USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=4 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= -0.875! USER MOD Single : A 28 GLN : amide:sc= -6.75! C(o=-6.8!,f=-6.3!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 153:sc= -6.48! (180deg=-9.45!) USER MOD Single : A 44 GLN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.287 K(o=-0.29,f=-2.5!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 CYS SG : rot 105:sc= -0.18 USER MOD Single : A 56 GLN : amide:sc= -4.37! C(o=-4.4!,f=-4.9!) USER MOD Single : A 58 THR OG1 : rot -134:sc= 0.177 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 288 N LYS A 23 -5.123 4.635 -8.495 1.00 0.00 N ATOM 289 CA LYS A 23 -4.282 5.775 -8.817 1.00 0.00 C ATOM 290 C LYS A 23 -2.914 5.597 -8.155 1.00 0.00 C ATOM 291 O LYS A 23 -2.474 6.453 -7.390 1.00 0.00 O ATOM 292 CB LYS A 23 -4.982 7.082 -8.439 1.00 0.00 C ATOM 293 CG LYS A 23 -5.300 7.121 -6.943 1.00 0.00 C ATOM 294 CD LYS A 23 -6.310 6.034 -6.569 1.00 0.00 C ATOM 295 CE LYS A 23 -7.167 6.468 -5.379 1.00 0.00 C ATOM 296 NZ LYS A 23 -8.380 7.176 -5.845 1.00 0.00 N ATOM 0 HA LYS A 23 -4.112 5.831 -9.892 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.347 7.928 -8.702 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.903 7.185 -9.013 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.384 6.984 -6.369 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.699 8.100 -6.678 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.951 5.819 -7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.783 5.111 -6.325 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.451 5.596 -4.791 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.588 7.119 -4.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.951 7.464 -5.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.103 8.019 -6.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.940 6.543 -6.451 1.00 0.00 H new ATOM 310 N PHE A 24 -2.279 4.478 -8.474 1.00 0.00 N ATOM 311 CA PHE A 24 -0.971 4.176 -7.920 1.00 0.00 C ATOM 312 C PHE A 24 0.112 5.045 -8.564 1.00 0.00 C ATOM 313 O PHE A 24 0.355 4.950 -9.766 1.00 0.00 O ATOM 314 CB PHE A 24 -0.681 2.707 -8.231 1.00 0.00 C ATOM 315 CG PHE A 24 -1.903 1.794 -8.116 1.00 0.00 C ATOM 316 CD1 PHE A 24 -2.536 1.651 -6.921 1.00 0.00 C ATOM 317 CD2 PHE A 24 -2.357 1.124 -9.210 1.00 0.00 C ATOM 318 CE1 PHE A 24 -3.670 0.804 -6.814 1.00 0.00 C ATOM 319 CE2 PHE A 24 -3.491 0.276 -9.103 1.00 0.00 C ATOM 320 CZ PHE A 24 -4.124 0.134 -7.907 1.00 0.00 C ATOM 0 H PHE A 24 -2.647 3.770 -9.109 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.967 4.373 -6.848 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.278 2.633 -9.241 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.093 2.348 -7.552 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.176 2.182 -6.053 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.855 1.237 -10.159 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.172 0.692 -5.865 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.851 -0.256 -9.971 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.987 -0.511 -7.826 1.00 0.00 H new ATOM 330 N THR A 25 0.733 5.872 -7.736 1.00 0.00 N ATOM 331 CA THR A 25 1.783 6.757 -8.210 1.00 0.00 C ATOM 332 C THR A 25 3.153 6.100 -8.034 1.00 0.00 C ATOM 333 O THR A 25 3.264 5.043 -7.415 1.00 0.00 O ATOM 334 CB THR A 25 1.648 8.090 -7.470 1.00 0.00 C ATOM 335 OG1 THR A 25 2.973 8.615 -7.457 1.00 0.00 O ATOM 336 CG2 THR A 25 1.306 7.906 -5.990 1.00 0.00 C ATOM 0 H THR A 25 0.529 5.948 -6.739 1.00 0.00 H new ATOM 0 HA THR A 25 1.685 6.951 -9.278 1.00 0.00 H new ATOM 0 HB THR A 25 0.877 8.694 -7.948 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.977 9.480 -6.997 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.222 8.882 -5.512 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.359 7.374 -5.899 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.093 7.330 -5.503 1.00 0.00 H new ATOM 344 N ALA A 26 4.163 6.753 -8.591 1.00 0.00 N ATOM 345 CA ALA A 26 5.522 6.246 -8.503 1.00 0.00 C ATOM 346 C ALA A 26 5.727 5.582 -7.140 1.00 0.00 C ATOM 347 O ALA A 26 6.304 4.499 -7.054 1.00 0.00 O ATOM 348 CB ALA A 26 6.510 7.387 -8.750 1.00 0.00 C ATOM 0 H ALA A 26 4.067 7.629 -9.105 1.00 0.00 H new ATOM 0 HA ALA A 26 5.700 5.490 -9.268 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.529 7.006 -8.684 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.342 7.805 -9.743 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.363 8.164 -8.000 1.00 0.00 H new ATOM 354 N GLU A 27 5.243 6.259 -6.109 1.00 0.00 N ATOM 355 CA GLU A 27 5.366 5.748 -4.754 1.00 0.00 C ATOM 356 C GLU A 27 4.652 4.401 -4.628 1.00 0.00 C ATOM 357 O GLU A 27 5.297 3.360 -4.511 1.00 0.00 O ATOM 358 CB GLU A 27 4.823 6.754 -3.738 1.00 0.00 C ATOM 359 CG GLU A 27 5.709 6.807 -2.492 1.00 0.00 C ATOM 360 CD GLU A 27 5.022 7.577 -1.362 1.00 0.00 C ATOM 361 OE1 GLU A 27 3.856 7.233 -1.068 1.00 0.00 O ATOM 362 OE2 GLU A 27 5.677 8.492 -0.818 1.00 0.00 O ATOM 0 H GLU A 27 4.765 7.157 -6.185 1.00 0.00 H new ATOM 0 HA GLU A 27 6.424 5.598 -4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.770 7.743 -4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.807 6.478 -3.455 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.937 5.794 -2.160 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.658 7.283 -2.737 1.00 0.00 H new ATOM 369 N GLN A 28 3.328 4.464 -4.656 1.00 0.00 N ATOM 370 CA GLN A 28 2.520 3.262 -4.546 1.00 0.00 C ATOM 371 C GLN A 28 3.047 2.179 -5.491 1.00 0.00 C ATOM 372 O GLN A 28 3.224 1.031 -5.087 1.00 0.00 O ATOM 373 CB GLN A 28 1.046 3.565 -4.828 1.00 0.00 C ATOM 374 CG GLN A 28 0.507 4.615 -3.855 1.00 0.00 C ATOM 375 CD GLN A 28 0.507 4.085 -2.420 1.00 0.00 C ATOM 376 OE1 GLN A 28 -0.501 3.642 -1.894 1.00 0.00 O ATOM 377 NE2 GLN A 28 1.691 4.154 -1.817 1.00 0.00 N ATOM 0 H GLN A 28 2.796 5.329 -4.753 1.00 0.00 H new ATOM 0 HA GLN A 28 2.593 2.891 -3.524 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.934 3.921 -5.852 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.460 2.650 -4.743 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.117 5.517 -3.913 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.506 4.896 -4.142 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.495 4.536 -2.315 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.794 3.825 -0.857 1.00 0.00 H new ATOM 386 N LYS A 29 3.282 2.583 -6.730 1.00 0.00 N ATOM 387 CA LYS A 29 3.785 1.662 -7.735 1.00 0.00 C ATOM 388 C LYS A 29 5.098 1.048 -7.245 1.00 0.00 C ATOM 389 O LYS A 29 5.179 -0.161 -7.030 1.00 0.00 O ATOM 390 CB LYS A 29 3.901 2.360 -9.091 1.00 0.00 C ATOM 391 CG LYS A 29 3.027 1.669 -10.140 1.00 0.00 C ATOM 392 CD LYS A 29 3.455 2.061 -11.556 1.00 0.00 C ATOM 393 CE LYS A 29 3.072 3.511 -11.863 1.00 0.00 C ATOM 394 NZ LYS A 29 2.014 3.559 -12.896 1.00 0.00 N ATOM 0 H LYS A 29 3.133 3.536 -7.061 1.00 0.00 H new ATOM 0 HA LYS A 29 3.084 0.841 -7.884 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.602 3.404 -8.994 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.941 2.356 -9.419 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.097 0.588 -10.021 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.983 1.940 -9.984 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.533 1.935 -11.662 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.984 1.396 -12.280 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.724 4.002 -10.954 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.949 4.060 -12.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.766 4.550 -13.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.359 3.109 -13.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.172 3.052 -12.555 1.00 0.00 H new ATOM 408 N GLU A 30 6.093 1.907 -7.084 1.00 0.00 N ATOM 409 CA GLU A 30 7.398 1.464 -6.624 1.00 0.00 C ATOM 410 C GLU A 30 7.255 0.618 -5.357 1.00 0.00 C ATOM 411 O GLU A 30 7.943 -0.389 -5.198 1.00 0.00 O ATOM 412 CB GLU A 30 8.329 2.655 -6.386 1.00 0.00 C ATOM 413 CG GLU A 30 8.786 3.267 -7.712 1.00 0.00 C ATOM 414 CD GLU A 30 10.304 3.451 -7.736 1.00 0.00 C ATOM 415 OE1 GLU A 30 11.003 2.418 -7.652 1.00 0.00 O ATOM 416 OE2 GLU A 30 10.732 4.621 -7.839 1.00 0.00 O ATOM 0 H GLU A 30 6.022 2.908 -7.264 1.00 0.00 H new ATOM 0 HA GLU A 30 7.845 0.845 -7.402 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.815 3.410 -5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.198 2.333 -5.811 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.481 2.624 -8.538 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.297 4.230 -7.860 1.00 0.00 H new ATOM 423 N ARG A 31 6.357 1.059 -4.488 1.00 0.00 N ATOM 424 CA ARG A 31 6.115 0.355 -3.240 1.00 0.00 C ATOM 425 C ARG A 31 5.742 -1.103 -3.516 1.00 0.00 C ATOM 426 O ARG A 31 6.262 -2.013 -2.873 1.00 0.00 O ATOM 427 CB ARG A 31 4.991 1.019 -2.442 1.00 0.00 C ATOM 428 CG ARG A 31 5.385 2.435 -2.014 1.00 0.00 C ATOM 429 CD ARG A 31 5.750 2.477 -0.529 1.00 0.00 C ATOM 430 NE ARG A 31 7.221 2.515 -0.370 1.00 0.00 N ATOM 431 CZ ARG A 31 8.001 1.427 -0.332 1.00 0.00 C ATOM 432 NH1 ARG A 31 7.455 0.208 -0.441 1.00 0.00 N ATOM 433 NH2 ARG A 31 9.326 1.557 -0.185 1.00 0.00 N ATOM 0 H ARG A 31 5.788 1.895 -4.624 1.00 0.00 H new ATOM 0 HA ARG A 31 7.033 0.394 -2.654 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.084 1.057 -3.046 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.762 0.419 -1.561 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.231 2.777 -2.610 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.560 3.120 -2.209 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.303 3.354 -0.061 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.344 1.602 -0.021 1.00 0.00 H new ATOM 0 HE ARG A 31 7.669 3.427 -0.284 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.446 0.109 -0.553 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.048 -0.621 -0.412 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.741 2.485 -0.102 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.920 0.728 -0.156 1.00 0.00 H new ATOM 447 N MET A 32 4.844 -1.279 -4.475 1.00 0.00 N ATOM 448 CA MET A 32 4.396 -2.610 -4.844 1.00 0.00 C ATOM 449 C MET A 32 5.504 -3.382 -5.564 1.00 0.00 C ATOM 450 O MET A 32 5.763 -4.542 -5.249 1.00 0.00 O ATOM 451 CB MET A 32 3.173 -2.502 -5.757 1.00 0.00 C ATOM 452 CG MET A 32 2.118 -1.574 -5.153 1.00 0.00 C ATOM 453 SD MET A 32 1.382 -0.571 -6.433 1.00 0.00 S ATOM 454 CE MET A 32 0.106 0.248 -5.491 1.00 0.00 C ATOM 0 H MET A 32 4.415 -0.522 -5.007 1.00 0.00 H new ATOM 0 HA MET A 32 4.135 -3.150 -3.934 1.00 0.00 H new ATOM 0 HB2 MET A 32 3.476 -2.126 -6.734 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.744 -3.492 -5.915 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.348 -2.162 -4.653 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.574 -0.936 -4.396 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.125 1.209 -5.950 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.790 -0.372 -5.476 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.453 0.408 -4.470 1.00 0.00 H new ATOM 464 N LEU A 33 6.128 -2.707 -6.518 1.00 0.00 N ATOM 465 CA LEU A 33 7.202 -3.314 -7.285 1.00 0.00 C ATOM 466 C LEU A 33 8.256 -3.872 -6.326 1.00 0.00 C ATOM 467 O LEU A 33 8.738 -4.988 -6.509 1.00 0.00 O ATOM 468 CB LEU A 33 7.763 -2.319 -8.303 1.00 0.00 C ATOM 469 CG LEU A 33 7.298 -2.505 -9.749 1.00 0.00 C ATOM 470 CD1 LEU A 33 6.798 -1.185 -10.338 1.00 0.00 C ATOM 471 CD2 LEU A 33 8.402 -3.132 -10.603 1.00 0.00 C ATOM 0 H LEU A 33 5.910 -1.745 -6.777 1.00 0.00 H new ATOM 0 HA LEU A 33 6.825 -4.154 -7.869 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.495 -1.312 -7.983 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.851 -2.382 -8.281 1.00 0.00 H new ATOM 0 HG LEU A 33 6.456 -3.198 -9.751 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.474 -1.345 -11.366 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.960 -0.817 -9.746 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.604 -0.451 -10.322 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.046 -3.253 -11.626 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.278 -2.484 -10.598 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.669 -4.106 -10.194 1.00 0.00 H new ATOM 483 N ALA A 34 8.582 -3.069 -5.324 1.00 0.00 N ATOM 484 CA ALA A 34 9.569 -3.468 -4.335 1.00 0.00 C ATOM 485 C ALA A 34 9.019 -4.635 -3.513 1.00 0.00 C ATOM 486 O ALA A 34 9.771 -5.514 -3.095 1.00 0.00 O ATOM 487 CB ALA A 34 9.937 -2.265 -3.465 1.00 0.00 C ATOM 0 H ALA A 34 8.180 -2.143 -5.176 1.00 0.00 H new ATOM 0 HA ALA A 34 10.482 -3.809 -4.822 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.677 -2.565 -2.723 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.351 -1.475 -4.092 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.045 -1.896 -2.959 1.00 0.00 H new ATOM 493 N LEU A 35 7.710 -4.606 -3.306 1.00 0.00 N ATOM 494 CA LEU A 35 7.050 -5.651 -2.542 1.00 0.00 C ATOM 495 C LEU A 35 7.021 -6.939 -3.366 1.00 0.00 C ATOM 496 O LEU A 35 7.412 -8.000 -2.881 1.00 0.00 O ATOM 497 CB LEU A 35 5.668 -5.185 -2.080 1.00 0.00 C ATOM 498 CG LEU A 35 4.751 -6.268 -1.510 1.00 0.00 C ATOM 499 CD1 LEU A 35 5.303 -6.816 -0.192 1.00 0.00 C ATOM 500 CD2 LEU A 35 3.318 -5.751 -1.360 1.00 0.00 C ATOM 0 H LEU A 35 7.089 -3.875 -3.654 1.00 0.00 H new ATOM 0 HA LEU A 35 7.609 -5.868 -1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.801 -4.414 -1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.163 -4.717 -2.925 1.00 0.00 H new ATOM 0 HG LEU A 35 4.722 -7.097 -2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.632 -7.584 0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.289 -7.247 -0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.381 -6.007 0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.687 -6.541 -0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.309 -4.895 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.936 -5.448 -2.335 1.00 0.00 H new ATOM 512 N ALA A 36 6.555 -6.805 -4.599 1.00 0.00 N ATOM 513 CA ALA A 36 6.470 -7.946 -5.495 1.00 0.00 C ATOM 514 C ALA A 36 7.844 -8.610 -5.599 1.00 0.00 C ATOM 515 O ALA A 36 7.948 -9.836 -5.573 1.00 0.00 O ATOM 516 CB ALA A 36 5.939 -7.488 -6.855 1.00 0.00 C ATOM 0 H ALA A 36 6.232 -5.924 -4.999 1.00 0.00 H new ATOM 0 HA ALA A 36 5.773 -8.689 -5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.875 -8.343 -7.527 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.949 -7.050 -6.730 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.614 -6.744 -7.278 1.00 0.00 H new ATOM 522 N GLU A 37 8.864 -7.773 -5.716 1.00 0.00 N ATOM 523 CA GLU A 37 10.227 -8.264 -5.824 1.00 0.00 C ATOM 524 C GLU A 37 10.721 -8.762 -4.464 1.00 0.00 C ATOM 525 O GLU A 37 11.796 -9.351 -4.368 1.00 0.00 O ATOM 526 CB GLU A 37 11.156 -7.185 -6.384 1.00 0.00 C ATOM 527 CG GLU A 37 11.009 -7.069 -7.902 1.00 0.00 C ATOM 528 CD GLU A 37 12.360 -6.793 -8.565 1.00 0.00 C ATOM 529 OE1 GLU A 37 13.334 -7.468 -8.169 1.00 0.00 O ATOM 530 OE2 GLU A 37 12.388 -5.912 -9.451 1.00 0.00 O ATOM 0 H GLU A 37 8.774 -6.757 -5.738 1.00 0.00 H new ATOM 0 HA GLU A 37 10.237 -9.102 -6.521 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.928 -6.226 -5.919 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.189 -7.423 -6.132 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.586 -7.991 -8.301 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.311 -6.267 -8.143 1.00 0.00 H new ATOM 537 N ARG A 38 9.913 -8.505 -3.446 1.00 0.00 N ATOM 538 CA ARG A 38 10.254 -8.920 -2.096 1.00 0.00 C ATOM 539 C ARG A 38 9.542 -10.228 -1.746 1.00 0.00 C ATOM 540 O ARG A 38 10.169 -11.172 -1.269 1.00 0.00 O ATOM 541 CB ARG A 38 9.868 -7.847 -1.076 1.00 0.00 C ATOM 542 CG ARG A 38 9.699 -8.453 0.319 1.00 0.00 C ATOM 543 CD ARG A 38 9.596 -7.358 1.383 1.00 0.00 C ATOM 544 NE ARG A 38 10.391 -7.734 2.574 1.00 0.00 N ATOM 545 CZ ARG A 38 10.524 -6.962 3.661 1.00 0.00 C ATOM 546 NH1 ARG A 38 9.917 -5.769 3.715 1.00 0.00 N ATOM 547 NH2 ARG A 38 11.265 -7.384 4.695 1.00 0.00 N ATOM 0 H ARG A 38 9.023 -8.014 -3.529 1.00 0.00 H new ATOM 0 HA ARG A 38 11.333 -9.069 -2.058 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.635 -7.073 -1.050 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.939 -7.366 -1.383 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.804 -9.074 0.344 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.545 -9.103 0.542 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.956 -6.412 0.979 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.553 -7.209 1.664 1.00 0.00 H new ATOM 0 HE ARG A 38 10.867 -8.636 2.567 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.353 -5.448 2.928 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.019 -5.182 4.543 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.727 -8.292 4.654 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.367 -6.797 5.523 1.00 0.00 H new ATOM 561 N ILE A 39 8.241 -10.241 -1.997 1.00 0.00 N ATOM 562 CA ILE A 39 7.436 -11.417 -1.714 1.00 0.00 C ATOM 563 C ILE A 39 7.521 -12.384 -2.896 1.00 0.00 C ATOM 564 O ILE A 39 7.466 -13.600 -2.714 1.00 0.00 O ATOM 565 CB ILE A 39 6.005 -11.013 -1.351 1.00 0.00 C ATOM 566 CG1 ILE A 39 5.289 -10.396 -2.554 1.00 0.00 C ATOM 567 CG2 ILE A 39 5.989 -10.084 -0.136 1.00 0.00 C ATOM 568 CD1 ILE A 39 3.857 -9.994 -2.193 1.00 0.00 C ATOM 0 H ILE A 39 7.724 -9.456 -2.393 1.00 0.00 H new ATOM 0 HA ILE A 39 7.824 -11.944 -0.842 1.00 0.00 H new ATOM 0 HB ILE A 39 5.455 -11.913 -1.075 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.840 -9.521 -2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.274 -11.110 -3.378 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.960 -9.812 0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.435 -10.594 0.718 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.560 -9.183 -0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.370 -9.558 -3.066 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.302 -10.875 -1.870 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.877 -9.262 -1.385 1.00 0.00 H new ATOM 580 N GLY A 40 7.654 -11.809 -4.082 1.00 0.00 N ATOM 581 CA GLY A 40 7.748 -12.605 -5.294 1.00 0.00 C ATOM 582 C GLY A 40 6.486 -12.455 -6.147 1.00 0.00 C ATOM 583 O GLY A 40 6.188 -13.314 -6.975 1.00 0.00 O ATOM 0 H GLY A 40 7.699 -10.801 -4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.620 -12.295 -5.870 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.894 -13.654 -5.034 1.00 0.00 H new ATOM 587 N TRP A 41 5.780 -11.359 -5.914 1.00 0.00 N ATOM 588 CA TRP A 41 4.558 -11.086 -6.650 1.00 0.00 C ATOM 589 C TRP A 41 3.497 -12.091 -6.196 1.00 0.00 C ATOM 590 O TRP A 41 2.492 -12.289 -6.877 1.00 0.00 O ATOM 591 CB TRP A 41 4.807 -11.121 -8.159 1.00 0.00 C ATOM 592 CG TRP A 41 5.929 -10.192 -8.626 1.00 0.00 C ATOM 593 CD1 TRP A 41 7.239 -10.281 -8.359 1.00 0.00 C ATOM 594 CD2 TRP A 41 5.786 -9.022 -9.459 1.00 0.00 C ATOM 595 NE1 TRP A 41 7.948 -9.258 -8.955 1.00 0.00 N ATOM 596 CE2 TRP A 41 7.036 -8.468 -9.646 1.00 0.00 C ATOM 597 CE3 TRP A 41 4.638 -8.450 -10.035 1.00 0.00 C ATOM 598 CZ2 TRP A 41 7.258 -7.315 -10.409 1.00 0.00 C ATOM 599 CZ3 TRP A 41 4.876 -7.299 -10.795 1.00 0.00 C ATOM 600 CH2 TRP A 41 6.129 -6.729 -10.993 1.00 0.00 C ATOM 0 H TRP A 41 6.031 -10.649 -5.226 1.00 0.00 H new ATOM 0 HA TRP A 41 4.197 -10.080 -6.438 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.049 -12.142 -8.453 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.886 -10.850 -8.675 1.00 0.00 H new ATOM 0 HD1 TRP A 41 7.684 -11.056 -7.753 1.00 0.00 H new ATOM 0 HE1 TRP A 41 8.955 -9.109 -8.899 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.650 -8.866 -9.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.247 -6.900 -10.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 4.027 -6.820 -11.260 1.00 0.00 H new ATOM 0 HH2 TRP A 41 6.230 -5.838 -11.595 1.00 0.00 H new ATOM 611 N ARG A 42 3.758 -12.701 -5.049 1.00 0.00 N ATOM 612 CA ARG A 42 2.839 -13.681 -4.496 1.00 0.00 C ATOM 613 C ARG A 42 2.415 -13.273 -3.084 1.00 0.00 C ATOM 614 O ARG A 42 3.168 -12.609 -2.373 1.00 0.00 O ATOM 615 CB ARG A 42 3.479 -15.070 -4.448 1.00 0.00 C ATOM 616 CG ARG A 42 2.430 -16.164 -4.657 1.00 0.00 C ATOM 617 CD ARG A 42 2.901 -17.495 -4.068 1.00 0.00 C ATOM 618 NE ARG A 42 3.190 -18.456 -5.155 1.00 0.00 N ATOM 619 CZ ARG A 42 4.318 -18.456 -5.878 1.00 0.00 C ATOM 620 NH1 ARG A 42 5.270 -17.545 -5.635 1.00 0.00 N ATOM 621 NH2 ARG A 42 4.494 -19.366 -6.846 1.00 0.00 N ATOM 0 H ARG A 42 4.593 -12.535 -4.487 1.00 0.00 H new ATOM 0 HA ARG A 42 1.964 -13.719 -5.145 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.248 -15.147 -5.217 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.973 -15.214 -3.487 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.491 -15.867 -4.189 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.231 -16.284 -5.722 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.794 -17.339 -3.463 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.135 -17.901 -3.407 1.00 0.00 H new ATOM 0 HE ARG A 42 2.486 -19.163 -5.367 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.136 -16.851 -4.899 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.129 -17.545 -6.186 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.769 -20.059 -7.033 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.353 -19.366 -7.396 1.00 0.00 H new ATOM 635 N ILE A 43 1.210 -13.687 -2.720 1.00 0.00 N ATOM 636 CA ILE A 43 0.676 -13.373 -1.405 1.00 0.00 C ATOM 637 C ILE A 43 0.418 -14.673 -0.641 1.00 0.00 C ATOM 638 O ILE A 43 0.045 -15.683 -1.235 1.00 0.00 O ATOM 639 CB ILE A 43 -0.557 -12.476 -1.528 1.00 0.00 C ATOM 640 CG1 ILE A 43 -0.211 -11.160 -2.228 1.00 0.00 C ATOM 641 CG2 ILE A 43 -1.205 -12.245 -0.162 1.00 0.00 C ATOM 642 CD1 ILE A 43 -1.326 -10.739 -3.187 1.00 0.00 C ATOM 0 H ILE A 43 0.588 -14.237 -3.313 1.00 0.00 H new ATOM 0 HA ILE A 43 1.401 -12.801 -0.826 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.291 -12.988 -2.150 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.052 -10.379 -1.484 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.724 -11.271 -2.778 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.079 -11.604 -0.278 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.510 -13.202 0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.488 -11.764 0.504 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.055 -9.801 -3.671 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.466 -11.511 -3.944 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.253 -10.605 -2.630 1.00 0.00 H new ATOM 654 N GLN A 44 0.626 -14.605 0.666 1.00 0.00 N ATOM 655 CA GLN A 44 0.420 -15.764 1.518 1.00 0.00 C ATOM 656 C GLN A 44 0.173 -15.324 2.962 1.00 0.00 C ATOM 657 O GLN A 44 0.313 -14.146 3.288 1.00 0.00 O ATOM 658 CB GLN A 44 1.607 -16.725 1.432 1.00 0.00 C ATOM 659 CG GLN A 44 1.462 -17.672 0.240 1.00 0.00 C ATOM 660 CD GLN A 44 2.067 -19.042 0.551 1.00 0.00 C ATOM 661 OE1 GLN A 44 3.264 -19.195 0.731 1.00 0.00 O ATOM 662 NE2 GLN A 44 1.175 -20.028 0.603 1.00 0.00 N ATOM 0 H GLN A 44 0.935 -13.765 1.156 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.463 -16.298 1.166 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.533 -16.157 1.339 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.679 -17.303 2.353 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.408 -17.785 -0.013 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.955 -17.242 -0.632 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.187 -19.831 0.443 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.479 -20.981 0.803 1.00 0.00 H new ATOM 671 N ARG A 45 -0.189 -16.294 3.789 1.00 0.00 N ATOM 672 CA ARG A 45 -0.456 -16.021 5.191 1.00 0.00 C ATOM 673 C ARG A 45 0.812 -15.521 5.886 1.00 0.00 C ATOM 674 O ARG A 45 0.747 -14.972 6.984 1.00 0.00 O ATOM 675 CB ARG A 45 -0.963 -17.273 5.909 1.00 0.00 C ATOM 676 CG ARG A 45 -1.571 -16.919 7.267 1.00 0.00 C ATOM 677 CD ARG A 45 -0.610 -17.266 8.406 1.00 0.00 C ATOM 678 NE ARG A 45 -0.523 -18.735 8.564 1.00 0.00 N ATOM 679 CZ ARG A 45 0.191 -19.346 9.519 1.00 0.00 C ATOM 680 NH1 ARG A 45 0.883 -18.620 10.407 1.00 0.00 N ATOM 681 NH2 ARG A 45 0.212 -20.684 9.587 1.00 0.00 N ATOM 0 H ARG A 45 -0.304 -17.270 3.515 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.227 -15.252 5.238 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.709 -17.773 5.292 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.141 -17.975 6.047 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.807 -15.855 7.297 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.509 -17.458 7.401 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.378 -16.855 8.197 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.955 -16.812 9.335 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.039 -19.318 7.905 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.867 -17.601 10.356 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.426 -19.086 11.134 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.316 -21.237 8.912 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.756 -21.149 10.314 1.00 0.00 H new ATOM 695 N GLN A 46 1.936 -15.730 5.216 1.00 0.00 N ATOM 696 CA GLN A 46 3.218 -15.307 5.756 1.00 0.00 C ATOM 697 C GLN A 46 3.511 -13.860 5.355 1.00 0.00 C ATOM 698 O GLN A 46 4.085 -13.101 6.135 1.00 0.00 O ATOM 699 CB GLN A 46 4.340 -16.241 5.298 1.00 0.00 C ATOM 700 CG GLN A 46 4.105 -17.667 5.799 1.00 0.00 C ATOM 701 CD GLN A 46 5.284 -18.153 6.645 1.00 0.00 C ATOM 702 OE1 GLN A 46 6.355 -17.567 6.658 1.00 0.00 O ATOM 703 NE2 GLN A 46 5.029 -19.252 7.349 1.00 0.00 N ATOM 0 H GLN A 46 1.986 -16.186 4.305 1.00 0.00 H new ATOM 0 HA GLN A 46 3.168 -15.359 6.844 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.398 -16.239 4.210 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.297 -15.875 5.669 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.190 -17.702 6.390 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.962 -18.336 4.950 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.111 -19.692 7.292 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.752 -19.654 7.946 1.00 0.00 H new ATOM 712 N ASP A 47 3.104 -13.522 4.141 1.00 0.00 N ATOM 713 CA ASP A 47 3.316 -12.179 3.627 1.00 0.00 C ATOM 714 C ASP A 47 2.222 -11.254 4.165 1.00 0.00 C ATOM 715 O ASP A 47 2.387 -10.035 4.179 1.00 0.00 O ATOM 716 CB ASP A 47 3.246 -12.156 2.099 1.00 0.00 C ATOM 717 CG ASP A 47 4.171 -13.150 1.395 1.00 0.00 C ATOM 718 OD1 ASP A 47 4.937 -13.823 2.118 1.00 0.00 O ATOM 719 OD2 ASP A 47 4.091 -13.215 0.149 1.00 0.00 O ATOM 0 H ASP A 47 2.628 -14.155 3.498 1.00 0.00 H new ATOM 0 HA ASP A 47 4.304 -11.847 3.947 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.219 -12.359 1.794 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.488 -11.151 1.754 1.00 0.00 H new ATOM 724 N ASP A 48 1.130 -11.868 4.594 1.00 0.00 N ATOM 725 CA ASP A 48 0.009 -11.115 5.131 1.00 0.00 C ATOM 726 C ASP A 48 0.539 -9.954 5.975 1.00 0.00 C ATOM 727 O ASP A 48 0.281 -8.791 5.669 1.00 0.00 O ATOM 728 CB ASP A 48 -0.865 -11.993 6.028 1.00 0.00 C ATOM 729 CG ASP A 48 -2.365 -11.923 5.737 1.00 0.00 C ATOM 730 OD1 ASP A 48 -2.808 -12.685 4.851 1.00 0.00 O ATOM 731 OD2 ASP A 48 -3.036 -11.109 6.408 1.00 0.00 O ATOM 0 H ASP A 48 0.997 -12.879 4.581 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.586 -10.752 4.293 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.538 -13.028 5.927 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.698 -11.706 7.066 1.00 0.00 H new ATOM 736 N GLU A 49 1.269 -10.311 7.022 1.00 0.00 N ATOM 737 CA GLU A 49 1.837 -9.313 7.913 1.00 0.00 C ATOM 738 C GLU A 49 2.429 -8.157 7.106 1.00 0.00 C ATOM 739 O GLU A 49 2.253 -6.992 7.462 1.00 0.00 O ATOM 740 CB GLU A 49 2.889 -9.936 8.833 1.00 0.00 C ATOM 741 CG GLU A 49 2.337 -10.125 10.248 1.00 0.00 C ATOM 742 CD GLU A 49 2.826 -9.015 11.180 1.00 0.00 C ATOM 743 OE1 GLU A 49 3.991 -9.117 11.622 1.00 0.00 O ATOM 744 OE2 GLU A 49 2.024 -8.089 11.430 1.00 0.00 O ATOM 0 H GLU A 49 1.480 -11.277 7.273 1.00 0.00 H new ATOM 0 HA GLU A 49 1.039 -8.919 8.542 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.205 -10.898 8.431 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.772 -9.298 8.866 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.247 -10.127 10.220 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.648 -11.095 10.637 1.00 0.00 H new ATOM 751 N VAL A 50 3.121 -8.518 6.035 1.00 0.00 N ATOM 752 CA VAL A 50 3.740 -7.524 5.174 1.00 0.00 C ATOM 753 C VAL A 50 2.664 -6.855 4.318 1.00 0.00 C ATOM 754 O VAL A 50 2.720 -5.650 4.073 1.00 0.00 O ATOM 755 CB VAL A 50 4.849 -8.171 4.343 1.00 0.00 C ATOM 756 CG1 VAL A 50 5.777 -7.111 3.745 1.00 0.00 C ATOM 757 CG2 VAL A 50 5.639 -9.184 5.174 1.00 0.00 C ATOM 0 H VAL A 50 3.267 -9.485 5.744 1.00 0.00 H new ATOM 0 HA VAL A 50 4.212 -6.743 5.770 1.00 0.00 H new ATOM 0 HB VAL A 50 4.378 -8.708 3.519 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.556 -7.598 3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.202 -6.445 3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.235 -6.533 4.548 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.421 -9.629 4.558 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.092 -8.680 6.028 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.968 -9.966 5.529 1.00 0.00 H new ATOM 767 N ILE A 51 1.708 -7.664 3.886 1.00 0.00 N ATOM 768 CA ILE A 51 0.621 -7.165 3.062 1.00 0.00 C ATOM 769 C ILE A 51 -0.192 -6.144 3.861 1.00 0.00 C ATOM 770 O ILE A 51 -0.345 -5.000 3.437 1.00 0.00 O ATOM 771 CB ILE A 51 -0.215 -8.325 2.517 1.00 0.00 C ATOM 772 CG1 ILE A 51 0.663 -9.326 1.762 1.00 0.00 C ATOM 773 CG2 ILE A 51 -1.370 -7.812 1.655 1.00 0.00 C ATOM 774 CD1 ILE A 51 0.779 -8.948 0.284 1.00 0.00 C ATOM 0 H ILE A 51 1.664 -8.662 4.091 1.00 0.00 H new ATOM 0 HA ILE A 51 1.014 -6.647 2.187 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.655 -8.855 3.362 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.655 -9.357 2.212 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.241 -10.327 1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.948 -8.657 1.281 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.014 -7.169 2.255 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.972 -7.244 0.814 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.408 -9.675 -0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.212 -8.942 -0.169 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.224 -7.957 0.196 1.00 0.00 H new ATOM 786 N GLN A 52 -0.691 -6.596 5.002 1.00 0.00 N ATOM 787 CA GLN A 52 -1.483 -5.736 5.864 1.00 0.00 C ATOM 788 C GLN A 52 -0.642 -4.556 6.356 1.00 0.00 C ATOM 789 O GLN A 52 -1.166 -3.466 6.580 1.00 0.00 O ATOM 790 CB GLN A 52 -2.064 -6.523 7.040 1.00 0.00 C ATOM 791 CG GLN A 52 -3.002 -7.628 6.550 1.00 0.00 C ATOM 792 CD GLN A 52 -4.310 -7.629 7.344 1.00 0.00 C ATOM 793 OE1 GLN A 52 -5.391 -7.452 6.808 1.00 0.00 O ATOM 794 NE2 GLN A 52 -4.152 -7.838 8.648 1.00 0.00 N ATOM 0 H GLN A 52 -0.562 -7.546 5.349 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.318 -5.344 5.284 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.255 -6.961 7.625 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.606 -5.848 7.702 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.216 -7.485 5.491 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.512 -8.596 6.649 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.218 -7.979 9.032 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.965 -7.857 9.264 1.00 0.00 H new ATOM 803 N ARG A 53 0.648 -4.815 6.510 1.00 0.00 N ATOM 804 CA ARG A 53 1.567 -3.788 6.972 1.00 0.00 C ATOM 805 C ARG A 53 1.833 -2.773 5.857 1.00 0.00 C ATOM 806 O ARG A 53 1.751 -1.566 6.080 1.00 0.00 O ATOM 807 CB ARG A 53 2.896 -4.400 7.422 1.00 0.00 C ATOM 808 CG ARG A 53 3.970 -3.322 7.580 1.00 0.00 C ATOM 809 CD ARG A 53 3.572 -2.305 8.652 1.00 0.00 C ATOM 810 NE ARG A 53 4.415 -1.094 8.538 1.00 0.00 N ATOM 811 CZ ARG A 53 4.635 -0.235 9.543 1.00 0.00 C ATOM 812 NH1 ARG A 53 4.077 -0.449 10.742 1.00 0.00 N ATOM 813 NH2 ARG A 53 5.414 0.838 9.348 1.00 0.00 N ATOM 0 H ARG A 53 1.079 -5.721 6.323 1.00 0.00 H new ATOM 0 HA ARG A 53 1.104 -3.287 7.822 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.758 -4.922 8.369 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.224 -5.142 6.694 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.919 -3.786 7.848 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.122 -2.812 6.628 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.521 -2.038 8.540 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.685 -2.745 9.643 1.00 0.00 H new ATOM 0 HE ARG A 53 4.856 -0.901 7.639 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.485 -1.266 10.890 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.245 0.205 11.507 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.839 1.001 8.435 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.582 1.492 10.112 1.00 0.00 H new ATOM 827 N PHE A 54 2.145 -3.300 4.683 1.00 0.00 N ATOM 828 CA PHE A 54 2.422 -2.456 3.533 1.00 0.00 C ATOM 829 C PHE A 54 1.299 -1.440 3.316 1.00 0.00 C ATOM 830 O PHE A 54 1.556 -0.292 2.955 1.00 0.00 O ATOM 831 CB PHE A 54 2.507 -3.374 2.313 1.00 0.00 C ATOM 832 CG PHE A 54 2.496 -2.634 0.974 1.00 0.00 C ATOM 833 CD1 PHE A 54 1.320 -2.194 0.450 1.00 0.00 C ATOM 834 CD2 PHE A 54 3.661 -2.414 0.309 1.00 0.00 C ATOM 835 CE1 PHE A 54 1.310 -1.507 -0.792 1.00 0.00 C ATOM 836 CE2 PHE A 54 3.651 -1.727 -0.933 1.00 0.00 C ATOM 837 CZ PHE A 54 2.475 -1.287 -1.458 1.00 0.00 C ATOM 0 H PHE A 54 2.212 -4.302 4.503 1.00 0.00 H new ATOM 0 HA PHE A 54 3.349 -1.905 3.691 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.419 -3.967 2.381 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.670 -4.072 2.337 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.394 -2.367 0.979 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.595 -2.762 0.726 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.376 -1.159 -1.208 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.577 -1.553 -1.461 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.467 -0.764 -2.403 1.00 0.00 H new ATOM 847 N CYS A 55 0.077 -1.899 3.543 1.00 0.00 N ATOM 848 CA CYS A 55 -1.086 -1.045 3.376 1.00 0.00 C ATOM 849 C CYS A 55 -0.984 0.108 4.377 1.00 0.00 C ATOM 850 O CYS A 55 -1.667 1.120 4.235 1.00 0.00 O ATOM 851 CB CYS A 55 -2.391 -1.828 3.538 1.00 0.00 C ATOM 852 SG CYS A 55 -3.823 -0.724 3.252 1.00 0.00 S ATOM 0 H CYS A 55 -0.133 -2.852 3.841 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.103 -0.644 2.363 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.416 -2.659 2.833 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.446 -2.257 4.539 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.340 -0.977 2.086 1.00 0.00 H new ATOM 858 N GLN A 56 -0.125 -0.085 5.367 1.00 0.00 N ATOM 859 CA GLN A 56 0.076 0.925 6.391 1.00 0.00 C ATOM 860 C GLN A 56 1.123 1.943 5.935 1.00 0.00 C ATOM 861 O GLN A 56 1.064 3.112 6.313 1.00 0.00 O ATOM 862 CB GLN A 56 0.477 0.285 7.722 1.00 0.00 C ATOM 863 CG GLN A 56 1.934 0.600 8.065 1.00 0.00 C ATOM 864 CD GLN A 56 2.083 2.043 8.554 1.00 0.00 C ATOM 865 OE1 GLN A 56 1.161 2.646 9.078 1.00 0.00 O ATOM 866 NE2 GLN A 56 3.292 2.560 8.354 1.00 0.00 N ATOM 0 H GLN A 56 0.440 -0.927 5.481 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.867 1.448 6.547 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.174 0.650 8.516 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.338 -0.795 7.667 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.287 -0.087 8.834 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.560 0.443 7.187 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.019 2.000 7.909 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.492 3.517 8.645 1.00 0.00 H new ATOM 875 N GLU A 57 2.058 1.461 5.129 1.00 0.00 N ATOM 876 CA GLU A 57 3.117 2.314 4.617 1.00 0.00 C ATOM 877 C GLU A 57 2.674 2.989 3.317 1.00 0.00 C ATOM 878 O GLU A 57 3.182 4.051 2.960 1.00 0.00 O ATOM 879 CB GLU A 57 4.409 1.521 4.410 1.00 0.00 C ATOM 880 CG GLU A 57 4.383 0.769 3.077 1.00 0.00 C ATOM 881 CD GLU A 57 5.780 0.274 2.700 1.00 0.00 C ATOM 882 OE1 GLU A 57 6.670 1.141 2.557 1.00 0.00 O ATOM 883 OE2 GLU A 57 5.927 -0.960 2.563 1.00 0.00 O ATOM 0 H GLU A 57 2.104 0.491 4.818 1.00 0.00 H new ATOM 0 HA GLU A 57 3.320 3.090 5.355 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.263 2.198 4.433 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.541 0.813 5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.700 -0.077 3.146 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.001 1.424 2.293 1.00 0.00 H new ATOM 890 N THR A 58 1.731 2.345 2.645 1.00 0.00 N ATOM 891 CA THR A 58 1.213 2.870 1.393 1.00 0.00 C ATOM 892 C THR A 58 -0.239 3.320 1.563 1.00 0.00 C ATOM 893 O THR A 58 -0.526 4.516 1.568 1.00 0.00 O ATOM 894 CB THR A 58 1.395 1.795 0.319 1.00 0.00 C ATOM 895 OG1 THR A 58 0.792 0.634 0.885 1.00 0.00 O ATOM 896 CG2 THR A 58 2.860 1.399 0.129 1.00 0.00 C ATOM 0 H THR A 58 1.312 1.464 2.944 1.00 0.00 H new ATOM 0 HA THR A 58 1.760 3.759 1.080 1.00 0.00 H new ATOM 0 HB THR A 58 0.991 2.155 -0.627 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.386 -0.136 0.763 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.933 0.634 -0.644 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.437 2.274 -0.171 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.255 1.007 1.066 1.00 0.00 H new ATOM 904 N GLY A 59 -1.118 2.337 1.698 1.00 0.00 N ATOM 905 CA GLY A 59 -2.533 2.617 1.868 1.00 0.00 C ATOM 906 C GLY A 59 -3.372 1.838 0.852 1.00 0.00 C ATOM 907 O GLY A 59 -4.599 1.928 0.855 1.00 0.00 O ATOM 0 H GLY A 59 -0.877 1.346 1.693 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.841 2.351 2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.713 3.686 1.750 1.00 0.00 H new ATOM 911 N VAL A 60 -2.677 1.090 0.008 1.00 0.00 N ATOM 912 CA VAL A 60 -3.342 0.296 -1.011 1.00 0.00 C ATOM 913 C VAL A 60 -4.003 -0.918 -0.354 1.00 0.00 C ATOM 914 O VAL A 60 -3.459 -1.491 0.589 1.00 0.00 O ATOM 915 CB VAL A 60 -2.347 -0.086 -2.109 1.00 0.00 C ATOM 916 CG1 VAL A 60 -2.965 -1.091 -3.083 1.00 0.00 C ATOM 917 CG2 VAL A 60 -1.843 1.155 -2.848 1.00 0.00 C ATOM 0 H VAL A 60 -1.660 1.017 0.009 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.130 0.875 -1.493 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.490 -0.564 -1.634 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.237 -1.346 -3.853 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.252 -1.993 -2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.847 -0.651 -3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.137 0.855 -3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.686 1.673 -3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.346 1.822 -2.143 1.00 0.00 H new ATOM 927 N PRO A 61 -5.197 -1.283 -0.893 1.00 0.00 N ATOM 928 CA PRO A 61 -5.937 -2.418 -0.369 1.00 0.00 C ATOM 929 C PRO A 61 -5.298 -3.738 -0.805 1.00 0.00 C ATOM 930 O PRO A 61 -4.880 -3.881 -1.953 1.00 0.00 O ATOM 931 CB PRO A 61 -7.352 -2.242 -0.896 1.00 0.00 C ATOM 932 CG PRO A 61 -7.244 -1.278 -2.067 1.00 0.00 C ATOM 933 CD PRO A 61 -5.871 -0.628 -2.010 1.00 0.00 C ATOM 0 HA PRO A 61 -5.933 -2.456 0.720 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.772 -3.196 -1.213 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.010 -1.845 -0.123 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.377 -1.807 -3.011 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.027 -0.522 -2.012 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.325 -0.773 -2.942 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.948 0.447 -1.850 1.00 0.00 H new ATOM 941 N ARG A 62 -5.242 -4.670 0.135 1.00 0.00 N ATOM 942 CA ARG A 62 -4.660 -5.974 -0.137 1.00 0.00 C ATOM 943 C ARG A 62 -5.250 -6.561 -1.421 1.00 0.00 C ATOM 944 O ARG A 62 -4.516 -7.036 -2.285 1.00 0.00 O ATOM 945 CB ARG A 62 -4.911 -6.942 1.021 1.00 0.00 C ATOM 946 CG ARG A 62 -4.575 -8.378 0.617 1.00 0.00 C ATOM 947 CD ARG A 62 -4.676 -9.323 1.817 1.00 0.00 C ATOM 948 NE ARG A 62 -5.626 -10.418 1.519 1.00 0.00 N ATOM 949 CZ ARG A 62 -6.956 -10.315 1.649 1.00 0.00 C ATOM 950 NH1 ARG A 62 -7.501 -9.166 2.071 1.00 0.00 N ATOM 951 NH2 ARG A 62 -7.740 -11.361 1.356 1.00 0.00 N ATOM 0 H ARG A 62 -5.590 -4.548 1.086 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.585 -5.839 -0.256 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.307 -6.651 1.880 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.954 -6.882 1.330 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.255 -8.707 -0.168 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.568 -8.417 0.203 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.694 -9.735 2.050 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.007 -8.772 2.697 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.245 -11.307 1.194 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.904 -8.370 2.293 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.513 -9.088 2.170 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.325 -12.235 1.034 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.752 -11.283 1.455 1.00 0.00 H new ATOM 965 N GLN A 63 -6.572 -6.508 -1.504 1.00 0.00 N ATOM 966 CA GLN A 63 -7.269 -7.029 -2.668 1.00 0.00 C ATOM 967 C GLN A 63 -6.713 -6.399 -3.946 1.00 0.00 C ATOM 968 O GLN A 63 -6.755 -7.010 -5.013 1.00 0.00 O ATOM 969 CB GLN A 63 -8.777 -6.796 -2.553 1.00 0.00 C ATOM 970 CG GLN A 63 -9.549 -7.742 -3.475 1.00 0.00 C ATOM 971 CD GLN A 63 -10.864 -7.107 -3.934 1.00 0.00 C ATOM 972 OE1 GLN A 63 -11.926 -7.351 -3.384 1.00 0.00 O ATOM 973 NE2 GLN A 63 -10.735 -6.282 -4.969 1.00 0.00 N ATOM 0 H GLN A 63 -7.178 -6.113 -0.785 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.103 -8.105 -2.715 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.095 -6.948 -1.521 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.010 -5.762 -2.809 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.938 -7.989 -4.343 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.755 -8.677 -2.953 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -9.816 -6.122 -5.382 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -11.555 -5.809 -5.349 1.00 0.00 H new ATOM 982 N VAL A 64 -6.204 -5.184 -3.796 1.00 0.00 N ATOM 983 CA VAL A 64 -5.640 -4.465 -4.926 1.00 0.00 C ATOM 984 C VAL A 64 -4.195 -4.917 -5.143 1.00 0.00 C ATOM 985 O VAL A 64 -3.806 -5.251 -6.262 1.00 0.00 O ATOM 986 CB VAL A 64 -5.767 -2.957 -4.701 1.00 0.00 C ATOM 987 CG1 VAL A 64 -4.620 -2.203 -5.378 1.00 0.00 C ATOM 988 CG2 VAL A 64 -7.123 -2.442 -5.187 1.00 0.00 C ATOM 0 H VAL A 64 -6.171 -4.680 -2.910 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.192 -4.693 -5.838 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.703 -2.772 -3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.734 -1.133 -5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.669 -2.539 -4.964 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.638 -2.399 -6.450 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.187 -1.368 -5.015 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.229 -2.646 -6.252 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.921 -2.945 -4.640 1.00 0.00 H new ATOM 998 N LEU A 65 -3.437 -4.915 -4.056 1.00 0.00 N ATOM 999 CA LEU A 65 -2.044 -5.321 -4.114 1.00 0.00 C ATOM 1000 C LEU A 65 -1.946 -6.704 -4.761 1.00 0.00 C ATOM 1001 O LEU A 65 -0.930 -7.039 -5.367 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.406 -5.246 -2.725 1.00 0.00 C ATOM 1003 CG LEU A 65 0.124 -5.262 -2.688 1.00 0.00 C ATOM 1004 CD1 LEU A 65 0.659 -6.694 -2.769 1.00 0.00 C ATOM 1005 CD2 LEU A 65 0.709 -4.369 -3.783 1.00 0.00 C ATOM 0 H LEU A 65 -3.762 -4.638 -3.130 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.473 -4.635 -4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.752 -4.335 -2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.773 -6.084 -2.133 1.00 0.00 H new ATOM 0 HG LEU A 65 0.447 -4.851 -1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.749 -6.677 -2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.283 -7.271 -1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.327 -7.154 -3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.797 -4.399 -3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.380 -4.727 -4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.367 -3.344 -3.638 1.00 0.00 H new ATOM 1017 N LYS A 66 -3.017 -7.469 -4.610 1.00 0.00 N ATOM 1018 CA LYS A 66 -3.065 -8.808 -5.172 1.00 0.00 C ATOM 1019 C LYS A 66 -3.200 -8.713 -6.693 1.00 0.00 C ATOM 1020 O LYS A 66 -2.250 -8.995 -7.423 1.00 0.00 O ATOM 1021 CB LYS A 66 -4.172 -9.629 -4.507 1.00 0.00 C ATOM 1022 CG LYS A 66 -4.551 -10.837 -5.367 1.00 0.00 C ATOM 1023 CD LYS A 66 -5.431 -11.813 -4.583 1.00 0.00 C ATOM 1024 CE LYS A 66 -4.587 -12.681 -3.648 1.00 0.00 C ATOM 1025 NZ LYS A 66 -5.381 -13.826 -3.148 1.00 0.00 N ATOM 0 H LYS A 66 -3.858 -7.187 -4.107 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.137 -9.341 -4.966 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.839 -9.967 -3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.049 -9.002 -4.348 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.079 -10.501 -6.259 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.648 -11.346 -5.704 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.169 -11.258 -4.003 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.983 -12.448 -5.276 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.706 -13.045 -4.176 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.231 -12.083 -2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.794 -14.405 -2.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.209 -13.473 -2.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.699 -14.405 -3.951 1.00 0.00 H new ATOM 1039 N VAL A 67 -4.387 -8.316 -7.127 1.00 0.00 N ATOM 1040 CA VAL A 67 -4.658 -8.180 -8.548 1.00 0.00 C ATOM 1041 C VAL A 67 -3.562 -7.330 -9.193 1.00 0.00 C ATOM 1042 O VAL A 67 -3.066 -7.662 -10.268 1.00 0.00 O ATOM 1043 CB VAL A 67 -6.061 -7.609 -8.761 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -7.132 -8.605 -8.313 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -6.223 -6.269 -8.040 1.00 0.00 C ATOM 0 H VAL A 67 -5.173 -8.084 -6.519 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.641 -9.155 -9.035 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.192 -7.433 -9.829 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.120 -8.174 -8.475 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.038 -9.525 -8.890 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.002 -8.827 -7.254 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.229 -5.885 -8.208 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.061 -6.409 -6.971 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.494 -5.557 -8.427 1.00 0.00 H new ATOM 1055 N TRP A 68 -3.216 -6.249 -8.508 1.00 0.00 N ATOM 1056 CA TRP A 68 -2.187 -5.349 -9.001 1.00 0.00 C ATOM 1057 C TRP A 68 -1.085 -6.195 -9.640 1.00 0.00 C ATOM 1058 O TRP A 68 -0.817 -6.072 -10.835 1.00 0.00 O ATOM 1059 CB TRP A 68 -1.672 -4.441 -7.882 1.00 0.00 C ATOM 1060 CG TRP A 68 -0.608 -3.439 -8.335 1.00 0.00 C ATOM 1061 CD1 TRP A 68 -0.784 -2.171 -8.729 1.00 0.00 C ATOM 1062 CD2 TRP A 68 0.813 -3.675 -8.424 1.00 0.00 C ATOM 1063 NE1 TRP A 68 0.414 -1.574 -9.065 1.00 0.00 N ATOM 1064 CE2 TRP A 68 1.416 -2.518 -8.873 1.00 0.00 C ATOM 1065 CE3 TRP A 68 1.564 -4.828 -8.135 1.00 0.00 C ATOM 1066 CZ2 TRP A 68 2.797 -2.401 -9.073 1.00 0.00 C ATOM 1067 CZ3 TRP A 68 2.943 -4.695 -8.340 1.00 0.00 C ATOM 1068 CH2 TRP A 68 3.565 -3.537 -8.791 1.00 0.00 C ATOM 0 H TRP A 68 -3.630 -5.977 -7.616 1.00 0.00 H new ATOM 0 HA TRP A 68 -2.592 -4.677 -9.758 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.513 -3.894 -7.455 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -1.258 -5.061 -7.087 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -1.743 -1.678 -8.778 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.541 -0.617 -9.394 1.00 0.00 H new ATOM 0 HE3 TRP A 68 1.113 -5.744 -7.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 3.245 -1.484 -9.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 3.567 -5.552 -8.133 1.00 0.00 H new ATOM 0 HH2 TRP A 68 4.637 -3.514 -8.923 1.00 0.00 H new ATOM 1079 N LEU A 69 -0.475 -7.035 -8.817 1.00 0.00 N ATOM 1080 CA LEU A 69 0.593 -7.901 -9.288 1.00 0.00 C ATOM 1081 C LEU A 69 0.168 -8.560 -10.601 1.00 0.00 C ATOM 1082 O LEU A 69 0.929 -8.575 -11.567 1.00 0.00 O ATOM 1083 CB LEU A 69 0.991 -8.900 -8.199 1.00 0.00 C ATOM 1084 CG LEU A 69 1.365 -8.300 -6.842 1.00 0.00 C ATOM 1085 CD1 LEU A 69 1.004 -9.255 -5.703 1.00 0.00 C ATOM 1086 CD2 LEU A 69 2.840 -7.898 -6.808 1.00 0.00 C ATOM 0 H LEU A 69 -0.700 -7.135 -7.827 1.00 0.00 H new ATOM 0 HA LEU A 69 1.490 -7.319 -9.499 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.164 -9.595 -8.051 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.837 -9.484 -8.561 1.00 0.00 H new ATOM 0 HG LEU A 69 0.781 -7.391 -6.697 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.280 -8.805 -4.749 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.069 -9.448 -5.716 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.543 -10.194 -5.831 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.079 -7.474 -5.833 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.461 -8.776 -6.984 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.033 -7.156 -7.583 1.00 0.00 H new