USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 468 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 108 ASN : amide:sc= -0.192 X(o=-0.16,f=0.0052) USER MOD Set 1.2: A 112 GLN : amide:sc= 0.0303 K(o=-0.16,f=-0.76) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot -54:sc= 1.04 USER MOD Single : A 56 GLN : amide:sc= 0.78 K(o=0.78,f=-0.0079) USER MOD Single : A 57 HIS : no HE2:sc= 1.04 K(o=1,f=-3.2!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 95:sc= 0.187 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 130:sc= 1.28 (180deg=0.326) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= 0.151 K(o=0.15,f=-0.4) USER MOD Single : A 101 ASN : amide:sc= -0.0761 X(o=-0.076,f=0) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 393 N VAL A 50 2.200 10.225 -1.866 1.00 25.33 N ATOM 394 CA VAL A 50 3.450 9.655 -1.423 1.00 13.25 C ATOM 395 C VAL A 50 3.461 8.178 -1.801 1.00 44.34 C ATOM 396 O VAL A 50 4.418 7.732 -2.436 1.00 51.24 O ATOM 397 CB VAL A 50 3.607 9.932 0.080 1.00 21.32 C ATOM 398 CG1 VAL A 50 4.825 9.211 0.643 1.00 2.25 C ATOM 399 CG2 VAL A 50 3.700 11.446 0.313 1.00 33.41 C ATOM 0 HA VAL A 50 4.316 10.106 -1.908 1.00 13.25 H new ATOM 0 HB VAL A 50 2.733 9.548 0.607 1.00 21.32 H new ATOM 0 HG11 VAL A 50 4.913 9.424 1.708 1.00 2.25 H new ATOM 0 HG12 VAL A 50 4.712 8.137 0.495 1.00 2.25 H new ATOM 0 HG13 VAL A 50 5.722 9.556 0.129 1.00 2.25 H new ATOM 0 HG21 VAL A 50 3.811 11.644 1.379 1.00 33.41 H new ATOM 0 HG22 VAL A 50 4.562 11.844 -0.222 1.00 33.41 H new ATOM 0 HG23 VAL A 50 2.793 11.927 -0.052 1.00 33.41 H new ATOM 409 N ASN A 51 2.407 7.431 -1.446 1.00 4.41 N ATOM 410 CA ASN A 51 2.307 6.011 -1.770 1.00 52.22 C ATOM 411 C ASN A 51 2.348 5.770 -3.279 1.00 22.24 C ATOM 412 O ASN A 51 2.849 4.725 -3.674 1.00 72.22 O ATOM 413 CB ASN A 51 1.062 5.365 -1.121 1.00 33.43 C ATOM 414 CG ASN A 51 0.009 4.863 -2.101 1.00 52.31 C ATOM 415 OD1 ASN A 51 -0.161 3.667 -2.278 1.00 31.25 O ATOM 416 ND2 ASN A 51 -0.741 5.748 -2.723 1.00 31.24 N ATOM 0 H ASN A 51 1.607 7.796 -0.929 1.00 4.41 H new ATOM 0 HA ASN A 51 3.183 5.521 -1.344 1.00 52.22 H new ATOM 0 HB2 ASN A 51 1.387 4.529 -0.501 1.00 33.43 H new ATOM 0 HB3 ASN A 51 0.599 6.094 -0.456 1.00 33.43 H new ATOM 0 HD21 ASN A 51 -1.474 5.437 -3.361 1.00 31.24 H new ATOM 0 HD22 ASN A 51 -0.589 6.745 -2.567 1.00 31.24 H new ATOM 423 N GLU A 52 1.923 6.740 -4.102 1.00 44.44 N ATOM 424 CA GLU A 52 2.051 6.670 -5.560 1.00 44.41 C ATOM 425 C GLU A 52 3.506 6.353 -5.898 1.00 70.14 C ATOM 426 O GLU A 52 3.810 5.334 -6.514 1.00 1.14 O ATOM 427 CB GLU A 52 1.688 8.001 -6.247 1.00 11.32 C ATOM 428 CG GLU A 52 0.209 8.373 -6.367 1.00 12.43 C ATOM 429 CD GLU A 52 0.089 9.654 -7.205 1.00 11.24 C ATOM 430 OE1 GLU A 52 0.062 9.571 -8.449 1.00 33.22 O1- ATOM 431 OE2 GLU A 52 0.109 10.778 -6.641 1.00 3.22 O ATOM 0 H GLU A 52 1.480 7.597 -3.771 1.00 44.44 H new ATOM 0 HA GLU A 52 1.364 5.903 -5.917 1.00 44.41 H new ATOM 0 HB2 GLU A 52 2.190 8.803 -5.706 1.00 11.32 H new ATOM 0 HB3 GLU A 52 2.109 7.983 -7.252 1.00 11.32 H new ATOM 0 HG2 GLU A 52 -0.348 7.562 -6.836 1.00 12.43 H new ATOM 0 HG3 GLU A 52 -0.223 8.527 -5.378 1.00 12.43 H new ATOM 438 N TYR A 53 4.407 7.234 -5.455 1.00 61.50 N ATOM 439 CA TYR A 53 5.820 7.135 -5.755 1.00 14.24 C ATOM 440 C TYR A 53 6.431 5.907 -5.081 1.00 3.22 C ATOM 441 O TYR A 53 7.205 5.188 -5.708 1.00 31.45 O ATOM 442 CB TYR A 53 6.531 8.431 -5.337 1.00 33.14 C ATOM 443 CG TYR A 53 7.826 8.640 -6.095 1.00 51.14 C ATOM 444 CD1 TYR A 53 8.995 7.964 -5.700 1.00 31.34 C ATOM 445 CD2 TYR A 53 7.831 9.428 -7.262 1.00 5.33 C ATOM 446 CE1 TYR A 53 10.157 8.046 -6.488 1.00 30.42 C ATOM 447 CE2 TYR A 53 8.993 9.520 -8.047 1.00 3.32 C ATOM 448 CZ TYR A 53 10.156 8.815 -7.674 1.00 1.24 C ATOM 449 OH TYR A 53 11.261 8.878 -8.464 1.00 24.53 O ATOM 0 H TYR A 53 4.165 8.038 -4.875 1.00 61.50 H new ATOM 0 HA TYR A 53 5.952 7.008 -6.830 1.00 14.24 H new ATOM 0 HB2 TYR A 53 5.869 9.279 -5.510 1.00 33.14 H new ATOM 0 HB3 TYR A 53 6.738 8.402 -4.267 1.00 33.14 H new ATOM 0 HD1 TYR A 53 9.000 7.381 -4.791 1.00 31.34 H new ATOM 0 HD2 TYR A 53 6.940 9.963 -7.555 1.00 5.33 H new ATOM 0 HE1 TYR A 53 11.051 7.521 -6.187 1.00 30.42 H new ATOM 0 HE2 TYR A 53 8.995 10.131 -8.937 1.00 3.32 H new ATOM 0 HH TYR A 53 12.032 9.154 -7.926 1.00 24.53 H new ATOM 459 N LEU A 54 6.102 5.657 -3.807 1.00 21.53 N ATOM 460 CA LEU A 54 6.697 4.546 -3.058 1.00 13.31 C ATOM 461 C LEU A 54 6.344 3.202 -3.676 1.00 63.34 C ATOM 462 O LEU A 54 7.174 2.300 -3.621 1.00 4.25 O ATOM 463 CB LEU A 54 6.273 4.540 -1.579 1.00 3.44 C ATOM 464 CG LEU A 54 6.685 5.782 -0.775 1.00 32.55 C ATOM 465 CD1 LEU A 54 6.578 5.497 0.719 1.00 51.30 C ATOM 466 CD2 LEU A 54 8.127 6.175 -1.086 1.00 1.34 C ATOM 0 H LEU A 54 5.428 6.209 -3.276 1.00 21.53 H new ATOM 0 HA LEU A 54 7.775 4.699 -3.110 1.00 13.31 H new ATOM 0 HB2 LEU A 54 5.189 4.438 -1.529 1.00 3.44 H new ATOM 0 HB3 LEU A 54 6.699 3.659 -1.099 1.00 3.44 H new ATOM 0 HG LEU A 54 6.016 6.596 -1.054 1.00 32.55 H new ATOM 0 HD11 LEU A 54 6.872 6.384 1.281 1.00 51.30 H new ATOM 0 HD12 LEU A 54 5.549 5.235 0.967 1.00 51.30 H new ATOM 0 HD13 LEU A 54 7.236 4.668 0.979 1.00 51.30 H new ATOM 0 HD21 LEU A 54 8.397 7.057 -0.505 1.00 1.34 H new ATOM 0 HD22 LEU A 54 8.793 5.352 -0.826 1.00 1.34 H new ATOM 0 HD23 LEU A 54 8.222 6.397 -2.149 1.00 1.34 H new ATOM 478 N ALA A 55 5.138 3.061 -4.231 1.00 54.13 N ATOM 479 CA ALA A 55 4.715 1.863 -4.929 1.00 43.43 C ATOM 480 C ALA A 55 5.371 1.808 -6.304 1.00 5.23 C ATOM 481 O ALA A 55 6.062 0.840 -6.615 1.00 73.21 O ATOM 482 CB ALA A 55 3.188 1.852 -5.058 1.00 53.12 C ATOM 0 H ALA A 55 4.425 3.790 -4.203 1.00 54.13 H new ATOM 0 HA ALA A 55 5.023 0.984 -4.363 1.00 43.43 H new ATOM 0 HB1 ALA A 55 2.874 0.950 -5.583 1.00 53.12 H new ATOM 0 HB2 ALA A 55 2.739 1.869 -4.065 1.00 53.12 H new ATOM 0 HB3 ALA A 55 2.864 2.729 -5.618 1.00 53.12 H new ATOM 488 N GLN A 56 5.144 2.828 -7.140 1.00 4.33 N ATOM 489 CA GLN A 56 5.530 2.808 -8.537 1.00 44.40 C ATOM 490 C GLN A 56 7.044 2.659 -8.686 1.00 22.13 C ATOM 491 O GLN A 56 7.490 1.989 -9.618 1.00 1.21 O ATOM 492 CB GLN A 56 4.997 4.087 -9.208 1.00 50.13 C ATOM 493 CG GLN A 56 5.418 4.249 -10.671 1.00 33.44 C ATOM 494 CD GLN A 56 4.873 3.158 -11.594 1.00 5.44 C ATOM 495 OE1 GLN A 56 3.900 3.353 -12.310 1.00 50.42 O ATOM 496 NE2 GLN A 56 5.477 1.981 -11.604 1.00 5.01 N ATOM 0 H GLN A 56 4.683 3.692 -6.854 1.00 4.33 H new ATOM 0 HA GLN A 56 5.092 1.943 -9.035 1.00 44.40 H new ATOM 0 HB2 GLN A 56 3.908 4.087 -9.153 1.00 50.13 H new ATOM 0 HB3 GLN A 56 5.345 4.952 -8.643 1.00 50.13 H new ATOM 0 HG2 GLN A 56 5.079 5.220 -11.032 1.00 33.44 H new ATOM 0 HG3 GLN A 56 6.506 4.250 -10.728 1.00 33.44 H new ATOM 0 HE21 GLN A 56 6.288 1.819 -11.007 1.00 5.01 H new ATOM 0 HE22 GLN A 56 5.132 1.236 -12.209 1.00 5.01 H new ATOM 505 N HIS A 57 7.823 3.266 -7.793 1.00 1.04 N ATOM 506 CA HIS A 57 9.274 3.234 -7.836 1.00 1.21 C ATOM 507 C HIS A 57 9.825 2.270 -6.782 1.00 2.13 C ATOM 508 O HIS A 57 11.014 2.353 -6.487 1.00 12.41 O ATOM 509 CB HIS A 57 9.842 4.659 -7.692 1.00 41.32 C ATOM 510 CG HIS A 57 9.475 5.562 -8.843 1.00 73.50 C ATOM 511 ND1 HIS A 57 10.292 5.876 -9.906 1.00 54.20 N ATOM 512 CD2 HIS A 57 8.273 6.184 -9.044 1.00 31.25 C ATOM 513 CE1 HIS A 57 9.591 6.665 -10.738 1.00 65.11 C ATOM 514 NE2 HIS A 57 8.352 6.871 -10.259 1.00 61.40 N ATOM 0 H HIS A 57 7.452 3.802 -7.008 1.00 1.04 H new ATOM 0 HA HIS A 57 9.597 2.855 -8.805 1.00 1.21 H new ATOM 0 HB2 HIS A 57 9.476 5.097 -6.763 1.00 41.32 H new ATOM 0 HB3 HIS A 57 10.928 4.605 -7.613 1.00 41.32 H new ATOM 0 HD1 HIS A 57 11.255 5.566 -10.038 1.00 54.20 H new ATOM 0 HD2 HIS A 57 7.419 6.150 -8.384 1.00 31.25 H new ATOM 0 HE1 HIS A 57 9.970 7.076 -11.662 1.00 65.11 H new ATOM 522 N ASP A 58 9.023 1.361 -6.201 1.00 1.25 N ATOM 523 CA ASP A 58 9.510 0.431 -5.172 1.00 22.34 C ATOM 524 C ASP A 58 10.749 -0.314 -5.665 1.00 41.00 C ATOM 525 O ASP A 58 11.734 -0.416 -4.940 1.00 53.20 O ATOM 526 CB ASP A 58 8.453 -0.607 -4.766 1.00 21.41 C ATOM 527 CG ASP A 58 9.047 -1.590 -3.748 1.00 10.12 C ATOM 528 OD1 ASP A 58 9.208 -1.227 -2.564 1.00 2.25 O ATOM 529 OD2 ASP A 58 9.370 -2.748 -4.130 1.00 50.13 O1- ATOM 0 H ASP A 58 8.035 1.252 -6.428 1.00 1.25 H new ATOM 0 HA ASP A 58 9.749 1.041 -4.301 1.00 22.34 H new ATOM 0 HB2 ASP A 58 7.585 -0.106 -4.337 1.00 21.41 H new ATOM 0 HB3 ASP A 58 8.106 -1.148 -5.646 1.00 21.41 H new ATOM 534 N GLY A 59 10.719 -0.788 -6.914 1.00 43.43 N ATOM 535 CA GLY A 59 11.817 -1.520 -7.524 1.00 61.12 C ATOM 536 C GLY A 59 13.077 -0.664 -7.642 1.00 54.02 C ATOM 537 O GLY A 59 14.169 -1.163 -7.360 1.00 51.41 O ATOM 0 H GLY A 59 9.917 -0.669 -7.533 1.00 43.43 H new ATOM 0 HA2 GLY A 59 12.036 -2.408 -6.930 1.00 61.12 H new ATOM 0 HA3 GLY A 59 11.518 -1.864 -8.514 1.00 61.12 H new ATOM 541 N GLU A 60 12.944 0.594 -8.065 1.00 53.40 N ATOM 542 CA GLU A 60 14.058 1.525 -8.204 1.00 31.22 C ATOM 543 C GLU A 60 14.609 1.856 -6.815 1.00 60.14 C ATOM 544 O GLU A 60 15.796 1.667 -6.571 1.00 42.23 O ATOM 545 CB GLU A 60 13.592 2.777 -8.968 1.00 34.14 C ATOM 546 CG GLU A 60 14.736 3.784 -9.194 1.00 51.10 C ATOM 547 CD GLU A 60 14.288 5.049 -9.933 1.00 35.31 C ATOM 548 OE1 GLU A 60 13.070 5.322 -10.017 1.00 42.01 O1- ATOM 549 OE2 GLU A 60 15.136 5.847 -10.411 1.00 1.22 O ATOM 0 H GLU A 60 12.044 0.998 -8.324 1.00 53.40 H new ATOM 0 HA GLU A 60 14.866 1.077 -8.783 1.00 31.22 H new ATOM 0 HB2 GLU A 60 13.178 2.479 -9.931 1.00 34.14 H new ATOM 0 HB3 GLU A 60 12.789 3.261 -8.412 1.00 34.14 H new ATOM 0 HG2 GLU A 60 15.160 4.065 -8.230 1.00 51.10 H new ATOM 0 HG3 GLU A 60 15.530 3.300 -9.763 1.00 51.10 H new ATOM 556 N ILE A 61 13.758 2.298 -5.882 1.00 12.13 N ATOM 557 CA ILE A 61 14.137 2.652 -4.514 1.00 34.15 C ATOM 558 C ILE A 61 14.857 1.458 -3.873 1.00 33.51 C ATOM 559 O ILE A 61 15.918 1.623 -3.270 1.00 20.41 O ATOM 560 CB ILE A 61 12.888 3.088 -3.702 1.00 14.42 C ATOM 561 CG1 ILE A 61 12.219 4.371 -4.256 1.00 13.02 C ATOM 562 CG2 ILE A 61 13.248 3.325 -2.224 1.00 30.11 C ATOM 563 CD1 ILE A 61 10.814 4.629 -3.683 1.00 71.20 C ATOM 0 H ILE A 61 12.762 2.422 -6.065 1.00 12.13 H new ATOM 0 HA ILE A 61 14.820 3.501 -4.521 1.00 34.15 H new ATOM 0 HB ILE A 61 12.177 2.267 -3.795 1.00 14.42 H new ATOM 0 HG12 ILE A 61 12.856 5.228 -4.034 1.00 13.02 H new ATOM 0 HG13 ILE A 61 12.152 4.296 -5.341 1.00 13.02 H new ATOM 0 HG21 ILE A 61 12.356 3.630 -1.677 1.00 30.11 H new ATOM 0 HG22 ILE A 61 13.641 2.404 -1.793 1.00 30.11 H new ATOM 0 HG23 ILE A 61 14.002 4.109 -2.154 1.00 30.11 H new ATOM 0 HD11 ILE A 61 10.407 5.543 -4.115 1.00 71.20 H new ATOM 0 HD12 ILE A 61 10.162 3.790 -3.927 1.00 71.20 H new ATOM 0 HD13 ILE A 61 10.877 4.736 -2.600 1.00 71.20 H new ATOM 575 N ARG A 62 14.287 0.253 -3.988 1.00 20.42 N ATOM 576 CA ARG A 62 14.875 -0.985 -3.488 1.00 11.21 C ATOM 577 C ARG A 62 16.266 -1.150 -4.075 1.00 3.14 C ATOM 578 O ARG A 62 17.202 -1.392 -3.316 1.00 13.41 O ATOM 579 CB ARG A 62 13.968 -2.171 -3.855 1.00 0.03 C ATOM 580 CG ARG A 62 14.511 -3.546 -3.439 1.00 31.42 C ATOM 581 CD ARG A 62 13.687 -4.646 -4.118 1.00 64.53 C ATOM 582 NE ARG A 62 14.052 -5.986 -3.627 1.00 23.11 N ATOM 583 CZ ARG A 62 14.959 -6.839 -4.113 1.00 72.34 C ATOM 584 NH1 ARG A 62 15.699 -6.528 -5.176 1.00 4.42 N1+ ATOM 585 NH2 ARG A 62 15.122 -8.014 -3.518 1.00 20.11 N ATOM 0 H ARG A 62 13.384 0.113 -4.442 1.00 20.42 H new ATOM 0 HA ARG A 62 14.961 -0.950 -2.402 1.00 11.21 H new ATOM 0 HB2 ARG A 62 12.994 -2.024 -3.389 1.00 0.03 H new ATOM 0 HB3 ARG A 62 13.809 -2.169 -4.933 1.00 0.03 H new ATOM 0 HG2 ARG A 62 15.560 -3.636 -3.721 1.00 31.42 H new ATOM 0 HG3 ARG A 62 14.462 -3.656 -2.356 1.00 31.42 H new ATOM 0 HD2 ARG A 62 12.627 -4.469 -3.938 1.00 64.53 H new ATOM 0 HD3 ARG A 62 13.839 -4.600 -5.196 1.00 64.53 H new ATOM 0 HE ARG A 62 13.543 -6.307 -2.803 1.00 23.11 H new ATOM 0 HH11 ARG A 62 15.579 -5.625 -5.635 1.00 4.42 H new ATOM 0 HH12 ARG A 62 16.386 -7.193 -5.531 1.00 4.42 H new ATOM 0 HH21 ARG A 62 14.559 -8.255 -2.702 1.00 20.11 H new ATOM 0 HH22 ARG A 62 15.810 -8.676 -3.877 1.00 20.11 H new ATOM 599 N ALA A 63 16.390 -1.096 -5.399 1.00 71.44 N ATOM 600 CA ALA A 63 17.631 -1.364 -6.101 1.00 61.50 C ATOM 601 C ALA A 63 18.715 -0.346 -5.727 1.00 20.25 C ATOM 602 O ALA A 63 19.867 -0.746 -5.501 1.00 34.31 O ATOM 603 CB ALA A 63 17.336 -1.358 -7.601 1.00 12.03 C ATOM 0 H ALA A 63 15.615 -0.860 -6.019 1.00 71.44 H new ATOM 0 HA ALA A 63 18.022 -2.339 -5.811 1.00 61.50 H new ATOM 0 HB1 ALA A 63 18.254 -1.557 -8.153 1.00 12.03 H new ATOM 0 HB2 ALA A 63 16.600 -2.129 -7.830 1.00 12.03 H new ATOM 0 HB3 ALA A 63 16.943 -0.383 -7.891 1.00 12.03 H new ATOM 609 N GLU A 64 18.344 0.932 -5.666 1.00 14.42 N ATOM 610 CA GLU A 64 19.195 2.069 -5.352 1.00 74.12 C ATOM 611 C GLU A 64 19.748 1.865 -3.949 1.00 12.22 C ATOM 612 O GLU A 64 20.954 1.750 -3.766 1.00 63.33 O ATOM 613 CB GLU A 64 18.343 3.347 -5.452 1.00 32.54 C ATOM 614 CG GLU A 64 19.091 4.653 -5.135 1.00 51.44 C ATOM 615 CD GLU A 64 19.999 5.131 -6.267 1.00 40.01 C ATOM 616 OE1 GLU A 64 19.616 5.037 -7.454 1.00 11.34 O ATOM 617 OE2 GLU A 64 21.072 5.717 -5.973 1.00 4.22 O1- ATOM 0 H GLU A 64 17.381 1.214 -5.846 1.00 14.42 H new ATOM 0 HA GLU A 64 20.032 2.161 -6.044 1.00 74.12 H new ATOM 0 HB2 GLU A 64 17.935 3.415 -6.460 1.00 32.54 H new ATOM 0 HB3 GLU A 64 17.497 3.256 -4.771 1.00 32.54 H new ATOM 0 HG2 GLU A 64 18.363 5.433 -4.911 1.00 51.44 H new ATOM 0 HG3 GLU A 64 19.691 4.509 -4.236 1.00 51.44 H new ATOM 624 N ALA A 65 18.851 1.734 -2.970 1.00 31.44 N ATOM 625 CA ALA A 65 19.213 1.485 -1.590 1.00 14.14 C ATOM 626 C ALA A 65 20.069 0.225 -1.465 1.00 1.44 C ATOM 627 O ALA A 65 21.021 0.187 -0.698 1.00 60.21 O ATOM 628 CB ALA A 65 17.925 1.350 -0.781 1.00 41.11 C ATOM 0 H ALA A 65 17.845 1.800 -3.124 1.00 31.44 H new ATOM 0 HA ALA A 65 19.810 2.314 -1.208 1.00 14.14 H new ATOM 0 HB1 ALA A 65 18.170 1.162 0.264 1.00 41.11 H new ATOM 0 HB2 ALA A 65 17.349 2.272 -0.858 1.00 41.11 H new ATOM 0 HB3 ALA A 65 17.336 0.520 -1.171 1.00 41.11 H new ATOM 634 N ALA A 66 19.730 -0.835 -2.200 1.00 54.10 N ATOM 635 CA ALA A 66 20.462 -2.087 -2.127 1.00 54.43 C ATOM 636 C ALA A 66 21.833 -2.006 -2.800 1.00 4.24 C ATOM 637 O ALA A 66 22.664 -2.890 -2.576 1.00 35.22 O ATOM 638 CB ALA A 66 19.635 -3.208 -2.746 1.00 15.04 C ATOM 0 H ALA A 66 18.948 -0.845 -2.854 1.00 54.10 H new ATOM 0 HA ALA A 66 20.639 -2.298 -1.072 1.00 54.43 H new ATOM 0 HB1 ALA A 66 20.190 -4.144 -2.688 1.00 15.04 H new ATOM 0 HB2 ALA A 66 18.695 -3.309 -2.203 1.00 15.04 H new ATOM 0 HB3 ALA A 66 19.428 -2.973 -3.790 1.00 15.04 H new ATOM 644 N ALA A 67 22.052 -1.034 -3.692 1.00 40.01 N ATOM 645 CA ALA A 67 23.351 -0.764 -4.295 1.00 24.23 C ATOM 646 C ALA A 67 24.301 0.024 -3.385 1.00 34.13 C ATOM 647 O ALA A 67 25.473 0.162 -3.752 1.00 64.22 O ATOM 648 CB ALA A 67 23.132 -0.020 -5.613 1.00 3.12 C ATOM 0 H ALA A 67 21.317 -0.406 -4.017 1.00 40.01 H new ATOM 0 HA ALA A 67 23.839 -1.723 -4.466 1.00 24.23 H new ATOM 0 HB1 ALA A 67 24.096 0.190 -6.077 1.00 3.12 H new ATOM 0 HB2 ALA A 67 22.533 -0.636 -6.283 1.00 3.12 H new ATOM 0 HB3 ALA A 67 22.611 0.918 -5.419 1.00 3.12 H new ATOM 654 N ASP A 68 23.852 0.509 -2.222 1.00 52.03 N ATOM 655 CA ASP A 68 24.704 1.271 -1.306 1.00 60.53 C ATOM 656 C ASP A 68 25.942 0.461 -0.929 1.00 41.02 C ATOM 657 O ASP A 68 25.824 -0.755 -0.735 1.00 2.15 O ATOM 658 CB ASP A 68 23.963 1.624 -0.003 1.00 20.21 C ATOM 659 CG ASP A 68 23.379 3.030 0.039 1.00 41.24 C ATOM 660 OD1 ASP A 68 23.740 3.874 -0.816 1.00 43.03 O ATOM 661 OD2 ASP A 68 22.585 3.297 0.966 1.00 71.52 O1- ATOM 0 H ASP A 68 22.895 0.385 -1.892 1.00 52.03 H new ATOM 0 HA ASP A 68 24.985 2.186 -1.827 1.00 60.53 H new ATOM 0 HB2 ASP A 68 23.156 0.906 0.146 1.00 20.21 H new ATOM 0 HB3 ASP A 68 24.652 1.507 0.833 1.00 20.21 H new ATOM 666 N PRO A 69 27.105 1.105 -0.711 1.00 21.15 N ATOM 667 CA PRO A 69 28.337 0.410 -0.360 1.00 60.12 C ATOM 668 C PRO A 69 28.149 -0.388 0.928 1.00 62.54 C ATOM 669 O PRO A 69 28.655 -1.505 1.048 1.00 42.41 O ATOM 670 CB PRO A 69 29.404 1.497 -0.216 1.00 63.24 C ATOM 671 CG PRO A 69 28.593 2.741 0.140 1.00 40.34 C ATOM 672 CD PRO A 69 27.310 2.546 -0.665 1.00 72.23 C ATOM 0 HA PRO A 69 28.632 -0.314 -1.119 1.00 60.12 H new ATOM 0 HB2 PRO A 69 30.126 1.251 0.563 1.00 63.24 H new ATOM 0 HB3 PRO A 69 29.966 1.634 -1.140 1.00 63.24 H new ATOM 0 HG2 PRO A 69 28.394 2.803 1.210 1.00 40.34 H new ATOM 0 HG3 PRO A 69 29.112 3.657 -0.141 1.00 40.34 H new ATOM 0 HD2 PRO A 69 26.467 3.049 -0.191 1.00 72.23 H new ATOM 0 HD3 PRO A 69 27.407 2.962 -1.668 1.00 72.23 H new ATOM 680 N ALA A 70 27.387 0.164 1.877 1.00 23.34 N ATOM 681 CA ALA A 70 27.050 -0.494 3.122 1.00 34.22 C ATOM 682 C ALA A 70 26.297 -1.789 2.858 1.00 74.50 C ATOM 683 O ALA A 70 26.651 -2.809 3.443 1.00 2.11 O ATOM 684 CB ALA A 70 26.186 0.425 3.977 1.00 44.11 C ATOM 0 H ALA A 70 26.985 1.097 1.790 1.00 23.34 H new ATOM 0 HA ALA A 70 27.976 -0.724 3.649 1.00 34.22 H new ATOM 0 HB1 ALA A 70 25.936 -0.076 4.912 1.00 44.11 H new ATOM 0 HB2 ALA A 70 26.733 1.343 4.192 1.00 44.11 H new ATOM 0 HB3 ALA A 70 25.269 0.667 3.439 1.00 44.11 H new ATOM 690 N VAL A 71 25.262 -1.747 2.019 1.00 4.42 N ATOM 691 CA VAL A 71 24.375 -2.875 1.794 1.00 3.24 C ATOM 692 C VAL A 71 25.111 -3.963 1.025 1.00 22.31 C ATOM 693 O VAL A 71 25.076 -5.113 1.462 1.00 44.22 O ATOM 694 CB VAL A 71 23.079 -2.422 1.092 1.00 64.44 C ATOM 695 CG1 VAL A 71 22.151 -3.627 0.844 1.00 21.25 C ATOM 696 CG2 VAL A 71 22.336 -1.375 1.944 1.00 35.44 C ATOM 0 H VAL A 71 25.018 -0.920 1.475 1.00 4.42 H new ATOM 0 HA VAL A 71 24.073 -3.298 2.752 1.00 3.24 H new ATOM 0 HB VAL A 71 23.354 -1.975 0.137 1.00 64.44 H new ATOM 0 HG11 VAL A 71 21.241 -3.289 0.348 1.00 21.25 H new ATOM 0 HG12 VAL A 71 22.660 -4.354 0.212 1.00 21.25 H new ATOM 0 HG13 VAL A 71 21.894 -4.091 1.796 1.00 21.25 H new ATOM 0 HG21 VAL A 71 21.425 -1.069 1.431 1.00 35.44 H new ATOM 0 HG22 VAL A 71 22.080 -1.808 2.911 1.00 35.44 H new ATOM 0 HG23 VAL A 71 22.977 -0.506 2.094 1.00 35.44 H new ATOM 706 N VAL A 72 25.802 -3.631 -0.072 1.00 22.12 N ATOM 707 CA VAL A 72 26.538 -4.635 -0.837 1.00 34.21 C ATOM 708 C VAL A 72 27.581 -5.307 0.058 1.00 71.32 C ATOM 709 O VAL A 72 27.657 -6.535 0.106 1.00 0.11 O ATOM 710 CB VAL A 72 27.148 -4.051 -2.128 1.00 60.13 C ATOM 711 CG1 VAL A 72 26.064 -3.438 -3.026 1.00 12.31 C ATOM 712 CG2 VAL A 72 28.233 -2.994 -1.923 1.00 51.32 C ATOM 0 H VAL A 72 25.865 -2.683 -0.444 1.00 22.12 H new ATOM 0 HA VAL A 72 25.837 -5.401 -1.169 1.00 34.21 H new ATOM 0 HB VAL A 72 27.622 -4.914 -2.596 1.00 60.13 H new ATOM 0 HG11 VAL A 72 26.524 -3.035 -3.928 1.00 12.31 H new ATOM 0 HG12 VAL A 72 25.341 -4.206 -3.300 1.00 12.31 H new ATOM 0 HG13 VAL A 72 25.556 -2.637 -2.488 1.00 12.31 H new ATOM 0 HG21 VAL A 72 28.594 -2.650 -2.892 1.00 51.32 H new ATOM 0 HG22 VAL A 72 27.820 -2.151 -1.370 1.00 51.32 H new ATOM 0 HG23 VAL A 72 29.060 -3.426 -1.360 1.00 51.32 H new ATOM 722 N ALA A 73 28.327 -4.503 0.823 1.00 11.35 N ATOM 723 CA ALA A 73 29.314 -4.987 1.776 1.00 15.25 C ATOM 724 C ALA A 73 28.671 -5.903 2.813 1.00 40.00 C ATOM 725 O ALA A 73 29.180 -6.999 3.068 1.00 44.35 O ATOM 726 CB ALA A 73 29.976 -3.801 2.477 1.00 75.53 C ATOM 0 H ALA A 73 28.256 -3.486 0.792 1.00 11.35 H new ATOM 0 HA ALA A 73 30.065 -5.559 1.232 1.00 15.25 H new ATOM 0 HB1 ALA A 73 30.715 -4.166 3.190 1.00 75.53 H new ATOM 0 HB2 ALA A 73 30.467 -3.169 1.737 1.00 75.53 H new ATOM 0 HB3 ALA A 73 29.219 -3.221 3.004 1.00 75.53 H new ATOM 732 N ALA A 74 27.583 -5.428 3.422 1.00 64.40 N ATOM 733 CA ALA A 74 26.897 -6.095 4.509 1.00 53.43 C ATOM 734 C ALA A 74 26.388 -7.446 4.037 1.00 24.25 C ATOM 735 O ALA A 74 26.617 -8.442 4.718 1.00 75.31 O ATOM 736 CB ALA A 74 25.738 -5.233 5.031 1.00 44.32 C ATOM 0 H ALA A 74 27.150 -4.543 3.159 1.00 64.40 H new ATOM 0 HA ALA A 74 27.598 -6.246 5.330 1.00 53.43 H new ATOM 0 HB1 ALA A 74 25.237 -5.753 5.847 1.00 44.32 H new ATOM 0 HB2 ALA A 74 26.127 -4.281 5.392 1.00 44.32 H new ATOM 0 HB3 ALA A 74 25.027 -5.052 4.225 1.00 44.32 H new ATOM 742 N LYS A 75 25.717 -7.480 2.883 1.00 35.32 N ATOM 743 CA LYS A 75 25.197 -8.684 2.252 1.00 73.14 C ATOM 744 C LYS A 75 26.348 -9.642 1.977 1.00 21.44 C ATOM 745 O LYS A 75 26.261 -10.804 2.359 1.00 54.23 O ATOM 746 CB LYS A 75 24.451 -8.280 0.966 1.00 23.44 C ATOM 747 CG LYS A 75 23.570 -9.393 0.373 1.00 32.54 C ATOM 748 CD LYS A 75 24.368 -10.538 -0.272 1.00 72.33 C ATOM 749 CE LYS A 75 23.724 -11.048 -1.567 1.00 71.50 C ATOM 750 NZ LYS A 75 24.615 -10.870 -2.736 1.00 54.20 N1+ ATOM 0 H LYS A 75 25.516 -6.636 2.347 1.00 35.32 H new ATOM 0 HA LYS A 75 24.492 -9.200 2.904 1.00 73.14 H new ATOM 0 HB2 LYS A 75 23.827 -7.412 1.179 1.00 23.44 H new ATOM 0 HB3 LYS A 75 25.181 -7.972 0.217 1.00 23.44 H new ATOM 0 HG2 LYS A 75 22.938 -9.802 1.161 1.00 32.54 H new ATOM 0 HG3 LYS A 75 22.906 -8.959 -0.375 1.00 32.54 H new ATOM 0 HD2 LYS A 75 25.381 -10.196 -0.484 1.00 72.33 H new ATOM 0 HD3 LYS A 75 24.452 -11.362 0.437 1.00 72.33 H new ATOM 0 HE2 LYS A 75 23.476 -12.104 -1.457 1.00 71.50 H new ATOM 0 HE3 LYS A 75 22.788 -10.517 -1.740 1.00 71.50 H new ATOM 0 HZ1 LYS A 75 24.142 -11.227 -3.591 1.00 54.20 H new ATOM 0 HZ2 LYS A 75 24.832 -9.860 -2.857 1.00 54.20 H new ATOM 0 HZ3 LYS A 75 25.498 -11.397 -2.583 1.00 54.20 H new ATOM 764 N ALA A 76 27.406 -9.180 1.301 1.00 74.33 N ATOM 765 CA ALA A 76 28.506 -10.038 0.878 1.00 60.11 C ATOM 766 C ALA A 76 29.145 -10.741 2.075 1.00 72.34 C ATOM 767 O ALA A 76 29.458 -11.927 1.992 1.00 4.43 O ATOM 768 CB ALA A 76 29.542 -9.220 0.098 1.00 0.11 C ATOM 0 H ALA A 76 27.519 -8.202 1.035 1.00 74.33 H new ATOM 0 HA ALA A 76 28.110 -10.811 0.219 1.00 60.11 H new ATOM 0 HB1 ALA A 76 30.359 -9.870 -0.213 1.00 0.11 H new ATOM 0 HB2 ALA A 76 29.072 -8.782 -0.782 1.00 0.11 H new ATOM 0 HB3 ALA A 76 29.932 -8.426 0.734 1.00 0.11 H new ATOM 774 N ALA A 77 29.318 -10.026 3.194 1.00 44.03 N ATOM 775 CA ALA A 77 29.840 -10.635 4.407 1.00 44.25 C ATOM 776 C ALA A 77 28.809 -11.545 5.075 1.00 15.11 C ATOM 777 O ALA A 77 29.143 -12.645 5.501 1.00 55.13 O ATOM 778 CB ALA A 77 30.313 -9.543 5.371 1.00 52.12 C ATOM 0 H ALA A 77 29.103 -9.032 3.277 1.00 44.03 H new ATOM 0 HA ALA A 77 30.688 -11.263 4.135 1.00 44.25 H new ATOM 0 HB1 ALA A 77 30.703 -10.003 6.279 1.00 52.12 H new ATOM 0 HB2 ALA A 77 31.098 -8.954 4.896 1.00 52.12 H new ATOM 0 HB3 ALA A 77 29.475 -8.894 5.625 1.00 52.12 H new ATOM 784 N LEU A 78 27.554 -11.115 5.161 1.00 42.32 N ATOM 785 CA LEU A 78 26.469 -11.873 5.771 1.00 73.12 C ATOM 786 C LEU A 78 26.240 -13.221 5.087 1.00 32.34 C ATOM 787 O LEU A 78 25.782 -14.165 5.726 1.00 33.44 O ATOM 788 CB LEU A 78 25.221 -10.988 5.725 1.00 64.53 C ATOM 789 CG LEU A 78 23.917 -11.638 6.206 1.00 31.51 C ATOM 790 CD1 LEU A 78 23.955 -12.042 7.683 1.00 13.32 C ATOM 791 CD2 LEU A 78 22.769 -10.670 5.947 1.00 34.42 C ATOM 0 H LEU A 78 27.257 -10.208 4.800 1.00 42.32 H new ATOM 0 HA LEU A 78 26.723 -12.122 6.801 1.00 73.12 H new ATOM 0 HB2 LEU A 78 25.406 -10.101 6.331 1.00 64.53 H new ATOM 0 HB3 LEU A 78 25.078 -10.649 4.699 1.00 64.53 H new ATOM 0 HG LEU A 78 23.776 -12.563 5.647 1.00 31.51 H new ATOM 0 HD11 LEU A 78 23.004 -12.495 7.961 1.00 13.32 H new ATOM 0 HD12 LEU A 78 24.760 -12.760 7.843 1.00 13.32 H new ATOM 0 HD13 LEU A 78 24.129 -11.159 8.297 1.00 13.32 H new ATOM 0 HD21 LEU A 78 21.833 -11.117 6.283 1.00 34.42 H new ATOM 0 HD22 LEU A 78 22.945 -9.743 6.492 1.00 34.42 H new ATOM 0 HD23 LEU A 78 22.706 -10.457 4.880 1.00 34.42 H new ATOM 803 N ASP A 79 26.538 -13.340 3.797 1.00 34.34 N ATOM 804 CA ASP A 79 26.392 -14.601 3.069 1.00 32.21 C ATOM 805 C ASP A 79 27.570 -15.534 3.385 1.00 23.54 C ATOM 806 O ASP A 79 27.419 -16.757 3.335 1.00 61.32 O ATOM 807 CB ASP A 79 26.195 -14.309 1.568 1.00 62.13 C ATOM 808 CG ASP A 79 27.246 -14.794 0.570 1.00 31.52 C ATOM 809 OD1 ASP A 79 27.437 -16.025 0.441 1.00 22.52 O ATOM 810 OD2 ASP A 79 27.690 -13.966 -0.251 1.00 71.23 O1- ATOM 0 H ASP A 79 26.886 -12.570 3.226 1.00 34.34 H new ATOM 0 HA ASP A 79 25.500 -15.136 3.395 1.00 32.21 H new ATOM 0 HB2 ASP A 79 25.238 -14.740 1.273 1.00 62.13 H new ATOM 0 HB3 ASP A 79 26.107 -13.229 1.453 1.00 62.13 H new ATOM 815 N ALA A 80 28.701 -14.979 3.838 1.00 3.32 N ATOM 816 CA ALA A 80 29.906 -15.707 4.208 1.00 44.02 C ATOM 817 C ALA A 80 29.974 -15.963 5.719 1.00 74.13 C ATOM 818 O ALA A 80 30.874 -16.670 6.174 1.00 21.22 O ATOM 819 CB ALA A 80 31.127 -14.902 3.745 1.00 32.22 C ATOM 0 H ALA A 80 28.798 -13.971 3.959 1.00 3.32 H new ATOM 0 HA ALA A 80 29.892 -16.682 3.721 1.00 44.02 H new ATOM 0 HB1 ALA A 80 32.038 -15.435 4.015 1.00 32.22 H new ATOM 0 HB2 ALA A 80 31.089 -14.774 2.663 1.00 32.22 H new ATOM 0 HB3 ALA A 80 31.122 -13.924 4.227 1.00 32.22 H new ATOM 825 N VAL A 81 29.058 -15.376 6.494 1.00 71.33 N ATOM 826 CA VAL A 81 29.031 -15.430 7.948 1.00 15.01 C ATOM 827 C VAL A 81 27.568 -15.642 8.389 1.00 24.50 C ATOM 828 O VAL A 81 27.060 -14.974 9.287 1.00 22.20 O ATOM 829 CB VAL A 81 29.741 -14.182 8.556 1.00 1.44 C ATOM 830 CG1 VAL A 81 29.989 -14.303 10.067 1.00 72.24 C ATOM 831 CG2 VAL A 81 31.117 -13.879 7.937 1.00 3.41 C ATOM 0 H VAL A 81 28.288 -14.831 6.106 1.00 71.33 H new ATOM 0 HA VAL A 81 29.602 -16.273 8.337 1.00 15.01 H new ATOM 0 HB VAL A 81 29.037 -13.381 8.331 1.00 1.44 H new ATOM 0 HG11 VAL A 81 30.486 -13.402 10.427 1.00 72.24 H new ATOM 0 HG12 VAL A 81 29.037 -14.424 10.583 1.00 72.24 H new ATOM 0 HG13 VAL A 81 30.621 -15.169 10.264 1.00 72.24 H new ATOM 0 HG21 VAL A 81 31.544 -12.997 8.414 1.00 3.41 H new ATOM 0 HG22 VAL A 81 31.780 -14.731 8.089 1.00 3.41 H new ATOM 0 HG23 VAL A 81 31.003 -13.694 6.869 1.00 3.41 H new ATOM 841 N GLU A 82 26.841 -16.545 7.721 1.00 11.10 N ATOM 842 CA GLU A 82 25.493 -16.936 8.126 1.00 2.43 C ATOM 843 C GLU A 82 25.551 -18.062 9.176 1.00 74.54 C ATOM 844 O GLU A 82 26.631 -18.409 9.649 1.00 32.40 O ATOM 845 CB GLU A 82 24.674 -17.346 6.896 1.00 72.35 C ATOM 846 CG GLU A 82 23.213 -16.930 7.100 1.00 0.41 C ATOM 847 CD GLU A 82 22.306 -17.374 5.948 1.00 34.31 C ATOM 848 OE1 GLU A 82 22.679 -17.132 4.779 1.00 73.14 O ATOM 849 OE2 GLU A 82 21.170 -17.841 6.210 1.00 33.53 O1- ATOM 0 H GLU A 82 27.174 -17.024 6.884 1.00 11.10 H new ATOM 0 HA GLU A 82 24.996 -16.084 8.590 1.00 2.43 H new ATOM 0 HB2 GLU A 82 25.078 -16.872 6.001 1.00 72.35 H new ATOM 0 HB3 GLU A 82 24.740 -18.423 6.743 1.00 72.35 H new ATOM 0 HG2 GLU A 82 22.845 -17.357 8.033 1.00 0.41 H new ATOM 0 HG3 GLU A 82 23.159 -15.846 7.203 1.00 0.41 H new ATOM 856 N GLY A 83 24.419 -18.671 9.544 1.00 23.21 N ATOM 857 CA GLY A 83 24.374 -19.948 10.254 1.00 62.32 C ATOM 858 C GLY A 83 24.626 -19.806 11.752 1.00 60.21 C ATOM 859 O GLY A 83 24.763 -20.804 12.464 1.00 63.52 O ATOM 0 H GLY A 83 23.496 -18.282 9.353 1.00 23.21 H new ATOM 0 HA2 GLY A 83 23.399 -20.410 10.097 1.00 62.32 H new ATOM 0 HA3 GLY A 83 25.118 -20.621 9.828 1.00 62.32 H new ATOM 863 N GLY A 84 24.689 -18.570 12.247 1.00 12.22 N ATOM 864 CA GLY A 84 25.108 -18.317 13.616 1.00 3.41 C ATOM 865 C GLY A 84 26.621 -18.466 13.759 1.00 13.32 C ATOM 866 O GLY A 84 27.082 -18.883 14.822 1.00 72.14 O ATOM 0 H GLY A 84 24.454 -17.731 11.716 1.00 12.22 H new ATOM 0 HA2 GLY A 84 24.808 -17.312 13.913 1.00 3.41 H new ATOM 0 HA3 GLY A 84 24.605 -19.012 14.289 1.00 3.41 H new ATOM 870 N SER A 85 27.392 -18.160 12.709 1.00 23.43 N ATOM 871 CA SER A 85 28.851 -18.058 12.758 1.00 61.21 C ATOM 872 C SER A 85 29.311 -16.826 13.560 1.00 15.41 C ATOM 873 O SER A 85 29.851 -15.882 12.984 1.00 41.04 O ATOM 874 CB SER A 85 29.381 -18.059 11.315 1.00 40.24 C ATOM 875 OG SER A 85 29.265 -19.362 10.782 1.00 73.55 O ATOM 0 H SER A 85 27.008 -17.973 11.783 1.00 23.43 H new ATOM 0 HA SER A 85 29.266 -18.915 13.288 1.00 61.21 H new ATOM 0 HB2 SER A 85 28.817 -17.352 10.707 1.00 40.24 H new ATOM 0 HB3 SER A 85 30.422 -17.736 11.296 1.00 40.24 H new ATOM 0 HG SER A 85 28.424 -19.439 10.285 1.00 73.55 H new ATOM 881 N HIS A 86 29.113 -16.824 14.889 1.00 40.34 N ATOM 882 CA HIS A 86 29.503 -15.820 15.890 1.00 74.41 C ATOM 883 C HIS A 86 29.212 -14.376 15.453 1.00 32.22 C ATOM 884 O HIS A 86 28.129 -13.854 15.722 1.00 13.03 O ATOM 885 CB HIS A 86 30.937 -16.065 16.421 1.00 53.05 C ATOM 886 CG HIS A 86 30.982 -16.395 17.895 1.00 72.45 C ATOM 887 ND1 HIS A 86 30.390 -17.485 18.493 1.00 0.32 N ATOM 888 CD2 HIS A 86 31.594 -15.668 18.883 1.00 11.31 C ATOM 889 CE1 HIS A 86 30.633 -17.414 19.810 1.00 54.25 C ATOM 890 NE2 HIS A 86 31.370 -16.328 20.098 1.00 14.43 N ATOM 0 H HIS A 86 28.627 -17.604 15.332 1.00 40.34 H new ATOM 0 HA HIS A 86 28.850 -15.957 16.752 1.00 74.41 H new ATOM 0 HB2 HIS A 86 31.390 -16.882 15.859 1.00 53.05 H new ATOM 0 HB3 HIS A 86 31.542 -15.177 16.236 1.00 53.05 H new ATOM 0 HD2 HIS A 86 32.149 -14.751 18.749 1.00 11.31 H new ATOM 0 HE1 HIS A 86 30.284 -18.131 20.539 1.00 54.25 H new ATOM 0 HE2 HIS A 86 31.701 -16.041 21.019 1.00 14.43 H new ATOM 898 N ASN A 87 30.133 -13.765 14.703 1.00 20.44 N ATOM 899 CA ASN A 87 29.982 -12.473 14.034 1.00 20.12 C ATOM 900 C ASN A 87 28.742 -12.387 13.142 1.00 71.31 C ATOM 901 O ASN A 87 28.383 -11.281 12.755 1.00 63.11 O ATOM 902 CB ASN A 87 31.237 -12.138 13.206 1.00 64.23 C ATOM 903 CG ASN A 87 32.136 -11.170 13.960 1.00 61.11 C ATOM 904 OD1 ASN A 87 32.993 -11.596 14.731 1.00 62.33 O ATOM 905 ND2 ASN A 87 31.990 -9.871 13.760 1.00 63.15 N ATOM 0 H ASN A 87 31.050 -14.180 14.539 1.00 20.44 H new ATOM 0 HA ASN A 87 29.853 -11.741 14.831 1.00 20.12 H new ATOM 0 HB2 ASN A 87 31.786 -13.053 12.982 1.00 64.23 H new ATOM 0 HB3 ASN A 87 30.943 -11.701 12.252 1.00 64.23 H new ATOM 0 HD21 ASN A 87 32.593 -9.209 14.248 1.00 63.15 H new ATOM 0 HD22 ASN A 87 31.275 -9.531 13.117 1.00 63.15 H new ATOM 912 N TYR A 88 28.045 -13.500 12.896 1.00 75.43 N ATOM 913 CA TYR A 88 26.720 -13.572 12.299 1.00 53.05 C ATOM 914 C TYR A 88 25.782 -12.521 12.894 1.00 24.32 C ATOM 915 O TYR A 88 25.060 -11.860 12.150 1.00 71.41 O ATOM 916 CB TYR A 88 26.148 -14.969 12.536 1.00 63.52 C ATOM 917 CG TYR A 88 24.641 -15.058 12.384 1.00 63.53 C ATOM 918 CD1 TYR A 88 24.066 -15.070 11.104 1.00 43.41 C ATOM 919 CD2 TYR A 88 23.812 -15.090 13.522 1.00 75.41 C ATOM 920 CE1 TYR A 88 22.677 -15.221 10.947 1.00 72.20 C ATOM 921 CE2 TYR A 88 22.423 -15.223 13.381 1.00 73.21 C ATOM 922 CZ TYR A 88 21.856 -15.324 12.093 1.00 4.12 C ATOM 923 OH TYR A 88 20.516 -15.509 11.970 1.00 72.34 O ATOM 0 H TYR A 88 28.416 -14.423 13.123 1.00 75.43 H new ATOM 0 HA TYR A 88 26.806 -13.373 11.231 1.00 53.05 H new ATOM 0 HB2 TYR A 88 26.614 -15.664 11.837 1.00 63.52 H new ATOM 0 HB3 TYR A 88 26.421 -15.296 13.540 1.00 63.52 H new ATOM 0 HD1 TYR A 88 24.695 -14.962 10.233 1.00 43.41 H new ATOM 0 HD2 TYR A 88 24.248 -15.012 14.507 1.00 75.41 H new ATOM 0 HE1 TYR A 88 22.241 -15.258 9.960 1.00 72.20 H new ATOM 0 HE2 TYR A 88 21.790 -15.248 14.255 1.00 73.21 H new ATOM 0 HH TYR A 88 20.109 -15.558 12.860 1.00 72.34 H new ATOM 933 N GLY A 89 25.800 -12.333 14.214 1.00 63.35 N ATOM 934 CA GLY A 89 24.920 -11.360 14.835 1.00 44.23 C ATOM 935 C GLY A 89 25.262 -9.936 14.407 1.00 73.20 C ATOM 936 O GLY A 89 24.354 -9.130 14.223 1.00 43.42 O ATOM 0 H GLY A 89 26.407 -12.837 14.861 1.00 63.35 H new ATOM 0 HA2 GLY A 89 23.887 -11.582 14.569 1.00 44.23 H new ATOM 0 HA3 GLY A 89 24.994 -11.442 15.919 1.00 44.23 H new ATOM 940 N GLU A 90 26.550 -9.626 14.221 1.00 34.23 N ATOM 941 CA GLU A 90 26.990 -8.336 13.705 1.00 14.21 C ATOM 942 C GLU A 90 26.522 -8.194 12.270 1.00 15.11 C ATOM 943 O GLU A 90 25.831 -7.228 11.963 1.00 15.44 O ATOM 944 CB GLU A 90 28.519 -8.155 13.780 1.00 75.33 C ATOM 945 CG GLU A 90 29.093 -8.205 15.201 1.00 75.41 C ATOM 946 CD GLU A 90 28.806 -6.938 16.005 1.00 35.22 C ATOM 947 OE1 GLU A 90 27.651 -6.462 16.024 1.00 74.22 O1- ATOM 948 OE2 GLU A 90 29.742 -6.420 16.657 1.00 3.12 O ATOM 0 H GLU A 90 27.315 -10.269 14.426 1.00 34.23 H new ATOM 0 HA GLU A 90 26.551 -7.560 14.331 1.00 14.21 H new ATOM 0 HB2 GLU A 90 28.995 -8.932 13.181 1.00 75.33 H new ATOM 0 HB3 GLU A 90 28.782 -7.199 13.328 1.00 75.33 H new ATOM 0 HG2 GLU A 90 28.675 -9.064 15.726 1.00 75.41 H new ATOM 0 HG3 GLU A 90 30.171 -8.358 15.147 1.00 75.41 H new ATOM 955 N VAL A 91 26.864 -9.140 11.389 1.00 52.14 N ATOM 956 CA VAL A 91 26.506 -9.003 9.986 1.00 53.11 C ATOM 957 C VAL A 91 24.983 -8.938 9.803 1.00 20.11 C ATOM 958 O VAL A 91 24.527 -8.175 8.949 1.00 32.41 O ATOM 959 CB VAL A 91 27.181 -10.061 9.085 1.00 44.15 C ATOM 960 CG1 VAL A 91 28.664 -9.753 8.874 1.00 34.31 C ATOM 961 CG2 VAL A 91 27.035 -11.490 9.588 1.00 23.44 C ATOM 0 H VAL A 91 27.378 -9.990 11.622 1.00 52.14 H new ATOM 0 HA VAL A 91 26.906 -8.048 9.646 1.00 53.11 H new ATOM 0 HB VAL A 91 26.647 -9.997 8.137 1.00 44.15 H new ATOM 0 HG11 VAL A 91 29.107 -10.517 8.236 1.00 34.31 H new ATOM 0 HG12 VAL A 91 28.769 -8.778 8.399 1.00 34.31 H new ATOM 0 HG13 VAL A 91 29.174 -9.744 9.837 1.00 34.31 H new ATOM 0 HG21 VAL A 91 27.536 -12.171 8.900 1.00 23.44 H new ATOM 0 HG22 VAL A 91 27.487 -11.576 10.576 1.00 23.44 H new ATOM 0 HG23 VAL A 91 25.978 -11.748 9.648 1.00 23.44 H new ATOM 971 N LYS A 92 24.187 -9.658 10.604 1.00 1.33 N ATOM 972 CA LYS A 92 22.728 -9.597 10.528 1.00 51.03 C ATOM 973 C LYS A 92 22.223 -8.236 10.995 1.00 22.14 C ATOM 974 O LYS A 92 21.397 -7.626 10.311 1.00 20.25 O ATOM 975 CB LYS A 92 22.093 -10.758 11.320 1.00 20.53 C ATOM 976 CG LYS A 92 20.579 -10.875 11.060 1.00 4.22 C ATOM 977 CD LYS A 92 19.665 -10.143 12.060 1.00 64.54 C ATOM 978 CE LYS A 92 18.337 -9.803 11.366 1.00 53.23 C ATOM 979 NZ LYS A 92 17.320 -9.236 12.280 1.00 33.14 N1+ ATOM 0 H LYS A 92 24.538 -10.296 11.319 1.00 1.33 H new ATOM 0 HA LYS A 92 22.424 -9.714 9.488 1.00 51.03 H new ATOM 0 HB2 LYS A 92 22.581 -11.693 11.046 1.00 20.53 H new ATOM 0 HB3 LYS A 92 22.267 -10.608 12.385 1.00 20.53 H new ATOM 0 HG2 LYS A 92 20.371 -10.492 10.061 1.00 4.22 H new ATOM 0 HG3 LYS A 92 20.311 -11.932 11.059 1.00 4.22 H new ATOM 0 HD2 LYS A 92 19.484 -10.770 12.933 1.00 64.54 H new ATOM 0 HD3 LYS A 92 20.148 -9.233 12.415 1.00 64.54 H new ATOM 0 HE2 LYS A 92 18.528 -9.092 10.562 1.00 53.23 H new ATOM 0 HE3 LYS A 92 17.936 -10.705 10.905 1.00 53.23 H new ATOM 0 HZ1 LYS A 92 16.930 -8.365 11.868 1.00 33.14 H new ATOM 0 HZ2 LYS A 92 16.555 -9.926 12.419 1.00 33.14 H new ATOM 0 HZ3 LYS A 92 17.760 -9.018 13.197 1.00 33.14 H new ATOM 993 N ALA A 93 22.675 -7.781 12.168 1.00 14.25 N ATOM 994 CA ALA A 93 22.261 -6.507 12.738 1.00 1.12 C ATOM 995 C ALA A 93 22.614 -5.373 11.781 1.00 35.24 C ATOM 996 O ALA A 93 21.752 -4.556 11.463 1.00 35.15 O ATOM 997 CB ALA A 93 22.922 -6.299 14.107 1.00 15.04 C ATOM 0 H ALA A 93 23.341 -8.293 12.747 1.00 14.25 H new ATOM 0 HA ALA A 93 21.181 -6.511 12.883 1.00 1.12 H new ATOM 0 HB1 ALA A 93 22.604 -5.343 14.523 1.00 15.04 H new ATOM 0 HB2 ALA A 93 22.626 -7.104 14.780 1.00 15.04 H new ATOM 0 HB3 ALA A 93 24.006 -6.303 13.992 1.00 15.04 H new ATOM 1003 N ALA A 94 23.865 -5.340 11.321 1.00 42.22 N ATOM 1004 CA ALA A 94 24.379 -4.363 10.380 1.00 73.13 C ATOM 1005 C ALA A 94 23.566 -4.383 9.094 1.00 72.13 C ATOM 1006 O ALA A 94 23.162 -3.326 8.630 1.00 21.22 O ATOM 1007 CB ALA A 94 25.849 -4.658 10.083 1.00 44.21 C ATOM 0 H ALA A 94 24.568 -6.021 11.608 1.00 42.22 H new ATOM 0 HA ALA A 94 24.296 -3.370 10.821 1.00 73.13 H new ATOM 0 HB1 ALA A 94 26.232 -3.922 9.376 1.00 44.21 H new ATOM 0 HB2 ALA A 94 26.424 -4.607 11.007 1.00 44.21 H new ATOM 0 HB3 ALA A 94 25.940 -5.656 9.654 1.00 44.21 H new ATOM 1013 N TYR A 95 23.308 -5.564 8.528 1.00 13.31 N ATOM 1014 CA TYR A 95 22.597 -5.695 7.269 1.00 21.22 C ATOM 1015 C TYR A 95 21.196 -5.114 7.372 1.00 11.24 C ATOM 1016 O TYR A 95 20.849 -4.270 6.549 1.00 64.41 O ATOM 1017 CB TYR A 95 22.568 -7.155 6.827 1.00 71.54 C ATOM 1018 CG TYR A 95 21.755 -7.441 5.579 1.00 44.10 C ATOM 1019 CD1 TYR A 95 22.247 -7.077 4.313 1.00 43.42 C ATOM 1020 CD2 TYR A 95 20.534 -8.133 5.684 1.00 20.54 C ATOM 1021 CE1 TYR A 95 21.545 -7.443 3.152 1.00 71.21 C ATOM 1022 CE2 TYR A 95 19.848 -8.538 4.523 1.00 23.22 C ATOM 1023 CZ TYR A 95 20.376 -8.223 3.252 1.00 1.01 C ATOM 1024 OH TYR A 95 19.791 -8.707 2.124 1.00 71.30 O ATOM 0 H TYR A 95 23.590 -6.455 8.937 1.00 13.31 H new ATOM 0 HA TYR A 95 23.129 -5.124 6.508 1.00 21.22 H new ATOM 0 HB2 TYR A 95 23.593 -7.486 6.656 1.00 71.54 H new ATOM 0 HB3 TYR A 95 22.171 -7.757 7.645 1.00 71.54 H new ATOM 0 HD1 TYR A 95 23.166 -6.515 4.233 1.00 43.42 H new ATOM 0 HD2 TYR A 95 20.122 -8.354 6.658 1.00 20.54 H new ATOM 0 HE1 TYR A 95 21.902 -7.126 2.183 1.00 71.21 H new ATOM 0 HE2 TYR A 95 18.922 -9.087 4.604 1.00 23.22 H new ATOM 0 HH TYR A 95 18.995 -9.226 2.365 1.00 71.30 H new ATOM 1034 N GLU A 96 20.372 -5.520 8.343 1.00 2.13 N ATOM 1035 CA GLU A 96 19.023 -4.955 8.409 1.00 41.02 C ATOM 1036 C GLU A 96 19.054 -3.466 8.754 1.00 52.34 C ATOM 1037 O GLU A 96 18.207 -2.700 8.279 1.00 11.25 O ATOM 1038 CB GLU A 96 18.135 -5.689 9.414 1.00 65.24 C ATOM 1039 CG GLU A 96 17.483 -6.938 8.801 1.00 42.44 C ATOM 1040 CD GLU A 96 16.136 -7.209 9.466 1.00 24.14 C ATOM 1041 OE1 GLU A 96 16.117 -7.386 10.705 1.00 64.34 O1- ATOM 1042 OE2 GLU A 96 15.096 -7.144 8.767 1.00 14.31 O ATOM 0 H GLU A 96 20.600 -6.206 9.063 1.00 2.13 H new ATOM 0 HA GLU A 96 18.595 -5.083 7.415 1.00 41.02 H new ATOM 0 HB2 GLU A 96 18.730 -5.979 10.280 1.00 65.24 H new ATOM 0 HB3 GLU A 96 17.358 -5.014 9.773 1.00 65.24 H new ATOM 0 HG2 GLU A 96 17.346 -6.797 7.729 1.00 42.44 H new ATOM 0 HG3 GLU A 96 18.139 -7.799 8.928 1.00 42.44 H new ATOM 1049 N ALA A 97 20.013 -3.042 9.581 1.00 65.13 N ATOM 1050 CA ALA A 97 20.164 -1.645 9.936 1.00 32.41 C ATOM 1051 C ALA A 97 20.509 -0.811 8.695 1.00 12.02 C ATOM 1052 O ALA A 97 19.804 0.157 8.414 1.00 10.44 O ATOM 1053 CB ALA A 97 21.172 -1.502 11.075 1.00 71.32 C ATOM 0 H ALA A 97 20.698 -3.660 10.016 1.00 65.13 H new ATOM 0 HA ALA A 97 19.219 -1.249 10.309 1.00 32.41 H new ATOM 0 HB1 ALA A 97 21.280 -0.449 11.336 1.00 71.32 H new ATOM 0 HB2 ALA A 97 20.820 -2.057 11.945 1.00 71.32 H new ATOM 0 HB3 ALA A 97 22.137 -1.898 10.759 1.00 71.32 H new ATOM 1059 N ALA A 98 21.525 -1.205 7.926 1.00 51.41 N ATOM 1060 CA ALA A 98 21.920 -0.578 6.670 1.00 23.32 C ATOM 1061 C ALA A 98 20.797 -0.657 5.630 1.00 60.51 C ATOM 1062 O ALA A 98 20.571 0.298 4.897 1.00 71.23 O ATOM 1063 CB ALA A 98 23.191 -1.254 6.141 1.00 63.41 C ATOM 0 H ALA A 98 22.115 -1.999 8.173 1.00 51.41 H new ATOM 0 HA ALA A 98 22.120 0.477 6.856 1.00 23.32 H new ATOM 0 HB1 ALA A 98 23.488 -0.787 5.202 1.00 63.41 H new ATOM 0 HB2 ALA A 98 23.993 -1.143 6.871 1.00 63.41 H new ATOM 0 HB3 ALA A 98 22.997 -2.313 5.973 1.00 63.41 H new ATOM 1069 N PHE A 99 20.064 -1.772 5.570 1.00 72.52 N ATOM 1070 CA PHE A 99 18.979 -1.971 4.617 1.00 63.44 C ATOM 1071 C PHE A 99 17.889 -0.923 4.831 1.00 21.45 C ATOM 1072 O PHE A 99 17.536 -0.217 3.892 1.00 21.22 O ATOM 1073 CB PHE A 99 18.420 -3.397 4.737 1.00 24.41 C ATOM 1074 CG PHE A 99 17.237 -3.678 3.833 1.00 44.20 C ATOM 1075 CD1 PHE A 99 17.451 -4.049 2.494 1.00 21.24 C ATOM 1076 CD2 PHE A 99 15.920 -3.561 4.325 1.00 5.01 C ATOM 1077 CE1 PHE A 99 16.355 -4.303 1.651 1.00 74.33 C ATOM 1078 CE2 PHE A 99 14.825 -3.813 3.479 1.00 12.35 C ATOM 1079 CZ PHE A 99 15.044 -4.184 2.140 1.00 63.10 C ATOM 0 H PHE A 99 20.212 -2.568 6.190 1.00 72.52 H new ATOM 0 HA PHE A 99 19.366 -1.849 3.605 1.00 63.44 H new ATOM 0 HB2 PHE A 99 19.215 -4.107 4.508 1.00 24.41 H new ATOM 0 HB3 PHE A 99 18.123 -3.573 5.771 1.00 24.41 H new ATOM 0 HD1 PHE A 99 18.458 -4.139 2.113 1.00 21.24 H new ATOM 0 HD2 PHE A 99 15.752 -3.277 5.353 1.00 5.01 H new ATOM 0 HE1 PHE A 99 16.522 -4.591 0.623 1.00 74.33 H new ATOM 0 HE2 PHE A 99 13.817 -3.722 3.857 1.00 12.35 H new ATOM 0 HZ PHE A 99 14.205 -4.377 1.489 1.00 63.10 H new ATOM 1089 N ASN A 100 17.336 -0.822 6.046 1.00 44.32 N ATOM 1090 CA ASN A 100 16.273 0.142 6.313 1.00 61.44 C ATOM 1091 C ASN A 100 16.796 1.579 6.316 1.00 24.12 C ATOM 1092 O ASN A 100 16.059 2.489 5.949 1.00 32.24 O ATOM 1093 CB ASN A 100 15.550 -0.172 7.625 1.00 44.32 C ATOM 1094 CG ASN A 100 16.214 0.415 8.853 1.00 42.30 C ATOM 1095 OD1 ASN A 100 16.016 1.577 9.199 1.00 23.42 O ATOM 1096 ND2 ASN A 100 17.019 -0.388 9.516 1.00 70.10 N ATOM 0 H ASN A 100 17.606 -1.391 6.848 1.00 44.32 H new ATOM 0 HA ASN A 100 15.553 0.053 5.499 1.00 61.44 H new ATOM 0 HB2 ASN A 100 14.528 0.203 7.563 1.00 44.32 H new ATOM 0 HB3 ASN A 100 15.486 -1.254 7.742 1.00 44.32 H new ATOM 0 HD21 ASN A 100 17.504 -0.051 10.348 1.00 70.10 H new ATOM 0 HD22 ASN A 100 17.158 -1.347 9.198 1.00 70.10 H new ATOM 1103 N ASN A 101 18.055 1.781 6.709 1.00 51.41 N ATOM 1104 CA ASN A 101 18.770 3.045 6.595 1.00 73.20 C ATOM 1105 C ASN A 101 18.707 3.529 5.151 1.00 32.45 C ATOM 1106 O ASN A 101 18.149 4.592 4.891 1.00 31.51 O ATOM 1107 CB ASN A 101 20.212 2.874 7.091 1.00 50.11 C ATOM 1108 CG ASN A 101 21.073 4.063 6.736 1.00 74.20 C ATOM 1109 OD1 ASN A 101 21.131 5.041 7.476 1.00 44.11 O ATOM 1110 ND2 ASN A 101 21.763 4.000 5.614 1.00 44.32 N ATOM 0 H ASN A 101 18.620 1.043 7.129 1.00 51.41 H new ATOM 0 HA ASN A 101 18.302 3.804 7.222 1.00 73.20 H new ATOM 0 HB2 ASN A 101 20.210 2.737 8.172 1.00 50.11 H new ATOM 0 HB3 ASN A 101 20.641 1.972 6.656 1.00 50.11 H new ATOM 0 HD21 ASN A 101 22.365 4.777 5.341 1.00 44.32 H new ATOM 0 HD22 ASN A 101 21.695 3.174 5.019 1.00 44.32 H new ATOM 1117 N ALA A 102 19.237 2.728 4.226 1.00 64.43 N ATOM 1118 CA ALA A 102 19.285 3.019 2.807 1.00 41.23 C ATOM 1119 C ALA A 102 17.867 3.189 2.265 1.00 3.24 C ATOM 1120 O ALA A 102 17.528 4.240 1.732 1.00 12.13 O ATOM 1121 CB ALA A 102 20.034 1.886 2.100 1.00 33.54 C ATOM 0 H ALA A 102 19.658 1.829 4.461 1.00 64.43 H new ATOM 0 HA ALA A 102 19.817 3.953 2.624 1.00 41.23 H new ATOM 0 HB1 ALA A 102 20.078 2.091 1.030 1.00 33.54 H new ATOM 0 HB2 ALA A 102 21.046 1.815 2.498 1.00 33.54 H new ATOM 0 HB3 ALA A 102 19.511 0.944 2.268 1.00 33.54 H new ATOM 1127 N PHE A 103 17.020 2.167 2.415 1.00 23.23 N ATOM 1128 CA PHE A 103 15.701 2.132 1.800 1.00 51.01 C ATOM 1129 C PHE A 103 14.858 3.320 2.240 1.00 24.11 C ATOM 1130 O PHE A 103 14.245 3.973 1.393 1.00 5.13 O ATOM 1131 CB PHE A 103 15.005 0.803 2.104 1.00 41.02 C ATOM 1132 CG PHE A 103 13.682 0.616 1.382 1.00 72.40 C ATOM 1133 CD1 PHE A 103 13.655 0.478 -0.018 1.00 11.03 C ATOM 1134 CD2 PHE A 103 12.478 0.555 2.106 1.00 5.24 C ATOM 1135 CE1 PHE A 103 12.440 0.244 -0.688 1.00 54.43 C ATOM 1136 CE2 PHE A 103 11.267 0.297 1.442 1.00 52.10 C ATOM 1137 CZ PHE A 103 11.246 0.143 0.044 1.00 33.54 C ATOM 0 H PHE A 103 17.236 1.339 2.970 1.00 23.23 H new ATOM 0 HA PHE A 103 15.823 2.207 0.719 1.00 51.01 H new ATOM 0 HB2 PHE A 103 15.673 -0.015 1.833 1.00 41.02 H new ATOM 0 HB3 PHE A 103 14.834 0.732 3.178 1.00 41.02 H new ATOM 0 HD1 PHE A 103 14.573 0.552 -0.582 1.00 11.03 H new ATOM 0 HD2 PHE A 103 12.484 0.707 3.175 1.00 5.24 H new ATOM 0 HE1 PHE A 103 12.426 0.142 -1.763 1.00 54.43 H new ATOM 0 HE2 PHE A 103 10.350 0.217 2.006 1.00 52.10 H new ATOM 0 HZ PHE A 103 10.314 -0.052 -0.465 1.00 33.54 H new ATOM 1147 N ASN A 104 14.823 3.624 3.542 1.00 32.53 N ATOM 1148 CA ASN A 104 14.013 4.739 3.997 1.00 71.24 C ATOM 1149 C ASN A 104 14.636 6.062 3.570 1.00 22.41 C ATOM 1150 O ASN A 104 13.886 6.956 3.188 1.00 23.54 O ATOM 1151 CB ASN A 104 13.752 4.713 5.508 1.00 31.55 C ATOM 1152 CG ASN A 104 12.416 5.377 5.826 1.00 2.13 C ATOM 1153 OD1 ASN A 104 11.426 4.696 6.057 1.00 10.14 O ATOM 1154 ND2 ASN A 104 12.306 6.693 5.811 1.00 25.43 N ATOM 0 H ASN A 104 15.332 3.126 4.273 1.00 32.53 H new ATOM 0 HA ASN A 104 13.039 4.637 3.518 1.00 71.24 H new ATOM 0 HB2 ASN A 104 13.748 3.683 5.866 1.00 31.55 H new ATOM 0 HB3 ASN A 104 14.556 5.229 6.032 1.00 31.55 H new ATOM 0 HD21 ASN A 104 11.403 7.131 5.991 1.00 25.43 H new ATOM 0 HD22 ASN A 104 13.124 7.271 5.620 1.00 25.43 H new ATOM 1161 N ALA A 105 15.969 6.197 3.584 1.00 50.22 N ATOM 1162 CA ALA A 105 16.643 7.410 3.131 1.00 73.32 C ATOM 1163 C ALA A 105 16.290 7.719 1.681 1.00 1.44 C ATOM 1164 O ALA A 105 15.779 8.803 1.389 1.00 25.12 O ATOM 1165 CB ALA A 105 18.158 7.304 3.328 1.00 74.32 C ATOM 0 H ALA A 105 16.604 5.468 3.909 1.00 50.22 H new ATOM 0 HA ALA A 105 16.290 8.241 3.742 1.00 73.32 H new ATOM 0 HB1 ALA A 105 18.635 8.221 2.982 1.00 74.32 H new ATOM 0 HB2 ALA A 105 18.378 7.157 4.385 1.00 74.32 H new ATOM 0 HB3 ALA A 105 18.541 6.458 2.757 1.00 74.32 H new ATOM 1171 N VAL A 106 16.490 6.755 0.780 1.00 73.34 N ATOM 1172 CA VAL A 106 16.123 6.884 -0.622 1.00 62.40 C ATOM 1173 C VAL A 106 14.625 7.205 -0.718 1.00 31.54 C ATOM 1174 O VAL A 106 14.263 8.189 -1.369 1.00 4.23 O ATOM 1175 CB VAL A 106 16.538 5.613 -1.403 1.00 51.42 C ATOM 1176 CG1 VAL A 106 16.152 5.697 -2.885 1.00 15.44 C ATOM 1177 CG2 VAL A 106 18.058 5.389 -1.370 1.00 3.12 C ATOM 0 H VAL A 106 16.915 5.857 1.010 1.00 73.34 H new ATOM 0 HA VAL A 106 16.660 7.709 -1.089 1.00 62.40 H new ATOM 0 HB VAL A 106 16.012 4.795 -0.910 1.00 51.42 H new ATOM 0 HG11 VAL A 106 16.462 4.784 -3.394 1.00 15.44 H new ATOM 0 HG12 VAL A 106 15.072 5.813 -2.974 1.00 15.44 H new ATOM 0 HG13 VAL A 106 16.647 6.554 -3.342 1.00 15.44 H new ATOM 0 HG21 VAL A 106 18.305 4.487 -1.930 1.00 3.12 H new ATOM 0 HG22 VAL A 106 18.562 6.245 -1.820 1.00 3.12 H new ATOM 0 HG23 VAL A 106 18.387 5.276 -0.337 1.00 3.12 H new ATOM 1187 N ARG A 107 13.741 6.426 -0.067 1.00 42.02 N ATOM 1188 CA ARG A 107 12.296 6.612 -0.252 1.00 44.41 C ATOM 1189 C ARG A 107 11.910 8.027 0.209 1.00 24.32 C ATOM 1190 O ARG A 107 11.143 8.717 -0.464 1.00 31.35 O ATOM 1191 CB ARG A 107 11.453 5.474 0.397 1.00 71.22 C ATOM 1192 CG ARG A 107 10.867 5.703 1.810 1.00 14.45 C ATOM 1193 CD ARG A 107 10.375 4.477 2.604 1.00 63.10 C ATOM 1194 NE ARG A 107 9.818 3.403 1.771 1.00 14.42 N ATOM 1195 CZ ARG A 107 8.754 2.636 2.066 1.00 64.30 C ATOM 1196 NH1 ARG A 107 8.071 2.794 3.192 1.00 70.42 N1+ ATOM 1197 NH2 ARG A 107 8.361 1.689 1.218 1.00 53.10 N ATOM 0 H ARG A 107 13.997 5.678 0.578 1.00 42.02 H new ATOM 0 HA ARG A 107 12.055 6.532 -1.312 1.00 44.41 H new ATOM 0 HB2 ARG A 107 10.623 5.252 -0.274 1.00 71.22 H new ATOM 0 HB3 ARG A 107 12.077 4.581 0.438 1.00 71.22 H new ATOM 0 HG2 ARG A 107 11.628 6.203 2.409 1.00 14.45 H new ATOM 0 HG3 ARG A 107 10.030 6.395 1.715 1.00 14.45 H new ATOM 0 HD2 ARG A 107 11.206 4.077 3.185 1.00 63.10 H new ATOM 0 HD3 ARG A 107 9.615 4.800 3.316 1.00 63.10 H new ATOM 0 HE ARG A 107 10.284 3.221 0.882 1.00 14.42 H new ATOM 0 HH11 ARG A 107 8.349 3.512 3.861 1.00 70.42 H new ATOM 0 HH12 ARG A 107 7.268 2.197 3.389 1.00 70.42 H new ATOM 0 HH21 ARG A 107 8.867 1.545 0.344 1.00 53.10 H new ATOM 0 HH22 ARG A 107 7.554 1.107 1.442 1.00 53.10 H new ATOM 1211 N ASN A 108 12.468 8.477 1.337 1.00 50.04 N ATOM 1212 CA ASN A 108 12.257 9.804 1.897 1.00 41.01 C ATOM 1213 C ASN A 108 12.711 10.875 0.913 1.00 51.42 C ATOM 1214 O ASN A 108 11.910 11.738 0.561 1.00 1.02 O ATOM 1215 CB ASN A 108 12.981 9.992 3.242 1.00 51.20 C ATOM 1216 CG ASN A 108 13.005 11.460 3.665 1.00 22.35 C ATOM 1217 OD1 ASN A 108 14.053 12.021 3.967 1.00 31.23 O ATOM 1218 ND2 ASN A 108 11.873 12.140 3.671 1.00 41.02 N ATOM 0 H ASN A 108 13.098 7.905 1.899 1.00 50.04 H new ATOM 0 HA ASN A 108 11.187 9.905 2.080 1.00 41.01 H new ATOM 0 HB2 ASN A 108 12.484 9.399 4.010 1.00 51.20 H new ATOM 0 HB3 ASN A 108 14.002 9.619 3.162 1.00 51.20 H new ATOM 0 HD21 ASN A 108 11.873 13.128 3.926 1.00 41.02 H new ATOM 0 HD22 ASN A 108 10.999 11.678 3.421 1.00 41.02 H new ATOM 1225 N LYS A 109 13.982 10.851 0.499 1.00 13.13 N ATOM 1226 CA LYS A 109 14.569 11.870 -0.361 1.00 42.12 C ATOM 1227 C LYS A 109 13.770 11.995 -1.648 1.00 13.14 C ATOM 1228 O LYS A 109 13.408 13.108 -2.025 1.00 45.04 O ATOM 1229 CB LYS A 109 16.045 11.525 -0.601 1.00 43.03 C ATOM 1230 CG LYS A 109 16.733 12.496 -1.573 1.00 62.42 C ATOM 1231 CD LYS A 109 18.261 12.399 -1.448 1.00 4.21 C ATOM 1232 CE LYS A 109 18.737 13.384 -0.373 1.00 22.42 C ATOM 1233 NZ LYS A 109 20.172 13.245 -0.058 1.00 74.11 N1+ ATOM 0 H LYS A 109 14.636 10.112 0.758 1.00 13.13 H new ATOM 0 HA LYS A 109 14.530 12.848 0.119 1.00 42.12 H new ATOM 0 HB2 LYS A 109 16.575 11.535 0.351 1.00 43.03 H new ATOM 0 HB3 LYS A 109 16.117 10.511 -0.995 1.00 43.03 H new ATOM 0 HG2 LYS A 109 16.432 12.269 -2.596 1.00 62.42 H new ATOM 0 HG3 LYS A 109 16.410 13.516 -1.365 1.00 62.42 H new ATOM 0 HD2 LYS A 109 18.553 11.383 -1.184 1.00 4.21 H new ATOM 0 HD3 LYS A 109 18.732 12.628 -2.404 1.00 4.21 H new ATOM 0 HE2 LYS A 109 18.541 14.402 -0.709 1.00 22.42 H new ATOM 0 HE3 LYS A 109 18.155 13.231 0.536 1.00 22.42 H new ATOM 0 HZ1 LYS A 109 20.435 13.936 0.674 1.00 74.11 H new ATOM 0 HZ2 LYS A 109 20.359 12.283 0.290 1.00 74.11 H new ATOM 0 HZ3 LYS A 109 20.734 13.418 -0.916 1.00 74.11 H new ATOM 1247 N TYR A 110 13.451 10.877 -2.303 1.00 74.50 N ATOM 1248 CA TYR A 110 12.662 10.902 -3.523 1.00 23.13 C ATOM 1249 C TYR A 110 11.296 11.539 -3.306 1.00 23.52 C ATOM 1250 O TYR A 110 10.919 12.416 -4.088 1.00 64.50 O ATOM 1251 CB TYR A 110 12.534 9.500 -4.117 1.00 2.42 C ATOM 1252 CG TYR A 110 13.641 9.229 -5.106 1.00 5.01 C ATOM 1253 CD1 TYR A 110 13.529 9.748 -6.406 1.00 3.04 C ATOM 1254 CD2 TYR A 110 14.796 8.523 -4.731 1.00 10.13 C ATOM 1255 CE1 TYR A 110 14.547 9.540 -7.345 1.00 63.40 C ATOM 1256 CE2 TYR A 110 15.821 8.303 -5.665 1.00 1.03 C ATOM 1257 CZ TYR A 110 15.690 8.798 -6.981 1.00 44.34 C ATOM 1258 OH TYR A 110 16.675 8.588 -7.884 1.00 23.14 O ATOM 0 H TYR A 110 13.731 9.943 -2.003 1.00 74.50 H new ATOM 0 HA TYR A 110 13.192 11.527 -4.241 1.00 23.13 H new ATOM 0 HB2 TYR A 110 12.565 8.759 -3.319 1.00 2.42 H new ATOM 0 HB3 TYR A 110 11.567 9.397 -4.610 1.00 2.42 H new ATOM 0 HD1 TYR A 110 12.651 10.312 -6.684 1.00 3.04 H new ATOM 0 HD2 TYR A 110 14.896 8.149 -3.723 1.00 10.13 H new ATOM 0 HE1 TYR A 110 14.457 9.945 -8.342 1.00 63.40 H new ATOM 0 HE2 TYR A 110 16.707 7.757 -5.378 1.00 1.03 H new ATOM 0 HH TYR A 110 17.390 8.060 -7.471 1.00 23.14 H new ATOM 1268 N VAL A 111 10.562 11.130 -2.266 1.00 52.34 N ATOM 1269 CA VAL A 111 9.249 11.705 -1.985 1.00 73.54 C ATOM 1270 C VAL A 111 9.380 13.199 -1.684 1.00 31.52 C ATOM 1271 O VAL A 111 8.611 13.988 -2.233 1.00 2.32 O ATOM 1272 CB VAL A 111 8.557 10.935 -0.846 1.00 24.12 C ATOM 1273 CG1 VAL A 111 7.259 11.615 -0.389 1.00 4.02 C ATOM 1274 CG2 VAL A 111 8.181 9.520 -1.307 1.00 42.23 C ATOM 0 H VAL A 111 10.856 10.406 -1.610 1.00 52.34 H new ATOM 0 HA VAL A 111 8.615 11.607 -2.867 1.00 73.54 H new ATOM 0 HB VAL A 111 9.269 10.911 -0.021 1.00 24.12 H new ATOM 0 HG11 VAL A 111 6.808 11.034 0.416 1.00 4.02 H new ATOM 0 HG12 VAL A 111 7.481 12.620 -0.031 1.00 4.02 H new ATOM 0 HG13 VAL A 111 6.565 11.674 -1.227 1.00 4.02 H new ATOM 0 HG21 VAL A 111 7.693 8.989 -0.490 1.00 42.23 H new ATOM 0 HG22 VAL A 111 7.501 9.583 -2.157 1.00 42.23 H new ATOM 0 HG23 VAL A 111 9.082 8.982 -1.602 1.00 42.23 H new ATOM 1284 N GLN A 112 10.322 13.616 -0.832 1.00 63.50 N ATOM 1285 CA GLN A 112 10.472 15.025 -0.498 1.00 10.31 C ATOM 1286 C GLN A 112 10.827 15.831 -1.742 1.00 63.10 C ATOM 1287 O GLN A 112 10.183 16.844 -1.976 1.00 14.22 O ATOM 1288 CB GLN A 112 11.481 15.256 0.634 1.00 70.24 C ATOM 1289 CG GLN A 112 10.824 15.026 2.002 1.00 41.21 C ATOM 1290 CD GLN A 112 11.758 15.417 3.136 1.00 71.43 C ATOM 1291 OE1 GLN A 112 12.804 14.805 3.301 1.00 21.31 O ATOM 1292 NE2 GLN A 112 11.389 16.374 3.973 1.00 30.51 N ATOM 0 H GLN A 112 10.986 12.997 -0.366 1.00 63.50 H new ATOM 0 HA GLN A 112 9.511 15.377 -0.123 1.00 10.31 H new ATOM 0 HB2 GLN A 112 12.329 14.582 0.515 1.00 70.24 H new ATOM 0 HB3 GLN A 112 11.871 16.272 0.579 1.00 70.24 H new ATOM 0 HG2 GLN A 112 9.904 15.607 2.069 1.00 41.21 H new ATOM 0 HG3 GLN A 112 10.546 13.977 2.102 1.00 41.21 H new ATOM 0 HE21 GLN A 112 10.514 16.875 3.821 1.00 30.51 H new ATOM 0 HE22 GLN A 112 11.980 16.611 4.770 1.00 30.51 H new ATOM 1301 N ARG A 113 11.781 15.385 -2.567 1.00 42.00 N ATOM 1302 CA ARG A 113 12.092 16.031 -3.843 1.00 23.55 C ATOM 1303 C ARG A 113 10.836 16.163 -4.699 1.00 54.20 C ATOM 1304 O ARG A 113 10.539 17.257 -5.174 1.00 65.14 O ATOM 1305 CB ARG A 113 13.175 15.242 -4.595 1.00 34.21 C ATOM 1306 CG ARG A 113 14.592 15.509 -4.063 1.00 3.34 C ATOM 1307 CD ARG A 113 15.633 14.713 -4.857 1.00 70.53 C ATOM 1308 NE ARG A 113 15.763 15.179 -6.253 1.00 25.51 N ATOM 1309 CZ ARG A 113 16.486 14.576 -7.205 1.00 31.51 C ATOM 1310 NH1 ARG A 113 17.009 13.372 -6.996 1.00 61.41 N1+ ATOM 1311 NH2 ARG A 113 16.709 15.177 -8.365 1.00 42.22 N ATOM 0 H ARG A 113 12.357 14.567 -2.368 1.00 42.00 H new ATOM 0 HA ARG A 113 12.473 17.031 -3.637 1.00 23.55 H new ATOM 0 HB2 ARG A 113 12.959 14.176 -4.519 1.00 34.21 H new ATOM 0 HB3 ARG A 113 13.136 15.500 -5.653 1.00 34.21 H new ATOM 0 HG2 ARG A 113 14.815 16.574 -4.129 1.00 3.34 H new ATOM 0 HG3 ARG A 113 14.646 15.237 -3.009 1.00 3.34 H new ATOM 0 HD2 ARG A 113 16.600 14.791 -4.361 1.00 70.53 H new ATOM 0 HD3 ARG A 113 15.358 13.658 -4.854 1.00 70.53 H new ATOM 0 HE ARG A 113 15.262 16.029 -6.512 1.00 25.51 H new ATOM 0 HH11 ARG A 113 16.861 12.899 -6.104 1.00 61.41 H new ATOM 0 HH12 ARG A 113 17.558 12.921 -7.727 1.00 61.41 H new ATOM 0 HH21 ARG A 113 16.329 16.107 -8.539 1.00 42.22 H new ATOM 0 HH22 ARG A 113 17.261 14.709 -9.084 1.00 42.22 H new ATOM 1325 N PHE A 114 10.081 15.071 -4.857 1.00 3.42 N ATOM 1326 CA PHE A 114 8.846 15.047 -5.630 1.00 54.44 C ATOM 1327 C PHE A 114 7.887 16.107 -5.086 1.00 4.14 C ATOM 1328 O PHE A 114 7.603 17.085 -5.777 1.00 64.40 O ATOM 1329 CB PHE A 114 8.250 13.626 -5.637 1.00 3.03 C ATOM 1330 CG PHE A 114 6.967 13.414 -6.429 1.00 51.13 C ATOM 1331 CD1 PHE A 114 6.813 13.973 -7.716 1.00 61.53 C ATOM 1332 CD2 PHE A 114 5.953 12.577 -5.912 1.00 21.25 C ATOM 1333 CE1 PHE A 114 5.674 13.675 -8.485 1.00 70.42 C ATOM 1334 CE2 PHE A 114 4.829 12.257 -6.697 1.00 70.24 C ATOM 1335 CZ PHE A 114 4.700 12.793 -7.990 1.00 24.11 C ATOM 0 H PHE A 114 10.318 14.169 -4.444 1.00 3.42 H new ATOM 0 HA PHE A 114 9.043 15.298 -6.672 1.00 54.44 H new ATOM 0 HB2 PHE A 114 9.005 12.945 -6.029 1.00 3.03 H new ATOM 0 HB3 PHE A 114 8.062 13.333 -4.604 1.00 3.03 H new ATOM 0 HD1 PHE A 114 7.572 14.632 -8.111 1.00 61.53 H new ATOM 0 HD2 PHE A 114 6.040 12.181 -4.911 1.00 21.25 H new ATOM 0 HE1 PHE A 114 5.548 14.126 -9.458 1.00 70.42 H new ATOM 0 HE2 PHE A 114 4.066 11.600 -6.306 1.00 70.24 H new ATOM 0 HZ PHE A 114 3.852 12.526 -8.603 1.00 24.11 H new ATOM 1345 N GLN A 115 7.405 15.981 -3.844 1.00 34.52 N ATOM 1346 CA GLN A 115 6.450 16.954 -3.325 1.00 12.41 C ATOM 1347 C GLN A 115 7.030 18.366 -3.254 1.00 71.44 C ATOM 1348 O GLN A 115 6.259 19.308 -3.344 1.00 2.02 O ATOM 1349 CB GLN A 115 5.821 16.558 -1.980 1.00 72.10 C ATOM 1350 CG GLN A 115 6.800 16.343 -0.820 1.00 65.54 C ATOM 1351 CD GLN A 115 6.370 17.030 0.472 1.00 61.11 C ATOM 1352 OE1 GLN A 115 6.816 18.137 0.770 1.00 70.33 O ATOM 1353 NE2 GLN A 115 5.518 16.409 1.263 1.00 5.23 N ATOM 0 H GLN A 115 7.655 15.233 -3.197 1.00 34.52 H new ATOM 0 HA GLN A 115 5.642 16.955 -4.057 1.00 12.41 H new ATOM 0 HB2 GLN A 115 5.110 17.332 -1.691 1.00 72.10 H new ATOM 0 HB3 GLN A 115 5.251 15.640 -2.124 1.00 72.10 H new ATOM 0 HG2 GLN A 115 6.905 15.274 -0.636 1.00 65.54 H new ATOM 0 HG3 GLN A 115 7.783 16.714 -1.110 1.00 65.54 H new ATOM 0 HE21 GLN A 115 5.156 15.491 1.003 1.00 5.23 H new ATOM 0 HE22 GLN A 115 5.220 16.846 2.135 1.00 5.23 H new