USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 705 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 45 LYS NZ :NH3+ -167:sc= 2.27 (180deg=0.348) USER MOD Set 1.2: B 65 ASN : amide:sc= 0.794 K(o=3.1,f=-7.4!) USER MOD Set 2.1: A 66 GLN : amide:sc= 0 K(o=1.2,f=0.38) USER MOD Set 2.2: A 70 ASN : amide:sc= 1.21 K(o=1.2,f=0.38) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.034 K(o=-0.034,f=-3.7!) USER MOD Single : A 40 ASN : amide:sc= -2.07! C(o=-2.1!,f=-6.9!) USER MOD Single : A 46 HIS : no HD1:sc= -1.75! C(o=-1.7!,f=-2.1!) USER MOD Single : A 47 THR OG1 : rot 98:sc= 1.27 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -42:sc= 0.0131 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0145 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 65 ASN : amide:sc= -0.145 K(o=-0.15,f=-1.4) USER MOD Single : A 73 LYS NZ :NH3+ 161:sc= 1.22 (180deg=1.15) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 171:sc= 1.26 (180deg=0.995) USER MOD Single : B 38 ASN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : B 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 45 LYS NZ :NH3+ -106:sc= 1.31 (180deg=-0.274) USER MOD Single : B 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 47 THR OG1 : rot 64:sc= 0.461 USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 CYS SG : rot -15:sc= -0.507 USER MOD Single : B 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 58 THR OG1 : rot -53:sc= 1.15 USER MOD Single : B 59 SER OG : rot 68:sc= 1.33 USER MOD Single : B 61 THR OG1 : rot 180:sc= 0.0993 USER MOD Single : B 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 73 LYS NZ :NH3+ 156:sc= 1.26 (180deg=0.953) USER MOD Single : B 75 ASN : amide:sc= 0.863 K(o=0.86,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 518 N ILE A 34 0.947 12.950 -4.170 1.00 0.64 N ATOM 519 CA ILE A 34 1.188 11.551 -3.853 1.00 0.59 C ATOM 520 C ILE A 34 1.227 10.722 -5.131 1.00 0.52 C ATOM 521 O ILE A 34 0.347 10.833 -5.986 1.00 0.59 O ATOM 522 CB ILE A 34 0.109 10.996 -2.893 1.00 0.65 C ATOM 523 CG1 ILE A 34 0.158 11.737 -1.554 1.00 1.10 C ATOM 524 CG2 ILE A 34 0.292 9.500 -2.673 1.00 1.06 C ATOM 525 CD1 ILE A 34 -1.199 11.911 -0.904 1.00 1.67 C ATOM 0 HA ILE A 34 2.153 11.483 -3.351 1.00 0.59 H new ATOM 0 HB ILE A 34 -0.867 11.156 -3.351 1.00 0.65 H new ATOM 0 HG12 ILE A 34 0.811 11.193 -0.871 1.00 1.10 H new ATOM 0 HG13 ILE A 34 0.606 12.719 -1.708 1.00 1.10 H new ATOM 0 HG21 ILE A 34 -0.479 9.135 -1.995 1.00 1.06 H new ATOM 0 HG22 ILE A 34 0.212 8.979 -3.627 1.00 1.06 H new ATOM 0 HG23 ILE A 34 1.275 9.314 -2.240 1.00 1.06 H new ATOM 0 HD11 ILE A 34 -1.085 12.444 0.040 1.00 1.67 H new ATOM 0 HD12 ILE A 34 -1.849 12.482 -1.567 1.00 1.67 H new ATOM 0 HD13 ILE A 34 -1.641 10.932 -0.717 1.00 1.67 H new ATOM 537 N LYS A 35 2.257 9.904 -5.255 1.00 0.50 N ATOM 538 CA LYS A 35 2.442 9.040 -6.411 1.00 0.49 C ATOM 539 C LYS A 35 2.362 7.581 -5.969 1.00 0.44 C ATOM 540 O LYS A 35 2.392 7.299 -4.775 1.00 0.47 O ATOM 541 CB LYS A 35 3.792 9.338 -7.065 1.00 0.59 C ATOM 542 CG LYS A 35 3.809 10.642 -7.851 1.00 0.92 C ATOM 543 CD LYS A 35 3.424 10.422 -9.305 1.00 1.10 C ATOM 544 CE LYS A 35 2.556 11.554 -9.831 1.00 1.08 C ATOM 545 NZ LYS A 35 2.866 11.884 -11.248 1.00 1.27 N ATOM 0 H LYS A 35 2.993 9.819 -4.554 1.00 0.50 H new ATOM 0 HA LYS A 35 1.657 9.227 -7.144 1.00 0.49 H new ATOM 0 HB2 LYS A 35 4.560 9.378 -6.293 1.00 0.59 H new ATOM 0 HB3 LYS A 35 4.053 8.517 -7.732 1.00 0.59 H new ATOM 0 HG2 LYS A 35 3.119 11.352 -7.395 1.00 0.92 H new ATOM 0 HG3 LYS A 35 4.803 11.086 -7.800 1.00 0.92 H new ATOM 0 HD2 LYS A 35 4.325 10.341 -9.913 1.00 1.10 H new ATOM 0 HD3 LYS A 35 2.889 9.477 -9.401 1.00 1.10 H new ATOM 0 HE2 LYS A 35 1.506 11.275 -9.746 1.00 1.08 H new ATOM 0 HE3 LYS A 35 2.702 12.440 -9.213 1.00 1.08 H new ATOM 0 HZ1 LYS A 35 2.252 12.660 -11.566 1.00 1.27 H new ATOM 0 HZ2 LYS A 35 3.861 12.175 -11.327 1.00 1.27 H new ATOM 0 HZ3 LYS A 35 2.702 11.047 -11.843 1.00 1.27 H new ATOM 559 N ARG A 36 2.213 6.659 -6.910 1.00 0.52 N ATOM 560 CA ARG A 36 2.050 5.250 -6.558 1.00 0.53 C ATOM 561 C ARG A 36 2.855 4.331 -7.477 1.00 0.56 C ATOM 562 O ARG A 36 3.023 4.609 -8.668 1.00 0.76 O ATOM 563 CB ARG A 36 0.566 4.867 -6.586 1.00 0.64 C ATOM 564 CG ARG A 36 -0.012 4.732 -7.985 1.00 1.17 C ATOM 565 CD ARG A 36 -0.910 5.908 -8.337 1.00 1.51 C ATOM 566 NE ARG A 36 -0.338 6.736 -9.399 1.00 2.02 N ATOM 567 CZ ARG A 36 -0.591 8.036 -9.550 1.00 2.75 C ATOM 568 NH1 ARG A 36 -1.392 8.668 -8.699 1.00 2.99 N ATOM 569 NH2 ARG A 36 -0.034 8.707 -10.549 1.00 3.65 N ATOM 0 H ARG A 36 2.201 6.854 -7.911 1.00 0.52 H new ATOM 0 HA ARG A 36 2.437 5.117 -5.548 1.00 0.53 H new ATOM 0 HB2 ARG A 36 0.435 3.923 -6.057 1.00 0.64 H new ATOM 0 HB3 ARG A 36 -0.003 5.619 -6.040 1.00 0.64 H new ATOM 0 HG2 ARG A 36 0.800 4.664 -8.709 1.00 1.17 H new ATOM 0 HG3 ARG A 36 -0.581 3.805 -8.056 1.00 1.17 H new ATOM 0 HD2 ARG A 36 -1.886 5.538 -8.652 1.00 1.51 H new ATOM 0 HD3 ARG A 36 -1.072 6.519 -7.449 1.00 1.51 H new ATOM 0 HE ARG A 36 0.293 6.291 -10.065 1.00 2.02 H new ATOM 0 HH11 ARG A 36 -1.817 8.158 -7.925 1.00 2.99 H new ATOM 0 HH12 ARG A 36 -1.582 9.663 -8.820 1.00 2.99 H new ATOM 0 HH21 ARG A 36 0.587 8.228 -11.201 1.00 3.65 H new ATOM 0 HH22 ARG A 36 -0.227 9.702 -10.665 1.00 3.65 H new ATOM 583 N VAL A 37 3.306 3.213 -6.921 1.00 0.49 N ATOM 584 CA VAL A 37 4.033 2.202 -7.677 1.00 0.56 C ATOM 585 C VAL A 37 3.542 0.810 -7.291 1.00 0.53 C ATOM 586 O VAL A 37 3.191 0.567 -6.132 1.00 0.55 O ATOM 587 CB VAL A 37 5.562 2.277 -7.442 1.00 0.69 C ATOM 588 CG1 VAL A 37 6.145 3.553 -8.035 1.00 1.04 C ATOM 589 CG2 VAL A 37 5.892 2.176 -5.960 1.00 1.26 C ATOM 0 H VAL A 37 3.178 2.983 -5.936 1.00 0.49 H new ATOM 0 HA VAL A 37 3.843 2.396 -8.733 1.00 0.56 H new ATOM 0 HB VAL A 37 6.017 1.427 -7.951 1.00 0.69 H new ATOM 0 HG11 VAL A 37 7.220 3.580 -7.856 1.00 1.04 H new ATOM 0 HG12 VAL A 37 5.956 3.575 -9.108 1.00 1.04 H new ATOM 0 HG13 VAL A 37 5.677 4.419 -7.566 1.00 1.04 H new ATOM 0 HG21 VAL A 37 6.972 2.231 -5.823 1.00 1.26 H new ATOM 0 HG22 VAL A 37 5.416 2.997 -5.424 1.00 1.26 H new ATOM 0 HG23 VAL A 37 5.525 1.227 -5.569 1.00 1.26 H new ATOM 599 N ASN A 38 3.581 -0.115 -8.238 1.00 0.55 N ATOM 600 CA ASN A 38 3.238 -1.502 -7.961 1.00 0.56 C ATOM 601 C ASN A 38 4.504 -2.338 -8.000 1.00 0.49 C ATOM 602 O ASN A 38 5.143 -2.451 -9.046 1.00 0.57 O ATOM 603 CB ASN A 38 2.222 -2.037 -8.974 1.00 0.74 C ATOM 604 CG ASN A 38 1.616 -3.362 -8.541 1.00 0.81 C ATOM 605 OD1 ASN A 38 2.293 -4.392 -8.508 1.00 1.53 O ATOM 606 ND2 ASN A 38 0.334 -3.346 -8.216 1.00 1.00 N ATOM 0 H ASN A 38 3.847 0.070 -9.205 1.00 0.55 H new ATOM 0 HA ASN A 38 2.781 -1.561 -6.973 1.00 0.56 H new ATOM 0 HB2 ASN A 38 1.427 -1.304 -9.109 1.00 0.74 H new ATOM 0 HB3 ASN A 38 2.708 -2.162 -9.941 1.00 0.74 H new ATOM 0 HD21 ASN A 38 -0.129 -4.207 -7.925 1.00 1.00 H new ATOM 0 HD22 ASN A 38 -0.191 -2.473 -8.256 1.00 1.00 H new ATOM 613 N VAL A 39 4.922 -2.825 -6.845 1.00 0.41 N ATOM 614 CA VAL A 39 6.195 -3.519 -6.731 1.00 0.44 C ATOM 615 C VAL A 39 6.002 -5.022 -6.635 1.00 0.42 C ATOM 616 O VAL A 39 5.023 -5.501 -6.060 1.00 0.48 O ATOM 617 CB VAL A 39 6.994 -3.042 -5.498 1.00 0.61 C ATOM 618 CG1 VAL A 39 8.483 -3.265 -5.706 1.00 1.24 C ATOM 619 CG2 VAL A 39 6.709 -1.577 -5.199 1.00 0.63 C ATOM 0 H VAL A 39 4.399 -2.753 -5.972 1.00 0.41 H new ATOM 0 HA VAL A 39 6.756 -3.283 -7.636 1.00 0.44 H new ATOM 0 HB VAL A 39 6.674 -3.632 -4.639 1.00 0.61 H new ATOM 0 HG11 VAL A 39 9.029 -2.923 -4.827 1.00 1.24 H new ATOM 0 HG12 VAL A 39 8.674 -4.327 -5.861 1.00 1.24 H new ATOM 0 HG13 VAL A 39 8.816 -2.705 -6.580 1.00 1.24 H new ATOM 0 HG21 VAL A 39 7.283 -1.265 -4.327 1.00 0.63 H new ATOM 0 HG22 VAL A 39 6.994 -0.968 -6.057 1.00 0.63 H new ATOM 0 HG23 VAL A 39 5.646 -1.447 -4.999 1.00 0.63 H new ATOM 629 N ASN A 40 6.970 -5.757 -7.159 1.00 0.46 N ATOM 630 CA ASN A 40 6.955 -7.208 -7.094 1.00 0.51 C ATOM 631 C ASN A 40 7.933 -7.679 -6.027 1.00 0.44 C ATOM 632 O ASN A 40 9.142 -7.471 -6.144 1.00 0.56 O ATOM 633 CB ASN A 40 7.328 -7.808 -8.454 1.00 0.67 C ATOM 634 CG ASN A 40 7.577 -9.304 -8.389 1.00 1.45 C ATOM 635 OD1 ASN A 40 6.720 -10.071 -7.955 1.00 2.02 O ATOM 636 ND2 ASN A 40 8.750 -9.728 -8.827 1.00 2.13 N ATOM 0 H ASN A 40 7.782 -5.367 -7.638 1.00 0.46 H new ATOM 0 HA ASN A 40 5.950 -7.542 -6.835 1.00 0.51 H new ATOM 0 HB2 ASN A 40 6.527 -7.608 -9.166 1.00 0.67 H new ATOM 0 HB3 ASN A 40 8.222 -7.312 -8.832 1.00 0.67 H new ATOM 0 HD21 ASN A 40 8.970 -10.724 -8.812 1.00 2.13 H new ATOM 0 HD22 ASN A 40 9.435 -9.059 -9.180 1.00 2.13 H new ATOM 643 N PHE A 41 7.401 -8.245 -4.960 1.00 0.40 N ATOM 644 CA PHE A 41 8.213 -8.694 -3.848 1.00 0.45 C ATOM 645 C PHE A 41 8.337 -10.206 -3.852 1.00 0.45 C ATOM 646 O PHE A 41 7.338 -10.921 -3.943 1.00 0.56 O ATOM 647 CB PHE A 41 7.602 -8.239 -2.522 1.00 0.62 C ATOM 648 CG PHE A 41 7.714 -6.761 -2.274 1.00 0.54 C ATOM 649 CD1 PHE A 41 8.942 -6.188 -1.992 1.00 0.98 C ATOM 650 CD2 PHE A 41 6.595 -5.947 -2.338 1.00 1.14 C ATOM 651 CE1 PHE A 41 9.055 -4.828 -1.779 1.00 1.10 C ATOM 652 CE2 PHE A 41 6.701 -4.589 -2.122 1.00 1.16 C ATOM 653 CZ PHE A 41 7.908 -4.036 -1.783 1.00 0.75 C ATOM 0 H PHE A 41 6.401 -8.405 -4.841 1.00 0.40 H new ATOM 0 HA PHE A 41 9.205 -8.255 -3.957 1.00 0.45 H new ATOM 0 HB2 PHE A 41 6.550 -8.522 -2.502 1.00 0.62 H new ATOM 0 HB3 PHE A 41 8.091 -8.772 -1.706 1.00 0.62 H new ATOM 0 HD1 PHE A 41 9.822 -6.812 -1.938 1.00 0.98 H new ATOM 0 HD2 PHE A 41 5.631 -6.380 -2.559 1.00 1.14 H new ATOM 0 HE1 PHE A 41 10.024 -4.382 -1.611 1.00 1.10 H new ATOM 0 HE2 PHE A 41 5.829 -3.959 -2.220 1.00 1.16 H new ATOM 0 HZ PHE A 41 7.970 -2.990 -1.520 1.00 0.75 H new ATOM 663 N ASP A 42 9.559 -10.682 -3.702 1.00 0.45 N ATOM 664 CA ASP A 42 9.814 -12.110 -3.607 1.00 0.47 C ATOM 665 C ASP A 42 9.415 -12.613 -2.221 1.00 0.40 C ATOM 666 O ASP A 42 9.168 -11.813 -1.313 1.00 0.35 O ATOM 667 CB ASP A 42 11.291 -12.408 -3.916 1.00 0.62 C ATOM 668 CG ASP A 42 12.085 -12.894 -2.717 1.00 0.70 C ATOM 669 OD1 ASP A 42 12.633 -12.052 -1.981 1.00 1.38 O ATOM 670 OD2 ASP A 42 12.184 -14.124 -2.520 1.00 1.35 O ATOM 0 H ASP A 42 10.394 -10.100 -3.643 1.00 0.45 H new ATOM 0 HA ASP A 42 9.211 -12.639 -4.345 1.00 0.47 H new ATOM 0 HB2 ASP A 42 11.343 -13.161 -4.703 1.00 0.62 H new ATOM 0 HB3 ASP A 42 11.759 -11.505 -4.308 1.00 0.62 H new ATOM 675 N GLU A 43 9.243 -13.925 -2.098 1.00 0.46 N ATOM 676 CA GLU A 43 8.770 -14.532 -0.859 1.00 0.48 C ATOM 677 C GLU A 43 9.678 -14.191 0.316 1.00 0.40 C ATOM 678 O GLU A 43 9.191 -13.917 1.413 1.00 0.42 O ATOM 679 CB GLU A 43 8.656 -16.048 -1.015 1.00 0.65 C ATOM 680 CG GLU A 43 7.243 -16.515 -1.320 1.00 1.08 C ATOM 681 CD GLU A 43 6.292 -16.281 -0.164 1.00 1.04 C ATOM 682 OE1 GLU A 43 5.758 -15.160 -0.048 1.00 1.28 O ATOM 683 OE2 GLU A 43 6.083 -17.210 0.640 1.00 1.45 O ATOM 0 H GLU A 43 9.426 -14.593 -2.847 1.00 0.46 H new ATOM 0 HA GLU A 43 7.783 -14.121 -0.648 1.00 0.48 H new ATOM 0 HB2 GLU A 43 9.320 -16.375 -1.815 1.00 0.65 H new ATOM 0 HB3 GLU A 43 9.000 -16.528 -0.099 1.00 0.65 H new ATOM 0 HG2 GLU A 43 6.873 -15.992 -2.202 1.00 1.08 H new ATOM 0 HG3 GLU A 43 7.260 -17.577 -1.563 1.00 1.08 H new ATOM 690 N GLU A 44 10.981 -14.122 0.067 1.00 0.38 N ATOM 691 CA GLU A 44 11.937 -13.735 1.101 1.00 0.42 C ATOM 692 C GLU A 44 11.614 -12.342 1.619 1.00 0.37 C ATOM 693 O GLU A 44 11.495 -12.122 2.831 1.00 0.43 O ATOM 694 CB GLU A 44 13.361 -13.758 0.550 1.00 0.52 C ATOM 695 CG GLU A 44 14.143 -15.005 0.925 1.00 0.60 C ATOM 696 CD GLU A 44 14.336 -15.147 2.419 1.00 1.56 C ATOM 697 OE1 GLU A 44 14.933 -14.238 3.033 1.00 2.19 O ATOM 698 OE2 GLU A 44 13.889 -16.163 2.987 1.00 2.34 O ATOM 0 H GLU A 44 11.400 -14.328 -0.840 1.00 0.38 H new ATOM 0 HA GLU A 44 11.863 -14.450 1.920 1.00 0.42 H new ATOM 0 HB2 GLU A 44 13.322 -13.678 -0.536 1.00 0.52 H new ATOM 0 HB3 GLU A 44 13.896 -12.881 0.915 1.00 0.52 H new ATOM 0 HG2 GLU A 44 13.622 -15.884 0.545 1.00 0.60 H new ATOM 0 HG3 GLU A 44 15.118 -14.978 0.438 1.00 0.60 H new ATOM 705 N LYS A 45 11.442 -11.416 0.685 1.00 0.32 N ATOM 706 CA LYS A 45 11.092 -10.046 1.014 1.00 0.35 C ATOM 707 C LYS A 45 9.775 -9.993 1.770 1.00 0.30 C ATOM 708 O LYS A 45 9.671 -9.349 2.806 1.00 0.35 O ATOM 709 CB LYS A 45 10.952 -9.200 -0.256 1.00 0.39 C ATOM 710 CG LYS A 45 12.180 -9.209 -1.138 1.00 0.56 C ATOM 711 CD LYS A 45 12.607 -7.801 -1.504 1.00 0.68 C ATOM 712 CE LYS A 45 14.045 -7.545 -1.105 1.00 1.04 C ATOM 713 NZ LYS A 45 14.995 -8.051 -2.130 1.00 1.09 N ATOM 0 H LYS A 45 11.541 -11.594 -0.314 1.00 0.32 H new ATOM 0 HA LYS A 45 11.893 -9.648 1.637 1.00 0.35 H new ATOM 0 HB2 LYS A 45 10.101 -9.565 -0.831 1.00 0.39 H new ATOM 0 HB3 LYS A 45 10.728 -8.172 0.027 1.00 0.39 H new ATOM 0 HG2 LYS A 45 12.996 -9.716 -0.623 1.00 0.56 H new ATOM 0 HG3 LYS A 45 11.974 -9.776 -2.046 1.00 0.56 H new ATOM 0 HD2 LYS A 45 12.492 -7.651 -2.577 1.00 0.68 H new ATOM 0 HD3 LYS A 45 11.956 -7.080 -1.010 1.00 0.68 H new ATOM 0 HE2 LYS A 45 14.199 -6.475 -0.962 1.00 1.04 H new ATOM 0 HE3 LYS A 45 14.249 -8.027 -0.149 1.00 1.04 H new ATOM 0 HZ1 LYS A 45 15.957 -8.062 -1.736 1.00 1.09 H new ATOM 0 HZ2 LYS A 45 14.724 -9.016 -2.409 1.00 1.09 H new ATOM 0 HZ3 LYS A 45 14.970 -7.430 -2.964 1.00 1.09 H new ATOM 727 N HIS A 46 8.749 -10.588 1.177 1.00 0.28 N ATOM 728 CA HIS A 46 7.393 -10.489 1.703 1.00 0.31 C ATOM 729 C HIS A 46 7.258 -11.137 3.078 1.00 0.32 C ATOM 730 O HIS A 46 6.577 -10.598 3.950 1.00 0.34 O ATOM 731 CB HIS A 46 6.394 -11.111 0.729 1.00 0.38 C ATOM 732 CG HIS A 46 5.040 -10.471 0.767 1.00 0.43 C ATOM 733 ND1 HIS A 46 3.891 -11.172 1.053 1.00 0.58 N ATOM 734 CD2 HIS A 46 4.650 -9.194 0.541 1.00 0.47 C ATOM 735 CE1 HIS A 46 2.855 -10.359 1.001 1.00 0.64 C ATOM 736 NE2 HIS A 46 3.288 -9.154 0.693 1.00 0.58 N ATOM 0 H HIS A 46 8.830 -11.147 0.328 1.00 0.28 H new ATOM 0 HA HIS A 46 7.172 -9.428 1.818 1.00 0.31 H new ATOM 0 HB2 HIS A 46 6.793 -11.038 -0.283 1.00 0.38 H new ATOM 0 HB3 HIS A 46 6.291 -12.172 0.956 1.00 0.38 H new ATOM 0 HD2 HIS A 46 5.292 -8.363 0.288 1.00 0.47 H new ATOM 0 HE1 HIS A 46 1.826 -10.634 1.180 1.00 0.64 H new ATOM 0 HE2 HIS A 46 2.704 -8.325 0.585 1.00 0.58 H new ATOM 745 N THR A 47 7.890 -12.287 3.272 1.00 0.33 N ATOM 746 CA THR A 47 7.804 -12.982 4.550 1.00 0.40 C ATOM 747 C THR A 47 8.448 -12.160 5.661 1.00 0.39 C ATOM 748 O THR A 47 7.827 -11.918 6.698 1.00 0.43 O ATOM 749 CB THR A 47 8.456 -14.377 4.493 1.00 0.47 C ATOM 750 OG1 THR A 47 7.953 -15.096 3.363 1.00 0.72 O ATOM 751 CG2 THR A 47 8.176 -15.165 5.764 1.00 0.60 C ATOM 0 H THR A 47 8.462 -12.755 2.569 1.00 0.33 H new ATOM 0 HA THR A 47 6.744 -13.112 4.767 1.00 0.40 H new ATOM 0 HB THR A 47 9.534 -14.247 4.400 1.00 0.47 H new ATOM 0 HG1 THR A 47 8.590 -15.028 2.622 1.00 0.72 H new ATOM 0 HG21 THR A 47 8.648 -16.145 5.696 1.00 0.60 H new ATOM 0 HG22 THR A 47 8.579 -14.627 6.622 1.00 0.60 H new ATOM 0 HG23 THR A 47 7.100 -15.288 5.886 1.00 0.60 H new ATOM 759 N ARG A 48 9.655 -11.661 5.407 1.00 0.35 N ATOM 760 CA ARG A 48 10.343 -10.817 6.377 1.00 0.38 C ATOM 761 C ARG A 48 9.602 -9.500 6.553 1.00 0.34 C ATOM 762 O ARG A 48 9.485 -8.991 7.663 1.00 0.38 O ATOM 763 CB ARG A 48 11.778 -10.551 5.938 1.00 0.42 C ATOM 764 CG ARG A 48 12.667 -10.003 7.041 1.00 0.73 C ATOM 765 CD ARG A 48 13.075 -11.093 8.015 1.00 0.80 C ATOM 766 NE ARG A 48 13.993 -12.057 7.411 1.00 0.90 N ATOM 767 CZ ARG A 48 14.449 -13.147 8.033 1.00 1.43 C ATOM 768 NH1 ARG A 48 14.002 -13.461 9.244 1.00 1.83 N ATOM 769 NH2 ARG A 48 15.331 -13.933 7.430 1.00 1.87 N ATOM 0 H ARG A 48 10.173 -11.825 4.544 1.00 0.35 H new ATOM 0 HA ARG A 48 10.363 -11.343 7.332 1.00 0.38 H new ATOM 0 HB2 ARG A 48 12.211 -11.478 5.563 1.00 0.42 H new ATOM 0 HB3 ARG A 48 11.769 -9.845 5.108 1.00 0.42 H new ATOM 0 HG2 ARG A 48 13.557 -9.552 6.603 1.00 0.73 H new ATOM 0 HG3 ARG A 48 12.140 -9.213 7.576 1.00 0.73 H new ATOM 0 HD2 ARG A 48 13.548 -10.641 8.887 1.00 0.80 H new ATOM 0 HD3 ARG A 48 12.185 -11.614 8.369 1.00 0.80 H new ATOM 0 HE ARG A 48 14.305 -11.886 6.455 1.00 0.90 H new ATOM 0 HH11 ARG A 48 13.309 -12.869 9.701 1.00 1.83 H new ATOM 0 HH12 ARG A 48 14.352 -14.294 9.717 1.00 1.83 H new ATOM 0 HH21 ARG A 48 15.660 -13.705 6.492 1.00 1.87 H new ATOM 0 HH22 ARG A 48 15.680 -14.766 7.904 1.00 1.87 H new ATOM 783 N PHE A 49 9.084 -8.976 5.449 1.00 0.32 N ATOM 784 CA PHE A 49 8.303 -7.742 5.461 1.00 0.32 C ATOM 785 C PHE A 49 7.175 -7.833 6.475 1.00 0.36 C ATOM 786 O PHE A 49 7.055 -7.001 7.374 1.00 0.39 O ATOM 787 CB PHE A 49 7.707 -7.493 4.073 1.00 0.33 C ATOM 788 CG PHE A 49 8.006 -6.138 3.501 1.00 0.39 C ATOM 789 CD1 PHE A 49 9.235 -5.538 3.703 1.00 0.85 C ATOM 790 CD2 PHE A 49 7.053 -5.471 2.751 1.00 0.85 C ATOM 791 CE1 PHE A 49 9.508 -4.294 3.173 1.00 0.94 C ATOM 792 CE2 PHE A 49 7.318 -4.227 2.219 1.00 0.92 C ATOM 793 CZ PHE A 49 8.548 -3.637 2.428 1.00 0.67 C ATOM 0 H PHE A 49 9.192 -9.391 4.523 1.00 0.32 H new ATOM 0 HA PHE A 49 8.964 -6.920 5.735 1.00 0.32 H new ATOM 0 HB2 PHE A 49 8.083 -8.253 3.388 1.00 0.33 H new ATOM 0 HB3 PHE A 49 6.626 -7.620 4.128 1.00 0.33 H new ATOM 0 HD1 PHE A 49 9.990 -6.049 4.282 1.00 0.85 H new ATOM 0 HD2 PHE A 49 6.091 -5.930 2.581 1.00 0.85 H new ATOM 0 HE1 PHE A 49 10.471 -3.834 3.340 1.00 0.94 H new ATOM 0 HE2 PHE A 49 6.564 -3.715 1.640 1.00 0.92 H new ATOM 0 HZ PHE A 49 8.760 -2.664 2.010 1.00 0.67 H new ATOM 803 N LYS A 50 6.360 -8.863 6.319 1.00 0.39 N ATOM 804 CA LYS A 50 5.218 -9.081 7.187 1.00 0.45 C ATOM 805 C LYS A 50 5.660 -9.424 8.609 1.00 0.42 C ATOM 806 O LYS A 50 5.116 -8.891 9.577 1.00 0.42 O ATOM 807 CB LYS A 50 4.345 -10.202 6.623 1.00 0.54 C ATOM 808 CG LYS A 50 3.717 -9.869 5.278 1.00 0.93 C ATOM 809 CD LYS A 50 2.307 -9.330 5.437 1.00 1.47 C ATOM 810 CE LYS A 50 1.265 -10.392 5.131 1.00 1.37 C ATOM 811 NZ LYS A 50 -0.046 -10.075 5.752 1.00 2.17 N ATOM 0 H LYS A 50 6.472 -9.568 5.590 1.00 0.39 H new ATOM 0 HA LYS A 50 4.640 -8.158 7.229 1.00 0.45 H new ATOM 0 HB2 LYS A 50 4.949 -11.104 6.519 1.00 0.54 H new ATOM 0 HB3 LYS A 50 3.554 -10.429 7.337 1.00 0.54 H new ATOM 0 HG2 LYS A 50 4.332 -9.133 4.761 1.00 0.93 H new ATOM 0 HG3 LYS A 50 3.697 -10.762 4.654 1.00 0.93 H new ATOM 0 HD2 LYS A 50 2.169 -8.966 6.455 1.00 1.47 H new ATOM 0 HD3 LYS A 50 2.165 -8.478 4.772 1.00 1.47 H new ATOM 0 HE2 LYS A 50 1.143 -10.481 4.051 1.00 1.37 H new ATOM 0 HE3 LYS A 50 1.614 -11.359 5.493 1.00 1.37 H new ATOM 0 HZ1 LYS A 50 -0.730 -10.823 5.520 1.00 2.17 H new ATOM 0 HZ2 LYS A 50 0.064 -10.015 6.784 1.00 2.17 H new ATOM 0 HZ3 LYS A 50 -0.392 -9.165 5.387 1.00 2.17 H new ATOM 825 N ALA A 51 6.631 -10.323 8.724 1.00 0.43 N ATOM 826 CA ALA A 51 7.119 -10.770 10.028 1.00 0.46 C ATOM 827 C ALA A 51 7.691 -9.615 10.842 1.00 0.44 C ATOM 828 O ALA A 51 7.331 -9.430 12.008 1.00 0.47 O ATOM 829 CB ALA A 51 8.166 -11.863 9.861 1.00 0.53 C ATOM 0 H ALA A 51 7.098 -10.759 7.929 1.00 0.43 H new ATOM 0 HA ALA A 51 6.267 -11.174 10.574 1.00 0.46 H new ATOM 0 HB1 ALA A 51 8.518 -12.183 10.842 1.00 0.53 H new ATOM 0 HB2 ALA A 51 7.725 -12.712 9.339 1.00 0.53 H new ATOM 0 HB3 ALA A 51 9.006 -11.477 9.283 1.00 0.53 H new ATOM 835 N ALA A 52 8.574 -8.840 10.228 1.00 0.46 N ATOM 836 CA ALA A 52 9.201 -7.716 10.906 1.00 0.53 C ATOM 837 C ALA A 52 8.170 -6.652 11.280 1.00 0.53 C ATOM 838 O ALA A 52 8.134 -6.194 12.422 1.00 0.65 O ATOM 839 CB ALA A 52 10.294 -7.114 10.043 1.00 0.58 C ATOM 0 H ALA A 52 8.872 -8.970 9.261 1.00 0.46 H new ATOM 0 HA ALA A 52 9.650 -8.089 11.826 1.00 0.53 H new ATOM 0 HB1 ALA A 52 10.751 -6.275 10.567 1.00 0.58 H new ATOM 0 HB2 ALA A 52 11.052 -7.869 9.837 1.00 0.58 H new ATOM 0 HB3 ALA A 52 9.865 -6.765 9.104 1.00 0.58 H new ATOM 845 N CYS A 53 7.337 -6.265 10.317 1.00 0.48 N ATOM 846 CA CYS A 53 6.329 -5.232 10.540 1.00 0.56 C ATOM 847 C CYS A 53 5.389 -5.613 11.682 1.00 0.49 C ATOM 848 O CYS A 53 5.093 -4.792 12.550 1.00 0.53 O ATOM 849 CB CYS A 53 5.546 -4.967 9.246 1.00 0.68 C ATOM 850 SG CYS A 53 4.154 -6.084 8.934 1.00 1.29 S ATOM 0 H CYS A 53 7.340 -6.652 9.373 1.00 0.48 H new ATOM 0 HA CYS A 53 6.839 -4.313 10.830 1.00 0.56 H new ATOM 0 HB2 CYS A 53 5.170 -3.944 9.273 1.00 0.68 H new ATOM 0 HB3 CYS A 53 6.236 -5.031 8.405 1.00 0.68 H new ATOM 0 HG CYS A 53 4.499 -7.301 9.233 1.00 1.29 H new ATOM 856 N ALA A 54 4.975 -6.874 11.711 1.00 0.45 N ATOM 857 CA ALA A 54 4.082 -7.367 12.755 1.00 0.52 C ATOM 858 C ALA A 54 4.765 -7.358 14.118 1.00 0.53 C ATOM 859 O ALA A 54 4.128 -7.110 15.141 1.00 0.63 O ATOM 860 CB ALA A 54 3.594 -8.767 12.418 1.00 0.63 C ATOM 0 H ALA A 54 5.244 -7.576 11.022 1.00 0.45 H new ATOM 0 HA ALA A 54 3.224 -6.697 12.805 1.00 0.52 H new ATOM 0 HB1 ALA A 54 2.929 -9.120 13.206 1.00 0.63 H new ATOM 0 HB2 ALA A 54 3.055 -8.746 11.471 1.00 0.63 H new ATOM 0 HB3 ALA A 54 4.448 -9.440 12.335 1.00 0.63 H new ATOM 866 N ARG A 55 6.066 -7.613 14.125 1.00 0.53 N ATOM 867 CA ARG A 55 6.831 -7.634 15.365 1.00 0.66 C ATOM 868 C ARG A 55 7.100 -6.221 15.872 1.00 0.65 C ATOM 869 O ARG A 55 7.085 -5.970 17.078 1.00 0.75 O ATOM 870 CB ARG A 55 8.151 -8.374 15.160 1.00 0.77 C ATOM 871 CG ARG A 55 8.106 -9.814 15.634 1.00 1.38 C ATOM 872 CD ARG A 55 8.883 -10.736 14.708 1.00 1.87 C ATOM 873 NE ARG A 55 9.021 -12.074 15.277 1.00 2.37 N ATOM 874 CZ ARG A 55 9.903 -12.390 16.220 1.00 2.79 C ATOM 875 NH1 ARG A 55 10.832 -11.514 16.583 1.00 2.91 N ATOM 876 NH2 ARG A 55 9.877 -13.594 16.769 1.00 3.58 N ATOM 0 H ARG A 55 6.614 -7.808 13.287 1.00 0.53 H new ATOM 0 HA ARG A 55 6.239 -8.158 16.115 1.00 0.66 H new ATOM 0 HB2 ARG A 55 8.411 -8.354 14.102 1.00 0.77 H new ATOM 0 HB3 ARG A 55 8.943 -7.847 15.693 1.00 0.77 H new ATOM 0 HG2 ARG A 55 8.518 -9.879 16.641 1.00 1.38 H new ATOM 0 HG3 ARG A 55 7.069 -10.146 15.692 1.00 1.38 H new ATOM 0 HD2 ARG A 55 8.375 -10.799 13.746 1.00 1.87 H new ATOM 0 HD3 ARG A 55 9.871 -10.316 14.520 1.00 1.87 H new ATOM 0 HE ARG A 55 8.404 -12.809 14.931 1.00 2.37 H new ATOM 0 HH11 ARG A 55 10.870 -10.597 16.138 1.00 2.91 H new ATOM 0 HH12 ARG A 55 11.508 -11.758 17.307 1.00 2.91 H new ATOM 0 HH21 ARG A 55 9.181 -14.277 16.468 1.00 3.58 H new ATOM 0 HH22 ARG A 55 10.553 -13.839 17.493 1.00 3.58 H new ATOM 890 N LYS A 56 7.382 -5.312 14.949 1.00 0.59 N ATOM 891 CA LYS A 56 7.703 -3.934 15.299 1.00 0.64 C ATOM 892 C LYS A 56 6.436 -3.134 15.591 1.00 0.54 C ATOM 893 O LYS A 56 6.483 -2.096 16.248 1.00 0.67 O ATOM 894 CB LYS A 56 8.482 -3.266 14.163 1.00 0.71 C ATOM 895 CG LYS A 56 9.879 -3.832 13.955 1.00 1.15 C ATOM 896 CD LYS A 56 10.327 -3.679 12.511 1.00 1.46 C ATOM 897 CE LYS A 56 11.736 -3.118 12.418 1.00 2.01 C ATOM 898 NZ LYS A 56 11.762 -1.641 12.598 1.00 2.32 N ATOM 0 H LYS A 56 7.395 -5.505 13.947 1.00 0.59 H new ATOM 0 HA LYS A 56 8.319 -3.951 16.198 1.00 0.64 H new ATOM 0 HB2 LYS A 56 7.917 -3.372 13.237 1.00 0.71 H new ATOM 0 HB3 LYS A 56 8.560 -2.198 14.368 1.00 0.71 H new ATOM 0 HG2 LYS A 56 10.582 -3.321 14.612 1.00 1.15 H new ATOM 0 HG3 LYS A 56 9.892 -4.886 14.232 1.00 1.15 H new ATOM 0 HD2 LYS A 56 10.287 -4.648 12.013 1.00 1.46 H new ATOM 0 HD3 LYS A 56 9.637 -3.020 11.983 1.00 1.46 H new ATOM 0 HE2 LYS A 56 12.363 -3.587 13.176 1.00 2.01 H new ATOM 0 HE3 LYS A 56 12.164 -3.372 11.448 1.00 2.01 H new ATOM 0 HZ1 LYS A 56 12.742 -1.300 12.527 1.00 2.32 H new ATOM 0 HZ2 LYS A 56 11.185 -1.191 11.859 1.00 2.32 H new ATOM 0 HZ3 LYS A 56 11.378 -1.398 13.533 1.00 2.32 H new ATOM 912 N GLY A 57 5.318 -3.599 15.057 1.00 0.48 N ATOM 913 CA GLY A 57 4.068 -2.885 15.222 1.00 0.47 C ATOM 914 C GLY A 57 3.862 -1.863 14.124 1.00 0.51 C ATOM 915 O GLY A 57 3.161 -0.863 14.308 1.00 0.58 O ATOM 0 H GLY A 57 5.253 -4.459 14.512 1.00 0.48 H new ATOM 0 HA2 GLY A 57 3.240 -3.594 15.220 1.00 0.47 H new ATOM 0 HA3 GLY A 57 4.058 -2.386 16.191 1.00 0.47 H new ATOM 919 N THR A 58 4.494 -2.110 12.989 1.00 0.59 N ATOM 920 CA THR A 58 4.433 -1.210 11.852 1.00 0.73 C ATOM 921 C THR A 58 3.401 -1.673 10.830 1.00 0.56 C ATOM 922 O THR A 58 3.283 -2.867 10.550 1.00 0.53 O ATOM 923 CB THR A 58 5.808 -1.134 11.164 1.00 1.06 C ATOM 924 OG1 THR A 58 6.846 -1.366 12.125 1.00 2.01 O ATOM 925 CG2 THR A 58 6.022 0.215 10.505 1.00 0.61 C ATOM 0 H THR A 58 5.064 -2.941 12.831 1.00 0.59 H new ATOM 0 HA THR A 58 4.143 -0.228 12.227 1.00 0.73 H new ATOM 0 HB THR A 58 5.840 -1.902 10.391 1.00 1.06 H new ATOM 0 HG1 THR A 58 7.719 -1.318 11.682 1.00 2.01 H new ATOM 0 HG21 THR A 58 7.002 0.236 10.028 1.00 0.61 H new ATOM 0 HG22 THR A 58 5.250 0.380 9.754 1.00 0.61 H new ATOM 0 HG23 THR A 58 5.968 1.001 11.259 1.00 0.61 H new ATOM 933 N SER A 59 2.740 -0.720 10.192 1.00 0.55 N ATOM 934 CA SER A 59 1.842 -1.025 9.094 1.00 0.50 C ATOM 935 C SER A 59 2.658 -1.267 7.830 1.00 0.44 C ATOM 936 O SER A 59 3.647 -0.574 7.595 1.00 0.43 O ATOM 937 CB SER A 59 0.855 0.123 8.882 1.00 0.61 C ATOM 938 OG SER A 59 0.540 0.760 10.109 1.00 0.72 O ATOM 0 H SER A 59 2.810 0.272 10.418 1.00 0.55 H new ATOM 0 HA SER A 59 1.272 -1.924 9.331 1.00 0.50 H new ATOM 0 HB2 SER A 59 1.281 0.850 8.191 1.00 0.61 H new ATOM 0 HB3 SER A 59 -0.057 -0.258 8.422 1.00 0.61 H new ATOM 0 HG SER A 59 -0.091 1.491 9.945 1.00 0.72 H new ATOM 944 N ILE A 60 2.303 -2.303 7.079 1.00 0.46 N ATOM 945 CA ILE A 60 3.069 -2.708 5.899 1.00 0.50 C ATOM 946 C ILE A 60 3.296 -1.538 4.934 1.00 0.47 C ATOM 947 O ILE A 60 4.400 -1.343 4.432 1.00 0.50 O ATOM 948 CB ILE A 60 2.381 -3.884 5.159 1.00 0.61 C ATOM 949 CG1 ILE A 60 3.176 -4.280 3.912 1.00 0.99 C ATOM 950 CG2 ILE A 60 0.945 -3.540 4.790 1.00 1.01 C ATOM 951 CD1 ILE A 60 3.596 -5.735 3.898 1.00 0.96 C ATOM 0 H ILE A 60 1.485 -2.883 7.265 1.00 0.46 H new ATOM 0 HA ILE A 60 4.043 -3.042 6.256 1.00 0.50 H new ATOM 0 HB ILE A 60 2.358 -4.736 5.839 1.00 0.61 H new ATOM 0 HG12 ILE A 60 2.573 -4.076 3.027 1.00 0.99 H new ATOM 0 HG13 ILE A 60 4.065 -3.653 3.844 1.00 0.99 H new ATOM 0 HG21 ILE A 60 0.490 -4.385 4.273 1.00 1.01 H new ATOM 0 HG22 ILE A 60 0.379 -3.322 5.696 1.00 1.01 H new ATOM 0 HG23 ILE A 60 0.936 -2.667 4.137 1.00 1.01 H new ATOM 0 HD11 ILE A 60 4.155 -5.944 2.986 1.00 0.96 H new ATOM 0 HD12 ILE A 60 4.225 -5.940 4.764 1.00 0.96 H new ATOM 0 HD13 ILE A 60 2.711 -6.370 3.934 1.00 0.96 H new ATOM 963 N THR A 61 2.265 -0.732 4.731 1.00 0.45 N ATOM 964 CA THR A 61 2.357 0.422 3.852 1.00 0.45 C ATOM 965 C THR A 61 3.360 1.449 4.382 1.00 0.42 C ATOM 966 O THR A 61 4.145 2.019 3.620 1.00 0.41 O ATOM 967 CB THR A 61 0.974 1.071 3.695 1.00 0.51 C ATOM 968 OG1 THR A 61 -0.038 0.116 4.057 1.00 0.68 O ATOM 969 CG2 THR A 61 0.746 1.548 2.267 1.00 0.77 C ATOM 0 H THR A 61 1.351 -0.858 5.166 1.00 0.45 H new ATOM 0 HA THR A 61 2.710 0.079 2.880 1.00 0.45 H new ATOM 0 HB THR A 61 0.921 1.940 4.351 1.00 0.51 H new ATOM 0 HG1 THR A 61 -0.923 0.525 3.960 1.00 0.68 H new ATOM 0 HG21 THR A 61 -0.242 2.003 2.189 1.00 0.77 H new ATOM 0 HG22 THR A 61 1.506 2.284 2.003 1.00 0.77 H new ATOM 0 HG23 THR A 61 0.810 0.700 1.585 1.00 0.77 H new ATOM 977 N ASP A 62 3.383 1.621 5.701 1.00 0.42 N ATOM 978 CA ASP A 62 4.324 2.530 6.345 1.00 0.42 C ATOM 979 C ASP A 62 5.740 1.971 6.268 1.00 0.36 C ATOM 980 O ASP A 62 6.706 2.720 6.125 1.00 0.35 O ATOM 981 CB ASP A 62 3.934 2.760 7.806 1.00 0.47 C ATOM 982 CG ASP A 62 4.393 4.109 8.326 1.00 0.61 C ATOM 983 OD1 ASP A 62 5.553 4.216 8.771 1.00 1.06 O ATOM 984 OD2 ASP A 62 3.602 5.075 8.279 1.00 0.92 O ATOM 0 H ASP A 62 2.757 1.140 6.347 1.00 0.42 H new ATOM 0 HA ASP A 62 4.291 3.484 5.819 1.00 0.42 H new ATOM 0 HB2 ASP A 62 2.851 2.686 7.905 1.00 0.47 H new ATOM 0 HB3 ASP A 62 4.366 1.971 8.422 1.00 0.47 H new ATOM 989 N VAL A 63 5.845 0.646 6.297 1.00 0.34 N ATOM 990 CA VAL A 63 7.127 -0.035 6.166 1.00 0.32 C ATOM 991 C VAL A 63 7.774 0.303 4.831 1.00 0.31 C ATOM 992 O VAL A 63 8.905 0.785 4.793 1.00 0.35 O ATOM 993 CB VAL A 63 6.971 -1.567 6.287 1.00 0.36 C ATOM 994 CG1 VAL A 63 8.266 -2.283 5.936 1.00 0.68 C ATOM 995 CG2 VAL A 63 6.521 -1.950 7.684 1.00 0.66 C ATOM 0 H VAL A 63 5.049 0.018 6.411 1.00 0.34 H new ATOM 0 HA VAL A 63 7.764 0.312 6.980 1.00 0.32 H new ATOM 0 HB VAL A 63 6.207 -1.880 5.575 1.00 0.36 H new ATOM 0 HG11 VAL A 63 8.124 -3.360 6.031 1.00 0.68 H new ATOM 0 HG12 VAL A 63 8.548 -2.043 4.911 1.00 0.68 H new ATOM 0 HG13 VAL A 63 9.056 -1.960 6.615 1.00 0.68 H new ATOM 0 HG21 VAL A 63 6.417 -3.033 7.749 1.00 0.66 H new ATOM 0 HG22 VAL A 63 7.261 -1.613 8.410 1.00 0.66 H new ATOM 0 HG23 VAL A 63 5.561 -1.480 7.899 1.00 0.66 H new ATOM 1005 N VAL A 64 7.035 0.094 3.744 1.00 0.29 N ATOM 1006 CA VAL A 64 7.538 0.394 2.405 1.00 0.29 C ATOM 1007 C VAL A 64 7.932 1.863 2.286 1.00 0.31 C ATOM 1008 O VAL A 64 8.988 2.193 1.748 1.00 0.34 O ATOM 1009 CB VAL A 64 6.511 0.065 1.300 1.00 0.31 C ATOM 1010 CG1 VAL A 64 7.209 -0.106 -0.042 1.00 0.33 C ATOM 1011 CG2 VAL A 64 5.716 -1.184 1.646 1.00 0.38 C ATOM 0 H VAL A 64 6.087 -0.281 3.764 1.00 0.29 H new ATOM 0 HA VAL A 64 8.413 -0.240 2.262 1.00 0.29 H new ATOM 0 HB VAL A 64 5.815 0.900 1.229 1.00 0.31 H new ATOM 0 HG11 VAL A 64 6.470 -0.337 -0.809 1.00 0.33 H new ATOM 0 HG12 VAL A 64 7.727 0.817 -0.303 1.00 0.33 H new ATOM 0 HG13 VAL A 64 7.931 -0.920 0.024 1.00 0.33 H new ATOM 0 HG21 VAL A 64 5.000 -1.392 0.850 1.00 0.38 H new ATOM 0 HG22 VAL A 64 6.395 -2.030 1.753 1.00 0.38 H new ATOM 0 HG23 VAL A 64 5.181 -1.027 2.583 1.00 0.38 H new ATOM 1021 N ASN A 65 7.103 2.733 2.843 1.00 0.32 N ATOM 1022 CA ASN A 65 7.371 4.168 2.819 1.00 0.35 C ATOM 1023 C ASN A 65 8.658 4.496 3.569 1.00 0.38 C ATOM 1024 O ASN A 65 9.388 5.421 3.200 1.00 0.40 O ATOM 1025 CB ASN A 65 6.199 4.938 3.433 1.00 0.40 C ATOM 1026 CG ASN A 65 5.480 5.796 2.414 1.00 0.48 C ATOM 1027 OD1 ASN A 65 6.036 6.763 1.891 1.00 0.91 O ATOM 1028 ND2 ASN A 65 4.233 5.452 2.133 1.00 0.48 N ATOM 0 H ASN A 65 6.238 2.473 3.318 1.00 0.32 H new ATOM 0 HA ASN A 65 7.492 4.471 1.779 1.00 0.35 H new ATOM 0 HB2 ASN A 65 5.494 4.233 3.873 1.00 0.40 H new ATOM 0 HB3 ASN A 65 6.566 5.569 4.242 1.00 0.40 H new ATOM 0 HD21 ASN A 65 3.693 5.996 1.460 1.00 0.48 H new ATOM 0 HD22 ASN A 65 3.812 4.643 2.590 1.00 0.48 H new ATOM 1035 N GLN A 66 8.943 3.715 4.606 1.00 0.39 N ATOM 1036 CA GLN A 66 10.137 3.911 5.414 1.00 0.42 C ATOM 1037 C GLN A 66 11.398 3.557 4.635 1.00 0.40 C ATOM 1038 O GLN A 66 12.334 4.350 4.575 1.00 0.44 O ATOM 1039 CB GLN A 66 10.063 3.072 6.690 1.00 0.44 C ATOM 1040 CG GLN A 66 10.005 3.904 7.960 1.00 0.87 C ATOM 1041 CD GLN A 66 10.967 3.416 9.027 1.00 1.45 C ATOM 1042 OE1 GLN A 66 12.184 3.508 8.872 1.00 2.20 O ATOM 1043 NE2 GLN A 66 10.426 2.897 10.118 1.00 1.61 N ATOM 0 H GLN A 66 8.357 2.936 4.906 1.00 0.39 H new ATOM 0 HA GLN A 66 10.185 4.967 5.681 1.00 0.42 H new ATOM 0 HB2 GLN A 66 9.182 2.432 6.644 1.00 0.44 H new ATOM 0 HB3 GLN A 66 10.932 2.415 6.735 1.00 0.44 H new ATOM 0 HG2 GLN A 66 10.233 4.942 7.719 1.00 0.87 H new ATOM 0 HG3 GLN A 66 8.990 3.884 8.356 1.00 0.87 H new ATOM 0 HE21 GLN A 66 9.411 2.839 10.206 1.00 1.61 H new ATOM 0 HE22 GLN A 66 11.024 2.555 10.870 1.00 1.61 H new ATOM 1052 N LEU A 67 11.443 2.348 4.079 1.00 0.36 N ATOM 1053 CA LEU A 67 12.634 1.891 3.359 1.00 0.35 C ATOM 1054 C LEU A 67 12.951 2.804 2.182 1.00 0.31 C ATOM 1055 O LEU A 67 14.109 3.163 1.968 1.00 0.32 O ATOM 1056 CB LEU A 67 12.485 0.448 2.863 1.00 0.38 C ATOM 1057 CG LEU A 67 11.105 -0.173 3.025 1.00 0.63 C ATOM 1058 CD1 LEU A 67 10.573 -0.633 1.684 1.00 1.04 C ATOM 1059 CD2 LEU A 67 11.161 -1.334 3.997 1.00 1.01 C ATOM 0 H LEU A 67 10.679 1.673 4.111 1.00 0.36 H new ATOM 0 HA LEU A 67 13.459 1.926 4.070 1.00 0.35 H new ATOM 0 HB2 LEU A 67 12.754 0.418 1.807 1.00 0.38 H new ATOM 0 HB3 LEU A 67 13.206 -0.174 3.393 1.00 0.38 H new ATOM 0 HG LEU A 67 10.429 0.583 3.425 1.00 0.63 H new ATOM 0 HD11 LEU A 67 9.585 -1.075 1.817 1.00 1.04 H new ATOM 0 HD12 LEU A 67 10.501 0.220 1.009 1.00 1.04 H new ATOM 0 HD13 LEU A 67 11.249 -1.376 1.260 1.00 1.04 H new ATOM 0 HD21 LEU A 67 10.167 -1.768 4.103 1.00 1.01 H new ATOM 0 HD22 LEU A 67 11.849 -2.091 3.621 1.00 1.01 H new ATOM 0 HD23 LEU A 67 11.507 -0.979 4.968 1.00 1.01 H new ATOM 1071 N VAL A 68 11.918 3.210 1.444 1.00 0.29 N ATOM 1072 CA VAL A 68 12.104 4.123 0.318 1.00 0.28 C ATOM 1073 C VAL A 68 12.727 5.430 0.792 1.00 0.30 C ATOM 1074 O VAL A 68 13.710 5.903 0.225 1.00 0.32 O ATOM 1075 CB VAL A 68 10.775 4.433 -0.412 1.00 0.28 C ATOM 1076 CG1 VAL A 68 11.003 5.404 -1.560 1.00 0.81 C ATOM 1077 CG2 VAL A 68 10.132 3.159 -0.929 1.00 0.69 C ATOM 0 H VAL A 68 10.952 2.924 1.604 1.00 0.29 H new ATOM 0 HA VAL A 68 12.770 3.623 -0.386 1.00 0.28 H new ATOM 0 HB VAL A 68 10.100 4.896 0.308 1.00 0.28 H new ATOM 0 HG11 VAL A 68 10.055 5.607 -2.058 1.00 0.81 H new ATOM 0 HG12 VAL A 68 11.416 6.335 -1.172 1.00 0.81 H new ATOM 0 HG13 VAL A 68 11.701 4.967 -2.273 1.00 0.81 H new ATOM 0 HG21 VAL A 68 9.200 3.403 -1.438 1.00 0.69 H new ATOM 0 HG22 VAL A 68 10.809 2.667 -1.628 1.00 0.69 H new ATOM 0 HG23 VAL A 68 9.925 2.491 -0.093 1.00 0.69 H new ATOM 1087 N ASP A 69 12.184 5.969 1.877 1.00 0.33 N ATOM 1088 CA ASP A 69 12.706 7.196 2.466 1.00 0.39 C ATOM 1089 C ASP A 69 14.150 7.015 2.912 1.00 0.36 C ATOM 1090 O ASP A 69 15.019 7.818 2.581 1.00 0.37 O ATOM 1091 CB ASP A 69 11.859 7.614 3.669 1.00 0.50 C ATOM 1092 CG ASP A 69 12.344 8.903 4.305 1.00 0.74 C ATOM 1093 OD1 ASP A 69 12.384 9.937 3.604 1.00 1.11 O ATOM 1094 OD2 ASP A 69 12.712 8.884 5.499 1.00 1.33 O ATOM 0 H ASP A 69 11.381 5.575 2.367 1.00 0.33 H new ATOM 0 HA ASP A 69 12.664 7.973 1.703 1.00 0.39 H new ATOM 0 HB2 ASP A 69 10.823 7.736 3.354 1.00 0.50 H new ATOM 0 HB3 ASP A 69 11.874 6.818 4.413 1.00 0.50 H new ATOM 1099 N ASN A 70 14.389 5.968 3.687 1.00 0.35 N ATOM 1100 CA ASN A 70 15.709 5.711 4.248 1.00 0.37 C ATOM 1101 C ASN A 70 16.751 5.530 3.154 1.00 0.33 C ATOM 1102 O ASN A 70 17.797 6.173 3.183 1.00 0.40 O ATOM 1103 CB ASN A 70 15.675 4.482 5.157 1.00 0.44 C ATOM 1104 CG ASN A 70 15.187 4.821 6.556 1.00 0.89 C ATOM 1105 OD1 ASN A 70 15.978 4.973 7.490 1.00 0.95 O ATOM 1106 ND2 ASN A 70 13.880 4.949 6.706 1.00 1.69 N ATOM 0 H ASN A 70 13.683 5.278 3.943 1.00 0.35 H new ATOM 0 HA ASN A 70 15.992 6.580 4.841 1.00 0.37 H new ATOM 0 HB2 ASN A 70 15.024 3.725 4.719 1.00 0.44 H new ATOM 0 HB3 ASN A 70 16.673 4.048 5.217 1.00 0.44 H new ATOM 0 HD21 ASN A 70 13.492 5.182 7.620 1.00 1.69 H new ATOM 0 HD22 ASN A 70 13.259 4.815 5.908 1.00 1.69 H new ATOM 1113 N TRP A 71 16.429 4.722 2.150 1.00 0.30 N ATOM 1114 CA TRP A 71 17.330 4.509 1.022 1.00 0.36 C ATOM 1115 C TRP A 71 17.602 5.820 0.291 1.00 0.35 C ATOM 1116 O TRP A 71 18.740 6.114 -0.082 1.00 0.40 O ATOM 1117 CB TRP A 71 16.736 3.482 0.050 1.00 0.42 C ATOM 1118 CG TRP A 71 17.668 3.100 -1.062 1.00 0.52 C ATOM 1119 CD1 TRP A 71 18.623 2.127 -1.034 1.00 0.63 C ATOM 1120 CD2 TRP A 71 17.723 3.676 -2.372 1.00 0.58 C ATOM 1121 NE1 TRP A 71 19.299 2.100 -2.228 1.00 0.72 N ATOM 1122 CE2 TRP A 71 18.763 3.035 -3.064 1.00 0.68 C ATOM 1123 CE3 TRP A 71 17.006 4.686 -3.022 1.00 0.62 C ATOM 1124 CZ2 TRP A 71 19.104 3.364 -4.373 1.00 0.77 C ATOM 1125 CZ3 TRP A 71 17.341 5.008 -4.324 1.00 0.73 C ATOM 1126 CH2 TRP A 71 18.386 4.353 -4.984 1.00 0.77 C ATOM 0 H TRP A 71 15.552 4.204 2.094 1.00 0.30 H new ATOM 0 HA TRP A 71 18.274 4.126 1.410 1.00 0.36 H new ATOM 0 HB2 TRP A 71 16.460 2.586 0.605 1.00 0.42 H new ATOM 0 HB3 TRP A 71 15.819 3.887 -0.378 1.00 0.42 H new ATOM 0 HD1 TRP A 71 18.818 1.474 -0.196 1.00 0.63 H new ATOM 0 HE1 TRP A 71 20.077 1.480 -2.454 1.00 0.72 H new ATOM 0 HE3 TRP A 71 16.205 5.205 -2.516 1.00 0.62 H new ATOM 0 HZ2 TRP A 71 19.907 2.856 -4.887 1.00 0.77 H new ATOM 0 HZ3 TRP A 71 16.787 5.778 -4.840 1.00 0.73 H new ATOM 0 HH2 TRP A 71 18.630 4.635 -5.998 1.00 0.77 H new ATOM 1137 N LEU A 72 16.548 6.595 0.066 1.00 0.36 N ATOM 1138 CA LEU A 72 16.654 7.846 -0.673 1.00 0.42 C ATOM 1139 C LEU A 72 17.528 8.863 0.054 1.00 0.49 C ATOM 1140 O LEU A 72 18.196 9.672 -0.580 1.00 0.61 O ATOM 1141 CB LEU A 72 15.266 8.437 -0.916 1.00 0.45 C ATOM 1142 CG LEU A 72 14.534 7.877 -2.133 1.00 0.42 C ATOM 1143 CD1 LEU A 72 13.137 8.461 -2.223 1.00 1.23 C ATOM 1144 CD2 LEU A 72 15.316 8.165 -3.402 1.00 1.38 C ATOM 0 H LEU A 72 15.605 6.377 0.387 1.00 0.36 H new ATOM 0 HA LEU A 72 17.127 7.620 -1.629 1.00 0.42 H new ATOM 0 HB2 LEU A 72 14.654 8.265 -0.031 1.00 0.45 H new ATOM 0 HB3 LEU A 72 15.362 9.517 -1.033 1.00 0.45 H new ATOM 0 HG LEU A 72 14.450 6.796 -2.020 1.00 0.42 H new ATOM 0 HD11 LEU A 72 12.627 8.052 -3.096 1.00 1.23 H new ATOM 0 HD12 LEU A 72 12.577 8.206 -1.323 1.00 1.23 H new ATOM 0 HD13 LEU A 72 13.201 9.545 -2.315 1.00 1.23 H new ATOM 0 HD21 LEU A 72 14.780 7.759 -4.260 1.00 1.38 H new ATOM 0 HD22 LEU A 72 15.430 9.242 -3.522 1.00 1.38 H new ATOM 0 HD23 LEU A 72 16.300 7.701 -3.336 1.00 1.38 H new ATOM 1156 N LYS A 73 17.472 8.869 1.377 1.00 0.51 N ATOM 1157 CA LYS A 73 18.227 9.843 2.155 1.00 0.64 C ATOM 1158 C LYS A 73 19.645 9.350 2.432 1.00 0.63 C ATOM 1159 O LYS A 73 20.585 10.139 2.498 1.00 0.74 O ATOM 1160 CB LYS A 73 17.506 10.151 3.473 1.00 0.82 C ATOM 1161 CG LYS A 73 16.040 10.519 3.292 1.00 0.97 C ATOM 1162 CD LYS A 73 15.748 11.941 3.736 1.00 1.32 C ATOM 1163 CE LYS A 73 14.968 11.962 5.042 1.00 1.19 C ATOM 1164 NZ LYS A 73 13.501 12.023 4.810 1.00 1.42 N ATOM 0 H LYS A 73 16.917 8.217 1.932 1.00 0.51 H new ATOM 0 HA LYS A 73 18.296 10.759 1.568 1.00 0.64 H new ATOM 0 HB2 LYS A 73 17.576 9.282 4.128 1.00 0.82 H new ATOM 0 HB3 LYS A 73 18.019 10.971 3.975 1.00 0.82 H new ATOM 0 HG2 LYS A 73 15.765 10.403 2.244 1.00 0.97 H new ATOM 0 HG3 LYS A 73 15.420 9.827 3.862 1.00 0.97 H new ATOM 0 HD2 LYS A 73 16.684 12.485 3.860 1.00 1.32 H new ATOM 0 HD3 LYS A 73 15.180 12.457 2.962 1.00 1.32 H new ATOM 0 HE2 LYS A 73 15.207 11.071 5.622 1.00 1.19 H new ATOM 0 HE3 LYS A 73 15.278 12.822 5.636 1.00 1.19 H new ATOM 0 HZ1 LYS A 73 13.001 11.717 5.669 1.00 1.42 H new ATOM 0 HZ2 LYS A 73 13.226 12.999 4.579 1.00 1.42 H new ATOM 0 HZ3 LYS A 73 13.248 11.396 4.020 1.00 1.42 H new ATOM 1178 N GLU A 74 19.784 8.049 2.640 1.00 0.60 N ATOM 1179 CA GLU A 74 21.071 7.466 2.999 1.00 0.77 C ATOM 1180 C GLU A 74 21.995 7.333 1.794 1.00 0.85 C ATOM 1181 O GLU A 74 23.204 7.524 1.909 1.00 1.00 O ATOM 1182 CB GLU A 74 20.865 6.096 3.643 1.00 0.93 C ATOM 1183 CG GLU A 74 20.597 6.165 5.134 1.00 1.00 C ATOM 1184 CD GLU A 74 21.662 6.933 5.880 1.00 1.39 C ATOM 1185 OE1 GLU A 74 22.843 6.866 5.480 1.00 1.30 O ATOM 1186 OE2 GLU A 74 21.328 7.619 6.869 1.00 2.41 O ATOM 0 H GLU A 74 19.022 7.375 2.567 1.00 0.60 H new ATOM 0 HA GLU A 74 21.547 8.141 3.710 1.00 0.77 H new ATOM 0 HB2 GLU A 74 20.029 5.595 3.154 1.00 0.93 H new ATOM 0 HB3 GLU A 74 21.750 5.484 3.468 1.00 0.93 H new ATOM 0 HG2 GLU A 74 19.629 6.635 5.304 1.00 1.00 H new ATOM 0 HG3 GLU A 74 20.535 5.154 5.536 1.00 1.00 H new ATOM 1719 N LYS B 33 5.978 -17.332 -5.364 1.00 1.35 N ATOM 1720 CA LYS B 33 7.152 -16.786 -4.693 1.00 0.80 C ATOM 1721 C LYS B 33 7.336 -15.315 -5.048 1.00 0.59 C ATOM 1722 O LYS B 33 8.326 -14.689 -4.668 1.00 0.58 O ATOM 1723 CB LYS B 33 8.400 -17.584 -5.069 1.00 1.23 C ATOM 1724 CG LYS B 33 8.771 -17.486 -6.540 1.00 2.23 C ATOM 1725 CD LYS B 33 9.561 -18.698 -6.996 1.00 3.13 C ATOM 1726 CE LYS B 33 8.693 -19.656 -7.795 1.00 4.15 C ATOM 1727 NZ LYS B 33 8.486 -19.185 -9.189 1.00 4.99 N ATOM 0 HA LYS B 33 7.000 -16.864 -3.616 1.00 0.80 H new ATOM 0 HB2 LYS B 33 9.239 -17.233 -4.468 1.00 1.23 H new ATOM 0 HB3 LYS B 33 8.241 -18.632 -4.813 1.00 1.23 H new ATOM 0 HG2 LYS B 33 7.865 -17.394 -7.139 1.00 2.23 H new ATOM 0 HG3 LYS B 33 9.358 -16.583 -6.709 1.00 2.23 H new ATOM 0 HD2 LYS B 33 10.406 -18.376 -7.605 1.00 3.13 H new ATOM 0 HD3 LYS B 33 9.972 -19.214 -6.128 1.00 3.13 H new ATOM 0 HE2 LYS B 33 9.159 -20.641 -7.810 1.00 4.15 H new ATOM 0 HE3 LYS B 33 7.727 -19.768 -7.302 1.00 4.15 H new ATOM 0 HZ1 LYS B 33 7.889 -19.866 -9.700 1.00 4.99 H new ATOM 0 HZ2 LYS B 33 8.018 -18.256 -9.176 1.00 4.99 H new ATOM 0 HZ3 LYS B 33 9.406 -19.103 -9.668 1.00 4.99 H new ATOM 1741 N ILE B 34 6.353 -14.764 -5.739 1.00 0.67 N ATOM 1742 CA ILE B 34 6.353 -13.357 -6.092 1.00 0.59 C ATOM 1743 C ILE B 34 4.981 -12.761 -5.823 1.00 0.57 C ATOM 1744 O ILE B 34 3.959 -13.360 -6.168 1.00 0.68 O ATOM 1745 CB ILE B 34 6.731 -13.130 -7.572 1.00 0.78 C ATOM 1746 CG1 ILE B 34 5.988 -14.114 -8.480 1.00 1.38 C ATOM 1747 CG2 ILE B 34 8.233 -13.261 -7.762 1.00 1.45 C ATOM 1748 CD1 ILE B 34 5.019 -13.447 -9.435 1.00 1.92 C ATOM 0 H ILE B 34 5.536 -15.278 -6.069 1.00 0.67 H new ATOM 0 HA ILE B 34 7.106 -12.864 -5.477 1.00 0.59 H new ATOM 0 HB ILE B 34 6.433 -12.119 -7.849 1.00 0.78 H new ATOM 0 HG12 ILE B 34 6.717 -14.685 -9.055 1.00 1.38 H new ATOM 0 HG13 ILE B 34 5.442 -14.826 -7.860 1.00 1.38 H new ATOM 0 HG21 ILE B 34 8.483 -13.098 -8.810 1.00 1.45 H new ATOM 0 HG22 ILE B 34 8.743 -12.519 -7.148 1.00 1.45 H new ATOM 0 HG23 ILE B 34 8.552 -14.260 -7.464 1.00 1.45 H new ATOM 0 HD11 ILE B 34 4.530 -14.206 -10.046 1.00 1.92 H new ATOM 0 HD12 ILE B 34 4.268 -12.899 -8.867 1.00 1.92 H new ATOM 0 HD13 ILE B 34 5.562 -12.756 -10.080 1.00 1.92 H new ATOM 1760 N LYS B 35 4.957 -11.635 -5.135 1.00 0.54 N ATOM 1761 CA LYS B 35 3.707 -10.990 -4.769 1.00 0.58 C ATOM 1762 C LYS B 35 3.739 -9.526 -5.178 1.00 0.59 C ATOM 1763 O LYS B 35 4.795 -8.895 -5.156 1.00 0.67 O ATOM 1764 CB LYS B 35 3.434 -11.117 -3.262 1.00 0.70 C ATOM 1765 CG LYS B 35 4.569 -11.744 -2.461 1.00 0.94 C ATOM 1766 CD LYS B 35 4.510 -13.269 -2.471 1.00 1.25 C ATOM 1767 CE LYS B 35 3.183 -13.794 -1.943 1.00 1.12 C ATOM 1768 NZ LYS B 35 3.343 -15.088 -1.225 1.00 1.30 N ATOM 0 H LYS B 35 5.793 -11.145 -4.816 1.00 0.54 H new ATOM 0 HA LYS B 35 2.897 -11.492 -5.298 1.00 0.58 H new ATOM 0 HB2 LYS B 35 3.227 -10.126 -2.859 1.00 0.70 H new ATOM 0 HB3 LYS B 35 2.533 -11.714 -3.119 1.00 0.70 H new ATOM 0 HG2 LYS B 35 5.524 -11.417 -2.871 1.00 0.94 H new ATOM 0 HG3 LYS B 35 4.525 -11.387 -1.432 1.00 0.94 H new ATOM 0 HD2 LYS B 35 4.664 -13.631 -3.488 1.00 1.25 H new ATOM 0 HD3 LYS B 35 5.324 -13.667 -1.865 1.00 1.25 H new ATOM 0 HE2 LYS B 35 2.743 -13.058 -1.270 1.00 1.12 H new ATOM 0 HE3 LYS B 35 2.488 -13.923 -2.773 1.00 1.12 H new ATOM 0 HZ1 LYS B 35 2.450 -15.335 -0.752 1.00 1.30 H new ATOM 0 HZ2 LYS B 35 3.592 -15.834 -1.905 1.00 1.30 H new ATOM 0 HZ3 LYS B 35 4.098 -15.000 -0.515 1.00 1.30 H new ATOM 1782 N ARG B 36 2.599 -9.001 -5.589 1.00 0.63 N ATOM 1783 CA ARG B 36 2.528 -7.623 -6.052 1.00 0.65 C ATOM 1784 C ARG B 36 1.875 -6.734 -5.002 1.00 0.63 C ATOM 1785 O ARG B 36 0.767 -7.012 -4.533 1.00 0.77 O ATOM 1786 CB ARG B 36 1.765 -7.525 -7.378 1.00 0.72 C ATOM 1787 CG ARG B 36 0.614 -8.506 -7.499 1.00 1.52 C ATOM 1788 CD ARG B 36 0.891 -9.570 -8.551 1.00 1.83 C ATOM 1789 NE ARG B 36 0.193 -10.824 -8.263 1.00 2.61 N ATOM 1790 CZ ARG B 36 0.788 -11.922 -7.791 1.00 3.31 C ATOM 1791 NH1 ARG B 36 2.103 -11.954 -7.620 1.00 3.37 N ATOM 1792 NH2 ARG B 36 0.066 -12.997 -7.508 1.00 4.33 N ATOM 0 H ARG B 36 1.712 -9.504 -5.613 1.00 0.63 H new ATOM 0 HA ARG B 36 3.548 -7.275 -6.218 1.00 0.65 H new ATOM 0 HB2 ARG B 36 1.379 -6.512 -7.490 1.00 0.72 H new ATOM 0 HB3 ARG B 36 2.461 -7.694 -8.200 1.00 0.72 H new ATOM 0 HG2 ARG B 36 0.440 -8.984 -6.535 1.00 1.52 H new ATOM 0 HG3 ARG B 36 -0.298 -7.967 -7.757 1.00 1.52 H new ATOM 0 HD2 ARG B 36 0.583 -9.201 -9.529 1.00 1.83 H new ATOM 0 HD3 ARG B 36 1.964 -9.756 -8.604 1.00 1.83 H new ATOM 0 HE ARG B 36 -0.812 -10.861 -8.434 1.00 2.61 H new ATOM 0 HH11 ARG B 36 2.667 -11.136 -7.850 1.00 3.37 H new ATOM 0 HH12 ARG B 36 2.550 -12.797 -7.259 1.00 3.37 H new ATOM 0 HH21 ARG B 36 -0.944 -12.985 -7.651 1.00 4.33 H new ATOM 0 HH22 ARG B 36 0.520 -13.836 -7.147 1.00 4.33 H new ATOM 1806 N VAL B 37 2.577 -5.679 -4.623 1.00 0.53 N ATOM 1807 CA VAL B 37 2.086 -4.741 -3.626 1.00 0.56 C ATOM 1808 C VAL B 37 2.038 -3.332 -4.207 1.00 0.49 C ATOM 1809 O VAL B 37 2.991 -2.881 -4.843 1.00 0.49 O ATOM 1810 CB VAL B 37 2.972 -4.736 -2.359 1.00 0.71 C ATOM 1811 CG1 VAL B 37 2.412 -3.799 -1.300 1.00 0.92 C ATOM 1812 CG2 VAL B 37 3.124 -6.140 -1.799 1.00 1.36 C ATOM 0 H VAL B 37 3.498 -5.449 -4.995 1.00 0.53 H new ATOM 0 HA VAL B 37 1.083 -5.063 -3.344 1.00 0.56 H new ATOM 0 HB VAL B 37 3.958 -4.371 -2.647 1.00 0.71 H new ATOM 0 HG11 VAL B 37 3.056 -3.817 -0.421 1.00 0.92 H new ATOM 0 HG12 VAL B 37 2.369 -2.785 -1.698 1.00 0.92 H new ATOM 0 HG13 VAL B 37 1.409 -4.123 -1.021 1.00 0.92 H new ATOM 0 HG21 VAL B 37 3.751 -6.110 -0.908 1.00 1.36 H new ATOM 0 HG22 VAL B 37 2.142 -6.536 -1.539 1.00 1.36 H new ATOM 0 HG23 VAL B 37 3.587 -6.782 -2.548 1.00 1.36 H new ATOM 1822 N ASN B 38 0.941 -2.634 -3.961 1.00 0.54 N ATOM 1823 CA ASN B 38 0.792 -1.266 -4.429 1.00 0.54 C ATOM 1824 C ASN B 38 0.990 -0.307 -3.266 1.00 0.52 C ATOM 1825 O ASN B 38 0.393 -0.475 -2.201 1.00 0.60 O ATOM 1826 CB ASN B 38 -0.590 -1.065 -5.075 1.00 0.66 C ATOM 1827 CG ASN B 38 -1.215 0.291 -4.771 1.00 0.92 C ATOM 1828 OD1 ASN B 38 -1.925 0.454 -3.777 1.00 1.67 O ATOM 1829 ND2 ASN B 38 -0.976 1.269 -5.635 1.00 1.37 N ATOM 0 H ASN B 38 0.141 -2.992 -3.440 1.00 0.54 H new ATOM 0 HA ASN B 38 1.548 -1.062 -5.187 1.00 0.54 H new ATOM 0 HB2 ASN B 38 -0.497 -1.179 -6.155 1.00 0.66 H new ATOM 0 HB3 ASN B 38 -1.261 -1.851 -4.729 1.00 0.66 H new ATOM 0 HD21 ASN B 38 -1.385 2.192 -5.487 1.00 1.37 H new ATOM 0 HD22 ASN B 38 -0.383 1.098 -6.447 1.00 1.37 H new ATOM 1836 N VAL B 39 1.895 0.641 -3.440 1.00 0.48 N ATOM 1837 CA VAL B 39 2.213 1.588 -2.384 1.00 0.49 C ATOM 1838 C VAL B 39 2.168 3.012 -2.907 1.00 0.46 C ATOM 1839 O VAL B 39 2.441 3.261 -4.083 1.00 0.48 O ATOM 1840 CB VAL B 39 3.606 1.334 -1.761 1.00 0.54 C ATOM 1841 CG1 VAL B 39 3.481 1.118 -0.263 1.00 0.77 C ATOM 1842 CG2 VAL B 39 4.303 0.150 -2.417 1.00 0.54 C ATOM 0 H VAL B 39 2.423 0.776 -4.302 1.00 0.48 H new ATOM 0 HA VAL B 39 1.458 1.446 -1.610 1.00 0.49 H new ATOM 0 HB VAL B 39 4.219 2.217 -1.940 1.00 0.54 H new ATOM 0 HG11 VAL B 39 4.469 0.940 0.163 1.00 0.77 H new ATOM 0 HG12 VAL B 39 3.042 2.003 0.197 1.00 0.77 H new ATOM 0 HG13 VAL B 39 2.843 0.255 -0.072 1.00 0.77 H new ATOM 0 HG21 VAL B 39 5.279 0.000 -1.955 1.00 0.54 H new ATOM 0 HG22 VAL B 39 3.698 -0.747 -2.286 1.00 0.54 H new ATOM 0 HG23 VAL B 39 4.432 0.348 -3.481 1.00 0.54 H new ATOM 1852 N ASN B 40 1.846 3.943 -2.023 1.00 0.52 N ATOM 1853 CA ASN B 40 1.796 5.351 -2.383 1.00 0.57 C ATOM 1854 C ASN B 40 2.879 6.126 -1.643 1.00 0.56 C ATOM 1855 O ASN B 40 3.061 5.968 -0.436 1.00 0.72 O ATOM 1856 CB ASN B 40 0.411 5.946 -2.090 1.00 0.77 C ATOM 1857 CG ASN B 40 -0.065 5.722 -0.665 1.00 1.47 C ATOM 1858 OD1 ASN B 40 0.206 6.524 0.230 1.00 2.28 O ATOM 1859 ND2 ASN B 40 -0.795 4.637 -0.447 1.00 1.99 N ATOM 0 H ASN B 40 1.615 3.748 -1.049 1.00 0.52 H new ATOM 0 HA ASN B 40 1.978 5.435 -3.454 1.00 0.57 H new ATOM 0 HB2 ASN B 40 0.437 7.017 -2.290 1.00 0.77 H new ATOM 0 HB3 ASN B 40 -0.314 5.510 -2.778 1.00 0.77 H new ATOM 0 HD21 ASN B 40 -1.153 4.443 0.488 1.00 1.99 H new ATOM 0 HD22 ASN B 40 -0.998 3.996 -1.214 1.00 1.99 H new ATOM 1866 N PHE B 41 3.616 6.933 -2.385 1.00 0.48 N ATOM 1867 CA PHE B 41 4.695 7.726 -1.821 1.00 0.55 C ATOM 1868 C PHE B 41 4.505 9.190 -2.187 1.00 0.60 C ATOM 1869 O PHE B 41 3.804 9.506 -3.144 1.00 0.76 O ATOM 1870 CB PHE B 41 6.052 7.248 -2.345 1.00 0.66 C ATOM 1871 CG PHE B 41 6.304 5.778 -2.161 1.00 0.67 C ATOM 1872 CD1 PHE B 41 6.279 5.211 -0.899 1.00 1.04 C ATOM 1873 CD2 PHE B 41 6.562 4.965 -3.250 1.00 1.12 C ATOM 1874 CE1 PHE B 41 6.509 3.861 -0.727 1.00 1.08 C ATOM 1875 CE2 PHE B 41 6.793 3.615 -3.084 1.00 1.26 C ATOM 1876 CZ PHE B 41 6.773 3.063 -1.825 1.00 0.93 C ATOM 0 H PHE B 41 3.485 7.057 -3.389 1.00 0.48 H new ATOM 0 HA PHE B 41 4.674 7.609 -0.737 1.00 0.55 H new ATOM 0 HB2 PHE B 41 6.123 7.487 -3.406 1.00 0.66 H new ATOM 0 HB3 PHE B 41 6.840 7.806 -1.839 1.00 0.66 H new ATOM 0 HD1 PHE B 41 6.077 5.832 -0.039 1.00 1.04 H new ATOM 0 HD2 PHE B 41 6.583 5.392 -4.242 1.00 1.12 H new ATOM 0 HE1 PHE B 41 6.483 3.429 0.263 1.00 1.08 H new ATOM 0 HE2 PHE B 41 6.990 2.991 -3.944 1.00 1.26 H new ATOM 0 HZ PHE B 41 6.963 2.008 -1.694 1.00 0.93 H new ATOM 1886 N ASP B 42 5.147 10.070 -1.441 1.00 0.56 N ATOM 1887 CA ASP B 42 5.075 11.502 -1.704 1.00 0.59 C ATOM 1888 C ASP B 42 5.655 11.823 -3.075 1.00 0.54 C ATOM 1889 O ASP B 42 6.584 11.160 -3.532 1.00 0.51 O ATOM 1890 CB ASP B 42 5.849 12.275 -0.635 1.00 0.68 C ATOM 1891 CG ASP B 42 5.695 11.682 0.752 1.00 1.22 C ATOM 1892 OD1 ASP B 42 6.326 10.640 1.031 1.00 1.66 O ATOM 1893 OD2 ASP B 42 4.936 12.253 1.571 1.00 2.03 O ATOM 0 H ASP B 42 5.729 9.819 -0.642 1.00 0.56 H new ATOM 0 HA ASP B 42 4.027 11.800 -1.681 1.00 0.59 H new ATOM 0 HB2 ASP B 42 6.906 12.293 -0.901 1.00 0.68 H new ATOM 0 HB3 ASP B 42 5.506 13.309 -0.622 1.00 0.68 H new ATOM 1898 N GLU B 43 5.110 12.845 -3.719 1.00 0.63 N ATOM 1899 CA GLU B 43 5.578 13.267 -5.030 1.00 0.67 C ATOM 1900 C GLU B 43 7.043 13.687 -4.963 1.00 0.56 C ATOM 1901 O GLU B 43 7.841 13.301 -5.810 1.00 0.60 O ATOM 1902 CB GLU B 43 4.719 14.414 -5.562 1.00 0.87 C ATOM 1903 CG GLU B 43 4.622 14.456 -7.080 1.00 1.09 C ATOM 1904 CD GLU B 43 5.242 15.707 -7.668 1.00 1.11 C ATOM 1905 OE1 GLU B 43 5.635 16.601 -6.896 1.00 1.63 O ATOM 1906 OE2 GLU B 43 5.350 15.795 -8.911 1.00 1.73 O ATOM 0 H GLU B 43 4.338 13.400 -3.351 1.00 0.63 H new ATOM 0 HA GLU B 43 5.490 12.424 -5.715 1.00 0.67 H new ATOM 0 HB2 GLU B 43 3.715 14.327 -5.145 1.00 0.87 H new ATOM 0 HB3 GLU B 43 5.131 15.359 -5.207 1.00 0.87 H new ATOM 0 HG2 GLU B 43 5.117 13.579 -7.497 1.00 1.09 H new ATOM 0 HG3 GLU B 43 3.574 14.401 -7.375 1.00 1.09 H new ATOM 1913 N GLU B 44 7.402 14.389 -3.892 1.00 0.52 N ATOM 1914 CA GLU B 44 8.790 14.775 -3.643 1.00 0.54 C ATOM 1915 C GLU B 44 9.674 13.539 -3.553 1.00 0.53 C ATOM 1916 O GLU B 44 10.693 13.431 -4.235 1.00 0.57 O ATOM 1917 CB GLU B 44 8.884 15.542 -2.331 1.00 0.62 C ATOM 1918 CG GLU B 44 10.073 16.486 -2.250 1.00 0.91 C ATOM 1919 CD GLU B 44 11.047 16.110 -1.149 1.00 1.74 C ATOM 1920 OE1 GLU B 44 10.776 16.431 0.027 1.00 2.36 O ATOM 1921 OE2 GLU B 44 12.089 15.495 -1.458 1.00 2.52 O ATOM 0 H GLU B 44 6.746 14.705 -3.177 1.00 0.52 H new ATOM 0 HA GLU B 44 9.127 15.404 -4.467 1.00 0.54 H new ATOM 0 HB2 GLU B 44 7.968 16.116 -2.191 1.00 0.62 H new ATOM 0 HB3 GLU B 44 8.943 14.829 -1.509 1.00 0.62 H new ATOM 0 HG2 GLU B 44 10.596 16.488 -3.206 1.00 0.91 H new ATOM 0 HG3 GLU B 44 9.714 17.501 -2.081 1.00 0.91 H new ATOM 1928 N LYS B 45 9.224 12.584 -2.752 1.00 0.52 N ATOM 1929 CA LYS B 45 9.912 11.315 -2.574 1.00 0.56 C ATOM 1930 C LYS B 45 9.955 10.542 -3.894 1.00 0.55 C ATOM 1931 O LYS B 45 10.884 9.779 -4.154 1.00 0.59 O ATOM 1932 CB LYS B 45 9.190 10.513 -1.481 1.00 0.61 C ATOM 1933 CG LYS B 45 9.719 9.108 -1.261 1.00 0.75 C ATOM 1934 CD LYS B 45 8.771 8.301 -0.384 1.00 0.96 C ATOM 1935 CE LYS B 45 9.208 8.304 1.073 1.00 1.30 C ATOM 1936 NZ LYS B 45 8.486 9.327 1.881 1.00 1.74 N ATOM 0 H LYS B 45 8.367 12.669 -2.205 1.00 0.52 H new ATOM 0 HA LYS B 45 10.943 11.489 -2.266 1.00 0.56 H new ATOM 0 HB2 LYS B 45 9.260 11.062 -0.542 1.00 0.61 H new ATOM 0 HB3 LYS B 45 8.132 10.451 -1.736 1.00 0.61 H new ATOM 0 HG2 LYS B 45 9.846 8.609 -2.221 1.00 0.75 H new ATOM 0 HG3 LYS B 45 10.702 9.155 -0.793 1.00 0.75 H new ATOM 0 HD2 LYS B 45 7.765 8.712 -0.462 1.00 0.96 H new ATOM 0 HD3 LYS B 45 8.725 7.274 -0.747 1.00 0.96 H new ATOM 0 HE2 LYS B 45 9.036 7.317 1.503 1.00 1.30 H new ATOM 0 HE3 LYS B 45 10.280 8.493 1.127 1.00 1.30 H new ATOM 0 HZ1 LYS B 45 9.125 10.121 2.087 1.00 1.74 H new ATOM 0 HZ2 LYS B 45 7.663 9.674 1.347 1.00 1.74 H new ATOM 0 HZ3 LYS B 45 8.165 8.901 2.774 1.00 1.74 H new ATOM 1950 N HIS B 46 9.003 10.829 -4.769 1.00 0.52 N ATOM 1951 CA HIS B 46 8.970 10.217 -6.094 1.00 0.55 C ATOM 1952 C HIS B 46 9.936 10.925 -7.041 1.00 0.56 C ATOM 1953 O HIS B 46 10.567 10.289 -7.883 1.00 0.58 O ATOM 1954 CB HIS B 46 7.551 10.245 -6.667 1.00 0.59 C ATOM 1955 CG HIS B 46 7.370 9.370 -7.873 1.00 0.70 C ATOM 1956 ND1 HIS B 46 7.176 9.870 -9.142 1.00 0.94 N ATOM 1957 CD2 HIS B 46 7.340 8.022 -7.994 1.00 0.81 C ATOM 1958 CE1 HIS B 46 7.030 8.870 -9.991 1.00 1.07 C ATOM 1959 NE2 HIS B 46 7.127 7.741 -9.320 1.00 0.99 N ATOM 0 H HIS B 46 8.241 11.482 -4.588 1.00 0.52 H new ATOM 0 HA HIS B 46 9.283 9.178 -5.994 1.00 0.55 H new ATOM 0 HB2 HIS B 46 6.850 9.932 -5.893 1.00 0.59 H new ATOM 0 HB3 HIS B 46 7.296 11.271 -6.932 1.00 0.59 H new ATOM 0 HD2 HIS B 46 7.461 7.303 -7.197 1.00 0.81 H new ATOM 0 HE1 HIS B 46 6.860 8.962 -11.054 1.00 1.07 H new ATOM 0 HE2 HIS B 46 7.055 6.806 -9.722 1.00 0.99 H new ATOM 1968 N THR B 47 10.119 12.225 -6.835 1.00 0.59 N ATOM 1969 CA THR B 47 11.089 12.992 -7.606 1.00 0.64 C ATOM 1970 C THR B 47 12.500 12.592 -7.197 1.00 0.62 C ATOM 1971 O THR B 47 13.363 12.355 -8.042 1.00 0.65 O ATOM 1972 CB THR B 47 10.911 14.509 -7.408 1.00 0.71 C ATOM 1973 OG1 THR B 47 9.521 14.828 -7.232 1.00 0.85 O ATOM 1974 CG2 THR B 47 11.459 15.277 -8.601 1.00 0.79 C ATOM 0 H THR B 47 9.608 12.769 -6.140 1.00 0.59 H new ATOM 0 HA THR B 47 10.923 12.769 -8.660 1.00 0.64 H new ATOM 0 HB THR B 47 11.466 14.800 -6.516 1.00 0.71 H new ATOM 0 HG1 THR B 47 9.192 14.412 -6.408 1.00 0.85 H new ATOM 0 HG21 THR B 47 11.323 16.346 -8.439 1.00 0.79 H new ATOM 0 HG22 THR B 47 12.521 15.060 -8.717 1.00 0.79 H new ATOM 0 HG23 THR B 47 10.927 14.976 -9.503 1.00 0.79 H new ATOM 1982 N ARG B 48 12.682 12.400 -5.897 1.00 0.59 N ATOM 1983 CA ARG B 48 13.940 11.908 -5.364 1.00 0.61 C ATOM 1984 C ARG B 48 14.222 10.516 -5.902 1.00 0.54 C ATOM 1985 O ARG B 48 15.339 10.210 -6.316 1.00 0.56 O ATOM 1986 CB ARG B 48 13.889 11.866 -3.841 1.00 0.66 C ATOM 1987 CG ARG B 48 15.170 12.338 -3.183 1.00 0.93 C ATOM 1988 CD ARG B 48 15.355 13.833 -3.359 1.00 1.46 C ATOM 1989 NE ARG B 48 14.685 14.598 -2.308 1.00 1.67 N ATOM 1990 CZ ARG B 48 15.311 15.099 -1.250 1.00 1.70 C ATOM 1991 NH1 ARG B 48 16.612 14.901 -1.081 1.00 1.82 N ATOM 1992 NH2 ARG B 48 14.628 15.798 -0.353 1.00 2.26 N ATOM 0 H ARG B 48 11.968 12.580 -5.191 1.00 0.59 H new ATOM 0 HA ARG B 48 14.737 12.584 -5.674 1.00 0.61 H new ATOM 0 HB2 ARG B 48 13.062 12.486 -3.495 1.00 0.66 H new ATOM 0 HB3 ARG B 48 13.679 10.846 -3.520 1.00 0.66 H new ATOM 0 HG2 ARG B 48 15.149 12.094 -2.121 1.00 0.93 H new ATOM 0 HG3 ARG B 48 16.020 11.810 -3.615 1.00 0.93 H new ATOM 0 HD2 ARG B 48 16.419 14.069 -3.356 1.00 1.46 H new ATOM 0 HD3 ARG B 48 14.964 14.134 -4.331 1.00 1.46 H new ATOM 0 HE ARG B 48 13.681 14.755 -2.393 1.00 1.67 H new ATOM 0 HH11 ARG B 48 17.139 14.360 -1.767 1.00 1.82 H new ATOM 0 HH12 ARG B 48 17.085 15.290 -0.265 1.00 1.82 H new ATOM 0 HH21 ARG B 48 13.627 15.948 -0.478 1.00 2.26 H new ATOM 0 HH22 ARG B 48 15.104 16.185 0.462 1.00 2.26 H new ATOM 2006 N PHE B 49 13.184 9.689 -5.924 1.00 0.49 N ATOM 2007 CA PHE B 49 13.291 8.333 -6.435 1.00 0.45 C ATOM 2008 C PHE B 49 13.702 8.340 -7.903 1.00 0.47 C ATOM 2009 O PHE B 49 14.564 7.568 -8.318 1.00 0.48 O ATOM 2010 CB PHE B 49 11.961 7.599 -6.269 1.00 0.48 C ATOM 2011 CG PHE B 49 12.117 6.166 -5.844 1.00 0.38 C ATOM 2012 CD1 PHE B 49 13.324 5.710 -5.340 1.00 0.83 C ATOM 2013 CD2 PHE B 49 11.062 5.278 -5.953 1.00 1.06 C ATOM 2014 CE1 PHE B 49 13.475 4.397 -4.955 1.00 0.87 C ATOM 2015 CE2 PHE B 49 11.206 3.962 -5.569 1.00 1.27 C ATOM 2016 CZ PHE B 49 12.417 3.520 -5.071 1.00 0.85 C ATOM 0 H PHE B 49 12.253 9.939 -5.591 1.00 0.49 H new ATOM 0 HA PHE B 49 14.059 7.812 -5.863 1.00 0.45 H new ATOM 0 HB2 PHE B 49 11.354 8.125 -5.531 1.00 0.48 H new ATOM 0 HB3 PHE B 49 11.416 7.633 -7.212 1.00 0.48 H new ATOM 0 HD1 PHE B 49 14.156 6.392 -5.248 1.00 0.83 H new ATOM 0 HD2 PHE B 49 10.115 5.620 -6.343 1.00 1.06 H new ATOM 0 HE1 PHE B 49 14.421 4.054 -4.563 1.00 0.87 H new ATOM 0 HE2 PHE B 49 10.375 3.278 -5.657 1.00 1.27 H new ATOM 0 HZ PHE B 49 12.535 2.489 -4.773 1.00 0.85 H new ATOM 2026 N LYS B 50 13.114 9.251 -8.667 1.00 0.50 N ATOM 2027 CA LYS B 50 13.437 9.395 -10.080 1.00 0.54 C ATOM 2028 C LYS B 50 14.903 9.782 -10.261 1.00 0.53 C ATOM 2029 O LYS B 50 15.612 9.191 -11.076 1.00 0.52 O ATOM 2030 CB LYS B 50 12.531 10.443 -10.729 1.00 0.63 C ATOM 2031 CG LYS B 50 11.315 9.849 -11.422 1.00 0.91 C ATOM 2032 CD LYS B 50 11.685 9.194 -12.744 1.00 1.54 C ATOM 2033 CE LYS B 50 12.274 10.197 -13.724 1.00 2.02 C ATOM 2034 NZ LYS B 50 11.352 10.479 -14.856 1.00 2.55 N ATOM 0 H LYS B 50 12.407 9.904 -8.329 1.00 0.50 H new ATOM 0 HA LYS B 50 13.270 8.435 -10.569 1.00 0.54 H new ATOM 0 HB2 LYS B 50 12.197 11.146 -9.966 1.00 0.63 H new ATOM 0 HB3 LYS B 50 13.111 11.013 -11.455 1.00 0.63 H new ATOM 0 HG2 LYS B 50 10.848 9.112 -10.769 1.00 0.91 H new ATOM 0 HG3 LYS B 50 10.578 10.632 -11.598 1.00 0.91 H new ATOM 0 HD2 LYS B 50 12.404 8.395 -12.565 1.00 1.54 H new ATOM 0 HD3 LYS B 50 10.799 8.734 -13.182 1.00 1.54 H new ATOM 0 HE2 LYS B 50 12.499 11.126 -13.200 1.00 2.02 H new ATOM 0 HE3 LYS B 50 13.217 9.813 -14.112 1.00 2.02 H new ATOM 0 HZ1 LYS B 50 11.793 11.167 -15.499 1.00 2.55 H new ATOM 0 HZ2 LYS B 50 11.157 9.598 -15.372 1.00 2.55 H new ATOM 0 HZ3 LYS B 50 10.461 10.870 -14.489 1.00 2.55 H new ATOM 2048 N ALA B 51 15.357 10.736 -9.459 1.00 0.56 N ATOM 2049 CA ALA B 51 16.742 11.185 -9.507 1.00 0.61 C ATOM 2050 C ALA B 51 17.697 10.064 -9.094 1.00 0.57 C ATOM 2051 O ALA B 51 18.706 9.813 -9.758 1.00 0.58 O ATOM 2052 CB ALA B 51 16.930 12.399 -8.609 1.00 0.71 C ATOM 0 H ALA B 51 14.784 11.215 -8.765 1.00 0.56 H new ATOM 0 HA ALA B 51 16.975 11.465 -10.534 1.00 0.61 H new ATOM 0 HB1 ALA B 51 17.969 12.726 -8.652 1.00 0.71 H new ATOM 0 HB2 ALA B 51 16.281 13.206 -8.948 1.00 0.71 H new ATOM 0 HB3 ALA B 51 16.675 12.135 -7.583 1.00 0.71 H new ATOM 2058 N ALA B 52 17.377 9.402 -7.990 1.00 0.55 N ATOM 2059 CA ALA B 52 18.217 8.339 -7.462 1.00 0.59 C ATOM 2060 C ALA B 52 18.289 7.145 -8.412 1.00 0.51 C ATOM 2061 O ALA B 52 19.373 6.645 -8.700 1.00 0.54 O ATOM 2062 CB ALA B 52 17.717 7.899 -6.097 1.00 0.67 C ATOM 0 H ALA B 52 16.537 9.585 -7.441 1.00 0.55 H new ATOM 0 HA ALA B 52 19.226 8.738 -7.361 1.00 0.59 H new ATOM 0 HB1 ALA B 52 18.356 7.103 -5.715 1.00 0.67 H new ATOM 0 HB2 ALA B 52 17.742 8.745 -5.410 1.00 0.67 H new ATOM 0 HB3 ALA B 52 16.694 7.533 -6.185 1.00 0.67 H new ATOM 2068 N CYS B 53 17.138 6.696 -8.909 1.00 0.48 N ATOM 2069 CA CYS B 53 17.106 5.549 -9.814 1.00 0.53 C ATOM 2070 C CYS B 53 17.775 5.889 -11.143 1.00 0.50 C ATOM 2071 O CYS B 53 18.319 5.011 -11.814 1.00 0.56 O ATOM 2072 CB CYS B 53 15.669 5.071 -10.045 1.00 0.68 C ATOM 2073 SG CYS B 53 14.645 6.209 -11.000 1.00 1.15 S ATOM 0 H CYS B 53 16.226 7.103 -8.704 1.00 0.48 H new ATOM 0 HA CYS B 53 17.663 4.738 -9.345 1.00 0.53 H new ATOM 0 HB2 CYS B 53 15.698 4.110 -10.559 1.00 0.68 H new ATOM 0 HB3 CYS B 53 15.196 4.902 -9.078 1.00 0.68 H new ATOM 0 HG CYS B 53 15.222 7.373 -11.052 1.00 1.15 H new ATOM 2079 N ALA B 54 17.800 7.175 -11.479 1.00 0.51 N ATOM 2080 CA ALA B 54 18.495 7.636 -12.673 1.00 0.59 C ATOM 2081 C ALA B 54 20.001 7.542 -12.468 1.00 0.59 C ATOM 2082 O ALA B 54 20.724 7.026 -13.321 1.00 0.70 O ATOM 2083 CB ALA B 54 18.096 9.062 -13.013 1.00 0.69 C ATOM 0 H ALA B 54 17.347 7.914 -10.941 1.00 0.51 H new ATOM 0 HA ALA B 54 18.210 6.996 -13.508 1.00 0.59 H new ATOM 0 HB1 ALA B 54 18.628 9.385 -13.908 1.00 0.69 H new ATOM 0 HB2 ALA B 54 17.022 9.106 -13.193 1.00 0.69 H new ATOM 0 HB3 ALA B 54 18.352 9.719 -12.182 1.00 0.69 H new ATOM 2089 N ARG B 55 20.454 7.974 -11.297 1.00 0.55 N ATOM 2090 CA ARG B 55 21.864 7.892 -10.936 1.00 0.64 C ATOM 2091 C ARG B 55 22.307 6.439 -10.833 1.00 0.59 C ATOM 2092 O ARG B 55 23.411 6.083 -11.242 1.00 0.76 O ATOM 2093 CB ARG B 55 22.123 8.605 -9.607 1.00 0.72 C ATOM 2094 CG ARG B 55 22.806 9.951 -9.765 1.00 1.03 C ATOM 2095 CD ARG B 55 24.311 9.806 -9.922 1.00 1.37 C ATOM 2096 NE ARG B 55 24.790 10.396 -11.174 1.00 1.97 N ATOM 2097 CZ ARG B 55 24.883 11.712 -11.401 1.00 2.64 C ATOM 2098 NH1 ARG B 55 24.592 12.584 -10.443 1.00 2.89 N ATOM 2099 NH2 ARG B 55 25.282 12.156 -12.589 1.00 3.60 N ATOM 0 H ARG B 55 19.861 8.387 -10.577 1.00 0.55 H new ATOM 0 HA ARG B 55 22.441 8.384 -11.719 1.00 0.64 H new ATOM 0 HB2 ARG B 55 21.175 8.746 -9.089 1.00 0.72 H new ATOM 0 HB3 ARG B 55 22.739 7.966 -8.975 1.00 0.72 H new ATOM 0 HG2 ARG B 55 22.398 10.466 -10.635 1.00 1.03 H new ATOM 0 HG3 ARG B 55 22.589 10.573 -8.896 1.00 1.03 H new ATOM 0 HD2 ARG B 55 24.811 10.285 -9.080 1.00 1.37 H new ATOM 0 HD3 ARG B 55 24.579 8.750 -9.893 1.00 1.37 H new ATOM 0 HE ARG B 55 25.071 9.762 -11.922 1.00 1.97 H new ATOM 0 HH11 ARG B 55 24.295 12.253 -9.525 1.00 2.89 H new ATOM 0 HH12 ARG B 55 24.666 13.585 -10.625 1.00 2.89 H new ATOM 0 HH21 ARG B 55 25.517 11.494 -13.328 1.00 3.60 H new ATOM 0 HH22 ARG B 55 25.353 13.159 -12.761 1.00 3.60 H new ATOM 2113 N LYS B 56 21.443 5.610 -10.261 1.00 0.47 N ATOM 2114 CA LYS B 56 21.734 4.197 -10.076 1.00 0.52 C ATOM 2115 C LYS B 56 21.584 3.431 -11.387 1.00 0.51 C ATOM 2116 O LYS B 56 22.081 2.316 -11.521 1.00 0.60 O ATOM 2117 CB LYS B 56 20.805 3.603 -9.013 1.00 0.61 C ATOM 2118 CG LYS B 56 21.126 4.058 -7.598 1.00 0.74 C ATOM 2119 CD LYS B 56 22.343 3.337 -7.041 1.00 0.91 C ATOM 2120 CE LYS B 56 22.705 3.850 -5.656 1.00 1.62 C ATOM 2121 NZ LYS B 56 23.591 2.909 -4.921 1.00 1.85 N ATOM 0 H LYS B 56 20.527 5.897 -9.915 1.00 0.47 H new ATOM 0 HA LYS B 56 22.767 4.104 -9.742 1.00 0.52 H new ATOM 0 HB2 LYS B 56 19.776 3.876 -9.248 1.00 0.61 H new ATOM 0 HB3 LYS B 56 20.864 2.516 -9.058 1.00 0.61 H new ATOM 0 HG2 LYS B 56 21.305 5.133 -7.593 1.00 0.74 H new ATOM 0 HG3 LYS B 56 20.267 3.875 -6.953 1.00 0.74 H new ATOM 0 HD2 LYS B 56 22.144 2.266 -6.994 1.00 0.91 H new ATOM 0 HD3 LYS B 56 23.189 3.474 -7.714 1.00 0.91 H new ATOM 0 HE2 LYS B 56 23.200 4.817 -5.747 1.00 1.62 H new ATOM 0 HE3 LYS B 56 21.793 4.012 -5.081 1.00 1.62 H new ATOM 0 HZ1 LYS B 56 23.811 3.300 -3.983 1.00 1.85 H new ATOM 0 HZ2 LYS B 56 23.110 1.994 -4.810 1.00 1.85 H new ATOM 0 HZ3 LYS B 56 24.473 2.774 -5.455 1.00 1.85 H new ATOM 2135 N GLY B 57 20.876 4.031 -12.340 1.00 0.46 N ATOM 2136 CA GLY B 57 20.641 3.386 -13.618 1.00 0.51 C ATOM 2137 C GLY B 57 19.814 2.129 -13.471 1.00 0.59 C ATOM 2138 O GLY B 57 20.257 1.041 -13.835 1.00 0.75 O ATOM 0 H GLY B 57 20.459 4.957 -12.248 1.00 0.46 H new ATOM 0 HA2 GLY B 57 20.131 4.080 -14.287 1.00 0.51 H new ATOM 0 HA3 GLY B 57 21.596 3.140 -14.082 1.00 0.51 H new ATOM 2142 N THR B 58 18.663 2.261 -12.830 1.00 0.63 N ATOM 2143 CA THR B 58 17.841 1.109 -12.514 1.00 0.77 C ATOM 2144 C THR B 58 16.347 1.466 -12.566 1.00 0.62 C ATOM 2145 O THR B 58 15.983 2.646 -12.557 1.00 0.57 O ATOM 2146 CB THR B 58 18.242 0.552 -11.125 1.00 1.02 C ATOM 2147 OG1 THR B 58 18.271 -0.882 -11.145 1.00 1.92 O ATOM 2148 CG2 THR B 58 17.313 1.040 -10.025 1.00 0.92 C ATOM 0 H THR B 58 18.280 3.154 -12.520 1.00 0.63 H new ATOM 0 HA THR B 58 18.011 0.335 -13.262 1.00 0.77 H new ATOM 0 HB THR B 58 19.241 0.927 -10.905 1.00 1.02 H new ATOM 0 HG1 THR B 58 17.419 -1.222 -11.490 1.00 1.92 H new ATOM 0 HG21 THR B 58 17.632 0.625 -9.069 1.00 0.92 H new ATOM 0 HG22 THR B 58 17.346 2.128 -9.977 1.00 0.92 H new ATOM 0 HG23 THR B 58 16.294 0.717 -10.239 1.00 0.92 H new ATOM 2156 N SER B 59 15.499 0.443 -12.671 1.00 0.66 N ATOM 2157 CA SER B 59 14.054 0.627 -12.758 1.00 0.66 C ATOM 2158 C SER B 59 13.492 1.150 -11.440 1.00 0.62 C ATOM 2159 O SER B 59 13.912 0.720 -10.370 1.00 0.66 O ATOM 2160 CB SER B 59 13.381 -0.702 -13.125 1.00 0.78 C ATOM 2161 OG SER B 59 14.327 -1.758 -13.168 1.00 0.87 O ATOM 0 H SER B 59 15.795 -0.533 -12.698 1.00 0.66 H new ATOM 0 HA SER B 59 13.846 1.363 -13.534 1.00 0.66 H new ATOM 0 HB2 SER B 59 12.605 -0.934 -12.395 1.00 0.78 H new ATOM 0 HB3 SER B 59 12.890 -0.609 -14.094 1.00 0.78 H new ATOM 0 HG SER B 59 14.665 -1.932 -12.265 1.00 0.87 H new ATOM 2167 N ILE B 60 12.556 2.095 -11.534 1.00 0.66 N ATOM 2168 CA ILE B 60 11.967 2.741 -10.362 1.00 0.73 C ATOM 2169 C ILE B 60 11.346 1.730 -9.390 1.00 0.76 C ATOM 2170 O ILE B 60 11.272 1.975 -8.187 1.00 0.85 O ATOM 2171 CB ILE B 60 10.908 3.793 -10.779 1.00 0.85 C ATOM 2172 CG1 ILE B 60 10.575 4.721 -9.608 1.00 0.97 C ATOM 2173 CG2 ILE B 60 9.646 3.124 -11.308 1.00 1.00 C ATOM 2174 CD1 ILE B 60 10.820 6.184 -9.908 1.00 0.91 C ATOM 0 H ILE B 60 12.186 2.433 -12.422 1.00 0.66 H new ATOM 0 HA ILE B 60 12.783 3.243 -9.842 1.00 0.73 H new ATOM 0 HB ILE B 60 11.333 4.393 -11.584 1.00 0.85 H new ATOM 0 HG12 ILE B 60 9.529 4.585 -9.333 1.00 0.97 H new ATOM 0 HG13 ILE B 60 11.172 4.431 -8.744 1.00 0.97 H new ATOM 0 HG21 ILE B 60 8.922 3.887 -11.593 1.00 1.00 H new ATOM 0 HG22 ILE B 60 9.894 2.516 -12.178 1.00 1.00 H new ATOM 0 HG23 ILE B 60 9.218 2.489 -10.532 1.00 1.00 H new ATOM 0 HD11 ILE B 60 10.563 6.783 -9.034 1.00 0.91 H new ATOM 0 HD12 ILE B 60 11.871 6.334 -10.154 1.00 0.91 H new ATOM 0 HD13 ILE B 60 10.203 6.491 -10.752 1.00 0.91 H new ATOM 2186 N THR B 61 10.924 0.588 -9.903 1.00 0.79 N ATOM 2187 CA THR B 61 10.327 -0.435 -9.066 1.00 0.85 C ATOM 2188 C THR B 61 11.399 -1.311 -8.401 1.00 0.77 C ATOM 2189 O THR B 61 11.244 -1.766 -7.261 1.00 0.75 O ATOM 2190 CB THR B 61 9.385 -1.320 -9.894 1.00 1.01 C ATOM 2191 OG1 THR B 61 9.454 -0.941 -11.279 1.00 1.12 O ATOM 2192 CG2 THR B 61 7.955 -1.192 -9.395 1.00 1.14 C ATOM 0 H THR B 61 10.984 0.347 -10.892 1.00 0.79 H new ATOM 0 HA THR B 61 9.760 0.070 -8.284 1.00 0.85 H new ATOM 0 HB THR B 61 9.699 -2.358 -9.786 1.00 1.01 H new ATOM 0 HG1 THR B 61 8.853 -1.509 -11.804 1.00 1.12 H new ATOM 0 HG21 THR B 61 7.302 -1.827 -9.994 1.00 1.14 H new ATOM 0 HG22 THR B 61 7.905 -1.503 -8.351 1.00 1.14 H new ATOM 0 HG23 THR B 61 7.631 -0.155 -9.481 1.00 1.14 H new ATOM 2200 N ASP B 62 12.494 -1.546 -9.113 1.00 0.74 N ATOM 2201 CA ASP B 62 13.550 -2.410 -8.599 1.00 0.73 C ATOM 2202 C ASP B 62 14.442 -1.669 -7.607 1.00 0.62 C ATOM 2203 O ASP B 62 15.036 -2.298 -6.730 1.00 0.61 O ATOM 2204 CB ASP B 62 14.353 -3.051 -9.749 1.00 0.82 C ATOM 2205 CG ASP B 62 15.707 -2.422 -10.013 1.00 1.16 C ATOM 2206 OD1 ASP B 62 16.591 -2.544 -9.146 1.00 1.81 O ATOM 2207 OD2 ASP B 62 15.883 -1.768 -11.061 1.00 1.68 O ATOM 0 H ASP B 62 12.674 -1.156 -10.038 1.00 0.74 H new ATOM 0 HA ASP B 62 13.081 -3.225 -8.048 1.00 0.73 H new ATOM 0 HB2 ASP B 62 14.497 -4.108 -9.526 1.00 0.82 H new ATOM 0 HB3 ASP B 62 13.759 -2.996 -10.661 1.00 0.82 H new ATOM 2212 N VAL B 63 14.361 -0.338 -7.584 1.00 0.60 N ATOM 2213 CA VAL B 63 15.009 0.407 -6.504 1.00 0.57 C ATOM 2214 C VAL B 63 14.251 0.171 -5.212 1.00 0.56 C ATOM 2215 O VAL B 63 14.859 0.036 -4.156 1.00 0.59 O ATOM 2216 CB VAL B 63 15.114 1.928 -6.734 1.00 0.62 C ATOM 2217 CG1 VAL B 63 16.566 2.341 -6.855 1.00 0.81 C ATOM 2218 CG2 VAL B 63 14.333 2.372 -7.949 1.00 1.01 C ATOM 0 H VAL B 63 13.871 0.230 -8.275 1.00 0.60 H new ATOM 0 HA VAL B 63 16.031 0.031 -6.463 1.00 0.57 H new ATOM 0 HB VAL B 63 14.674 2.423 -5.868 1.00 0.62 H new ATOM 0 HG11 VAL B 63 16.626 3.417 -7.017 1.00 0.81 H new ATOM 0 HG12 VAL B 63 17.096 2.082 -5.938 1.00 0.81 H new ATOM 0 HG13 VAL B 63 17.023 1.821 -7.697 1.00 0.81 H new ATOM 0 HG21 VAL B 63 14.435 3.450 -8.073 1.00 1.01 H new ATOM 0 HG22 VAL B 63 14.719 1.867 -8.834 1.00 1.01 H new ATOM 0 HG23 VAL B 63 13.281 2.120 -7.817 1.00 1.01 H new ATOM 2228 N VAL B 64 12.942 -0.047 -5.329 1.00 0.55 N ATOM 2229 CA VAL B 64 12.138 -0.439 -4.179 1.00 0.56 C ATOM 2230 C VAL B 64 12.631 -1.781 -3.662 1.00 0.55 C ATOM 2231 O VAL B 64 12.938 -1.927 -2.483 1.00 0.57 O ATOM 2232 CB VAL B 64 10.633 -0.545 -4.511 1.00 0.57 C ATOM 2233 CG1 VAL B 64 9.818 -0.727 -3.241 1.00 0.73 C ATOM 2234 CG2 VAL B 64 10.155 0.679 -5.280 1.00 0.67 C ATOM 0 H VAL B 64 12.422 0.041 -6.202 1.00 0.55 H new ATOM 0 HA VAL B 64 12.250 0.338 -3.423 1.00 0.56 H new ATOM 0 HB VAL B 64 10.489 -1.420 -5.145 1.00 0.57 H new ATOM 0 HG11 VAL B 64 8.760 -0.800 -3.495 1.00 0.73 H new ATOM 0 HG12 VAL B 64 10.133 -1.639 -2.734 1.00 0.73 H new ATOM 0 HG13 VAL B 64 9.975 0.127 -2.582 1.00 0.73 H new ATOM 0 HG21 VAL B 64 9.092 0.578 -5.501 1.00 0.67 H new ATOM 0 HG22 VAL B 64 10.317 1.573 -4.678 1.00 0.67 H new ATOM 0 HG23 VAL B 64 10.713 0.763 -6.213 1.00 0.67 H new ATOM 2244 N ASN B 65 12.852 -2.708 -4.584 1.00 0.55 N ATOM 2245 CA ASN B 65 13.453 -4.000 -4.236 1.00 0.56 C ATOM 2246 C ASN B 65 14.808 -3.812 -3.534 1.00 0.56 C ATOM 2247 O ASN B 65 15.153 -4.561 -2.618 1.00 0.56 O ATOM 2248 CB ASN B 65 13.628 -4.857 -5.496 1.00 0.58 C ATOM 2249 CG ASN B 65 14.398 -6.138 -5.232 1.00 0.77 C ATOM 2250 OD1 ASN B 65 13.986 -6.968 -4.422 1.00 0.86 O ATOM 2251 ND2 ASN B 65 15.524 -6.305 -5.906 1.00 1.46 N ATOM 0 H ASN B 65 12.628 -2.597 -5.573 1.00 0.55 H new ATOM 0 HA ASN B 65 12.781 -4.510 -3.545 1.00 0.56 H new ATOM 0 HB2 ASN B 65 12.647 -5.105 -5.901 1.00 0.58 H new ATOM 0 HB3 ASN B 65 14.149 -4.275 -6.256 1.00 0.58 H new ATOM 0 HD21 ASN B 65 16.084 -7.145 -5.763 1.00 1.46 H new ATOM 0 HD22 ASN B 65 15.832 -5.594 -6.569 1.00 1.46 H new ATOM 2258 N GLN B 66 15.556 -2.798 -3.958 1.00 0.58 N ATOM 2259 CA GLN B 66 16.875 -2.512 -3.397 1.00 0.60 C ATOM 2260 C GLN B 66 16.782 -1.919 -1.990 1.00 0.58 C ATOM 2261 O GLN B 66 17.558 -2.285 -1.108 1.00 0.61 O ATOM 2262 CB GLN B 66 17.641 -1.558 -4.308 1.00 0.65 C ATOM 2263 CG GLN B 66 18.678 -2.251 -5.174 1.00 0.84 C ATOM 2264 CD GLN B 66 20.070 -1.681 -4.986 1.00 1.25 C ATOM 2265 OE1 GLN B 66 20.691 -1.860 -3.940 1.00 2.01 O ATOM 2266 NE2 GLN B 66 20.569 -0.994 -6.002 1.00 1.70 N ATOM 0 H GLN B 66 15.269 -2.154 -4.695 1.00 0.58 H new ATOM 0 HA GLN B 66 17.409 -3.459 -3.326 1.00 0.60 H new ATOM 0 HB2 GLN B 66 16.933 -1.035 -4.951 1.00 0.65 H new ATOM 0 HB3 GLN B 66 18.135 -0.803 -3.697 1.00 0.65 H new ATOM 0 HG2 GLN B 66 18.690 -3.315 -4.938 1.00 0.84 H new ATOM 0 HG3 GLN B 66 18.391 -2.160 -6.221 1.00 0.84 H new ATOM 0 HE21 GLN B 66 20.019 -0.869 -6.852 1.00 1.70 H new ATOM 0 HE22 GLN B 66 21.503 -0.589 -5.934 1.00 1.70 H new ATOM 2275 N LEU B 67 15.858 -0.986 -1.777 1.00 0.55 N ATOM 2276 CA LEU B 67 15.726 -0.374 -0.458 1.00 0.55 C ATOM 2277 C LEU B 67 15.178 -1.385 0.536 1.00 0.50 C ATOM 2278 O LEU B 67 15.636 -1.457 1.678 1.00 0.50 O ATOM 2279 CB LEU B 67 14.846 0.880 -0.466 1.00 0.57 C ATOM 2280 CG LEU B 67 13.760 0.942 -1.529 1.00 0.64 C ATOM 2281 CD1 LEU B 67 12.405 0.652 -0.915 1.00 0.97 C ATOM 2282 CD2 LEU B 67 13.764 2.307 -2.197 1.00 0.67 C ATOM 0 H LEU B 67 15.204 -0.644 -2.481 1.00 0.55 H new ATOM 0 HA LEU B 67 16.725 -0.060 -0.157 1.00 0.55 H new ATOM 0 HB2 LEU B 67 14.372 0.970 0.511 1.00 0.57 H new ATOM 0 HB3 LEU B 67 15.492 1.749 -0.588 1.00 0.57 H new ATOM 0 HG LEU B 67 13.962 0.184 -2.285 1.00 0.64 H new ATOM 0 HD11 LEU B 67 11.638 0.700 -1.688 1.00 0.97 H new ATOM 0 HD12 LEU B 67 12.412 -0.344 -0.472 1.00 0.97 H new ATOM 0 HD13 LEU B 67 12.190 1.391 -0.143 1.00 0.97 H new ATOM 0 HD21 LEU B 67 12.983 2.343 -2.957 1.00 0.67 H new ATOM 0 HD22 LEU B 67 13.578 3.078 -1.450 1.00 0.67 H new ATOM 0 HD23 LEU B 67 14.733 2.480 -2.664 1.00 0.67 H new ATOM 2294 N VAL B 68 14.287 -2.249 0.059 1.00 0.48 N ATOM 2295 CA VAL B 68 13.786 -3.340 0.876 1.00 0.45 C ATOM 2296 C VAL B 68 14.915 -4.303 1.196 1.00 0.42 C ATOM 2297 O VAL B 68 14.988 -4.829 2.293 1.00 0.40 O ATOM 2298 CB VAL B 68 12.643 -4.120 0.192 1.00 0.46 C ATOM 2299 CG1 VAL B 68 12.119 -5.212 1.110 1.00 0.99 C ATOM 2300 CG2 VAL B 68 11.516 -3.187 -0.212 1.00 1.07 C ATOM 0 H VAL B 68 13.901 -2.212 -0.884 1.00 0.48 H new ATOM 0 HA VAL B 68 13.387 -2.895 1.787 1.00 0.45 H new ATOM 0 HB VAL B 68 13.043 -4.584 -0.710 1.00 0.46 H new ATOM 0 HG11 VAL B 68 11.314 -5.751 0.611 1.00 0.99 H new ATOM 0 HG12 VAL B 68 12.926 -5.905 1.349 1.00 0.99 H new ATOM 0 HG13 VAL B 68 11.741 -4.764 2.029 1.00 0.99 H new ATOM 0 HG21 VAL B 68 10.723 -3.761 -0.692 1.00 1.07 H new ATOM 0 HG22 VAL B 68 11.120 -2.690 0.674 1.00 1.07 H new ATOM 0 HG23 VAL B 68 11.895 -2.439 -0.908 1.00 1.07 H new ATOM 2310 N ASP B 69 15.838 -4.459 0.252 1.00 0.47 N ATOM 2311 CA ASP B 69 17.011 -5.303 0.456 1.00 0.49 C ATOM 2312 C ASP B 69 17.801 -4.838 1.662 1.00 0.48 C ATOM 2313 O ASP B 69 18.102 -5.618 2.564 1.00 0.49 O ATOM 2314 CB ASP B 69 17.921 -5.262 -0.764 1.00 0.60 C ATOM 2315 CG ASP B 69 17.827 -6.518 -1.601 1.00 0.84 C ATOM 2316 OD1 ASP B 69 17.386 -7.555 -1.071 1.00 1.09 O ATOM 2317 OD2 ASP B 69 18.191 -6.475 -2.795 1.00 1.46 O ATOM 0 H ASP B 69 15.796 -4.011 -0.663 1.00 0.47 H new ATOM 0 HA ASP B 69 16.659 -6.322 0.618 1.00 0.49 H new ATOM 0 HB2 ASP B 69 17.661 -4.400 -1.378 1.00 0.60 H new ATOM 0 HB3 ASP B 69 18.952 -5.122 -0.439 1.00 0.60 H new ATOM 2322 N ASN B 70 18.138 -3.558 1.665 1.00 0.55 N ATOM 2323 CA ASN B 70 18.894 -2.966 2.754 1.00 0.61 C ATOM 2324 C ASN B 70 18.149 -3.123 4.076 1.00 0.56 C ATOM 2325 O ASN B 70 18.688 -3.655 5.044 1.00 0.60 O ATOM 2326 CB ASN B 70 19.163 -1.488 2.463 1.00 0.74 C ATOM 2327 CG ASN B 70 20.019 -0.832 3.526 1.00 1.37 C ATOM 2328 OD1 ASN B 70 19.547 0.024 4.272 1.00 1.88 O ATOM 2329 ND2 ASN B 70 21.281 -1.223 3.602 1.00 2.19 N ATOM 0 H ASN B 70 17.897 -2.906 0.919 1.00 0.55 H new ATOM 0 HA ASN B 70 19.848 -3.487 2.838 1.00 0.61 H new ATOM 0 HB2 ASN B 70 19.657 -1.396 1.496 1.00 0.74 H new ATOM 0 HB3 ASN B 70 18.214 -0.958 2.388 1.00 0.74 H new ATOM 0 HD21 ASN B 70 21.902 -0.811 4.299 1.00 2.19 H new ATOM 0 HD22 ASN B 70 21.633 -1.936 2.964 1.00 2.19 H new ATOM 2336 N TRP B 71 16.883 -2.727 4.079 1.00 0.54 N ATOM 2337 CA TRP B 71 16.044 -2.836 5.265 1.00 0.54 C ATOM 2338 C TRP B 71 15.913 -4.287 5.736 1.00 0.47 C ATOM 2339 O TRP B 71 16.177 -4.599 6.894 1.00 0.53 O ATOM 2340 CB TRP B 71 14.656 -2.262 4.971 1.00 0.57 C ATOM 2341 CG TRP B 71 13.745 -2.264 6.163 1.00 0.64 C ATOM 2342 CD1 TRP B 71 13.703 -1.332 7.152 1.00 0.81 C ATOM 2343 CD2 TRP B 71 12.747 -3.241 6.490 1.00 0.61 C ATOM 2344 NE1 TRP B 71 12.749 -1.669 8.081 1.00 0.86 N ATOM 2345 CE2 TRP B 71 12.147 -2.834 7.697 1.00 0.75 C ATOM 2346 CE3 TRP B 71 12.301 -4.415 5.880 1.00 0.53 C ATOM 2347 CZ2 TRP B 71 11.130 -3.564 8.307 1.00 0.80 C ATOM 2348 CZ3 TRP B 71 11.293 -5.138 6.485 1.00 0.62 C ATOM 2349 CH2 TRP B 71 10.713 -4.710 7.687 1.00 0.74 C ATOM 0 H TRP B 71 16.412 -2.325 3.268 1.00 0.54 H new ATOM 0 HA TRP B 71 16.520 -2.267 6.064 1.00 0.54 H new ATOM 0 HB2 TRP B 71 14.763 -1.240 4.607 1.00 0.57 H new ATOM 0 HB3 TRP B 71 14.195 -2.839 4.170 1.00 0.57 H new ATOM 0 HD1 TRP B 71 14.329 -0.453 7.200 1.00 0.81 H new ATOM 0 HE1 TRP B 71 12.526 -1.136 8.922 1.00 0.86 H new ATOM 0 HE3 TRP B 71 12.737 -4.751 4.951 1.00 0.53 H new ATOM 0 HZ2 TRP B 71 10.687 -3.237 9.236 1.00 0.80 H new ATOM 0 HZ3 TRP B 71 10.945 -6.050 6.024 1.00 0.62 H new ATOM 0 HH2 TRP B 71 9.922 -5.296 8.132 1.00 0.74 H new ATOM 2360 N LEU B 72 15.415 -5.136 4.853 1.00 0.42 N ATOM 2361 CA LEU B 72 15.103 -6.525 5.171 1.00 0.44 C ATOM 2362 C LEU B 72 16.274 -7.249 5.818 1.00 0.55 C ATOM 2363 O LEU B 72 16.102 -7.976 6.795 1.00 0.65 O ATOM 2364 CB LEU B 72 14.713 -7.262 3.892 1.00 0.50 C ATOM 2365 CG LEU B 72 13.652 -8.340 4.056 1.00 0.47 C ATOM 2366 CD1 LEU B 72 12.280 -7.782 3.724 1.00 0.58 C ATOM 2367 CD2 LEU B 72 13.976 -9.533 3.172 1.00 0.60 C ATOM 0 H LEU B 72 15.213 -4.881 3.886 1.00 0.42 H new ATOM 0 HA LEU B 72 14.279 -6.518 5.884 1.00 0.44 H new ATOM 0 HB2 LEU B 72 14.355 -6.531 3.167 1.00 0.50 H new ATOM 0 HB3 LEU B 72 15.608 -7.719 3.469 1.00 0.50 H new ATOM 0 HG LEU B 72 13.644 -8.673 5.094 1.00 0.47 H new ATOM 0 HD11 LEU B 72 11.530 -8.564 3.845 1.00 0.58 H new ATOM 0 HD12 LEU B 72 12.052 -6.953 4.395 1.00 0.58 H new ATOM 0 HD13 LEU B 72 12.271 -7.428 2.693 1.00 0.58 H new ATOM 0 HD21 LEU B 72 13.210 -10.298 3.298 1.00 0.60 H new ATOM 0 HD22 LEU B 72 14.005 -9.216 2.129 1.00 0.60 H new ATOM 0 HD23 LEU B 72 14.946 -9.942 3.454 1.00 0.60 H new ATOM 2379 N LYS B 73 17.419 -7.173 5.172 1.00 0.63 N ATOM 2380 CA LYS B 73 18.560 -7.978 5.562 1.00 0.83 C ATOM 2381 C LYS B 73 19.316 -7.368 6.742 1.00 0.97 C ATOM 2382 O LYS B 73 20.041 -8.069 7.449 1.00 1.13 O ATOM 2383 CB LYS B 73 19.478 -8.161 4.359 1.00 0.96 C ATOM 2384 CG LYS B 73 18.711 -8.540 3.100 1.00 0.92 C ATOM 2385 CD LYS B 73 19.608 -8.556 1.871 1.00 1.16 C ATOM 2386 CE LYS B 73 19.289 -9.731 0.962 1.00 1.41 C ATOM 2387 NZ LYS B 73 19.274 -9.343 -0.474 1.00 1.79 N ATOM 0 H LYS B 73 17.585 -6.561 4.373 1.00 0.63 H new ATOM 0 HA LYS B 73 18.199 -8.951 5.896 1.00 0.83 H new ATOM 0 HB2 LYS B 73 20.030 -7.238 4.182 1.00 0.96 H new ATOM 0 HB3 LYS B 73 20.214 -8.934 4.580 1.00 0.96 H new ATOM 0 HG2 LYS B 73 18.259 -9.523 3.232 1.00 0.92 H new ATOM 0 HG3 LYS B 73 17.896 -7.833 2.945 1.00 0.92 H new ATOM 0 HD2 LYS B 73 19.486 -7.624 1.319 1.00 1.16 H new ATOM 0 HD3 LYS B 73 20.651 -8.608 2.182 1.00 1.16 H new ATOM 0 HE2 LYS B 73 20.027 -10.518 1.116 1.00 1.41 H new ATOM 0 HE3 LYS B 73 18.319 -10.146 1.235 1.00 1.41 H new ATOM 0 HZ1 LYS B 73 19.460 -10.181 -1.062 1.00 1.79 H new ATOM 0 HZ2 LYS B 73 18.343 -8.949 -0.717 1.00 1.79 H new ATOM 0 HZ3 LYS B 73 20.009 -8.628 -0.648 1.00 1.79 H new ATOM 2401 N GLU B 74 19.184 -6.059 6.931 1.00 0.99 N ATOM 2402 CA GLU B 74 19.908 -5.378 8.001 1.00 1.22 C ATOM 2403 C GLU B 74 19.061 -5.231 9.269 1.00 1.27 C ATOM 2404 O GLU B 74 19.591 -5.287 10.379 1.00 1.50 O ATOM 2405 CB GLU B 74 20.393 -4.008 7.531 1.00 1.37 C ATOM 2406 CG GLU B 74 21.562 -4.079 6.562 1.00 1.81 C ATOM 2407 CD GLU B 74 22.902 -3.905 7.243 1.00 2.23 C ATOM 2408 OE1 GLU B 74 22.923 -3.650 8.464 1.00 2.78 O ATOM 2409 OE2 GLU B 74 23.946 -4.029 6.566 1.00 2.51 O ATOM 0 H GLU B 74 18.590 -5.453 6.365 1.00 0.99 H new ATOM 0 HA GLU B 74 20.769 -5.998 8.251 1.00 1.22 H new ATOM 0 HB2 GLU B 74 19.566 -3.483 7.053 1.00 1.37 H new ATOM 0 HB3 GLU B 74 20.686 -3.418 8.399 1.00 1.37 H new ATOM 0 HG2 GLU B 74 21.543 -5.040 6.048 1.00 1.81 H new ATOM 0 HG3 GLU B 74 21.444 -3.308 5.801 1.00 1.81 H new ATOM 2416 N ASN B 75 17.762 -4.985 9.107 1.00 1.11 N ATOM 2417 CA ASN B 75 16.875 -4.752 10.256 1.00 1.21 C ATOM 2418 C ASN B 75 16.650 -6.029 11.064 1.00 1.14 C ATOM 2419 O ASN B 75 16.462 -5.974 12.282 1.00 1.29 O ATOM 2420 CB ASN B 75 15.525 -4.158 9.804 1.00 1.28 C ATOM 2421 CG ASN B 75 14.401 -5.186 9.733 1.00 1.61 C ATOM 2422 OD1 ASN B 75 13.689 -5.421 10.710 1.00 1.88 O ATOM 2423 ND2 ASN B 75 14.232 -5.797 8.570 1.00 1.97 N ATOM 0 H ASN B 75 17.298 -4.941 8.200 1.00 1.11 H new ATOM 0 HA ASN B 75 17.372 -4.029 10.903 1.00 1.21 H new ATOM 0 HB2 ASN B 75 15.237 -3.364 10.493 1.00 1.28 H new ATOM 0 HB3 ASN B 75 15.649 -3.699 8.823 1.00 1.28 H new ATOM 0 HD21 ASN B 75 13.491 -6.490 8.461 1.00 1.97 H new ATOM 0 HD22 ASN B 75 14.843 -5.575 7.784 1.00 1.97 H new ATOM 2430 N GLU B 76 16.695 -7.174 10.396 1.00 1.01 N ATOM 2431 CA GLU B 76 16.517 -8.451 11.072 1.00 1.08 C ATOM 2432 C GLU B 76 17.796 -8.831 11.809 1.00 1.38 C ATOM 2433 O GLU B 76 18.888 -8.633 11.236 1.00 1.93 O ATOM 2434 CB GLU B 76 16.137 -9.540 10.065 1.00 1.36 C ATOM 2435 CG GLU B 76 15.797 -10.876 10.707 1.00 1.88 C ATOM 2436 CD GLU B 76 14.513 -10.837 11.514 1.00 2.20 C ATOM 2437 OE1 GLU B 76 13.534 -10.213 11.054 1.00 2.67 O ATOM 2438 OE2 GLU B 76 14.481 -11.410 12.620 1.00 2.52 O ATOM 2439 OXT GLU B 76 17.710 -9.300 12.964 1.00 1.90 O ATOM 0 H GLU B 76 16.853 -7.244 9.391 1.00 1.01 H new ATOM 0 HA GLU B 76 15.708 -8.356 11.796 1.00 1.08 H new ATOM 0 HB2 GLU B 76 15.282 -9.200 9.481 1.00 1.36 H new ATOM 0 HB3 GLU B 76 16.963 -9.682 9.368 1.00 1.36 H new ATOM 0 HG2 GLU B 76 15.708 -11.634 9.929 1.00 1.88 H new ATOM 0 HG3 GLU B 76 16.618 -11.180 11.356 1.00 1.88 H new