM 844 CA ASP A 58 29.664 -11.008 -17.446 1.00 15.21 C ATOM 845 C ASP A 58 28.675 -11.779 -16.560 1.00 53.25 C ATOM 846 O ASP A 58 29.042 -12.344 -15.515 1.00 12.41 O ATOM 847 CB ASP A 58 30.804 -11.952 -17.879 1.00 41.42 C ATOM 848 CG ASP A 58 30.317 -13.053 -18.817 1.00 32.44 C ATOM 849 OD1 ASP A 58 29.525 -12.743 -19.738 1.00 35.13 O ATOM 850 OD2 ASP A 58 30.743 -14.195 -18.663 1.00 11.05 O ATOM 0 H ASP A 58 30.966 -10.054 -16.121 1.00 53.24 H new ATOM 0 HA ASP A 58 29.152 -10.648 -18.338 1.00 15.21 H new ATOM 0 HB2 ASP A 58 31.584 -11.374 -18.375 1.00 41.42 H new ATOM 0 HB3 ASP A 58 31.255 -12.403 -16.995 1.00 41.42 H new ATOM 855 N LEU A 59 27.421 -11.809 -16.968 1.00 72.32 N ATOM 856 CA LEU A 59 26.401 -12.532 -16.219 1.00 4.12 C ATOM 857 C LEU A 59 26.123 -13.899 -16.844 1.00 14.01 C ATOM 858 O LEU A 59 25.735 -13.997 -18.004 1.00 71.13 O ATOM 859 CB LEU A 59 25.084 -11.741 -16.220 1.00 70.25 C ATOM 860 CG LEU A 59 23.995 -12.332 -15.320 1.00 12.34 C ATOM 861 CD1 LEU A 59 24.272 -12.005 -13.841 1.00 2.35 C ATOM 862 CD2 LEU A 59 22.617 -11.806 -15.700 1.00 63.14 C ATOM 0 H LEU A 59 27.081 -11.344 -17.810 1.00 72.32 H new ATOM 0 HA LEU A 59 26.774 -12.660 -15.203 1.00 4.12 H new ATOM 0 HB2 LEU A 59 25.287 -10.719 -15.902 1.00 70.25 H new ATOM 0 HB3 LEU A 59 24.706 -11.688 -17.241 1.00 70.25 H new ATOM 0 HG LEU A 59 24.011 -13.413 -15.461 1.00 12.34 H new ATOM 0 HD11 LEU A 59 23.486 -12.435 -13.220 1.00 2.35 H new ATOM 0 HD12 LEU A 59 25.235 -12.425 -13.550 1.00 2.35 H new ATOM 0 HD13 LEU A 59 24.292 -10.924 -13.705 1.00 2.35 H new ATOM 0 HD21 LEU A 59 21.866 -12.244 -15.043 1.00 63.14 H new ATOM 0 HD22 LEU A 59 22.601 -10.721 -15.597 1.00 63.14 H new ATOM 0 HD23 LEU A 59 22.397 -12.076 -16.733 1.00 63.14 H new ATOM 874 N PRO A 60 26.263 -14.982 -16.068 1.00 63.11 N ATOM 875 CA PRO A 60 25.955 -16.244 -16.757 1.00 13.10 C ATOM 876 C PRO A 60 24.457 -16.434 -16.985 1.00 73.44 C ATOM 877 O PRO A 60 23.631 -16.046 -16.174 1.00 63.55 O ATOM 878 CB PRO A 60 26.505 -17.317 -15.803 1.00 64.10 C ATOM 879 CG PRO A 60 26.358 -16.697 -14.484 1.00 51.11 C ATOM 880 CD PRO A 60 26.700 -15.223 -14.684 1.00 44.34 C ATOM 0 HA PRO A 60 26.394 -16.282 -17.754 1.00 13.10 H new ATOM 0 HB2 PRO A 60 25.942 -18.248 -15.876 1.00 64.10 H new ATOM 0 HB3 PRO A 60 27.546 -17.556 -16.022 1.00 64.10 H new ATOM 0 HG2 PRO A 60 25.343 -16.816 -14.106 1.00 51.11 H new ATOM 0 HG3 PRO A 60 27.025 -17.159 -13.757 1.00 51.11 H new ATOM 0 HD2 PRO A 60 26.174 -14.584 -13.975 1.00 44.34 H new ATOM 0 HD3 PRO A 60 27.765 -15.032 -14.555 1.00 44.34 H new ATOM 888 N ILE A 61 24.104 -17.100 -18.087 1.00 55.21 N ATOM 889 CA ILE A 61 22.706 -17.371 -18.459 1.00 24.53 C ATOM 890 C ILE A 61 21.977 -18.150 -17.356 1.00 73.53 C ATOM 891 O ILE A 61 20.773 -18.009 -17.189 1.00 51.14 O ATOM 892 CB ILE A 61 22.641 -18.141 -19.877 1.00 32.20 C ATOM 893 CG1 ILE A 61 21.194 -18.149 -20.448 1.00 23.14 C ATOM 894 CG2 ILE A 61 23.166 -19.571 -19.755 1.00 24.14 C ATOM 895 CD1 ILE A 61 20.667 -16.765 -20.891 1.00 35.21 C ATOM 0 H ILE A 61 24.782 -17.470 -18.753 1.00 55.21 H new ATOM 0 HA ILE A 61 22.189 -16.418 -18.570 1.00 24.53 H new ATOM 0 HB ILE A 61 23.282 -17.596 -20.570 1.00 32.20 H new ATOM 0 HG12 ILE A 61 21.158 -18.826 -21.301 1.00 23.14 H new ATOM 0 HG13 ILE A 61 20.522 -18.554 -19.691 1.00 23.14 H new ATOM 0 HG21 ILE A 61 23.109 -20.063 -20.726 1.00 24.14 H new ATOM 0 HG22 ILE A 61 24.203 -19.551 -19.418 1.00 24.14 H new ATOM 0 HG23 ILE A 61 22.561 -20.120 -19.034 1.00 24.14 H new ATOM 0 HD11 ILE A 61 19.652 -16.868 -21.275 1.00 35.21 H new ATOM 0 HD12 ILE A 61 20.665 -16.086 -20.038 1.00 35.21 H new ATOM 0 HD13 ILE A 61 21.312 -16.363 -21.673 1.00 35.21 H new ATOM 907 N ARG A 62 22.704 -18.919 -16.556 1.00 55.20 N ATOM 908 CA ARG A 62 22.094 -19.670 -15.441 1.00 0.13 C ATOM 909 C ARG A 62 21.483 -18.739 -14.405 1.00 75.32 C ATOM 910 O ARG A 62 20.473 -19.075 -13.807 1.00 13.10 O ATOM 911 CB ARG A 62 23.114 -20.608 -14.767 1.00 2.23 C ATOM 912 CG ARG A 62 23.558 -21.803 -15.627 1.00 1.41 C ATOM 913 CD ARG A 62 24.451 -22.741 -14.812 1.00 62.14 C ATOM 914 NE ARG A 62 23.677 -23.455 -13.797 1.00 41.13 N ATOM 915 CZ ARG A 62 23.193 -24.687 -13.914 1.00 25.54 C ATOM 916 NH1 ARG A 62 23.337 -25.403 -14.988 1.00 51.14 N ATOM 917 NH2 ARG A 62 22.560 -25.200 -12.917 1.00 65.53 N ATOM 0 H ARG A 62 23.712 -19.046 -16.649 1.00 55.20 H new ATOM 0 HA ARG A 62 21.297 -20.276 -15.871 1.00 0.13 H new ATOM 0 HB2 ARG A 62 23.995 -20.027 -14.494 1.00 2.23 H new ATOM 0 HB3 ARG A 62 22.682 -20.986 -13.840 1.00 2.23 H new ATOM 0 HG2 ARG A 62 22.684 -22.345 -15.988 1.00 1.41 H new ATOM 0 HG3 ARG A 62 24.098 -21.448 -16.505 1.00 1.41 H new ATOM 0 HD2 ARG A 62 24.933 -23.458 -15.477 1.00 62.14 H new ATOM 0 HD3 ARG A 62 25.244 -22.167 -14.332 1.00 62.14 H new ATOM 0 HE ARG A 62 23.492 -22.964 -12.922 1.00 41.13 H new ATOM 0 HH11 ARG A 62 23.840 -25.024 -15.790 1.00 51.14 H new ATOM 0 HH12 ARG A 62 22.947 -26.345 -15.029 1.00 51.14 H new ATOM 0 HH21 ARG A 62 22.438 -24.662 -12.059 1.00 65.53 H new ATOM 0 HH22 ARG A 62 22.180 -26.144 -12.985 1.00 65.53 H new ATOM 931 N GLN A 63 22.105 -17.590 -14.162 1.00 43.21 N ATOM 932 CA GLN A 63 21.564 -16.688 -13.155 1.00 31.23 C ATOM 933 C GLN A 63 20.385 -15.918 -13.714 1.00 62.45 C ATOM 934 O GLN A 63 19.492 -15.551 -12.968 1.00 35.30 O ATOM 935 CB GLN A 63 22.602 -15.713 -12.627 1.00 34.22 C ATOM 936 CG GLN A 63 23.270 -16.210 -11.342 1.00 3.53 C ATOM 937 CD GLN A 63 24.243 -15.188 -10.752 1.00 31.22 C ATOM 938 OE1 GLN A 63 25.114 -14.679 -11.447 1.00 33.00 O ATOM 939 NE2 GLN A 63 24.126 -14.951 -9.480 1.00 63.14 N ATOM 0 H GLN A 63 22.953 -17.270 -14.630 1.00 43.21 H new ATOM 0 HA GLN A 63 21.240 -17.309 -12.320 1.00 31.23 H new ATOM 0 HB2 GLN A 63 23.364 -15.550 -13.389 1.00 34.22 H new ATOM 0 HB3 GLN A 63 22.128 -14.750 -12.438 1.00 34.22 H new ATOM 0 HG2 GLN A 63 22.502 -16.443 -10.604 1.00 3.53 H new ATOM 0 HG3 GLN A 63 23.804 -17.137 -11.550 1.00 3.53 H new ATOM 0 HE21 GLN A 63 23.383 -15.400 -8.944 1.00 63.14 H new ATOM 0 HE22 GLN A 63 24.777 -14.316 -9.018 1.00 63.14 H new ATOM 948 N LEU A 64 20.361 -15.726 -15.024 1.00 51.22 N ATOM 949 CA LEU A 64 19.241 -15.039 -15.684 1.00 33.40 C ATOM 950 C LEU A 64 17.918 -15.803 -15.511 1.00 44.32 C ATOM 951 O LEU A 64 16.865 -15.206 -15.346 1.00 13.20 O ATOM 952 CB LEU A 64 19.556 -14.825 -17.170 1.00 75.41 C ATOM 953 CG LEU A 64 19.517 -13.356 -17.611 1.00 34.12 C ATOM 954 CD1 LEU A 64 20.132 -13.216 -18.996 1.00 52.11 C ATOM 955 CD2 LEU A 64 18.082 -12.822 -17.651 1.00 41.32 C ATOM 0 H LEU A 64 21.099 -16.033 -15.658 1.00 51.22 H new ATOM 0 HA LEU A 64 19.116 -14.068 -15.204 1.00 33.40 H new ATOM 0 HB2 LEU A 64 20.545 -15.232 -17.383 1.00 75.41 H new ATOM 0 HB3 LEU A 64 18.842 -15.392 -17.767 1.00 75.41 H new ATOM 0 HG LEU A 64 20.086 -12.777 -16.884 1.00 34.12 H new ATOM 0 HD11 LEU A 64 20.101 -12.171 -19.304 1.00 52.11 H new ATOM 0 HD12 LEU A 64 21.167 -13.557 -18.971 1.00 52.11 H new ATOM 0 HD13 LEU A 64 19.569 -13.820 -19.707 1.00 52.11 H new ATOM 0 HD21 LEU A 64 18.091 -11.779 -17.967 1.00 41.32 H new ATOM 0 HD22 LEU A 64 17.494 -13.410 -18.356 1.00 41.32 H new ATOM 0 HD23 LEU A 64 17.638 -12.896 -16.658 1.00 41.32 H new ATOM 967 N PHE A 65 17.980 -17.134 -15.509 1.00 23.22 N ATOM 968 CA PHE A 65 16.777 -17.943 -15.314 1.00 55.11 C ATOM 969 C PHE A 65 16.168 -17.745 -13.926 1.00 32.03 C ATOM 970 O PHE A 65 14.954 -17.754 -13.761 1.00 2.11 O ATOM 971 CB PHE A 65 17.098 -19.421 -15.500 1.00 71.01 C ATOM 972 CG PHE A 65 17.670 -19.777 -16.858 1.00 1.34 C ATOM 973 CD1 PHE A 65 17.143 -19.221 -18.039 1.00 10.24 C ATOM 974 CD2 PHE A 65 18.725 -20.706 -16.955 1.00 2.42 C ATOM 975 CE1 PHE A 65 17.653 -19.605 -19.312 1.00 13.11 C ATOM 976 CE2 PHE A 65 19.240 -21.096 -18.219 1.00 14.50 C ATOM 977 CZ PHE A 65 18.701 -20.544 -19.385 1.00 50.44 C ATOM 0 H PHE A 65 18.838 -17.670 -15.638 1.00 23.22 H new ATOM 0 HA PHE A 65 16.052 -17.615 -16.059 1.00 55.11 H new ATOM 0 HB2 PHE A 65 17.808 -19.725 -14.731 1.00 71.01 H new ATOM 0 HB3 PHE A 65 16.188 -20.000 -15.341 1.00 71.01 H new ATOM 0 HD1 PHE A 65 16.344 -18.496 -17.979 1.00 10.24 H new ATOM 0 HD2 PHE A 65 19.148 -21.127 -16.055 1.00 2.42 H new ATOM 0 HE1 PHE A 65 17.240 -19.180 -20.215 1.00 13.11 H new ATOM 0 HE2 PHE A 65 20.044 -21.815 -18.280 1.00 14.50 H new ATOM 0 HZ PHE A 65 19.091 -20.839 -20.348 1.00 50.44 H new ATOM 987 N SER A 66 17.012 -17.534 -12.929 1.00 62.51 N ATOM 988 CA SER A 66 16.559 -17.307 -11.560 1.00 4.12 C ATOM 989 C SER A 66 16.327 -15.814 -11.287 1.00 11.31 C ATOM 990 O SER A 66 15.692 -15.427 -10.293 1.00 74.21 O ATOM 991 CB SER A 66 17.638 -17.789 -10.581 1.00 45.21 C ATOM 992 OG SER A 66 18.001 -19.115 -10.909 1.00 21.24 O ATOM 0 H SER A 66 18.026 -17.515 -13.041 1.00 62.51 H new ATOM 0 HA SER A 66 15.624 -17.852 -11.428 1.00 4.12 H new ATOM 0 HB2 SER A 66 18.510 -17.137 -10.632 1.00 45.21 H new ATOM 0 HB3 SER A 66 17.265 -17.743 -9.558 1.00 45.21 H new ATOM 0 HG SER A 66 18.691 -19.428 -10.288 1.00 21.24 H new ATOM 998 N SER A 67 16.808 -14.994 -12.187 1.00 75.35 N ATOM 999 CA SER A 67 16.715 -13.535 -12.111 1.00 45.51 C ATOM 1000 C SER A 67 16.057 -12.971 -13.378 1.00 13.31 C ATOM 1001 O SER A 67 16.714 -12.234 -14.139 1.00 34.01 O ATOM 1002 CB SER A 67 18.107 -12.917 -11.965 1.00 41.44 C ATOM 1003 OG SER A 67 18.851 -13.608 -10.972 1.00 21.34 O ATOM 0 H SER A 67 17.292 -15.321 -13.023 1.00 75.35 H new ATOM 0 HA SER A 67 16.109 -13.284 -11.241 1.00 45.51 H new ATOM 0 HB2 SER A 67 18.633 -12.960 -12.919 1.00 41.44 H new ATOM 0 HB3 SER A 67 18.019 -11.864 -11.696 1.00 41.44 H new ATOM 0 HG SER A 67 19.248 -14.415 -11.363 1.00 21.34 H new ATOM 1009 N PRO A 68 14.802 -13.341 -13.673 1.00 3.44 N ATOM 1010 CA PRO A 68 14.254 -12.917 -14.965 1.00 25.53 C ATOM 1011 C PRO A 68 13.819 -11.464 -15.013 1.00 71.33 C ATOM 1012 O PRO A 68 13.495 -10.962 -16.083 1.00 23.42 O ATOM 1013 CB PRO A 68 13.062 -13.842 -15.138 1.00 74.02 C ATOM 1014 CG PRO A 68 12.580 -14.087 -13.761 1.00 23.31 C ATOM 1015 CD PRO A 68 13.846 -14.190 -12.944 1.00 21.42 C ATOM 0 HA PRO A 68 15.003 -12.981 -15.755 1.00 25.53 H new ATOM 0 HB2 PRO A 68 12.289 -13.382 -15.753 1.00 74.02 H new ATOM 0 HB3 PRO A 68 13.349 -14.772 -15.629 1.00 74.02 H new ATOM 0 HG2 PRO A 68 11.944 -13.275 -13.410 1.00 23.31 H new ATOM 0 HG3 PRO A 68 11.991 -15.002 -13.701 1.00 23.31 H new ATOM 0 HD2 PRO A 68 13.694 -13.837 -11.924 1.00 21.42 H new ATOM 0 HD3 PRO A 68 14.196 -15.220 -12.876 1.00 21.42 H new ATOM 1023 N THR A 69 13.756 -10.817 -13.854 1.00 64.30 N ATOM 1024 CA THR A 69 13.366 -9.412 -13.730 1.00 33.14 C ATOM 1025 C THR A 69 14.607 -8.591 -13.429 1.00 23.13 C ATOM 1026 O THR A 69 15.593 -9.136 -12.869 1.00 61.03 O ATOM 1027 CB THR A 69 12.401 -9.175 -12.544 1.00 52.42 C ATOM 1028 OG1 THR A 69 13.027 -9.612 -11.325 1.00 71.44 O ATOM 1029 CG2 THR A 69 11.138 -9.932 -12.694 1.00 11.34 C ATOM 0 H THR A 69 13.977 -11.257 -12.961 1.00 64.30 H new ATOM 0 HA THR A 69 12.878 -9.130 -14.663 1.00 33.14 H new ATOM 0 HB THR A 69 12.175 -8.109 -12.522 1.00 52.42 H new ATOM 0 HG1 THR A 69 12.418 -9.461 -10.572 1.00 71.44 H new ATOM 0 HG21 THR A 69 10.492 -9.735 -11.839 1.00 11.34 H new ATOM 0 HG22 THR A 69 10.634 -9.621 -13.609 1.00 11.34 H new ATOM 0 HG23 THR A 69 11.357 -10.999 -12.745 1.00 11.34 H new ATOM 1037 N PRO A 70 14.607 -7.277 -13.792 1.00 64.43 N ATOM 1038 CA PRO A 70 15.828 -6.507 -13.467 1.00 25.24 C ATOM 1039 C PRO A 70 16.208 -6.527 -11.992 1.00 23.11 C ATOM 1040 O PRO A 70 17.370 -6.508 -11.685 1.00 24.35 O ATOM 1041 CB PRO A 70 15.473 -5.055 -13.933 1.00 32.15 C ATOM 1042 CG PRO A 70 14.445 -5.332 -14.973 1.00 32.45 C ATOM 1043 CD PRO A 70 13.613 -6.443 -14.467 1.00 14.11 C ATOM 0 HA PRO A 70 16.702 -6.936 -13.958 1.00 25.24 H new ATOM 0 HB2 PRO A 70 15.082 -4.445 -13.119 1.00 32.15 H new ATOM 0 HB3 PRO A 70 16.338 -4.529 -14.338 1.00 32.15 H new ATOM 0 HG2 PRO A 70 13.836 -4.447 -15.160 1.00 32.45 H new ATOM 0 HG3 PRO A 70 14.915 -5.601 -15.919 1.00 32.45 H new ATOM 0 HD2 PRO A 70 12.839 -6.095 -13.783 1.00 14.11 H new ATOM 0 HD3 PRO A 70 13.110 -6.977 -15.273 1.00 14.11 H new ATOM 1051 N ALA A 71 15.203 -6.570 -11.124 1.00 41.21 N ATOM 1052 CA ALA A 71 15.443 -6.525 -9.734 1.00 50.45 C ATOM 1053 C ALA A 71 16.234 -7.750 -9.232 1.00 54.51 C ATOM 1054 O ALA A 71 17.017 -7.689 -8.288 1.00 53.22 O ATOM 1055 CB ALA A 71 14.101 -6.425 -8.975 1.00 1.24 C ATOM 0 H ALA A 71 14.219 -6.636 -11.386 1.00 41.21 H new ATOM 0 HA ALA A 71 16.052 -5.642 -9.539 1.00 50.45 H new ATOM 0 HB1 ALA A 71 14.291 -6.391 -7.902 1.00 1.24 H new ATOM 0 HB2 ALA A 71 13.577 -5.519 -9.280 1.00 1.24 H new ATOM 0 HB3 ALA A 71 13.486 -7.295 -9.207 1.00 1.24 H new ATOM 1061 N GLY A 72 16.105 -8.825 -9.976 1.00 71.51 N ATOM 1062 CA GLY A 72 16.809 -10.042 -9.648 1.00 3.04 C ATOM 1063 C GLY A 72 18.234 -9.926 -10.129 1.00 15.11 C ATOM 1064 O GLY A 72 19.148 -10.355 -9.490 1.00 71.12 O ATOM 0 H GLY A 72 15.521 -8.881 -10.810 1.00 71.51 H new ATOM 0 HA2 GLY A 72 16.787 -10.212 -8.572 1.00 3.04 H new ATOM 0 HA3 GLY A 72 16.322 -10.897 -10.116 1.00 3.04 H new ATOM 1068 N VAL A 73 18.412 -9.318 -11.287 1.00 55.13 N ATOM 1069 CA VAL A 73 19.749 -9.168 -11.837 1.00 21.44 C ATOM 1070 C VAL A 73 20.572 -8.189 -10.996 1.00 62.23 C ATOM 1071 O VAL A 73 21.722 -8.476 -10.691 1.00 41.14 O ATOM 1072 CB VAL A 73 19.702 -8.691 -13.321 1.00 45.15 C ATOM 1073 CG1 VAL A 73 21.108 -8.660 -13.920 1.00 60.10 C ATOM 1074 CG2 VAL A 73 18.854 -9.640 -14.159 1.00 23.25 C ATOM 0 H VAL A 73 17.663 -8.926 -11.858 1.00 55.13 H new ATOM 0 HA VAL A 73 20.228 -10.147 -11.809 1.00 21.44 H new ATOM 0 HB VAL A 73 19.269 -7.691 -13.332 1.00 45.15 H new ATOM 0 HG11 VAL A 73 21.055 -8.325 -14.956 1.00 60.10 H new ATOM 0 HG12 VAL A 73 21.732 -7.973 -13.348 1.00 60.10 H new ATOM 0 HG13 VAL A 73 21.541 -9.660 -13.884 1.00 60.10 H new ATOM 0 HG21 VAL A 73 18.832 -9.292 -15.192 1.00 23.25 H new ATOM 0 HG22 VAL A 73 19.284 -10.641 -14.122 1.00 23.25 H new ATOM 0 HG23 VAL A 73 17.839 -9.666 -13.763 1.00 23.25 H new ATOM 1084 N ALA A 74 19.986 -7.086 -10.537 1.00 52.32 N ATOM 1085 CA ALA A 74 20.744 -6.084 -9.774 1.00 45.43 C ATOM 1086 C ALA A 74 21.330 -6.661 -8.487 1.00 51.21 C ATOM 1087 O ALA A 74 22.512 -6.480 -8.198 1.00 11.52 O ATOM 1088 CB ALA A 74 19.845 -4.887 -9.411 1.00 23.31 C ATOM 0 H ALA A 74 19.001 -6.860 -10.675 1.00 52.32 H new ATOM 0 HA ALA A 74 21.564 -5.760 -10.415 1.00 45.43 H new ATOM 0 HB1 ALA A 74 20.423 -4.156 -8.846 1.00 23.31 H new ATOM 0 HB2 ALA A 74 19.468 -4.425 -10.324 1.00 23.31 H new ATOM 0 HB3 ALA A 74 19.007 -5.232 -8.806 1.00 23.31 H new ATOM 1094 N ARG A 75 20.522 -7.402 -7.752 1.00 52.40 N ATOM 1095 CA ARG A 75 20.994 -8.010 -6.498 1.00 42.25 C ATOM 1096 C ARG A 75 22.032 -9.084 -6.785 1.00 52.14 C ATOM 1097 O ARG A 75 22.973 -9.270 -6.008 1.00 62.41 O ATOM 1098 CB ARG A 75 19.824 -8.550 -5.648 1.00 54.42 C ATOM 1099 CG ARG A 75 19.046 -9.688 -6.251 1.00 63.15 C ATOM 1100 CD ARG A 75 17.761 -9.902 -5.480 1.00 20.32 C ATOM 1101 NE ARG A 75 18.016 -10.388 -4.110 1.00 35.24 N ATOM 1102 CZ ARG A 75 17.230 -10.185 -3.072 1.00 3.12 C ATOM 1103 NH1 ARG A 75 16.097 -9.523 -3.158 1.00 23.52 N ATOM 1104 NH2 ARG A 75 17.597 -10.648 -1.916 1.00 60.31 N ATOM 0 H ARG A 75 19.550 -7.602 -7.986 1.00 52.40 H new ATOM 0 HA ARG A 75 21.474 -7.232 -5.904 1.00 42.25 H new ATOM 0 HB2 ARG A 75 20.219 -8.875 -4.685 1.00 54.42 H new ATOM 0 HB3 ARG A 75 19.135 -7.729 -5.449 1.00 54.42 H new ATOM 0 HG2 ARG A 75 18.821 -9.473 -7.296 1.00 63.15 H new ATOM 0 HG3 ARG A 75 19.645 -10.598 -6.235 1.00 63.15 H new ATOM 0 HD2 ARG A 75 17.204 -8.966 -5.435 1.00 20.32 H new ATOM 0 HD3 ARG A 75 17.135 -10.620 -6.010 1.00 20.32 H new ATOM 0 HE ARG A 75 18.870 -10.924 -3.954 1.00 35.24 H new ATOM 0 HH11 ARG A 75 15.795 -9.143 -4.055 1.00 23.52 H new ATOM 0 HH12 ARG A 75 15.520 -9.390 -2.328 1.00 23.52 H new ATOM 0 HH21 ARG A 75 18.477 -11.156 -1.826 1.00 60.31 H new ATOM 0 HH22 ARG A 75 17.006 -10.504 -1.098 1.00 60.31 H new