USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 499 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 LYS NZ :NH3+ 154:sc= -0.104 (180deg=-0.577) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 28:sc= 0.526 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.918 USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0121) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 158:sc= -0.0435 (180deg=-0.644) USER MOD Single : A 50 THR OG1 : rot -120:sc= -0.307 USER MOD Single : A 54 LYS NZ :NH3+ -111:sc= -1.27 (180deg=-3.47!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -1.2 K(o=-1.2,f=-7.2!) USER MOD Single : A 66 ASN : amide:sc= -3.09! C(o=-3.1!,f=-3!) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.357 F(o=-1.8!,f=-0.36) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 191 N VAL A 10 8.221 -17.154 -7.201 1.00 0.00 N ATOM 192 CA VAL A 10 7.508 -15.951 -6.788 1.00 0.00 C ATOM 193 C VAL A 10 7.650 -14.844 -7.827 1.00 0.00 C ATOM 194 O VAL A 10 8.694 -14.707 -8.466 1.00 0.00 O ATOM 195 CB VAL A 10 8.018 -15.435 -5.430 1.00 0.00 C ATOM 196 CG1 VAL A 10 7.335 -14.125 -5.066 1.00 0.00 C ATOM 197 CG2 VAL A 10 7.799 -16.480 -4.347 1.00 0.00 C ATOM 0 HA VAL A 10 6.457 -16.223 -6.693 1.00 0.00 H new ATOM 0 HB VAL A 10 9.089 -15.248 -5.510 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.708 -13.775 -4.103 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.549 -13.378 -5.831 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.258 -14.281 -5.003 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.165 -16.099 -3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.735 -16.701 -4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.340 -17.390 -4.605 1.00 0.00 H new ATOM 207 N LYS A 11 6.594 -14.055 -7.991 1.00 0.00 N ATOM 208 CA LYS A 11 6.600 -12.957 -8.951 1.00 0.00 C ATOM 209 C LYS A 11 6.222 -11.643 -8.276 1.00 0.00 C ATOM 210 O LYS A 11 5.300 -11.594 -7.461 1.00 0.00 O ATOM 211 CB LYS A 11 5.631 -13.251 -10.098 1.00 0.00 C ATOM 212 CG LYS A 11 5.797 -12.321 -11.287 1.00 0.00 C ATOM 213 CD LYS A 11 4.931 -11.080 -11.150 1.00 0.00 C ATOM 214 CE LYS A 11 4.580 -10.492 -12.509 1.00 0.00 C ATOM 215 NZ LYS A 11 3.743 -11.423 -13.316 1.00 0.00 N ATOM 0 H LYS A 11 5.722 -14.155 -7.471 1.00 0.00 H new ATOM 0 HA LYS A 11 7.609 -12.862 -9.351 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.774 -14.280 -10.429 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.609 -13.175 -9.728 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.843 -12.028 -11.377 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.534 -12.850 -12.203 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.016 -11.331 -10.614 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.455 -10.333 -10.554 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.047 -9.551 -12.371 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.496 -10.263 -13.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.172 -10.878 -13.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.358 -12.083 -13.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.114 -11.959 -12.685 1.00 0.00 H new ATOM 229 N VAL A 12 6.939 -10.578 -8.621 1.00 0.00 N ATOM 230 CA VAL A 12 6.678 -9.262 -8.050 1.00 0.00 C ATOM 231 C VAL A 12 6.093 -8.317 -9.094 1.00 0.00 C ATOM 232 O VAL A 12 6.450 -8.377 -10.271 1.00 0.00 O ATOM 233 CB VAL A 12 7.960 -8.637 -7.469 1.00 0.00 C ATOM 234 CG1 VAL A 12 7.668 -7.262 -6.888 1.00 0.00 C ATOM 235 CG2 VAL A 12 8.567 -9.552 -6.416 1.00 0.00 C ATOM 0 H VAL A 12 7.706 -10.601 -9.294 1.00 0.00 H new ATOM 0 HA VAL A 12 5.956 -9.404 -7.246 1.00 0.00 H new ATOM 0 HB VAL A 12 8.684 -8.518 -8.275 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.586 -6.836 -6.482 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.281 -6.611 -7.672 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.928 -7.353 -6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.472 -9.096 -6.016 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.850 -9.704 -5.609 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.814 -10.513 -6.868 1.00 0.00 H new ATOM 245 N VAL A 13 5.192 -7.444 -8.655 1.00 0.00 N ATOM 246 CA VAL A 13 4.558 -6.484 -9.551 1.00 0.00 C ATOM 247 C VAL A 13 4.721 -5.059 -9.034 1.00 0.00 C ATOM 248 O VAL A 13 4.406 -4.766 -7.880 1.00 0.00 O ATOM 249 CB VAL A 13 3.058 -6.786 -9.727 1.00 0.00 C ATOM 250 CG1 VAL A 13 2.421 -5.789 -10.683 1.00 0.00 C ATOM 251 CG2 VAL A 13 2.857 -8.212 -10.218 1.00 0.00 C ATOM 0 H VAL A 13 4.885 -7.382 -7.684 1.00 0.00 H new ATOM 0 HA VAL A 13 5.055 -6.576 -10.517 1.00 0.00 H new ATOM 0 HB VAL A 13 2.568 -6.687 -8.758 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.361 -6.018 -10.795 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.534 -4.780 -10.285 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.911 -5.853 -11.655 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.792 -8.409 -10.337 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.359 -8.341 -11.177 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.276 -8.909 -9.492 1.00 0.00 H new ATOM 261 N TYR A 14 5.214 -4.176 -9.895 1.00 0.00 N ATOM 262 CA TYR A 14 5.421 -2.781 -9.524 1.00 0.00 C ATOM 263 C TYR A 14 4.361 -1.886 -10.160 1.00 0.00 C ATOM 264 O TYR A 14 4.130 -1.938 -11.369 1.00 0.00 O ATOM 265 CB TYR A 14 6.816 -2.319 -9.950 1.00 0.00 C ATOM 266 CG TYR A 14 7.930 -2.916 -9.120 1.00 0.00 C ATOM 267 CD1 TYR A 14 8.306 -4.244 -9.278 1.00 0.00 C ATOM 268 CD2 TYR A 14 8.606 -2.152 -8.177 1.00 0.00 C ATOM 269 CE1 TYR A 14 9.323 -4.793 -8.522 1.00 0.00 C ATOM 270 CE2 TYR A 14 9.625 -2.692 -7.417 1.00 0.00 C ATOM 271 CZ TYR A 14 9.980 -4.013 -7.593 1.00 0.00 C ATOM 272 OH TYR A 14 10.994 -4.556 -6.837 1.00 0.00 O ATOM 0 H TYR A 14 5.478 -4.401 -10.854 1.00 0.00 H new ATOM 0 HA TYR A 14 5.335 -2.703 -8.440 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.973 -2.581 -10.996 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.866 -1.232 -9.883 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.794 -4.858 -10.005 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.330 -1.118 -8.036 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.602 -5.827 -8.657 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.141 -2.083 -6.689 1.00 0.00 H new ATOM 0 HH TYR A 14 11.352 -3.873 -6.232 1.00 0.00 H new ATOM 282 N LEU A 15 3.720 -1.064 -9.337 1.00 0.00 N ATOM 283 CA LEU A 15 2.684 -0.155 -9.816 1.00 0.00 C ATOM 284 C LEU A 15 2.680 1.140 -9.010 1.00 0.00 C ATOM 285 O LEU A 15 2.802 1.120 -7.785 1.00 0.00 O ATOM 286 CB LEU A 15 1.312 -0.825 -9.733 1.00 0.00 C ATOM 287 CG LEU A 15 1.179 -2.174 -10.442 1.00 0.00 C ATOM 288 CD1 LEU A 15 -0.040 -2.927 -9.933 1.00 0.00 C ATOM 289 CD2 LEU A 15 1.097 -1.979 -11.949 1.00 0.00 C ATOM 0 H LEU A 15 3.899 -1.008 -8.334 1.00 0.00 H new ATOM 0 HA LEU A 15 2.901 0.087 -10.856 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.061 -0.964 -8.681 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.571 -0.143 -10.151 1.00 0.00 H new ATOM 0 HG LEU A 15 2.066 -2.768 -10.220 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.118 -3.884 -10.449 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.060 -3.100 -8.861 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.937 -2.338 -10.123 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.003 -2.949 -12.437 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.229 -1.366 -12.190 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.001 -1.482 -12.301 1.00 0.00 H new ATOM 301 N ARG A 16 2.537 2.263 -9.706 1.00 0.00 N ATOM 302 CA ARG A 16 2.516 3.568 -9.054 1.00 0.00 C ATOM 303 C ARG A 16 1.082 4.028 -8.806 1.00 0.00 C ATOM 304 O ARG A 16 0.236 3.965 -9.699 1.00 0.00 O ATOM 305 CB ARG A 16 3.253 4.600 -9.909 1.00 0.00 C ATOM 306 CG ARG A 16 4.767 4.486 -9.831 1.00 0.00 C ATOM 307 CD ARG A 16 5.309 3.540 -10.891 1.00 0.00 C ATOM 308 NE ARG A 16 6.757 3.658 -11.040 1.00 0.00 N ATOM 309 CZ ARG A 16 7.444 3.086 -12.023 1.00 0.00 C ATOM 310 NH1 ARG A 16 6.817 2.362 -12.940 1.00 0.00 N ATOM 311 NH2 ARG A 16 8.760 3.239 -12.091 1.00 0.00 N ATOM 0 H ARG A 16 2.434 2.296 -10.720 1.00 0.00 H new ATOM 0 HA ARG A 16 3.021 3.475 -8.093 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.942 4.488 -10.948 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.956 5.600 -9.593 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.214 5.472 -9.958 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.056 4.130 -8.842 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.054 2.514 -10.626 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.828 3.751 -11.846 1.00 0.00 H new ATOM 0 HE ARG A 16 7.269 4.210 -10.352 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.805 2.243 -12.892 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.347 1.924 -13.694 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.246 3.796 -11.388 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.286 2.799 -12.846 1.00 0.00 H new ATOM 325 N CYS A 17 0.817 4.488 -7.589 1.00 0.00 N ATOM 326 CA CYS A 17 -0.514 4.958 -7.222 1.00 0.00 C ATOM 327 C CYS A 17 -0.439 5.973 -6.086 1.00 0.00 C ATOM 328 O CYS A 17 0.546 6.025 -5.349 1.00 0.00 O ATOM 329 CB CYS A 17 -1.398 3.779 -6.811 1.00 0.00 C ATOM 330 SG CYS A 17 -2.211 2.948 -8.196 1.00 0.00 S ATOM 0 H CYS A 17 1.506 4.546 -6.839 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.953 5.446 -8.092 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.789 3.053 -6.272 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.159 4.134 -6.117 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.489 3.086 -9.269 1.00 0.00 H new ATOM 336 N THR A 18 -1.486 6.781 -5.951 1.00 0.00 N ATOM 337 CA THR A 18 -1.538 7.797 -4.908 1.00 0.00 C ATOM 338 C THR A 18 -1.894 7.182 -3.559 1.00 0.00 C ATOM 339 O THR A 18 -2.729 6.282 -3.477 1.00 0.00 O ATOM 340 CB THR A 18 -2.564 8.896 -5.244 1.00 0.00 C ATOM 341 OG1 THR A 18 -2.317 9.411 -6.558 1.00 0.00 O ATOM 342 CG2 THR A 18 -2.496 10.028 -4.230 1.00 0.00 C ATOM 0 H THR A 18 -2.310 6.751 -6.552 1.00 0.00 H new ATOM 0 HA THR A 18 -0.545 8.242 -4.851 1.00 0.00 H new ATOM 0 HB THR A 18 -3.560 8.456 -5.207 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.974 10.108 -6.765 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.229 10.792 -4.488 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.712 9.639 -3.235 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.498 10.465 -4.239 1.00 0.00 H new ATOM 350 N GLY A 19 -1.255 7.675 -2.502 1.00 0.00 N ATOM 351 CA GLY A 19 -1.519 7.162 -1.170 1.00 0.00 C ATOM 352 C GLY A 19 -2.947 7.409 -0.726 1.00 0.00 C ATOM 353 O GLY A 19 -3.459 8.521 -0.848 1.00 0.00 O ATOM 0 H GLY A 19 -0.560 8.420 -2.544 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.315 6.091 -1.149 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.835 7.630 -0.462 1.00 0.00 H new ATOM 357 N GLY A 20 -3.593 6.367 -0.210 1.00 0.00 N ATOM 358 CA GLY A 20 -4.965 6.496 0.244 1.00 0.00 C ATOM 359 C GLY A 20 -5.940 6.682 -0.902 1.00 0.00 C ATOM 360 O GLY A 20 -6.856 7.500 -0.820 1.00 0.00 O ATOM 0 H GLY A 20 -3.190 5.436 -0.099 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.242 5.608 0.812 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.041 7.345 0.923 1.00 0.00 H new ATOM 364 N GLU A 21 -5.743 5.920 -1.974 1.00 0.00 N ATOM 365 CA GLU A 21 -6.611 6.007 -3.142 1.00 0.00 C ATOM 366 C GLU A 21 -7.746 4.991 -3.053 1.00 0.00 C ATOM 367 O GLU A 21 -8.053 4.300 -4.025 1.00 0.00 O ATOM 368 CB GLU A 21 -5.806 5.778 -4.423 1.00 0.00 C ATOM 369 CG GLU A 21 -6.438 6.395 -5.659 1.00 0.00 C ATOM 370 CD GLU A 21 -5.550 6.289 -6.883 1.00 0.00 C ATOM 371 OE1 GLU A 21 -4.743 5.339 -6.951 1.00 0.00 O ATOM 372 OE2 GLU A 21 -5.663 7.158 -7.774 1.00 0.00 O ATOM 0 H GLU A 21 -4.991 5.236 -2.057 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.043 7.008 -3.168 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.806 6.191 -4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.689 4.706 -4.582 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.389 5.902 -5.861 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.658 7.445 -5.464 1.00 0.00 H new ATOM 437 N ALA A 27 -13.522 -1.195 -10.186 1.00 0.00 N ATOM 438 CA ALA A 27 -12.499 -1.323 -11.217 1.00 0.00 C ATOM 439 C ALA A 27 -11.494 -2.412 -10.860 1.00 0.00 C ATOM 440 O ALA A 27 -10.857 -2.996 -11.738 1.00 0.00 O ATOM 441 CB ALA A 27 -11.789 0.007 -11.423 1.00 0.00 C ATOM 0 HA ALA A 27 -12.989 -1.609 -12.148 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.028 -0.103 -12.195 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.512 0.762 -11.731 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.317 0.316 -10.490 1.00 0.00 H new ATOM 447 N LEU A 28 -11.355 -2.682 -9.566 1.00 0.00 N ATOM 448 CA LEU A 28 -10.425 -3.701 -9.093 1.00 0.00 C ATOM 449 C LEU A 28 -11.120 -5.052 -8.959 1.00 0.00 C ATOM 450 O LEU A 28 -10.479 -6.069 -8.695 1.00 0.00 O ATOM 451 CB LEU A 28 -9.825 -3.288 -7.748 1.00 0.00 C ATOM 452 CG LEU A 28 -8.798 -2.156 -7.790 1.00 0.00 C ATOM 453 CD1 LEU A 28 -8.547 -1.611 -6.393 1.00 0.00 C ATOM 454 CD2 LEU A 28 -7.499 -2.638 -8.418 1.00 0.00 C ATOM 0 H LEU A 28 -11.875 -2.209 -8.826 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.625 -3.796 -9.827 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.638 -2.989 -7.087 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.354 -4.162 -7.299 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.199 -1.350 -8.405 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.813 -0.806 -6.443 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.479 -1.227 -5.979 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.168 -2.409 -5.754 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.780 -1.819 -8.440 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.094 -3.461 -7.830 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.691 -2.979 -9.435 1.00 0.00 H new ATOM 466 N ALA A 29 -12.437 -5.055 -9.144 1.00 0.00 N ATOM 467 CA ALA A 29 -13.219 -6.282 -9.048 1.00 0.00 C ATOM 468 C ALA A 29 -12.751 -7.312 -10.070 1.00 0.00 C ATOM 469 O ALA A 29 -12.367 -8.431 -9.728 1.00 0.00 O ATOM 470 CB ALA A 29 -14.698 -5.980 -9.239 1.00 0.00 C ATOM 0 H ALA A 29 -12.984 -4.222 -9.361 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.070 -6.703 -8.053 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.271 -6.905 -9.165 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.030 -5.285 -8.468 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.854 -5.534 -10.221 1.00 0.00 H new ATOM 476 N PRO A 30 -12.783 -6.930 -11.355 1.00 0.00 N ATOM 477 CA PRO A 30 -12.366 -7.807 -12.453 1.00 0.00 C ATOM 478 C PRO A 30 -10.861 -8.049 -12.461 1.00 0.00 C ATOM 479 O PRO A 30 -10.387 -9.064 -12.973 1.00 0.00 O ATOM 480 CB PRO A 30 -12.790 -7.035 -13.705 1.00 0.00 C ATOM 481 CG PRO A 30 -12.812 -5.607 -13.280 1.00 0.00 C ATOM 482 CD PRO A 30 -13.229 -5.611 -11.836 1.00 0.00 C ATOM 0 HA PRO A 30 -12.813 -8.798 -12.375 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.089 -7.193 -14.524 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.770 -7.359 -14.057 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.831 -5.149 -13.401 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -13.510 -5.030 -13.886 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.758 -4.800 -11.280 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.307 -5.488 -11.729 1.00 0.00 H new ATOM 490 N LYS A 31 -10.112 -7.111 -11.892 1.00 0.00 N ATOM 491 CA LYS A 31 -8.659 -7.223 -11.831 1.00 0.00 C ATOM 492 C LYS A 31 -8.240 -8.398 -10.954 1.00 0.00 C ATOM 493 O LYS A 31 -7.267 -9.091 -11.252 1.00 0.00 O ATOM 494 CB LYS A 31 -8.050 -5.927 -11.292 1.00 0.00 C ATOM 495 CG LYS A 31 -8.319 -4.717 -12.170 1.00 0.00 C ATOM 496 CD LYS A 31 -7.302 -4.605 -13.293 1.00 0.00 C ATOM 497 CE LYS A 31 -7.561 -3.382 -14.160 1.00 0.00 C ATOM 498 NZ LYS A 31 -6.445 -3.131 -15.113 1.00 0.00 N ATOM 0 H LYS A 31 -10.487 -6.264 -11.466 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.290 -7.398 -12.842 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.446 -5.737 -10.294 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.973 -6.057 -11.188 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.322 -4.788 -12.592 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.292 -3.812 -11.562 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.298 -4.548 -12.872 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.338 -5.503 -13.909 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.489 -3.521 -14.715 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.698 -2.508 -13.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.660 -2.290 -15.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.564 -2.973 -14.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.330 -3.954 -15.738 1.00 0.00 H new ATOM 512 N ILE A 32 -8.980 -8.616 -9.872 1.00 0.00 N ATOM 513 CA ILE A 32 -8.686 -9.709 -8.954 1.00 0.00 C ATOM 514 C ILE A 32 -9.713 -10.828 -9.083 1.00 0.00 C ATOM 515 O ILE A 32 -9.562 -11.896 -8.491 1.00 0.00 O ATOM 516 CB ILE A 32 -8.654 -9.224 -7.493 1.00 0.00 C ATOM 517 CG1 ILE A 32 -7.802 -7.959 -7.371 1.00 0.00 C ATOM 518 CG2 ILE A 32 -8.120 -10.319 -6.582 1.00 0.00 C ATOM 519 CD1 ILE A 32 -7.624 -7.485 -5.945 1.00 0.00 C ATOM 0 H ILE A 32 -9.787 -8.050 -9.610 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.701 -10.090 -9.224 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.671 -8.985 -7.183 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.821 -8.148 -7.808 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -8.263 -7.163 -7.955 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.104 -9.960 -5.553 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.764 -11.196 -6.651 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.109 -10.587 -6.889 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -7.010 -6.585 -5.935 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -8.599 -7.264 -5.511 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.135 -8.265 -5.361 1.00 0.00 H new ATOM 531 N GLY A 33 -10.759 -10.577 -9.865 1.00 0.00 N ATOM 532 CA GLY A 33 -11.796 -11.573 -10.061 1.00 0.00 C ATOM 533 C GLY A 33 -11.230 -12.958 -10.308 1.00 0.00 C ATOM 534 O GLY A 33 -11.462 -13.892 -9.540 1.00 0.00 O ATOM 0 H GLY A 33 -10.906 -9.701 -10.366 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.441 -11.599 -9.183 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.420 -11.282 -10.907 1.00 0.00 H new ATOM 538 N PRO A 34 -10.471 -13.104 -11.404 1.00 0.00 N ATOM 539 CA PRO A 34 -9.856 -14.382 -11.776 1.00 0.00 C ATOM 540 C PRO A 34 -8.734 -14.784 -10.825 1.00 0.00 C ATOM 541 O PRO A 34 -8.389 -15.961 -10.719 1.00 0.00 O ATOM 542 CB PRO A 34 -9.300 -14.113 -13.177 1.00 0.00 C ATOM 543 CG PRO A 34 -9.077 -12.641 -13.219 1.00 0.00 C ATOM 544 CD PRO A 34 -10.154 -12.033 -12.364 1.00 0.00 C ATOM 0 HA PRO A 34 -10.570 -15.205 -11.737 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -8.372 -14.659 -13.346 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -10.001 -14.429 -13.949 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -8.087 -12.386 -12.840 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.133 -12.267 -14.241 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -9.806 -11.131 -11.860 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.026 -11.752 -12.955 1.00 0.00 H new ATOM 552 N LEU A 35 -8.168 -13.800 -10.136 1.00 0.00 N ATOM 553 CA LEU A 35 -7.084 -14.051 -9.193 1.00 0.00 C ATOM 554 C LEU A 35 -7.579 -14.858 -7.997 1.00 0.00 C ATOM 555 O LEU A 35 -7.117 -15.971 -7.751 1.00 0.00 O ATOM 556 CB LEU A 35 -6.480 -12.729 -8.716 1.00 0.00 C ATOM 557 CG LEU A 35 -5.341 -12.166 -9.567 1.00 0.00 C ATOM 558 CD1 LEU A 35 -5.833 -11.841 -10.969 1.00 0.00 C ATOM 559 CD2 LEU A 35 -4.745 -10.930 -8.910 1.00 0.00 C ATOM 0 H LEU A 35 -8.442 -12.820 -10.213 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.316 -14.630 -9.706 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.275 -11.985 -8.671 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.113 -12.866 -7.699 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.562 -12.924 -9.644 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.009 -11.442 -11.560 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.212 -12.748 -11.441 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.631 -11.101 -10.912 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.936 -10.543 -9.529 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.516 -10.167 -8.802 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.355 -11.193 -7.927 1.00 0.00 H new ATOM 571 N GLY A 36 -8.526 -14.288 -7.256 1.00 0.00 N ATOM 572 CA GLY A 36 -9.070 -14.969 -6.096 1.00 0.00 C ATOM 573 C GLY A 36 -9.263 -14.039 -4.915 1.00 0.00 C ATOM 574 O GLY A 36 -10.373 -13.899 -4.400 1.00 0.00 O ATOM 0 H GLY A 36 -8.925 -13.367 -7.439 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.027 -15.420 -6.359 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.402 -15.781 -5.809 1.00 0.00 H new ATOM 578 N LEU A 37 -8.180 -13.402 -4.483 1.00 0.00 N ATOM 579 CA LEU A 37 -8.234 -12.481 -3.353 1.00 0.00 C ATOM 580 C LEU A 37 -9.326 -11.434 -3.556 1.00 0.00 C ATOM 581 O LEU A 37 -9.994 -11.413 -4.589 1.00 0.00 O ATOM 582 CB LEU A 37 -6.881 -11.793 -3.165 1.00 0.00 C ATOM 583 CG LEU A 37 -5.761 -12.661 -2.590 1.00 0.00 C ATOM 584 CD1 LEU A 37 -5.536 -13.888 -3.460 1.00 0.00 C ATOM 585 CD2 LEU A 37 -4.477 -11.855 -2.458 1.00 0.00 C ATOM 0 H LEU A 37 -7.254 -13.506 -4.898 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.469 -13.057 -2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.555 -11.407 -4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.021 -10.934 -2.509 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.060 -12.996 -1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.735 -14.493 -3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.452 -14.477 -3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.259 -13.575 -4.466 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.691 -12.488 -2.047 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.174 -11.490 -3.439 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.646 -11.008 -1.793 1.00 0.00 H new ATOM 597 N SER A 38 -9.498 -10.567 -2.563 1.00 0.00 N ATOM 598 CA SER A 38 -10.510 -9.519 -2.632 1.00 0.00 C ATOM 599 C SER A 38 -9.864 -8.156 -2.866 1.00 0.00 C ATOM 600 O SER A 38 -8.787 -7.855 -2.352 1.00 0.00 O ATOM 601 CB SER A 38 -11.334 -9.491 -1.343 1.00 0.00 C ATOM 602 OG SER A 38 -12.353 -8.509 -1.411 1.00 0.00 O ATOM 0 H SER A 38 -8.951 -10.569 -1.702 1.00 0.00 H new ATOM 0 HA SER A 38 -11.170 -9.739 -3.472 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.780 -10.471 -1.171 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.681 -9.284 -0.495 1.00 0.00 H new ATOM 0 HG SER A 38 -12.866 -8.512 -0.576 1.00 0.00 H new ATOM 608 N PRO A 39 -10.539 -7.312 -3.660 1.00 0.00 N ATOM 609 CA PRO A 39 -10.051 -5.967 -3.981 1.00 0.00 C ATOM 610 C PRO A 39 -10.101 -5.030 -2.778 1.00 0.00 C ATOM 611 O PRO A 39 -9.209 -4.204 -2.584 1.00 0.00 O ATOM 612 CB PRO A 39 -11.016 -5.490 -5.069 1.00 0.00 C ATOM 613 CG PRO A 39 -12.266 -6.266 -4.834 1.00 0.00 C ATOM 614 CD PRO A 39 -11.829 -7.604 -4.306 1.00 0.00 C ATOM 0 HA PRO A 39 -9.006 -5.976 -4.292 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.196 -4.418 -4.996 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.614 -5.678 -6.065 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.913 -5.757 -4.120 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.835 -6.378 -5.757 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.550 -8.011 -3.597 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.721 -8.336 -5.106 1.00 0.00 H new ATOM 622 N LYS A 40 -11.149 -5.164 -1.972 1.00 0.00 N ATOM 623 CA LYS A 40 -11.314 -4.332 -0.787 1.00 0.00 C ATOM 624 C LYS A 40 -10.163 -4.543 0.192 1.00 0.00 C ATOM 625 O LYS A 40 -9.564 -3.584 0.678 1.00 0.00 O ATOM 626 CB LYS A 40 -12.645 -4.645 -0.100 1.00 0.00 C ATOM 627 CG LYS A 40 -13.106 -3.561 0.858 1.00 0.00 C ATOM 628 CD LYS A 40 -13.587 -2.326 0.114 1.00 0.00 C ATOM 629 CE LYS A 40 -14.154 -1.286 1.068 1.00 0.00 C ATOM 630 NZ LYS A 40 -15.498 -1.674 1.577 1.00 0.00 N ATOM 0 H LYS A 40 -11.897 -5.842 -2.119 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.311 -3.289 -1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -13.411 -4.795 -0.861 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.550 -5.584 0.446 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.911 -3.946 1.484 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.286 -3.290 1.523 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.759 -1.893 -0.448 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.350 -2.611 -0.611 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.472 -1.154 1.908 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -14.222 -0.325 0.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -15.886 -0.902 2.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.133 -1.858 0.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -15.415 -2.533 2.157 1.00 0.00 H new ATOM 644 N LYS A 41 -9.858 -5.805 0.475 1.00 0.00 N ATOM 645 CA LYS A 41 -8.777 -6.143 1.393 1.00 0.00 C ATOM 646 C LYS A 41 -7.436 -5.650 0.860 1.00 0.00 C ATOM 647 O LYS A 41 -6.645 -5.055 1.592 1.00 0.00 O ATOM 648 CB LYS A 41 -8.724 -7.656 1.616 1.00 0.00 C ATOM 649 CG LYS A 41 -9.907 -8.197 2.399 1.00 0.00 C ATOM 650 CD LYS A 41 -9.815 -7.833 3.872 1.00 0.00 C ATOM 651 CE LYS A 41 -10.828 -8.607 4.702 1.00 0.00 C ATOM 652 NZ LYS A 41 -10.308 -9.941 5.110 1.00 0.00 N ATOM 0 H LYS A 41 -10.344 -6.611 0.082 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.974 -5.648 2.344 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.680 -8.156 0.648 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.804 -7.905 2.145 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.833 -7.800 1.982 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.949 -9.281 2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.809 -8.041 4.237 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.984 -6.763 3.995 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.086 -8.031 5.590 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.746 -8.735 4.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.028 -10.437 5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.086 -10.501 4.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.446 -9.818 5.679 1.00 0.00 H new ATOM 666 N VAL A 42 -7.186 -5.900 -0.422 1.00 0.00 N ATOM 667 CA VAL A 42 -5.941 -5.479 -1.054 1.00 0.00 C ATOM 668 C VAL A 42 -5.841 -3.959 -1.112 1.00 0.00 C ATOM 669 O VAL A 42 -4.770 -3.389 -0.906 1.00 0.00 O ATOM 670 CB VAL A 42 -5.817 -6.045 -2.481 1.00 0.00 C ATOM 671 CG1 VAL A 42 -4.522 -5.580 -3.130 1.00 0.00 C ATOM 672 CG2 VAL A 42 -5.898 -7.564 -2.460 1.00 0.00 C ATOM 0 H VAL A 42 -7.829 -6.392 -1.043 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.128 -5.871 -0.443 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.649 -5.668 -3.076 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.452 -5.990 -4.138 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.510 -4.491 -3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.674 -5.925 -2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.809 -7.947 -3.476 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.088 -7.963 -1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.855 -7.872 -2.039 1.00 0.00 H new ATOM 682 N GLY A 43 -6.965 -3.307 -1.393 1.00 0.00 N ATOM 683 CA GLY A 43 -6.982 -1.858 -1.472 1.00 0.00 C ATOM 684 C GLY A 43 -6.731 -1.201 -0.129 1.00 0.00 C ATOM 685 O GLY A 43 -5.991 -0.221 -0.039 1.00 0.00 O ATOM 0 H GLY A 43 -7.864 -3.756 -1.567 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.224 -1.527 -2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.947 -1.530 -1.859 1.00 0.00 H new ATOM 689 N ASP A 44 -7.349 -1.739 0.916 1.00 0.00 N ATOM 690 CA ASP A 44 -7.190 -1.198 2.261 1.00 0.00 C ATOM 691 C ASP A 44 -5.760 -1.391 2.758 1.00 0.00 C ATOM 692 O ASP A 44 -5.227 -0.553 3.484 1.00 0.00 O ATOM 693 CB ASP A 44 -8.172 -1.868 3.223 1.00 0.00 C ATOM 694 CG ASP A 44 -7.797 -1.653 4.676 1.00 0.00 C ATOM 695 OD1 ASP A 44 -7.413 -0.519 5.028 1.00 0.00 O ATOM 696 OD2 ASP A 44 -7.886 -2.621 5.461 1.00 0.00 O ATOM 0 H ASP A 44 -7.965 -2.550 0.858 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.402 -0.130 2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.173 -1.475 3.047 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.208 -2.937 3.014 1.00 0.00 H new ATOM 701 N ASP A 45 -5.147 -2.502 2.363 1.00 0.00 N ATOM 702 CA ASP A 45 -3.780 -2.805 2.768 1.00 0.00 C ATOM 703 C ASP A 45 -2.812 -1.744 2.254 1.00 0.00 C ATOM 704 O ASP A 45 -1.964 -1.251 2.999 1.00 0.00 O ATOM 705 CB ASP A 45 -3.366 -4.184 2.250 1.00 0.00 C ATOM 706 CG ASP A 45 -3.729 -5.297 3.213 1.00 0.00 C ATOM 707 OD1 ASP A 45 -3.529 -5.115 4.432 1.00 0.00 O ATOM 708 OD2 ASP A 45 -4.211 -6.351 2.748 1.00 0.00 O ATOM 0 H ASP A 45 -5.575 -3.207 1.763 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.743 -2.808 3.857 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.847 -4.367 1.289 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.290 -4.195 2.075 1.00 0.00 H new ATOM 713 N ILE A 46 -2.944 -1.398 0.978 1.00 0.00 N ATOM 714 CA ILE A 46 -2.082 -0.395 0.366 1.00 0.00 C ATOM 715 C ILE A 46 -2.312 0.980 0.984 1.00 0.00 C ATOM 716 O ILE A 46 -1.365 1.721 1.243 1.00 0.00 O ATOM 717 CB ILE A 46 -2.312 -0.307 -1.154 1.00 0.00 C ATOM 718 CG1 ILE A 46 -1.990 -1.647 -1.819 1.00 0.00 C ATOM 719 CG2 ILE A 46 -1.466 0.805 -1.755 1.00 0.00 C ATOM 720 CD1 ILE A 46 -2.576 -1.789 -3.207 1.00 0.00 C ATOM 0 H ILE A 46 -3.640 -1.798 0.348 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.054 -0.707 0.553 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.362 -0.076 -1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.908 -1.764 -1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.365 -2.455 -1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.640 0.854 -2.830 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.739 1.757 -1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.412 0.602 -1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.308 -2.763 -3.617 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.661 -1.704 -3.154 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.181 -1.003 -3.851 1.00 0.00 H new ATOM 732 N ALA A 47 -3.578 1.312 1.219 1.00 0.00 N ATOM 733 CA ALA A 47 -3.933 2.596 1.810 1.00 0.00 C ATOM 734 C ALA A 47 -3.292 2.764 3.183 1.00 0.00 C ATOM 735 O ALA A 47 -2.823 3.848 3.533 1.00 0.00 O ATOM 736 CB ALA A 47 -5.445 2.730 1.912 1.00 0.00 C ATOM 0 H ALA A 47 -4.374 0.710 1.009 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.552 3.384 1.161 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.696 3.694 2.355 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.884 2.663 0.917 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.840 1.929 2.537 1.00 0.00 H new ATOM 742 N LYS A 48 -3.274 1.686 3.959 1.00 0.00 N ATOM 743 CA LYS A 48 -2.690 1.713 5.295 1.00 0.00 C ATOM 744 C LYS A 48 -1.191 1.983 5.227 1.00 0.00 C ATOM 745 O LYS A 48 -0.642 2.701 6.062 1.00 0.00 O ATOM 746 CB LYS A 48 -2.949 0.387 6.014 1.00 0.00 C ATOM 747 CG LYS A 48 -3.046 0.522 7.523 1.00 0.00 C ATOM 748 CD LYS A 48 -1.688 0.367 8.186 1.00 0.00 C ATOM 749 CE LYS A 48 -1.403 -1.084 8.541 1.00 0.00 C ATOM 750 NZ LYS A 48 -0.716 -1.802 7.431 1.00 0.00 N ATOM 0 H LYS A 48 -3.658 0.781 3.685 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.162 2.520 5.855 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.875 -0.047 5.636 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.148 -0.311 5.771 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.466 1.496 7.776 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.730 -0.231 7.913 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.911 0.738 7.518 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.651 0.977 9.088 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.784 -1.124 9.437 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.339 -1.591 8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.215 -2.630 7.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.419 -2.114 6.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.034 -1.164 6.975 1.00 0.00 H new ATOM 764 N ALA A 49 -0.534 1.404 4.228 1.00 0.00 N ATOM 765 CA ALA A 49 0.901 1.585 4.050 1.00 0.00 C ATOM 766 C ALA A 49 1.228 3.021 3.655 1.00 0.00 C ATOM 767 O ALA A 49 2.249 3.573 4.068 1.00 0.00 O ATOM 768 CB ALA A 49 1.430 0.615 3.004 1.00 0.00 C ATOM 0 H ALA A 49 -0.973 0.805 3.529 1.00 0.00 H new ATOM 0 HA ALA A 49 1.389 1.377 5.002 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.503 0.762 2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.238 -0.408 3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.928 0.796 2.053 1.00 0.00 H new ATOM 774 N THR A 50 0.356 3.623 2.851 1.00 0.00 N ATOM 775 CA THR A 50 0.553 4.994 2.399 1.00 0.00 C ATOM 776 C THR A 50 -0.160 5.983 3.314 1.00 0.00 C ATOM 777 O THR A 50 -0.486 7.097 2.907 1.00 0.00 O ATOM 778 CB THR A 50 0.046 5.188 0.958 1.00 0.00 C ATOM 779 OG1 THR A 50 -1.373 5.005 0.909 1.00 0.00 O ATOM 780 CG2 THR A 50 0.722 4.210 0.010 1.00 0.00 C ATOM 0 H THR A 50 -0.494 3.181 2.500 1.00 0.00 H new ATOM 0 HA THR A 50 1.626 5.185 2.428 1.00 0.00 H new ATOM 0 HB THR A 50 0.292 6.202 0.644 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.587 4.267 0.300 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.348 4.366 -1.002 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.800 4.372 0.027 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.504 3.189 0.324 1.00 0.00 H new ATOM 788 N GLY A 51 -0.399 5.568 4.555 1.00 0.00 N ATOM 789 CA GLY A 51 -1.072 6.430 5.509 1.00 0.00 C ATOM 790 C GLY A 51 -0.225 7.620 5.913 1.00 0.00 C ATOM 791 O GLY A 51 -0.725 8.739 6.020 1.00 0.00 O ATOM 0 H GLY A 51 -0.138 4.650 4.916 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.008 6.784 5.077 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.329 5.853 6.397 1.00 0.00 H new ATOM 795 N ASP A 52 1.062 7.378 6.140 1.00 0.00 N ATOM 796 CA ASP A 52 1.981 8.439 6.536 1.00 0.00 C ATOM 797 C ASP A 52 2.179 9.438 5.400 1.00 0.00 C ATOM 798 O ASP A 52 2.478 10.608 5.635 1.00 0.00 O ATOM 799 CB ASP A 52 3.328 7.847 6.952 1.00 0.00 C ATOM 800 CG ASP A 52 3.381 7.511 8.430 1.00 0.00 C ATOM 801 OD1 ASP A 52 2.924 8.341 9.243 1.00 0.00 O ATOM 802 OD2 ASP A 52 3.881 6.419 8.773 1.00 0.00 O ATOM 0 H ASP A 52 1.492 6.457 6.057 1.00 0.00 H new ATOM 0 HA ASP A 52 1.546 8.964 7.386 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.521 6.946 6.370 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.122 8.555 6.715 1.00 0.00 H new ATOM 807 N TRP A 53 2.012 8.967 4.170 1.00 0.00 N ATOM 808 CA TRP A 53 2.175 9.819 2.997 1.00 0.00 C ATOM 809 C TRP A 53 1.007 9.644 2.032 1.00 0.00 C ATOM 810 O TRP A 53 1.204 9.463 0.830 1.00 0.00 O ATOM 811 CB TRP A 53 3.491 9.499 2.287 1.00 0.00 C ATOM 812 CG TRP A 53 3.852 8.045 2.331 1.00 0.00 C ATOM 813 CD1 TRP A 53 3.590 7.107 1.374 1.00 0.00 C ATOM 814 CD2 TRP A 53 4.540 7.364 3.386 1.00 0.00 C ATOM 815 NE1 TRP A 53 4.073 5.883 1.772 1.00 0.00 N ATOM 816 CE2 TRP A 53 4.660 6.015 3.002 1.00 0.00 C ATOM 817 CE3 TRP A 53 5.067 7.764 4.618 1.00 0.00 C ATOM 818 CZ2 TRP A 53 5.285 5.065 3.806 1.00 0.00 C ATOM 819 CZ3 TRP A 53 5.686 6.820 5.414 1.00 0.00 C ATOM 820 CH2 TRP A 53 5.792 5.484 5.006 1.00 0.00 C ATOM 0 H TRP A 53 1.764 8.001 3.958 1.00 0.00 H new ATOM 0 HA TRP A 53 2.194 10.856 3.332 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.421 9.817 1.247 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.293 10.079 2.744 1.00 0.00 H new ATOM 0 HD1 TRP A 53 3.079 7.298 0.442 1.00 0.00 H new ATOM 0 HE1 TRP A 53 4.005 5.017 1.238 1.00 0.00 H new ATOM 0 HE3 TRP A 53 4.991 8.792 4.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.367 4.034 3.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 6.096 7.117 6.368 1.00 0.00 H new ATOM 0 HH2 TRP A 53 6.283 4.771 5.651 1.00 0.00 H new ATOM 831 N LYS A 54 -0.209 9.700 2.564 1.00 0.00 N ATOM 832 CA LYS A 54 -1.409 9.550 1.750 1.00 0.00 C ATOM 833 C LYS A 54 -1.531 10.692 0.746 1.00 0.00 C ATOM 834 O LYS A 54 -2.221 11.679 0.994 1.00 0.00 O ATOM 835 CB LYS A 54 -2.652 9.506 2.641 1.00 0.00 C ATOM 836 CG LYS A 54 -2.697 10.614 3.679 1.00 0.00 C ATOM 837 CD LYS A 54 -4.087 10.766 4.273 1.00 0.00 C ATOM 838 CE LYS A 54 -5.086 11.255 3.236 1.00 0.00 C ATOM 839 NZ LYS A 54 -5.733 10.126 2.512 1.00 0.00 N ATOM 0 H LYS A 54 -0.390 9.848 3.557 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.330 8.612 1.200 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.541 9.571 2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.691 8.542 3.149 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.983 10.399 4.473 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.391 11.555 3.222 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.418 9.809 4.676 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.053 11.468 5.106 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.851 11.858 3.725 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.579 11.902 2.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.407 10.114 1.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.479 9.228 2.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.766 10.246 2.534 1.00 0.00 H new ATOM 853 N GLY A 55 -0.857 10.548 -0.392 1.00 0.00 N ATOM 854 CA GLY A 55 -0.905 11.574 -1.417 1.00 0.00 C ATOM 855 C GLY A 55 0.312 11.548 -2.321 1.00 0.00 C ATOM 856 O GLY A 55 0.188 11.624 -3.544 1.00 0.00 O ATOM 0 H GLY A 55 -0.279 9.739 -0.622 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.804 11.440 -2.019 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.981 12.553 -0.944 1.00 0.00 H new ATOM 860 N LEU A 56 1.491 11.442 -1.719 1.00 0.00 N ATOM 861 CA LEU A 56 2.737 11.407 -2.477 1.00 0.00 C ATOM 862 C LEU A 56 2.841 10.124 -3.296 1.00 0.00 C ATOM 863 O LEU A 56 2.450 9.051 -2.838 1.00 0.00 O ATOM 864 CB LEU A 56 3.935 11.522 -1.534 1.00 0.00 C ATOM 865 CG LEU A 56 4.140 12.885 -0.871 1.00 0.00 C ATOM 866 CD1 LEU A 56 3.977 14.003 -1.889 1.00 0.00 C ATOM 867 CD2 LEU A 56 3.166 13.068 0.284 1.00 0.00 C ATOM 0 H LEU A 56 1.611 11.379 -0.708 1.00 0.00 H new ATOM 0 HA LEU A 56 2.740 12.255 -3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.828 10.772 -0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.837 11.273 -2.093 1.00 0.00 H new ATOM 0 HG LEU A 56 5.155 12.926 -0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.126 14.965 -1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.713 13.882 -2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.974 13.964 -2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.326 14.043 0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.144 13.006 -0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.330 12.286 1.025 1.00 0.00 H new ATOM 879 N ARG A 57 3.372 10.244 -4.508 1.00 0.00 N ATOM 880 CA ARG A 57 3.528 9.093 -5.390 1.00 0.00 C ATOM 881 C ARG A 57 4.766 8.284 -5.014 1.00 0.00 C ATOM 882 O ARG A 57 5.869 8.825 -4.925 1.00 0.00 O ATOM 883 CB ARG A 57 3.628 9.550 -6.847 1.00 0.00 C ATOM 884 CG ARG A 57 4.996 10.096 -7.222 1.00 0.00 C ATOM 885 CD ARG A 57 5.363 11.307 -6.380 1.00 0.00 C ATOM 886 NE ARG A 57 6.528 12.010 -6.910 1.00 0.00 N ATOM 887 CZ ARG A 57 6.516 12.704 -8.042 1.00 0.00 C ATOM 888 NH1 ARG A 57 5.404 12.789 -8.759 1.00 0.00 N ATOM 889 NH2 ARG A 57 7.617 13.316 -8.459 1.00 0.00 N ATOM 0 H ARG A 57 3.701 11.125 -4.902 1.00 0.00 H new ATOM 0 HA ARG A 57 2.650 8.457 -5.275 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.390 8.710 -7.499 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.877 10.318 -7.030 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.748 9.318 -7.090 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.003 10.370 -8.277 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.515 11.990 -6.339 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.566 10.989 -5.357 1.00 0.00 H new ATOM 0 HE ARG A 57 7.399 11.965 -6.381 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.555 12.321 -8.441 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.397 13.323 -9.628 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.474 13.254 -7.910 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.606 13.849 -9.329 1.00 0.00 H new ATOM 903 N ILE A 58 4.575 6.988 -4.795 1.00 0.00 N ATOM 904 CA ILE A 58 5.676 6.105 -4.429 1.00 0.00 C ATOM 905 C ILE A 58 5.562 4.761 -5.140 1.00 0.00 C ATOM 906 O ILE A 58 4.478 4.360 -5.566 1.00 0.00 O ATOM 907 CB ILE A 58 5.725 5.867 -2.908 1.00 0.00 C ATOM 908 CG1 ILE A 58 4.490 5.088 -2.452 1.00 0.00 C ATOM 909 CG2 ILE A 58 5.826 7.192 -2.167 1.00 0.00 C ATOM 910 CD1 ILE A 58 3.238 5.934 -2.371 1.00 0.00 C ATOM 0 H ILE A 58 3.668 6.526 -4.865 1.00 0.00 H new ATOM 0 HA ILE A 58 6.595 6.601 -4.740 1.00 0.00 H new ATOM 0 HB ILE A 58 6.611 5.275 -2.676 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.317 4.262 -3.141 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.687 4.651 -1.473 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.860 7.007 -1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.733 7.712 -2.474 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.958 7.807 -2.402 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.402 5.317 -2.041 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.392 6.745 -1.660 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.016 6.350 -3.354 1.00 0.00 H new ATOM 922 N THR A 59 6.689 4.066 -5.264 1.00 0.00 N ATOM 923 CA THR A 59 6.716 2.766 -5.922 1.00 0.00 C ATOM 924 C THR A 59 6.525 1.636 -4.916 1.00 0.00 C ATOM 925 O THR A 59 7.287 1.510 -3.958 1.00 0.00 O ATOM 926 CB THR A 59 8.040 2.547 -6.678 1.00 0.00 C ATOM 927 OG1 THR A 59 8.185 3.532 -7.707 1.00 0.00 O ATOM 928 CG2 THR A 59 8.089 1.155 -7.291 1.00 0.00 C ATOM 0 H THR A 59 7.595 4.382 -4.917 1.00 0.00 H new ATOM 0 HA THR A 59 5.892 2.756 -6.636 1.00 0.00 H new ATOM 0 HB THR A 59 8.860 2.643 -5.966 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.030 3.387 -8.182 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.033 1.023 -7.820 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.007 0.407 -6.502 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.262 1.036 -7.991 1.00 0.00 H new ATOM 936 N VAL A 60 5.504 0.816 -5.141 1.00 0.00 N ATOM 937 CA VAL A 60 5.214 -0.305 -4.255 1.00 0.00 C ATOM 938 C VAL A 60 5.274 -1.630 -5.007 1.00 0.00 C ATOM 939 O VAL A 60 4.843 -1.724 -6.157 1.00 0.00 O ATOM 940 CB VAL A 60 3.827 -0.160 -3.602 1.00 0.00 C ATOM 941 CG1 VAL A 60 3.615 -1.241 -2.552 1.00 0.00 C ATOM 942 CG2 VAL A 60 3.667 1.224 -2.993 1.00 0.00 C ATOM 0 H VAL A 60 4.863 0.907 -5.930 1.00 0.00 H new ATOM 0 HA VAL A 60 5.976 -0.298 -3.476 1.00 0.00 H new ATOM 0 HB VAL A 60 3.067 -0.282 -4.374 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.630 -1.122 -2.101 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.684 -2.222 -3.021 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.380 -1.154 -1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.681 1.309 -2.536 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.433 1.378 -2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.772 1.979 -3.772 1.00 0.00 H new ATOM 952 N LYS A 61 5.810 -2.653 -4.351 1.00 0.00 N ATOM 953 CA LYS A 61 5.926 -3.975 -4.955 1.00 0.00 C ATOM 954 C LYS A 61 4.962 -4.959 -4.300 1.00 0.00 C ATOM 955 O LYS A 61 4.933 -5.094 -3.076 1.00 0.00 O ATOM 956 CB LYS A 61 7.361 -4.491 -4.832 1.00 0.00 C ATOM 957 CG LYS A 61 7.842 -4.611 -3.396 1.00 0.00 C ATOM 958 CD LYS A 61 9.344 -4.833 -3.328 1.00 0.00 C ATOM 959 CE LYS A 61 9.716 -6.256 -3.714 1.00 0.00 C ATOM 960 NZ LYS A 61 10.962 -6.708 -3.034 1.00 0.00 N ATOM 0 H LYS A 61 6.172 -2.592 -3.399 1.00 0.00 H new ATOM 0 HA LYS A 61 5.667 -3.889 -6.010 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.430 -5.467 -5.312 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.027 -3.821 -5.375 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.582 -3.706 -2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.328 -5.439 -2.907 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.847 -4.131 -3.993 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.698 -4.625 -2.318 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.897 -6.928 -3.456 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.850 -6.316 -4.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.181 -7.683 -3.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.749 -6.082 -3.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.826 -6.675 -2.003 1.00 0.00 H new ATOM 974 N LEU A 62 4.175 -5.645 -5.122 1.00 0.00 N ATOM 975 CA LEU A 62 3.210 -6.618 -4.622 1.00 0.00 C ATOM 976 C LEU A 62 3.634 -8.039 -4.981 1.00 0.00 C ATOM 977 O LEU A 62 3.811 -8.368 -6.155 1.00 0.00 O ATOM 978 CB LEU A 62 1.821 -6.329 -5.194 1.00 0.00 C ATOM 979 CG LEU A 62 1.266 -4.928 -4.932 1.00 0.00 C ATOM 980 CD1 LEU A 62 0.073 -4.650 -5.833 1.00 0.00 C ATOM 981 CD2 LEU A 62 0.879 -4.773 -3.469 1.00 0.00 C ATOM 0 H LEU A 62 4.186 -5.545 -6.137 1.00 0.00 H new ATOM 0 HA LEU A 62 3.174 -6.532 -3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.853 -6.490 -6.272 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.122 -7.058 -4.784 1.00 0.00 H new ATOM 0 HG LEU A 62 2.045 -4.201 -5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.309 -3.649 -5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.381 -4.719 -6.876 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.710 -5.383 -5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.486 -3.770 -3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.116 -5.509 -3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.757 -4.929 -2.842 1.00 0.00 H new ATOM 993 N THR A 63 3.795 -8.878 -3.963 1.00 0.00 N ATOM 994 CA THR A 63 4.197 -10.263 -4.170 1.00 0.00 C ATOM 995 C THR A 63 3.072 -11.224 -3.802 1.00 0.00 C ATOM 996 O THR A 63 2.686 -11.324 -2.637 1.00 0.00 O ATOM 997 CB THR A 63 5.448 -10.615 -3.344 1.00 0.00 C ATOM 998 OG1 THR A 63 6.428 -9.579 -3.473 1.00 0.00 O ATOM 999 CG2 THR A 63 6.042 -11.940 -3.797 1.00 0.00 C ATOM 0 H THR A 63 3.653 -8.622 -2.986 1.00 0.00 H new ATOM 0 HA THR A 63 4.429 -10.369 -5.230 1.00 0.00 H new ATOM 0 HB THR A 63 5.151 -10.707 -2.299 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.220 -9.810 -2.943 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.924 -12.167 -3.199 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.304 -12.732 -3.670 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.324 -11.872 -4.848 1.00 0.00 H new ATOM 1007 N ILE A 64 2.551 -11.928 -4.801 1.00 0.00 N ATOM 1008 CA ILE A 64 1.471 -12.882 -4.580 1.00 0.00 C ATOM 1009 C ILE A 64 1.949 -14.313 -4.799 1.00 0.00 C ATOM 1010 O ILE A 64 2.421 -14.661 -5.880 1.00 0.00 O ATOM 1011 CB ILE A 64 0.276 -12.604 -5.511 1.00 0.00 C ATOM 1012 CG1 ILE A 64 -0.471 -11.347 -5.057 1.00 0.00 C ATOM 1013 CG2 ILE A 64 -0.662 -13.802 -5.540 1.00 0.00 C ATOM 1014 CD1 ILE A 64 0.439 -10.267 -4.515 1.00 0.00 C ATOM 0 H ILE A 64 2.859 -11.856 -5.771 1.00 0.00 H new ATOM 0 HA ILE A 64 1.151 -12.763 -3.545 1.00 0.00 H new ATOM 0 HB ILE A 64 0.652 -12.436 -6.520 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.036 -10.946 -5.898 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.194 -11.621 -4.289 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.502 -13.591 -6.202 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.124 -14.677 -5.905 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.033 -13.998 -4.534 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.158 -9.406 -4.213 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.986 -10.650 -3.653 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.146 -9.965 -5.288 1.00 0.00 H new ATOM 1026 N GLN A 65 1.821 -15.138 -3.764 1.00 0.00 N ATOM 1027 CA GLN A 65 2.239 -16.533 -3.844 1.00 0.00 C ATOM 1028 C GLN A 65 1.318 -17.425 -3.017 1.00 0.00 C ATOM 1029 O GLN A 65 1.018 -17.123 -1.863 1.00 0.00 O ATOM 1030 CB GLN A 65 3.682 -16.683 -3.362 1.00 0.00 C ATOM 1031 CG GLN A 65 4.196 -18.113 -3.414 1.00 0.00 C ATOM 1032 CD GLN A 65 4.205 -18.679 -4.820 1.00 0.00 C ATOM 1033 OE1 GLN A 65 3.177 -18.704 -5.498 1.00 0.00 O ATOM 1034 NE2 GLN A 65 5.368 -19.137 -5.267 1.00 0.00 N ATOM 0 H GLN A 65 1.432 -14.865 -2.862 1.00 0.00 H new ATOM 0 HA GLN A 65 2.178 -16.846 -4.886 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.328 -16.051 -3.972 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.754 -16.317 -2.338 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.206 -18.147 -3.006 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.574 -18.742 -2.777 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.195 -19.097 -4.671 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.435 -19.529 -6.206 1.00 0.00 H new ATOM 1043 N ASN A 66 0.875 -18.526 -3.616 1.00 0.00 N ATOM 1044 CA ASN A 66 -0.012 -19.462 -2.935 1.00 0.00 C ATOM 1045 C ASN A 66 -1.219 -18.737 -2.345 1.00 0.00 C ATOM 1046 O ASN A 66 -1.647 -19.030 -1.229 1.00 0.00 O ATOM 1047 CB ASN A 66 0.744 -20.200 -1.828 1.00 0.00 C ATOM 1048 CG ASN A 66 2.163 -20.551 -2.233 1.00 0.00 C ATOM 1049 OD1 ASN A 66 3.090 -20.458 -1.428 1.00 0.00 O ATOM 1050 ND2 ASN A 66 2.338 -20.955 -3.485 1.00 0.00 N ATOM 0 H ASN A 66 1.116 -18.792 -4.571 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.368 -20.186 -3.668 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.767 -19.580 -0.932 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.206 -21.112 -1.570 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.271 -21.204 -3.815 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.540 -21.017 -4.117 1.00 0.00 H new ATOM 1057 N ARG A 67 -1.762 -17.790 -3.104 1.00 0.00 N ATOM 1058 CA ARG A 67 -2.918 -17.023 -2.656 1.00 0.00 C ATOM 1059 C ARG A 67 -2.553 -16.126 -1.478 1.00 0.00 C ATOM 1060 O ARG A 67 -3.216 -16.146 -0.441 1.00 0.00 O ATOM 1061 CB ARG A 67 -4.059 -17.963 -2.261 1.00 0.00 C ATOM 1062 CG ARG A 67 -4.372 -19.017 -3.311 1.00 0.00 C ATOM 1063 CD ARG A 67 -5.481 -19.949 -2.851 1.00 0.00 C ATOM 1064 NE ARG A 67 -5.037 -20.846 -1.787 1.00 0.00 N ATOM 1065 CZ ARG A 67 -5.854 -21.646 -1.112 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -7.151 -21.663 -1.390 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -5.375 -22.433 -0.157 1.00 0.00 N ATOM 0 H ARG A 67 -1.420 -17.536 -4.031 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.245 -16.392 -3.482 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.802 -18.460 -1.325 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.956 -17.373 -2.072 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.667 -18.530 -4.240 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.474 -19.596 -3.526 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.327 -19.359 -2.498 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.834 -20.538 -3.698 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.045 -20.858 -1.550 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.523 -21.060 -2.124 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.776 -22.279 -0.870 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.378 -22.424 0.059 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.004 -23.047 0.361 1.00 0.00 H new ATOM 1081 N GLN A 68 -1.494 -15.341 -1.645 1.00 0.00 N ATOM 1082 CA GLN A 68 -1.040 -14.437 -0.594 1.00 0.00 C ATOM 1083 C GLN A 68 -0.867 -13.020 -1.131 1.00 0.00 C ATOM 1084 O GLN A 68 -0.804 -12.809 -2.342 1.00 0.00 O ATOM 1085 CB GLN A 68 0.279 -14.934 0.000 1.00 0.00 C ATOM 1086 CG GLN A 68 0.715 -14.169 1.239 1.00 0.00 C ATOM 1087 CD GLN A 68 -0.377 -14.086 2.288 1.00 0.00 C ATOM 1088 OE1 GLN A 68 -0.645 -12.878 2.769 1.00 0.00 O flip ATOM 1089 NE2 GLN A 68 -0.973 -15.097 2.662 1.00 0.00 N flip ATOM 0 H GLN A 68 -0.934 -15.312 -2.497 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.799 -14.419 0.188 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.180 -15.990 0.251 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.060 -14.859 -0.757 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.592 -14.652 1.670 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.015 -13.161 0.952 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.734 -16.006 2.265 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.705 -15.025 3.369 1.00 0.00 H new ATOM 1098 N ALA A 69 -0.792 -12.054 -0.223 1.00 0.00 N ATOM 1099 CA ALA A 69 -0.625 -10.657 -0.605 1.00 0.00 C ATOM 1100 C ALA A 69 0.442 -9.978 0.247 1.00 0.00 C ATOM 1101 O ALA A 69 0.449 -10.112 1.471 1.00 0.00 O ATOM 1102 CB ALA A 69 -1.948 -9.916 -0.488 1.00 0.00 C ATOM 0 H ALA A 69 -0.844 -12.213 0.783 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.296 -10.627 -1.644 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.808 -8.874 -0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.684 -10.379 -1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.302 -9.963 0.542 1.00 0.00 H new ATOM 1108 N GLN A 70 1.340 -9.249 -0.407 1.00 0.00 N ATOM 1109 CA GLN A 70 2.412 -8.551 0.293 1.00 0.00 C ATOM 1110 C GLN A 70 2.548 -7.118 -0.212 1.00 0.00 C ATOM 1111 O GLN A 70 2.534 -6.871 -1.418 1.00 0.00 O ATOM 1112 CB GLN A 70 3.737 -9.295 0.114 1.00 0.00 C ATOM 1113 CG GLN A 70 4.861 -8.752 0.980 1.00 0.00 C ATOM 1114 CD GLN A 70 5.893 -9.808 1.327 1.00 0.00 C ATOM 1115 OE1 GLN A 70 6.828 -10.053 0.564 1.00 0.00 O ATOM 1116 NE2 GLN A 70 5.728 -10.439 2.483 1.00 0.00 N ATOM 0 H GLN A 70 1.347 -9.126 -1.420 1.00 0.00 H new ATOM 0 HA GLN A 70 2.161 -8.522 1.353 1.00 0.00 H new ATOM 0 HB2 GLN A 70 3.587 -10.349 0.347 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.037 -9.240 -0.933 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.350 -7.929 0.460 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.441 -8.344 1.899 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.938 -10.204 3.084 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.391 -11.159 2.770 1.00 0.00 H new ATOM 1125 N ILE A 71 2.679 -6.178 0.718 1.00 0.00 N ATOM 1126 CA ILE A 71 2.818 -4.770 0.367 1.00 0.00 C ATOM 1127 C ILE A 71 4.069 -4.168 0.997 1.00 0.00 C ATOM 1128 O ILE A 71 4.351 -4.388 2.174 1.00 0.00 O ATOM 1129 CB ILE A 71 1.589 -3.955 0.812 1.00 0.00 C ATOM 1130 CG1 ILE A 71 1.329 -4.158 2.306 1.00 0.00 C ATOM 1131 CG2 ILE A 71 0.367 -4.352 -0.003 1.00 0.00 C ATOM 1132 CD1 ILE A 71 0.189 -3.319 2.840 1.00 0.00 C ATOM 0 H ILE A 71 2.692 -6.366 1.720 1.00 0.00 H new ATOM 0 HA ILE A 71 2.902 -4.722 -0.719 1.00 0.00 H new ATOM 0 HB ILE A 71 1.790 -2.898 0.638 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.112 -5.210 2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.236 -3.919 2.860 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.493 -3.768 0.323 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.556 -4.161 -1.059 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.161 -5.412 0.143 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.061 -3.514 3.905 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.413 -2.263 2.689 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.730 -3.575 2.312 1.00 0.00 H new ATOM 1144 N GLU A 72 4.815 -3.404 0.204 1.00 0.00 N ATOM 1145 CA GLU A 72 6.036 -2.769 0.685 1.00 0.00 C ATOM 1146 C GLU A 72 6.309 -1.472 -0.072 1.00 0.00 C ATOM 1147 O GLU A 72 6.008 -1.358 -1.260 1.00 0.00 O ATOM 1148 CB GLU A 72 7.225 -3.719 0.536 1.00 0.00 C ATOM 1149 CG GLU A 72 8.508 -3.191 1.155 1.00 0.00 C ATOM 1150 CD GLU A 72 9.550 -4.276 1.354 1.00 0.00 C ATOM 1151 OE1 GLU A 72 9.165 -5.462 1.415 1.00 0.00 O ATOM 1152 OE2 GLU A 72 10.748 -3.938 1.449 1.00 0.00 O ATOM 0 H GLU A 72 4.595 -3.210 -0.773 1.00 0.00 H new ATOM 0 HA GLU A 72 5.900 -2.532 1.740 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.976 -4.675 0.997 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.395 -3.911 -0.523 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.920 -2.409 0.517 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.280 -2.730 2.116 1.00 0.00 H new ATOM 1159 N VAL A 73 6.881 -0.496 0.626 1.00 0.00 N ATOM 1160 CA VAL A 73 7.195 0.793 0.021 1.00 0.00 C ATOM 1161 C VAL A 73 8.701 0.972 -0.139 1.00 0.00 C ATOM 1162 O VAL A 73 9.446 0.957 0.841 1.00 0.00 O ATOM 1163 CB VAL A 73 6.637 1.958 0.860 1.00 0.00 C ATOM 1164 CG1 VAL A 73 7.152 3.289 0.335 1.00 0.00 C ATOM 1165 CG2 VAL A 73 5.116 1.929 0.865 1.00 0.00 C ATOM 0 H VAL A 73 7.136 -0.573 1.611 1.00 0.00 H new ATOM 0 HA VAL A 73 6.724 0.805 -0.962 1.00 0.00 H new ATOM 0 HB VAL A 73 6.983 1.842 1.887 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.747 4.100 0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.241 3.305 0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.838 3.418 -0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.738 2.759 1.462 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.747 2.020 -0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.771 0.988 1.293 1.00 0.00 H new ATOM 1175 N VAL A 74 9.142 1.143 -1.381 1.00 0.00 N ATOM 1176 CA VAL A 74 10.559 1.327 -1.670 1.00 0.00 C ATOM 1177 C VAL A 74 10.978 2.779 -1.466 1.00 0.00 C ATOM 1178 O VAL A 74 10.186 3.708 -1.627 1.00 0.00 O ATOM 1179 CB VAL A 74 10.897 0.905 -3.112 1.00 0.00 C ATOM 1180 CG1 VAL A 74 10.523 -0.551 -3.344 1.00 0.00 C ATOM 1181 CG2 VAL A 74 10.193 1.811 -4.111 1.00 0.00 C ATOM 0 H VAL A 74 8.538 1.158 -2.203 1.00 0.00 H new ATOM 0 HA VAL A 74 11.109 0.692 -0.975 1.00 0.00 H new ATOM 0 HB VAL A 74 11.972 1.007 -3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.769 -0.831 -4.368 1.00 0.00 H new ATOM 0 HG12 VAL A 74 11.078 -1.184 -2.651 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.454 -0.683 -3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.443 1.498 -5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.115 1.744 -3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.516 2.841 -3.959 1.00 0.00 H new ATOM 1191 N PRO A 75 12.253 2.981 -1.102 1.00 0.00 N ATOM 1192 CA PRO A 75 12.807 4.319 -0.869 1.00 0.00 C ATOM 1193 C PRO A 75 12.944 5.122 -2.158 1.00 0.00 C ATOM 1194 O PRO A 75 13.471 4.630 -3.155 1.00 0.00 O ATOM 1195 CB PRO A 75 14.185 4.032 -0.269 1.00 0.00 C ATOM 1196 CG PRO A 75 14.546 2.679 -0.778 1.00 0.00 C ATOM 1197 CD PRO A 75 13.252 1.921 -0.892 1.00 0.00 C ATOM 0 HA PRO A 75 12.164 4.921 -0.227 1.00 0.00 H new ATOM 0 HB2 PRO A 75 14.915 4.779 -0.579 1.00 0.00 H new ATOM 0 HB3 PRO A 75 14.154 4.050 0.820 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.046 2.746 -1.744 1.00 0.00 H new ATOM 0 HG3 PRO A 75 15.234 2.177 -0.098 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.271 1.216 -1.723 1.00 0.00 H new ATOM 0 HD3 PRO A 75 13.043 1.345 0.009 1.00 0.00 H new