USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 410 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 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.544 USER MOD Single : A 28 GLN : amide:sc= -4.24 K(o=-4.2,f=-3.7!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 165:sc= -5.26 (180deg=-7.03!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.0169 X(o=-0.017,f=-0.46) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 CYS SG : rot 98:sc= -1.51! USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 58 THR OG1 : rot -90:sc= 0.663 USER MOD Single : A 63 GLN : amide:sc= -0.204 K(o=-0.2,f=-2.2!) USER MOD Single : A 66 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0022) USER MOD ----------------------------------------------------------------- ATOM 288 N LYS A 23 -4.584 4.497 -8.895 1.00 0.00 N ATOM 289 CA LYS A 23 -3.658 5.487 -9.419 1.00 0.00 C ATOM 290 C LYS A 23 -2.365 5.453 -8.601 1.00 0.00 C ATOM 291 O LYS A 23 -2.083 6.378 -7.841 1.00 0.00 O ATOM 292 CB LYS A 23 -4.320 6.866 -9.466 1.00 0.00 C ATOM 293 CG LYS A 23 -4.449 7.363 -10.908 1.00 0.00 C ATOM 294 CD LYS A 23 -3.141 7.991 -11.391 1.00 0.00 C ATOM 295 CE LYS A 23 -2.937 9.377 -10.774 1.00 0.00 C ATOM 296 NZ LYS A 23 -2.461 10.334 -11.797 1.00 0.00 N ATOM 0 HA LYS A 23 -3.390 5.251 -10.449 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.307 6.816 -9.005 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.732 7.576 -8.884 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.720 6.532 -11.560 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.254 8.095 -10.973 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.304 7.345 -11.127 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.151 8.071 -12.478 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.874 9.731 -10.344 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.215 9.317 -9.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.328 11.269 -11.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.557 10.002 -12.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.164 10.404 -12.560 1.00 0.00 H new ATOM 310 N PHE A 24 -1.614 4.378 -8.787 1.00 0.00 N ATOM 311 CA PHE A 24 -0.357 4.212 -8.076 1.00 0.00 C ATOM 312 C PHE A 24 0.717 5.145 -8.637 1.00 0.00 C ATOM 313 O PHE A 24 1.115 5.016 -9.794 1.00 0.00 O ATOM 314 CB PHE A 24 0.085 2.762 -8.283 1.00 0.00 C ATOM 315 CG PHE A 24 -1.065 1.753 -8.277 1.00 0.00 C ATOM 316 CD1 PHE A 24 -1.793 1.559 -7.144 1.00 0.00 C ATOM 317 CD2 PHE A 24 -1.361 1.051 -9.403 1.00 0.00 C ATOM 318 CE1 PHE A 24 -2.861 0.623 -7.138 1.00 0.00 C ATOM 319 CE2 PHE A 24 -2.428 0.115 -9.397 1.00 0.00 C ATOM 320 CZ PHE A 24 -3.156 -0.080 -8.264 1.00 0.00 C ATOM 0 H PHE A 24 -1.851 3.613 -9.419 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.492 4.450 -7.021 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.615 2.687 -9.232 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.794 2.494 -7.500 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.559 2.117 -6.249 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.784 1.206 -10.303 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.439 0.469 -6.239 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.662 -0.443 -10.292 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.968 -0.793 -8.259 1.00 0.00 H new ATOM 330 N THR A 25 1.157 6.065 -7.791 1.00 0.00 N ATOM 331 CA THR A 25 2.178 7.020 -8.187 1.00 0.00 C ATOM 332 C THR A 25 3.570 6.403 -8.044 1.00 0.00 C ATOM 333 O THR A 25 3.731 5.370 -7.395 1.00 0.00 O ATOM 334 CB THR A 25 1.987 8.289 -7.354 1.00 0.00 C ATOM 335 OG1 THR A 25 3.277 8.894 -7.342 1.00 0.00 O ATOM 336 CG2 THR A 25 1.704 7.986 -5.881 1.00 0.00 C ATOM 0 H THR A 25 0.825 6.169 -6.832 1.00 0.00 H new ATOM 0 HA THR A 25 2.082 7.287 -9.239 1.00 0.00 H new ATOM 0 HB THR A 25 1.166 8.874 -7.768 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.244 9.725 -6.824 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.577 8.921 -5.335 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.794 7.392 -5.800 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.540 7.429 -5.457 1.00 0.00 H new ATOM 344 N ALA A 26 4.541 7.061 -8.659 1.00 0.00 N ATOM 345 CA ALA A 26 5.914 6.590 -8.609 1.00 0.00 C ATOM 346 C ALA A 26 6.181 5.958 -7.241 1.00 0.00 C ATOM 347 O ALA A 26 6.900 4.964 -7.143 1.00 0.00 O ATOM 348 CB ALA A 26 6.864 7.751 -8.909 1.00 0.00 C ATOM 0 H ALA A 26 4.404 7.918 -9.195 1.00 0.00 H new ATOM 0 HA ALA A 26 6.085 5.825 -9.366 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.894 7.397 -8.871 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.652 8.147 -9.902 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.723 8.537 -8.167 1.00 0.00 H new ATOM 354 N GLU A 27 5.589 6.559 -6.220 1.00 0.00 N ATOM 355 CA GLU A 27 5.754 6.068 -4.863 1.00 0.00 C ATOM 356 C GLU A 27 5.048 4.720 -4.698 1.00 0.00 C ATOM 357 O GLU A 27 5.701 3.684 -4.579 1.00 0.00 O ATOM 358 CB GLU A 27 5.238 7.085 -3.844 1.00 0.00 C ATOM 359 CG GLU A 27 6.162 7.160 -2.627 1.00 0.00 C ATOM 360 CD GLU A 27 5.608 8.124 -1.576 1.00 0.00 C ATOM 361 OE1 GLU A 27 4.647 7.721 -0.887 1.00 0.00 O ATOM 362 OE2 GLU A 27 6.158 9.243 -1.487 1.00 0.00 O ATOM 0 H GLU A 27 4.994 7.383 -6.306 1.00 0.00 H new ATOM 0 HA GLU A 27 6.818 5.925 -4.676 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.165 8.067 -4.311 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.233 6.808 -3.525 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.276 6.168 -2.191 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.154 7.487 -2.939 1.00 0.00 H new ATOM 369 N GLN A 28 3.725 4.778 -4.694 1.00 0.00 N ATOM 370 CA GLN A 28 2.924 3.575 -4.545 1.00 0.00 C ATOM 371 C GLN A 28 3.342 2.527 -5.579 1.00 0.00 C ATOM 372 O GLN A 28 3.491 1.351 -5.250 1.00 0.00 O ATOM 373 CB GLN A 28 1.431 3.892 -4.659 1.00 0.00 C ATOM 374 CG GLN A 28 1.013 4.941 -3.627 1.00 0.00 C ATOM 375 CD GLN A 28 0.946 4.334 -2.225 1.00 0.00 C ATOM 376 OE1 GLN A 28 -0.107 3.971 -1.727 1.00 0.00 O ATOM 377 NE2 GLN A 28 2.125 4.245 -1.616 1.00 0.00 N ATOM 0 H GLN A 28 3.187 5.639 -4.792 1.00 0.00 H new ATOM 0 HA GLN A 28 3.100 3.166 -3.550 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.208 4.255 -5.662 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.850 2.981 -4.513 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.723 5.768 -3.636 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.040 5.353 -3.896 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.969 4.567 -2.089 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.185 3.854 -0.676 1.00 0.00 H new ATOM 386 N LYS A 29 3.520 2.991 -6.807 1.00 0.00 N ATOM 387 CA LYS A 29 3.918 2.109 -7.890 1.00 0.00 C ATOM 388 C LYS A 29 5.194 1.364 -7.493 1.00 0.00 C ATOM 389 O LYS A 29 5.216 0.135 -7.463 1.00 0.00 O ATOM 390 CB LYS A 29 4.045 2.891 -9.199 1.00 0.00 C ATOM 391 CG LYS A 29 3.325 2.170 -10.341 1.00 0.00 C ATOM 392 CD LYS A 29 3.871 2.613 -11.700 1.00 0.00 C ATOM 393 CE LYS A 29 2.754 3.176 -12.581 1.00 0.00 C ATOM 394 NZ LYS A 29 3.230 3.352 -13.971 1.00 0.00 N ATOM 0 H LYS A 29 3.396 3.967 -7.076 1.00 0.00 H new ATOM 0 HA LYS A 29 3.151 1.356 -8.069 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.626 3.889 -9.073 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.098 3.017 -9.451 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.447 1.093 -10.230 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.256 2.377 -10.290 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.643 3.369 -11.557 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.342 1.767 -12.200 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.897 2.503 -12.566 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.415 4.132 -12.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.460 3.735 -14.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.034 4.012 -13.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.531 2.433 -14.354 1.00 0.00 H new ATOM 408 N GLU A 30 6.226 2.141 -7.197 1.00 0.00 N ATOM 409 CA GLU A 30 7.503 1.570 -6.803 1.00 0.00 C ATOM 410 C GLU A 30 7.350 0.769 -5.509 1.00 0.00 C ATOM 411 O GLU A 30 7.894 -0.328 -5.385 1.00 0.00 O ATOM 412 CB GLU A 30 8.567 2.659 -6.650 1.00 0.00 C ATOM 413 CG GLU A 30 9.059 3.141 -8.017 1.00 0.00 C ATOM 414 CD GLU A 30 10.530 3.556 -7.955 1.00 0.00 C ATOM 415 OE1 GLU A 30 10.796 4.613 -7.344 1.00 0.00 O ATOM 416 OE2 GLU A 30 11.355 2.806 -8.520 1.00 0.00 O ATOM 0 H GLU A 30 6.204 3.160 -7.222 1.00 0.00 H new ATOM 0 HA GLU A 30 7.834 0.892 -7.590 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.155 3.499 -6.091 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.407 2.273 -6.072 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.932 2.348 -8.754 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.453 3.984 -8.349 1.00 0.00 H new ATOM 423 N ARG A 31 6.606 1.347 -4.577 1.00 0.00 N ATOM 424 CA ARG A 31 6.374 0.700 -3.297 1.00 0.00 C ATOM 425 C ARG A 31 5.958 -0.757 -3.506 1.00 0.00 C ATOM 426 O ARG A 31 6.577 -1.668 -2.957 1.00 0.00 O ATOM 427 CB ARG A 31 5.285 1.425 -2.503 1.00 0.00 C ATOM 428 CG ARG A 31 5.787 2.776 -1.991 1.00 0.00 C ATOM 429 CD ARG A 31 6.314 2.658 -0.559 1.00 0.00 C ATOM 430 NE ARG A 31 7.692 2.119 -0.570 1.00 0.00 N ATOM 431 CZ ARG A 31 8.771 2.820 -0.945 1.00 0.00 C ATOM 432 NH1 ARG A 31 8.637 4.093 -1.342 1.00 0.00 N ATOM 433 NH2 ARG A 31 9.982 2.249 -0.923 1.00 0.00 N ATOM 0 H ARG A 31 6.156 2.256 -4.683 1.00 0.00 H new ATOM 0 HA ARG A 31 7.306 0.738 -2.733 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.409 1.574 -3.134 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.971 0.807 -1.662 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.578 3.145 -2.644 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.978 3.506 -2.026 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.301 3.635 -0.076 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.664 2.005 0.024 1.00 0.00 H new ATOM 0 HE ARG A 31 7.829 1.153 -0.273 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.714 4.528 -1.359 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.458 4.627 -1.628 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.084 1.280 -0.621 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.803 2.783 -1.209 1.00 0.00 H new ATOM 447 N MET A 32 4.913 -0.933 -4.301 1.00 0.00 N ATOM 448 CA MET A 32 4.408 -2.265 -4.590 1.00 0.00 C ATOM 449 C MET A 32 5.442 -3.089 -5.360 1.00 0.00 C ATOM 450 O MET A 32 5.681 -4.251 -5.036 1.00 0.00 O ATOM 451 CB MET A 32 3.124 -2.156 -5.415 1.00 0.00 C ATOM 452 CG MET A 32 2.041 -1.396 -4.646 1.00 0.00 C ATOM 453 SD MET A 32 0.492 -1.481 -5.530 1.00 0.00 S ATOM 454 CE MET A 32 0.810 -0.295 -6.826 1.00 0.00 C ATOM 0 H MET A 32 4.402 -0.176 -4.754 1.00 0.00 H new ATOM 0 HA MET A 32 4.202 -2.768 -3.645 1.00 0.00 H new ATOM 0 HB2 MET A 32 3.334 -1.646 -6.355 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.764 -3.153 -5.667 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.924 -1.822 -3.649 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.338 -0.355 -4.515 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.068 -0.411 -7.616 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.751 0.714 -6.418 1.00 0.00 H new ATOM 0 HE3 MET A 32 1.806 -0.463 -7.237 1.00 0.00 H new ATOM 464 N LEU A 33 6.027 -2.454 -6.366 1.00 0.00 N ATOM 465 CA LEU A 33 7.029 -3.114 -7.185 1.00 0.00 C ATOM 466 C LEU A 33 8.120 -3.692 -6.281 1.00 0.00 C ATOM 467 O LEU A 33 8.571 -4.817 -6.488 1.00 0.00 O ATOM 468 CB LEU A 33 7.560 -2.159 -8.255 1.00 0.00 C ATOM 469 CG LEU A 33 6.971 -2.327 -9.657 1.00 0.00 C ATOM 470 CD1 LEU A 33 6.475 -0.989 -10.208 1.00 0.00 C ATOM 471 CD2 LEU A 33 7.975 -2.998 -10.597 1.00 0.00 C ATOM 0 H LEU A 33 5.826 -1.490 -6.632 1.00 0.00 H new ATOM 0 HA LEU A 33 6.587 -3.950 -7.727 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.375 -1.137 -7.925 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.641 -2.283 -8.320 1.00 0.00 H new ATOM 0 HG LEU A 33 6.106 -2.986 -9.587 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.061 -1.137 -11.206 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.703 -0.589 -9.551 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.307 -0.286 -10.261 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.531 -3.105 -11.587 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.874 -2.385 -10.667 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.236 -3.982 -10.208 1.00 0.00 H new ATOM 483 N ALA A 34 8.513 -2.896 -5.297 1.00 0.00 N ATOM 484 CA ALA A 34 9.542 -3.314 -4.361 1.00 0.00 C ATOM 485 C ALA A 34 9.019 -4.484 -3.524 1.00 0.00 C ATOM 486 O ALA A 34 9.773 -5.395 -3.186 1.00 0.00 O ATOM 487 CB ALA A 34 9.963 -2.122 -3.499 1.00 0.00 C ATOM 0 H ALA A 34 8.137 -1.963 -5.128 1.00 0.00 H new ATOM 0 HA ALA A 34 10.428 -3.660 -4.893 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.735 -2.436 -2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.354 -1.331 -4.138 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.100 -1.749 -2.947 1.00 0.00 H new ATOM 493 N LEU A 35 7.733 -4.419 -3.214 1.00 0.00 N ATOM 494 CA LEU A 35 7.101 -5.461 -2.423 1.00 0.00 C ATOM 495 C LEU A 35 7.015 -6.744 -3.252 1.00 0.00 C ATOM 496 O LEU A 35 7.428 -7.810 -2.797 1.00 0.00 O ATOM 497 CB LEU A 35 5.749 -4.983 -1.889 1.00 0.00 C ATOM 498 CG LEU A 35 4.837 -6.065 -1.307 1.00 0.00 C ATOM 499 CD1 LEU A 35 5.490 -6.741 -0.100 1.00 0.00 C ATOM 500 CD2 LEU A 35 3.458 -5.495 -0.968 1.00 0.00 C ATOM 0 H LEU A 35 7.111 -3.661 -3.496 1.00 0.00 H new ATOM 0 HA LEU A 35 7.703 -5.689 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.930 -4.234 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.217 -4.484 -2.699 1.00 0.00 H new ATOM 0 HG LEU A 35 4.690 -6.833 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.821 -7.506 0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.429 -7.203 -0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.686 -5.997 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.829 -6.284 -0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.565 -4.696 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.996 -5.098 -1.872 1.00 0.00 H new ATOM 512 N ALA A 36 6.477 -6.599 -4.454 1.00 0.00 N ATOM 513 CA ALA A 36 6.333 -7.733 -5.351 1.00 0.00 C ATOM 514 C ALA A 36 7.692 -8.413 -5.530 1.00 0.00 C ATOM 515 O ALA A 36 7.787 -9.638 -5.489 1.00 0.00 O ATOM 516 CB ALA A 36 5.738 -7.261 -6.679 1.00 0.00 C ATOM 0 H ALA A 36 6.136 -5.713 -4.828 1.00 0.00 H new ATOM 0 HA ALA A 36 5.649 -8.470 -4.931 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.630 -8.112 -7.352 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.761 -6.813 -6.501 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.399 -6.522 -7.132 1.00 0.00 H new ATOM 522 N GLU A 37 8.709 -7.587 -5.725 1.00 0.00 N ATOM 523 CA GLU A 37 10.059 -8.093 -5.910 1.00 0.00 C ATOM 524 C GLU A 37 10.610 -8.630 -4.588 1.00 0.00 C ATOM 525 O GLU A 37 11.684 -9.230 -4.557 1.00 0.00 O ATOM 526 CB GLU A 37 10.975 -7.013 -6.488 1.00 0.00 C ATOM 527 CG GLU A 37 10.746 -6.847 -7.992 1.00 0.00 C ATOM 528 CD GLU A 37 11.994 -6.287 -8.678 1.00 0.00 C ATOM 529 OE1 GLU A 37 13.015 -7.008 -8.675 1.00 0.00 O ATOM 530 OE2 GLU A 37 11.899 -5.150 -9.189 1.00 0.00 O ATOM 0 H GLU A 37 8.626 -6.571 -5.759 1.00 0.00 H new ATOM 0 HA GLU A 37 10.024 -8.914 -6.626 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.791 -6.066 -5.982 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.016 -7.276 -6.302 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.486 -7.810 -8.432 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.902 -6.179 -8.163 1.00 0.00 H new ATOM 537 N ARG A 38 9.851 -8.395 -3.528 1.00 0.00 N ATOM 538 CA ARG A 38 10.251 -8.848 -2.206 1.00 0.00 C ATOM 539 C ARG A 38 9.521 -10.144 -1.845 1.00 0.00 C ATOM 540 O ARG A 38 10.146 -11.117 -1.428 1.00 0.00 O ATOM 541 CB ARG A 38 9.947 -7.788 -1.146 1.00 0.00 C ATOM 542 CG ARG A 38 9.752 -8.428 0.230 1.00 0.00 C ATOM 543 CD ARG A 38 9.924 -7.395 1.345 1.00 0.00 C ATOM 544 NE ARG A 38 10.622 -8.007 2.498 1.00 0.00 N ATOM 545 CZ ARG A 38 11.936 -8.266 2.530 1.00 0.00 C ATOM 546 NH1 ARG A 38 12.703 -7.968 1.472 1.00 0.00 N ATOM 547 NH2 ARG A 38 12.483 -8.822 3.619 1.00 0.00 N ATOM 0 H ARG A 38 8.961 -7.897 -3.557 1.00 0.00 H new ATOM 0 HA ARG A 38 11.326 -9.027 -2.228 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.763 -7.067 -1.103 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.049 -7.237 -1.425 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.758 -8.872 0.291 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.471 -9.236 0.364 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.493 -6.541 0.977 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.950 -7.019 1.657 1.00 0.00 H new ATOM 0 HE ARG A 38 10.068 -8.247 3.320 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.286 -7.544 0.643 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.704 -8.165 1.496 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.899 -9.048 4.424 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.483 -9.019 3.643 1.00 0.00 H new ATOM 561 N ILE A 39 8.208 -10.113 -2.020 1.00 0.00 N ATOM 562 CA ILE A 39 7.386 -11.273 -1.718 1.00 0.00 C ATOM 563 C ILE A 39 7.425 -12.242 -2.901 1.00 0.00 C ATOM 564 O ILE A 39 7.352 -13.456 -2.716 1.00 0.00 O ATOM 565 CB ILE A 39 5.972 -10.840 -1.324 1.00 0.00 C ATOM 566 CG1 ILE A 39 5.262 -10.157 -2.494 1.00 0.00 C ATOM 567 CG2 ILE A 39 5.997 -9.958 -0.074 1.00 0.00 C ATOM 568 CD1 ILE A 39 3.802 -9.857 -2.150 1.00 0.00 C ATOM 0 H ILE A 39 7.693 -9.304 -2.367 1.00 0.00 H new ATOM 0 HA ILE A 39 7.783 -11.807 -0.855 1.00 0.00 H new ATOM 0 HB ILE A 39 5.398 -11.733 -1.076 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.778 -9.230 -2.746 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.308 -10.797 -3.375 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.980 -9.664 0.184 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.436 -10.514 0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.593 -9.067 -0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.321 -9.372 -2.999 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.283 -10.788 -1.922 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.761 -9.197 -1.283 1.00 0.00 H new ATOM 580 N GLY A 40 7.540 -11.670 -4.090 1.00 0.00 N ATOM 581 CA GLY A 40 7.590 -12.468 -5.304 1.00 0.00 C ATOM 582 C GLY A 40 6.282 -12.354 -6.089 1.00 0.00 C ATOM 583 O GLY A 40 5.859 -13.308 -6.740 1.00 0.00 O ATOM 0 H GLY A 40 7.600 -10.663 -4.239 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.422 -12.138 -5.926 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.776 -13.512 -5.050 1.00 0.00 H new ATOM 587 N TRP A 41 5.677 -11.178 -6.002 1.00 0.00 N ATOM 588 CA TRP A 41 4.426 -10.926 -6.696 1.00 0.00 C ATOM 589 C TRP A 41 3.433 -12.018 -6.291 1.00 0.00 C ATOM 590 O TRP A 41 2.719 -12.557 -7.136 1.00 0.00 O ATOM 591 CB TRP A 41 4.644 -10.848 -8.209 1.00 0.00 C ATOM 592 CG TRP A 41 5.748 -9.876 -8.629 1.00 0.00 C ATOM 593 CD1 TRP A 41 7.061 -9.956 -8.370 1.00 0.00 C ATOM 594 CD2 TRP A 41 5.581 -8.666 -9.397 1.00 0.00 C ATOM 595 NE1 TRP A 41 7.749 -8.890 -8.913 1.00 0.00 N ATOM 596 CE2 TRP A 41 6.821 -8.081 -9.558 1.00 0.00 C ATOM 597 CE3 TRP A 41 4.421 -8.085 -9.939 1.00 0.00 C ATOM 598 CZ2 TRP A 41 7.020 -6.886 -10.259 1.00 0.00 C ATOM 599 CZ3 TRP A 41 4.637 -6.890 -10.637 1.00 0.00 C ATOM 600 CH2 TRP A 41 5.878 -6.289 -10.808 1.00 0.00 C ATOM 0 H TRP A 41 6.031 -10.389 -5.461 1.00 0.00 H new ATOM 0 HA TRP A 41 4.015 -9.958 -6.411 1.00 0.00 H new ATOM 0 HB2 TRP A 41 4.888 -11.843 -8.582 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.710 -10.549 -8.685 1.00 0.00 H new ATOM 0 HD1 TRP A 41 7.522 -10.754 -7.807 1.00 0.00 H new ATOM 0 HE1 TRP A 41 8.754 -8.726 -8.852 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.441 -8.525 -9.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.001 -6.448 -10.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.778 -6.401 -11.073 1.00 0.00 H new ATOM 0 HH2 TRP A 41 5.962 -5.366 -11.362 1.00 0.00 H new ATOM 611 N ARG A 42 3.419 -12.310 -4.999 1.00 0.00 N ATOM 612 CA ARG A 42 2.525 -13.328 -4.472 1.00 0.00 C ATOM 613 C ARG A 42 2.017 -12.921 -3.088 1.00 0.00 C ATOM 614 O ARG A 42 2.709 -12.224 -2.348 1.00 0.00 O ATOM 615 CB ARG A 42 3.230 -14.682 -4.372 1.00 0.00 C ATOM 616 CG ARG A 42 2.254 -15.829 -4.644 1.00 0.00 C ATOM 617 CD ARG A 42 2.754 -17.133 -4.019 1.00 0.00 C ATOM 618 NE ARG A 42 2.832 -18.191 -5.051 1.00 0.00 N ATOM 619 CZ ARG A 42 3.159 -19.466 -4.797 1.00 0.00 C ATOM 620 NH1 ARG A 42 3.440 -19.848 -3.544 1.00 0.00 N ATOM 621 NH2 ARG A 42 3.204 -20.358 -5.796 1.00 0.00 N ATOM 0 H ARG A 42 4.012 -11.860 -4.302 1.00 0.00 H new ATOM 0 HA ARG A 42 1.684 -13.420 -5.159 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.052 -14.722 -5.087 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.665 -14.797 -3.379 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.273 -15.580 -4.239 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.132 -15.960 -5.719 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.735 -16.978 -3.570 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.083 -17.443 -3.218 1.00 0.00 H new ATOM 0 HE ARG A 42 2.624 -17.934 -6.016 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.405 -19.169 -2.784 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.689 -20.818 -3.350 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.989 -20.067 -6.750 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.453 -21.328 -5.603 1.00 0.00 H new ATOM 635 N ILE A 43 0.811 -13.375 -2.778 1.00 0.00 N ATOM 636 CA ILE A 43 0.202 -13.068 -1.495 1.00 0.00 C ATOM 637 C ILE A 43 -0.202 -14.371 -0.802 1.00 0.00 C ATOM 638 O ILE A 43 -0.801 -15.248 -1.422 1.00 0.00 O ATOM 639 CB ILE A 43 -0.955 -12.083 -1.674 1.00 0.00 C ATOM 640 CG1 ILE A 43 -0.436 -10.682 -2.005 1.00 0.00 C ATOM 641 CG2 ILE A 43 -1.868 -12.080 -0.446 1.00 0.00 C ATOM 642 CD1 ILE A 43 -0.590 -10.378 -3.496 1.00 0.00 C ATOM 0 H ILE A 43 0.239 -13.953 -3.394 1.00 0.00 H new ATOM 0 HA ILE A 43 0.918 -12.568 -0.843 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.556 -12.413 -2.521 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.982 -9.941 -1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.613 -10.602 -1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.682 -11.371 -0.599 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.279 -13.078 -0.296 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.294 -11.788 0.433 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.214 -9.376 -3.704 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.023 -11.106 -4.076 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.643 -10.434 -3.772 1.00 0.00 H new ATOM 654 N GLN A 44 0.143 -14.456 0.474 1.00 0.00 N ATOM 655 CA GLN A 44 -0.175 -15.637 1.258 1.00 0.00 C ATOM 656 C GLN A 44 -0.385 -15.259 2.726 1.00 0.00 C ATOM 657 O GLN A 44 -0.159 -14.114 3.114 1.00 0.00 O ATOM 658 CB GLN A 44 0.916 -16.700 1.116 1.00 0.00 C ATOM 659 CG GLN A 44 0.761 -17.472 -0.195 1.00 0.00 C ATOM 660 CD GLN A 44 1.117 -18.949 -0.008 1.00 0.00 C ATOM 661 OE1 GLN A 44 2.269 -19.321 0.144 1.00 0.00 O ATOM 662 NE2 GLN A 44 0.068 -19.765 -0.028 1.00 0.00 N ATOM 0 H GLN A 44 0.640 -13.726 0.985 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.103 -16.063 0.877 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.897 -16.226 1.149 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.867 -17.391 1.957 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.265 -17.384 -0.554 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.404 -17.033 -0.958 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.870 -19.387 -0.159 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.201 -20.770 0.088 1.00 0.00 H new ATOM 671 N ARG A 45 -0.814 -16.243 3.502 1.00 0.00 N ATOM 672 CA ARG A 45 -1.056 -16.028 4.919 1.00 0.00 C ATOM 673 C ARG A 45 0.246 -15.651 5.629 1.00 0.00 C ATOM 674 O ARG A 45 0.221 -15.142 6.748 1.00 0.00 O ATOM 675 CB ARG A 45 -1.642 -17.281 5.574 1.00 0.00 C ATOM 676 CG ARG A 45 -0.712 -18.482 5.388 1.00 0.00 C ATOM 677 CD ARG A 45 0.071 -18.773 6.670 1.00 0.00 C ATOM 678 NE ARG A 45 0.747 -20.085 6.564 1.00 0.00 N ATOM 679 CZ ARG A 45 0.119 -21.264 6.666 1.00 0.00 C ATOM 680 NH1 ARG A 45 -1.204 -21.302 6.878 1.00 0.00 N ATOM 681 NH2 ARG A 45 0.813 -22.405 6.557 1.00 0.00 N ATOM 0 H ARG A 45 -1.000 -17.192 3.177 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.774 -15.213 5.013 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.800 -17.100 6.637 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.617 -17.501 5.140 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.296 -19.359 5.107 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.018 -18.286 4.570 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.808 -17.988 6.842 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.603 -18.770 7.526 1.00 0.00 H new ATOM 0 HE ARG A 45 1.754 -20.092 6.403 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.732 -20.433 6.962 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.682 -22.199 6.956 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.820 -22.376 6.396 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.334 -23.302 6.635 1.00 0.00 H new ATOM 695 N GLN A 46 1.351 -15.915 4.948 1.00 0.00 N ATOM 696 CA GLN A 46 2.660 -15.609 5.500 1.00 0.00 C ATOM 697 C GLN A 46 2.993 -14.131 5.290 1.00 0.00 C ATOM 698 O GLN A 46 3.271 -13.411 6.248 1.00 0.00 O ATOM 699 CB GLN A 46 3.737 -16.506 4.885 1.00 0.00 C ATOM 700 CG GLN A 46 3.566 -17.957 5.338 1.00 0.00 C ATOM 701 CD GLN A 46 4.471 -18.270 6.532 1.00 0.00 C ATOM 702 OE1 GLN A 46 4.347 -17.701 7.603 1.00 0.00 O ATOM 703 NE2 GLN A 46 5.386 -19.203 6.287 1.00 0.00 N ATOM 0 H GLN A 46 1.367 -16.337 4.020 1.00 0.00 H new ATOM 0 HA GLN A 46 2.636 -15.807 6.572 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.683 -16.452 3.798 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.724 -16.145 5.173 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.526 -18.137 5.609 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.801 -18.629 4.513 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.435 -19.640 5.367 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.039 -19.482 7.019 1.00 0.00 H new ATOM 712 N ASP A 47 2.953 -13.721 4.030 1.00 0.00 N ATOM 713 CA ASP A 47 3.247 -12.341 3.683 1.00 0.00 C ATOM 714 C ASP A 47 2.119 -11.441 4.191 1.00 0.00 C ATOM 715 O ASP A 47 2.266 -10.220 4.235 1.00 0.00 O ATOM 716 CB ASP A 47 3.345 -12.164 2.166 1.00 0.00 C ATOM 717 CG ASP A 47 4.315 -13.118 1.466 1.00 0.00 C ATOM 718 OD1 ASP A 47 3.917 -14.287 1.266 1.00 0.00 O ATOM 719 OD2 ASP A 47 5.432 -12.658 1.145 1.00 0.00 O ATOM 0 H ASP A 47 2.722 -14.320 3.238 1.00 0.00 H new ATOM 0 HA ASP A 47 4.200 -12.074 4.140 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.353 -12.297 1.735 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.650 -11.139 1.954 1.00 0.00 H new ATOM 724 N ASP A 48 1.019 -12.078 4.563 1.00 0.00 N ATOM 725 CA ASP A 48 -0.133 -11.349 5.067 1.00 0.00 C ATOM 726 C ASP A 48 0.344 -10.213 5.974 1.00 0.00 C ATOM 727 O ASP A 48 -0.123 -9.081 5.855 1.00 0.00 O ATOM 728 CB ASP A 48 -1.044 -12.261 5.891 1.00 0.00 C ATOM 729 CG ASP A 48 -2.529 -12.192 5.528 1.00 0.00 C ATOM 730 OD1 ASP A 48 -3.008 -11.057 5.312 1.00 0.00 O ATOM 731 OD2 ASP A 48 -3.151 -13.274 5.474 1.00 0.00 O ATOM 0 H ASP A 48 0.901 -13.090 4.526 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.687 -10.962 4.212 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.704 -13.290 5.774 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.931 -12.006 6.945 1.00 0.00 H new ATOM 736 N GLU A 49 1.267 -10.555 6.861 1.00 0.00 N ATOM 737 CA GLU A 49 1.813 -9.578 7.788 1.00 0.00 C ATOM 738 C GLU A 49 2.420 -8.400 7.021 1.00 0.00 C ATOM 739 O GLU A 49 2.165 -7.243 7.351 1.00 0.00 O ATOM 740 CB GLU A 49 2.846 -10.219 8.715 1.00 0.00 C ATOM 741 CG GLU A 49 3.730 -9.156 9.371 1.00 0.00 C ATOM 742 CD GLU A 49 4.282 -9.650 10.709 1.00 0.00 C ATOM 743 OE1 GLU A 49 5.212 -10.484 10.666 1.00 0.00 O ATOM 744 OE2 GLU A 49 3.761 -9.184 11.745 1.00 0.00 O ATOM 0 H GLU A 49 1.651 -11.495 6.957 1.00 0.00 H new ATOM 0 HA GLU A 49 1.000 -9.202 8.409 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.338 -10.800 9.485 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.466 -10.914 8.149 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.555 -8.902 8.705 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.154 -8.244 9.526 1.00 0.00 H new ATOM 751 N VAL A 50 3.210 -8.737 6.013 1.00 0.00 N ATOM 752 CA VAL A 50 3.856 -7.722 5.197 1.00 0.00 C ATOM 753 C VAL A 50 2.800 -7.006 4.352 1.00 0.00 C ATOM 754 O VAL A 50 2.869 -5.792 4.164 1.00 0.00 O ATOM 755 CB VAL A 50 4.966 -8.355 4.356 1.00 0.00 C ATOM 756 CG1 VAL A 50 5.920 -7.287 3.815 1.00 0.00 C ATOM 757 CG2 VAL A 50 5.726 -9.413 5.158 1.00 0.00 C ATOM 0 H VAL A 50 3.418 -9.698 5.742 1.00 0.00 H new ATOM 0 HA VAL A 50 4.333 -6.971 5.827 1.00 0.00 H new ATOM 0 HB VAL A 50 4.500 -8.851 3.505 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.700 -7.763 3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.365 -6.586 3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.375 -6.750 4.647 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.509 -9.847 4.537 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.175 -8.950 6.037 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.036 -10.196 5.472 1.00 0.00 H new ATOM 767 N ILE A 51 1.847 -7.788 3.866 1.00 0.00 N ATOM 768 CA ILE A 51 0.779 -7.243 3.046 1.00 0.00 C ATOM 769 C ILE A 51 -0.042 -6.254 3.875 1.00 0.00 C ATOM 770 O ILE A 51 -0.120 -5.073 3.541 1.00 0.00 O ATOM 771 CB ILE A 51 -0.054 -8.371 2.433 1.00 0.00 C ATOM 772 CG1 ILE A 51 0.836 -9.366 1.685 1.00 0.00 C ATOM 773 CG2 ILE A 51 -1.164 -7.812 1.541 1.00 0.00 C ATOM 774 CD1 ILE A 51 1.080 -8.909 0.245 1.00 0.00 C ATOM 0 H ILE A 51 1.792 -8.794 4.024 1.00 0.00 H new ATOM 0 HA ILE A 51 1.192 -6.687 2.204 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.537 -8.917 3.243 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.789 -9.469 2.204 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.366 -10.350 1.683 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.740 -8.635 1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.821 -7.176 2.134 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.723 -7.227 0.734 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.715 -9.634 -0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.127 -8.831 -0.278 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.572 -7.936 0.250 1.00 0.00 H new ATOM 786 N GLN A 52 -0.634 -6.773 4.941 1.00 0.00 N ATOM 787 CA GLN A 52 -1.446 -5.950 5.821 1.00 0.00 C ATOM 788 C GLN A 52 -0.608 -4.813 6.408 1.00 0.00 C ATOM 789 O GLN A 52 -1.144 -3.774 6.790 1.00 0.00 O ATOM 790 CB GLN A 52 -2.080 -6.793 6.930 1.00 0.00 C ATOM 791 CG GLN A 52 -2.942 -7.912 6.343 1.00 0.00 C ATOM 792 CD GLN A 52 -4.111 -8.248 7.272 1.00 0.00 C ATOM 793 OE1 GLN A 52 -3.985 -9.003 8.222 1.00 0.00 O ATOM 794 NE2 GLN A 52 -5.251 -7.646 6.947 1.00 0.00 N ATOM 0 H GLN A 52 -0.567 -7.753 5.215 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.254 -5.514 5.234 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.299 -7.222 7.557 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.690 -6.157 7.571 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.323 -7.609 5.368 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.332 -8.801 6.184 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.288 -7.025 6.138 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.089 -7.805 7.506 1.00 0.00 H new ATOM 803 N ARG A 53 0.695 -5.048 6.462 1.00 0.00 N ATOM 804 CA ARG A 53 1.613 -4.056 6.996 1.00 0.00 C ATOM 805 C ARG A 53 1.936 -3.005 5.932 1.00 0.00 C ATOM 806 O ARG A 53 2.106 -1.829 6.248 1.00 0.00 O ATOM 807 CB ARG A 53 2.914 -4.708 7.470 1.00 0.00 C ATOM 808 CG ARG A 53 3.969 -3.651 7.799 1.00 0.00 C ATOM 809 CD ARG A 53 3.536 -2.798 8.994 1.00 0.00 C ATOM 810 NE ARG A 53 4.699 -2.062 9.538 1.00 0.00 N ATOM 811 CZ ARG A 53 5.179 -0.924 9.016 1.00 0.00 C ATOM 812 NH1 ARG A 53 4.599 -0.386 7.935 1.00 0.00 N ATOM 813 NH2 ARG A 53 6.239 -0.325 9.576 1.00 0.00 N ATOM 0 H ARG A 53 1.137 -5.911 6.145 1.00 0.00 H new ATOM 0 HA ARG A 53 1.127 -3.579 7.847 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.719 -5.319 8.352 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.293 -5.376 6.697 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.919 -4.137 8.020 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.132 -3.012 6.931 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.761 -2.095 8.688 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.103 -3.433 9.767 1.00 0.00 H new ATOM 0 HE ARG A 53 5.164 -2.444 10.361 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.792 -0.842 7.509 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.964 0.480 7.538 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.680 -0.735 10.399 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.604 0.541 9.179 1.00 0.00 H new ATOM 827 N PHE A 54 2.012 -3.467 4.693 1.00 0.00 N ATOM 828 CA PHE A 54 2.312 -2.582 3.580 1.00 0.00 C ATOM 829 C PHE A 54 1.194 -1.557 3.379 1.00 0.00 C ATOM 830 O PHE A 54 1.440 -0.449 2.906 1.00 0.00 O ATOM 831 CB PHE A 54 2.418 -3.455 2.329 1.00 0.00 C ATOM 832 CG PHE A 54 2.522 -2.663 1.024 1.00 0.00 C ATOM 833 CD1 PHE A 54 3.722 -2.160 0.628 1.00 0.00 C ATOM 834 CD2 PHE A 54 1.415 -2.462 0.260 1.00 0.00 C ATOM 835 CE1 PHE A 54 3.819 -1.425 -0.583 1.00 0.00 C ATOM 836 CE2 PHE A 54 1.512 -1.727 -0.951 1.00 0.00 C ATOM 837 CZ PHE A 54 2.712 -1.224 -1.347 1.00 0.00 C ATOM 0 H PHE A 54 1.871 -4.444 4.435 1.00 0.00 H new ATOM 0 HA PHE A 54 3.237 -2.039 3.776 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.292 -4.100 2.421 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.546 -4.106 2.278 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.601 -2.320 1.235 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.462 -2.861 0.574 1.00 0.00 H new ATOM 0 HE1 PHE A 54 4.772 -1.026 -0.897 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.633 -1.567 -1.558 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.786 -0.665 -2.268 1.00 0.00 H new ATOM 847 N CYS A 55 -0.012 -1.963 3.749 1.00 0.00 N ATOM 848 CA CYS A 55 -1.169 -1.094 3.615 1.00 0.00 C ATOM 849 C CYS A 55 -1.115 -0.047 4.729 1.00 0.00 C ATOM 850 O CYS A 55 -1.902 0.897 4.737 1.00 0.00 O ATOM 851 CB CYS A 55 -2.478 -1.886 3.639 1.00 0.00 C ATOM 852 SG CYS A 55 -3.890 -0.771 3.308 1.00 0.00 S ATOM 0 H CYS A 55 -0.213 -2.883 4.142 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.141 -0.595 2.647 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.447 -2.679 2.891 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.604 -2.367 4.609 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.228 -0.859 2.056 1.00 0.00 H new ATOM 858 N GLN A 56 -0.177 -0.250 5.643 1.00 0.00 N ATOM 859 CA GLN A 56 -0.010 0.664 6.760 1.00 0.00 C ATOM 860 C GLN A 56 1.004 1.754 6.406 1.00 0.00 C ATOM 861 O GLN A 56 1.006 2.825 7.012 1.00 0.00 O ATOM 862 CB GLN A 56 0.410 -0.086 8.025 1.00 0.00 C ATOM 863 CG GLN A 56 -0.619 -1.156 8.396 1.00 0.00 C ATOM 864 CD GLN A 56 -1.204 -0.895 9.786 1.00 0.00 C ATOM 865 OE1 GLN A 56 -1.589 0.211 10.128 1.00 0.00 O ATOM 866 NE2 GLN A 56 -1.248 -1.973 10.565 1.00 0.00 N ATOM 0 H GLN A 56 0.475 -1.034 5.633 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.970 1.139 6.962 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.384 -0.551 7.870 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.521 0.618 8.850 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.420 -1.167 7.657 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.150 -2.140 8.374 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.909 -2.869 10.215 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.621 -1.903 11.512 1.00 0.00 H new ATOM 875 N GLU A 57 1.841 1.444 5.427 1.00 0.00 N ATOM 876 CA GLU A 57 2.857 2.383 4.986 1.00 0.00 C ATOM 877 C GLU A 57 2.396 3.108 3.719 1.00 0.00 C ATOM 878 O GLU A 57 2.567 4.320 3.596 1.00 0.00 O ATOM 879 CB GLU A 57 4.195 1.677 4.756 1.00 0.00 C ATOM 880 CG GLU A 57 4.082 0.640 3.637 1.00 0.00 C ATOM 881 CD GLU A 57 5.429 -0.040 3.382 1.00 0.00 C ATOM 882 OE1 GLU A 57 5.888 -0.753 4.300 1.00 0.00 O ATOM 883 OE2 GLU A 57 5.969 0.169 2.274 1.00 0.00 O ATOM 0 H GLU A 57 1.836 0.555 4.927 1.00 0.00 H new ATOM 0 HA GLU A 57 3.005 3.123 5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.959 2.412 4.500 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.517 1.190 5.677 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.337 -0.109 3.905 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.735 1.122 2.723 1.00 0.00 H new ATOM 890 N THR A 58 1.820 2.336 2.810 1.00 0.00 N ATOM 891 CA THR A 58 1.333 2.889 1.558 1.00 0.00 C ATOM 892 C THR A 58 -0.136 3.297 1.691 1.00 0.00 C ATOM 893 O THR A 58 -0.487 4.451 1.450 1.00 0.00 O ATOM 894 CB THR A 58 1.580 1.856 0.457 1.00 0.00 C ATOM 895 OG1 THR A 58 0.890 0.694 0.910 1.00 0.00 O ATOM 896 CG2 THR A 58 3.043 1.415 0.384 1.00 0.00 C ATOM 0 H THR A 58 1.679 1.331 2.916 1.00 0.00 H new ATOM 0 HA THR A 58 1.868 3.801 1.293 1.00 0.00 H new ATOM 0 HB THR A 58 1.278 2.272 -0.504 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.496 0.142 1.447 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.163 0.682 -0.414 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.674 2.280 0.180 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.336 0.969 1.334 1.00 0.00 H new ATOM 904 N GLY A 59 -0.954 2.327 2.073 1.00 0.00 N ATOM 905 CA GLY A 59 -2.376 2.571 2.240 1.00 0.00 C ATOM 906 C GLY A 59 -3.188 1.832 1.174 1.00 0.00 C ATOM 907 O GLY A 59 -4.416 1.904 1.163 1.00 0.00 O ATOM 0 H GLY A 59 -0.659 1.371 2.271 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.690 2.246 3.232 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.575 3.641 2.177 1.00 0.00 H new ATOM 911 N VAL A 60 -2.470 1.138 0.304 1.00 0.00 N ATOM 912 CA VAL A 60 -3.108 0.387 -0.764 1.00 0.00 C ATOM 913 C VAL A 60 -3.766 -0.864 -0.178 1.00 0.00 C ATOM 914 O VAL A 60 -3.207 -1.505 0.710 1.00 0.00 O ATOM 915 CB VAL A 60 -2.090 0.070 -1.861 1.00 0.00 C ATOM 916 CG1 VAL A 60 -2.692 -0.865 -2.913 1.00 0.00 C ATOM 917 CG2 VAL A 60 -1.562 1.353 -2.506 1.00 0.00 C ATOM 0 H VAL A 60 -1.452 1.080 0.317 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.895 0.979 -1.231 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.247 -0.444 -1.398 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.948 -1.075 -3.682 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.997 -1.798 -2.439 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.560 -0.389 -3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.840 1.100 -3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.391 1.906 -2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.078 1.969 -1.748 1.00 0.00 H new ATOM 927 N PRO A 61 -4.974 -1.182 -0.714 1.00 0.00 N ATOM 928 CA PRO A 61 -5.714 -2.345 -0.254 1.00 0.00 C ATOM 929 C PRO A 61 -5.096 -3.637 -0.795 1.00 0.00 C ATOM 930 O PRO A 61 -4.643 -3.682 -1.937 1.00 0.00 O ATOM 931 CB PRO A 61 -7.138 -2.122 -0.736 1.00 0.00 C ATOM 932 CG PRO A 61 -7.046 -1.080 -1.839 1.00 0.00 C ATOM 933 CD PRO A 61 -5.667 -0.446 -1.768 1.00 0.00 C ATOM 0 HA PRO A 61 -5.688 -2.458 0.830 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.574 -3.049 -1.110 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.776 -1.775 0.077 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.204 -1.541 -2.814 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.821 -0.323 -1.715 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.143 -0.530 -2.720 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.731 0.616 -1.533 1.00 0.00 H new ATOM 941 N ARG A 62 -5.097 -4.655 0.053 1.00 0.00 N ATOM 942 CA ARG A 62 -4.543 -5.944 -0.325 1.00 0.00 C ATOM 943 C ARG A 62 -5.173 -6.431 -1.631 1.00 0.00 C ATOM 944 O ARG A 62 -4.467 -6.844 -2.549 1.00 0.00 O ATOM 945 CB ARG A 62 -4.780 -6.988 0.768 1.00 0.00 C ATOM 946 CG ARG A 62 -4.279 -8.365 0.329 1.00 0.00 C ATOM 947 CD ARG A 62 -4.187 -9.320 1.521 1.00 0.00 C ATOM 948 NE ARG A 62 -5.351 -10.235 1.527 1.00 0.00 N ATOM 949 CZ ARG A 62 -5.436 -11.337 2.284 1.00 0.00 C ATOM 950 NH1 ARG A 62 -4.426 -11.669 3.100 1.00 0.00 N ATOM 951 NH2 ARG A 62 -6.530 -12.108 2.225 1.00 0.00 N ATOM 0 H ARG A 62 -5.473 -4.613 1.000 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.469 -5.815 -0.462 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.269 -6.685 1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.844 -7.041 1.001 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.952 -8.779 -0.422 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.300 -8.267 -0.140 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.262 -9.895 1.467 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.155 -8.752 2.451 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.137 -10.012 0.917 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.593 -11.083 3.145 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.491 -12.508 3.676 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.299 -11.856 1.604 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.594 -12.947 2.802 1.00 0.00 H new ATOM 965 N GLN A 63 -6.496 -6.365 -1.673 1.00 0.00 N ATOM 966 CA GLN A 63 -7.229 -6.794 -2.852 1.00 0.00 C ATOM 967 C GLN A 63 -6.680 -6.101 -4.100 1.00 0.00 C ATOM 968 O GLN A 63 -6.709 -6.667 -5.192 1.00 0.00 O ATOM 969 CB GLN A 63 -8.728 -6.529 -2.692 1.00 0.00 C ATOM 970 CG GLN A 63 -9.532 -7.261 -3.768 1.00 0.00 C ATOM 971 CD GLN A 63 -10.758 -6.446 -4.185 1.00 0.00 C ATOM 972 OE1 GLN A 63 -10.810 -5.236 -4.039 1.00 0.00 O ATOM 973 NE2 GLN A 63 -11.739 -7.175 -4.710 1.00 0.00 N ATOM 0 H GLN A 63 -7.079 -6.021 -0.910 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.094 -7.869 -2.969 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.055 -6.854 -1.704 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -8.920 -5.458 -2.755 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.900 -7.445 -4.637 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.848 -8.234 -3.392 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -11.630 -8.185 -4.804 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.600 -6.724 -5.019 1.00 0.00 H new ATOM 982 N VAL A 64 -6.193 -4.886 -3.897 1.00 0.00 N ATOM 983 CA VAL A 64 -5.638 -4.110 -4.993 1.00 0.00 C ATOM 984 C VAL A 64 -4.250 -4.649 -5.343 1.00 0.00 C ATOM 985 O VAL A 64 -4.025 -5.119 -6.457 1.00 0.00 O ATOM 986 CB VAL A 64 -5.628 -2.624 -4.629 1.00 0.00 C ATOM 987 CG1 VAL A 64 -4.431 -1.912 -5.263 1.00 0.00 C ATOM 988 CG2 VAL A 64 -6.942 -1.951 -5.032 1.00 0.00 C ATOM 0 H VAL A 64 -6.171 -4.420 -2.990 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.259 -4.209 -5.884 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.530 -2.546 -3.546 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.448 -0.857 -4.988 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.507 -2.365 -4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.485 -2.005 -6.348 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -6.908 -0.896 -4.762 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.084 -2.046 -6.109 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.771 -2.432 -4.513 1.00 0.00 H new ATOM 998 N LEU A 65 -3.354 -4.563 -4.370 1.00 0.00 N ATOM 999 CA LEU A 65 -1.994 -5.037 -4.561 1.00 0.00 C ATOM 1000 C LEU A 65 -2.027 -6.483 -5.061 1.00 0.00 C ATOM 1001 O LEU A 65 -1.171 -6.893 -5.843 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.176 -4.848 -3.282 1.00 0.00 C ATOM 1003 CG LEU A 65 0.280 -5.313 -3.342 1.00 0.00 C ATOM 1004 CD1 LEU A 65 0.364 -6.824 -3.564 1.00 0.00 C ATOM 1005 CD2 LEU A 65 1.061 -4.534 -4.403 1.00 0.00 C ATOM 0 H LEU A 65 -3.544 -4.172 -3.447 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.489 -4.446 -5.325 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.188 -3.790 -3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.674 -5.383 -2.473 1.00 0.00 H new ATOM 0 HG LEU A 65 0.746 -5.102 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.410 -7.128 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.134 -7.341 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.124 -7.081 -4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.093 -4.884 -4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.604 -4.691 -5.380 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.043 -3.471 -4.161 1.00 0.00 H new ATOM 1017 N LYS A 66 -3.025 -7.215 -4.589 1.00 0.00 N ATOM 1018 CA LYS A 66 -3.182 -8.607 -4.979 1.00 0.00 C ATOM 1019 C LYS A 66 -3.331 -8.692 -6.499 1.00 0.00 C ATOM 1020 O LYS A 66 -2.416 -9.134 -7.193 1.00 0.00 O ATOM 1021 CB LYS A 66 -4.337 -9.252 -4.210 1.00 0.00 C ATOM 1022 CG LYS A 66 -4.426 -10.749 -4.510 1.00 0.00 C ATOM 1023 CD LYS A 66 -4.417 -11.569 -3.218 1.00 0.00 C ATOM 1024 CE LYS A 66 -5.107 -12.919 -3.421 1.00 0.00 C ATOM 1025 NZ LYS A 66 -4.300 -13.786 -4.308 1.00 0.00 N ATOM 0 H LYS A 66 -3.733 -6.871 -3.940 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.294 -9.180 -4.713 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.196 -9.100 -3.140 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.275 -8.767 -4.481 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.337 -10.958 -5.071 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.588 -11.048 -5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.389 -11.727 -2.891 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.922 -11.014 -2.427 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.252 -13.408 -2.458 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.096 -12.767 -3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.775 -14.704 -4.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.198 -13.332 -5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.359 -13.932 -3.889 1.00 0.00 H new ATOM 1039 N VAL A 67 -4.492 -8.263 -6.973 1.00 0.00 N ATOM 1040 CA VAL A 67 -4.772 -8.286 -8.398 1.00 0.00 C ATOM 1041 C VAL A 67 -3.719 -7.456 -9.135 1.00 0.00 C ATOM 1042 O VAL A 67 -3.322 -7.796 -10.248 1.00 0.00 O ATOM 1043 CB VAL A 67 -6.201 -7.804 -8.658 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -6.536 -7.859 -10.150 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -7.210 -8.614 -7.840 1.00 0.00 C ATOM 0 H VAL A 67 -5.249 -7.898 -6.395 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.710 -9.304 -8.782 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.267 -6.764 -8.338 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.557 -7.511 -10.307 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.846 -7.220 -10.702 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.444 -8.885 -10.506 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.218 -8.251 -8.043 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.141 -9.666 -8.116 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.991 -8.502 -6.778 1.00 0.00 H new ATOM 1055 N TRP A 68 -3.296 -6.382 -8.483 1.00 0.00 N ATOM 1056 CA TRP A 68 -2.297 -5.501 -9.062 1.00 0.00 C ATOM 1057 C TRP A 68 -1.220 -6.370 -9.715 1.00 0.00 C ATOM 1058 O TRP A 68 -0.932 -6.222 -10.901 1.00 0.00 O ATOM 1059 CB TRP A 68 -1.735 -4.543 -8.010 1.00 0.00 C ATOM 1060 CG TRP A 68 -0.661 -3.593 -8.543 1.00 0.00 C ATOM 1061 CD1 TRP A 68 -0.829 -2.498 -9.298 1.00 0.00 C ATOM 1062 CD2 TRP A 68 0.763 -3.698 -8.330 1.00 0.00 C ATOM 1063 NE1 TRP A 68 0.378 -1.893 -9.586 1.00 0.00 N ATOM 1064 CE2 TRP A 68 1.376 -2.645 -8.979 1.00 0.00 C ATOM 1065 CE3 TRP A 68 1.508 -4.650 -7.613 1.00 0.00 C ATOM 1066 CZ2 TRP A 68 2.762 -2.445 -8.975 1.00 0.00 C ATOM 1067 CZ3 TRP A 68 2.891 -4.436 -7.619 1.00 0.00 C ATOM 1068 CH2 TRP A 68 3.524 -3.382 -8.267 1.00 0.00 C ATOM 0 H TRP A 68 -3.627 -6.103 -7.560 1.00 0.00 H new ATOM 0 HA TRP A 68 -2.742 -4.865 -9.827 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.553 -3.954 -7.596 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -1.315 -5.126 -7.190 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -1.788 -2.135 -9.638 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.512 -1.049 -10.142 1.00 0.00 H new ATOM 0 HE3 TRP A 68 1.049 -5.481 -7.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 3.218 -1.613 -9.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 3.510 -5.140 -7.082 1.00 0.00 H new ATOM 0 HH2 TRP A 68 4.599 -3.286 -8.225 1.00 0.00 H new ATOM 1079 N LEU A 69 -0.655 -7.259 -8.910 1.00 0.00 N ATOM 1080 CA LEU A 69 0.383 -8.153 -9.395 1.00 0.00 C ATOM 1081 C LEU A 69 -0.121 -8.886 -10.639 1.00 0.00 C ATOM 1082 O LEU A 69 0.481 -8.789 -11.708 1.00 0.00 O ATOM 1083 CB LEU A 69 0.850 -9.087 -8.277 1.00 0.00 C ATOM 1084 CG LEU A 69 1.267 -8.412 -6.968 1.00 0.00 C ATOM 1085 CD1 LEU A 69 0.916 -9.288 -5.764 1.00 0.00 C ATOM 1086 CD2 LEU A 69 2.750 -8.039 -6.993 1.00 0.00 C ATOM 0 H LEU A 69 -0.896 -7.379 -7.926 1.00 0.00 H new ATOM 0 HA LEU A 69 1.265 -7.586 -9.695 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.047 -9.791 -8.060 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.693 -9.670 -8.647 1.00 0.00 H new ATOM 0 HG LEU A 69 0.703 -7.485 -6.866 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.223 -8.785 -4.847 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.160 -9.460 -5.741 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.435 -10.243 -5.845 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.021 -7.561 -6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.349 -8.939 -7.129 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.938 -7.350 -7.817 1.00 0.00 H new