USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 763 hydrogens (33 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 68 GLN : amide:sc= 0.131 K(o=0.13,f=-3.1!) USER MOD Set 1.2: A 69 GLN : amide:sc= 0 X(o=0.13,f=0.017) USER MOD Set 2.1: A 61 MET CE :methyl -163:sc= -0.0979 (180deg=-0.311) USER MOD Set 2.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0.774 K(o=0.77,f=-6.5!) USER MOD Single : A 30 LYS NZ :NH3+ -175:sc= 1.1 (180deg=1.07) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 43 GLN : amide:sc=-0.000565 K(o=-0.00057,f=-0.54) USER MOD Single : A 46 MET CE :methyl -169:sc= -0.0701 (180deg=-0.251) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -145:sc= -1.18 (180deg=-2.17) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.00049) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.696 K(o=0.7,f=-0.2) USER MOD Single : A 59 TYR OH : rot -177:sc= 1.26 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.725 K(o=0.73,f=-0.15) USER MOD Single : A 71 GLN : amide:sc= 0.697 K(o=0.7,f=-4.2!) USER MOD Single : A 72 HIS : no HD1:sc= 0.7 K(o=0.7,f=-5.3!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= -0.452 USER MOD Single : A 88 GLN : amide:sc= -0.345 K(o=-0.35,f=-1.6!) USER MOD Single : A 89 SER OG : rot -141:sc= 0.477 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 165:sc= -2.88! (180deg=-3.04) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -1.02 K(o=-1,f=-6.3!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.23 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 2.220 8.425 13.678 1.00 0.00 N ATOM 2 CA GLN A 23 3.604 8.195 13.254 1.00 0.00 C ATOM 3 C GLN A 23 3.693 7.384 11.945 1.00 0.00 C ATOM 4 O GLN A 23 2.754 6.673 11.569 1.00 0.00 O ATOM 5 CB GLN A 23 4.394 7.501 14.382 1.00 0.00 C ATOM 6 CG GLN A 23 4.527 8.374 15.644 1.00 0.00 C ATOM 7 CD GLN A 23 5.350 7.724 16.761 1.00 0.00 C ATOM 8 OE1 GLN A 23 5.836 6.601 16.674 1.00 0.00 O ATOM 9 NE2 GLN A 23 5.543 8.409 17.871 1.00 0.00 N ATOM 0 HA GLN A 23 4.049 9.169 13.049 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.899 6.566 14.644 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.389 7.244 14.017 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.988 9.323 15.371 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.531 8.601 16.024 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.149 9.345 17.968 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.086 8.003 18.633 1.00 0.00 H new ATOM 18 N ILE A 24 4.835 7.489 11.254 1.00 0.00 N ATOM 19 CA ILE A 24 5.136 6.819 9.973 1.00 0.00 C ATOM 20 C ILE A 24 6.538 6.173 10.044 1.00 0.00 C ATOM 21 O ILE A 24 7.416 6.659 10.761 1.00 0.00 O ATOM 22 CB ILE A 24 5.018 7.803 8.770 1.00 0.00 C ATOM 23 CG1 ILE A 24 3.842 8.807 8.887 1.00 0.00 C ATOM 24 CG2 ILE A 24 4.881 7.010 7.453 1.00 0.00 C ATOM 25 CD1 ILE A 24 3.755 9.834 7.747 1.00 0.00 C ATOM 0 H ILE A 24 5.610 8.066 11.582 1.00 0.00 H new ATOM 0 HA ILE A 24 4.398 6.035 9.806 1.00 0.00 H new ATOM 0 HB ILE A 24 5.934 8.394 8.777 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.907 8.247 8.925 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.932 9.342 9.833 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.799 7.705 6.617 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.759 6.379 7.315 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.988 6.386 7.495 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.903 10.493 7.915 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.670 10.425 7.719 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.630 9.314 6.797 1.00 0.00 H new ATOM 37 N ASN A 25 6.758 5.089 9.290 1.00 0.00 N ATOM 38 CA ASN A 25 8.060 4.425 9.109 1.00 0.00 C ATOM 39 C ASN A 25 8.624 4.685 7.691 1.00 0.00 C ATOM 40 O ASN A 25 8.981 3.758 6.959 1.00 0.00 O ATOM 41 CB ASN A 25 7.928 2.934 9.479 1.00 0.00 C ATOM 42 CG ASN A 25 7.610 2.725 10.952 1.00 0.00 C ATOM 43 OD1 ASN A 25 8.464 2.855 11.819 1.00 0.00 O ATOM 44 ND2 ASN A 25 6.380 2.403 11.292 1.00 0.00 N ATOM 0 H ASN A 25 6.009 4.632 8.770 1.00 0.00 H new ATOM 0 HA ASN A 25 8.801 4.851 9.786 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.143 2.481 8.873 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.857 2.419 9.235 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.142 2.263 12.274 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.664 2.293 10.573 1.00 0.00 H new ATOM 51 N GLN A 26 8.645 5.958 7.277 1.00 0.00 N ATOM 52 CA GLN A 26 9.065 6.418 5.952 1.00 0.00 C ATOM 53 C GLN A 26 10.596 6.522 5.802 1.00 0.00 C ATOM 54 O GLN A 26 11.347 6.466 6.780 1.00 0.00 O ATOM 55 CB GLN A 26 8.284 7.687 5.555 1.00 0.00 C ATOM 56 CG GLN A 26 8.797 9.045 6.061 1.00 0.00 C ATOM 57 CD GLN A 26 8.565 9.359 7.542 1.00 0.00 C ATOM 58 OE1 GLN A 26 8.605 8.510 8.418 1.00 0.00 O ATOM 59 NE2 GLN A 26 8.314 10.605 7.883 1.00 0.00 N ATOM 0 H GLN A 26 8.357 6.726 7.883 1.00 0.00 H new ATOM 0 HA GLN A 26 8.800 5.653 5.222 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.249 7.729 4.466 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.258 7.568 5.903 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.868 9.099 5.865 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.325 9.829 5.469 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.276 11.332 7.168 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.158 10.844 8.862 1.00 0.00 H new ATOM 68 N VAL A 27 11.054 6.664 4.555 1.00 0.00 N ATOM 69 CA VAL A 27 12.472 6.560 4.141 1.00 0.00 C ATOM 70 C VAL A 27 12.936 7.719 3.245 1.00 0.00 C ATOM 71 O VAL A 27 12.133 8.395 2.603 1.00 0.00 O ATOM 72 CB VAL A 27 12.747 5.199 3.460 1.00 0.00 C ATOM 73 CG1 VAL A 27 12.648 4.042 4.460 1.00 0.00 C ATOM 74 CG2 VAL A 27 11.797 4.911 2.289 1.00 0.00 C ATOM 0 H VAL A 27 10.432 6.862 3.771 1.00 0.00 H new ATOM 0 HA VAL A 27 13.060 6.628 5.056 1.00 0.00 H new ATOM 0 HB VAL A 27 13.762 5.273 3.071 1.00 0.00 H new ATOM 0 HG11 VAL A 27 12.847 3.101 3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 27 13.380 4.184 5.255 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.646 4.017 4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.040 3.942 1.853 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.768 4.898 2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.907 5.688 1.532 1.00 0.00 H new ATOM 84 N ARG A 28 14.251 7.967 3.205 1.00 0.00 N ATOM 85 CA ARG A 28 14.871 9.132 2.534 1.00 0.00 C ATOM 86 C ARG A 28 15.150 8.874 1.034 1.00 0.00 C ATOM 87 O ARG A 28 15.544 7.762 0.682 1.00 0.00 O ATOM 88 CB ARG A 28 16.190 9.453 3.279 1.00 0.00 C ATOM 89 CG ARG A 28 16.739 10.867 3.013 1.00 0.00 C ATOM 90 CD ARG A 28 18.181 11.057 3.506 1.00 0.00 C ATOM 91 NE ARG A 28 18.332 10.817 4.959 1.00 0.00 N ATOM 92 CZ ARG A 28 18.904 9.782 5.555 1.00 0.00 C ATOM 93 NH1 ARG A 28 19.374 8.763 4.893 1.00 0.00 N ATOM 94 NH2 ARG A 28 19.016 9.748 6.852 1.00 0.00 N ATOM 0 H ARG A 28 14.935 7.353 3.647 1.00 0.00 H new ATOM 0 HA ARG A 28 14.179 9.974 2.574 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.027 9.335 4.350 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.945 8.722 2.989 1.00 0.00 H new ATOM 0 HG2 ARG A 28 16.698 11.071 1.943 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.095 11.598 3.502 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.838 10.379 2.961 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.507 12.071 3.275 1.00 0.00 H new ATOM 0 HE ARG A 28 17.950 11.535 5.575 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.309 8.742 3.875 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.807 7.986 5.392 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.662 10.521 7.415 1.00 0.00 H new ATOM 0 HH22 ARG A 28 19.458 8.948 7.305 1.00 0.00 H new ATOM 108 N PRO A 29 14.985 9.878 0.143 1.00 0.00 N ATOM 109 CA PRO A 29 15.462 9.792 -1.244 1.00 0.00 C ATOM 110 C PRO A 29 16.989 9.730 -1.321 1.00 0.00 C ATOM 111 O PRO A 29 17.673 10.042 -0.341 1.00 0.00 O ATOM 112 CB PRO A 29 14.924 11.036 -1.960 1.00 0.00 C ATOM 113 CG PRO A 29 13.832 11.588 -1.050 1.00 0.00 C ATOM 114 CD PRO A 29 14.255 11.126 0.342 1.00 0.00 C ATOM 0 HA PRO A 29 15.106 8.876 -1.715 1.00 0.00 H new ATOM 0 HB2 PRO A 29 15.713 11.771 -2.117 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.525 10.782 -2.942 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.772 12.675 -1.110 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.850 11.199 -1.320 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.883 11.873 0.828 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.387 10.973 0.984 1.00 0.00 H new ATOM 122 N LYS A 30 17.546 9.381 -2.491 1.00 0.00 N ATOM 123 CA LYS A 30 18.984 9.508 -2.697 1.00 0.00 C ATOM 124 C LYS A 30 19.336 10.996 -2.833 1.00 0.00 C ATOM 125 O LYS A 30 18.478 11.810 -3.180 1.00 0.00 O ATOM 126 CB LYS A 30 19.391 8.628 -3.885 1.00 0.00 C ATOM 127 CG LYS A 30 20.850 8.177 -3.784 1.00 0.00 C ATOM 128 CD LYS A 30 21.317 7.337 -4.972 1.00 0.00 C ATOM 129 CE LYS A 30 21.349 8.212 -6.227 1.00 0.00 C ATOM 130 NZ LYS A 30 21.819 7.427 -7.406 1.00 0.00 N ATOM 0 H LYS A 30 17.028 9.016 -3.291 1.00 0.00 H new ATOM 0 HA LYS A 30 19.562 9.145 -1.847 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.742 7.753 -3.929 1.00 0.00 H new ATOM 0 HB3 LYS A 30 19.245 9.180 -4.813 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.488 9.057 -3.699 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.980 7.600 -2.869 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.307 6.927 -4.775 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.645 6.491 -5.121 1.00 0.00 H new ATOM 0 HE2 LYS A 30 20.354 8.612 -6.423 1.00 0.00 H new ATOM 0 HE3 LYS A 30 22.009 9.065 -6.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.915 8.058 -8.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 22.741 6.996 -7.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.129 6.679 -7.622 1.00 0.00 H new ATOM 144 N LEU A 31 20.590 11.363 -2.575 1.00 0.00 N ATOM 145 CA LEU A 31 21.016 12.766 -2.435 1.00 0.00 C ATOM 146 C LEU A 31 20.577 13.703 -3.576 1.00 0.00 C ATOM 147 O LEU A 31 19.983 14.736 -3.267 1.00 0.00 O ATOM 148 CB LEU A 31 22.537 12.827 -2.167 1.00 0.00 C ATOM 149 CG LEU A 31 22.945 12.635 -0.693 1.00 0.00 C ATOM 150 CD1 LEU A 31 22.569 11.271 -0.110 1.00 0.00 C ATOM 151 CD2 LEU A 31 24.460 12.798 -0.562 1.00 0.00 C ATOM 0 H LEU A 31 21.350 10.694 -2.455 1.00 0.00 H new ATOM 0 HA LEU A 31 20.482 13.163 -1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.028 12.061 -2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 31 22.913 13.791 -2.510 1.00 0.00 H new ATOM 0 HG LEU A 31 22.395 13.391 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 31 22.891 11.218 0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 31 21.488 11.138 -0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.059 10.483 -0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 31 24.752 12.663 0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 31 24.961 12.052 -1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 31 24.749 13.796 -0.893 1.00 0.00 H new ATOM 163 N PRO A 32 20.737 13.365 -4.871 1.00 0.00 N ATOM 164 CA PRO A 32 20.285 14.248 -5.950 1.00 0.00 C ATOM 165 C PRO A 32 18.763 14.417 -6.012 1.00 0.00 C ATOM 166 O PRO A 32 18.281 15.478 -6.398 1.00 0.00 O ATOM 167 CB PRO A 32 20.819 13.619 -7.242 1.00 0.00 C ATOM 168 CG PRO A 32 21.992 12.759 -6.780 1.00 0.00 C ATOM 169 CD PRO A 32 21.515 12.263 -5.420 1.00 0.00 C ATOM 0 HA PRO A 32 20.661 15.258 -5.785 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.056 13.019 -7.738 1.00 0.00 H new ATOM 0 HB3 PRO A 32 21.139 14.380 -7.954 1.00 0.00 H new ATOM 0 HG2 PRO A 32 22.188 11.936 -7.467 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.914 13.336 -6.702 1.00 0.00 H new ATOM 0 HD2 PRO A 32 20.909 11.362 -5.518 1.00 0.00 H new ATOM 0 HD3 PRO A 32 22.356 12.013 -4.774 1.00 0.00 H new ATOM 177 N LEU A 33 17.987 13.415 -5.581 1.00 0.00 N ATOM 178 CA LEU A 33 16.519 13.506 -5.546 1.00 0.00 C ATOM 179 C LEU A 33 16.086 14.415 -4.384 1.00 0.00 C ATOM 180 O LEU A 33 15.225 15.277 -4.548 1.00 0.00 O ATOM 181 CB LEU A 33 15.927 12.080 -5.489 1.00 0.00 C ATOM 182 CG LEU A 33 14.523 11.920 -6.113 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.094 10.457 -6.122 1.00 0.00 C ATOM 184 CD2 LEU A 33 13.441 12.714 -5.387 1.00 0.00 C ATOM 0 H LEU A 33 18.354 12.523 -5.248 1.00 0.00 H new ATOM 0 HA LEU A 33 16.127 13.969 -6.451 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.611 11.400 -5.997 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.881 11.766 -4.446 1.00 0.00 H new ATOM 0 HG LEU A 33 14.618 12.309 -7.127 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.102 10.371 -6.566 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.805 9.873 -6.706 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.068 10.079 -5.100 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.481 12.555 -5.879 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.378 12.380 -4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.690 13.775 -5.412 1.00 0.00 H new ATOM 196 N LEU A 34 16.777 14.325 -3.242 1.00 0.00 N ATOM 197 CA LEU A 34 16.617 15.268 -2.129 1.00 0.00 C ATOM 198 C LEU A 34 16.959 16.716 -2.563 1.00 0.00 C ATOM 199 O LEU A 34 16.262 17.655 -2.174 1.00 0.00 O ATOM 200 CB LEU A 34 17.470 14.756 -0.946 1.00 0.00 C ATOM 201 CG LEU A 34 17.228 15.437 0.416 1.00 0.00 C ATOM 202 CD1 LEU A 34 15.772 15.298 0.861 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.104 14.769 1.475 1.00 0.00 C ATOM 0 H LEU A 34 17.465 13.594 -3.063 1.00 0.00 H new ATOM 0 HA LEU A 34 15.577 15.315 -1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.289 13.687 -0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.522 14.875 -1.206 1.00 0.00 H new ATOM 0 HG LEU A 34 17.470 16.494 0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.638 15.789 1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.120 15.763 0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.519 14.242 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.937 15.247 2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 34 17.848 13.712 1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.153 14.871 1.197 1.00 0.00 H new ATOM 215 N LYS A 35 17.954 16.902 -3.452 1.00 0.00 N ATOM 216 CA LYS A 35 18.297 18.225 -4.021 1.00 0.00 C ATOM 217 C LYS A 35 17.221 18.750 -4.979 1.00 0.00 C ATOM 218 O LYS A 35 16.920 19.941 -4.960 1.00 0.00 O ATOM 219 CB LYS A 35 19.678 18.238 -4.715 1.00 0.00 C ATOM 220 CG LYS A 35 20.918 17.805 -3.905 1.00 0.00 C ATOM 221 CD LYS A 35 20.809 18.000 -2.384 1.00 0.00 C ATOM 222 CE LYS A 35 22.072 17.594 -1.612 1.00 0.00 C ATOM 223 NZ LYS A 35 23.198 18.552 -1.805 1.00 0.00 N ATOM 0 H LYS A 35 18.542 16.143 -3.797 1.00 0.00 H new ATOM 0 HA LYS A 35 18.347 18.899 -3.165 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.614 17.593 -5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.857 19.251 -5.077 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.114 16.752 -4.107 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.781 18.365 -4.266 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.590 19.047 -2.177 1.00 0.00 H new ATOM 0 HD3 LYS A 35 19.965 17.418 -2.013 1.00 0.00 H new ATOM 0 HE2 LYS A 35 21.837 17.525 -0.550 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.386 16.601 -1.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 24.025 18.230 -1.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.444 18.600 -2.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 22.912 19.495 -1.473 1.00 0.00 H new ATOM 237 N ILE A 36 16.583 17.878 -5.765 1.00 0.00 N ATOM 238 CA ILE A 36 15.404 18.227 -6.578 1.00 0.00 C ATOM 239 C ILE A 36 14.231 18.669 -5.684 1.00 0.00 C ATOM 240 O ILE A 36 13.566 19.653 -6.000 1.00 0.00 O ATOM 241 CB ILE A 36 15.053 17.060 -7.532 1.00 0.00 C ATOM 242 CG1 ILE A 36 16.183 16.917 -8.579 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.704 17.289 -8.235 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.101 15.654 -9.444 1.00 0.00 C ATOM 0 H ILE A 36 16.868 16.903 -5.859 1.00 0.00 H new ATOM 0 HA ILE A 36 15.635 19.086 -7.208 1.00 0.00 H new ATOM 0 HB ILE A 36 14.962 16.144 -6.948 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.167 17.790 -9.232 1.00 0.00 H new ATOM 0 HG13 ILE A 36 17.142 16.924 -8.061 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.491 16.449 -8.897 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.914 17.372 -7.488 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.749 18.208 -8.819 1.00 0.00 H new ATOM 0 HD11 ILE A 36 16.933 15.640 -10.148 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.151 14.772 -8.806 1.00 0.00 H new ATOM 0 HD13 ILE A 36 15.160 15.651 -9.995 1.00 0.00 H new ATOM 256 N LEU A 37 14.017 18.035 -4.525 1.00 0.00 N ATOM 257 CA LEU A 37 13.050 18.501 -3.524 1.00 0.00 C ATOM 258 C LEU A 37 13.414 19.872 -2.924 1.00 0.00 C ATOM 259 O LEU A 37 12.527 20.717 -2.797 1.00 0.00 O ATOM 260 CB LEU A 37 12.874 17.424 -2.438 1.00 0.00 C ATOM 261 CG LEU A 37 11.696 16.489 -2.740 1.00 0.00 C ATOM 262 CD1 LEU A 37 11.846 15.660 -4.012 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.500 15.527 -1.576 1.00 0.00 C ATOM 0 H LEU A 37 14.510 17.184 -4.255 1.00 0.00 H new ATOM 0 HA LEU A 37 12.096 18.656 -4.028 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.790 16.838 -2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.716 17.905 -1.473 1.00 0.00 H new ATOM 0 HG LEU A 37 10.839 17.146 -2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 37 10.966 15.031 -4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.947 16.325 -4.870 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.733 15.032 -3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 37 10.663 14.862 -1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.405 14.937 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.291 16.092 -0.668 1.00 0.00 H new ATOM 275 N HIS A 38 14.693 20.152 -2.642 1.00 0.00 N ATOM 276 CA HIS A 38 15.122 21.514 -2.272 1.00 0.00 C ATOM 277 C HIS A 38 14.791 22.531 -3.381 1.00 0.00 C ATOM 278 O HIS A 38 14.175 23.565 -3.112 1.00 0.00 O ATOM 279 CB HIS A 38 16.622 21.557 -1.939 1.00 0.00 C ATOM 280 CG HIS A 38 17.061 20.695 -0.779 1.00 0.00 C ATOM 281 ND1 HIS A 38 18.325 20.110 -0.651 1.00 0.00 N ATOM 282 CD2 HIS A 38 16.339 20.437 0.352 1.00 0.00 C ATOM 283 CE1 HIS A 38 18.332 19.505 0.548 1.00 0.00 C ATOM 284 NE2 HIS A 38 17.156 19.688 1.172 1.00 0.00 N ATOM 0 H HIS A 38 15.445 19.463 -2.662 1.00 0.00 H new ATOM 0 HA HIS A 38 14.564 21.793 -1.378 1.00 0.00 H new ATOM 0 HB2 HIS A 38 17.181 21.254 -2.825 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.898 22.590 -1.725 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.329 20.756 0.562 1.00 0.00 H new ATOM 0 HE1 HIS A 38 19.165 18.950 0.953 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.910 19.333 2.096 1.00 0.00 H new ATOM 292 N ALA A 39 15.114 22.212 -4.641 1.00 0.00 N ATOM 293 CA ALA A 39 14.807 23.050 -5.807 1.00 0.00 C ATOM 294 C ALA A 39 13.297 23.242 -6.050 1.00 0.00 C ATOM 295 O ALA A 39 12.887 24.254 -6.622 1.00 0.00 O ATOM 296 CB ALA A 39 15.462 22.424 -7.042 1.00 0.00 C ATOM 0 H ALA A 39 15.604 21.351 -4.883 1.00 0.00 H new ATOM 0 HA ALA A 39 15.206 24.045 -5.609 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.244 23.034 -7.918 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.541 22.373 -6.895 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.068 21.419 -7.193 1.00 0.00 H new ATOM 302 N ALA A 40 12.462 22.304 -5.588 1.00 0.00 N ATOM 303 CA ALA A 40 11.005 22.421 -5.612 1.00 0.00 C ATOM 304 C ALA A 40 10.464 23.517 -4.668 1.00 0.00 C ATOM 305 O ALA A 40 9.295 23.896 -4.777 1.00 0.00 O ATOM 306 CB ALA A 40 10.396 21.061 -5.237 1.00 0.00 C ATOM 0 H ALA A 40 12.789 21.428 -5.180 1.00 0.00 H new ATOM 0 HA ALA A 40 10.716 22.717 -6.621 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.308 21.133 -5.251 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.719 20.307 -5.955 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.728 20.776 -4.239 1.00 0.00 H new ATOM 312 N GLY A 41 11.294 24.003 -3.733 1.00 0.00 N ATOM 313 CA GLY A 41 10.897 24.883 -2.630 1.00 0.00 C ATOM 314 C GLY A 41 10.466 24.133 -1.360 1.00 0.00 C ATOM 315 O GLY A 41 9.888 24.747 -0.459 1.00 0.00 O ATOM 0 H GLY A 41 12.291 23.786 -3.726 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.730 25.542 -2.386 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.075 25.518 -2.962 1.00 0.00 H new ATOM 319 N ALA A 42 10.728 22.821 -1.275 1.00 0.00 N ATOM 320 CA ALA A 42 10.440 21.983 -0.109 1.00 0.00 C ATOM 321 C ALA A 42 11.693 21.776 0.767 1.00 0.00 C ATOM 322 O ALA A 42 12.830 21.896 0.304 1.00 0.00 O ATOM 323 CB ALA A 42 9.831 20.657 -0.588 1.00 0.00 C ATOM 0 H ALA A 42 11.159 22.301 -2.040 1.00 0.00 H new ATOM 0 HA ALA A 42 9.715 22.487 0.531 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.613 20.025 0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.909 20.856 -1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.538 20.147 -1.242 1.00 0.00 H new ATOM 329 N GLN A 43 11.488 21.448 2.045 1.00 0.00 N ATOM 330 CA GLN A 43 12.568 21.113 2.983 1.00 0.00 C ATOM 331 C GLN A 43 13.038 19.656 2.801 1.00 0.00 C ATOM 332 O GLN A 43 12.359 18.846 2.169 1.00 0.00 O ATOM 333 CB GLN A 43 12.052 21.395 4.411 1.00 0.00 C ATOM 334 CG GLN A 43 13.052 21.300 5.582 1.00 0.00 C ATOM 335 CD GLN A 43 14.251 22.251 5.506 1.00 0.00 C ATOM 336 OE1 GLN A 43 14.323 23.178 4.710 1.00 0.00 O ATOM 337 NE2 GLN A 43 15.254 22.047 6.334 1.00 0.00 N ATOM 0 H GLN A 43 10.559 21.406 2.464 1.00 0.00 H new ATOM 0 HA GLN A 43 13.447 21.728 2.790 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.626 22.398 4.418 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.236 20.701 4.613 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.516 21.493 6.511 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.425 20.277 5.636 1.00 0.00 H new ATOM 0 HE21 GLN A 43 15.213 21.280 7.005 1.00 0.00 H new ATOM 0 HE22 GLN A 43 16.072 22.656 6.305 1.00 0.00 H new ATOM 346 N GLY A 44 14.209 19.324 3.355 1.00 0.00 N ATOM 347 CA GLY A 44 14.755 17.963 3.375 1.00 0.00 C ATOM 348 C GLY A 44 14.219 17.043 4.484 1.00 0.00 C ATOM 349 O GLY A 44 13.151 17.254 5.058 1.00 0.00 O ATOM 0 H GLY A 44 14.815 20.006 3.810 1.00 0.00 H new ATOM 0 HA2 GLY A 44 14.551 17.496 2.411 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.838 18.028 3.475 1.00 0.00 H new ATOM 353 N GLU A 45 15.034 16.030 4.797 1.00 0.00 N ATOM 354 CA GLU A 45 14.882 15.063 5.891 1.00 0.00 C ATOM 355 C GLU A 45 13.611 14.175 5.861 1.00 0.00 C ATOM 356 O GLU A 45 12.751 14.247 6.741 1.00 0.00 O ATOM 357 CB GLU A 45 15.153 15.722 7.256 1.00 0.00 C ATOM 358 CG GLU A 45 16.515 16.426 7.340 1.00 0.00 C ATOM 359 CD GLU A 45 16.760 16.980 8.757 1.00 0.00 C ATOM 360 OE1 GLU A 45 16.389 18.149 9.032 1.00 0.00 O ATOM 361 OE2 GLU A 45 17.335 16.257 9.608 1.00 0.00 O ATOM 0 H GLU A 45 15.878 15.851 4.253 1.00 0.00 H new ATOM 0 HA GLU A 45 15.661 14.321 5.715 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.366 16.447 7.463 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.098 14.961 8.035 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.308 15.726 7.077 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.554 17.239 6.615 1.00 0.00 H new ATOM 368 N MET A 46 13.570 13.317 4.829 1.00 0.00 N ATOM 369 CA MET A 46 12.684 12.160 4.546 1.00 0.00 C ATOM 370 C MET A 46 11.139 12.276 4.603 1.00 0.00 C ATOM 371 O MET A 46 10.541 12.989 5.410 1.00 0.00 O ATOM 372 CB MET A 46 13.231 10.858 5.166 1.00 0.00 C ATOM 373 CG MET A 46 12.847 10.447 6.592 1.00 0.00 C ATOM 374 SD MET A 46 13.509 11.398 7.992 1.00 0.00 S ATOM 375 CE MET A 46 15.298 11.299 7.709 1.00 0.00 C ATOM 0 H MET A 46 14.243 13.428 4.071 1.00 0.00 H new ATOM 0 HA MET A 46 12.762 12.143 3.459 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.937 10.041 4.507 1.00 0.00 H new ATOM 0 HB3 MET A 46 14.319 10.919 5.132 1.00 0.00 H new ATOM 0 HG2 MET A 46 11.760 10.474 6.661 1.00 0.00 H new ATOM 0 HG3 MET A 46 13.149 9.408 6.728 1.00 0.00 H new ATOM 0 HE1 MET A 46 15.826 11.667 8.588 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.580 10.263 7.523 1.00 0.00 H new ATOM 0 HE3 MET A 46 15.564 11.908 6.845 1.00 0.00 H new ATOM 385 N PHE A 47 10.484 11.509 3.711 1.00 0.00 N ATOM 386 CA PHE A 47 9.047 11.605 3.388 1.00 0.00 C ATOM 387 C PHE A 47 8.486 10.299 2.784 1.00 0.00 C ATOM 388 O PHE A 47 9.237 9.381 2.455 1.00 0.00 O ATOM 389 CB PHE A 47 8.807 12.758 2.382 1.00 0.00 C ATOM 390 CG PHE A 47 9.926 13.758 2.195 1.00 0.00 C ATOM 391 CD1 PHE A 47 11.083 13.385 1.488 1.00 0.00 C ATOM 392 CD2 PHE A 47 9.836 15.029 2.783 1.00 0.00 C ATOM 393 CE1 PHE A 47 12.164 14.274 1.386 1.00 0.00 C ATOM 394 CE2 PHE A 47 10.909 15.928 2.666 1.00 0.00 C ATOM 395 CZ PHE A 47 12.071 15.549 1.968 1.00 0.00 C ATOM 0 H PHE A 47 10.957 10.780 3.177 1.00 0.00 H new ATOM 0 HA PHE A 47 8.527 11.795 4.327 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.582 12.317 1.411 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.917 13.302 2.698 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.140 12.412 1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.946 15.315 3.323 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.062 13.980 0.863 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.842 16.910 3.111 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.895 16.242 1.880 1.00 0.00 H new ATOM 405 N THR A 48 7.167 10.217 2.603 1.00 0.00 N ATOM 406 CA THR A 48 6.486 9.122 1.866 1.00 0.00 C ATOM 407 C THR A 48 6.523 9.340 0.342 1.00 0.00 C ATOM 408 O THR A 48 6.826 10.446 -0.102 1.00 0.00 O ATOM 409 CB THR A 48 5.026 8.984 2.329 1.00 0.00 C ATOM 410 OG1 THR A 48 4.288 10.119 1.929 1.00 0.00 O ATOM 411 CG2 THR A 48 4.900 8.810 3.844 1.00 0.00 C ATOM 0 H THR A 48 6.520 10.917 2.966 1.00 0.00 H new ATOM 0 HA THR A 48 7.029 8.204 2.090 1.00 0.00 H new ATOM 0 HB THR A 48 4.629 8.084 1.861 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.358 10.026 2.225 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.848 8.718 4.113 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.434 7.911 4.153 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.328 9.677 4.347 1.00 0.00 H new ATOM 419 N VAL A 49 6.159 8.349 -0.496 1.00 0.00 N ATOM 420 CA VAL A 49 6.022 8.572 -1.963 1.00 0.00 C ATOM 421 C VAL A 49 5.002 9.682 -2.249 1.00 0.00 C ATOM 422 O VAL A 49 5.265 10.563 -3.063 1.00 0.00 O ATOM 423 CB VAL A 49 5.720 7.260 -2.749 1.00 0.00 C ATOM 424 CG1 VAL A 49 4.405 7.215 -3.545 1.00 0.00 C ATOM 425 CG2 VAL A 49 6.845 6.942 -3.743 1.00 0.00 C ATOM 0 H VAL A 49 5.955 7.396 -0.195 1.00 0.00 H new ATOM 0 HA VAL A 49 6.990 8.910 -2.334 1.00 0.00 H new ATOM 0 HB VAL A 49 5.633 6.526 -1.947 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.315 6.251 -4.045 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.564 7.351 -2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.403 8.011 -4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.609 6.022 -4.278 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.943 7.761 -4.456 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.783 6.817 -3.203 1.00 0.00 H new ATOM 435 N LYS A 50 3.878 9.711 -1.519 1.00 0.00 N ATOM 436 CA LYS A 50 2.832 10.730 -1.675 1.00 0.00 C ATOM 437 C LYS A 50 3.350 12.152 -1.431 1.00 0.00 C ATOM 438 O LYS A 50 2.893 13.086 -2.084 1.00 0.00 O ATOM 439 CB LYS A 50 1.683 10.354 -0.734 1.00 0.00 C ATOM 440 CG LYS A 50 0.423 11.198 -0.957 1.00 0.00 C ATOM 441 CD LYS A 50 -0.710 10.611 -0.112 1.00 0.00 C ATOM 442 CE LYS A 50 -1.996 11.431 -0.287 1.00 0.00 C ATOM 443 NZ LYS A 50 -3.116 10.875 0.521 1.00 0.00 N ATOM 0 H LYS A 50 3.668 9.021 -0.797 1.00 0.00 H new ATOM 0 HA LYS A 50 2.480 10.744 -2.707 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.437 9.301 -0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.013 10.471 0.298 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.607 12.235 -0.676 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.148 11.197 -2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.890 9.576 -0.404 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.419 10.600 0.938 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.812 12.464 0.008 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.278 11.445 -1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.968 11.454 0.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.308 9.897 0.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.856 10.885 1.528 1.00 0.00 H new ATOM 457 N GLU A 51 4.335 12.314 -0.548 1.00 0.00 N ATOM 458 CA GLU A 51 5.067 13.571 -0.354 1.00 0.00 C ATOM 459 C GLU A 51 6.169 13.792 -1.408 1.00 0.00 C ATOM 460 O GLU A 51 6.168 14.826 -2.077 1.00 0.00 O ATOM 461 CB GLU A 51 5.644 13.607 1.067 1.00 0.00 C ATOM 462 CG GLU A 51 4.568 13.663 2.160 1.00 0.00 C ATOM 463 CD GLU A 51 5.199 13.585 3.566 1.00 0.00 C ATOM 464 OE1 GLU A 51 5.739 12.516 3.944 1.00 0.00 O ATOM 465 OE2 GLU A 51 5.147 14.598 4.309 1.00 0.00 O ATOM 0 H GLU A 51 4.654 11.564 0.065 1.00 0.00 H new ATOM 0 HA GLU A 51 4.362 14.392 -0.485 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.264 12.724 1.222 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.296 14.475 1.165 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.997 14.587 2.065 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.867 12.839 2.027 1.00 0.00 H new ATOM 472 N VAL A 52 7.084 12.828 -1.606 1.00 0.00 N ATOM 473 CA VAL A 52 8.229 12.959 -2.533 1.00 0.00 C ATOM 474 C VAL A 52 7.763 13.295 -3.942 1.00 0.00 C ATOM 475 O VAL A 52 8.245 14.260 -4.533 1.00 0.00 O ATOM 476 CB VAL A 52 9.113 11.688 -2.585 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.235 11.780 -3.635 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.833 11.448 -1.260 1.00 0.00 C ATOM 0 H VAL A 52 7.053 11.929 -1.126 1.00 0.00 H new ATOM 0 HA VAL A 52 8.834 13.775 -2.138 1.00 0.00 H new ATOM 0 HB VAL A 52 8.415 10.887 -2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.820 10.860 -3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.798 11.920 -4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.883 12.625 -3.402 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.443 10.548 -1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.472 12.302 -1.033 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.099 11.323 -0.464 1.00 0.00 H new ATOM 488 N MET A 53 6.830 12.517 -4.495 1.00 0.00 N ATOM 489 CA MET A 53 6.444 12.667 -5.900 1.00 0.00 C ATOM 490 C MET A 53 5.613 13.908 -6.154 1.00 0.00 C ATOM 491 O MET A 53 5.702 14.516 -7.212 1.00 0.00 O ATOM 492 CB MET A 53 5.684 11.439 -6.405 1.00 0.00 C ATOM 493 CG MET A 53 6.348 10.103 -6.085 1.00 0.00 C ATOM 494 SD MET A 53 8.156 9.966 -6.140 1.00 0.00 S ATOM 495 CE MET A 53 8.391 10.603 -7.804 1.00 0.00 C ATOM 0 H MET A 53 6.330 11.781 -3.995 1.00 0.00 H new ATOM 0 HA MET A 53 7.378 12.770 -6.452 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.683 11.445 -5.973 1.00 0.00 H new ATOM 0 HB3 MET A 53 5.565 11.521 -7.485 1.00 0.00 H new ATOM 0 HG2 MET A 53 6.029 9.812 -5.084 1.00 0.00 H new ATOM 0 HG3 MET A 53 5.944 9.364 -6.776 1.00 0.00 H new ATOM 0 HE1 MET A 53 9.222 10.082 -8.279 1.00 0.00 H new ATOM 0 HE2 MET A 53 7.483 10.444 -8.386 1.00 0.00 H new ATOM 0 HE3 MET A 53 8.610 11.670 -7.758 1.00 0.00 H new ATOM 505 N HIS A 54 4.850 14.295 -5.146 1.00 0.00 N ATOM 506 CA HIS A 54 4.125 15.576 -5.121 1.00 0.00 C ATOM 507 C HIS A 54 5.088 16.772 -5.186 1.00 0.00 C ATOM 508 O HIS A 54 4.927 17.635 -6.051 1.00 0.00 O ATOM 509 CB HIS A 54 3.204 15.664 -3.900 1.00 0.00 C ATOM 510 CG HIS A 54 2.436 16.962 -3.831 1.00 0.00 C ATOM 511 ND1 HIS A 54 2.803 18.087 -3.085 1.00 0.00 N ATOM 512 CD2 HIS A 54 1.284 17.239 -4.508 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.861 19.015 -3.329 1.00 0.00 C ATOM 514 NE2 HIS A 54 0.937 18.532 -4.179 1.00 0.00 N ATOM 0 H HIS A 54 4.708 13.731 -4.308 1.00 0.00 H new ATOM 0 HA HIS A 54 3.499 15.618 -6.012 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.500 14.833 -3.923 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.800 15.552 -2.994 1.00 0.00 H new ATOM 0 HD2 HIS A 54 0.749 16.575 -5.171 1.00 0.00 H new ATOM 0 HE1 HIS A 54 1.848 20.007 -2.903 1.00 0.00 H new ATOM 0 HE2 HIS A 54 0.119 19.036 -4.522 1.00 0.00 H new ATOM 522 N TYR A 55 6.145 16.787 -4.364 1.00 0.00 N ATOM 523 CA TYR A 55 7.193 17.813 -4.445 1.00 0.00 C ATOM 524 C TYR A 55 7.971 17.753 -5.772 1.00 0.00 C ATOM 525 O TYR A 55 8.256 18.794 -6.364 1.00 0.00 O ATOM 526 CB TYR A 55 8.159 17.690 -3.258 1.00 0.00 C ATOM 527 CG TYR A 55 7.585 17.922 -1.867 1.00 0.00 C ATOM 528 CD1 TYR A 55 6.717 19.005 -1.611 1.00 0.00 C ATOM 529 CD2 TYR A 55 7.976 17.080 -0.806 1.00 0.00 C ATOM 530 CE1 TYR A 55 6.227 19.230 -0.309 1.00 0.00 C ATOM 531 CE2 TYR A 55 7.491 17.302 0.497 1.00 0.00 C ATOM 532 CZ TYR A 55 6.612 18.377 0.749 1.00 0.00 C ATOM 533 OH TYR A 55 6.149 18.587 2.014 1.00 0.00 O ATOM 0 H TYR A 55 6.298 16.095 -3.630 1.00 0.00 H new ATOM 0 HA TYR A 55 6.694 18.781 -4.405 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.597 16.692 -3.281 1.00 0.00 H new ATOM 0 HB3 TYR A 55 8.973 18.399 -3.410 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.427 19.664 -2.416 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.652 16.259 -0.994 1.00 0.00 H new ATOM 0 HE1 TYR A 55 5.557 20.055 -0.120 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.792 16.650 1.304 1.00 0.00 H new ATOM 0 HH TYR A 55 6.515 17.904 2.614 1.00 0.00 H new ATOM 543 N LEU A 56 8.265 16.556 -6.294 1.00 0.00 N ATOM 544 CA LEU A 56 8.909 16.385 -7.604 1.00 0.00 C ATOM 545 C LEU A 56 8.001 16.884 -8.749 1.00 0.00 C ATOM 546 O LEU A 56 8.470 17.558 -9.659 1.00 0.00 O ATOM 547 CB LEU A 56 9.327 14.906 -7.773 1.00 0.00 C ATOM 548 CG LEU A 56 10.719 14.703 -8.399 1.00 0.00 C ATOM 549 CD1 LEU A 56 11.060 13.213 -8.439 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.825 15.235 -9.824 1.00 0.00 C ATOM 0 H LEU A 56 8.063 15.676 -5.819 1.00 0.00 H new ATOM 0 HA LEU A 56 9.808 17.000 -7.652 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.308 14.422 -6.796 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.587 14.401 -8.393 1.00 0.00 H new ATOM 0 HG LEU A 56 11.412 15.263 -7.771 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.046 13.077 -8.883 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.060 12.812 -7.425 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.317 12.686 -9.037 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.831 15.059 -10.204 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.103 14.722 -10.459 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.617 16.305 -9.829 1.00 0.00 H new ATOM 562 N GLY A 57 6.690 16.648 -8.666 1.00 0.00 N ATOM 563 CA GLY A 57 5.673 17.176 -9.580 1.00 0.00 C ATOM 564 C GLY A 57 5.568 18.703 -9.536 1.00 0.00 C ATOM 565 O GLY A 57 5.480 19.344 -10.579 1.00 0.00 O ATOM 0 H GLY A 57 6.292 16.062 -7.933 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.908 16.862 -10.597 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.705 16.743 -9.328 1.00 0.00 H new ATOM 569 N GLN A 58 5.677 19.303 -8.346 1.00 0.00 N ATOM 570 CA GLN A 58 5.812 20.753 -8.148 1.00 0.00 C ATOM 571 C GLN A 58 7.090 21.289 -8.825 1.00 0.00 C ATOM 572 O GLN A 58 7.021 22.234 -9.614 1.00 0.00 O ATOM 573 CB GLN A 58 5.716 21.043 -6.632 1.00 0.00 C ATOM 574 CG GLN A 58 6.509 22.242 -6.089 1.00 0.00 C ATOM 575 CD GLN A 58 6.101 23.613 -6.620 1.00 0.00 C ATOM 576 OE1 GLN A 58 5.059 23.817 -7.230 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.927 24.609 -6.385 1.00 0.00 N ATOM 0 H GLN A 58 5.674 18.781 -7.470 1.00 0.00 H new ATOM 0 HA GLN A 58 5.002 21.295 -8.636 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.665 21.194 -6.384 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.045 20.152 -6.097 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.414 22.253 -5.003 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.564 22.086 -6.315 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.796 24.442 -5.877 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.699 25.548 -6.711 1.00 0.00 H new ATOM 586 N TYR A 59 8.247 20.652 -8.608 1.00 0.00 N ATOM 587 CA TYR A 59 9.485 21.015 -9.306 1.00 0.00 C ATOM 588 C TYR A 59 9.292 20.942 -10.832 1.00 0.00 C ATOM 589 O TYR A 59 9.548 21.913 -11.538 1.00 0.00 O ATOM 590 CB TYR A 59 10.625 20.100 -8.833 1.00 0.00 C ATOM 591 CG TYR A 59 11.882 20.157 -9.672 1.00 0.00 C ATOM 592 CD1 TYR A 59 12.901 21.076 -9.365 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.035 19.269 -10.751 1.00 0.00 C ATOM 594 CE1 TYR A 59 14.079 21.094 -10.135 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.195 19.301 -11.544 1.00 0.00 C ATOM 596 CZ TYR A 59 14.232 20.211 -11.227 1.00 0.00 C ATOM 597 OH TYR A 59 15.376 20.268 -11.956 1.00 0.00 O ATOM 0 H TYR A 59 8.351 19.879 -7.951 1.00 0.00 H new ATOM 0 HA TYR A 59 9.748 22.045 -9.066 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.880 20.363 -7.806 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.263 19.072 -8.818 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.780 21.765 -8.542 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.255 18.556 -10.973 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.870 21.787 -9.890 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.294 18.636 -12.389 1.00 0.00 H new ATOM 0 HH TYR A 59 15.320 19.635 -12.702 1.00 0.00 H new ATOM 607 N ILE A 60 8.732 19.839 -11.337 1.00 0.00 N ATOM 608 CA ILE A 60 8.428 19.616 -12.761 1.00 0.00 C ATOM 609 C ILE A 60 7.458 20.674 -13.314 1.00 0.00 C ATOM 610 O ILE A 60 7.653 21.133 -14.436 1.00 0.00 O ATOM 611 CB ILE A 60 7.935 18.155 -12.935 1.00 0.00 C ATOM 612 CG1 ILE A 60 9.161 17.212 -12.852 1.00 0.00 C ATOM 613 CG2 ILE A 60 7.129 17.927 -14.229 1.00 0.00 C ATOM 614 CD1 ILE A 60 8.818 15.720 -12.789 1.00 0.00 C ATOM 0 H ILE A 60 8.467 19.048 -10.750 1.00 0.00 H new ATOM 0 HA ILE A 60 9.329 19.740 -13.362 1.00 0.00 H new ATOM 0 HB ILE A 60 7.234 17.934 -12.130 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.797 17.388 -13.719 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.745 17.474 -11.970 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.817 16.884 -14.284 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.249 18.570 -14.227 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.751 18.166 -15.092 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.737 15.137 -12.733 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.209 15.524 -11.906 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.263 15.436 -13.683 1.00 0.00 H new ATOM 626 N MET A 61 6.477 21.132 -12.535 1.00 0.00 N ATOM 627 CA MET A 61 5.562 22.225 -12.896 1.00 0.00 C ATOM 628 C MET A 61 6.280 23.585 -12.971 1.00 0.00 C ATOM 629 O MET A 61 5.979 24.379 -13.860 1.00 0.00 O ATOM 630 CB MET A 61 4.402 22.239 -11.882 1.00 0.00 C ATOM 631 CG MET A 61 3.316 23.306 -12.077 1.00 0.00 C ATOM 632 SD MET A 61 2.122 23.002 -13.410 1.00 0.00 S ATOM 633 CE MET A 61 2.926 23.870 -14.778 1.00 0.00 C ATOM 0 H MET A 61 6.289 20.745 -11.610 1.00 0.00 H new ATOM 0 HA MET A 61 5.169 22.050 -13.897 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.922 21.260 -11.903 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.825 22.365 -10.885 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.766 23.410 -11.142 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.805 24.262 -12.267 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.203 24.041 -15.575 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.311 24.827 -14.426 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.749 23.266 -15.159 1.00 0.00 H new ATOM 643 N VAL A 62 7.260 23.854 -12.098 1.00 0.00 N ATOM 644 CA VAL A 62 8.044 25.111 -12.092 1.00 0.00 C ATOM 645 C VAL A 62 9.125 25.137 -13.174 1.00 0.00 C ATOM 646 O VAL A 62 9.419 26.191 -13.741 1.00 0.00 O ATOM 647 CB VAL A 62 8.644 25.362 -10.704 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.538 26.602 -10.614 1.00 0.00 C ATOM 649 CG2 VAL A 62 7.530 25.553 -9.680 1.00 0.00 C ATOM 0 H VAL A 62 7.539 23.202 -11.365 1.00 0.00 H new ATOM 0 HA VAL A 62 7.354 25.921 -12.328 1.00 0.00 H new ATOM 0 HB VAL A 62 9.257 24.483 -10.504 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.919 26.703 -9.598 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.373 26.499 -11.306 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.959 27.488 -10.874 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.966 25.731 -8.697 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.917 26.408 -9.965 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.910 24.657 -9.645 1.00 0.00 H new ATOM 659 N LYS A 63 9.699 23.968 -13.476 1.00 0.00 N ATOM 660 CA LYS A 63 10.729 23.780 -14.518 1.00 0.00 C ATOM 661 C LYS A 63 10.139 23.456 -15.904 1.00 0.00 C ATOM 662 O LYS A 63 10.843 23.550 -16.909 1.00 0.00 O ATOM 663 CB LYS A 63 11.762 22.722 -14.065 1.00 0.00 C ATOM 664 CG LYS A 63 12.497 22.986 -12.730 1.00 0.00 C ATOM 665 CD LYS A 63 12.855 24.453 -12.463 1.00 0.00 C ATOM 666 CE LYS A 63 13.772 24.553 -11.235 1.00 0.00 C ATOM 667 NZ LYS A 63 14.204 25.956 -10.976 1.00 0.00 N ATOM 0 H LYS A 63 9.459 23.102 -12.994 1.00 0.00 H new ATOM 0 HA LYS A 63 11.242 24.734 -14.641 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.252 21.762 -13.987 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.511 22.622 -14.850 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.873 22.626 -11.912 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.413 22.396 -12.715 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.352 24.879 -13.334 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.947 25.034 -12.298 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.250 24.167 -10.360 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.650 23.925 -11.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.821 25.980 -10.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.725 26.317 -11.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.368 26.551 -10.807 1.00 0.00 H new ATOM 681 N GLN A 64 8.855 23.086 -15.950 1.00 0.00 N ATOM 682 CA GLN A 64 8.111 22.572 -17.107 1.00 0.00 C ATOM 683 C GLN A 64 8.838 21.416 -17.830 1.00 0.00 C ATOM 684 O GLN A 64 9.240 21.534 -18.991 1.00 0.00 O ATOM 685 CB GLN A 64 7.637 23.682 -18.070 1.00 0.00 C ATOM 686 CG GLN A 64 6.716 24.741 -17.440 1.00 0.00 C ATOM 687 CD GLN A 64 7.471 25.905 -16.797 1.00 0.00 C ATOM 688 OE1 GLN A 64 8.370 26.508 -17.371 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.124 26.289 -15.591 1.00 0.00 N ATOM 0 H GLN A 64 8.265 23.142 -15.120 1.00 0.00 H new ATOM 0 HA GLN A 64 7.201 22.136 -16.695 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.513 24.183 -18.482 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.113 23.218 -18.906 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.048 25.132 -18.207 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.090 24.264 -16.686 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.378 25.801 -15.095 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.600 27.076 -15.149 1.00 0.00 H new ATOM 698 N LEU A 65 9.020 20.286 -17.132 1.00 0.00 N ATOM 699 CA LEU A 65 9.768 19.115 -17.631 1.00 0.00 C ATOM 700 C LEU A 65 8.876 18.085 -18.358 1.00 0.00 C ATOM 701 O LEU A 65 9.347 17.056 -18.844 1.00 0.00 O ATOM 702 CB LEU A 65 10.554 18.517 -16.457 1.00 0.00 C ATOM 703 CG LEU A 65 11.737 17.610 -16.848 1.00 0.00 C ATOM 704 CD1 LEU A 65 12.756 18.305 -17.755 1.00 0.00 C ATOM 705 CD2 LEU A 65 12.437 17.223 -15.553 1.00 0.00 C ATOM 0 H LEU A 65 8.648 20.154 -16.191 1.00 0.00 H new ATOM 0 HA LEU A 65 10.466 19.437 -18.403 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.932 19.333 -15.841 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.867 17.942 -15.837 1.00 0.00 H new ATOM 0 HG LEU A 65 11.349 16.756 -17.403 1.00 0.00 H new ATOM 0 HD11 LEU A 65 13.563 17.612 -17.993 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.267 18.622 -18.676 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.165 19.176 -17.243 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.286 16.577 -15.777 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.788 18.122 -15.047 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.738 16.692 -14.906 1.00 0.00 H new ATOM 717 N TYR A 66 7.572 18.357 -18.414 1.00 0.00 N ATOM 718 CA TYR A 66 6.563 17.540 -19.079 1.00 0.00 C ATOM 719 C TYR A 66 6.366 17.953 -20.546 1.00 0.00 C ATOM 720 O TYR A 66 6.632 19.097 -20.927 1.00 0.00 O ATOM 721 CB TYR A 66 5.255 17.607 -18.276 1.00 0.00 C ATOM 722 CG TYR A 66 4.666 19.004 -18.179 1.00 0.00 C ATOM 723 CD1 TYR A 66 5.035 19.860 -17.121 1.00 0.00 C ATOM 724 CD2 TYR A 66 3.792 19.464 -19.181 1.00 0.00 C ATOM 725 CE1 TYR A 66 4.559 21.184 -17.090 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.310 20.787 -19.151 1.00 0.00 C ATOM 727 CZ TYR A 66 3.703 21.656 -18.108 1.00 0.00 C ATOM 728 OH TYR A 66 3.270 22.947 -18.079 1.00 0.00 O ATOM 0 H TYR A 66 7.176 19.189 -17.977 1.00 0.00 H new ATOM 0 HA TYR A 66 6.904 16.505 -19.107 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.522 16.945 -18.737 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.437 17.229 -17.270 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.682 19.500 -16.335 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.489 18.800 -19.977 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.850 21.841 -16.284 1.00 0.00 H new ATOM 0 HE2 TYR A 66 2.641 21.137 -19.924 1.00 0.00 H new ATOM 0 HH TYR A 66 2.689 23.115 -18.850 1.00 0.00 H new ATOM 738 N ASP A 67 5.873 17.032 -21.376 1.00 0.00 N ATOM 739 CA ASP A 67 5.469 17.347 -22.749 1.00 0.00 C ATOM 740 C ASP A 67 4.105 18.070 -22.776 1.00 0.00 C ATOM 741 O ASP A 67 3.136 17.615 -22.169 1.00 0.00 O ATOM 742 CB ASP A 67 5.482 16.071 -23.595 1.00 0.00 C ATOM 743 CG ASP A 67 5.040 16.352 -25.037 1.00 0.00 C ATOM 744 OD1 ASP A 67 3.827 16.573 -25.252 1.00 0.00 O ATOM 745 OD2 ASP A 67 5.908 16.377 -25.943 1.00 0.00 O ATOM 0 H ASP A 67 5.743 16.054 -21.119 1.00 0.00 H new ATOM 0 HA ASP A 67 6.186 18.041 -23.188 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.485 15.644 -23.597 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.820 15.329 -23.148 1.00 0.00 H new ATOM 750 N GLN A 68 4.018 19.213 -23.463 1.00 0.00 N ATOM 751 CA GLN A 68 2.845 20.096 -23.420 1.00 0.00 C ATOM 752 C GLN A 68 1.582 19.543 -24.100 1.00 0.00 C ATOM 753 O GLN A 68 0.481 19.967 -23.744 1.00 0.00 O ATOM 754 CB GLN A 68 3.203 21.468 -24.031 1.00 0.00 C ATOM 755 CG GLN A 68 3.273 21.493 -25.577 1.00 0.00 C ATOM 756 CD GLN A 68 4.430 20.686 -26.176 1.00 0.00 C ATOM 757 OE1 GLN A 68 5.488 20.505 -25.584 1.00 0.00 O ATOM 758 NE2 GLN A 68 4.276 20.154 -27.369 1.00 0.00 N ATOM 0 H GLN A 68 4.764 19.555 -24.069 1.00 0.00 H new ATOM 0 HA GLN A 68 2.591 20.184 -22.364 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.464 22.200 -23.703 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.166 21.787 -23.633 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.334 21.109 -25.976 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.360 22.528 -25.907 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.404 20.291 -27.880 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.029 19.604 -27.783 1.00 0.00 H new ATOM 767 N GLN A 69 1.712 18.663 -25.102 1.00 0.00 N ATOM 768 CA GLN A 69 0.585 18.126 -25.845 1.00 0.00 C ATOM 769 C GLN A 69 0.133 16.759 -25.295 1.00 0.00 C ATOM 770 O GLN A 69 -1.043 16.403 -25.392 1.00 0.00 O ATOM 771 CB GLN A 69 0.896 18.120 -27.342 1.00 0.00 C ATOM 772 CG GLN A 69 2.118 17.306 -27.756 1.00 0.00 C ATOM 773 CD GLN A 69 2.312 17.296 -29.271 1.00 0.00 C ATOM 774 OE1 GLN A 69 2.928 18.182 -29.851 1.00 0.00 O ATOM 775 NE2 GLN A 69 1.779 16.321 -29.978 1.00 0.00 N ATOM 0 H GLN A 69 2.615 18.306 -25.415 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.276 18.780 -25.706 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.027 17.734 -27.874 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.039 19.150 -27.670 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.007 17.719 -27.279 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.010 16.282 -27.397 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.263 15.575 -29.511 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.882 16.311 -30.993 1.00 0.00 H new ATOM 784 N GLU A 70 1.060 16.019 -24.678 1.00 0.00 N ATOM 785 CA GLU A 70 0.852 14.726 -24.019 1.00 0.00 C ATOM 786 C GLU A 70 1.584 14.668 -22.661 1.00 0.00 C ATOM 787 O GLU A 70 2.652 14.065 -22.530 1.00 0.00 O ATOM 788 CB GLU A 70 1.305 13.589 -24.955 1.00 0.00 C ATOM 789 CG GLU A 70 0.366 13.383 -26.149 1.00 0.00 C ATOM 790 CD GLU A 70 0.713 12.088 -26.909 1.00 0.00 C ATOM 791 OE1 GLU A 70 0.336 10.985 -26.438 1.00 0.00 O ATOM 792 OE2 GLU A 70 1.353 12.161 -27.987 1.00 0.00 O ATOM 0 H GLU A 70 2.032 16.324 -24.622 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.211 14.602 -23.812 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.308 13.807 -25.322 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.368 12.661 -24.386 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.666 13.339 -25.801 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.439 14.236 -26.824 1.00 0.00 H new ATOM 799 N GLN A 71 0.990 15.268 -21.620 1.00 0.00 N ATOM 800 CA GLN A 71 1.593 15.438 -20.286 1.00 0.00 C ATOM 801 C GLN A 71 1.950 14.123 -19.565 1.00 0.00 C ATOM 802 O GLN A 71 2.697 14.152 -18.585 1.00 0.00 O ATOM 803 CB GLN A 71 0.670 16.283 -19.390 1.00 0.00 C ATOM 804 CG GLN A 71 0.465 17.728 -19.884 1.00 0.00 C ATOM 805 CD GLN A 71 -0.653 17.938 -20.908 1.00 0.00 C ATOM 806 OE1 GLN A 71 -1.242 17.021 -21.468 1.00 0.00 O ATOM 807 NE2 GLN A 71 -0.991 19.176 -21.198 1.00 0.00 N ATOM 0 H GLN A 71 0.050 15.660 -21.682 1.00 0.00 H new ATOM 0 HA GLN A 71 2.540 15.949 -20.462 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.301 15.792 -19.322 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.085 16.310 -18.382 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.262 18.360 -19.020 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.401 18.077 -20.321 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.514 19.955 -20.744 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.730 19.357 -21.877 1.00 0.00 H new ATOM 816 N HIS A 72 1.471 12.966 -20.049 1.00 0.00 N ATOM 817 CA HIS A 72 1.919 11.660 -19.551 1.00 0.00 C ATOM 818 C HIS A 72 3.421 11.413 -19.791 1.00 0.00 C ATOM 819 O HIS A 72 4.027 10.677 -19.015 1.00 0.00 O ATOM 820 CB HIS A 72 1.051 10.526 -20.130 1.00 0.00 C ATOM 821 CG HIS A 72 1.242 10.254 -21.604 1.00 0.00 C ATOM 822 ND1 HIS A 72 2.351 9.619 -22.173 1.00 0.00 N ATOM 823 CD2 HIS A 72 0.365 10.581 -22.596 1.00 0.00 C ATOM 824 CE1 HIS A 72 2.129 9.609 -23.498 1.00 0.00 C ATOM 825 NE2 HIS A 72 0.938 10.162 -23.778 1.00 0.00 N ATOM 0 H HIS A 72 0.770 12.911 -20.788 1.00 0.00 H new ATOM 0 HA HIS A 72 1.787 11.668 -18.469 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.263 9.610 -19.578 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.003 10.768 -19.955 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.590 11.071 -22.479 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.812 9.212 -24.234 1.00 0.00 H new ATOM 0 HE2 HIS A 72 0.527 10.256 -24.707 1.00 0.00 H new ATOM 833 N MET A 73 4.033 12.046 -20.801 1.00 0.00 N ATOM 834 CA MET A 73 5.479 12.027 -21.056 1.00 0.00 C ATOM 835 C MET A 73 6.202 13.082 -20.202 1.00 0.00 C ATOM 836 O MET A 73 5.852 14.268 -20.213 1.00 0.00 O ATOM 837 CB MET A 73 5.743 12.187 -22.568 1.00 0.00 C ATOM 838 CG MET A 73 7.141 12.690 -22.975 1.00 0.00 C ATOM 839 SD MET A 73 8.610 11.789 -22.396 1.00 0.00 S ATOM 840 CE MET A 73 8.406 10.174 -23.193 1.00 0.00 C ATOM 0 H MET A 73 3.519 12.603 -21.484 1.00 0.00 H new ATOM 0 HA MET A 73 5.891 11.064 -20.755 1.00 0.00 H new ATOM 0 HB2 MET A 73 5.575 11.222 -23.047 1.00 0.00 H new ATOM 0 HB3 MET A 73 5.002 12.877 -22.972 1.00 0.00 H new ATOM 0 HG2 MET A 73 7.178 12.712 -24.064 1.00 0.00 H new ATOM 0 HG3 MET A 73 7.232 13.721 -22.632 1.00 0.00 H new ATOM 0 HE1 MET A 73 9.239 9.526 -22.921 1.00 0.00 H new ATOM 0 HE2 MET A 73 7.471 9.721 -22.863 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.385 10.302 -24.275 1.00 0.00 H new ATOM 850 N VAL A 74 7.250 12.645 -19.502 1.00 0.00 N ATOM 851 CA VAL A 74 8.166 13.476 -18.710 1.00 0.00 C ATOM 852 C VAL A 74 9.570 13.317 -19.297 1.00 0.00 C ATOM 853 O VAL A 74 10.119 12.215 -19.319 1.00 0.00 O ATOM 854 CB VAL A 74 8.145 13.104 -17.212 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.662 14.288 -16.390 1.00 0.00 C ATOM 856 CG2 VAL A 74 6.755 12.724 -16.683 1.00 0.00 C ATOM 0 H VAL A 74 7.497 11.656 -19.469 1.00 0.00 H new ATOM 0 HA VAL A 74 7.846 14.516 -18.764 1.00 0.00 H new ATOM 0 HB VAL A 74 8.781 12.225 -17.110 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.649 14.029 -15.331 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.682 14.524 -16.693 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.024 15.155 -16.560 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.824 12.476 -15.624 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.073 13.564 -16.815 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.379 11.862 -17.234 1.00 0.00 H new ATOM 866 N TYR A 75 10.152 14.407 -19.798 1.00 0.00 N ATOM 867 CA TYR A 75 11.381 14.392 -20.595 1.00 0.00 C ATOM 868 C TYR A 75 12.611 14.814 -19.773 1.00 0.00 C ATOM 869 O TYR A 75 13.208 15.868 -20.006 1.00 0.00 O ATOM 870 CB TYR A 75 11.140 15.232 -21.863 1.00 0.00 C ATOM 871 CG TYR A 75 12.190 15.045 -22.942 1.00 0.00 C ATOM 872 CD1 TYR A 75 12.139 13.909 -23.774 1.00 0.00 C ATOM 873 CD2 TYR A 75 13.211 16.000 -23.119 1.00 0.00 C ATOM 874 CE1 TYR A 75 13.115 13.721 -24.772 1.00 0.00 C ATOM 875 CE2 TYR A 75 14.189 15.816 -24.116 1.00 0.00 C ATOM 876 CZ TYR A 75 14.143 14.673 -24.946 1.00 0.00 C ATOM 877 OH TYR A 75 15.082 14.483 -25.916 1.00 0.00 O ATOM 0 H TYR A 75 9.775 15.345 -19.659 1.00 0.00 H new ATOM 0 HA TYR A 75 11.621 13.376 -20.907 1.00 0.00 H new ATOM 0 HB2 TYR A 75 10.163 14.977 -22.274 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.104 16.286 -21.586 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.351 13.182 -23.646 1.00 0.00 H new ATOM 0 HD2 TYR A 75 13.244 16.876 -22.488 1.00 0.00 H new ATOM 0 HE1 TYR A 75 13.077 12.847 -25.405 1.00 0.00 H new ATOM 0 HE2 TYR A 75 14.973 16.547 -24.246 1.00 0.00 H new ATOM 0 HH TYR A 75 15.718 15.228 -25.906 1.00 0.00 H new ATOM 887 N CYS A 76 12.996 14.015 -18.769 1.00 0.00 N ATOM 888 CA CYS A 76 14.069 14.401 -17.840 1.00 0.00 C ATOM 889 C CYS A 76 15.492 14.199 -18.397 1.00 0.00 C ATOM 890 O CYS A 76 16.458 14.460 -17.685 1.00 0.00 O ATOM 891 CB CYS A 76 13.906 13.783 -16.441 1.00 0.00 C ATOM 892 SG CYS A 76 12.172 13.621 -15.932 1.00 0.00 S ATOM 0 H CYS A 76 12.584 13.102 -18.579 1.00 0.00 H new ATOM 0 HA CYS A 76 13.950 15.479 -17.727 1.00 0.00 H new ATOM 0 HB2 CYS A 76 14.376 12.799 -16.428 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.436 14.399 -15.714 1.00 0.00 H new ATOM 0 HG CYS A 76 12.116 13.092 -14.746 1.00 0.00 H new ATOM 898 N GLY A 77 15.663 13.783 -19.659 1.00 0.00 N ATOM 899 CA GLY A 77 16.975 13.730 -20.325 1.00 0.00 C ATOM 900 C GLY A 77 17.724 15.077 -20.360 1.00 0.00 C ATOM 901 O GLY A 77 18.956 15.092 -20.369 1.00 0.00 O ATOM 0 H GLY A 77 14.893 13.472 -20.251 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.598 12.994 -19.816 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.836 13.378 -21.347 1.00 0.00 H new ATOM 905 N GLY A 78 16.995 16.201 -20.312 1.00 0.00 N ATOM 906 CA GLY A 78 17.536 17.565 -20.183 1.00 0.00 C ATOM 907 C GLY A 78 17.672 18.088 -18.739 1.00 0.00 C ATOM 908 O GLY A 78 17.953 19.273 -18.545 1.00 0.00 O ATOM 0 H GLY A 78 15.976 16.187 -20.364 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.517 17.595 -20.656 1.00 0.00 H new ATOM 0 HA3 GLY A 78 16.893 18.247 -20.739 1.00 0.00 H new ATOM 912 N ASP A 79 17.443 17.244 -17.728 1.00 0.00 N ATOM 913 CA ASP A 79 17.406 17.591 -16.297 1.00 0.00 C ATOM 914 C ASP A 79 18.572 16.965 -15.507 1.00 0.00 C ATOM 915 O ASP A 79 19.256 16.071 -16.008 1.00 0.00 O ATOM 916 CB ASP A 79 16.055 17.113 -15.745 1.00 0.00 C ATOM 917 CG ASP A 79 15.818 17.507 -14.286 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.566 18.704 -14.025 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.952 16.624 -13.410 1.00 0.00 O ATOM 0 H ASP A 79 17.270 16.252 -17.889 1.00 0.00 H new ATOM 0 HA ASP A 79 17.517 18.669 -16.184 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.254 17.525 -16.359 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.999 16.028 -15.834 1.00 0.00 H new ATOM 924 N LEU A 80 18.746 17.377 -14.243 1.00 0.00 N ATOM 925 CA LEU A 80 19.646 16.760 -13.257 1.00 0.00 C ATOM 926 C LEU A 80 19.489 15.226 -13.246 1.00 0.00 C ATOM 927 O LEU A 80 20.486 14.509 -13.290 1.00 0.00 O ATOM 928 CB LEU A 80 19.318 17.365 -11.874 1.00 0.00 C ATOM 929 CG LEU A 80 20.476 17.392 -10.854 1.00 0.00 C ATOM 930 CD1 LEU A 80 19.988 18.033 -9.553 1.00 0.00 C ATOM 931 CD2 LEU A 80 21.037 16.015 -10.498 1.00 0.00 C ATOM 0 H LEU A 80 18.244 18.180 -13.864 1.00 0.00 H new ATOM 0 HA LEU A 80 20.684 16.966 -13.517 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.966 18.386 -12.021 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.492 16.802 -11.440 1.00 0.00 H new ATOM 0 HG LEU A 80 21.274 17.959 -11.334 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.803 18.054 -8.830 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.653 19.051 -9.752 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.159 17.451 -9.149 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.846 16.127 -9.776 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.247 15.401 -10.065 1.00 0.00 H new ATOM 0 HD23 LEU A 80 21.418 15.534 -11.398 1.00 0.00 H new ATOM 943 N LEU A 81 18.248 14.720 -13.294 1.00 0.00 N ATOM 944 CA LEU A 81 17.942 13.283 -13.420 1.00 0.00 C ATOM 945 C LEU A 81 18.620 12.640 -14.647 1.00 0.00 C ATOM 946 O LEU A 81 19.190 11.549 -14.560 1.00 0.00 O ATOM 947 CB LEU A 81 16.413 13.118 -13.523 1.00 0.00 C ATOM 948 CG LEU A 81 15.620 13.466 -12.250 1.00 0.00 C ATOM 949 CD1 LEU A 81 14.118 13.423 -12.531 1.00 0.00 C ATOM 950 CD2 LEU A 81 15.920 12.504 -11.098 1.00 0.00 C ATOM 0 H LEU A 81 17.414 15.305 -13.246 1.00 0.00 H new ATOM 0 HA LEU A 81 18.333 12.773 -12.540 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.052 13.746 -14.338 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.194 12.085 -13.795 1.00 0.00 H new ATOM 0 HG LEU A 81 15.929 14.469 -11.957 1.00 0.00 H new ATOM 0 HD11 LEU A 81 13.570 13.671 -11.622 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.873 14.144 -13.310 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.838 12.423 -12.861 1.00 0.00 H new ATOM 0 HD21 LEU A 81 15.337 12.791 -10.223 1.00 0.00 H new ATOM 0 HD22 LEU A 81 15.655 11.489 -11.393 1.00 0.00 H new ATOM 0 HD23 LEU A 81 16.982 12.546 -10.856 1.00 0.00 H new ATOM 962 N GLY A 82 18.584 13.333 -15.784 1.00 0.00 N ATOM 963 CA GLY A 82 19.214 12.923 -17.033 1.00 0.00 C ATOM 964 C GLY A 82 20.744 12.997 -17.002 1.00 0.00 C ATOM 965 O GLY A 82 21.386 12.069 -17.484 1.00 0.00 O ATOM 0 H GLY A 82 18.098 14.226 -15.861 1.00 0.00 H new ATOM 0 HA2 GLY A 82 18.913 11.901 -17.264 1.00 0.00 H new ATOM 0 HA3 GLY A 82 18.844 13.554 -17.841 1.00 0.00 H new ATOM 969 N GLU A 83 21.360 14.011 -16.382 1.00 0.00 N ATOM 970 CA GLU A 83 22.828 14.055 -16.217 1.00 0.00 C ATOM 971 C GLU A 83 23.310 12.892 -15.342 1.00 0.00 C ATOM 972 O GLU A 83 24.310 12.230 -15.631 1.00 0.00 O ATOM 973 CB GLU A 83 23.280 15.346 -15.520 1.00 0.00 C ATOM 974 CG GLU A 83 22.517 16.587 -15.940 1.00 0.00 C ATOM 975 CD GLU A 83 23.237 17.874 -15.494 1.00 0.00 C ATOM 976 OE1 GLU A 83 23.062 18.310 -14.329 1.00 0.00 O ATOM 977 OE2 GLU A 83 23.990 18.465 -16.307 1.00 0.00 O ATOM 0 H GLU A 83 20.871 14.813 -15.985 1.00 0.00 H new ATOM 0 HA GLU A 83 23.250 13.997 -17.220 1.00 0.00 H new ATOM 0 HB2 GLU A 83 23.176 15.218 -14.443 1.00 0.00 H new ATOM 0 HB3 GLU A 83 24.340 15.501 -15.722 1.00 0.00 H new ATOM 0 HG2 GLU A 83 22.399 16.593 -17.024 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.516 16.562 -15.510 1.00 0.00 H new ATOM 984 N LEU A 84 22.551 12.656 -14.270 1.00 0.00 N ATOM 985 CA LEU A 84 22.793 11.639 -13.259 1.00 0.00 C ATOM 986 C LEU A 84 22.743 10.208 -13.836 1.00 0.00 C ATOM 987 O LEU A 84 23.680 9.435 -13.621 1.00 0.00 O ATOM 988 CB LEU A 84 21.758 11.889 -12.147 1.00 0.00 C ATOM 989 CG LEU A 84 21.669 10.792 -11.091 1.00 0.00 C ATOM 990 CD1 LEU A 84 22.956 10.674 -10.274 1.00 0.00 C ATOM 991 CD2 LEU A 84 20.504 11.089 -10.150 1.00 0.00 C ATOM 0 H LEU A 84 21.709 13.200 -14.079 1.00 0.00 H new ATOM 0 HA LEU A 84 23.803 11.715 -12.857 1.00 0.00 H new ATOM 0 HB2 LEU A 84 21.999 12.830 -11.652 1.00 0.00 H new ATOM 0 HB3 LEU A 84 20.777 12.012 -12.606 1.00 0.00 H new ATOM 0 HG LEU A 84 21.514 9.846 -11.609 1.00 0.00 H new ATOM 0 HD11 LEU A 84 22.846 9.881 -9.535 1.00 0.00 H new ATOM 0 HD12 LEU A 84 23.788 10.439 -10.938 1.00 0.00 H new ATOM 0 HD13 LEU A 84 23.152 11.618 -9.766 1.00 0.00 H new ATOM 0 HD21 LEU A 84 20.438 10.306 -9.394 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.666 12.051 -9.663 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.575 11.122 -10.720 1.00 0.00 H new ATOM 1003 N LEU A 85 21.674 9.849 -14.563 1.00 0.00 N ATOM 1004 CA LEU A 85 21.472 8.491 -15.099 1.00 0.00 C ATOM 1005 C LEU A 85 21.912 8.341 -16.575 1.00 0.00 C ATOM 1006 O LEU A 85 21.890 7.243 -17.129 1.00 0.00 O ATOM 1007 CB LEU A 85 19.986 8.115 -14.878 1.00 0.00 C ATOM 1008 CG LEU A 85 19.675 6.728 -14.279 1.00 0.00 C ATOM 1009 CD1 LEU A 85 20.204 5.558 -15.104 1.00 0.00 C ATOM 1010 CD2 LEU A 85 20.204 6.596 -12.851 1.00 0.00 C ATOM 0 H LEU A 85 20.920 10.495 -14.798 1.00 0.00 H new ATOM 0 HA LEU A 85 22.117 7.794 -14.563 1.00 0.00 H new ATOM 0 HB2 LEU A 85 19.544 8.868 -14.226 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.476 8.187 -15.839 1.00 0.00 H new ATOM 0 HG LEU A 85 18.586 6.672 -14.286 1.00 0.00 H new ATOM 0 HD11 LEU A 85 19.943 4.620 -14.614 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.759 5.584 -16.099 1.00 0.00 H new ATOM 0 HD13 LEU A 85 21.288 5.634 -15.189 1.00 0.00 H new ATOM 0 HD21 LEU A 85 19.965 5.605 -12.465 1.00 0.00 H new ATOM 0 HD22 LEU A 85 21.285 6.735 -12.849 1.00 0.00 H new ATOM 0 HD23 LEU A 85 19.740 7.353 -12.220 1.00 0.00 H new ATOM 1022 N GLY A 86 22.251 9.440 -17.256 1.00 0.00 N ATOM 1023 CA GLY A 86 22.483 9.508 -18.707 1.00 0.00 C ATOM 1024 C GLY A 86 21.184 9.653 -19.521 1.00 0.00 C ATOM 1025 O GLY A 86 21.206 10.190 -20.631 1.00 0.00 O ATOM 0 H GLY A 86 22.377 10.342 -16.797 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.137 10.352 -18.925 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.007 8.608 -19.028 1.00 0.00 H new ATOM 1029 N ARG A 87 20.049 9.203 -18.956 1.00 0.00 N ATOM 1030 CA ARG A 87 18.682 9.314 -19.498 1.00 0.00 C ATOM 1031 C ARG A 87 17.622 9.166 -18.395 1.00 0.00 C ATOM 1032 O ARG A 87 17.746 8.284 -17.556 1.00 0.00 O ATOM 1033 CB ARG A 87 18.477 8.261 -20.620 1.00 0.00 C ATOM 1034 CG ARG A 87 18.216 6.796 -20.200 1.00 0.00 C ATOM 1035 CD ARG A 87 19.260 6.136 -19.277 1.00 0.00 C ATOM 1036 NE ARG A 87 20.580 5.960 -19.920 1.00 0.00 N ATOM 1037 CZ ARG A 87 20.936 5.042 -20.805 1.00 0.00 C ATOM 1038 NH1 ARG A 87 20.107 4.143 -21.258 1.00 0.00 N ATOM 1039 NH2 ARG A 87 22.157 5.006 -21.259 1.00 0.00 N ATOM 0 H ARG A 87 20.062 8.724 -18.056 1.00 0.00 H new ATOM 0 HA ARG A 87 18.559 10.310 -19.923 1.00 0.00 H new ATOM 0 HB2 ARG A 87 17.638 8.587 -21.235 1.00 0.00 H new ATOM 0 HB3 ARG A 87 19.362 8.274 -21.256 1.00 0.00 H new ATOM 0 HG2 ARG A 87 17.248 6.754 -19.701 1.00 0.00 H new ATOM 0 HG3 ARG A 87 18.135 6.194 -21.105 1.00 0.00 H new ATOM 0 HD2 ARG A 87 19.378 6.744 -18.380 1.00 0.00 H new ATOM 0 HD3 ARG A 87 18.887 5.163 -18.955 1.00 0.00 H new ATOM 0 HE ARG A 87 21.303 6.626 -19.649 1.00 0.00 H new ATOM 0 HH11 ARG A 87 19.141 4.129 -20.930 1.00 0.00 H new ATOM 0 HH12 ARG A 87 20.424 3.454 -21.940 1.00 0.00 H new ATOM 0 HH21 ARG A 87 22.843 5.687 -20.933 1.00 0.00 H new ATOM 0 HH22 ARG A 87 22.427 4.297 -21.941 1.00 0.00 H new ATOM 1053 N GLN A 88 16.576 9.990 -18.397 1.00 0.00 N ATOM 1054 CA GLN A 88 15.379 9.814 -17.547 1.00 0.00 C ATOM 1055 C GLN A 88 14.128 10.359 -18.270 1.00 0.00 C ATOM 1056 O GLN A 88 13.319 11.082 -17.694 1.00 0.00 O ATOM 1057 CB GLN A 88 15.565 10.389 -16.116 1.00 0.00 C ATOM 1058 CG GLN A 88 16.321 9.468 -15.125 1.00 0.00 C ATOM 1059 CD GLN A 88 15.753 9.411 -13.697 1.00 0.00 C ATOM 1060 OE1 GLN A 88 14.662 9.859 -13.378 1.00 0.00 O ATOM 1061 NE2 GLN A 88 16.470 8.833 -12.753 1.00 0.00 N ATOM 0 H GLN A 88 16.526 10.815 -18.995 1.00 0.00 H new ATOM 0 HA GLN A 88 15.228 8.746 -17.392 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.102 11.335 -16.189 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.582 10.612 -15.701 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.330 8.457 -15.533 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.358 9.799 -15.070 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.387 8.445 -12.975 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.108 8.774 -11.801 1.00 0.00 H new ATOM 1070 N SER A 89 13.967 10.037 -19.557 1.00 0.00 N ATOM 1071 CA SER A 89 12.713 10.320 -20.282 1.00 0.00 C ATOM 1072 C SER A 89 11.848 9.062 -20.360 1.00 0.00 C ATOM 1073 O SER A 89 12.325 7.977 -20.700 1.00 0.00 O ATOM 1074 CB SER A 89 12.934 10.941 -21.654 1.00 0.00 C ATOM 1075 OG SER A 89 13.841 12.034 -21.557 1.00 0.00 O ATOM 0 H SER A 89 14.684 9.581 -20.122 1.00 0.00 H new ATOM 0 HA SER A 89 12.178 11.076 -19.707 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.327 10.192 -22.341 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.984 11.282 -22.064 1.00 0.00 H new ATOM 0 HG SER A 89 13.546 12.757 -22.149 1.00 0.00 H new ATOM 1081 N PHE A 90 10.575 9.219 -20.010 1.00 0.00 N ATOM 1082 CA PHE A 90 9.611 8.132 -19.775 1.00 0.00 C ATOM 1083 C PHE A 90 8.171 8.641 -19.747 1.00 0.00 C ATOM 1084 O PHE A 90 7.915 9.842 -19.851 1.00 0.00 O ATOM 1085 CB PHE A 90 9.940 7.476 -18.412 1.00 0.00 C ATOM 1086 CG PHE A 90 9.640 8.382 -17.227 1.00 0.00 C ATOM 1087 CD1 PHE A 90 10.559 9.377 -16.852 1.00 0.00 C ATOM 1088 CD2 PHE A 90 8.405 8.297 -16.557 1.00 0.00 C ATOM 1089 CE1 PHE A 90 10.243 10.292 -15.835 1.00 0.00 C ATOM 1090 CE2 PHE A 90 8.071 9.236 -15.567 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.991 10.234 -15.204 1.00 0.00 C ATOM 0 H PHE A 90 10.163 10.142 -19.875 1.00 0.00 H new ATOM 0 HA PHE A 90 9.694 7.416 -20.592 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.367 6.554 -18.311 1.00 0.00 H new ATOM 0 HB3 PHE A 90 10.994 7.200 -18.393 1.00 0.00 H new ATOM 0 HD1 PHE A 90 11.515 9.438 -17.350 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.712 7.507 -16.805 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.963 11.040 -15.538 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.106 9.191 -15.084 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.735 10.955 -14.441 1.00 0.00 H new ATOM 1101 N SER A 91 7.224 7.718 -19.564 1.00 0.00 N ATOM 1102 CA SER A 91 5.819 8.057 -19.390 1.00 0.00 C ATOM 1103 C SER A 91 5.168 7.453 -18.149 1.00 0.00 C ATOM 1104 O SER A 91 5.452 6.325 -17.744 1.00 0.00 O ATOM 1105 CB SER A 91 5.047 7.726 -20.653 1.00 0.00 C ATOM 1106 OG SER A 91 4.920 6.328 -20.864 1.00 0.00 O ATOM 0 H SER A 91 7.415 6.716 -19.533 1.00 0.00 H new ATOM 0 HA SER A 91 5.781 9.132 -19.214 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.054 8.173 -20.595 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.549 8.175 -21.510 1.00 0.00 H new ATOM 0 HG SER A 91 4.414 6.166 -21.688 1.00 0.00 H new ATOM 1112 N VAL A 92 4.264 8.220 -17.536 1.00 0.00 N ATOM 1113 CA VAL A 92 3.630 7.864 -16.255 1.00 0.00 C ATOM 1114 C VAL A 92 2.611 6.721 -16.358 1.00 0.00 C ATOM 1115 O VAL A 92 2.283 6.088 -15.354 1.00 0.00 O ATOM 1116 CB VAL A 92 3.005 9.093 -15.565 1.00 0.00 C ATOM 1117 CG1 VAL A 92 4.030 10.207 -15.331 1.00 0.00 C ATOM 1118 CG2 VAL A 92 1.851 9.673 -16.384 1.00 0.00 C ATOM 0 H VAL A 92 3.946 9.113 -17.913 1.00 0.00 H new ATOM 0 HA VAL A 92 4.443 7.490 -15.633 1.00 0.00 H new ATOM 0 HB VAL A 92 2.635 8.735 -14.604 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.544 11.052 -14.843 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.834 9.834 -14.696 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.442 10.529 -16.287 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.436 10.538 -15.866 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.218 9.979 -17.364 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.076 8.917 -16.507 1.00 0.00 H new ATOM 1128 N LYS A 93 2.153 6.417 -17.581 1.00 0.00 N ATOM 1129 CA LYS A 93 1.297 5.266 -17.921 1.00 0.00 C ATOM 1130 C LYS A 93 2.035 3.914 -17.930 1.00 0.00 C ATOM 1131 O LYS A 93 1.393 2.868 -18.025 1.00 0.00 O ATOM 1132 CB LYS A 93 0.597 5.536 -19.267 1.00 0.00 C ATOM 1133 CG LYS A 93 1.581 5.687 -20.441 1.00 0.00 C ATOM 1134 CD LYS A 93 0.852 5.839 -21.779 1.00 0.00 C ATOM 1135 CE LYS A 93 1.884 5.944 -22.909 1.00 0.00 C ATOM 1136 NZ LYS A 93 1.230 5.993 -24.246 1.00 0.00 N ATOM 0 H LYS A 93 2.377 6.989 -18.396 1.00 0.00 H new ATOM 0 HA LYS A 93 0.556 5.170 -17.127 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.092 4.719 -19.481 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.001 6.444 -19.183 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.217 6.556 -20.273 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.236 4.816 -20.481 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.196 4.985 -21.948 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.221 6.728 -21.764 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.490 6.839 -22.767 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.560 5.090 -22.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.957 6.064 -24.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.672 5.128 -24.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.604 6.822 -24.296 1.00 0.00 H new ATOM 1150 N ASP A 94 3.366 3.930 -17.831 1.00 0.00 N ATOM 1151 CA ASP A 94 4.247 2.758 -17.841 1.00 0.00 C ATOM 1152 C ASP A 94 5.074 2.701 -16.533 1.00 0.00 C ATOM 1153 O ASP A 94 6.223 3.153 -16.498 1.00 0.00 O ATOM 1154 CB ASP A 94 5.090 2.783 -19.128 1.00 0.00 C ATOM 1155 CG ASP A 94 5.801 1.447 -19.419 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.543 0.431 -18.728 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.591 1.397 -20.393 1.00 0.00 O ATOM 0 H ASP A 94 3.885 4.803 -17.737 1.00 0.00 H new ATOM 0 HA ASP A 94 3.674 1.831 -17.859 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.446 3.035 -19.971 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.836 3.574 -19.050 1.00 0.00 H new ATOM 1162 N PRO A 95 4.487 2.217 -15.417 1.00 0.00 N ATOM 1163 CA PRO A 95 5.088 2.309 -14.083 1.00 0.00 C ATOM 1164 C PRO A 95 6.335 1.436 -13.879 1.00 0.00 C ATOM 1165 O PRO A 95 7.199 1.814 -13.092 1.00 0.00 O ATOM 1166 CB PRO A 95 3.967 1.933 -13.104 1.00 0.00 C ATOM 1167 CG PRO A 95 3.038 1.053 -13.938 1.00 0.00 C ATOM 1168 CD PRO A 95 3.129 1.705 -15.315 1.00 0.00 C ATOM 0 HA PRO A 95 5.466 3.319 -13.922 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.355 1.397 -12.238 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.451 2.816 -12.728 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.368 0.014 -13.956 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.019 1.056 -13.552 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.922 0.983 -16.105 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.399 2.508 -15.418 1.00 0.00 H new ATOM 1176 N SER A 96 6.482 0.302 -14.573 1.00 0.00 N ATOM 1177 CA SER A 96 7.632 -0.606 -14.390 1.00 0.00 C ATOM 1178 C SER A 96 8.997 0.068 -14.624 1.00 0.00 C ATOM 1179 O SER A 96 9.823 0.043 -13.705 1.00 0.00 O ATOM 1180 CB SER A 96 7.509 -1.862 -15.260 1.00 0.00 C ATOM 1181 OG SER A 96 6.338 -2.590 -14.914 1.00 0.00 O ATOM 0 H SER A 96 5.814 -0.016 -15.275 1.00 0.00 H new ATOM 0 HA SER A 96 7.598 -0.896 -13.340 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.473 -1.581 -16.313 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.389 -2.492 -15.128 1.00 0.00 H new ATOM 0 HG SER A 96 6.271 -3.389 -15.478 1.00 0.00 H new ATOM 1187 N PRO A 97 9.266 0.727 -15.775 1.00 0.00 N ATOM 1188 CA PRO A 97 10.509 1.475 -15.965 1.00 0.00 C ATOM 1189 C PRO A 97 10.618 2.700 -15.037 1.00 0.00 C ATOM 1190 O PRO A 97 11.723 3.087 -14.662 1.00 0.00 O ATOM 1191 CB PRO A 97 10.531 1.881 -17.444 1.00 0.00 C ATOM 1192 CG PRO A 97 9.054 1.911 -17.830 1.00 0.00 C ATOM 1193 CD PRO A 97 8.482 0.763 -17.004 1.00 0.00 C ATOM 0 HA PRO A 97 11.369 0.858 -15.704 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.002 2.854 -17.586 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.089 1.165 -18.048 1.00 0.00 H new ATOM 0 HG2 PRO A 97 8.587 2.864 -17.581 1.00 0.00 H new ATOM 0 HG3 PRO A 97 8.909 1.755 -18.899 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.426 0.925 -16.789 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.557 -0.181 -17.543 1.00 0.00 H new ATOM 1201 N LEU A 98 9.489 3.283 -14.613 1.00 0.00 N ATOM 1202 CA LEU A 98 9.442 4.391 -13.651 1.00 0.00 C ATOM 1203 C LEU A 98 10.048 3.961 -12.299 1.00 0.00 C ATOM 1204 O LEU A 98 11.013 4.556 -11.807 1.00 0.00 O ATOM 1205 CB LEU A 98 7.975 4.865 -13.522 1.00 0.00 C ATOM 1206 CG LEU A 98 7.786 6.383 -13.406 1.00 0.00 C ATOM 1207 CD1 LEU A 98 6.292 6.696 -13.305 1.00 0.00 C ATOM 1208 CD2 LEU A 98 8.494 6.997 -12.205 1.00 0.00 C ATOM 0 H LEU A 98 8.566 2.992 -14.935 1.00 0.00 H new ATOM 0 HA LEU A 98 10.045 5.229 -14.002 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.418 4.511 -14.390 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.533 4.392 -12.645 1.00 0.00 H new ATOM 0 HG LEU A 98 8.232 6.821 -14.299 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.151 7.774 -13.222 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.783 6.331 -14.197 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.877 6.207 -12.424 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.316 8.072 -12.188 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.109 6.551 -11.288 1.00 0.00 H new ATOM 0 HD23 LEU A 98 9.565 6.808 -12.278 1.00 0.00 H new ATOM 1220 N TYR A 99 9.545 2.854 -11.749 1.00 0.00 N ATOM 1221 CA TYR A 99 10.087 2.228 -10.545 1.00 0.00 C ATOM 1222 C TYR A 99 11.520 1.713 -10.744 1.00 0.00 C ATOM 1223 O TYR A 99 12.308 1.797 -9.809 1.00 0.00 O ATOM 1224 CB TYR A 99 9.150 1.117 -10.055 1.00 0.00 C ATOM 1225 CG TYR A 99 7.951 1.627 -9.274 1.00 0.00 C ATOM 1226 CD1 TYR A 99 8.137 2.152 -7.979 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.657 1.575 -9.826 1.00 0.00 C ATOM 1228 CE1 TYR A 99 7.036 2.635 -7.245 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.553 2.061 -9.098 1.00 0.00 C ATOM 1230 CZ TYR A 99 5.741 2.594 -7.803 1.00 0.00 C ATOM 1231 OH TYR A 99 4.681 3.058 -7.083 1.00 0.00 O ATOM 0 H TYR A 99 8.739 2.362 -12.134 1.00 0.00 H new ATOM 0 HA TYR A 99 10.146 2.996 -9.774 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.797 0.547 -10.914 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.715 0.429 -9.427 1.00 0.00 H new ATOM 0 HD1 TYR A 99 9.127 2.184 -7.548 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.510 1.161 -10.812 1.00 0.00 H new ATOM 0 HE1 TYR A 99 7.183 3.037 -6.254 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.564 2.026 -9.530 1.00 0.00 H new ATOM 0 HH TYR A 99 3.860 2.960 -7.609 1.00 0.00 H new ATOM 1241 N ASP A 100 11.909 1.256 -11.939 1.00 0.00 N ATOM 1242 CA ASP A 100 13.294 0.846 -12.227 1.00 0.00 C ATOM 1243 C ASP A 100 14.301 2.003 -12.089 1.00 0.00 C ATOM 1244 O ASP A 100 15.349 1.840 -11.461 1.00 0.00 O ATOM 1245 CB ASP A 100 13.380 0.251 -13.634 1.00 0.00 C ATOM 1246 CG ASP A 100 14.711 -0.488 -13.846 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.891 -1.589 -13.271 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.579 0.022 -14.594 1.00 0.00 O ATOM 0 H ASP A 100 11.277 1.159 -12.734 1.00 0.00 H new ATOM 0 HA ASP A 100 13.564 0.096 -11.484 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.550 -0.438 -13.792 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.280 1.045 -14.374 1.00 0.00 H new ATOM 1253 N MET A 101 13.961 3.188 -12.612 1.00 0.00 N ATOM 1254 CA MET A 101 14.745 4.418 -12.393 1.00 0.00 C ATOM 1255 C MET A 101 14.764 4.824 -10.912 1.00 0.00 C ATOM 1256 O MET A 101 15.822 5.090 -10.345 1.00 0.00 O ATOM 1257 CB MET A 101 14.144 5.604 -13.153 1.00 0.00 C ATOM 1258 CG MET A 101 14.149 5.533 -14.680 1.00 0.00 C ATOM 1259 SD MET A 101 13.566 7.067 -15.470 1.00 0.00 S ATOM 1260 CE MET A 101 12.181 7.541 -14.385 1.00 0.00 C ATOM 0 H MET A 101 13.137 3.325 -13.198 1.00 0.00 H new ATOM 0 HA MET A 101 15.751 4.192 -12.746 1.00 0.00 H new ATOM 0 HB2 MET A 101 13.112 5.727 -12.824 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.683 6.503 -12.855 1.00 0.00 H new ATOM 0 HG2 MET A 101 15.160 5.316 -15.024 1.00 0.00 H new ATOM 0 HG3 MET A 101 13.518 4.704 -15.001 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.904 8.577 -14.580 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.326 6.894 -14.582 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.483 7.436 -13.343 1.00 0.00 H new ATOM 1270 N LEU A 102 13.592 4.876 -10.272 1.00 0.00 N ATOM 1271 CA LEU A 102 13.434 5.285 -8.877 1.00 0.00 C ATOM 1272 C LEU A 102 14.168 4.344 -7.923 1.00 0.00 C ATOM 1273 O LEU A 102 14.826 4.845 -7.028 1.00 0.00 O ATOM 1274 CB LEU A 102 11.939 5.427 -8.538 1.00 0.00 C ATOM 1275 CG LEU A 102 11.353 6.843 -8.721 1.00 0.00 C ATOM 1276 CD1 LEU A 102 11.665 7.507 -10.063 1.00 0.00 C ATOM 1277 CD2 LEU A 102 9.840 6.746 -8.553 1.00 0.00 C ATOM 0 H LEU A 102 12.710 4.629 -10.720 1.00 0.00 H new ATOM 0 HA LEU A 102 13.899 6.262 -8.744 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.374 4.735 -9.162 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.787 5.120 -7.503 1.00 0.00 H new ATOM 0 HG LEU A 102 11.826 7.476 -7.970 1.00 0.00 H new ATOM 0 HD11 LEU A 102 11.210 8.497 -10.094 1.00 0.00 H new ATOM 0 HD12 LEU A 102 12.745 7.600 -10.181 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.263 6.898 -10.873 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.396 7.734 -8.677 1.00 0.00 H new ATOM 0 HD22 LEU A 102 9.433 6.068 -9.304 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.608 6.366 -7.558 1.00 0.00 H new ATOM 1289 N ARG A 103 14.223 3.029 -8.150 1.00 0.00 N ATOM 1290 CA ARG A 103 15.044 2.090 -7.384 1.00 0.00 C ATOM 1291 C ARG A 103 16.541 2.467 -7.342 1.00 0.00 C ATOM 1292 O ARG A 103 17.232 2.114 -6.386 1.00 0.00 O ATOM 1293 CB ARG A 103 14.784 0.709 -8.010 1.00 0.00 C ATOM 1294 CG ARG A 103 15.287 -0.426 -7.134 1.00 0.00 C ATOM 1295 CD ARG A 103 15.087 -1.782 -7.818 1.00 0.00 C ATOM 1296 NE ARG A 103 15.516 -2.893 -6.944 1.00 0.00 N ATOM 1297 CZ ARG A 103 15.670 -4.161 -7.286 1.00 0.00 C ATOM 1298 NH1 ARG A 103 15.447 -4.589 -8.497 1.00 0.00 N ATOM 1299 NH2 ARG A 103 16.054 -5.038 -6.403 1.00 0.00 N ATOM 0 H ARG A 103 13.685 2.578 -8.890 1.00 0.00 H new ATOM 0 HA ARG A 103 14.765 2.104 -6.331 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.715 0.586 -8.181 1.00 0.00 H new ATOM 0 HB3 ARG A 103 15.271 0.657 -8.984 1.00 0.00 H new ATOM 0 HG2 ARG A 103 16.344 -0.279 -6.914 1.00 0.00 H new ATOM 0 HG3 ARG A 103 14.759 -0.415 -6.181 1.00 0.00 H new ATOM 0 HD2 ARG A 103 14.037 -1.908 -8.080 1.00 0.00 H new ATOM 0 HD3 ARG A 103 15.654 -1.809 -8.749 1.00 0.00 H new ATOM 0 HE ARG A 103 15.715 -2.657 -5.972 1.00 0.00 H new ATOM 0 HH11 ARG A 103 15.142 -3.937 -9.220 1.00 0.00 H new ATOM 0 HH12 ARG A 103 15.577 -5.575 -8.721 1.00 0.00 H new ATOM 0 HH21 ARG A 103 16.237 -4.748 -5.442 1.00 0.00 H new ATOM 0 HH22 ARG A 103 16.171 -6.015 -6.672 1.00 0.00 H new ATOM 1313 N LYS A 104 17.031 3.228 -8.334 1.00 0.00 N ATOM 1314 CA LYS A 104 18.393 3.801 -8.380 1.00 0.00 C ATOM 1315 C LYS A 104 18.521 5.196 -7.747 1.00 0.00 C ATOM 1316 O LYS A 104 19.651 5.617 -7.503 1.00 0.00 O ATOM 1317 CB LYS A 104 18.918 3.806 -9.834 1.00 0.00 C ATOM 1318 CG LYS A 104 18.934 2.437 -10.535 1.00 0.00 C ATOM 1319 CD LYS A 104 19.869 1.418 -9.865 1.00 0.00 C ATOM 1320 CE LYS A 104 19.927 0.133 -10.704 1.00 0.00 C ATOM 1321 NZ LYS A 104 20.859 -0.869 -10.116 1.00 0.00 N ATOM 0 H LYS A 104 16.475 3.471 -9.154 1.00 0.00 H new ATOM 0 HA LYS A 104 19.012 3.151 -7.762 1.00 0.00 H new ATOM 0 HB2 LYS A 104 18.304 4.489 -10.421 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.931 4.207 -9.835 1.00 0.00 H new ATOM 0 HG2 LYS A 104 17.921 2.034 -10.551 1.00 0.00 H new ATOM 0 HG3 LYS A 104 19.240 2.572 -11.572 1.00 0.00 H new ATOM 0 HD2 LYS A 104 20.868 1.841 -9.762 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.514 1.191 -8.860 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.929 -0.298 -10.778 1.00 0.00 H new ATOM 0 HE3 LYS A 104 20.246 0.375 -11.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 20.871 -1.722 -10.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 21.817 -0.466 -10.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 20.541 -1.119 -9.158 1.00 0.00 H new ATOM 1335 N ASN A 105 17.430 5.932 -7.482 1.00 0.00 N ATOM 1336 CA ASN A 105 17.503 7.308 -6.920 1.00 0.00 C ATOM 1337 C ASN A 105 16.563 7.592 -5.716 1.00 0.00 C ATOM 1338 O ASN A 105 16.543 8.697 -5.181 1.00 0.00 O ATOM 1339 CB ASN A 105 17.304 8.273 -8.117 1.00 0.00 C ATOM 1340 CG ASN A 105 17.783 9.697 -7.884 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.729 9.959 -7.162 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.188 10.663 -8.541 1.00 0.00 N ATOM 0 H ASN A 105 16.478 5.603 -7.646 1.00 0.00 H new ATOM 0 HA ASN A 105 18.477 7.457 -6.454 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.828 7.867 -8.982 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.244 8.300 -8.370 1.00 0.00 H new ATOM 0 HD21 ASN A 105 17.518 11.623 -8.445 1.00 0.00 H new ATOM 0 HD22 ASN A 105 16.395 10.454 -9.148 1.00 0.00 H new ATOM 1349 N LEU A 106 15.817 6.596 -5.246 1.00 0.00 N ATOM 1350 CA LEU A 106 14.846 6.629 -4.147 1.00 0.00 C ATOM 1351 C LEU A 106 14.884 5.273 -3.418 1.00 0.00 C ATOM 1352 O LEU A 106 15.009 4.227 -4.056 1.00 0.00 O ATOM 1353 CB LEU A 106 13.451 6.903 -4.758 1.00 0.00 C ATOM 1354 CG LEU A 106 12.254 6.978 -3.791 1.00 0.00 C ATOM 1355 CD1 LEU A 106 12.389 8.100 -2.762 1.00 0.00 C ATOM 1356 CD2 LEU A 106 10.977 7.229 -4.591 1.00 0.00 C ATOM 0 H LEU A 106 15.879 5.664 -5.657 1.00 0.00 H new ATOM 0 HA LEU A 106 15.078 7.411 -3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.502 7.845 -5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.244 6.121 -5.489 1.00 0.00 H new ATOM 0 HG LEU A 106 12.221 6.028 -3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.516 8.102 -2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.287 7.941 -2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.460 9.059 -3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.127 7.283 -3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.067 8.169 -5.135 1.00 0.00 H new ATOM 0 HD23 LEU A 106 10.825 6.414 -5.299 1.00 0.00 H new ATOM 1368 N VAL A 107 14.729 5.263 -2.091 1.00 0.00 N ATOM 1369 CA VAL A 107 14.574 4.004 -1.331 1.00 0.00 C ATOM 1370 C VAL A 107 13.147 3.476 -1.542 1.00 0.00 C ATOM 1371 O VAL A 107 12.199 3.930 -0.902 1.00 0.00 O ATOM 1372 CB VAL A 107 14.951 4.175 0.156 1.00 0.00 C ATOM 1373 CG1 VAL A 107 14.783 2.867 0.942 1.00 0.00 C ATOM 1374 CG2 VAL A 107 16.425 4.584 0.297 1.00 0.00 C ATOM 0 H VAL A 107 14.707 6.105 -1.516 1.00 0.00 H new ATOM 0 HA VAL A 107 15.274 3.258 -1.708 1.00 0.00 H new ATOM 0 HB VAL A 107 14.284 4.941 0.552 1.00 0.00 H new ATOM 0 HG11 VAL A 107 15.059 3.031 1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 107 13.744 2.541 0.888 1.00 0.00 H new ATOM 0 HG13 VAL A 107 15.427 2.099 0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 107 16.671 4.700 1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 107 17.060 3.814 -0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 107 16.591 5.529 -0.220 1.00 0.00 H new ATOM 1384 N THR A 108 12.987 2.564 -2.505 1.00 0.00 N ATOM 1385 CA THR A 108 11.697 1.989 -2.933 1.00 0.00 C ATOM 1386 C THR A 108 11.879 0.614 -3.605 1.00 0.00 C ATOM 1387 O THR A 108 12.982 0.060 -3.625 1.00 0.00 O ATOM 1388 CB THR A 108 10.956 2.987 -3.846 1.00 0.00 C ATOM 1389 OG1 THR A 108 9.597 2.619 -3.954 1.00 0.00 O ATOM 1390 CG2 THR A 108 11.538 3.073 -5.255 1.00 0.00 C ATOM 0 H THR A 108 13.777 2.189 -3.030 1.00 0.00 H new ATOM 0 HA THR A 108 11.084 1.816 -2.049 1.00 0.00 H new ATOM 0 HB THR A 108 11.072 3.965 -3.378 1.00 0.00 H new ATOM 0 HG1 THR A 108 9.130 3.257 -4.533 1.00 0.00 H new ATOM 0 HG21 THR A 108 10.967 3.794 -5.841 1.00 0.00 H new ATOM 0 HG22 THR A 108 12.579 3.393 -5.200 1.00 0.00 H new ATOM 0 HG23 THR A 108 11.484 2.094 -5.731 1.00 0.00 H new ATOM 1398 N LEU A 109 10.793 0.050 -4.142 1.00 0.00 N ATOM 1399 CA LEU A 109 10.693 -1.266 -4.759 1.00 0.00 C ATOM 1400 C LEU A 109 10.633 -1.143 -6.291 1.00 0.00 C ATOM 1401 O LEU A 109 10.446 -0.063 -6.849 1.00 0.00 O ATOM 1402 CB LEU A 109 9.456 -2.004 -4.195 1.00 0.00 C ATOM 1403 CG LEU A 109 9.338 -2.166 -2.663 1.00 0.00 C ATOM 1404 CD1 LEU A 109 10.676 -2.462 -1.982 1.00 0.00 C ATOM 1405 CD2 LEU A 109 8.683 -0.970 -1.965 1.00 0.00 C ATOM 0 H LEU A 109 9.899 0.541 -4.155 1.00 0.00 H new ATOM 0 HA LEU A 109 11.581 -1.850 -4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.567 -1.478 -4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.432 -3.000 -4.638 1.00 0.00 H new ATOM 0 HG LEU A 109 8.684 -3.031 -2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 109 10.523 -2.564 -0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 109 11.089 -3.389 -2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 109 11.370 -1.644 -2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.635 -1.156 -0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.273 -0.072 -2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 109 7.675 -0.829 -2.354 1.00 0.00 H new ATOM 1417 N ALA A 110 10.757 -2.274 -6.980 1.00 0.00 N ATOM 1418 CA ALA A 110 10.840 -2.351 -8.442 1.00 0.00 C ATOM 1419 C ALA A 110 9.493 -2.361 -9.188 1.00 0.00 C ATOM 1420 O ALA A 110 9.437 -2.531 -10.408 1.00 0.00 O ATOM 1421 CB ALA A 110 11.618 -3.627 -8.735 1.00 0.00 C ATOM 0 H ALA A 110 10.804 -3.188 -6.529 1.00 0.00 H new ATOM 0 HA ALA A 110 11.321 -1.444 -8.809 1.00 0.00 H new ATOM 0 HB1 ALA A 110 11.720 -3.751 -9.813 1.00 0.00 H new ATOM 0 HB2 ALA A 110 12.607 -3.562 -8.282 1.00 0.00 H new ATOM 0 HB3 ALA A 110 11.084 -4.482 -8.320 1.00 0.00 H new ATOM 1427 N THR A 111 8.413 -2.204 -8.432 1.00 0.00 N ATOM 1428 CA THR A 111 7.026 -2.422 -8.870 1.00 0.00 C ATOM 1429 C THR A 111 6.063 -1.399 -8.267 1.00 0.00 C ATOM 1430 O THR A 111 4.900 -1.308 -8.682 1.00 0.00 O ATOM 1431 CB THR A 111 6.579 -3.843 -8.476 1.00 0.00 C ATOM 1432 OG1 THR A 111 6.649 -4.001 -7.069 1.00 0.00 O ATOM 1433 CG2 THR A 111 7.420 -4.953 -9.113 1.00 0.00 C ATOM 0 H THR A 111 8.474 -1.910 -7.457 1.00 0.00 H new ATOM 0 HA THR A 111 7.000 -2.302 -9.953 1.00 0.00 H new ATOM 0 HB THR A 111 5.558 -3.942 -8.845 1.00 0.00 H new ATOM 0 HG1 THR A 111 6.362 -4.906 -6.827 1.00 0.00 H new ATOM 0 HG21 THR A 111 7.046 -5.924 -8.789 1.00 0.00 H new ATOM 0 HG22 THR A 111 7.354 -4.882 -10.199 1.00 0.00 H new ATOM 0 HG23 THR A 111 8.460 -4.844 -8.805 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 44Z A 200 1.972 10.645 -11.728 1.00 0.00 N HETATM 1443 C1 44Z A 200 0.422 16.924 -11.638 1.00 0.00 C HETATM 1444 O1 44Z A 200 0.374 18.136 -11.737 1.00 0.00 O HETATM 1445 N1 44Z A 200 -0.643 16.215 -12.046 1.00 0.00 N HETATM 1446 C2 44Z A 200 -0.763 14.754 -11.940 1.00 0.00 C HETATM 1447 C3 44Z A 200 0.223 14.147 -10.922 1.00 0.00 C HETATM 1448 N2 44Z A 200 1.592 14.689 -11.075 1.00 0.00 N HETATM 1449 C4 44Z A 200 1.634 16.178 -11.078 1.00 0.00 C HETATM 1450 C5 44Z A 200 2.731 13.985 -10.839 1.00 0.00 C HETATM 1451 O5 44Z A 200 3.665 14.528 -10.281 1.00 0.00 O HETATM 1452 N3 44Z A 200 2.797 12.684 -11.195 1.00 0.00 N HETATM 1453 C6 44Z A 200 2.064 11.870 -12.095 1.00 0.00 C HETATM 1454 C7 44Z A 200 2.711 10.441 -10.447 1.00 0.00 C HETATM 1455 C8 44Z A 200 3.561 11.745 -10.366 1.00 0.00 C HETATM 1456 CG1 44Z A 200 5.020 11.637 -10.811 1.00 0.00 C HETATM 1457 CD1 44Z A 200 5.426 10.844 -11.891 1.00 0.00 C HETATM 1458 CE1 44Z A 200 6.782 10.687 -12.171 1.00 0.00 C HETATM 1459 CZ1 44Z A 200 7.738 11.348 -11.406 1.00 0.00 C HETATM 1460 CL 44Z A 200 9.426 11.113 -11.703 1.00 0.00 CL HETATM 1461 CE2 44Z A 200 7.334 12.196 -10.384 1.00 0.00 C HETATM 1462 CD2 44Z A 200 5.984 12.348 -10.095 1.00 0.00 C HETATM 1463 CG2 44Z A 200 3.409 9.077 -10.266 1.00 0.00 C HETATM 1464 CD3 44Z A 200 2.935 7.952 -10.952 1.00 0.00 C HETATM 1465 CE3 44Z A 200 3.468 6.685 -10.711 1.00 0.00 C HETATM 1466 CZ2 44Z A 200 4.493 6.523 -9.781 1.00 0.00 C HETATM 1467 CE4 44Z A 200 4.999 7.634 -9.111 1.00 0.00 C HETATM 1468 O4 44Z A 200 6.037 7.524 -8.207 1.00 0.00 O HETATM 1469 CD4 44Z A 200 4.446 8.894 -9.337 1.00 0.00 C HETATM 1470 CG3 44Z A 200 1.437 12.365 -13.363 1.00 0.00 C HETATM 1471 CD5 44Z A 200 0.374 11.623 -13.895 1.00 0.00 C HETATM 1472 CE5 44Z A 200 -0.273 12.021 -15.063 1.00 0.00 C HETATM 1473 CZ3 44Z A 200 0.132 13.174 -15.732 1.00 0.00 C HETATM 1474 CE6 44Z A 200 1.185 13.917 -15.221 1.00 0.00 C HETATM 1475 CD6 44Z A 200 1.854 13.511 -14.067 1.00 0.00 C HETATM 1476 O6 44Z A 200 2.958 14.236 -13.678 1.00 0.00 O HETATM 1477 C9 44Z A 200 4.187 14.198 -14.437 1.00 0.00 C HETATM 1478 CM2 44Z A 200 4.232 15.369 -15.434 1.00 0.00 C HETATM 1479 CM3 44Z A 200 5.342 14.319 -13.431 1.00 0.00 C HETATM 1480 O3 44Z A 200 -0.445 13.605 -16.912 1.00 0.00 O HETATM 1481 CM1 44Z A 200 -1.460 12.852 -17.618 1.00 0.00 C HETATM 1482 CM4 44Z A 200 6.465 6.267 -7.631 1.00 0.00 C