USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 559 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 Set 1.1: A 28 CYS SG : rot 180:sc= 0.0232 USER MOD Set 1.2: A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 140:sc= 0.0496 USER MOD Single : A 31 LYS NZ :NH3+ 159:sc= -0.113 (180deg=-0.558) USER MOD Single : A 33 SER OG : rot -29:sc= 1.24 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.846 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -148:sc= -2.24 (180deg=-4.71!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0209) USER MOD Single : A 57 SER OG : rot 132:sc= -0.589 USER MOD Single : A 58 SER OG : rot 3:sc= 1.27 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -150:sc= 1.28 USER MOD Single : A 68 LYS NZ :NH3+ -174:sc= 1.04 (180deg=1) USER MOD Single : A 70 LYS NZ :NH3+ 178:sc= 1.08 (180deg=1.06) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc=0.000622 USER MOD Single : A 86 CYS SG : rot 180:sc= -0.0243 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 MET CE :methyl -116:sc= -0.759 (180deg=-1.88) USER MOD Single : A 96 SER OG : rot 180:sc= -0.115 USER MOD Single : A 99 SER OG : rot 90:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 377 N ASN A 27 -2.012 -3.800 10.461 1.00 54.20 N ATOM 378 CA ASN A 27 -2.286 -5.230 10.363 1.00 43.34 C ATOM 379 C ASN A 27 -1.688 -5.794 9.075 1.00 40.22 C ATOM 380 O ASN A 27 -0.853 -5.150 8.439 1.00 1.21 O ATOM 381 CB ASN A 27 -3.798 -5.479 10.394 1.00 61.14 C ATOM 382 CG ASN A 27 -4.447 -5.039 11.693 1.00 31.41 C ATOM 383 OD1 ASN A 27 -4.542 -5.813 12.646 1.00 61.01 O ATOM 384 ND2 ASN A 27 -4.902 -3.797 11.738 1.00 72.44 N ATOM 0 HA ASN A 27 -1.827 -5.735 11.213 1.00 43.34 H new ATOM 0 HB2 ASN A 27 -4.265 -4.949 9.564 1.00 61.14 H new ATOM 0 HB3 ASN A 27 -3.989 -6.541 10.241 1.00 61.14 H new ATOM 0 HD21 ASN A 27 -5.351 -3.449 12.585 1.00 72.44 H new ATOM 0 HD22 ASN A 27 -4.803 -3.188 10.926 1.00 72.44 H new ATOM 391 N CYS A 28 -2.094 -7.003 8.696 1.00 64.52 N ATOM 392 CA CYS A 28 -1.653 -7.584 7.433 1.00 72.13 C ATOM 393 C CYS A 28 -2.740 -7.419 6.374 1.00 44.50 C ATOM 394 O CYS A 28 -2.502 -7.606 5.180 1.00 5.21 O ATOM 395 CB CYS A 28 -1.274 -9.062 7.600 1.00 23.02 C ATOM 396 SG CYS A 28 -2.581 -10.108 8.281 1.00 51.23 S ATOM 0 H CYS A 28 -2.722 -7.594 9.240 1.00 64.52 H new ATOM 0 HA CYS A 28 -0.759 -7.053 7.106 1.00 72.13 H new ATOM 0 HB2 CYS A 28 -0.980 -9.459 6.628 1.00 23.02 H new ATOM 0 HB3 CYS A 28 -0.401 -9.127 8.249 1.00 23.02 H new ATOM 0 HG CYS A 28 -2.152 -11.332 8.376 1.00 51.23 H new ATOM 402 N THR A 29 -3.939 -7.083 6.828 1.00 3.04 N ATOM 403 CA THR A 29 -5.029 -6.746 5.933 1.00 1.22 C ATOM 404 C THR A 29 -5.151 -5.227 5.833 1.00 11.30 C ATOM 405 O THR A 29 -5.254 -4.539 6.852 1.00 34.41 O ATOM 406 CB THR A 29 -6.358 -7.344 6.435 1.00 15.21 C ATOM 407 OG1 THR A 29 -6.175 -8.733 6.739 1.00 2.21 O ATOM 408 CG2 THR A 29 -7.458 -7.190 5.393 1.00 41.10 C ATOM 0 H THR A 29 -4.179 -7.037 7.818 1.00 3.04 H new ATOM 0 HA THR A 29 -4.816 -7.165 4.950 1.00 1.22 H new ATOM 0 HB THR A 29 -6.659 -6.804 7.333 1.00 15.21 H new ATOM 0 HG1 THR A 29 -7.020 -9.112 7.060 1.00 2.21 H new ATOM 0 HG21 THR A 29 -8.384 -7.621 5.775 1.00 41.10 H new ATOM 0 HG22 THR A 29 -7.611 -6.132 5.179 1.00 41.10 H new ATOM 0 HG23 THR A 29 -7.168 -7.707 4.478 1.00 41.10 H new ATOM 416 N SER A 30 -5.122 -4.704 4.618 1.00 52.33 N ATOM 417 CA SER A 30 -5.166 -3.266 4.418 1.00 62.04 C ATOM 418 C SER A 30 -6.281 -2.900 3.449 1.00 2.34 C ATOM 419 O SER A 30 -6.328 -3.402 2.325 1.00 53.32 O ATOM 420 CB SER A 30 -3.819 -2.758 3.888 1.00 61.31 C ATOM 421 OG SER A 30 -3.747 -1.339 3.928 1.00 12.45 O ATOM 0 H SER A 30 -5.068 -5.252 3.759 1.00 52.33 H new ATOM 0 HA SER A 30 -5.366 -2.790 5.378 1.00 62.04 H new ATOM 0 HB2 SER A 30 -3.009 -3.182 4.482 1.00 61.31 H new ATOM 0 HB3 SER A 30 -3.676 -3.102 2.864 1.00 61.31 H new ATOM 0 HG SER A 30 -2.852 -1.065 4.217 1.00 12.45 H new ATOM 427 N LYS A 31 -7.200 -2.064 3.903 1.00 72.25 N ATOM 428 CA LYS A 31 -8.215 -1.511 3.027 1.00 52.34 C ATOM 429 C LYS A 31 -7.838 -0.113 2.606 1.00 61.30 C ATOM 430 O LYS A 31 -7.135 0.599 3.325 1.00 70.40 O ATOM 431 CB LYS A 31 -9.589 -1.474 3.691 1.00 11.34 C ATOM 432 CG LYS A 31 -10.382 -2.749 3.511 1.00 63.25 C ATOM 433 CD LYS A 31 -9.846 -3.874 4.368 1.00 35.13 C ATOM 434 CE LYS A 31 -10.111 -3.615 5.841 1.00 1.23 C ATOM 435 NZ LYS A 31 -11.560 -3.419 6.122 1.00 30.22 N ATOM 0 H LYS A 31 -7.263 -1.755 4.873 1.00 72.25 H new ATOM 0 HA LYS A 31 -8.272 -2.164 2.156 1.00 52.34 H new ATOM 0 HB2 LYS A 31 -9.463 -1.281 4.756 1.00 11.34 H new ATOM 0 HB3 LYS A 31 -10.159 -0.640 3.281 1.00 11.34 H new ATOM 0 HG2 LYS A 31 -11.426 -2.566 3.765 1.00 63.25 H new ATOM 0 HG3 LYS A 31 -10.356 -3.047 2.463 1.00 63.25 H new ATOM 0 HD2 LYS A 31 -10.311 -4.814 4.072 1.00 35.13 H new ATOM 0 HD3 LYS A 31 -8.774 -3.983 4.202 1.00 35.13 H new ATOM 0 HE2 LYS A 31 -9.738 -4.453 6.429 1.00 1.23 H new ATOM 0 HE3 LYS A 31 -9.557 -2.731 6.159 1.00 1.23 H new ATOM 0 HZ1 LYS A 31 -11.746 -3.599 7.129 1.00 30.22 H new ATOM 0 HZ2 LYS A 31 -11.830 -2.442 5.889 1.00 30.22 H new ATOM 0 HZ3 LYS A 31 -12.118 -4.079 5.544 1.00 30.22 H new ATOM 449 N PHE A 32 -8.310 0.275 1.446 1.00 5.35 N ATOM 450 CA PHE A 32 -8.087 1.620 0.959 1.00 4.24 C ATOM 451 C PHE A 32 -9.386 2.180 0.409 1.00 1.10 C ATOM 452 O PHE A 32 -9.921 1.673 -0.579 1.00 42.23 O ATOM 453 CB PHE A 32 -6.996 1.624 -0.119 1.00 44.35 C ATOM 454 CG PHE A 32 -6.572 3.004 -0.548 1.00 35.10 C ATOM 455 CD1 PHE A 32 -5.726 3.759 0.251 1.00 71.14 C ATOM 456 CD2 PHE A 32 -7.018 3.542 -1.743 1.00 54.15 C ATOM 457 CE1 PHE A 32 -5.334 5.024 -0.135 1.00 53.41 C ATOM 458 CE2 PHE A 32 -6.628 4.808 -2.136 1.00 42.12 C ATOM 459 CZ PHE A 32 -5.786 5.550 -1.331 1.00 41.33 C ATOM 0 H PHE A 32 -8.852 -0.320 0.819 1.00 5.35 H new ATOM 0 HA PHE A 32 -7.750 2.250 1.782 1.00 4.24 H new ATOM 0 HB2 PHE A 32 -6.125 1.087 0.256 1.00 44.35 H new ATOM 0 HB3 PHE A 32 -7.357 1.077 -0.990 1.00 44.35 H new ATOM 0 HD1 PHE A 32 -5.370 3.352 1.186 1.00 71.14 H new ATOM 0 HD2 PHE A 32 -7.678 2.966 -2.375 1.00 54.15 H new ATOM 0 HE1 PHE A 32 -4.675 5.602 0.496 1.00 53.41 H new ATOM 0 HE2 PHE A 32 -6.981 5.217 -3.071 1.00 42.12 H new ATOM 0 HZ PHE A 32 -5.481 6.540 -1.636 1.00 41.33 H new ATOM 469 N SER A 33 -9.879 3.229 1.045 1.00 41.21 N ATOM 470 CA SER A 33 -11.127 3.847 0.642 1.00 53.35 C ATOM 471 C SER A 33 -10.859 5.219 0.042 1.00 71.24 C ATOM 472 O SER A 33 -10.408 6.133 0.735 1.00 41.14 O ATOM 473 CB SER A 33 -12.065 3.974 1.847 1.00 35.41 C ATOM 474 OG SER A 33 -12.131 2.763 2.586 1.00 54.02 O ATOM 0 H SER A 33 -9.430 3.671 1.847 1.00 41.21 H new ATOM 0 HA SER A 33 -11.604 3.220 -0.111 1.00 53.35 H new ATOM 0 HB2 SER A 33 -11.719 4.779 2.496 1.00 35.41 H new ATOM 0 HB3 SER A 33 -13.063 4.247 1.505 1.00 35.41 H new ATOM 0 HG SER A 33 -11.971 2.005 1.986 1.00 54.02 H new ATOM 480 N ARG A 34 -11.108 5.354 -1.247 1.00 12.22 N ATOM 481 CA ARG A 34 -10.899 6.615 -1.930 1.00 34.35 C ATOM 482 C ARG A 34 -12.123 6.953 -2.766 1.00 12.35 C ATOM 483 O ARG A 34 -12.718 6.074 -3.387 1.00 24.05 O ATOM 484 CB ARG A 34 -9.644 6.535 -2.801 1.00 71.30 C ATOM 485 CG ARG A 34 -9.219 7.865 -3.402 1.00 70.14 C ATOM 486 CD ARG A 34 -7.864 7.757 -4.077 1.00 51.02 C ATOM 487 NE ARG A 34 -7.451 9.022 -4.680 1.00 62.23 N ATOM 488 CZ ARG A 34 -6.208 9.502 -4.637 1.00 43.12 C ATOM 489 NH1 ARG A 34 -5.259 8.837 -3.982 1.00 31.32 N ATOM 490 NH2 ARG A 34 -5.921 10.651 -5.238 1.00 53.54 N ATOM 0 H ARG A 34 -11.456 4.603 -1.843 1.00 12.22 H new ATOM 0 HA ARG A 34 -10.753 7.408 -1.196 1.00 34.35 H new ATOM 0 HB2 ARG A 34 -8.823 6.141 -2.202 1.00 71.30 H new ATOM 0 HB3 ARG A 34 -9.820 5.824 -3.608 1.00 71.30 H new ATOM 0 HG2 ARG A 34 -9.964 8.193 -4.127 1.00 70.14 H new ATOM 0 HG3 ARG A 34 -9.179 8.624 -2.620 1.00 70.14 H new ATOM 0 HD2 ARG A 34 -7.119 7.443 -3.346 1.00 51.02 H new ATOM 0 HD3 ARG A 34 -7.902 6.984 -4.845 1.00 51.02 H new ATOM 0 HE ARG A 34 -8.159 9.573 -5.165 1.00 62.23 H new ATOM 0 HH11 ARG A 34 -5.483 7.959 -3.513 1.00 31.32 H new ATOM 0 HH12 ARG A 34 -4.308 9.205 -3.950 1.00 31.32 H new ATOM 0 HH21 ARG A 34 -6.651 11.165 -5.731 1.00 53.54 H new ATOM 0 HH22 ARG A 34 -4.971 11.020 -5.206 1.00 53.54 H new ATOM 504 N PHE A 35 -12.502 8.218 -2.774 1.00 34.25 N ATOM 505 CA PHE A 35 -13.708 8.643 -3.465 1.00 22.03 C ATOM 506 C PHE A 35 -13.388 9.085 -4.889 1.00 65.32 C ATOM 507 O PHE A 35 -12.365 9.732 -5.138 1.00 62.50 O ATOM 508 CB PHE A 35 -14.393 9.774 -2.694 1.00 33.24 C ATOM 509 CG PHE A 35 -14.822 9.385 -1.305 1.00 22.30 C ATOM 510 CD1 PHE A 35 -16.044 8.768 -1.090 1.00 13.21 C ATOM 511 CD2 PHE A 35 -14.004 9.641 -0.215 1.00 2.13 C ATOM 512 CE1 PHE A 35 -16.442 8.413 0.184 1.00 62.03 C ATOM 513 CE2 PHE A 35 -14.397 9.288 1.061 1.00 32.33 C ATOM 514 CZ PHE A 35 -15.617 8.673 1.261 1.00 35.10 C ATOM 0 H PHE A 35 -11.993 8.970 -2.310 1.00 34.25 H new ATOM 0 HA PHE A 35 -14.390 7.795 -3.517 1.00 22.03 H new ATOM 0 HB2 PHE A 35 -13.712 10.623 -2.630 1.00 33.24 H new ATOM 0 HB3 PHE A 35 -15.266 10.107 -3.255 1.00 33.24 H new ATOM 0 HD1 PHE A 35 -16.693 8.562 -1.929 1.00 13.21 H new ATOM 0 HD2 PHE A 35 -13.049 10.122 -0.366 1.00 2.13 H new ATOM 0 HE1 PHE A 35 -17.397 7.933 0.338 1.00 62.03 H new ATOM 0 HE2 PHE A 35 -13.751 9.493 1.902 1.00 32.33 H new ATOM 0 HZ PHE A 35 -15.926 8.396 2.258 1.00 35.10 H new ATOM 524 N PHE A 36 -14.260 8.715 -5.817 1.00 41.32 N ATOM 525 CA PHE A 36 -14.092 9.065 -7.219 1.00 0.03 C ATOM 526 C PHE A 36 -15.397 9.615 -7.768 1.00 75.11 C ATOM 527 O PHE A 36 -16.389 9.703 -7.042 1.00 13.52 O ATOM 528 CB PHE A 36 -13.654 7.846 -8.038 1.00 11.20 C ATOM 529 CG PHE A 36 -12.305 7.311 -7.656 1.00 41.04 C ATOM 530 CD1 PHE A 36 -11.151 7.900 -8.141 1.00 61.04 C ATOM 531 CD2 PHE A 36 -12.192 6.215 -6.816 1.00 20.32 C ATOM 532 CE1 PHE A 36 -9.908 7.407 -7.797 1.00 74.44 C ATOM 533 CE2 PHE A 36 -10.951 5.720 -6.468 1.00 44.04 C ATOM 534 CZ PHE A 36 -9.808 6.317 -6.958 1.00 13.04 C ATOM 0 H PHE A 36 -15.098 8.168 -5.620 1.00 41.32 H new ATOM 0 HA PHE A 36 -13.315 9.825 -7.296 1.00 0.03 H new ATOM 0 HB2 PHE A 36 -14.395 7.055 -7.919 1.00 11.20 H new ATOM 0 HB3 PHE A 36 -13.642 8.115 -9.094 1.00 11.20 H new ATOM 0 HD1 PHE A 36 -11.223 8.755 -8.796 1.00 61.04 H new ATOM 0 HD2 PHE A 36 -13.083 5.743 -6.430 1.00 20.32 H new ATOM 0 HE1 PHE A 36 -9.015 7.875 -8.185 1.00 74.44 H new ATOM 0 HE2 PHE A 36 -10.875 4.865 -5.812 1.00 44.04 H new ATOM 0 HZ PHE A 36 -8.837 5.932 -6.685 1.00 13.04 H new ATOM 544 N ALA A 37 -15.398 9.983 -9.042 1.00 4.31 N ATOM 545 CA ALA A 37 -16.593 10.519 -9.678 1.00 63.13 C ATOM 546 C ALA A 37 -17.622 9.420 -9.914 1.00 65.13 C ATOM 547 O ALA A 37 -18.744 9.490 -9.414 1.00 11.34 O ATOM 548 CB ALA A 37 -16.231 11.205 -10.987 1.00 53.42 C ATOM 0 H ALA A 37 -14.585 9.920 -9.655 1.00 4.31 H new ATOM 0 HA ALA A 37 -17.036 11.257 -9.009 1.00 63.13 H new ATOM 0 HB1 ALA A 37 -17.134 11.601 -11.452 1.00 53.42 H new ATOM 0 HB2 ALA A 37 -15.536 12.021 -10.790 1.00 53.42 H new ATOM 0 HB3 ALA A 37 -15.763 10.485 -11.658 1.00 53.42 H new ATOM 554 N THR A 38 -17.235 8.400 -10.664 1.00 12.30 N ATOM 555 CA THR A 38 -18.129 7.293 -10.960 1.00 43.12 C ATOM 556 C THR A 38 -17.439 5.961 -10.718 1.00 33.32 C ATOM 557 O THR A 38 -16.225 5.913 -10.502 1.00 31.11 O ATOM 558 CB THR A 38 -18.620 7.339 -12.416 1.00 43.33 C ATOM 559 OG1 THR A 38 -17.502 7.510 -13.296 1.00 63.44 O ATOM 560 CG2 THR A 38 -19.627 8.461 -12.621 1.00 14.44 C ATOM 0 H THR A 38 -16.307 8.316 -11.079 1.00 12.30 H new ATOM 0 HA THR A 38 -18.985 7.390 -10.293 1.00 43.12 H new ATOM 0 HB THR A 38 -19.119 6.397 -12.642 1.00 43.33 H new ATOM 0 HG1 THR A 38 -17.817 7.537 -14.224 1.00 63.44 H new ATOM 0 HG21 THR A 38 -19.956 8.469 -13.660 1.00 14.44 H new ATOM 0 HG22 THR A 38 -20.486 8.302 -11.969 1.00 14.44 H new ATOM 0 HG23 THR A 38 -19.161 9.417 -12.381 1.00 14.44 H new ATOM 568 N ARG A 39 -18.210 4.880 -10.760 1.00 23.11 N ATOM 569 CA ARG A 39 -17.667 3.548 -10.539 1.00 0.13 C ATOM 570 C ARG A 39 -16.665 3.196 -11.636 1.00 42.01 C ATOM 571 O ARG A 39 -15.770 2.377 -11.437 1.00 20.30 O ATOM 572 CB ARG A 39 -18.794 2.513 -10.481 1.00 74.22 C ATOM 573 CG ARG A 39 -19.287 2.051 -11.843 1.00 51.35 C ATOM 574 CD ARG A 39 -20.348 0.972 -11.713 1.00 20.43 C ATOM 575 NE ARG A 39 -21.524 1.448 -10.995 1.00 14.24 N ATOM 576 CZ ARG A 39 -22.749 0.952 -11.153 1.00 33.14 C ATOM 577 NH1 ARG A 39 -22.976 -0.041 -12.008 1.00 33.52 N ATOM 578 NH2 ARG A 39 -23.751 1.460 -10.453 1.00 22.03 N ATOM 0 H ARG A 39 -19.213 4.902 -10.945 1.00 23.11 H new ATOM 0 HA ARG A 39 -17.146 3.538 -9.582 1.00 0.13 H new ATOM 0 HB2 ARG A 39 -18.447 1.646 -9.919 1.00 74.22 H new ATOM 0 HB3 ARG A 39 -19.633 2.936 -9.928 1.00 74.22 H new ATOM 0 HG2 ARG A 39 -19.695 2.900 -12.391 1.00 51.35 H new ATOM 0 HG3 ARG A 39 -18.448 1.670 -12.425 1.00 51.35 H new ATOM 0 HD2 ARG A 39 -20.642 0.631 -12.706 1.00 20.43 H new ATOM 0 HD3 ARG A 39 -19.928 0.111 -11.192 1.00 20.43 H new ATOM 0 HE ARG A 39 -21.400 2.210 -10.329 1.00 14.24 H new ATOM 0 HH11 ARG A 39 -22.207 -0.431 -12.552 1.00 33.52 H new ATOM 0 HH12 ARG A 39 -23.919 -0.412 -12.120 1.00 33.52 H new ATOM 0 HH21 ARG A 39 -23.581 2.225 -9.800 1.00 22.03 H new ATOM 0 HH22 ARG A 39 -24.693 1.087 -10.567 1.00 22.03 H new ATOM 592 N GLU A 40 -16.815 3.842 -12.789 1.00 2.05 N ATOM 593 CA GLU A 40 -15.893 3.669 -13.902 1.00 51.31 C ATOM 594 C GLU A 40 -14.511 4.159 -13.508 1.00 54.13 C ATOM 595 O GLU A 40 -13.504 3.488 -13.728 1.00 35.02 O ATOM 596 CB GLU A 40 -16.383 4.457 -15.109 1.00 11.22 C ATOM 597 CG GLU A 40 -17.773 4.064 -15.568 1.00 72.24 C ATOM 598 CD GLU A 40 -18.269 4.921 -16.711 1.00 33.33 C ATOM 599 OE1 GLU A 40 -18.021 4.566 -17.881 1.00 43.11 O ATOM 600 OE2 GLU A 40 -18.917 5.954 -16.444 1.00 32.02 O ATOM 0 H GLU A 40 -17.575 4.496 -12.975 1.00 2.05 H new ATOM 0 HA GLU A 40 -15.843 2.610 -14.157 1.00 51.31 H new ATOM 0 HB2 GLU A 40 -16.377 5.519 -14.865 1.00 11.22 H new ATOM 0 HB3 GLU A 40 -15.684 4.315 -15.933 1.00 11.22 H new ATOM 0 HG2 GLU A 40 -17.768 3.019 -15.877 1.00 72.24 H new ATOM 0 HG3 GLU A 40 -18.465 4.145 -14.730 1.00 72.24 H new ATOM 607 N GLU A 41 -14.490 5.340 -12.907 1.00 54.11 N ATOM 608 CA GLU A 41 -13.260 5.949 -12.418 1.00 5.01 C ATOM 609 C GLU A 41 -12.616 5.063 -11.357 1.00 14.31 C ATOM 610 O GLU A 41 -11.397 5.065 -11.177 1.00 2.42 O ATOM 611 CB GLU A 41 -13.562 7.332 -11.835 1.00 13.14 C ATOM 612 CG GLU A 41 -14.297 8.251 -12.798 1.00 21.23 C ATOM 613 CD GLU A 41 -13.557 8.448 -14.104 1.00 5.45 C ATOM 614 OE1 GLU A 41 -13.785 7.662 -15.047 1.00 4.54 O ATOM 615 OE2 GLU A 41 -12.754 9.398 -14.198 1.00 14.14 O ATOM 0 H GLU A 41 -15.325 5.903 -12.744 1.00 54.11 H new ATOM 0 HA GLU A 41 -12.564 6.056 -13.250 1.00 5.01 H new ATOM 0 HB2 GLU A 41 -14.160 7.214 -10.931 1.00 13.14 H new ATOM 0 HB3 GLU A 41 -12.626 7.804 -11.538 1.00 13.14 H new ATOM 0 HG2 GLU A 41 -15.284 7.838 -13.004 1.00 21.23 H new ATOM 0 HG3 GLU A 41 -14.450 9.220 -12.323 1.00 21.23 H new ATOM 622 N ALA A 42 -13.454 4.302 -10.665 1.00 11.03 N ATOM 623 CA ALA A 42 -12.995 3.408 -9.608 1.00 0.32 C ATOM 624 C ALA A 42 -12.318 2.169 -10.191 1.00 34.13 C ATOM 625 O ALA A 42 -11.302 1.702 -9.669 1.00 64.44 O ATOM 626 CB ALA A 42 -14.160 3.010 -8.714 1.00 74.23 C ATOM 0 H ALA A 42 -14.462 4.286 -10.818 1.00 11.03 H new ATOM 0 HA ALA A 42 -12.257 3.940 -9.007 1.00 0.32 H new ATOM 0 HB1 ALA A 42 -13.805 2.343 -7.929 1.00 74.23 H new ATOM 0 HB2 ALA A 42 -14.594 3.902 -8.263 1.00 74.23 H new ATOM 0 HB3 ALA A 42 -14.917 2.499 -9.309 1.00 74.23 H new ATOM 632 N GLU A 43 -12.881 1.648 -11.280 1.00 11.11 N ATOM 633 CA GLU A 43 -12.318 0.484 -11.962 1.00 73.22 C ATOM 634 C GLU A 43 -10.903 0.785 -12.444 1.00 4.34 C ATOM 635 O GLU A 43 -9.999 -0.040 -12.309 1.00 24.34 O ATOM 636 CB GLU A 43 -13.196 0.086 -13.154 1.00 0.24 C ATOM 637 CG GLU A 43 -14.622 -0.282 -12.774 1.00 5.55 C ATOM 638 CD GLU A 43 -14.735 -1.631 -12.089 1.00 13.04 C ATOM 639 OE1 GLU A 43 -13.708 -2.170 -11.626 1.00 2.14 O ATOM 640 OE2 GLU A 43 -15.864 -2.163 -12.014 1.00 63.34 O ATOM 0 H GLU A 43 -13.730 2.015 -11.710 1.00 11.11 H new ATOM 0 HA GLU A 43 -12.284 -0.344 -11.254 1.00 73.22 H new ATOM 0 HB2 GLU A 43 -13.222 0.911 -13.865 1.00 0.24 H new ATOM 0 HB3 GLU A 43 -12.737 -0.760 -13.664 1.00 0.24 H new ATOM 0 HG2 GLU A 43 -15.024 0.487 -12.114 1.00 5.55 H new ATOM 0 HG3 GLU A 43 -15.240 -0.286 -13.672 1.00 5.55 H new ATOM 647 N SER A 44 -10.717 1.981 -12.990 1.00 24.14 N ATOM 648 CA SER A 44 -9.420 2.401 -13.501 1.00 34.05 C ATOM 649 C SER A 44 -8.364 2.428 -12.394 1.00 34.34 C ATOM 650 O SER A 44 -7.177 2.216 -12.653 1.00 54.21 O ATOM 651 CB SER A 44 -9.542 3.778 -14.149 1.00 41.32 C ATOM 652 OG SER A 44 -10.562 3.779 -15.132 1.00 41.41 O ATOM 0 H SER A 44 -11.453 2.680 -13.090 1.00 24.14 H new ATOM 0 HA SER A 44 -9.098 1.676 -14.248 1.00 34.05 H new ATOM 0 HB2 SER A 44 -9.763 4.526 -13.387 1.00 41.32 H new ATOM 0 HB3 SER A 44 -8.591 4.057 -14.604 1.00 41.32 H new ATOM 0 HG SER A 44 -10.627 4.670 -15.535 1.00 41.41 H new ATOM 658 N PHE A 45 -8.798 2.668 -11.161 1.00 4.43 N ATOM 659 CA PHE A 45 -7.880 2.707 -10.036 1.00 53.21 C ATOM 660 C PHE A 45 -7.430 1.290 -9.693 1.00 34.45 C ATOM 661 O PHE A 45 -6.269 1.054 -9.363 1.00 24.54 O ATOM 662 CB PHE A 45 -8.551 3.367 -8.829 1.00 40.31 C ATOM 663 CG PHE A 45 -7.608 3.676 -7.703 1.00 42.21 C ATOM 664 CD1 PHE A 45 -6.677 4.695 -7.822 1.00 55.24 C ATOM 665 CD2 PHE A 45 -7.653 2.950 -6.523 1.00 41.43 C ATOM 666 CE1 PHE A 45 -5.810 4.987 -6.788 1.00 13.25 C ATOM 667 CE2 PHE A 45 -6.788 3.239 -5.483 1.00 43.21 C ATOM 668 CZ PHE A 45 -5.864 4.258 -5.617 1.00 15.03 C ATOM 0 H PHE A 45 -9.774 2.837 -10.919 1.00 4.43 H new ATOM 0 HA PHE A 45 -7.005 3.299 -10.306 1.00 53.21 H new ATOM 0 HB2 PHE A 45 -9.030 4.291 -9.152 1.00 40.31 H new ATOM 0 HB3 PHE A 45 -9.339 2.711 -8.460 1.00 40.31 H new ATOM 0 HD1 PHE A 45 -6.629 5.269 -8.736 1.00 55.24 H new ATOM 0 HD2 PHE A 45 -8.371 2.150 -6.415 1.00 41.43 H new ATOM 0 HE1 PHE A 45 -5.090 5.785 -6.895 1.00 13.25 H new ATOM 0 HE2 PHE A 45 -6.835 2.669 -4.567 1.00 43.21 H new ATOM 0 HZ PHE A 45 -5.186 4.483 -4.807 1.00 15.03 H new ATOM 678 N MET A 46 -8.354 0.347 -9.814 1.00 31.51 N ATOM 679 CA MET A 46 -8.068 -1.057 -9.537 1.00 14.02 C ATOM 680 C MET A 46 -7.048 -1.616 -10.530 1.00 10.10 C ATOM 681 O MET A 46 -6.264 -2.504 -10.194 1.00 24.01 O ATOM 682 CB MET A 46 -9.363 -1.876 -9.601 1.00 34.45 C ATOM 683 CG MET A 46 -9.185 -3.374 -9.362 1.00 4.34 C ATOM 684 SD MET A 46 -9.071 -3.826 -7.612 1.00 60.35 S ATOM 685 CE MET A 46 -7.489 -3.142 -7.135 1.00 53.51 C ATOM 0 H MET A 46 -9.315 0.529 -10.104 1.00 31.51 H new ATOM 0 HA MET A 46 -7.643 -1.128 -8.536 1.00 14.02 H new ATOM 0 HB2 MET A 46 -10.061 -1.485 -8.861 1.00 34.45 H new ATOM 0 HB3 MET A 46 -9.821 -1.730 -10.579 1.00 34.45 H new ATOM 0 HG2 MET A 46 -10.023 -3.906 -9.811 1.00 4.34 H new ATOM 0 HG3 MET A 46 -8.283 -3.710 -9.874 1.00 4.34 H new ATOM 0 HE1 MET A 46 -7.040 -3.768 -6.364 1.00 53.51 H new ATOM 0 HE2 MET A 46 -6.831 -3.107 -8.003 1.00 53.51 H new ATOM 0 HE3 MET A 46 -7.631 -2.133 -6.747 1.00 53.51 H new ATOM 695 N THR A 47 -7.059 -1.081 -11.746 1.00 63.21 N ATOM 696 CA THR A 47 -6.167 -1.544 -12.806 1.00 73.11 C ATOM 697 C THR A 47 -4.695 -1.436 -12.397 1.00 15.30 C ATOM 698 O THR A 47 -3.946 -2.413 -12.472 1.00 50.02 O ATOM 699 CB THR A 47 -6.399 -0.736 -14.096 1.00 71.33 C ATOM 700 OG1 THR A 47 -7.801 -0.686 -14.382 1.00 51.25 O ATOM 701 CG2 THR A 47 -5.663 -1.361 -15.273 1.00 61.24 C ATOM 0 H THR A 47 -7.680 -0.321 -12.024 1.00 63.21 H new ATOM 0 HA THR A 47 -6.397 -2.594 -12.984 1.00 73.11 H new ATOM 0 HB THR A 47 -6.013 0.272 -13.945 1.00 71.33 H new ATOM 0 HG1 THR A 47 -7.949 -0.170 -15.202 1.00 51.25 H new ATOM 0 HG21 THR A 47 -5.844 -0.770 -16.171 1.00 61.24 H new ATOM 0 HG22 THR A 47 -4.594 -1.383 -15.063 1.00 61.24 H new ATOM 0 HG23 THR A 47 -6.023 -2.378 -15.429 1.00 61.24 H new ATOM 709 N LYS A 48 -4.283 -0.252 -11.962 1.00 13.34 N ATOM 710 CA LYS A 48 -2.899 -0.035 -11.564 1.00 10.32 C ATOM 711 C LYS A 48 -2.600 -0.695 -10.218 1.00 21.04 C ATOM 712 O LYS A 48 -1.471 -1.093 -9.948 1.00 4.54 O ATOM 713 CB LYS A 48 -2.567 1.453 -11.531 1.00 12.34 C ATOM 714 CG LYS A 48 -3.446 2.270 -10.612 1.00 53.22 C ATOM 715 CD LYS A 48 -3.167 3.748 -10.781 1.00 72.40 C ATOM 716 CE LYS A 48 -1.731 4.090 -10.416 1.00 51.43 C ATOM 717 NZ LYS A 48 -1.363 5.466 -10.836 1.00 22.14 N ATOM 0 H LYS A 48 -4.884 0.568 -11.876 1.00 13.34 H new ATOM 0 HA LYS A 48 -2.260 -0.505 -12.312 1.00 10.32 H new ATOM 0 HB2 LYS A 48 -1.529 1.574 -11.223 1.00 12.34 H new ATOM 0 HB3 LYS A 48 -2.648 1.853 -12.542 1.00 12.34 H new ATOM 0 HG2 LYS A 48 -4.495 2.066 -10.827 1.00 53.22 H new ATOM 0 HG3 LYS A 48 -3.270 1.977 -9.577 1.00 53.22 H new ATOM 0 HD2 LYS A 48 -3.360 4.040 -11.813 1.00 72.40 H new ATOM 0 HD3 LYS A 48 -3.849 4.322 -10.154 1.00 72.40 H new ATOM 0 HE2 LYS A 48 -1.598 3.992 -9.339 1.00 51.43 H new ATOM 0 HE3 LYS A 48 -1.057 3.375 -10.887 1.00 51.43 H new ATOM 0 HZ1 LYS A 48 -0.377 5.659 -10.568 1.00 22.14 H new ATOM 0 HZ2 LYS A 48 -1.465 5.553 -11.867 1.00 22.14 H new ATOM 0 HZ3 LYS A 48 -1.989 6.151 -10.367 1.00 22.14 H new ATOM 731 N LEU A 49 -3.626 -0.817 -9.386 1.00 41.10 N ATOM 732 CA LEU A 49 -3.487 -1.456 -8.082 1.00 22.12 C ATOM 733 C LEU A 49 -3.272 -2.960 -8.228 1.00 22.14 C ATOM 734 O LEU A 49 -2.656 -3.591 -7.371 1.00 71.43 O ATOM 735 CB LEU A 49 -4.723 -1.175 -7.223 1.00 4.02 C ATOM 736 CG LEU A 49 -4.623 0.031 -6.287 1.00 22.42 C ATOM 737 CD1 LEU A 49 -3.666 -0.270 -5.152 1.00 70.24 C ATOM 738 CD2 LEU A 49 -4.170 1.272 -7.041 1.00 72.22 C ATOM 0 H LEU A 49 -4.567 -0.481 -9.591 1.00 41.10 H new ATOM 0 HA LEU A 49 -2.610 -1.037 -7.589 1.00 22.12 H new ATOM 0 HB2 LEU A 49 -5.576 -1.028 -7.885 1.00 4.02 H new ATOM 0 HB3 LEU A 49 -4.934 -2.060 -6.623 1.00 4.02 H new ATOM 0 HG LEU A 49 -5.613 0.227 -5.876 1.00 22.42 H new ATOM 0 HD11 LEU A 49 -3.602 0.595 -4.491 1.00 70.24 H new ATOM 0 HD12 LEU A 49 -4.028 -1.131 -4.589 1.00 70.24 H new ATOM 0 HD13 LEU A 49 -2.679 -0.491 -5.557 1.00 70.24 H new ATOM 0 HD21 LEU A 49 -4.108 2.114 -6.352 1.00 72.22 H new ATOM 0 HD22 LEU A 49 -3.190 1.092 -7.483 1.00 72.22 H new ATOM 0 HD23 LEU A 49 -4.887 1.501 -7.829 1.00 72.22 H new ATOM 750 N LYS A 50 -3.781 -3.531 -9.320 1.00 42.10 N ATOM 751 CA LYS A 50 -3.566 -4.943 -9.610 1.00 32.01 C ATOM 752 C LYS A 50 -2.081 -5.215 -9.802 1.00 25.14 C ATOM 753 O LYS A 50 -1.555 -6.211 -9.309 1.00 22.21 O ATOM 754 CB LYS A 50 -4.344 -5.372 -10.859 1.00 14.55 C ATOM 755 CG LYS A 50 -5.372 -6.457 -10.589 1.00 74.41 C ATOM 756 CD LYS A 50 -6.497 -5.953 -9.701 1.00 51.04 C ATOM 757 CE LYS A 50 -7.372 -7.093 -9.199 1.00 51.12 C ATOM 758 NZ LYS A 50 -7.994 -7.868 -10.308 1.00 55.11 N ATOM 0 H LYS A 50 -4.342 -3.037 -10.014 1.00 42.10 H new ATOM 0 HA LYS A 50 -3.932 -5.525 -8.764 1.00 32.01 H new ATOM 0 HB2 LYS A 50 -4.848 -4.502 -11.280 1.00 14.55 H new ATOM 0 HB3 LYS A 50 -3.640 -5.728 -11.611 1.00 14.55 H new ATOM 0 HG2 LYS A 50 -5.784 -6.812 -11.534 1.00 74.41 H new ATOM 0 HG3 LYS A 50 -4.886 -7.309 -10.113 1.00 74.41 H new ATOM 0 HD2 LYS A 50 -6.077 -5.415 -8.851 1.00 51.04 H new ATOM 0 HD3 LYS A 50 -7.109 -5.242 -10.257 1.00 51.04 H new ATOM 0 HE2 LYS A 50 -6.772 -7.764 -8.584 1.00 51.12 H new ATOM 0 HE3 LYS A 50 -8.156 -6.689 -8.558 1.00 51.12 H new ATOM 0 HZ1 LYS A 50 -8.670 -8.554 -9.916 1.00 55.11 H new ATOM 0 HZ2 LYS A 50 -8.493 -7.218 -10.949 1.00 55.11 H new ATOM 0 HZ3 LYS A 50 -7.254 -8.374 -10.835 1.00 55.11 H new ATOM 772 N GLU A 51 -1.413 -4.308 -10.508 1.00 51.45 N ATOM 773 CA GLU A 51 0.026 -4.407 -10.731 1.00 54.41 C ATOM 774 C GLU A 51 0.778 -4.387 -9.406 1.00 70.24 C ATOM 775 O GLU A 51 1.733 -5.137 -9.209 1.00 2.30 O ATOM 776 CB GLU A 51 0.506 -3.259 -11.613 1.00 10.42 C ATOM 777 CG GLU A 51 -0.082 -3.292 -13.007 1.00 11.31 C ATOM 778 CD GLU A 51 0.512 -4.386 -13.864 1.00 33.52 C ATOM 779 OE1 GLU A 51 1.733 -4.353 -14.116 1.00 74.50 O ATOM 780 OE2 GLU A 51 -0.241 -5.276 -14.305 1.00 14.54 O ATOM 0 H GLU A 51 -1.848 -3.492 -10.938 1.00 51.45 H new ATOM 0 HA GLU A 51 0.227 -5.352 -11.235 1.00 54.41 H new ATOM 0 HB2 GLU A 51 0.247 -2.312 -11.139 1.00 10.42 H new ATOM 0 HB3 GLU A 51 1.593 -3.293 -11.683 1.00 10.42 H new ATOM 0 HG2 GLU A 51 -1.160 -3.435 -12.939 1.00 11.31 H new ATOM 0 HG3 GLU A 51 0.082 -2.328 -13.489 1.00 11.31 H new ATOM 787 N LEU A 52 0.331 -3.528 -8.502 1.00 4.21 N ATOM 788 CA LEU A 52 0.951 -3.393 -7.191 1.00 24.41 C ATOM 789 C LEU A 52 0.805 -4.677 -6.383 1.00 11.35 C ATOM 790 O LEU A 52 1.789 -5.210 -5.874 1.00 34.01 O ATOM 791 CB LEU A 52 0.331 -2.217 -6.431 1.00 13.31 C ATOM 792 CG LEU A 52 0.601 -0.840 -7.034 1.00 23.10 C ATOM 793 CD1 LEU A 52 -0.040 0.248 -6.190 1.00 61.41 C ATOM 794 CD2 LEU A 52 2.098 -0.605 -7.164 1.00 4.14 C ATOM 0 H LEU A 52 -0.465 -2.909 -8.654 1.00 4.21 H new ATOM 0 HA LEU A 52 2.014 -3.201 -7.336 1.00 24.41 H new ATOM 0 HB2 LEU A 52 -0.747 -2.368 -6.377 1.00 13.31 H new ATOM 0 HB3 LEU A 52 0.706 -2.228 -5.408 1.00 13.31 H new ATOM 0 HG LEU A 52 0.158 -0.805 -8.029 1.00 23.10 H new ATOM 0 HD11 LEU A 52 0.164 1.222 -6.636 1.00 61.41 H new ATOM 0 HD12 LEU A 52 -1.117 0.087 -6.146 1.00 61.41 H new ATOM 0 HD13 LEU A 52 0.373 0.217 -5.182 1.00 61.41 H new ATOM 0 HD21 LEU A 52 2.276 0.380 -7.595 1.00 4.14 H new ATOM 0 HD22 LEU A 52 2.562 -0.659 -6.179 1.00 4.14 H new ATOM 0 HD23 LEU A 52 2.531 -1.368 -7.811 1.00 4.14 H new ATOM 806 N ALA A 53 -0.420 -5.180 -6.290 1.00 75.54 N ATOM 807 CA ALA A 53 -0.697 -6.385 -5.514 1.00 53.42 C ATOM 808 C ALA A 53 0.029 -7.597 -6.094 1.00 25.14 C ATOM 809 O ALA A 53 0.564 -8.429 -5.354 1.00 63.10 O ATOM 810 CB ALA A 53 -2.196 -6.643 -5.460 1.00 62.22 C ATOM 0 H ALA A 53 -1.239 -4.773 -6.742 1.00 75.54 H new ATOM 0 HA ALA A 53 -0.327 -6.226 -4.501 1.00 53.42 H new ATOM 0 HB1 ALA A 53 -2.389 -7.544 -4.878 1.00 62.22 H new ATOM 0 HB2 ALA A 53 -2.695 -5.795 -4.991 1.00 62.22 H new ATOM 0 HB3 ALA A 53 -2.579 -6.775 -6.472 1.00 62.22 H new ATOM 816 N ALA A 54 0.051 -7.685 -7.419 1.00 22.03 N ATOM 817 CA ALA A 54 0.690 -8.800 -8.103 1.00 62.21 C ATOM 818 C ALA A 54 2.197 -8.798 -7.878 1.00 43.21 C ATOM 819 O ALA A 54 2.797 -9.850 -7.669 1.00 44.41 O ATOM 820 CB ALA A 54 0.378 -8.762 -9.591 1.00 40.05 C ATOM 0 H ALA A 54 -0.368 -6.994 -8.042 1.00 22.03 H new ATOM 0 HA ALA A 54 0.288 -9.722 -7.683 1.00 62.21 H new ATOM 0 HB1 ALA A 54 0.864 -9.603 -10.086 1.00 40.05 H new ATOM 0 HB2 ALA A 54 -0.700 -8.828 -9.739 1.00 40.05 H new ATOM 0 HB3 ALA A 54 0.746 -7.828 -10.016 1.00 40.05 H new ATOM 826 N ALA A 55 2.798 -7.615 -7.893 1.00 75.31 N ATOM 827 CA ALA A 55 4.245 -7.495 -7.757 1.00 21.14 C ATOM 828 C ALA A 55 4.684 -7.607 -6.301 1.00 41.34 C ATOM 829 O ALA A 55 5.728 -8.184 -6.005 1.00 24.23 O ATOM 830 CB ALA A 55 4.725 -6.180 -8.353 1.00 42.42 C ATOM 0 H ALA A 55 2.308 -6.727 -7.998 1.00 75.31 H new ATOM 0 HA ALA A 55 4.698 -8.321 -8.305 1.00 21.14 H new ATOM 0 HB1 ALA A 55 5.807 -6.105 -8.244 1.00 42.42 H new ATOM 0 HB2 ALA A 55 4.463 -6.143 -9.410 1.00 42.42 H new ATOM 0 HB3 ALA A 55 4.249 -5.349 -7.832 1.00 42.42 H new ATOM 836 N ALA A 56 3.882 -7.055 -5.396 1.00 74.32 N ATOM 837 CA ALA A 56 4.220 -7.046 -3.979 1.00 70.23 C ATOM 838 C ALA A 56 4.224 -8.453 -3.395 1.00 14.33 C ATOM 839 O ALA A 56 5.224 -8.902 -2.832 1.00 54.01 O ATOM 840 CB ALA A 56 3.250 -6.158 -3.210 1.00 24.31 C ATOM 0 H ALA A 56 2.993 -6.608 -5.620 1.00 74.32 H new ATOM 0 HA ALA A 56 5.228 -6.642 -3.881 1.00 70.23 H new ATOM 0 HB1 ALA A 56 3.514 -6.161 -2.153 1.00 24.31 H new ATOM 0 HB2 ALA A 56 3.305 -5.140 -3.595 1.00 24.31 H new ATOM 0 HB3 ALA A 56 2.235 -6.537 -3.331 1.00 24.31 H new ATOM 846 N SER A 57 3.110 -9.151 -3.538 1.00 1.33 N ATOM 847 CA SER A 57 2.964 -10.463 -2.930 1.00 0.31 C ATOM 848 C SER A 57 3.246 -11.577 -3.923 1.00 12.32 C ATOM 849 O SER A 57 4.099 -12.436 -3.682 1.00 44.53 O ATOM 850 CB SER A 57 1.556 -10.614 -2.361 1.00 0.52 C ATOM 851 OG SER A 57 1.256 -9.546 -1.487 1.00 32.42 O ATOM 0 H SER A 57 2.298 -8.834 -4.067 1.00 1.33 H new ATOM 0 HA SER A 57 3.696 -10.544 -2.126 1.00 0.31 H new ATOM 0 HB2 SER A 57 0.830 -10.641 -3.174 1.00 0.52 H new ATOM 0 HB3 SER A 57 1.473 -11.561 -1.828 1.00 0.52 H new ATOM 0 HG SER A 57 0.376 -9.178 -1.711 1.00 32.42 H new ATOM 857 N SER A 58 2.522 -11.537 -5.036 1.00 60.13 N ATOM 858 CA SER A 58 2.546 -12.582 -6.061 1.00 44.12 C ATOM 859 C SER A 58 1.900 -13.863 -5.539 1.00 12.23 C ATOM 860 O SER A 58 0.843 -14.275 -6.028 1.00 4.24 O ATOM 861 CB SER A 58 3.977 -12.860 -6.546 1.00 24.31 C ATOM 862 OG SER A 58 4.573 -11.691 -7.087 1.00 35.32 O ATOM 0 H SER A 58 1.891 -10.767 -5.258 1.00 60.13 H new ATOM 0 HA SER A 58 1.969 -12.223 -6.913 1.00 44.12 H new ATOM 0 HB2 SER A 58 4.580 -13.228 -5.716 1.00 24.31 H new ATOM 0 HB3 SER A 58 3.961 -13.646 -7.301 1.00 24.31 H new ATOM 0 HG SER A 58 3.955 -10.936 -6.995 1.00 35.32 H new ATOM 868 N ALA A 59 2.520 -14.444 -4.515 1.00 60.22 N ATOM 869 CA ALA A 59 2.106 -15.725 -3.943 1.00 64.44 C ATOM 870 C ALA A 59 2.124 -16.829 -4.996 1.00 31.44 C ATOM 871 O ALA A 59 3.092 -17.582 -5.106 1.00 30.13 O ATOM 872 CB ALA A 59 0.733 -15.619 -3.292 1.00 33.43 C ATOM 0 H ALA A 59 3.333 -14.035 -4.053 1.00 60.22 H new ATOM 0 HA ALA A 59 2.825 -15.988 -3.168 1.00 64.44 H new ATOM 0 HB1 ALA A 59 0.452 -16.586 -2.876 1.00 33.43 H new ATOM 0 HB2 ALA A 59 0.765 -14.876 -2.495 1.00 33.43 H new ATOM 0 HB3 ALA A 59 -0.002 -15.318 -4.039 1.00 33.43 H new ATOM 878 N ASP A 60 1.058 -16.908 -5.775 1.00 63.15 N ATOM 879 CA ASP A 60 0.953 -17.879 -6.850 1.00 13.40 C ATOM 880 C ASP A 60 -0.107 -17.427 -7.838 1.00 11.20 C ATOM 881 O ASP A 60 0.169 -17.216 -9.019 1.00 44.11 O ATOM 882 CB ASP A 60 0.597 -19.263 -6.302 1.00 65.24 C ATOM 883 CG ASP A 60 0.651 -20.333 -7.372 1.00 31.43 C ATOM 884 OD1 ASP A 60 1.756 -20.845 -7.645 1.00 42.31 O ATOM 885 OD2 ASP A 60 -0.407 -20.676 -7.936 1.00 12.32 O ATOM 0 H ASP A 60 0.243 -16.302 -5.680 1.00 63.15 H new ATOM 0 HA ASP A 60 1.918 -17.949 -7.353 1.00 13.40 H new ATOM 0 HB2 ASP A 60 1.285 -19.521 -5.497 1.00 65.24 H new ATOM 0 HB3 ASP A 60 -0.403 -19.234 -5.869 1.00 65.24 H new ATOM 890 N GLU A 61 -1.318 -17.252 -7.331 1.00 21.42 N ATOM 891 CA GLU A 61 -2.439 -16.814 -8.149 1.00 75.14 C ATOM 892 C GLU A 61 -2.923 -15.429 -7.722 1.00 51.22 C ATOM 893 O GLU A 61 -4.005 -14.989 -8.114 1.00 54.30 O ATOM 894 CB GLU A 61 -3.576 -17.832 -8.063 1.00 3.20 C ATOM 895 CG GLU A 61 -3.977 -18.179 -6.640 1.00 21.35 C ATOM 896 CD GLU A 61 -5.081 -19.212 -6.586 1.00 61.04 C ATOM 897 OE1 GLU A 61 -4.808 -20.397 -6.869 1.00 72.20 O ATOM 898 OE2 GLU A 61 -6.230 -18.844 -6.258 1.00 2.44 O ATOM 0 H GLU A 61 -1.550 -17.408 -6.350 1.00 21.42 H new ATOM 0 HA GLU A 61 -2.104 -16.744 -9.184 1.00 75.14 H new ATOM 0 HB2 GLU A 61 -4.445 -17.439 -8.590 1.00 3.20 H new ATOM 0 HB3 GLU A 61 -3.276 -18.744 -8.579 1.00 3.20 H new ATOM 0 HG2 GLU A 61 -3.106 -18.553 -6.101 1.00 21.35 H new ATOM 0 HG3 GLU A 61 -4.304 -17.275 -6.127 1.00 21.35 H new ATOM 905 N GLY A 62 -2.112 -14.742 -6.929 1.00 44.51 N ATOM 906 CA GLY A 62 -2.452 -13.399 -6.501 1.00 54.24 C ATOM 907 C GLY A 62 -2.817 -13.320 -5.032 1.00 24.13 C ATOM 908 O GLY A 62 -2.901 -14.338 -4.349 1.00 23.22 O ATOM 0 H GLY A 62 -1.222 -15.092 -6.573 1.00 44.51 H new ATOM 0 HA2 GLY A 62 -1.608 -12.737 -6.696 1.00 54.24 H new ATOM 0 HA3 GLY A 62 -3.288 -13.034 -7.098 1.00 54.24 H new ATOM 912 N ALA A 63 -3.014 -12.100 -4.551 1.00 61.44 N ATOM 913 CA ALA A 63 -3.404 -11.858 -3.169 1.00 22.12 C ATOM 914 C ALA A 63 -4.914 -11.731 -3.065 1.00 31.43 C ATOM 915 O ALA A 63 -5.598 -11.544 -4.073 1.00 71.21 O ATOM 916 CB ALA A 63 -2.728 -10.599 -2.645 1.00 44.10 C ATOM 0 H ALA A 63 -2.908 -11.251 -5.107 1.00 61.44 H new ATOM 0 HA ALA A 63 -3.084 -12.703 -2.560 1.00 22.12 H new ATOM 0 HB1 ALA A 63 -3.027 -10.429 -1.611 1.00 44.10 H new ATOM 0 HB2 ALA A 63 -1.646 -10.720 -2.694 1.00 44.10 H new ATOM 0 HB3 ALA A 63 -3.026 -9.746 -3.254 1.00 44.10 H new ATOM 922 N SER A 64 -5.433 -11.840 -1.852 1.00 4.20 N ATOM 923 CA SER A 64 -6.858 -11.700 -1.628 1.00 52.31 C ATOM 924 C SER A 64 -7.274 -10.242 -1.757 1.00 74.43 C ATOM 925 O SER A 64 -7.157 -9.465 -0.809 1.00 2.42 O ATOM 926 CB SER A 64 -7.231 -12.242 -0.250 1.00 24.21 C ATOM 927 OG SER A 64 -6.847 -13.600 -0.115 1.00 33.14 O ATOM 0 H SER A 64 -4.887 -12.025 -1.010 1.00 4.20 H new ATOM 0 HA SER A 64 -7.389 -12.278 -2.384 1.00 52.31 H new ATOM 0 HB2 SER A 64 -6.746 -11.645 0.522 1.00 24.21 H new ATOM 0 HB3 SER A 64 -8.306 -12.148 -0.098 1.00 24.21 H new ATOM 0 HG SER A 64 -7.095 -13.923 0.776 1.00 33.14 H new ATOM 933 N VAL A 65 -7.718 -9.870 -2.948 1.00 23.05 N ATOM 934 CA VAL A 65 -8.177 -8.520 -3.202 1.00 62.22 C ATOM 935 C VAL A 65 -9.684 -8.509 -3.437 1.00 24.25 C ATOM 936 O VAL A 65 -10.202 -9.200 -4.318 1.00 32.14 O ATOM 937 CB VAL A 65 -7.435 -7.876 -4.402 1.00 30.54 C ATOM 938 CG1 VAL A 65 -7.509 -8.760 -5.640 1.00 31.31 C ATOM 939 CG2 VAL A 65 -7.993 -6.490 -4.700 1.00 73.22 C ATOM 0 H VAL A 65 -7.769 -10.491 -3.756 1.00 23.05 H new ATOM 0 HA VAL A 65 -7.951 -7.922 -2.319 1.00 62.22 H new ATOM 0 HB VAL A 65 -6.385 -7.775 -4.126 1.00 30.54 H new ATOM 0 HG11 VAL A 65 -6.979 -8.279 -6.462 1.00 31.31 H new ATOM 0 HG12 VAL A 65 -7.049 -9.725 -5.426 1.00 31.31 H new ATOM 0 HG13 VAL A 65 -8.552 -8.909 -5.919 1.00 31.31 H new ATOM 0 HG21 VAL A 65 -7.458 -6.056 -5.545 1.00 73.22 H new ATOM 0 HG22 VAL A 65 -9.053 -6.569 -4.943 1.00 73.22 H new ATOM 0 HG23 VAL A 65 -7.868 -5.852 -3.825 1.00 73.22 H new ATOM 949 N ALA A 66 -10.385 -7.760 -2.608 1.00 5.31 N ATOM 950 CA ALA A 66 -11.820 -7.601 -2.744 1.00 71.52 C ATOM 951 C ALA A 66 -12.188 -6.131 -2.656 1.00 11.22 C ATOM 952 O ALA A 66 -12.250 -5.565 -1.569 1.00 11.23 O ATOM 953 CB ALA A 66 -12.552 -8.398 -1.677 1.00 25.13 C ATOM 0 H ALA A 66 -9.979 -7.247 -1.825 1.00 5.31 H new ATOM 0 HA ALA A 66 -12.123 -7.983 -3.719 1.00 71.52 H new ATOM 0 HB1 ALA A 66 -13.627 -8.265 -1.797 1.00 25.13 H new ATOM 0 HB2 ALA A 66 -12.304 -9.455 -1.778 1.00 25.13 H new ATOM 0 HB3 ALA A 66 -12.251 -8.047 -0.690 1.00 25.13 H new ATOM 959 N TYR A 67 -12.392 -5.504 -3.800 1.00 14.22 N ATOM 960 CA TYR A 67 -12.727 -4.092 -3.827 1.00 32.43 C ATOM 961 C TYR A 67 -14.225 -3.915 -4.000 1.00 43.12 C ATOM 962 O TYR A 67 -14.861 -4.641 -4.766 1.00 35.42 O ATOM 963 CB TYR A 67 -11.967 -3.364 -4.948 1.00 10.31 C ATOM 964 CG TYR A 67 -12.475 -3.646 -6.349 1.00 21.33 C ATOM 965 CD1 TYR A 67 -12.190 -4.842 -6.994 1.00 33.35 C ATOM 966 CD2 TYR A 67 -13.236 -2.702 -7.029 1.00 41.14 C ATOM 967 CE1 TYR A 67 -12.653 -5.091 -8.273 1.00 2.12 C ATOM 968 CE2 TYR A 67 -13.701 -2.943 -8.306 1.00 11.13 C ATOM 969 CZ TYR A 67 -13.406 -4.136 -8.925 1.00 11.45 C ATOM 970 OH TYR A 67 -13.863 -4.370 -10.203 1.00 63.22 O ATOM 0 H TYR A 67 -12.332 -5.946 -4.717 1.00 14.22 H new ATOM 0 HA TYR A 67 -12.426 -3.651 -2.877 1.00 32.43 H new ATOM 0 HB2 TYR A 67 -12.021 -2.291 -4.766 1.00 10.31 H new ATOM 0 HB3 TYR A 67 -10.915 -3.644 -4.895 1.00 10.31 H new ATOM 0 HD1 TYR A 67 -11.597 -5.590 -6.489 1.00 33.35 H new ATOM 0 HD2 TYR A 67 -13.468 -1.763 -6.549 1.00 41.14 H new ATOM 0 HE1 TYR A 67 -12.426 -6.028 -8.759 1.00 2.12 H new ATOM 0 HE2 TYR A 67 -14.294 -2.199 -8.817 1.00 11.13 H new ATOM 0 HH TYR A 67 -13.933 -3.520 -10.686 1.00 63.22 H new ATOM 980 N LYS A 68 -14.789 -2.975 -3.269 1.00 54.13 N ATOM 981 CA LYS A 68 -16.188 -2.649 -3.424 1.00 13.34 C ATOM 982 C LYS A 68 -16.327 -1.242 -3.969 1.00 60.11 C ATOM 983 O LYS A 68 -15.435 -0.402 -3.802 1.00 53.32 O ATOM 984 CB LYS A 68 -16.944 -2.765 -2.098 1.00 74.25 C ATOM 985 CG LYS A 68 -16.588 -1.679 -1.096 1.00 11.35 C ATOM 986 CD LYS A 68 -17.595 -1.616 0.039 1.00 2.45 C ATOM 987 CE LYS A 68 -17.252 -0.524 1.039 1.00 3.42 C ATOM 988 NZ LYS A 68 -16.195 -0.950 1.992 1.00 74.21 N ATOM 0 H LYS A 68 -14.299 -2.425 -2.563 1.00 54.13 H new ATOM 0 HA LYS A 68 -16.624 -3.363 -4.123 1.00 13.34 H new ATOM 0 HB2 LYS A 68 -18.015 -2.728 -2.296 1.00 74.25 H new ATOM 0 HB3 LYS A 68 -16.736 -3.739 -1.655 1.00 74.25 H new ATOM 0 HG2 LYS A 68 -15.594 -1.868 -0.691 1.00 11.35 H new ATOM 0 HG3 LYS A 68 -16.548 -0.715 -1.602 1.00 11.35 H new ATOM 0 HD2 LYS A 68 -18.590 -1.437 -0.368 1.00 2.45 H new ATOM 0 HD3 LYS A 68 -17.628 -2.579 0.549 1.00 2.45 H new ATOM 0 HE2 LYS A 68 -16.920 0.365 0.504 1.00 3.42 H new ATOM 0 HE3 LYS A 68 -18.148 -0.246 1.593 1.00 3.42 H new ATOM 0 HZ1 LYS A 68 -16.064 -0.216 2.717 1.00 74.21 H new ATOM 0 HZ2 LYS A 68 -16.478 -1.841 2.449 1.00 74.21 H new ATOM 0 HZ3 LYS A 68 -15.302 -1.093 1.479 1.00 74.21 H new ATOM 1002 N ILE A 69 -17.444 -0.992 -4.613 1.00 75.41 N ATOM 1003 CA ILE A 69 -17.739 0.316 -5.157 1.00 41.41 C ATOM 1004 C ILE A 69 -19.075 0.795 -4.618 1.00 24.23 C ATOM 1005 O ILE A 69 -20.117 0.180 -4.854 1.00 1.55 O ATOM 1006 CB ILE A 69 -17.773 0.316 -6.699 1.00 63.13 C ATOM 1007 CG1 ILE A 69 -16.438 -0.185 -7.263 1.00 53.35 C ATOM 1008 CG2 ILE A 69 -18.077 1.716 -7.213 1.00 44.43 C ATOM 1009 CD1 ILE A 69 -16.394 -0.238 -8.775 1.00 45.12 C ATOM 0 H ILE A 69 -18.173 -1.687 -4.775 1.00 75.41 H new ATOM 0 HA ILE A 69 -16.939 0.990 -4.849 1.00 41.41 H new ATOM 0 HB ILE A 69 -18.561 -0.359 -7.034 1.00 63.13 H new ATOM 0 HG12 ILE A 69 -15.638 0.465 -6.908 1.00 53.35 H new ATOM 0 HG13 ILE A 69 -16.239 -1.181 -6.868 1.00 53.35 H new ATOM 0 HG21 ILE A 69 -18.099 1.707 -8.303 1.00 44.43 H new ATOM 0 HG22 ILE A 69 -19.046 2.041 -6.833 1.00 44.43 H new ATOM 0 HG23 ILE A 69 -17.304 2.405 -6.872 1.00 44.43 H new ATOM 0 HD11 ILE A 69 -15.419 -0.602 -9.098 1.00 45.12 H new ATOM 0 HD12 ILE A 69 -17.171 -0.911 -9.138 1.00 45.12 H new ATOM 0 HD13 ILE A 69 -16.561 0.760 -9.179 1.00 45.12 H new ATOM 1021 N LYS A 70 -19.033 1.865 -3.854 1.00 70.32 N ATOM 1022 CA LYS A 70 -20.232 2.428 -3.278 1.00 44.31 C ATOM 1023 C LYS A 70 -20.696 3.602 -4.111 1.00 51.05 C ATOM 1024 O LYS A 70 -20.199 4.721 -3.983 1.00 3.10 O ATOM 1025 CB LYS A 70 -19.969 2.854 -1.849 1.00 22.32 C ATOM 1026 CG LYS A 70 -21.206 3.254 -1.067 1.00 21.44 C ATOM 1027 CD LYS A 70 -20.836 3.746 0.325 1.00 64.15 C ATOM 1028 CE LYS A 70 -20.119 2.670 1.131 1.00 42.41 C ATOM 1029 NZ LYS A 70 -19.652 3.184 2.447 1.00 12.43 N ATOM 0 H LYS A 70 -18.176 2.364 -3.617 1.00 70.32 H new ATOM 0 HA LYS A 70 -21.019 1.674 -3.271 1.00 44.31 H new ATOM 0 HB2 LYS A 70 -19.474 2.036 -1.326 1.00 22.32 H new ATOM 0 HB3 LYS A 70 -19.274 3.694 -1.857 1.00 22.32 H new ATOM 0 HG2 LYS A 70 -21.742 4.037 -1.603 1.00 21.44 H new ATOM 0 HG3 LYS A 70 -21.882 2.402 -0.988 1.00 21.44 H new ATOM 0 HD2 LYS A 70 -20.197 4.625 0.242 1.00 64.15 H new ATOM 0 HD3 LYS A 70 -21.738 4.056 0.853 1.00 64.15 H new ATOM 0 HE2 LYS A 70 -20.790 1.826 1.288 1.00 42.41 H new ATOM 0 HE3 LYS A 70 -19.266 2.298 0.563 1.00 42.41 H new ATOM 0 HZ1 LYS A 70 -19.199 2.414 2.980 1.00 12.43 H new ATOM 0 HZ2 LYS A 70 -18.966 3.951 2.296 1.00 12.43 H new ATOM 0 HZ3 LYS A 70 -20.464 3.547 2.986 1.00 12.43 H new ATOM 1043 N ASP A 71 -21.623 3.307 -4.983 1.00 12.41 N ATOM 1044 CA ASP A 71 -22.186 4.289 -5.895 1.00 75.45 C ATOM 1045 C ASP A 71 -23.082 5.249 -5.126 1.00 72.43 C ATOM 1046 O ASP A 71 -24.192 4.888 -4.730 1.00 23.54 O ATOM 1047 CB ASP A 71 -22.989 3.596 -6.998 1.00 74.52 C ATOM 1048 CG ASP A 71 -22.119 2.831 -7.976 1.00 24.50 C ATOM 1049 OD1 ASP A 71 -21.742 1.681 -7.665 1.00 45.11 O ATOM 1050 OD2 ASP A 71 -21.841 3.359 -9.074 1.00 72.12 O ATOM 0 H ASP A 71 -22.018 2.372 -5.088 1.00 12.41 H new ATOM 0 HA ASP A 71 -21.372 4.847 -6.357 1.00 75.45 H new ATOM 0 HB2 ASP A 71 -23.703 2.910 -6.543 1.00 74.52 H new ATOM 0 HB3 ASP A 71 -23.567 4.343 -7.542 1.00 74.52 H new ATOM 1055 N LEU A 72 -22.595 6.458 -4.897 1.00 32.31 N ATOM 1056 CA LEU A 72 -23.310 7.430 -4.081 1.00 3.34 C ATOM 1057 C LEU A 72 -23.919 8.525 -4.943 1.00 54.22 C ATOM 1058 O LEU A 72 -23.912 8.450 -6.175 1.00 12.30 O ATOM 1059 CB LEU A 72 -22.364 8.055 -3.046 1.00 60.24 C ATOM 1060 CG LEU A 72 -21.757 7.075 -2.046 1.00 11.34 C ATOM 1061 CD1 LEU A 72 -20.757 7.783 -1.151 1.00 71.05 C ATOM 1062 CD2 LEU A 72 -22.848 6.421 -1.210 1.00 54.01 C ATOM 0 H LEU A 72 -21.704 6.792 -5.266 1.00 32.31 H new ATOM 0 HA LEU A 72 -24.115 6.906 -3.565 1.00 3.34 H new ATOM 0 HB2 LEU A 72 -21.554 8.558 -3.575 1.00 60.24 H new ATOM 0 HB3 LEU A 72 -22.909 8.821 -2.495 1.00 60.24 H new ATOM 0 HG LEU A 72 -21.234 6.296 -2.601 1.00 11.34 H new ATOM 0 HD11 LEU A 72 -20.333 7.070 -0.444 1.00 71.05 H new ATOM 0 HD12 LEU A 72 -19.959 8.207 -1.761 1.00 71.05 H new ATOM 0 HD13 LEU A 72 -21.259 8.581 -0.605 1.00 71.05 H new ATOM 0 HD21 LEU A 72 -22.397 5.725 -0.503 1.00 54.01 H new ATOM 0 HD22 LEU A 72 -23.397 7.188 -0.664 1.00 54.01 H new ATOM 0 HD23 LEU A 72 -23.533 5.880 -1.864 1.00 54.01 H new ATOM 1074 N GLU A 73 -24.459 9.534 -4.283 1.00 41.54 N ATOM 1075 CA GLU A 73 -25.041 10.677 -4.962 1.00 53.14 C ATOM 1076 C GLU A 73 -23.950 11.638 -5.429 1.00 65.03 C ATOM 1077 O GLU A 73 -23.378 12.385 -4.631 1.00 4.00 O ATOM 1078 CB GLU A 73 -26.022 11.392 -4.029 1.00 73.52 C ATOM 1079 CG GLU A 73 -26.742 12.572 -4.664 1.00 3.51 C ATOM 1080 CD GLU A 73 -27.751 13.196 -3.725 1.00 5.23 C ATOM 1081 OE1 GLU A 73 -27.377 14.113 -2.962 1.00 30.14 O ATOM 1082 OE2 GLU A 73 -28.923 12.763 -3.736 1.00 24.43 O ATOM 0 H GLU A 73 -24.506 9.584 -3.265 1.00 41.54 H new ATOM 0 HA GLU A 73 -25.582 10.325 -5.841 1.00 53.14 H new ATOM 0 HB2 GLU A 73 -26.764 10.673 -3.681 1.00 73.52 H new ATOM 0 HB3 GLU A 73 -25.480 11.742 -3.150 1.00 73.52 H new ATOM 0 HG2 GLU A 73 -26.011 13.324 -4.962 1.00 3.51 H new ATOM 0 HG3 GLU A 73 -27.248 12.242 -5.571 1.00 3.51 H new ATOM 1089 N GLY A 74 -23.633 11.577 -6.715 1.00 33.32 N ATOM 1090 CA GLY A 74 -22.696 12.519 -7.296 1.00 44.34 C ATOM 1091 C GLY A 74 -21.262 12.026 -7.274 1.00 22.12 C ATOM 1092 O GLY A 74 -20.376 12.668 -7.834 1.00 23.32 O ATOM 0 H GLY A 74 -24.009 10.890 -7.368 1.00 33.32 H new ATOM 0 HA2 GLY A 74 -22.988 12.723 -8.326 1.00 44.34 H new ATOM 0 HA3 GLY A 74 -22.757 13.463 -6.755 1.00 44.34 H new ATOM 1096 N GLN A 75 -21.032 10.888 -6.632 1.00 74.34 N ATOM 1097 CA GLN A 75 -19.690 10.333 -6.515 1.00 1.12 C ATOM 1098 C GLN A 75 -19.753 8.878 -6.072 1.00 74.23 C ATOM 1099 O GLN A 75 -20.833 8.358 -5.812 1.00 63.34 O ATOM 1100 CB GLN A 75 -18.864 11.145 -5.519 1.00 0.42 C ATOM 1101 CG GLN A 75 -19.466 11.211 -4.124 1.00 4.32 C ATOM 1102 CD GLN A 75 -18.750 12.208 -3.241 1.00 24.15 C ATOM 1103 OE1 GLN A 75 -19.120 13.379 -3.189 1.00 30.02 O ATOM 1104 NE2 GLN A 75 -17.715 11.757 -2.553 1.00 0.30 N ATOM 0 H GLN A 75 -21.759 10.330 -6.184 1.00 74.34 H new ATOM 0 HA GLN A 75 -19.212 10.382 -7.493 1.00 1.12 H new ATOM 0 HB2 GLN A 75 -17.866 10.712 -5.453 1.00 0.42 H new ATOM 0 HB3 GLN A 75 -18.747 12.159 -5.901 1.00 0.42 H new ATOM 0 HG2 GLN A 75 -20.519 11.483 -4.197 1.00 4.32 H new ATOM 0 HG3 GLN A 75 -19.423 10.224 -3.664 1.00 4.32 H new ATOM 0 HE21 GLN A 75 -17.442 10.777 -2.626 1.00 0.30 H new ATOM 0 HE22 GLN A 75 -17.189 12.389 -1.949 1.00 0.30 H new ATOM 1113 N VAL A 76 -18.603 8.225 -5.980 1.00 12.40 N ATOM 1114 CA VAL A 76 -18.555 6.839 -5.538 1.00 12.52 C ATOM 1115 C VAL A 76 -17.441 6.627 -4.524 1.00 21.14 C ATOM 1116 O VAL A 76 -16.463 7.376 -4.492 1.00 13.23 O ATOM 1117 CB VAL A 76 -18.341 5.863 -6.714 1.00 33.41 C ATOM 1118 CG1 VAL A 76 -19.492 5.940 -7.708 1.00 62.54 C ATOM 1119 CG2 VAL A 76 -17.012 6.138 -7.399 1.00 45.10 C ATOM 0 H VAL A 76 -17.695 8.631 -6.205 1.00 12.40 H new ATOM 0 HA VAL A 76 -19.521 6.631 -5.078 1.00 12.52 H new ATOM 0 HB VAL A 76 -18.317 4.849 -6.314 1.00 33.41 H new ATOM 0 HG11 VAL A 76 -19.314 5.242 -8.526 1.00 62.54 H new ATOM 0 HG12 VAL A 76 -20.424 5.681 -7.206 1.00 62.54 H new ATOM 0 HG13 VAL A 76 -19.563 6.953 -8.105 1.00 62.54 H new ATOM 0 HG21 VAL A 76 -16.878 5.441 -8.226 1.00 45.10 H new ATOM 0 HG22 VAL A 76 -17.004 7.159 -7.781 1.00 45.10 H new ATOM 0 HG23 VAL A 76 -16.200 6.012 -6.682 1.00 45.10 H new ATOM 1129 N GLU A 77 -17.607 5.611 -3.695 1.00 64.31 N ATOM 1130 CA GLU A 77 -16.584 5.210 -2.743 1.00 54.22 C ATOM 1131 C GLU A 77 -15.912 3.928 -3.227 1.00 72.55 C ATOM 1132 O GLU A 77 -16.553 2.881 -3.315 1.00 71.12 O ATOM 1133 CB GLU A 77 -17.214 4.982 -1.365 1.00 13.33 C ATOM 1134 CG GLU A 77 -16.217 4.590 -0.286 1.00 24.21 C ATOM 1135 CD GLU A 77 -16.890 4.066 0.968 1.00 31.23 C ATOM 1136 OE1 GLU A 77 -17.546 4.858 1.680 1.00 11.13 O ATOM 1137 OE2 GLU A 77 -16.782 2.856 1.243 1.00 33.51 O ATOM 0 H GLU A 77 -18.453 5.041 -3.662 1.00 64.31 H new ATOM 0 HA GLU A 77 -15.837 6.000 -2.663 1.00 54.22 H new ATOM 0 HB2 GLU A 77 -17.728 5.892 -1.057 1.00 13.33 H new ATOM 0 HB3 GLU A 77 -17.970 4.201 -1.447 1.00 13.33 H new ATOM 0 HG2 GLU A 77 -15.544 3.828 -0.678 1.00 24.21 H new ATOM 0 HG3 GLU A 77 -15.605 5.455 -0.031 1.00 24.21 H new ATOM 1144 N LEU A 78 -14.636 4.017 -3.558 1.00 73.31 N ATOM 1145 CA LEU A 78 -13.874 2.845 -3.956 1.00 11.45 C ATOM 1146 C LEU A 78 -13.085 2.344 -2.759 1.00 42.55 C ATOM 1147 O LEU A 78 -12.198 3.035 -2.257 1.00 44.12 O ATOM 1148 CB LEU A 78 -12.944 3.181 -5.141 1.00 42.14 C ATOM 1149 CG LEU A 78 -12.175 2.008 -5.785 1.00 25.53 C ATOM 1150 CD1 LEU A 78 -10.961 1.613 -4.957 1.00 11.01 C ATOM 1151 CD2 LEU A 78 -13.088 0.808 -5.984 1.00 51.35 C ATOM 0 H LEU A 78 -14.105 4.888 -3.559 1.00 73.31 H new ATOM 0 HA LEU A 78 -14.551 2.059 -4.289 1.00 11.45 H new ATOM 0 HB2 LEU A 78 -13.543 3.659 -5.916 1.00 42.14 H new ATOM 0 HB3 LEU A 78 -12.216 3.917 -4.801 1.00 42.14 H new ATOM 0 HG LEU A 78 -11.822 2.346 -6.759 1.00 25.53 H new ATOM 0 HD11 LEU A 78 -10.444 0.784 -5.441 1.00 11.01 H new ATOM 0 HD12 LEU A 78 -10.285 2.464 -4.874 1.00 11.01 H new ATOM 0 HD13 LEU A 78 -11.283 1.308 -3.961 1.00 11.01 H new ATOM 0 HD21 LEU A 78 -12.524 -0.006 -6.439 1.00 51.35 H new ATOM 0 HD22 LEU A 78 -13.479 0.484 -5.019 1.00 51.35 H new ATOM 0 HD23 LEU A 78 -13.916 1.085 -6.636 1.00 51.35 H new ATOM 1163 N ASP A 79 -13.420 1.154 -2.294 1.00 75.25 N ATOM 1164 CA ASP A 79 -12.743 0.576 -1.143 1.00 32.01 C ATOM 1165 C ASP A 79 -12.229 -0.813 -1.473 1.00 11.31 C ATOM 1166 O ASP A 79 -13.009 -1.743 -1.673 1.00 61.43 O ATOM 1167 CB ASP A 79 -13.673 0.515 0.068 1.00 21.44 C ATOM 1168 CG ASP A 79 -13.018 -0.161 1.260 1.00 2.55 C ATOM 1169 OD1 ASP A 79 -11.957 0.317 1.705 1.00 24.20 O ATOM 1170 OD2 ASP A 79 -13.581 -1.158 1.764 1.00 34.11 O ATOM 0 H ASP A 79 -14.154 0.569 -2.693 1.00 75.25 H new ATOM 0 HA ASP A 79 -11.898 1.218 -0.895 1.00 32.01 H new ATOM 0 HB2 ASP A 79 -13.973 1.526 0.345 1.00 21.44 H new ATOM 0 HB3 ASP A 79 -14.581 -0.025 -0.200 1.00 21.44 H new ATOM 1175 N ALA A 80 -10.919 -0.944 -1.550 1.00 72.35 N ATOM 1176 CA ALA A 80 -10.311 -2.212 -1.891 1.00 53.52 C ATOM 1177 C ALA A 80 -9.729 -2.882 -0.657 1.00 22.14 C ATOM 1178 O ALA A 80 -8.911 -2.295 0.051 1.00 33.14 O ATOM 1179 CB ALA A 80 -9.244 -2.011 -2.953 1.00 63.04 C ATOM 0 H ALA A 80 -10.257 -0.187 -1.381 1.00 72.35 H new ATOM 0 HA ALA A 80 -11.081 -2.869 -2.294 1.00 53.52 H new ATOM 0 HB1 ALA A 80 -8.793 -2.972 -3.202 1.00 63.04 H new ATOM 0 HB2 ALA A 80 -9.696 -1.580 -3.846 1.00 63.04 H new ATOM 0 HB3 ALA A 80 -8.476 -1.337 -2.574 1.00 63.04 H new ATOM 1185 N ALA A 81 -10.163 -4.106 -0.400 1.00 74.33 N ATOM 1186 CA ALA A 81 -9.662 -4.874 0.725 1.00 61.14 C ATOM 1187 C ALA A 81 -8.545 -5.806 0.286 1.00 60.32 C ATOM 1188 O ALA A 81 -8.781 -6.776 -0.438 1.00 12.05 O ATOM 1189 CB ALA A 81 -10.786 -5.672 1.368 1.00 65.10 C ATOM 0 H ALA A 81 -10.865 -4.590 -0.960 1.00 74.33 H new ATOM 0 HA ALA A 81 -9.262 -4.176 1.460 1.00 61.14 H new ATOM 0 HB1 ALA A 81 -10.392 -6.242 2.210 1.00 65.10 H new ATOM 0 HB2 ALA A 81 -11.560 -4.991 1.721 1.00 65.10 H new ATOM 0 HB3 ALA A 81 -11.212 -6.356 0.634 1.00 65.10 H new ATOM 1195 N PHE A 82 -7.330 -5.501 0.708 1.00 64.42 N ATOM 1196 CA PHE A 82 -6.178 -6.327 0.387 1.00 25.45 C ATOM 1197 C PHE A 82 -5.788 -7.187 1.578 1.00 3.11 C ATOM 1198 O PHE A 82 -5.549 -6.676 2.671 1.00 61.35 O ATOM 1199 CB PHE A 82 -4.997 -5.454 -0.035 1.00 2.14 C ATOM 1200 CG PHE A 82 -5.184 -4.789 -1.370 1.00 21.31 C ATOM 1201 CD1 PHE A 82 -5.781 -3.541 -1.462 1.00 3.11 C ATOM 1202 CD2 PHE A 82 -4.764 -5.414 -2.531 1.00 31.12 C ATOM 1203 CE1 PHE A 82 -5.952 -2.931 -2.688 1.00 71.44 C ATOM 1204 CE2 PHE A 82 -4.933 -4.808 -3.762 1.00 73.00 C ATOM 1205 CZ PHE A 82 -5.527 -3.564 -3.840 1.00 3.02 C ATOM 0 H PHE A 82 -7.115 -4.682 1.277 1.00 64.42 H new ATOM 0 HA PHE A 82 -6.448 -6.981 -0.443 1.00 25.45 H new ATOM 0 HB2 PHE A 82 -4.834 -4.688 0.723 1.00 2.14 H new ATOM 0 HB3 PHE A 82 -4.096 -6.067 -0.067 1.00 2.14 H new ATOM 0 HD1 PHE A 82 -6.116 -3.041 -0.565 1.00 3.11 H new ATOM 0 HD2 PHE A 82 -4.299 -6.387 -2.475 1.00 31.12 H new ATOM 0 HE1 PHE A 82 -6.418 -1.959 -2.747 1.00 71.44 H new ATOM 0 HE2 PHE A 82 -4.601 -5.307 -4.661 1.00 73.00 H new ATOM 0 HZ PHE A 82 -5.659 -3.087 -4.800 1.00 3.02 H new ATOM 1215 N THR A 83 -5.732 -8.492 1.366 1.00 24.12 N ATOM 1216 CA THR A 83 -5.375 -9.413 2.426 1.00 21.42 C ATOM 1217 C THR A 83 -4.061 -10.102 2.091 1.00 44.14 C ATOM 1218 O THR A 83 -4.000 -10.949 1.196 1.00 51.11 O ATOM 1219 CB THR A 83 -6.473 -10.470 2.636 1.00 43.52 C ATOM 1220 OG1 THR A 83 -7.753 -9.825 2.687 1.00 2.23 O ATOM 1221 CG2 THR A 83 -6.247 -11.247 3.923 1.00 2.23 C ATOM 0 H THR A 83 -5.930 -8.935 0.469 1.00 24.12 H new ATOM 0 HA THR A 83 -5.266 -8.842 3.348 1.00 21.42 H new ATOM 0 HB THR A 83 -6.439 -11.170 1.801 1.00 43.52 H new ATOM 0 HG1 THR A 83 -8.453 -10.498 2.819 1.00 2.23 H new ATOM 0 HG21 THR A 83 -7.038 -11.987 4.045 1.00 2.23 H new ATOM 0 HG22 THR A 83 -5.282 -11.752 3.879 1.00 2.23 H new ATOM 0 HG23 THR A 83 -6.259 -10.560 4.769 1.00 2.23 H new ATOM 1229 N PHE A 84 -3.013 -9.713 2.796 1.00 75.41 N ATOM 1230 CA PHE A 84 -1.688 -10.253 2.553 1.00 12.13 C ATOM 1231 C PHE A 84 -1.362 -11.336 3.570 1.00 12.43 C ATOM 1232 O PHE A 84 -1.803 -11.272 4.717 1.00 11.00 O ATOM 1233 CB PHE A 84 -0.648 -9.133 2.612 1.00 44.12 C ATOM 1234 CG PHE A 84 -0.939 -8.004 1.663 1.00 14.04 C ATOM 1235 CD1 PHE A 84 -0.741 -8.162 0.303 1.00 22.45 C ATOM 1236 CD2 PHE A 84 -1.414 -6.790 2.128 1.00 43.31 C ATOM 1237 CE1 PHE A 84 -1.008 -7.131 -0.577 1.00 71.43 C ATOM 1238 CE2 PHE A 84 -1.684 -5.755 1.255 1.00 42.42 C ATOM 1239 CZ PHE A 84 -1.480 -5.926 -0.101 1.00 32.23 C ATOM 0 H PHE A 84 -3.055 -9.022 3.545 1.00 75.41 H new ATOM 0 HA PHE A 84 -1.667 -10.699 1.559 1.00 12.13 H new ATOM 0 HB2 PHE A 84 -0.602 -8.742 3.628 1.00 44.12 H new ATOM 0 HB3 PHE A 84 0.335 -9.546 2.385 1.00 44.12 H new ATOM 0 HD1 PHE A 84 -0.373 -9.104 -0.076 1.00 22.45 H new ATOM 0 HD2 PHE A 84 -1.575 -6.651 3.187 1.00 43.31 H new ATOM 0 HE1 PHE A 84 -0.847 -7.269 -1.636 1.00 71.43 H new ATOM 0 HE2 PHE A 84 -2.054 -4.813 1.631 1.00 42.42 H new ATOM 0 HZ PHE A 84 -1.690 -5.118 -0.786 1.00 32.23 H new ATOM 1249 N SER A 85 -0.606 -12.336 3.136 1.00 44.21 N ATOM 1250 CA SER A 85 -0.221 -13.444 3.998 1.00 2.51 C ATOM 1251 C SER A 85 0.652 -12.955 5.152 1.00 61.31 C ATOM 1252 O SER A 85 0.544 -13.444 6.279 1.00 13.13 O ATOM 1253 CB SER A 85 0.531 -14.493 3.177 1.00 23.00 C ATOM 1254 OG SER A 85 -0.135 -14.741 1.948 1.00 63.43 O ATOM 0 H SER A 85 -0.245 -12.402 2.184 1.00 44.21 H new ATOM 0 HA SER A 85 -1.122 -13.890 4.419 1.00 2.51 H new ATOM 0 HB2 SER A 85 1.547 -14.150 2.983 1.00 23.00 H new ATOM 0 HB3 SER A 85 0.611 -15.419 3.746 1.00 23.00 H new ATOM 0 HG SER A 85 0.362 -15.413 1.436 1.00 63.43 H new ATOM 1260 N CYS A 86 1.498 -11.974 4.867 1.00 73.11 N ATOM 1261 CA CYS A 86 2.406 -11.434 5.864 1.00 63.23 C ATOM 1262 C CYS A 86 2.326 -9.912 5.884 1.00 23.52 C ATOM 1263 O CYS A 86 1.834 -9.296 4.936 1.00 51.31 O ATOM 1264 CB CYS A 86 3.836 -11.881 5.564 1.00 60.54 C ATOM 1265 SG CYS A 86 4.022 -13.667 5.359 1.00 21.13 S ATOM 0 H CYS A 86 1.573 -11.536 3.949 1.00 73.11 H new ATOM 0 HA CYS A 86 2.115 -11.811 6.844 1.00 63.23 H new ATOM 0 HB2 CYS A 86 4.178 -11.384 4.656 1.00 60.54 H new ATOM 0 HB3 CYS A 86 4.487 -11.549 6.373 1.00 60.54 H new ATOM 0 HG CYS A 86 5.266 -13.948 5.106 1.00 21.13 H new ATOM 1271 N GLN A 87 2.813 -9.310 6.960 1.00 10.24 N ATOM 1272 CA GLN A 87 2.829 -7.859 7.089 1.00 5.55 C ATOM 1273 C GLN A 87 3.847 -7.248 6.131 1.00 52.44 C ATOM 1274 O GLN A 87 3.698 -6.104 5.699 1.00 15.42 O ATOM 1275 CB GLN A 87 3.129 -7.459 8.538 1.00 43.40 C ATOM 1276 CG GLN A 87 3.396 -5.973 8.725 1.00 34.14 C ATOM 1277 CD GLN A 87 3.220 -5.526 10.160 1.00 31.02 C ATOM 1278 OE1 GLN A 87 4.157 -5.555 10.959 1.00 21.33 O ATOM 1279 NE2 GLN A 87 2.014 -5.103 10.492 1.00 23.33 N ATOM 0 H GLN A 87 3.204 -9.807 7.760 1.00 10.24 H new ATOM 0 HA GLN A 87 1.845 -7.473 6.825 1.00 5.55 H new ATOM 0 HB2 GLN A 87 2.287 -7.749 9.166 1.00 43.40 H new ATOM 0 HB3 GLN A 87 3.995 -8.021 8.888 1.00 43.40 H new ATOM 0 HG2 GLN A 87 4.411 -5.746 8.400 1.00 34.14 H new ATOM 0 HG3 GLN A 87 2.722 -5.403 8.086 1.00 34.14 H new ATOM 0 HE21 GLN A 87 1.267 -5.096 9.798 1.00 23.33 H new ATOM 0 HE22 GLN A 87 1.830 -4.783 11.443 1.00 23.33 H new ATOM 1288 N ALA A 88 4.865 -8.030 5.787 1.00 64.22 N ATOM 1289 CA ALA A 88 5.885 -7.596 4.842 1.00 31.13 C ATOM 1290 C ALA A 88 5.252 -7.170 3.521 1.00 72.11 C ATOM 1291 O ALA A 88 5.593 -6.126 2.970 1.00 63.44 O ATOM 1292 CB ALA A 88 6.901 -8.708 4.614 1.00 11.20 C ATOM 0 H ALA A 88 5.005 -8.972 6.151 1.00 64.22 H new ATOM 0 HA ALA A 88 6.401 -6.734 5.264 1.00 31.13 H new ATOM 0 HB1 ALA A 88 7.657 -8.370 3.906 1.00 11.20 H new ATOM 0 HB2 ALA A 88 7.378 -8.964 5.560 1.00 11.20 H new ATOM 0 HB3 ALA A 88 6.395 -9.586 4.213 1.00 11.20 H new ATOM 1298 N GLU A 89 4.298 -7.965 3.044 1.00 51.32 N ATOM 1299 CA GLU A 89 3.618 -7.682 1.782 1.00 64.10 C ATOM 1300 C GLU A 89 2.756 -6.428 1.915 1.00 55.00 C ATOM 1301 O GLU A 89 2.526 -5.711 0.944 1.00 30.01 O ATOM 1302 CB GLU A 89 2.711 -8.852 1.377 1.00 13.44 C ATOM 1303 CG GLU A 89 3.110 -10.210 1.940 1.00 12.45 C ATOM 1304 CD GLU A 89 4.432 -10.717 1.411 1.00 10.41 C ATOM 1305 OE1 GLU A 89 4.556 -10.902 0.186 1.00 44.03 O ATOM 1306 OE2 GLU A 89 5.342 -10.959 2.226 1.00 3.14 O ATOM 0 H GLU A 89 3.977 -8.812 3.513 1.00 51.32 H new ATOM 0 HA GLU A 89 4.383 -7.532 1.020 1.00 64.10 H new ATOM 0 HB2 GLU A 89 1.693 -8.629 1.697 1.00 13.44 H new ATOM 0 HB3 GLU A 89 2.695 -8.918 0.289 1.00 13.44 H new ATOM 0 HG2 GLU A 89 3.164 -10.142 3.027 1.00 12.45 H new ATOM 0 HG3 GLU A 89 2.331 -10.935 1.704 1.00 12.45 H new ATOM 1313 N MET A 90 2.285 -6.174 3.127 1.00 50.40 N ATOM 1314 CA MET A 90 1.380 -5.061 3.381 1.00 34.04 C ATOM 1315 C MET A 90 2.145 -3.742 3.368 1.00 71.22 C ATOM 1316 O MET A 90 1.765 -2.801 2.673 1.00 62.00 O ATOM 1317 CB MET A 90 0.672 -5.269 4.729 1.00 61.23 C ATOM 1318 CG MET A 90 -0.566 -4.403 4.939 1.00 11.31 C ATOM 1319 SD MET A 90 -0.191 -2.673 5.276 1.00 41.15 S ATOM 1320 CE MET A 90 0.668 -2.800 6.842 1.00 1.52 C ATOM 0 H MET A 90 2.515 -6.726 3.954 1.00 50.40 H new ATOM 0 HA MET A 90 0.628 -5.022 2.593 1.00 34.04 H new ATOM 0 HB2 MET A 90 0.385 -6.317 4.815 1.00 61.23 H new ATOM 0 HB3 MET A 90 1.381 -5.066 5.532 1.00 61.23 H new ATOM 0 HG2 MET A 90 -1.195 -4.463 4.051 1.00 11.31 H new ATOM 0 HG3 MET A 90 -1.146 -4.808 5.768 1.00 11.31 H new ATOM 0 HE1 MET A 90 0.092 -2.292 7.615 1.00 1.52 H new ATOM 0 HE2 MET A 90 0.785 -3.850 7.108 1.00 1.52 H new ATOM 0 HE3 MET A 90 1.650 -2.335 6.757 1.00 1.52 H new ATOM 1330 N ILE A 91 3.245 -3.691 4.109 1.00 34.12 N ATOM 1331 CA ILE A 91 4.011 -2.462 4.240 1.00 21.20 C ATOM 1332 C ILE A 91 4.662 -2.046 2.920 1.00 11.41 C ATOM 1333 O ILE A 91 4.741 -0.856 2.611 1.00 65.11 O ATOM 1334 CB ILE A 91 5.080 -2.572 5.345 1.00 52.23 C ATOM 1335 CG1 ILE A 91 5.928 -3.834 5.167 1.00 2.41 C ATOM 1336 CG2 ILE A 91 4.417 -2.562 6.713 1.00 51.45 C ATOM 1337 CD1 ILE A 91 7.083 -3.939 6.140 1.00 52.32 C ATOM 0 H ILE A 91 3.624 -4.484 4.626 1.00 34.12 H new ATOM 0 HA ILE A 91 3.299 -1.687 4.524 1.00 21.20 H new ATOM 0 HB ILE A 91 5.744 -1.711 5.268 1.00 52.23 H new ATOM 0 HG12 ILE A 91 5.288 -4.709 5.282 1.00 2.41 H new ATOM 0 HG13 ILE A 91 6.319 -3.857 4.150 1.00 2.41 H new ATOM 0 HG21 ILE A 91 5.180 -2.640 7.488 1.00 51.45 H new ATOM 0 HG22 ILE A 91 3.863 -1.632 6.842 1.00 51.45 H new ATOM 0 HG23 ILE A 91 3.732 -3.406 6.792 1.00 51.45 H new ATOM 0 HD11 ILE A 91 7.636 -4.859 5.951 1.00 52.32 H new ATOM 0 HD12 ILE A 91 7.746 -3.084 6.011 1.00 52.32 H new ATOM 0 HD13 ILE A 91 6.699 -3.950 7.160 1.00 52.32 H new ATOM 1349 N ILE A 92 5.113 -3.020 2.131 1.00 5.44 N ATOM 1350 CA ILE A 92 5.698 -2.721 0.830 1.00 41.32 C ATOM 1351 C ILE A 92 4.621 -2.229 -0.133 1.00 2.10 C ATOM 1352 O ILE A 92 4.880 -1.408 -1.017 1.00 23.30 O ATOM 1353 CB ILE A 92 6.432 -3.944 0.227 1.00 11.45 C ATOM 1354 CG1 ILE A 92 5.486 -5.135 0.065 1.00 30.11 C ATOM 1355 CG2 ILE A 92 7.627 -4.321 1.092 1.00 42.32 C ATOM 1356 CD1 ILE A 92 6.119 -6.325 -0.623 1.00 54.13 C ATOM 0 H ILE A 92 5.084 -4.012 2.368 1.00 5.44 H new ATOM 0 HA ILE A 92 6.438 -1.935 0.979 1.00 41.32 H new ATOM 0 HB ILE A 92 6.790 -3.669 -0.765 1.00 11.45 H new ATOM 0 HG12 ILE A 92 5.131 -5.442 1.049 1.00 30.11 H new ATOM 0 HG13 ILE A 92 4.612 -4.819 -0.505 1.00 30.11 H new ATOM 0 HG21 ILE A 92 8.134 -5.182 0.657 1.00 42.32 H new ATOM 0 HG22 ILE A 92 8.319 -3.480 1.143 1.00 42.32 H new ATOM 0 HG23 ILE A 92 7.285 -4.571 2.096 1.00 42.32 H new ATOM 0 HD11 ILE A 92 5.389 -7.130 -0.702 1.00 54.13 H new ATOM 0 HD12 ILE A 92 6.449 -6.035 -1.620 1.00 54.13 H new ATOM 0 HD13 ILE A 92 6.975 -6.668 -0.042 1.00 54.13 H new ATOM 1368 N PHE A 93 3.407 -2.722 0.068 1.00 70.34 N ATOM 1369 CA PHE A 93 2.261 -2.305 -0.723 1.00 11.12 C ATOM 1370 C PHE A 93 1.935 -0.840 -0.446 1.00 61.12 C ATOM 1371 O PHE A 93 1.772 -0.048 -1.374 1.00 0.20 O ATOM 1372 CB PHE A 93 1.061 -3.198 -0.398 1.00 52.04 C ATOM 1373 CG PHE A 93 -0.198 -2.841 -1.129 1.00 12.34 C ATOM 1374 CD1 PHE A 93 -0.340 -3.129 -2.474 1.00 33.51 C ATOM 1375 CD2 PHE A 93 -1.246 -2.226 -0.463 1.00 22.11 C ATOM 1376 CE1 PHE A 93 -1.504 -2.808 -3.144 1.00 71.05 C ATOM 1377 CE2 PHE A 93 -2.411 -1.904 -1.127 1.00 72.44 C ATOM 1378 CZ PHE A 93 -2.540 -2.195 -2.468 1.00 72.00 C ATOM 0 H PHE A 93 3.191 -3.419 0.781 1.00 70.34 H new ATOM 0 HA PHE A 93 2.497 -2.406 -1.782 1.00 11.12 H new ATOM 0 HB2 PHE A 93 1.320 -4.231 -0.630 1.00 52.04 H new ATOM 0 HB3 PHE A 93 0.869 -3.151 0.674 1.00 52.04 H new ATOM 0 HD1 PHE A 93 0.468 -3.610 -3.006 1.00 33.51 H new ATOM 0 HD2 PHE A 93 -1.149 -1.996 0.588 1.00 22.11 H new ATOM 0 HE1 PHE A 93 -1.604 -3.036 -4.195 1.00 71.05 H new ATOM 0 HE2 PHE A 93 -3.221 -1.425 -0.597 1.00 72.44 H new ATOM 0 HZ PHE A 93 -3.451 -1.944 -2.990 1.00 72.00 H new ATOM 1388 N GLU A 94 1.880 -0.489 0.836 1.00 40.04 N ATOM 1389 CA GLU A 94 1.603 0.881 1.264 1.00 42.31 C ATOM 1390 C GLU A 94 2.593 1.864 0.643 1.00 61.03 C ATOM 1391 O GLU A 94 2.201 2.881 0.074 1.00 44.52 O ATOM 1392 CB GLU A 94 1.693 0.980 2.790 1.00 41.15 C ATOM 1393 CG GLU A 94 0.636 0.183 3.536 1.00 61.51 C ATOM 1394 CD GLU A 94 -0.708 0.884 3.596 1.00 61.01 C ATOM 1395 OE1 GLU A 94 -0.816 1.900 4.321 1.00 44.10 O ATOM 1396 OE2 GLU A 94 -1.668 0.413 2.950 1.00 52.51 O ATOM 0 H GLU A 94 2.025 -1.143 1.605 1.00 40.04 H new ATOM 0 HA GLU A 94 0.597 1.138 0.931 1.00 42.31 H new ATOM 0 HB2 GLU A 94 2.678 0.638 3.106 1.00 41.15 H new ATOM 0 HB3 GLU A 94 1.611 2.028 3.079 1.00 41.15 H new ATOM 0 HG2 GLU A 94 0.512 -0.786 3.052 1.00 61.51 H new ATOM 0 HG3 GLU A 94 0.984 -0.009 4.551 1.00 61.51 H new ATOM 1403 N LEU A 95 3.876 1.541 0.747 1.00 71.23 N ATOM 1404 CA LEU A 95 4.938 2.401 0.241 1.00 75.13 C ATOM 1405 C LEU A 95 4.789 2.625 -1.257 1.00 32.52 C ATOM 1406 O LEU A 95 4.902 3.752 -1.744 1.00 44.20 O ATOM 1407 CB LEU A 95 6.307 1.779 0.535 1.00 71.42 C ATOM 1408 CG LEU A 95 6.654 1.628 2.019 1.00 21.51 C ATOM 1409 CD1 LEU A 95 7.976 0.896 2.183 1.00 62.35 C ATOM 1410 CD2 LEU A 95 6.716 2.989 2.697 1.00 74.24 C ATOM 0 H LEU A 95 4.208 0.680 1.182 1.00 71.23 H new ATOM 0 HA LEU A 95 4.862 3.364 0.746 1.00 75.13 H new ATOM 0 HB2 LEU A 95 6.348 0.795 0.068 1.00 71.42 H new ATOM 0 HB3 LEU A 95 7.075 2.390 0.060 1.00 71.42 H new ATOM 0 HG LEU A 95 5.869 1.041 2.496 1.00 21.51 H new ATOM 0 HD11 LEU A 95 8.208 0.797 3.243 1.00 62.35 H new ATOM 0 HD12 LEU A 95 7.902 -0.094 1.734 1.00 62.35 H new ATOM 0 HD13 LEU A 95 8.768 1.460 1.690 1.00 62.35 H new ATOM 0 HD21 LEU A 95 6.964 2.860 3.751 1.00 74.24 H new ATOM 0 HD22 LEU A 95 7.480 3.600 2.217 1.00 74.24 H new ATOM 0 HD23 LEU A 95 5.748 3.483 2.610 1.00 74.24 H new ATOM 1422 N SER A 96 4.517 1.549 -1.979 1.00 73.23 N ATOM 1423 CA SER A 96 4.414 1.608 -3.427 1.00 10.33 C ATOM 1424 C SER A 96 3.135 2.331 -3.866 1.00 42.22 C ATOM 1425 O SER A 96 3.074 2.863 -4.974 1.00 2.03 O ATOM 1426 CB SER A 96 4.457 0.194 -4.013 1.00 61.32 C ATOM 1427 OG SER A 96 4.722 0.224 -5.408 1.00 64.31 O ATOM 0 H SER A 96 4.363 0.622 -1.583 1.00 73.23 H new ATOM 0 HA SER A 96 5.263 2.177 -3.806 1.00 10.33 H new ATOM 0 HB2 SER A 96 5.226 -0.389 -3.507 1.00 61.32 H new ATOM 0 HB3 SER A 96 3.506 -0.307 -3.831 1.00 61.32 H new ATOM 0 HG SER A 96 4.746 -0.692 -5.756 1.00 64.31 H new ATOM 1433 N LEU A 97 2.126 2.363 -2.990 1.00 35.12 N ATOM 1434 CA LEU A 97 0.863 3.043 -3.286 1.00 73.04 C ATOM 1435 C LEU A 97 1.101 4.481 -3.715 1.00 50.41 C ATOM 1436 O LEU A 97 0.698 4.891 -4.805 1.00 24.12 O ATOM 1437 CB LEU A 97 -0.066 3.032 -2.067 1.00 43.51 C ATOM 1438 CG LEU A 97 -0.694 1.683 -1.724 1.00 21.14 C ATOM 1439 CD1 LEU A 97 -1.539 1.792 -0.464 1.00 41.34 C ATOM 1440 CD2 LEU A 97 -1.534 1.185 -2.888 1.00 14.52 C ATOM 0 H LEU A 97 2.160 1.925 -2.069 1.00 35.12 H new ATOM 0 HA LEU A 97 0.391 2.499 -4.104 1.00 73.04 H new ATOM 0 HB2 LEU A 97 0.497 3.380 -1.201 1.00 43.51 H new ATOM 0 HB3 LEU A 97 -0.867 3.752 -2.237 1.00 43.51 H new ATOM 0 HG LEU A 97 0.104 0.965 -1.538 1.00 21.14 H new ATOM 0 HD11 LEU A 97 -1.978 0.821 -0.235 1.00 41.34 H new ATOM 0 HD12 LEU A 97 -0.912 2.111 0.368 1.00 41.34 H new ATOM 0 HD13 LEU A 97 -2.333 2.522 -0.621 1.00 41.34 H new ATOM 0 HD21 LEU A 97 -1.977 0.222 -2.632 1.00 14.52 H new ATOM 0 HD22 LEU A 97 -2.326 1.904 -3.099 1.00 14.52 H new ATOM 0 HD23 LEU A 97 -0.903 1.071 -3.769 1.00 14.52 H new ATOM 1452 N ARG A 98 1.766 5.243 -2.862 1.00 5.10 N ATOM 1453 CA ARG A 98 2.019 6.645 -3.165 1.00 1.22 C ATOM 1454 C ARG A 98 3.165 6.795 -4.160 1.00 60.35 C ATOM 1455 O ARG A 98 3.186 7.734 -4.954 1.00 12.04 O ATOM 1456 CB ARG A 98 2.287 7.480 -1.901 1.00 65.22 C ATOM 1457 CG ARG A 98 3.280 6.880 -0.914 1.00 5.11 C ATOM 1458 CD ARG A 98 2.584 6.000 0.116 1.00 24.20 C ATOM 1459 NE ARG A 98 3.427 5.739 1.281 1.00 22.33 N ATOM 1460 CZ ARG A 98 2.998 5.149 2.397 1.00 75.40 C ATOM 1461 NH1 ARG A 98 1.748 4.708 2.492 1.00 12.30 N ATOM 1462 NH2 ARG A 98 3.827 4.999 3.419 1.00 62.31 N ATOM 0 H ARG A 98 2.136 4.922 -1.967 1.00 5.10 H new ATOM 0 HA ARG A 98 1.109 7.034 -3.622 1.00 1.22 H new ATOM 0 HB2 ARG A 98 2.653 8.461 -2.206 1.00 65.22 H new ATOM 0 HB3 ARG A 98 1.340 7.639 -1.385 1.00 65.22 H new ATOM 0 HG2 ARG A 98 4.021 6.292 -1.455 1.00 5.11 H new ATOM 0 HG3 ARG A 98 3.818 7.680 -0.406 1.00 5.11 H new ATOM 0 HD2 ARG A 98 1.661 6.482 0.438 1.00 24.20 H new ATOM 0 HD3 ARG A 98 2.304 5.054 -0.347 1.00 24.20 H new ATOM 0 HE ARG A 98 4.405 6.026 1.238 1.00 22.33 H new ATOM 0 HH11 ARG A 98 1.107 4.819 1.707 1.00 12.30 H new ATOM 0 HH12 ARG A 98 1.430 4.258 3.350 1.00 12.30 H new ATOM 0 HH21 ARG A 98 4.788 5.334 3.350 1.00 62.31 H new ATOM 0 HH22 ARG A 98 3.505 4.548 4.275 1.00 62.31 H new ATOM 1476 N SER A 99 4.097 5.855 -4.134 1.00 24.11 N ATOM 1477 CA SER A 99 5.286 5.936 -4.972 1.00 52.24 C ATOM 1478 C SER A 99 4.991 5.552 -6.422 1.00 44.14 C ATOM 1479 O SER A 99 5.842 5.706 -7.294 1.00 63.32 O ATOM 1480 CB SER A 99 6.376 5.040 -4.396 1.00 62.12 C ATOM 1481 OG SER A 99 6.622 5.373 -3.041 1.00 64.41 O ATOM 0 H SER A 99 4.054 5.026 -3.541 1.00 24.11 H new ATOM 0 HA SER A 99 5.626 6.972 -4.977 1.00 52.24 H new ATOM 0 HB2 SER A 99 6.075 3.995 -4.472 1.00 62.12 H new ATOM 0 HB3 SER A 99 7.292 5.151 -4.977 1.00 62.12 H new ATOM 0 HG SER A 99 6.041 4.837 -2.462 1.00 64.41 H new ATOM 1487 N LEU A 100 3.790 5.054 -6.679 1.00 72.25 N ATOM 1488 CA LEU A 100 3.395 4.719 -8.039 1.00 1.54 C ATOM 1489 C LEU A 100 2.891 5.962 -8.757 1.00 0.24 C ATOM 1490 O LEU A 100 2.999 6.082 -9.976 1.00 40.04 O ATOM 1491 CB LEU A 100 2.310 3.645 -8.032 1.00 64.15 C ATOM 1492 CG LEU A 100 2.019 3.009 -9.396 1.00 45.42 C ATOM 1493 CD1 LEU A 100 3.251 2.299 -9.937 1.00 64.45 C ATOM 1494 CD2 LEU A 100 0.852 2.043 -9.295 1.00 64.44 C ATOM 0 H LEU A 100 3.078 4.874 -5.971 1.00 72.25 H new ATOM 0 HA LEU A 100 4.266 4.331 -8.567 1.00 1.54 H new ATOM 0 HB2 LEU A 100 2.603 2.859 -7.336 1.00 64.15 H new ATOM 0 HB3 LEU A 100 1.389 4.083 -7.648 1.00 64.15 H new ATOM 0 HG LEU A 100 1.752 3.805 -10.091 1.00 45.42 H new ATOM 0 HD11 LEU A 100 3.020 1.856 -10.906 1.00 64.45 H new ATOM 0 HD12 LEU A 100 4.064 3.016 -10.051 1.00 64.45 H new ATOM 0 HD13 LEU A 100 3.554 1.515 -9.242 1.00 64.45 H new ATOM 0 HD21 LEU A 100 0.660 1.601 -10.273 1.00 64.44 H new ATOM 0 HD22 LEU A 100 1.093 1.255 -8.582 1.00 64.44 H new ATOM 0 HD23 LEU A 100 -0.036 2.579 -8.958 1.00 64.44 H new