USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=11 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 USER MOD Single : A 13 LYS NZ :NH3+ -132:sc= 0.814 (180deg=-0.516) USER MOD Single : A 16 CYS SG : rot 73:sc= 0.0777 USER MOD Single : A 19 TYR OH : rot -164:sc= 0.107 USER MOD Single : A 35 HIS : no HE2:sc= 0.125 K(o=0.13,f=-0.53) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.00035 USER MOD Single : A 45 MET CE :methyl 177:sc= 0 (180deg=-0.0178) USER MOD Single : A 63 GLN : amide:sc=-0.000363 K(o=-0.00036,f=-1.6) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 84:sc= 0.714 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0122 USER MOD ----------------------------------------------------------------- ATOM 117 N ALA A 10 14.840 3.819 -7.779 1.00 0.00 N ATOM 118 CA ALA A 10 16.093 4.254 -8.381 1.00 0.00 C ATOM 119 C ALA A 10 16.864 3.212 -9.189 1.00 0.00 C ATOM 120 O ALA A 10 17.327 3.511 -10.295 1.00 0.00 O ATOM 121 CB ALA A 10 16.989 4.825 -7.323 1.00 0.00 C ATOM 0 HA ALA A 10 15.792 5.001 -9.115 1.00 0.00 H new ATOM 0 HB1 ALA A 10 17.926 5.150 -7.776 1.00 0.00 H new ATOM 0 HB2 ALA A 10 16.499 5.677 -6.852 1.00 0.00 H new ATOM 0 HB3 ALA A 10 17.195 4.064 -6.571 1.00 0.00 H new ATOM 127 N THR A 11 17.061 2.021 -8.656 1.00 0.00 N ATOM 128 CA THR A 11 17.787 0.945 -9.421 1.00 0.00 C ATOM 129 C THR A 11 16.853 0.389 -10.486 1.00 0.00 C ATOM 130 O THR A 11 17.280 -0.020 -11.530 1.00 0.00 O ATOM 131 CB THR A 11 18.276 -0.166 -8.555 1.00 0.00 C ATOM 132 OG1 THR A 11 18.633 0.362 -7.261 1.00 0.00 O ATOM 133 CG2 THR A 11 19.482 -0.815 -9.177 1.00 0.00 C ATOM 0 H THR A 11 16.750 1.748 -7.724 1.00 0.00 H new ATOM 0 HA THR A 11 18.670 1.401 -9.868 1.00 0.00 H new ATOM 0 HB THR A 11 17.486 -0.910 -8.449 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.953 -0.366 -6.688 1.00 0.00 H new ATOM 0 HG21 THR A 11 19.831 -1.625 -8.536 1.00 0.00 H new ATOM 0 HG22 THR A 11 19.216 -1.215 -10.155 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.275 -0.076 -9.291 1.00 0.00 H new ATOM 141 N GLU A 12 15.569 0.346 -10.177 1.00 0.00 N ATOM 142 CA GLU A 12 14.624 -0.309 -11.074 1.00 0.00 C ATOM 143 C GLU A 12 14.586 0.421 -12.418 1.00 0.00 C ATOM 144 O GLU A 12 14.484 -0.226 -13.478 1.00 0.00 O ATOM 145 CB GLU A 12 13.238 -0.303 -10.472 1.00 0.00 C ATOM 146 CG GLU A 12 13.206 -0.960 -9.154 1.00 0.00 C ATOM 147 CD GLU A 12 11.817 -0.952 -8.517 1.00 0.00 C ATOM 148 OE1 GLU A 12 10.975 -0.153 -8.948 1.00 0.00 O ATOM 149 OE2 GLU A 12 11.602 -1.694 -7.521 1.00 0.00 O ATOM 0 H GLU A 12 15.160 0.746 -9.332 1.00 0.00 H new ATOM 0 HA GLU A 12 14.949 -1.339 -11.223 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.890 0.725 -10.373 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.548 -0.810 -11.146 1.00 0.00 H new ATOM 0 HG2 GLU A 12 13.546 -1.990 -9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 12 13.908 -0.460 -8.487 1.00 0.00 H new ATOM 156 N LYS A 13 14.808 1.727 -12.403 1.00 0.00 N ATOM 157 CA LYS A 13 14.818 2.472 -13.685 1.00 0.00 C ATOM 158 C LYS A 13 15.987 2.093 -14.557 1.00 0.00 C ATOM 159 O LYS A 13 15.898 2.169 -15.787 1.00 0.00 O ATOM 160 CB LYS A 13 14.806 3.979 -13.382 1.00 0.00 C ATOM 161 CG LYS A 13 16.161 4.586 -13.174 1.00 0.00 C ATOM 162 CD LYS A 13 16.052 5.904 -12.430 1.00 0.00 C ATOM 163 CE LYS A 13 17.392 6.637 -12.397 1.00 0.00 C ATOM 164 NZ LYS A 13 18.456 5.813 -11.727 1.00 0.00 N ATOM 0 H LYS A 13 14.978 2.286 -11.567 1.00 0.00 H new ATOM 0 HA LYS A 13 13.925 2.207 -14.251 1.00 0.00 H new ATOM 0 HB2 LYS A 13 14.313 4.497 -14.204 1.00 0.00 H new ATOM 0 HB3 LYS A 13 14.204 4.152 -12.490 1.00 0.00 H new ATOM 0 HG2 LYS A 13 16.791 3.897 -12.612 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.645 4.746 -14.138 1.00 0.00 H new ATOM 0 HD2 LYS A 13 15.303 6.534 -12.910 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.710 5.721 -11.411 1.00 0.00 H new ATOM 0 HE2 LYS A 13 17.702 6.876 -13.414 1.00 0.00 H new ATOM 0 HE3 LYS A 13 17.277 7.583 -11.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 18.960 6.397 -11.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 18.016 5.003 -11.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 19.129 5.468 -12.441 1.00 0.00 H new ATOM 178 N VAL A 14 17.115 1.742 -13.961 1.00 0.00 N ATOM 179 CA VAL A 14 18.311 1.411 -14.726 1.00 0.00 C ATOM 180 C VAL A 14 18.064 0.042 -15.342 1.00 0.00 C ATOM 181 O VAL A 14 18.445 -0.216 -16.468 1.00 0.00 O ATOM 182 CB VAL A 14 19.655 1.442 -13.876 1.00 0.00 C ATOM 183 CG1 VAL A 14 19.591 2.510 -12.764 1.00 0.00 C ATOM 184 CG2 VAL A 14 20.001 0.113 -13.246 1.00 0.00 C ATOM 0 H VAL A 14 17.230 1.678 -12.949 1.00 0.00 H new ATOM 0 HA VAL A 14 18.472 2.173 -15.489 1.00 0.00 H new ATOM 0 HB VAL A 14 20.437 1.688 -14.594 1.00 0.00 H new ATOM 0 HG11 VAL A 14 20.525 2.506 -12.201 1.00 0.00 H new ATOM 0 HG12 VAL A 14 19.441 3.493 -13.211 1.00 0.00 H new ATOM 0 HG13 VAL A 14 18.762 2.287 -12.093 1.00 0.00 H new ATOM 0 HG21 VAL A 14 20.929 0.208 -12.682 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.198 -0.192 -12.575 1.00 0.00 H new ATOM 0 HG23 VAL A 14 20.126 -0.638 -14.026 1.00 0.00 H new ATOM 194 N LEU A 15 17.367 -0.816 -14.617 1.00 0.00 N ATOM 195 CA LEU A 15 17.106 -2.169 -15.056 1.00 0.00 C ATOM 196 C LEU A 15 16.077 -2.145 -16.171 1.00 0.00 C ATOM 197 O LEU A 15 16.257 -2.811 -17.174 1.00 0.00 O ATOM 198 CB LEU A 15 16.607 -2.985 -13.881 1.00 0.00 C ATOM 199 CG LEU A 15 17.629 -3.146 -12.770 1.00 0.00 C ATOM 200 CD1 LEU A 15 16.914 -3.516 -11.528 1.00 0.00 C ATOM 201 CD2 LEU A 15 18.673 -4.173 -13.092 1.00 0.00 C ATOM 0 H LEU A 15 16.967 -0.590 -13.706 1.00 0.00 H new ATOM 0 HA LEU A 15 18.020 -2.625 -15.436 1.00 0.00 H new ATOM 0 HB2 LEU A 15 15.714 -2.511 -13.474 1.00 0.00 H new ATOM 0 HB3 LEU A 15 16.311 -3.972 -14.236 1.00 0.00 H new ATOM 0 HG LEU A 15 18.155 -2.199 -12.647 1.00 0.00 H new ATOM 0 HD11 LEU A 15 17.632 -3.636 -10.717 1.00 0.00 H new ATOM 0 HD12 LEU A 15 16.203 -2.731 -11.270 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.379 -4.453 -11.681 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.378 -4.247 -12.264 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.196 -5.140 -13.250 1.00 0.00 H new ATOM 0 HD23 LEU A 15 19.206 -3.879 -13.996 1.00 0.00 H new ATOM 213 N CYS A 16 15.058 -1.307 -16.049 1.00 0.00 N ATOM 214 CA CYS A 16 14.132 -1.108 -17.146 1.00 0.00 C ATOM 215 C CYS A 16 14.857 -0.673 -18.435 1.00 0.00 C ATOM 216 O CYS A 16 14.452 -1.069 -19.547 1.00 0.00 O ATOM 217 CB CYS A 16 13.139 0.038 -16.790 1.00 0.00 C ATOM 218 SG CYS A 16 11.947 -0.453 -15.496 1.00 0.00 S ATOM 0 H CYS A 16 14.856 -0.762 -15.211 1.00 0.00 H new ATOM 0 HA CYS A 16 13.623 -2.058 -17.307 1.00 0.00 H new ATOM 0 HB2 CYS A 16 13.700 0.909 -16.452 1.00 0.00 H new ATOM 0 HB3 CYS A 16 12.596 0.336 -17.687 1.00 0.00 H new ATOM 0 HG CYS A 16 12.554 -0.515 -14.348 1.00 0.00 H new ATOM 224 N ALA A 17 15.897 0.129 -18.289 1.00 0.00 N ATOM 225 CA ALA A 17 16.602 0.598 -19.486 1.00 0.00 C ATOM 226 C ALA A 17 17.418 -0.534 -20.085 1.00 0.00 C ATOM 227 O ALA A 17 17.409 -0.772 -21.278 1.00 0.00 O ATOM 228 CB ALA A 17 17.541 1.786 -19.092 1.00 0.00 C ATOM 0 H ALA A 17 16.266 0.462 -17.398 1.00 0.00 H new ATOM 0 HA ALA A 17 15.879 0.935 -20.228 1.00 0.00 H new ATOM 0 HB1 ALA A 17 18.069 2.141 -19.977 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.945 2.598 -18.675 1.00 0.00 H new ATOM 0 HB3 ALA A 17 18.264 1.448 -18.349 1.00 0.00 H new ATOM 234 N LEU A 18 18.053 -1.263 -19.214 1.00 0.00 N ATOM 235 CA LEU A 18 18.843 -2.378 -19.587 1.00 0.00 C ATOM 236 C LEU A 18 18.011 -3.520 -20.237 1.00 0.00 C ATOM 237 O LEU A 18 18.440 -4.199 -21.196 1.00 0.00 O ATOM 238 CB LEU A 18 19.517 -2.923 -18.316 1.00 0.00 C ATOM 239 CG LEU A 18 21.032 -2.659 -18.092 1.00 0.00 C ATOM 240 CD1 LEU A 18 21.897 -2.486 -19.354 1.00 0.00 C ATOM 241 CD2 LEU A 18 21.232 -1.552 -17.165 1.00 0.00 C ATOM 0 H LEU A 18 18.030 -1.088 -18.209 1.00 0.00 H new ATOM 0 HA LEU A 18 19.567 -2.045 -20.330 1.00 0.00 H new ATOM 0 HB2 LEU A 18 18.982 -2.514 -17.459 1.00 0.00 H new ATOM 0 HB3 LEU A 18 19.366 -4.002 -18.301 1.00 0.00 H new ATOM 0 HG LEU A 18 21.398 -3.589 -17.657 1.00 0.00 H new ATOM 0 HD11 LEU A 18 22.932 -2.308 -19.064 1.00 0.00 H new ATOM 0 HD12 LEU A 18 21.841 -3.390 -19.960 1.00 0.00 H new ATOM 0 HD13 LEU A 18 21.531 -1.638 -19.932 1.00 0.00 H new ATOM 0 HD21 LEU A 18 22.300 -1.385 -17.023 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.774 -0.650 -17.571 1.00 0.00 H new ATOM 0 HD23 LEU A 18 20.772 -1.792 -16.207 1.00 0.00 H new ATOM 253 N TYR A 19 16.770 -3.678 -19.786 1.00 0.00 N ATOM 254 CA TYR A 19 15.842 -4.649 -20.378 1.00 0.00 C ATOM 255 C TYR A 19 15.513 -4.158 -21.788 1.00 0.00 C ATOM 256 O TYR A 19 15.565 -4.933 -22.734 1.00 0.00 O ATOM 257 CB TYR A 19 14.538 -4.722 -19.564 1.00 0.00 C ATOM 258 CG TYR A 19 14.526 -5.613 -18.323 1.00 0.00 C ATOM 259 CD1 TYR A 19 15.652 -5.740 -17.470 1.00 0.00 C ATOM 260 CD2 TYR A 19 13.350 -6.318 -17.976 1.00 0.00 C ATOM 261 CE1 TYR A 19 15.586 -6.547 -16.298 1.00 0.00 C ATOM 262 CE2 TYR A 19 13.296 -7.126 -16.811 1.00 0.00 C ATOM 263 CZ TYR A 19 14.407 -7.229 -15.986 1.00 0.00 C ATOM 264 OH TYR A 19 14.332 -8.008 -14.859 1.00 0.00 O ATOM 0 H TYR A 19 16.378 -3.146 -19.009 1.00 0.00 H new ATOM 0 HA TYR A 19 16.298 -5.639 -20.389 1.00 0.00 H new ATOM 0 HB2 TYR A 19 14.279 -3.710 -19.253 1.00 0.00 H new ATOM 0 HB3 TYR A 19 13.745 -5.063 -20.230 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.568 -5.220 -17.711 1.00 0.00 H new ATOM 0 HD2 TYR A 19 12.478 -6.240 -18.609 1.00 0.00 H new ATOM 0 HE1 TYR A 19 16.447 -6.632 -15.651 1.00 0.00 H new ATOM 0 HE2 TYR A 19 12.390 -7.661 -16.566 1.00 0.00 H new ATOM 0 HH TYR A 19 13.555 -8.602 -14.923 1.00 0.00 H new ATOM 274 N ALA A 20 15.156 -2.880 -21.905 1.00 0.00 N ATOM 275 CA ALA A 20 14.771 -2.307 -23.192 1.00 0.00 C ATOM 276 C ALA A 20 15.872 -2.383 -24.240 1.00 0.00 C ATOM 277 O ALA A 20 15.591 -2.610 -25.407 1.00 0.00 O ATOM 278 CB ALA A 20 14.340 -0.846 -22.986 1.00 0.00 C ATOM 0 H ALA A 20 15.126 -2.223 -21.125 1.00 0.00 H new ATOM 0 HA ALA A 20 13.943 -2.903 -23.575 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.051 -0.413 -23.944 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.493 -0.810 -22.301 1.00 0.00 H new ATOM 0 HB3 ALA A 20 15.170 -0.278 -22.566 1.00 0.00 H new ATOM 284 N GLU A 21 17.109 -2.208 -23.823 1.00 0.00 N ATOM 285 CA GLU A 21 18.255 -2.244 -24.737 1.00 0.00 C ATOM 286 C GLU A 21 18.372 -3.601 -25.425 1.00 0.00 C ATOM 287 O GLU A 21 18.727 -3.705 -26.594 1.00 0.00 O ATOM 288 CB GLU A 21 19.554 -1.982 -23.960 1.00 0.00 C ATOM 289 CG GLU A 21 19.810 -0.517 -23.645 1.00 0.00 C ATOM 290 CD GLU A 21 20.803 0.111 -24.608 1.00 0.00 C ATOM 291 OE1 GLU A 21 21.987 -0.316 -24.600 1.00 0.00 O ATOM 292 OE2 GLU A 21 20.418 1.034 -25.355 1.00 0.00 O ATOM 0 H GLU A 21 17.358 -2.037 -22.849 1.00 0.00 H new ATOM 0 HA GLU A 21 18.099 -1.472 -25.491 1.00 0.00 H new ATOM 0 HB2 GLU A 21 19.524 -2.543 -23.026 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.393 -2.369 -24.537 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.869 0.032 -23.687 1.00 0.00 H new ATOM 0 HG3 GLU A 21 20.187 -0.426 -22.626 1.00 0.00 H new ATOM 299 N ILE A 22 18.084 -4.650 -24.676 1.00 0.00 N ATOM 300 CA ILE A 22 18.180 -6.011 -25.193 1.00 0.00 C ATOM 301 C ILE A 22 16.917 -6.387 -25.972 1.00 0.00 C ATOM 302 O ILE A 22 16.980 -7.105 -26.973 1.00 0.00 O ATOM 303 CB ILE A 22 18.401 -7.004 -24.020 1.00 0.00 C ATOM 304 CG1 ILE A 22 19.759 -6.707 -23.353 1.00 0.00 C ATOM 305 CG2 ILE A 22 18.370 -8.480 -24.514 1.00 0.00 C ATOM 306 CD1 ILE A 22 20.051 -7.537 -22.127 1.00 0.00 C ATOM 0 H ILE A 22 17.780 -4.589 -23.704 1.00 0.00 H new ATOM 0 HA ILE A 22 19.029 -6.065 -25.875 1.00 0.00 H new ATOM 0 HB ILE A 22 17.593 -6.874 -23.300 1.00 0.00 H new ATOM 0 HG12 ILE A 22 20.551 -6.870 -24.084 1.00 0.00 H new ATOM 0 HG13 ILE A 22 19.791 -5.653 -23.078 1.00 0.00 H new ATOM 0 HG21 ILE A 22 18.528 -9.150 -23.669 1.00 0.00 H new ATOM 0 HG22 ILE A 22 17.402 -8.691 -24.969 1.00 0.00 H new ATOM 0 HG23 ILE A 22 19.158 -8.634 -25.251 1.00 0.00 H new ATOM 0 HD11 ILE A 22 21.026 -7.261 -21.724 1.00 0.00 H new ATOM 0 HD12 ILE A 22 19.283 -7.357 -21.374 1.00 0.00 H new ATOM 0 HD13 ILE A 22 20.055 -8.593 -22.395 1.00 0.00 H new ATOM 318 N LEU A 23 15.771 -5.938 -25.484 1.00 0.00 N ATOM 319 CA LEU A 23 14.486 -6.315 -26.072 1.00 0.00 C ATOM 320 C LEU A 23 14.092 -5.473 -27.285 1.00 0.00 C ATOM 321 O LEU A 23 13.245 -5.887 -28.066 1.00 0.00 O ATOM 322 CB LEU A 23 13.387 -6.222 -25.006 1.00 0.00 C ATOM 323 CG LEU A 23 13.101 -7.485 -24.167 1.00 0.00 C ATOM 324 CD1 LEU A 23 12.494 -8.563 -25.049 1.00 0.00 C ATOM 325 CD2 LEU A 23 14.322 -8.058 -23.441 1.00 0.00 C ATOM 0 H LEU A 23 15.700 -5.312 -24.682 1.00 0.00 H new ATOM 0 HA LEU A 23 14.599 -7.339 -26.429 1.00 0.00 H new ATOM 0 HB2 LEU A 23 13.650 -5.416 -24.321 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.461 -5.930 -25.502 1.00 0.00 H new ATOM 0 HG LEU A 23 12.405 -7.168 -23.390 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.294 -9.452 -24.451 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.562 -8.198 -25.480 1.00 0.00 H new ATOM 0 HD13 LEU A 23 13.190 -8.813 -25.850 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.028 -8.943 -22.877 1.00 0.00 H new ATOM 0 HD22 LEU A 23 15.085 -8.330 -24.171 1.00 0.00 H new ATOM 0 HD23 LEU A 23 14.724 -7.309 -22.758 1.00 0.00 H new ATOM 337 N GLY A 24 14.707 -4.310 -27.445 1.00 0.00 N ATOM 338 CA GLY A 24 14.407 -3.457 -28.586 1.00 0.00 C ATOM 339 C GLY A 24 13.084 -2.719 -28.454 1.00 0.00 C ATOM 340 O GLY A 24 12.398 -2.512 -29.448 1.00 0.00 O ATOM 0 H GLY A 24 15.410 -3.938 -26.806 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.210 -2.730 -28.708 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.387 -4.065 -29.490 1.00 0.00 H new ATOM 344 N VAL A 25 12.717 -2.327 -27.240 1.00 0.00 N ATOM 345 CA VAL A 25 11.449 -1.635 -27.000 1.00 0.00 C ATOM 346 C VAL A 25 11.622 -0.178 -26.621 1.00 0.00 C ATOM 347 O VAL A 25 12.684 0.250 -26.162 1.00 0.00 O ATOM 348 CB VAL A 25 10.635 -2.299 -25.835 1.00 0.00 C ATOM 349 CG1 VAL A 25 10.273 -3.685 -26.154 1.00 0.00 C ATOM 350 CG2 VAL A 25 11.362 -2.269 -24.535 1.00 0.00 C ATOM 0 H VAL A 25 13.279 -2.475 -26.402 1.00 0.00 H new ATOM 0 HA VAL A 25 10.920 -1.710 -27.950 1.00 0.00 H new ATOM 0 HB VAL A 25 9.729 -1.702 -25.731 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.710 -4.114 -25.325 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.661 -3.703 -27.056 1.00 0.00 H new ATOM 0 HG13 VAL A 25 11.179 -4.269 -26.318 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.751 -2.742 -23.766 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.304 -2.808 -24.633 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.563 -1.235 -24.254 1.00 0.00 H new ATOM 360 N GLU A 26 10.526 0.555 -26.729 1.00 0.00 N ATOM 361 CA GLU A 26 10.470 1.950 -26.328 1.00 0.00 C ATOM 362 C GLU A 26 10.589 2.096 -24.815 1.00 0.00 C ATOM 363 O GLU A 26 11.177 3.072 -24.323 1.00 0.00 O ATOM 364 CB GLU A 26 9.114 2.516 -26.736 1.00 0.00 C ATOM 365 CG GLU A 26 8.799 2.412 -28.231 1.00 0.00 C ATOM 366 CD GLU A 26 7.826 1.263 -28.507 1.00 0.00 C ATOM 367 OE1 GLU A 26 8.110 0.116 -28.078 1.00 0.00 O ATOM 368 OE2 GLU A 26 6.772 1.513 -29.122 1.00 0.00 O ATOM 0 H GLU A 26 9.646 0.196 -27.099 1.00 0.00 H new ATOM 0 HA GLU A 26 11.295 2.477 -26.807 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.336 1.995 -26.178 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.070 3.565 -26.442 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.369 3.350 -28.582 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.721 2.255 -28.791 1.00 0.00 H new ATOM 375 N ARG A 27 10.019 1.150 -24.068 1.00 0.00 N ATOM 376 CA ARG A 27 10.000 1.244 -22.602 1.00 0.00 C ATOM 377 C ARG A 27 9.661 -0.079 -21.949 1.00 0.00 C ATOM 378 O ARG A 27 8.988 -0.915 -22.534 1.00 0.00 O ATOM 379 CB ARG A 27 8.965 2.292 -22.153 1.00 0.00 C ATOM 380 CG ARG A 27 9.558 3.426 -21.322 1.00 0.00 C ATOM 381 CD ARG A 27 9.573 3.102 -19.826 1.00 0.00 C ATOM 382 NE ARG A 27 10.775 3.641 -19.167 1.00 0.00 N ATOM 383 CZ ARG A 27 11.000 3.636 -17.856 1.00 0.00 C ATOM 384 NH1 ARG A 27 10.160 3.121 -16.998 1.00 0.00 N ATOM 385 NH2 ARG A 27 12.089 4.171 -17.390 1.00 0.00 N ATOM 0 H ARG A 27 9.568 0.317 -24.446 1.00 0.00 H new ATOM 0 HA ARG A 27 11.003 1.536 -22.290 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.483 2.714 -23.035 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.188 1.796 -21.572 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.575 3.627 -21.658 1.00 0.00 H new ATOM 0 HG3 ARG A 27 8.982 4.336 -21.489 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.682 3.516 -19.354 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.534 2.022 -19.687 1.00 0.00 H new ATOM 0 HE ARG A 27 11.493 4.051 -19.764 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.290 2.701 -17.325 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.374 3.139 -16.001 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.764 4.591 -18.028 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.268 4.171 -16.386 1.00 0.00 H new ATOM 399 N VAL A 28 10.090 -0.221 -20.705 1.00 0.00 N ATOM 400 CA VAL A 28 9.795 -1.389 -19.879 1.00 0.00 C ATOM 401 C VAL A 28 9.287 -0.867 -18.538 1.00 0.00 C ATOM 402 O VAL A 28 9.876 0.057 -17.968 1.00 0.00 O ATOM 403 CB VAL A 28 11.085 -2.237 -19.680 1.00 0.00 C ATOM 404 CG1 VAL A 28 10.880 -3.370 -18.703 1.00 0.00 C ATOM 405 CG2 VAL A 28 11.535 -2.803 -21.008 1.00 0.00 C ATOM 0 H VAL A 28 10.661 0.479 -20.231 1.00 0.00 H new ATOM 0 HA VAL A 28 9.048 -2.028 -20.351 1.00 0.00 H new ATOM 0 HB VAL A 28 11.847 -1.574 -19.270 1.00 0.00 H new ATOM 0 HG11 VAL A 28 11.808 -3.932 -18.598 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.589 -2.966 -17.733 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.095 -4.031 -19.071 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.438 -3.396 -20.864 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.748 -3.435 -21.420 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.743 -1.987 -21.700 1.00 0.00 H new ATOM 415 N GLY A 29 8.189 -1.423 -18.044 1.00 0.00 N ATOM 416 CA GLY A 29 7.667 -1.048 -16.742 1.00 0.00 C ATOM 417 C GLY A 29 8.341 -1.895 -15.687 1.00 0.00 C ATOM 418 O GLY A 29 8.935 -2.917 -15.998 1.00 0.00 O ATOM 0 H GLY A 29 7.644 -2.136 -18.528 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.851 0.009 -16.552 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.587 -1.195 -16.711 1.00 0.00 H new ATOM 422 N VAL A 30 8.261 -1.497 -14.428 1.00 0.00 N ATOM 423 CA VAL A 30 8.923 -2.260 -13.360 1.00 0.00 C ATOM 424 C VAL A 30 8.155 -3.532 -13.041 1.00 0.00 C ATOM 425 O VAL A 30 8.631 -4.402 -12.311 1.00 0.00 O ATOM 426 CB VAL A 30 9.119 -1.421 -12.076 1.00 0.00 C ATOM 427 CG1 VAL A 30 9.882 -0.171 -12.397 1.00 0.00 C ATOM 428 CG2 VAL A 30 7.782 -1.057 -11.422 1.00 0.00 C ATOM 0 H VAL A 30 7.757 -0.668 -14.115 1.00 0.00 H new ATOM 0 HA VAL A 30 9.911 -2.528 -13.734 1.00 0.00 H new ATOM 0 HB VAL A 30 9.682 -2.028 -11.367 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.017 0.416 -11.489 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.857 -0.435 -12.807 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.327 0.416 -13.129 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.965 -0.468 -10.523 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.181 -0.475 -12.121 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.247 -1.969 -11.155 1.00 0.00 H new ATOM 438 N ASP A 31 6.969 -3.626 -13.619 1.00 0.00 N ATOM 439 CA ASP A 31 6.076 -4.769 -13.478 1.00 0.00 C ATOM 440 C ASP A 31 6.074 -5.667 -14.699 1.00 0.00 C ATOM 441 O ASP A 31 5.465 -6.720 -14.718 1.00 0.00 O ATOM 442 CB ASP A 31 4.654 -4.273 -13.179 1.00 0.00 C ATOM 443 CG ASP A 31 4.098 -3.320 -14.247 1.00 0.00 C ATOM 444 OD1 ASP A 31 4.749 -2.291 -14.536 1.00 0.00 O ATOM 445 OD2 ASP A 31 2.940 -3.520 -14.675 1.00 0.00 O ATOM 0 H ASP A 31 6.589 -2.891 -14.215 1.00 0.00 H new ATOM 0 HA ASP A 31 6.445 -5.372 -12.649 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.990 -5.133 -13.090 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.650 -3.766 -12.214 1.00 0.00 H new ATOM 450 N ASP A 32 6.825 -5.285 -15.717 1.00 0.00 N ATOM 451 CA ASP A 32 6.996 -6.124 -16.914 1.00 0.00 C ATOM 452 C ASP A 32 8.081 -7.137 -16.650 1.00 0.00 C ATOM 453 O ASP A 32 9.211 -6.755 -16.316 1.00 0.00 O ATOM 454 CB ASP A 32 7.402 -5.284 -18.136 1.00 0.00 C ATOM 455 CG ASP A 32 6.251 -4.565 -18.758 1.00 0.00 C ATOM 456 OD1 ASP A 32 5.179 -5.190 -18.982 1.00 0.00 O ATOM 457 OD2 ASP A 32 6.443 -3.401 -19.128 1.00 0.00 O ATOM 0 H ASP A 32 7.331 -4.400 -15.749 1.00 0.00 H new ATOM 0 HA ASP A 32 6.045 -6.612 -17.126 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.158 -4.558 -17.836 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.862 -5.934 -18.880 1.00 0.00 H new ATOM 462 N ALA A 33 7.755 -8.413 -16.774 1.00 0.00 N ATOM 463 CA ALA A 33 8.751 -9.431 -16.600 1.00 0.00 C ATOM 464 C ALA A 33 9.596 -9.492 -17.866 1.00 0.00 C ATOM 465 O ALA A 33 9.089 -9.274 -18.952 1.00 0.00 O ATOM 466 CB ALA A 33 8.061 -10.764 -16.303 1.00 0.00 C ATOM 0 H ALA A 33 6.819 -8.755 -16.992 1.00 0.00 H new ATOM 0 HA ALA A 33 9.406 -9.207 -15.758 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.813 -11.541 -16.170 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.469 -10.672 -15.392 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.409 -11.029 -17.135 1.00 0.00 H new ATOM 472 N PHE A 34 10.851 -9.886 -17.724 1.00 0.00 N ATOM 473 CA PHE A 34 11.749 -10.034 -18.861 1.00 0.00 C ATOM 474 C PHE A 34 11.150 -11.021 -19.868 1.00 0.00 C ATOM 475 O PHE A 34 11.255 -10.843 -21.071 1.00 0.00 O ATOM 476 CB PHE A 34 13.110 -10.528 -18.359 1.00 0.00 C ATOM 477 CG PHE A 34 14.210 -10.428 -19.381 1.00 0.00 C ATOM 478 CD1 PHE A 34 14.944 -9.236 -19.521 1.00 0.00 C ATOM 479 CD2 PHE A 34 14.539 -11.530 -20.194 1.00 0.00 C ATOM 480 CE1 PHE A 34 15.990 -9.133 -20.467 1.00 0.00 C ATOM 481 CE2 PHE A 34 15.587 -11.440 -21.142 1.00 0.00 C ATOM 482 CZ PHE A 34 16.316 -10.235 -21.271 1.00 0.00 C ATOM 0 H PHE A 34 11.275 -10.111 -16.824 1.00 0.00 H new ATOM 0 HA PHE A 34 11.881 -9.075 -19.361 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.392 -9.951 -17.478 1.00 0.00 H new ATOM 0 HB3 PHE A 34 13.014 -11.567 -18.043 1.00 0.00 H new ATOM 0 HD1 PHE A 34 14.705 -8.387 -18.897 1.00 0.00 H new ATOM 0 HD2 PHE A 34 13.987 -12.453 -20.093 1.00 0.00 H new ATOM 0 HE1 PHE A 34 16.537 -8.207 -20.570 1.00 0.00 H new ATOM 0 HE2 PHE A 34 15.829 -12.289 -21.764 1.00 0.00 H new ATOM 0 HZ PHE A 34 17.122 -10.164 -21.987 1.00 0.00 H new ATOM 492 N HIS A 35 10.477 -12.041 -19.354 1.00 0.00 N ATOM 493 CA HIS A 35 9.814 -13.040 -20.193 1.00 0.00 C ATOM 494 C HIS A 35 8.502 -12.532 -20.809 1.00 0.00 C ATOM 495 O HIS A 35 8.138 -12.934 -21.902 1.00 0.00 O ATOM 496 CB HIS A 35 9.536 -14.293 -19.360 1.00 0.00 C ATOM 497 CG HIS A 35 8.948 -15.420 -20.149 1.00 0.00 C ATOM 498 ND1 HIS A 35 9.363 -15.787 -21.406 1.00 0.00 N ATOM 499 CD2 HIS A 35 7.933 -16.277 -19.849 1.00 0.00 C ATOM 500 CE1 HIS A 35 8.613 -16.807 -21.810 1.00 0.00 C ATOM 501 NE2 HIS A 35 7.729 -17.154 -20.895 1.00 0.00 N ATOM 0 H HIS A 35 10.373 -12.202 -18.352 1.00 0.00 H new ATOM 0 HA HIS A 35 10.487 -13.265 -21.020 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.467 -14.628 -18.902 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.856 -14.036 -18.548 1.00 0.00 H new ATOM 0 HD1 HIS A 35 10.117 -15.352 -21.938 1.00 0.00 H new ATOM 0 HD2 HIS A 35 7.370 -16.271 -18.927 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.715 -17.292 -22.770 1.00 0.00 H new ATOM 509 N ASP A 36 7.818 -11.623 -20.125 1.00 0.00 N ATOM 510 CA ASP A 36 6.548 -11.055 -20.611 1.00 0.00 C ATOM 511 C ASP A 36 6.814 -10.141 -21.810 1.00 0.00 C ATOM 512 O ASP A 36 5.960 -9.919 -22.658 1.00 0.00 O ATOM 513 CB ASP A 36 5.886 -10.266 -19.475 1.00 0.00 C ATOM 514 CG ASP A 36 4.467 -9.845 -19.792 1.00 0.00 C ATOM 515 OD1 ASP A 36 3.766 -10.536 -20.548 1.00 0.00 O ATOM 516 OD2 ASP A 36 4.039 -8.814 -19.232 1.00 0.00 O ATOM 0 H ASP A 36 8.118 -11.255 -19.222 1.00 0.00 H new ATOM 0 HA ASP A 36 5.881 -11.857 -20.928 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.884 -10.875 -18.571 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.482 -9.379 -19.261 1.00 0.00 H new ATOM 521 N LEU A 37 8.047 -9.665 -21.901 1.00 0.00 N ATOM 522 CA LEU A 37 8.498 -8.873 -23.043 1.00 0.00 C ATOM 523 C LEU A 37 8.926 -9.778 -24.208 1.00 0.00 C ATOM 524 O LEU A 37 9.333 -9.297 -25.255 1.00 0.00 O ATOM 525 CB LEU A 37 9.693 -8.011 -22.628 1.00 0.00 C ATOM 526 CG LEU A 37 9.447 -6.955 -21.543 1.00 0.00 C ATOM 527 CD1 LEU A 37 10.781 -6.510 -20.960 1.00 0.00 C ATOM 528 CD2 LEU A 37 8.704 -5.755 -22.119 1.00 0.00 C ATOM 0 H LEU A 37 8.763 -9.814 -21.190 1.00 0.00 H new ATOM 0 HA LEU A 37 7.668 -8.245 -23.368 1.00 0.00 H new ATOM 0 HB2 LEU A 37 10.485 -8.675 -22.281 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.069 -7.503 -23.516 1.00 0.00 H new ATOM 0 HG LEU A 37 8.832 -7.393 -20.757 1.00 0.00 H new ATOM 0 HD11 LEU A 37 10.609 -5.759 -20.189 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.292 -7.368 -20.524 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.399 -6.083 -21.750 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.539 -5.018 -21.333 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.297 -5.309 -22.917 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.743 -6.080 -22.519 1.00 0.00 H new ATOM 540 N GLY A 38 8.871 -11.089 -24.006 1.00 0.00 N ATOM 541 CA GLY A 38 9.311 -12.039 -25.021 1.00 0.00 C ATOM 542 C GLY A 38 10.753 -12.475 -24.835 1.00 0.00 C ATOM 543 O GLY A 38 11.292 -13.261 -25.619 1.00 0.00 O ATOM 0 H GLY A 38 8.526 -11.519 -23.148 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.665 -12.917 -24.995 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.197 -11.589 -26.007 1.00 0.00 H new ATOM 547 N GLY A 39 11.392 -11.979 -23.785 1.00 0.00 N ATOM 548 CA GLY A 39 12.775 -12.332 -23.519 1.00 0.00 C ATOM 549 C GLY A 39 12.936 -13.783 -23.101 1.00 0.00 C ATOM 550 O GLY A 39 12.010 -14.414 -22.577 1.00 0.00 O ATOM 0 H GLY A 39 10.977 -11.337 -23.110 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.372 -12.146 -24.412 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.167 -11.686 -22.734 1.00 0.00 H new ATOM 554 N SER A 40 14.129 -14.321 -23.324 1.00 0.00 N ATOM 555 CA SER A 40 14.428 -15.715 -22.997 1.00 0.00 C ATOM 556 C SER A 40 15.524 -15.783 -21.948 1.00 0.00 C ATOM 557 O SER A 40 16.259 -14.821 -21.756 1.00 0.00 O ATOM 558 CB SER A 40 14.885 -16.448 -24.256 1.00 0.00 C ATOM 559 OG SER A 40 13.873 -16.438 -25.242 1.00 0.00 O ATOM 0 H SER A 40 14.912 -13.811 -23.733 1.00 0.00 H new ATOM 0 HA SER A 40 13.528 -16.187 -22.603 1.00 0.00 H new ATOM 0 HB2 SER A 40 15.786 -15.977 -24.649 1.00 0.00 H new ATOM 0 HB3 SER A 40 15.146 -17.477 -24.008 1.00 0.00 H new ATOM 0 HG SER A 40 14.189 -16.912 -26.040 1.00 0.00 H new ATOM 565 N SER A 41 15.668 -16.934 -21.302 1.00 0.00 N ATOM 566 CA SER A 41 16.696 -17.126 -20.273 1.00 0.00 C ATOM 567 C SER A 41 18.110 -16.878 -20.802 1.00 0.00 C ATOM 568 O SER A 41 18.954 -16.353 -20.093 1.00 0.00 O ATOM 569 CB SER A 41 16.600 -18.551 -19.738 1.00 0.00 C ATOM 570 OG SER A 41 16.534 -19.465 -20.820 1.00 0.00 O ATOM 0 H SER A 41 15.086 -17.755 -21.470 1.00 0.00 H new ATOM 0 HA SER A 41 16.514 -16.398 -19.483 1.00 0.00 H new ATOM 0 HB2 SER A 41 17.465 -18.774 -19.113 1.00 0.00 H new ATOM 0 HB3 SER A 41 15.717 -18.654 -19.108 1.00 0.00 H new ATOM 0 HG SER A 41 16.474 -20.379 -20.473 1.00 0.00 H new ATOM 576 N ALA A 42 18.357 -17.211 -22.062 1.00 0.00 N ATOM 577 CA ALA A 42 19.667 -16.975 -22.675 1.00 0.00 C ATOM 578 C ALA A 42 19.967 -15.469 -22.744 1.00 0.00 C ATOM 579 O ALA A 42 21.100 -15.038 -22.536 1.00 0.00 O ATOM 580 CB ALA A 42 19.705 -17.589 -24.084 1.00 0.00 C ATOM 0 H ALA A 42 17.673 -17.644 -22.682 1.00 0.00 H new ATOM 0 HA ALA A 42 20.431 -17.450 -22.060 1.00 0.00 H new ATOM 0 HB1 ALA A 42 20.682 -17.409 -24.533 1.00 0.00 H new ATOM 0 HB2 ALA A 42 19.528 -18.662 -24.018 1.00 0.00 H new ATOM 0 HB3 ALA A 42 18.932 -17.131 -24.701 1.00 0.00 H new ATOM 586 N LEU A 43 18.950 -14.666 -23.034 1.00 0.00 N ATOM 587 CA LEU A 43 19.120 -13.212 -23.117 1.00 0.00 C ATOM 588 C LEU A 43 19.291 -12.670 -21.707 1.00 0.00 C ATOM 589 O LEU A 43 20.050 -11.735 -21.482 1.00 0.00 O ATOM 590 CB LEU A 43 17.909 -12.551 -23.792 1.00 0.00 C ATOM 591 CG LEU A 43 17.862 -12.503 -25.338 1.00 0.00 C ATOM 592 CD1 LEU A 43 17.872 -13.897 -25.981 1.00 0.00 C ATOM 593 CD2 LEU A 43 16.582 -11.774 -25.753 1.00 0.00 C ATOM 0 H LEU A 43 18.000 -14.991 -23.216 1.00 0.00 H new ATOM 0 HA LEU A 43 19.998 -12.985 -23.721 1.00 0.00 H new ATOM 0 HB2 LEU A 43 17.014 -13.070 -23.449 1.00 0.00 H new ATOM 0 HB3 LEU A 43 17.844 -11.526 -23.426 1.00 0.00 H new ATOM 0 HG LEU A 43 18.757 -11.985 -25.684 1.00 0.00 H new ATOM 0 HD11 LEU A 43 17.838 -13.798 -27.066 1.00 0.00 H new ATOM 0 HD12 LEU A 43 18.782 -14.424 -25.694 1.00 0.00 H new ATOM 0 HD13 LEU A 43 17.003 -14.461 -25.641 1.00 0.00 H new ATOM 0 HD21 LEU A 43 16.526 -11.727 -26.841 1.00 0.00 H new ATOM 0 HD22 LEU A 43 15.716 -12.312 -25.368 1.00 0.00 H new ATOM 0 HD23 LEU A 43 16.591 -10.763 -25.346 1.00 0.00 H new ATOM 605 N ALA A 44 18.624 -13.292 -20.745 1.00 0.00 N ATOM 606 CA ALA A 44 18.740 -12.893 -19.339 1.00 0.00 C ATOM 607 C ALA A 44 20.152 -13.111 -18.778 1.00 0.00 C ATOM 608 O ALA A 44 20.613 -12.364 -17.951 1.00 0.00 O ATOM 609 CB ALA A 44 17.713 -13.637 -18.487 1.00 0.00 C ATOM 0 H ALA A 44 17.994 -14.078 -20.908 1.00 0.00 H new ATOM 0 HA ALA A 44 18.540 -11.822 -19.296 1.00 0.00 H new ATOM 0 HB1 ALA A 44 17.812 -13.329 -17.446 1.00 0.00 H new ATOM 0 HB2 ALA A 44 16.709 -13.403 -18.840 1.00 0.00 H new ATOM 0 HB3 ALA A 44 17.884 -14.711 -18.566 1.00 0.00 H new ATOM 615 N MET A 45 20.882 -14.071 -19.308 1.00 0.00 N ATOM 616 CA MET A 45 22.290 -14.265 -18.930 1.00 0.00 C ATOM 617 C MET A 45 23.164 -13.125 -19.477 1.00 0.00 C ATOM 618 O MET A 45 24.119 -12.687 -18.831 1.00 0.00 O ATOM 619 CB MET A 45 22.820 -15.578 -19.482 1.00 0.00 C ATOM 620 CG MET A 45 22.097 -16.784 -18.897 1.00 0.00 C ATOM 621 SD MET A 45 22.705 -18.362 -19.541 1.00 0.00 S ATOM 622 CE MET A 45 24.362 -18.516 -18.836 1.00 0.00 C ATOM 0 H MET A 45 20.536 -14.734 -20.001 1.00 0.00 H new ATOM 0 HA MET A 45 22.335 -14.276 -17.841 1.00 0.00 H new ATOM 0 HB2 MET A 45 22.712 -15.584 -20.567 1.00 0.00 H new ATOM 0 HB3 MET A 45 23.886 -15.656 -19.267 1.00 0.00 H new ATOM 0 HG2 MET A 45 22.208 -16.775 -17.813 1.00 0.00 H new ATOM 0 HG3 MET A 45 21.031 -16.699 -19.109 1.00 0.00 H new ATOM 0 HE1 MET A 45 24.794 -19.473 -19.128 1.00 0.00 H new ATOM 0 HE2 MET A 45 24.991 -17.706 -19.205 1.00 0.00 H new ATOM 0 HE3 MET A 45 24.301 -18.462 -17.749 1.00 0.00 H new ATOM 632 N ARG A 46 22.832 -12.622 -20.664 1.00 0.00 N ATOM 633 CA ARG A 46 23.591 -11.512 -21.272 1.00 0.00 C ATOM 634 C ARG A 46 23.265 -10.203 -20.562 1.00 0.00 C ATOM 635 O ARG A 46 24.113 -9.321 -20.448 1.00 0.00 O ATOM 636 CB ARG A 46 23.275 -11.397 -22.764 1.00 0.00 C ATOM 637 CG ARG A 46 23.692 -12.630 -23.558 1.00 0.00 C ATOM 638 CD ARG A 46 23.413 -12.455 -25.041 1.00 0.00 C ATOM 639 NE ARG A 46 23.804 -13.657 -25.797 1.00 0.00 N ATOM 640 CZ ARG A 46 23.742 -13.786 -27.118 1.00 0.00 C ATOM 641 NH1 ARG A 46 23.303 -12.826 -27.895 1.00 0.00 N ATOM 642 NH2 ARG A 46 24.133 -14.904 -27.667 1.00 0.00 N ATOM 0 H ARG A 46 22.050 -12.957 -21.227 1.00 0.00 H new ATOM 0 HA ARG A 46 24.655 -11.719 -21.161 1.00 0.00 H new ATOM 0 HB2 ARG A 46 22.205 -11.234 -22.892 1.00 0.00 H new ATOM 0 HB3 ARG A 46 23.781 -10.521 -23.171 1.00 0.00 H new ATOM 0 HG2 ARG A 46 24.754 -12.820 -23.406 1.00 0.00 H new ATOM 0 HG3 ARG A 46 23.156 -13.503 -23.186 1.00 0.00 H new ATOM 0 HD2 ARG A 46 22.353 -12.254 -25.194 1.00 0.00 H new ATOM 0 HD3 ARG A 46 23.959 -11.590 -25.418 1.00 0.00 H new ATOM 0 HE ARG A 46 24.150 -14.455 -25.264 1.00 0.00 H new ATOM 0 HH11 ARG A 46 22.994 -11.943 -27.489 1.00 0.00 H new ATOM 0 HH12 ARG A 46 23.270 -12.962 -28.905 1.00 0.00 H new ATOM 0 HH21 ARG A 46 24.481 -15.665 -27.083 1.00 0.00 H new ATOM 0 HH22 ARG A 46 24.091 -15.017 -28.680 1.00 0.00 H new ATOM 656 N LEU A 47 22.048 -10.111 -20.046 1.00 0.00 N ATOM 657 CA LEU A 47 21.609 -8.966 -19.250 1.00 0.00 C ATOM 658 C LEU A 47 22.528 -8.756 -18.052 1.00 0.00 C ATOM 659 O LEU A 47 22.837 -7.626 -17.700 1.00 0.00 O ATOM 660 CB LEU A 47 20.183 -9.210 -18.776 1.00 0.00 C ATOM 661 CG LEU A 47 19.555 -8.175 -17.846 1.00 0.00 C ATOM 662 CD1 LEU A 47 19.348 -6.821 -18.499 1.00 0.00 C ATOM 663 CD2 LEU A 47 18.244 -8.735 -17.384 1.00 0.00 C ATOM 0 H LEU A 47 21.333 -10.828 -20.166 1.00 0.00 H new ATOM 0 HA LEU A 47 21.646 -8.068 -19.866 1.00 0.00 H new ATOM 0 HB2 LEU A 47 19.548 -9.298 -19.657 1.00 0.00 H new ATOM 0 HB3 LEU A 47 20.159 -10.174 -18.269 1.00 0.00 H new ATOM 0 HG LEU A 47 20.237 -7.994 -17.015 1.00 0.00 H new ATOM 0 HD11 LEU A 47 18.898 -6.136 -17.781 1.00 0.00 H new ATOM 0 HD12 LEU A 47 20.309 -6.424 -18.827 1.00 0.00 H new ATOM 0 HD13 LEU A 47 18.688 -6.929 -19.359 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.760 -8.024 -16.714 1.00 0.00 H new ATOM 0 HD22 LEU A 47 17.602 -8.916 -18.246 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.415 -9.673 -16.855 1.00 0.00 H new ATOM 675 N ILE A 48 22.992 -9.845 -17.455 1.00 0.00 N ATOM 676 CA ILE A 48 23.845 -9.766 -16.272 1.00 0.00 C ATOM 677 C ILE A 48 25.120 -9.000 -16.610 1.00 0.00 C ATOM 678 O ILE A 48 25.565 -8.152 -15.849 1.00 0.00 O ATOM 679 CB ILE A 48 24.243 -11.186 -15.743 1.00 0.00 C ATOM 680 CG1 ILE A 48 22.984 -12.057 -15.529 1.00 0.00 C ATOM 681 CG2 ILE A 48 25.053 -11.053 -14.424 1.00 0.00 C ATOM 682 CD1 ILE A 48 23.267 -13.523 -15.196 1.00 0.00 C ATOM 0 H ILE A 48 22.793 -10.795 -17.769 1.00 0.00 H new ATOM 0 HA ILE A 48 23.278 -9.253 -15.495 1.00 0.00 H new ATOM 0 HB ILE A 48 24.870 -11.677 -16.487 1.00 0.00 H new ATOM 0 HG12 ILE A 48 22.392 -11.624 -14.723 1.00 0.00 H new ATOM 0 HG13 ILE A 48 22.373 -12.015 -16.431 1.00 0.00 H new ATOM 0 HG21 ILE A 48 25.326 -12.045 -14.063 1.00 0.00 H new ATOM 0 HG22 ILE A 48 25.957 -10.473 -14.609 1.00 0.00 H new ATOM 0 HG23 ILE A 48 24.445 -10.548 -13.673 1.00 0.00 H new ATOM 0 HD11 ILE A 48 22.325 -14.054 -15.063 1.00 0.00 H new ATOM 0 HD12 ILE A 48 23.829 -13.979 -16.011 1.00 0.00 H new ATOM 0 HD13 ILE A 48 23.849 -13.581 -14.276 1.00 0.00 H new ATOM 694 N ALA A 49 25.691 -9.294 -17.768 1.00 0.00 N ATOM 695 CA ALA A 49 26.912 -8.649 -18.201 1.00 0.00 C ATOM 696 C ALA A 49 26.714 -7.159 -18.411 1.00 0.00 C ATOM 697 O ALA A 49 27.534 -6.347 -17.972 1.00 0.00 O ATOM 698 CB ALA A 49 27.425 -9.323 -19.476 1.00 0.00 C ATOM 0 H ALA A 49 25.322 -9.981 -18.426 1.00 0.00 H new ATOM 0 HA ALA A 49 27.659 -8.761 -17.415 1.00 0.00 H new ATOM 0 HB1 ALA A 49 28.344 -8.836 -19.800 1.00 0.00 H new ATOM 0 HB2 ALA A 49 27.623 -10.376 -19.276 1.00 0.00 H new ATOM 0 HB3 ALA A 49 26.673 -9.238 -20.260 1.00 0.00 H new ATOM 704 N ARG A 50 25.617 -6.777 -19.054 1.00 0.00 N ATOM 705 CA ARG A 50 25.348 -5.329 -19.306 1.00 0.00 C ATOM 706 C ARG A 50 25.115 -4.610 -18.000 1.00 0.00 C ATOM 707 O ARG A 50 25.618 -3.513 -17.802 1.00 0.00 O ATOM 708 CB ARG A 50 24.164 -5.171 -20.222 1.00 0.00 C ATOM 709 CG ARG A 50 24.384 -5.616 -21.644 1.00 0.00 C ATOM 710 CD ARG A 50 25.357 -4.679 -22.428 1.00 0.00 C ATOM 711 NE ARG A 50 24.832 -3.304 -22.605 1.00 0.00 N ATOM 712 CZ ARG A 50 25.321 -2.206 -22.032 1.00 0.00 C ATOM 713 NH1 ARG A 50 26.338 -2.225 -21.212 1.00 0.00 N ATOM 714 NH2 ARG A 50 24.774 -1.053 -22.290 1.00 0.00 N ATOM 0 H ARG A 50 24.905 -7.414 -19.410 1.00 0.00 H new ATOM 0 HA ARG A 50 26.217 -4.886 -19.792 1.00 0.00 H new ATOM 0 HB2 ARG A 50 23.328 -5.735 -19.808 1.00 0.00 H new ATOM 0 HB3 ARG A 50 23.869 -4.122 -20.229 1.00 0.00 H new ATOM 0 HG2 ARG A 50 24.784 -6.630 -21.645 1.00 0.00 H new ATOM 0 HG3 ARG A 50 23.425 -5.651 -22.161 1.00 0.00 H new ATOM 0 HD2 ARG A 50 26.309 -4.632 -21.900 1.00 0.00 H new ATOM 0 HD3 ARG A 50 25.557 -5.113 -23.408 1.00 0.00 H new ATOM 0 HE ARG A 50 24.026 -3.189 -23.219 1.00 0.00 H new ATOM 0 HH11 ARG A 50 26.794 -3.109 -20.986 1.00 0.00 H new ATOM 0 HH12 ARG A 50 26.676 -1.356 -20.798 1.00 0.00 H new ATOM 0 HH21 ARG A 50 23.978 -0.997 -22.926 1.00 0.00 H new ATOM 0 HH22 ARG A 50 25.141 -0.206 -21.856 1.00 0.00 H new ATOM 728 N ILE A 51 24.380 -5.211 -17.085 1.00 0.00 N ATOM 729 CA ILE A 51 24.188 -4.606 -15.744 1.00 0.00 C ATOM 730 C ILE A 51 25.555 -4.386 -15.097 1.00 0.00 C ATOM 731 O ILE A 51 25.788 -3.347 -14.471 1.00 0.00 O ATOM 732 CB ILE A 51 23.288 -5.494 -14.818 1.00 0.00 C ATOM 733 CG1 ILE A 51 21.839 -5.540 -15.353 1.00 0.00 C ATOM 734 CG2 ILE A 51 23.259 -4.919 -13.375 1.00 0.00 C ATOM 735 CD1 ILE A 51 20.962 -6.624 -14.693 1.00 0.00 C ATOM 0 H ILE A 51 23.905 -6.103 -17.223 1.00 0.00 H new ATOM 0 HA ILE A 51 23.673 -3.654 -15.871 1.00 0.00 H new ATOM 0 HB ILE A 51 23.711 -6.498 -14.809 1.00 0.00 H new ATOM 0 HG12 ILE A 51 21.374 -4.566 -15.198 1.00 0.00 H new ATOM 0 HG13 ILE A 51 21.865 -5.713 -16.429 1.00 0.00 H new ATOM 0 HG21 ILE A 51 22.629 -5.548 -12.745 1.00 0.00 H new ATOM 0 HG22 ILE A 51 24.271 -4.899 -12.971 1.00 0.00 H new ATOM 0 HG23 ILE A 51 22.856 -3.906 -13.395 1.00 0.00 H new ATOM 0 HD11 ILE A 51 19.960 -6.592 -15.122 1.00 0.00 H new ATOM 0 HD12 ILE A 51 21.402 -7.605 -14.870 1.00 0.00 H new ATOM 0 HD13 ILE A 51 20.903 -6.441 -13.620 1.00 0.00 H new ATOM 747 N ARG A 52 26.478 -5.321 -15.266 1.00 0.00 N ATOM 748 CA ARG A 52 27.813 -5.158 -14.686 1.00 0.00 C ATOM 749 C ARG A 52 28.596 -4.019 -15.332 1.00 0.00 C ATOM 750 O ARG A 52 29.290 -3.300 -14.637 1.00 0.00 O ATOM 751 CB ARG A 52 28.604 -6.468 -14.802 1.00 0.00 C ATOM 752 CG ARG A 52 29.354 -6.835 -13.518 1.00 0.00 C ATOM 753 CD ARG A 52 30.533 -5.915 -13.269 1.00 0.00 C ATOM 754 NE ARG A 52 31.264 -6.270 -12.051 1.00 0.00 N ATOM 755 CZ ARG A 52 32.308 -5.597 -11.574 1.00 0.00 C ATOM 756 NH1 ARG A 52 32.774 -4.515 -12.163 1.00 0.00 N ATOM 757 NH2 ARG A 52 32.902 -6.028 -10.493 1.00 0.00 N ATOM 0 H ARG A 52 26.337 -6.186 -15.788 1.00 0.00 H new ATOM 0 HA ARG A 52 27.676 -4.902 -13.636 1.00 0.00 H new ATOM 0 HB2 ARG A 52 27.920 -7.277 -15.059 1.00 0.00 H new ATOM 0 HB3 ARG A 52 29.318 -6.382 -15.621 1.00 0.00 H new ATOM 0 HG2 ARG A 52 28.670 -6.785 -12.671 1.00 0.00 H new ATOM 0 HG3 ARG A 52 29.705 -7.865 -13.584 1.00 0.00 H new ATOM 0 HD2 ARG A 52 31.210 -5.956 -14.122 1.00 0.00 H new ATOM 0 HD3 ARG A 52 30.179 -4.887 -13.192 1.00 0.00 H new ATOM 0 HE ARG A 52 30.951 -7.090 -11.532 1.00 0.00 H new ATOM 0 HH11 ARG A 52 32.332 -4.167 -13.014 1.00 0.00 H new ATOM 0 HH12 ARG A 52 33.577 -4.025 -11.768 1.00 0.00 H new ATOM 0 HH21 ARG A 52 32.564 -6.870 -10.027 1.00 0.00 H new ATOM 0 HH22 ARG A 52 33.704 -5.523 -10.116 1.00 0.00 H new ATOM 771 N GLU A 53 28.462 -3.823 -16.631 1.00 0.00 N ATOM 772 CA GLU A 53 29.171 -2.729 -17.291 1.00 0.00 C ATOM 773 C GLU A 53 28.624 -1.373 -16.834 1.00 0.00 C ATOM 774 O GLU A 53 29.384 -0.432 -16.609 1.00 0.00 O ATOM 775 CB GLU A 53 29.049 -2.838 -18.820 1.00 0.00 C ATOM 776 CG GLU A 53 29.710 -4.077 -19.420 1.00 0.00 C ATOM 777 CD GLU A 53 31.211 -4.136 -19.155 1.00 0.00 C ATOM 778 OE1 GLU A 53 31.953 -3.293 -19.700 1.00 0.00 O ATOM 779 OE2 GLU A 53 31.649 -5.054 -18.422 1.00 0.00 O ATOM 0 H GLU A 53 27.881 -4.393 -17.246 1.00 0.00 H new ATOM 0 HA GLU A 53 30.222 -2.804 -17.012 1.00 0.00 H new ATOM 0 HB2 GLU A 53 27.993 -2.839 -19.089 1.00 0.00 H new ATOM 0 HB3 GLU A 53 29.492 -1.950 -19.272 1.00 0.00 H new ATOM 0 HG2 GLU A 53 29.238 -4.969 -19.009 1.00 0.00 H new ATOM 0 HG3 GLU A 53 29.535 -4.091 -20.496 1.00 0.00 H new ATOM 786 N GLU A 54 27.310 -1.265 -16.713 1.00 0.00 N ATOM 787 CA GLU A 54 26.674 0.014 -16.392 1.00 0.00 C ATOM 788 C GLU A 54 26.669 0.370 -14.902 1.00 0.00 C ATOM 789 O GLU A 54 26.860 1.527 -14.533 1.00 0.00 O ATOM 790 CB GLU A 54 25.240 -0.029 -16.919 1.00 0.00 C ATOM 791 CG GLU A 54 25.072 -0.318 -18.396 1.00 0.00 C ATOM 792 CD GLU A 54 25.665 0.765 -19.278 1.00 0.00 C ATOM 793 OE1 GLU A 54 25.329 1.938 -19.082 1.00 0.00 O ATOM 794 OE2 GLU A 54 26.361 0.414 -20.268 1.00 0.00 O ATOM 0 H GLU A 54 26.660 -2.042 -16.831 1.00 0.00 H new ATOM 0 HA GLU A 54 27.266 0.795 -16.869 1.00 0.00 H new ATOM 0 HB2 GLU A 54 24.693 -0.787 -16.359 1.00 0.00 H new ATOM 0 HB3 GLU A 54 24.768 0.929 -16.703 1.00 0.00 H new ATOM 0 HG2 GLU A 54 25.545 -1.271 -18.631 1.00 0.00 H new ATOM 0 HG3 GLU A 54 24.011 -0.424 -18.622 1.00 0.00 H new ATOM 801 N LEU A 55 26.426 -0.618 -14.051 1.00 0.00 N ATOM 802 CA LEU A 55 26.277 -0.383 -12.611 1.00 0.00 C ATOM 803 C LEU A 55 27.382 -0.992 -11.761 1.00 0.00 C ATOM 804 O LEU A 55 27.463 -0.727 -10.556 1.00 0.00 O ATOM 805 CB LEU A 55 24.931 -0.939 -12.158 1.00 0.00 C ATOM 806 CG LEU A 55 23.724 0.004 -12.129 1.00 0.00 C ATOM 807 CD1 LEU A 55 23.808 0.935 -10.915 1.00 0.00 C ATOM 808 CD2 LEU A 55 23.554 0.836 -13.399 1.00 0.00 C ATOM 0 H LEU A 55 26.327 -1.594 -14.329 1.00 0.00 H new ATOM 0 HA LEU A 55 26.341 0.695 -12.464 1.00 0.00 H new ATOM 0 HB2 LEU A 55 24.682 -1.777 -12.810 1.00 0.00 H new ATOM 0 HB3 LEU A 55 25.060 -1.343 -11.154 1.00 0.00 H new ATOM 0 HG LEU A 55 22.847 -0.640 -12.060 1.00 0.00 H new ATOM 0 HD11 LEU A 55 22.944 1.600 -10.906 1.00 0.00 H new ATOM 0 HD12 LEU A 55 23.818 0.341 -10.001 1.00 0.00 H new ATOM 0 HD13 LEU A 55 24.721 1.527 -10.973 1.00 0.00 H new ATOM 0 HD21 LEU A 55 22.678 1.477 -13.299 1.00 0.00 H new ATOM 0 HD22 LEU A 55 24.440 1.453 -13.551 1.00 0.00 H new ATOM 0 HD23 LEU A 55 23.423 0.173 -14.254 1.00 0.00 H new ATOM 820 N GLY A 56 28.229 -1.828 -12.346 1.00 0.00 N ATOM 821 CA GLY A 56 29.331 -2.432 -11.606 1.00 0.00 C ATOM 822 C GLY A 56 28.928 -3.598 -10.713 1.00 0.00 C ATOM 823 O GLY A 56 29.679 -3.983 -9.821 1.00 0.00 O ATOM 0 H GLY A 56 28.176 -2.103 -13.327 1.00 0.00 H new ATOM 0 HA2 GLY A 56 30.083 -2.777 -12.316 1.00 0.00 H new ATOM 0 HA3 GLY A 56 29.802 -1.665 -10.991 1.00 0.00 H new ATOM 827 N VAL A 57 27.731 -4.125 -10.914 1.00 0.00 N ATOM 828 CA VAL A 57 27.195 -5.198 -10.064 1.00 0.00 C ATOM 829 C VAL A 57 26.766 -6.433 -10.848 1.00 0.00 C ATOM 830 O VAL A 57 26.302 -6.339 -11.971 1.00 0.00 O ATOM 831 CB VAL A 57 25.986 -4.672 -9.219 1.00 0.00 C ATOM 832 CG1 VAL A 57 26.451 -3.551 -8.265 1.00 0.00 C ATOM 833 CG2 VAL A 57 24.848 -4.174 -10.118 1.00 0.00 C ATOM 0 H VAL A 57 27.102 -3.831 -11.661 1.00 0.00 H new ATOM 0 HA VAL A 57 28.012 -5.501 -9.409 1.00 0.00 H new ATOM 0 HB VAL A 57 25.601 -5.503 -8.629 1.00 0.00 H new ATOM 0 HG11 VAL A 57 25.602 -3.193 -7.683 1.00 0.00 H new ATOM 0 HG12 VAL A 57 27.215 -3.940 -7.591 1.00 0.00 H new ATOM 0 HG13 VAL A 57 26.865 -2.727 -8.846 1.00 0.00 H new ATOM 0 HG21 VAL A 57 24.025 -3.816 -9.499 1.00 0.00 H new ATOM 0 HG22 VAL A 57 25.210 -3.360 -10.746 1.00 0.00 H new ATOM 0 HG23 VAL A 57 24.498 -4.991 -10.749 1.00 0.00 H new ATOM 843 N ASP A 58 26.938 -7.585 -10.223 1.00 0.00 N ATOM 844 CA ASP A 58 26.615 -8.873 -10.820 1.00 0.00 C ATOM 845 C ASP A 58 25.496 -9.547 -10.038 1.00 0.00 C ATOM 846 O ASP A 58 25.330 -9.307 -8.831 1.00 0.00 O ATOM 847 CB ASP A 58 27.834 -9.786 -10.805 1.00 0.00 C ATOM 848 CG ASP A 58 28.272 -10.147 -9.397 1.00 0.00 C ATOM 849 OD1 ASP A 58 28.879 -9.281 -8.729 1.00 0.00 O ATOM 850 OD2 ASP A 58 27.906 -11.242 -8.901 1.00 0.00 O ATOM 0 H ASP A 58 27.310 -7.655 -9.276 1.00 0.00 H new ATOM 0 HA ASP A 58 26.299 -8.700 -11.849 1.00 0.00 H new ATOM 0 HB2 ASP A 58 27.608 -10.698 -11.357 1.00 0.00 H new ATOM 0 HB3 ASP A 58 28.658 -9.296 -11.324 1.00 0.00 H new ATOM 855 N LEU A 59 24.734 -10.394 -10.713 1.00 0.00 N ATOM 856 CA LEU A 59 23.657 -11.149 -10.083 1.00 0.00 C ATOM 857 C LEU A 59 23.683 -12.544 -10.701 1.00 0.00 C ATOM 858 O LEU A 59 23.690 -12.667 -11.925 1.00 0.00 O ATOM 859 CB LEU A 59 22.319 -10.483 -10.378 1.00 0.00 C ATOM 860 CG LEU A 59 21.128 -11.151 -9.683 1.00 0.00 C ATOM 861 CD1 LEU A 59 20.853 -10.466 -8.355 1.00 0.00 C ATOM 862 CD2 LEU A 59 19.913 -11.102 -10.570 1.00 0.00 C ATOM 0 H LEU A 59 24.843 -10.578 -11.710 1.00 0.00 H new ATOM 0 HA LEU A 59 23.786 -11.192 -9.001 1.00 0.00 H new ATOM 0 HB2 LEU A 59 22.368 -9.439 -10.070 1.00 0.00 H new ATOM 0 HB3 LEU A 59 22.150 -10.490 -11.455 1.00 0.00 H new ATOM 0 HG LEU A 59 21.368 -12.197 -9.491 1.00 0.00 H new ATOM 0 HD11 LEU A 59 20.005 -10.946 -7.867 1.00 0.00 H new ATOM 0 HD12 LEU A 59 21.732 -10.545 -7.716 1.00 0.00 H new ATOM 0 HD13 LEU A 59 20.624 -9.415 -8.529 1.00 0.00 H new ATOM 0 HD21 LEU A 59 19.074 -11.580 -10.064 1.00 0.00 H new ATOM 0 HD22 LEU A 59 19.662 -10.064 -10.787 1.00 0.00 H new ATOM 0 HD23 LEU A 59 20.122 -11.627 -11.502 1.00 0.00 H new ATOM 874 N PRO A 60 23.682 -13.612 -9.888 1.00 0.00 N ATOM 875 CA PRO A 60 23.661 -14.907 -10.577 1.00 0.00 C ATOM 876 C PRO A 60 22.308 -15.176 -11.237 1.00 0.00 C ATOM 877 O PRO A 60 21.265 -14.718 -10.757 1.00 0.00 O ATOM 878 CB PRO A 60 23.935 -15.898 -9.441 1.00 0.00 C ATOM 879 CG PRO A 60 23.367 -15.236 -8.246 1.00 0.00 C ATOM 880 CD PRO A 60 23.698 -13.777 -8.424 1.00 0.00 C ATOM 0 HA PRO A 60 24.383 -14.970 -11.391 1.00 0.00 H new ATOM 0 HB2 PRO A 60 23.460 -16.861 -9.628 1.00 0.00 H new ATOM 0 HB3 PRO A 60 25.002 -16.086 -9.324 1.00 0.00 H new ATOM 0 HG2 PRO A 60 22.290 -15.393 -8.181 1.00 0.00 H new ATOM 0 HG3 PRO A 60 23.803 -15.632 -7.329 1.00 0.00 H new ATOM 0 HD2 PRO A 60 22.965 -13.134 -7.937 1.00 0.00 H new ATOM 0 HD3 PRO A 60 24.671 -13.529 -8.000 1.00 0.00 H new ATOM 888 N ILE A 61 22.314 -15.952 -12.313 1.00 0.00 N ATOM 889 CA ILE A 61 21.081 -16.275 -13.043 1.00 0.00 C ATOM 890 C ILE A 61 20.087 -17.021 -12.136 1.00 0.00 C ATOM 891 O ILE A 61 18.880 -16.939 -12.324 1.00 0.00 O ATOM 892 CB ILE A 61 21.410 -17.088 -14.354 1.00 0.00 C ATOM 893 CG1 ILE A 61 20.201 -17.133 -15.310 1.00 0.00 C ATOM 894 CG2 ILE A 61 21.874 -18.530 -14.027 1.00 0.00 C ATOM 895 CD1 ILE A 61 19.867 -15.804 -15.976 1.00 0.00 C ATOM 0 H ILE A 61 23.156 -16.373 -12.705 1.00 0.00 H new ATOM 0 HA ILE A 61 20.602 -15.345 -13.347 1.00 0.00 H new ATOM 0 HB ILE A 61 22.227 -16.565 -14.851 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.396 -17.874 -16.085 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.328 -17.475 -14.754 1.00 0.00 H new ATOM 0 HG21 ILE A 61 22.092 -19.061 -14.954 1.00 0.00 H new ATOM 0 HG22 ILE A 61 22.772 -18.492 -13.410 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.085 -19.052 -13.487 1.00 0.00 H new ATOM 0 HD11 ILE A 61 19.004 -15.931 -16.630 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.637 -15.062 -15.212 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.721 -15.467 -16.564 1.00 0.00 H new ATOM 907 N ARG A 62 20.601 -17.661 -11.089 1.00 0.00 N ATOM 908 CA ARG A 62 19.764 -18.330 -10.093 1.00 0.00 C ATOM 909 C ARG A 62 18.757 -17.366 -9.481 1.00 0.00 C ATOM 910 O ARG A 62 17.589 -17.697 -9.324 1.00 0.00 O ATOM 911 CB ARG A 62 20.647 -18.900 -8.975 1.00 0.00 C ATOM 912 CG ARG A 62 19.885 -19.761 -7.976 1.00 0.00 C ATOM 913 CD ARG A 62 20.752 -20.153 -6.777 1.00 0.00 C ATOM 914 NE ARG A 62 21.886 -21.019 -7.151 1.00 0.00 N ATOM 915 CZ ARG A 62 21.841 -22.345 -7.253 1.00 0.00 C ATOM 916 NH1 ARG A 62 20.744 -23.032 -7.038 1.00 0.00 N ATOM 917 NH2 ARG A 62 22.925 -22.995 -7.577 1.00 0.00 N ATOM 0 H ARG A 62 21.602 -17.731 -10.906 1.00 0.00 H new ATOM 0 HA ARG A 62 19.222 -19.132 -10.594 1.00 0.00 H new ATOM 0 HB2 ARG A 62 21.444 -19.495 -9.421 1.00 0.00 H new ATOM 0 HB3 ARG A 62 21.123 -18.076 -8.443 1.00 0.00 H new ATOM 0 HG2 ARG A 62 19.007 -19.219 -7.626 1.00 0.00 H new ATOM 0 HG3 ARG A 62 19.526 -20.662 -8.474 1.00 0.00 H new ATOM 0 HD2 ARG A 62 21.132 -19.250 -6.299 1.00 0.00 H new ATOM 0 HD3 ARG A 62 20.135 -20.668 -6.041 1.00 0.00 H new ATOM 0 HE ARG A 62 22.778 -20.564 -7.348 1.00 0.00 H new ATOM 0 HH11 ARG A 62 19.882 -22.550 -6.782 1.00 0.00 H new ATOM 0 HH12 ARG A 62 20.753 -24.048 -7.127 1.00 0.00 H new ATOM 0 HH21 ARG A 62 23.792 -22.487 -7.748 1.00 0.00 H new ATOM 0 HH22 ARG A 62 22.905 -24.012 -7.659 1.00 0.00 H new ATOM 931 N GLN A 63 19.220 -16.175 -9.133 1.00 0.00 N ATOM 932 CA GLN A 63 18.365 -15.196 -8.491 1.00 0.00 C ATOM 933 C GLN A 63 17.446 -14.553 -9.510 1.00 0.00 C ATOM 934 O GLN A 63 16.332 -14.165 -9.187 1.00 0.00 O ATOM 935 CB GLN A 63 19.201 -14.114 -7.800 1.00 0.00 C ATOM 936 CG GLN A 63 19.347 -14.312 -6.290 1.00 0.00 C ATOM 937 CD GLN A 63 20.498 -15.227 -5.908 1.00 0.00 C ATOM 938 OE1 GLN A 63 20.657 -16.318 -6.441 1.00 0.00 O ATOM 939 NE2 GLN A 63 21.310 -14.780 -4.987 1.00 0.00 N ATOM 0 H GLN A 63 20.180 -15.866 -9.285 1.00 0.00 H new ATOM 0 HA GLN A 63 17.767 -15.711 -7.740 1.00 0.00 H new ATOM 0 HB2 GLN A 63 20.193 -14.092 -8.251 1.00 0.00 H new ATOM 0 HB3 GLN A 63 18.745 -13.142 -7.986 1.00 0.00 H new ATOM 0 HG2 GLN A 63 19.492 -13.341 -5.817 1.00 0.00 H new ATOM 0 HG3 GLN A 63 18.419 -14.724 -5.894 1.00 0.00 H new ATOM 0 HE21 GLN A 63 21.148 -13.866 -4.564 1.00 0.00 H new ATOM 0 HE22 GLN A 63 22.106 -15.345 -4.691 1.00 0.00 H new ATOM 948 N LEU A 64 17.908 -14.464 -10.747 1.00 0.00 N ATOM 949 CA LEU A 64 17.135 -13.847 -11.825 1.00 0.00 C ATOM 950 C LEU A 64 15.869 -14.649 -12.136 1.00 0.00 C ATOM 951 O LEU A 64 14.845 -14.077 -12.471 1.00 0.00 O ATOM 952 CB LEU A 64 18.007 -13.699 -13.073 1.00 0.00 C ATOM 953 CG LEU A 64 18.007 -12.284 -13.685 1.00 0.00 C ATOM 954 CD1 LEU A 64 19.196 -12.124 -14.628 1.00 0.00 C ATOM 955 CD2 LEU A 64 16.724 -11.990 -14.457 1.00 0.00 C ATOM 0 H LEU A 64 18.822 -14.813 -11.036 1.00 0.00 H new ATOM 0 HA LEU A 64 16.819 -12.857 -11.496 1.00 0.00 H new ATOM 0 HB2 LEU A 64 19.031 -13.972 -12.820 1.00 0.00 H new ATOM 0 HB3 LEU A 64 17.665 -14.408 -13.827 1.00 0.00 H new ATOM 0 HG LEU A 64 18.077 -11.578 -12.858 1.00 0.00 H new ATOM 0 HD11 LEU A 64 19.189 -11.122 -15.056 1.00 0.00 H new ATOM 0 HD12 LEU A 64 20.123 -12.275 -14.074 1.00 0.00 H new ATOM 0 HD13 LEU A 64 19.127 -12.861 -15.428 1.00 0.00 H new ATOM 0 HD21 LEU A 64 16.770 -10.982 -14.870 1.00 0.00 H new ATOM 0 HD22 LEU A 64 16.615 -12.710 -15.268 1.00 0.00 H new ATOM 0 HD23 LEU A 64 15.869 -12.068 -13.785 1.00 0.00 H new ATOM 967 N PHE A 65 15.912 -15.959 -11.970 1.00 0.00 N ATOM 968 CA PHE A 65 14.713 -16.787 -12.157 1.00 0.00 C ATOM 969 C PHE A 65 13.614 -16.403 -11.161 1.00 0.00 C ATOM 970 O PHE A 65 12.429 -16.457 -11.474 1.00 0.00 O ATOM 971 CB PHE A 65 15.033 -18.276 -11.973 1.00 0.00 C ATOM 972 CG PHE A 65 16.046 -18.812 -12.952 1.00 0.00 C ATOM 973 CD1 PHE A 65 15.912 -18.591 -14.340 1.00 0.00 C ATOM 974 CD2 PHE A 65 17.145 -19.559 -12.484 1.00 0.00 C ATOM 975 CE1 PHE A 65 16.861 -19.121 -15.251 1.00 0.00 C ATOM 976 CE2 PHE A 65 18.101 -20.092 -13.387 1.00 0.00 C ATOM 977 CZ PHE A 65 17.954 -19.873 -14.775 1.00 0.00 C ATOM 0 H PHE A 65 16.751 -16.477 -11.709 1.00 0.00 H new ATOM 0 HA PHE A 65 14.364 -16.610 -13.174 1.00 0.00 H new ATOM 0 HB2 PHE A 65 15.403 -18.435 -10.960 1.00 0.00 H new ATOM 0 HB3 PHE A 65 14.111 -18.850 -12.069 1.00 0.00 H new ATOM 0 HD1 PHE A 65 15.079 -18.013 -14.712 1.00 0.00 H new ATOM 0 HD2 PHE A 65 17.261 -19.728 -11.424 1.00 0.00 H new ATOM 0 HE1 PHE A 65 16.746 -18.948 -16.311 1.00 0.00 H new ATOM 0 HE2 PHE A 65 18.938 -20.663 -13.014 1.00 0.00 H new ATOM 0 HZ PHE A 65 18.676 -20.280 -15.468 1.00 0.00 H new ATOM 987 N SER A 66 14.018 -16.007 -9.962 1.00 0.00 N ATOM 988 CA SER A 66 13.078 -15.582 -8.919 1.00 0.00 C ATOM 989 C SER A 66 12.795 -14.086 -9.000 1.00 0.00 C ATOM 990 O SER A 66 11.964 -13.560 -8.265 1.00 0.00 O ATOM 991 CB SER A 66 13.659 -15.906 -7.544 1.00 0.00 C ATOM 992 OG SER A 66 14.052 -17.271 -7.486 1.00 0.00 O ATOM 0 H SER A 66 14.998 -15.969 -9.680 1.00 0.00 H new ATOM 0 HA SER A 66 12.142 -16.119 -9.071 1.00 0.00 H new ATOM 0 HB2 SER A 66 14.517 -15.264 -7.343 1.00 0.00 H new ATOM 0 HB3 SER A 66 12.919 -15.700 -6.771 1.00 0.00 H new ATOM 0 HG SER A 66 14.424 -17.467 -6.601 1.00 0.00 H new ATOM 998 N SER A 67 13.513 -13.406 -9.879 1.00 0.00 N ATOM 999 CA SER A 67 13.423 -11.957 -10.031 1.00 0.00 C ATOM 1000 C SER A 67 13.203 -11.581 -11.502 1.00 0.00 C ATOM 1001 O SER A 67 14.080 -10.998 -12.133 1.00 0.00 O ATOM 1002 CB SER A 67 14.722 -11.321 -9.551 1.00 0.00 C ATOM 1003 OG SER A 67 15.049 -11.785 -8.246 1.00 0.00 O ATOM 0 H SER A 67 14.181 -13.844 -10.513 1.00 0.00 H new ATOM 0 HA SER A 67 12.581 -11.596 -9.441 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.529 -11.562 -10.242 1.00 0.00 H new ATOM 0 HB3 SER A 67 14.622 -10.236 -9.543 1.00 0.00 H new ATOM 0 HG SER A 67 15.522 -12.641 -8.312 1.00 0.00 H new ATOM 1009 N PRO A 68 12.051 -11.954 -12.085 1.00 0.00 N ATOM 1010 CA PRO A 68 11.912 -11.723 -13.528 1.00 0.00 C ATOM 1011 C PRO A 68 11.638 -10.277 -13.935 1.00 0.00 C ATOM 1012 O PRO A 68 11.789 -9.937 -15.103 1.00 0.00 O ATOM 1013 CB PRO A 68 10.741 -12.621 -13.894 1.00 0.00 C ATOM 1014 CG PRO A 68 9.881 -12.610 -12.688 1.00 0.00 C ATOM 1015 CD PRO A 68 10.866 -12.654 -11.542 1.00 0.00 C ATOM 0 HA PRO A 68 12.845 -11.940 -14.047 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.208 -12.244 -14.766 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.074 -13.630 -14.136 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.260 -11.715 -12.648 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.207 -13.467 -12.669 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.475 -12.154 -10.656 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.101 -13.678 -11.253 1.00 0.00 H new ATOM 1023 N THR A 69 11.205 -9.436 -13.006 1.00 0.00 N ATOM 1024 CA THR A 69 10.895 -8.034 -13.304 1.00 0.00 C ATOM 1025 C THR A 69 12.035 -7.130 -12.837 1.00 0.00 C ATOM 1026 O THR A 69 12.792 -7.510 -11.934 1.00 0.00 O ATOM 1027 CB THR A 69 9.635 -7.574 -12.533 1.00 0.00 C ATOM 1028 OG1 THR A 69 9.811 -7.829 -11.137 1.00 0.00 O ATOM 1029 CG2 THR A 69 8.395 -8.303 -12.992 1.00 0.00 C ATOM 0 H THR A 69 11.058 -9.698 -12.031 1.00 0.00 H new ATOM 0 HA THR A 69 10.742 -7.962 -14.381 1.00 0.00 H new ATOM 0 HB THR A 69 9.506 -6.509 -12.726 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.014 -7.536 -10.648 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.534 -7.949 -12.425 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.233 -8.113 -14.053 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.521 -9.373 -12.830 1.00 0.00 H new ATOM 1037 N PRO A 70 12.125 -5.884 -13.371 1.00 0.00 N ATOM 1038 CA PRO A 70 13.120 -4.965 -12.810 1.00 0.00 C ATOM 1039 C PRO A 70 12.984 -4.762 -11.291 1.00 0.00 C ATOM 1040 O PRO A 70 13.992 -4.665 -10.611 1.00 0.00 O ATOM 1041 CB PRO A 70 12.852 -3.650 -13.605 1.00 0.00 C ATOM 1042 CG PRO A 70 12.234 -4.101 -14.819 1.00 0.00 C ATOM 1043 CD PRO A 70 11.360 -5.235 -14.452 1.00 0.00 C ATOM 0 HA PRO A 70 14.137 -5.342 -12.913 1.00 0.00 H new ATOM 0 HB2 PRO A 70 12.200 -2.974 -13.052 1.00 0.00 H new ATOM 0 HB3 PRO A 70 13.777 -3.108 -13.805 1.00 0.00 H new ATOM 0 HG2 PRO A 70 11.656 -3.300 -15.280 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.986 -4.410 -15.545 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.380 -4.900 -14.112 1.00 0.00 H new ATOM 0 HD3 PRO A 70 11.193 -5.908 -15.293 1.00 0.00 H new ATOM 1051 N ALA A 71 11.755 -4.721 -10.799 1.00 0.00 N ATOM 1052 CA ALA A 71 11.552 -4.512 -9.402 1.00 0.00 C ATOM 1053 C ALA A 71 12.039 -5.682 -8.580 1.00 0.00 C ATOM 1054 O ALA A 71 12.485 -5.513 -7.427 1.00 0.00 O ATOM 1055 CB ALA A 71 10.027 -4.315 -9.167 1.00 0.00 C ATOM 0 H ALA A 71 10.904 -4.830 -11.350 1.00 0.00 H new ATOM 0 HA ALA A 71 12.121 -3.636 -9.089 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.840 -4.153 -8.105 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.680 -3.450 -9.733 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.490 -5.204 -9.498 1.00 0.00 H new ATOM 1061 N GLY A 72 12.082 -6.857 -9.170 1.00 0.00 N ATOM 1062 CA GLY A 72 12.607 -8.036 -8.512 1.00 0.00 C ATOM 1063 C GLY A 72 14.115 -8.027 -8.524 1.00 0.00 C ATOM 1064 O GLY A 72 14.748 -8.333 -7.521 1.00 0.00 O ATOM 0 H GLY A 72 11.754 -7.023 -10.121 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.247 -8.075 -7.484 1.00 0.00 H new ATOM 0 HA3 GLY A 72 12.240 -8.932 -9.013 1.00 0.00 H new ATOM 1068 N VAL A 73 14.707 -7.677 -9.656 1.00 0.00 N ATOM 1069 CA VAL A 73 16.167 -7.672 -9.754 1.00 0.00 C ATOM 1070 C VAL A 73 16.758 -6.625 -8.813 1.00 0.00 C ATOM 1071 O VAL A 73 17.750 -6.885 -8.156 1.00 0.00 O ATOM 1072 CB VAL A 73 16.655 -7.417 -11.216 1.00 0.00 C ATOM 1073 CG1 VAL A 73 18.197 -7.322 -11.268 1.00 0.00 C ATOM 1074 CG2 VAL A 73 16.199 -8.548 -12.134 1.00 0.00 C ATOM 0 H VAL A 73 14.216 -7.398 -10.505 1.00 0.00 H new ATOM 0 HA VAL A 73 16.516 -8.661 -9.459 1.00 0.00 H new ATOM 0 HB VAL A 73 16.223 -6.475 -11.552 1.00 0.00 H new ATOM 0 HG11 VAL A 73 18.516 -7.144 -12.295 1.00 0.00 H new ATOM 0 HG12 VAL A 73 18.532 -6.499 -10.636 1.00 0.00 H new ATOM 0 HG13 VAL A 73 18.631 -8.255 -10.909 1.00 0.00 H new ATOM 0 HG21 VAL A 73 16.547 -8.356 -13.149 1.00 0.00 H new ATOM 0 HG22 VAL A 73 16.613 -9.492 -11.781 1.00 0.00 H new ATOM 0 HG23 VAL A 73 15.110 -8.605 -12.128 1.00 0.00 H new ATOM 1084 N ALA A 74 16.135 -5.456 -8.706 1.00 0.00 N ATOM 1085 CA ALA A 74 16.684 -4.405 -7.857 1.00 0.00 C ATOM 1086 C ALA A 74 16.773 -4.794 -6.377 1.00 0.00 C ATOM 1087 O ALA A 74 17.770 -4.496 -5.722 1.00 0.00 O ATOM 1088 CB ALA A 74 15.816 -3.144 -7.988 1.00 0.00 C ATOM 0 H ALA A 74 15.268 -5.215 -9.186 1.00 0.00 H new ATOM 0 HA ALA A 74 17.703 -4.228 -8.201 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.222 -2.355 -7.355 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.813 -2.811 -9.026 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.796 -3.370 -7.676 1.00 0.00 H new ATOM 1094 N ARG A 75 15.774 -5.482 -5.853 1.00 0.00 N ATOM 1095 CA ARG A 75 15.815 -5.887 -4.446 1.00 0.00 C ATOM 1096 C ARG A 75 16.809 -7.029 -4.273 1.00 0.00 C ATOM 1097 O ARG A 75 17.470 -7.135 -3.251 1.00 0.00 O ATOM 1098 CB ARG A 75 14.411 -6.245 -3.948 1.00 0.00 C ATOM 1099 CG ARG A 75 13.728 -7.374 -4.684 1.00 0.00 C ATOM 1100 CD ARG A 75 12.293 -7.548 -4.222 1.00 0.00 C ATOM 1101 NE ARG A 75 11.456 -6.460 -4.756 1.00 0.00 N ATOM 1102 CZ ARG A 75 10.214 -6.183 -4.375 1.00 0.00 C ATOM 1103 NH1 ARG A 75 9.587 -6.886 -3.460 1.00 0.00 N ATOM 1104 NH2 ARG A 75 9.595 -5.179 -4.928 1.00 0.00 N ATOM 0 H ARG A 75 14.938 -5.770 -6.362 1.00 0.00 H new ATOM 0 HA ARG A 75 16.159 -5.055 -3.831 1.00 0.00 H new ATOM 0 HB2 ARG A 75 14.475 -6.509 -2.892 1.00 0.00 H new ATOM 0 HB3 ARG A 75 13.783 -5.357 -4.017 1.00 0.00 H new ATOM 0 HG2 ARG A 75 13.745 -7.175 -5.756 1.00 0.00 H new ATOM 0 HG3 ARG A 75 14.279 -8.301 -4.523 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.909 -8.511 -4.557 1.00 0.00 H new ATOM 0 HD3 ARG A 75 12.251 -7.549 -3.133 1.00 0.00 H new ATOM 0 HE ARG A 75 11.865 -5.869 -5.480 1.00 0.00 H new ATOM 0 HH11 ARG A 75 10.054 -7.676 -3.015 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.633 -6.642 -3.194 1.00 0.00 H new ATOM 0 HH21 ARG A 75 10.064 -4.621 -5.641 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.641 -4.951 -4.648 1.00 0.00 H new