USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 703 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 SER OG : rot -62:sc= 0.964 USER MOD Single : A 20 HIS : no HD1:sc= -0.355 K(o=-0.35,f=-3.4!) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 157:sc= -0.0639 (180deg=-0.674) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= -0.0955 (180deg=-0.623) USER MOD Single : A 32 GLN : amide:sc= -0.532 K(o=-0.53,f=-2.5!) USER MOD Single : A 37 HIS : no HD1:sc= -0.945 K(o=-0.94,f=-1.6) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 44 GLN : amide:sc= -0.0902 X(o=-0.09,f=-0.15) USER MOD Single : A 45 HIS : no HE2:sc= -5.51! C(o=-5.5!,f=-7!) USER MOD Single : A 53 GLN : amide:sc= -0.0457 X(o=-0.046,f=-0.4) USER MOD Single : A 56 LYS NZ :NH3+ 150:sc= -0.185 (180deg=-1) USER MOD Single : A 57 CYS SG : rot 78:sc= 0.4 USER MOD Single : A 60 HIS : no HE2:sc= -0.486 K(o=-0.49,f=-1.6) USER MOD Single : A 71 LYS NZ :NH3+ 143:sc= -0.0667 (180deg=-0.66) USER MOD Single : A 72 TYR OH : rot 9:sc= 0.222 USER MOD Single : A 85 GLN : amide:sc= -1.44! C(o=-1.4!,f=-1.5!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -158:sc= -0.0948 (180deg=-0.729) USER MOD Single : A 88 MET CE :methyl 125:sc= -0.0135 (180deg=-0.452) USER MOD Single : A 90 HIS : no HD1:sc= -0.346 K(o=-0.35,f=-1.2) USER MOD Single : A 95 GLN : amide:sc= -0.0649 X(o=-0.065,f=-0.065) USER MOD Single : A 96 LYS NZ :NH3+ 158:sc= -0.0778 (180deg=-0.707) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.84 X(o=-0.84,f=-0.69) USER MOD Single : A 101 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 102 GLN : amide:sc= -2.74! C(o=-2.7!,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 12 20.083 6.286 -23.331 1.00 0.00 N ATOM 2 CA GLY A 12 19.699 7.635 -22.828 1.00 0.00 C ATOM 3 C GLY A 12 19.975 7.720 -21.337 1.00 0.00 C ATOM 4 O GLY A 12 20.377 8.771 -20.831 1.00 0.00 O ATOM 0 HA2 GLY A 12 20.261 8.405 -23.357 1.00 0.00 H new ATOM 0 HA3 GLY A 12 18.643 7.820 -23.024 1.00 0.00 H new ATOM 10 N GLY A 13 19.759 6.608 -20.629 1.00 0.00 N ATOM 11 CA GLY A 13 19.987 6.556 -19.181 1.00 0.00 C ATOM 12 C GLY A 13 19.726 5.153 -18.660 1.00 0.00 C ATOM 13 O GLY A 13 19.010 4.375 -19.289 1.00 0.00 O ATOM 0 H GLY A 13 19.427 5.732 -21.034 1.00 0.00 H new ATOM 0 HA2 GLY A 13 21.012 6.851 -18.956 1.00 0.00 H new ATOM 0 HA3 GLY A 13 19.333 7.267 -18.676 1.00 0.00 H new ATOM 17 N LEU A 14 20.330 4.832 -17.507 1.00 0.00 N ATOM 18 CA LEU A 14 20.202 3.502 -16.867 1.00 0.00 C ATOM 19 C LEU A 14 19.219 3.553 -15.715 1.00 0.00 C ATOM 20 O LEU A 14 19.333 2.800 -14.746 1.00 0.00 O ATOM 21 CB LEU A 14 21.586 3.048 -16.345 1.00 0.00 C ATOM 22 CG LEU A 14 22.665 3.142 -17.469 1.00 0.00 C ATOM 23 CD1 LEU A 14 24.049 2.762 -16.886 1.00 0.00 C ATOM 24 CD2 LEU A 14 22.306 2.212 -18.678 1.00 0.00 C ATOM 0 H LEU A 14 20.921 5.481 -16.988 1.00 0.00 H new ATOM 0 HA LEU A 14 19.833 2.792 -17.607 1.00 0.00 H new ATOM 0 HB2 LEU A 14 21.881 3.669 -15.499 1.00 0.00 H new ATOM 0 HB3 LEU A 14 21.523 2.023 -15.981 1.00 0.00 H new ATOM 0 HG LEU A 14 22.696 4.167 -17.839 1.00 0.00 H new ATOM 0 HD11 LEU A 14 24.804 2.827 -17.669 1.00 0.00 H new ATOM 0 HD12 LEU A 14 24.304 3.448 -16.078 1.00 0.00 H new ATOM 0 HD13 LEU A 14 24.014 1.743 -16.500 1.00 0.00 H new ATOM 0 HD21 LEU A 14 23.076 2.299 -19.445 1.00 0.00 H new ATOM 0 HD22 LEU A 14 22.248 1.178 -18.337 1.00 0.00 H new ATOM 0 HD23 LEU A 14 21.344 2.511 -19.094 1.00 0.00 H new ATOM 36 N VAL A 15 18.242 4.426 -15.842 1.00 0.00 N ATOM 37 CA VAL A 15 17.194 4.570 -14.839 1.00 0.00 C ATOM 38 C VAL A 15 16.120 3.490 -15.047 1.00 0.00 C ATOM 39 O VAL A 15 15.611 2.942 -14.066 1.00 0.00 O ATOM 40 CB VAL A 15 16.544 5.990 -14.926 1.00 0.00 C ATOM 41 CG1 VAL A 15 15.643 6.240 -13.683 1.00 0.00 C ATOM 42 CG2 VAL A 15 17.661 7.066 -15.021 1.00 0.00 C ATOM 0 H VAL A 15 18.147 5.056 -16.638 1.00 0.00 H new ATOM 0 HA VAL A 15 17.638 4.450 -13.851 1.00 0.00 H new ATOM 0 HB VAL A 15 15.920 6.051 -15.818 1.00 0.00 H new ATOM 0 HG11 VAL A 15 15.195 7.231 -13.752 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.856 5.487 -13.647 1.00 0.00 H new ATOM 0 HG13 VAL A 15 16.247 6.177 -12.778 1.00 0.00 H new ATOM 0 HG21 VAL A 15 17.209 8.056 -15.082 1.00 0.00 H new ATOM 0 HG22 VAL A 15 18.296 7.011 -14.137 1.00 0.00 H new ATOM 0 HG23 VAL A 15 18.264 6.887 -15.912 1.00 0.00 H new ATOM 52 N PRO A 16 15.730 3.188 -16.294 1.00 0.00 N ATOM 53 CA PRO A 16 14.661 2.182 -16.578 1.00 0.00 C ATOM 54 C PRO A 16 15.222 0.766 -16.581 1.00 0.00 C ATOM 55 O PRO A 16 15.621 0.262 -17.632 1.00 0.00 O ATOM 56 CB PRO A 16 14.148 2.604 -17.984 1.00 0.00 C ATOM 57 CG PRO A 16 15.365 3.176 -18.684 1.00 0.00 C ATOM 58 CD PRO A 16 16.276 3.742 -17.577 1.00 0.00 C ATOM 0 HA PRO A 16 13.871 2.167 -15.827 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.742 1.752 -18.529 1.00 0.00 H new ATOM 0 HB3 PRO A 16 13.351 3.344 -17.909 1.00 0.00 H new ATOM 0 HG2 PRO A 16 15.882 2.406 -19.257 1.00 0.00 H new ATOM 0 HG3 PRO A 16 15.077 3.957 -19.388 1.00 0.00 H new ATOM 0 HD2 PRO A 16 17.312 3.439 -17.727 1.00 0.00 H new ATOM 0 HD3 PRO A 16 16.260 4.832 -17.573 1.00 0.00 H new ATOM 66 N ARG A 17 15.240 0.127 -15.406 1.00 0.00 N ATOM 67 CA ARG A 17 15.741 -1.252 -15.270 1.00 0.00 C ATOM 68 C ARG A 17 14.589 -2.200 -14.982 1.00 0.00 C ATOM 69 O ARG A 17 14.720 -3.409 -15.168 1.00 0.00 O ATOM 70 CB ARG A 17 16.771 -1.305 -14.125 1.00 0.00 C ATOM 71 CG ARG A 17 17.985 -0.399 -14.467 1.00 0.00 C ATOM 72 CD ARG A 17 19.013 -0.443 -13.320 1.00 0.00 C ATOM 73 NE ARG A 17 19.481 -1.830 -13.150 1.00 0.00 N ATOM 74 CZ ARG A 17 20.340 -2.406 -14.005 1.00 0.00 C ATOM 75 NH1 ARG A 17 20.780 -1.737 -15.039 1.00 0.00 N ATOM 76 NH2 ARG A 17 20.725 -3.634 -13.813 1.00 0.00 N ATOM 0 H ARG A 17 14.914 0.540 -14.533 1.00 0.00 H new ATOM 0 HA ARG A 17 16.217 -1.560 -16.201 1.00 0.00 H new ATOM 0 HB2 ARG A 17 16.310 -0.975 -13.194 1.00 0.00 H new ATOM 0 HB3 ARG A 17 17.104 -2.331 -13.970 1.00 0.00 H new ATOM 0 HG2 ARG A 17 18.449 -0.733 -15.395 1.00 0.00 H new ATOM 0 HG3 ARG A 17 17.651 0.626 -14.628 1.00 0.00 H new ATOM 0 HD2 ARG A 17 19.854 0.214 -13.542 1.00 0.00 H new ATOM 0 HD3 ARG A 17 18.562 -0.082 -12.396 1.00 0.00 H new ATOM 0 HE ARG A 17 19.140 -2.371 -12.355 1.00 0.00 H new ATOM 0 HH11 ARG A 17 20.470 -0.778 -15.195 1.00 0.00 H new ATOM 0 HH12 ARG A 17 21.433 -2.174 -15.689 1.00 0.00 H new ATOM 0 HH21 ARG A 17 20.374 -4.159 -13.012 1.00 0.00 H new ATOM 0 HH22 ARG A 17 21.378 -4.071 -14.463 1.00 0.00 H new ATOM 90 N GLY A 18 13.462 -1.647 -14.521 1.00 0.00 N ATOM 91 CA GLY A 18 12.288 -2.464 -14.202 1.00 0.00 C ATOM 92 C GLY A 18 12.587 -3.402 -13.036 1.00 0.00 C ATOM 93 O GLY A 18 12.397 -4.616 -13.138 1.00 0.00 O ATOM 0 H GLY A 18 13.339 -0.647 -14.362 1.00 0.00 H new ATOM 0 HA2 GLY A 18 11.447 -1.818 -13.950 1.00 0.00 H new ATOM 0 HA3 GLY A 18 11.994 -3.044 -15.076 1.00 0.00 H new ATOM 97 N SER A 19 13.074 -2.833 -11.926 1.00 0.00 N ATOM 98 CA SER A 19 13.416 -3.627 -10.736 1.00 0.00 C ATOM 99 C SER A 19 13.590 -2.721 -9.517 1.00 0.00 C ATOM 100 O SER A 19 14.558 -2.852 -8.758 1.00 0.00 O ATOM 101 CB SER A 19 14.709 -4.413 -10.994 1.00 0.00 C ATOM 102 OG SER A 19 15.029 -5.164 -9.830 1.00 0.00 O ATOM 0 H SER A 19 13.240 -1.832 -11.826 1.00 0.00 H new ATOM 0 HA SER A 19 12.603 -4.324 -10.534 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.583 -5.077 -11.849 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.523 -3.731 -11.238 1.00 0.00 H new ATOM 0 HG SER A 19 15.189 -4.553 -9.080 1.00 0.00 H new ATOM 108 N HIS A 20 12.643 -1.801 -9.323 1.00 0.00 N ATOM 109 CA HIS A 20 12.700 -0.873 -8.186 1.00 0.00 C ATOM 110 C HIS A 20 11.370 -0.159 -8.021 1.00 0.00 C ATOM 111 O HIS A 20 11.323 0.976 -7.536 1.00 0.00 O ATOM 112 CB HIS A 20 13.835 0.153 -8.416 1.00 0.00 C ATOM 113 CG HIS A 20 13.607 0.879 -9.721 1.00 0.00 C ATOM 114 ND1 HIS A 20 13.760 0.256 -10.948 1.00 0.00 N ATOM 115 CD2 HIS A 20 13.222 2.168 -9.999 1.00 0.00 C ATOM 116 CE1 HIS A 20 13.471 1.162 -11.901 1.00 0.00 C ATOM 117 NE2 HIS A 20 13.138 2.344 -11.376 1.00 0.00 N ATOM 0 H HIS A 20 11.833 -1.677 -9.931 1.00 0.00 H new ATOM 0 HA HIS A 20 12.903 -1.435 -7.274 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.866 0.866 -7.592 1.00 0.00 H new ATOM 0 HB3 HIS A 20 14.799 -0.355 -8.435 1.00 0.00 H new ATOM 0 HD2 HIS A 20 13.016 2.929 -9.261 1.00 0.00 H new ATOM 0 HE1 HIS A 20 13.504 0.958 -12.961 1.00 0.00 H new ATOM 0 HE2 HIS A 20 12.878 3.193 -11.877 1.00 0.00 H new ATOM 125 N MET A 21 10.287 -0.818 -8.423 1.00 0.00 N ATOM 126 CA MET A 21 8.957 -0.222 -8.317 1.00 0.00 C ATOM 127 C MET A 21 8.613 0.061 -6.857 1.00 0.00 C ATOM 128 O MET A 21 7.940 1.044 -6.556 1.00 0.00 O ATOM 129 CB MET A 21 7.901 -1.166 -8.937 1.00 0.00 C ATOM 130 CG MET A 21 6.504 -0.488 -8.953 1.00 0.00 C ATOM 131 SD MET A 21 5.316 -1.560 -9.803 1.00 0.00 S ATOM 132 CE MET A 21 5.492 -0.866 -11.464 1.00 0.00 C ATOM 0 H MET A 21 10.302 -1.757 -8.822 1.00 0.00 H new ATOM 0 HA MET A 21 8.955 0.721 -8.864 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.194 -1.431 -9.953 1.00 0.00 H new ATOM 0 HB3 MET A 21 7.855 -2.093 -8.366 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.170 -0.296 -7.933 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.563 0.477 -9.456 1.00 0.00 H new ATOM 0 HE1 MET A 21 4.833 -1.396 -12.152 1.00 0.00 H new ATOM 0 HE2 MET A 21 5.225 0.191 -11.447 1.00 0.00 H new ATOM 0 HE3 MET A 21 6.525 -0.974 -11.796 1.00 0.00 H new ATOM 142 N ALA A 22 9.071 -0.816 -5.966 1.00 0.00 N ATOM 143 CA ALA A 22 8.798 -0.664 -4.534 1.00 0.00 C ATOM 144 C ALA A 22 9.397 0.639 -4.003 1.00 0.00 C ATOM 145 O ALA A 22 8.699 1.465 -3.416 1.00 0.00 O ATOM 146 CB ALA A 22 9.391 -1.864 -3.766 1.00 0.00 C ATOM 0 H ALA A 22 9.630 -1.635 -6.206 1.00 0.00 H new ATOM 0 HA ALA A 22 7.719 -0.631 -4.386 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.188 -1.751 -2.701 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.936 -2.787 -4.126 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.468 -1.903 -3.928 1.00 0.00 H new ATOM 152 N SER A 23 10.703 0.818 -4.234 1.00 0.00 N ATOM 153 CA SER A 23 11.412 2.024 -3.785 1.00 0.00 C ATOM 154 C SER A 23 10.836 3.257 -4.460 1.00 0.00 C ATOM 155 O SER A 23 10.673 4.305 -3.842 1.00 0.00 O ATOM 156 CB SER A 23 12.913 1.906 -4.101 1.00 0.00 C ATOM 157 OG SER A 23 13.437 0.782 -3.411 1.00 0.00 O ATOM 0 H SER A 23 11.290 0.145 -4.728 1.00 0.00 H new ATOM 0 HA SER A 23 11.283 2.121 -2.707 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.065 1.795 -5.175 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.435 2.813 -3.797 1.00 0.00 H new ATOM 0 HG SER A 23 14.393 0.695 -3.606 1.00 0.00 H new ATOM 163 N LYS A 24 10.549 3.133 -5.752 1.00 0.00 N ATOM 164 CA LYS A 24 10.016 4.258 -6.514 1.00 0.00 C ATOM 165 C LYS A 24 8.684 4.730 -5.924 1.00 0.00 C ATOM 166 O LYS A 24 8.454 5.923 -5.742 1.00 0.00 O ATOM 167 CB LYS A 24 9.813 3.839 -7.991 1.00 0.00 C ATOM 168 CG LYS A 24 9.633 5.095 -8.882 1.00 0.00 C ATOM 169 CD LYS A 24 9.432 4.687 -10.360 1.00 0.00 C ATOM 170 CE LYS A 24 9.327 5.947 -11.242 1.00 0.00 C ATOM 171 NZ LYS A 24 10.632 6.670 -11.183 1.00 0.00 N ATOM 0 H LYS A 24 10.675 2.275 -6.289 1.00 0.00 H new ATOM 0 HA LYS A 24 10.729 5.081 -6.462 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.671 3.260 -8.334 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.938 3.194 -8.077 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.775 5.672 -8.538 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.507 5.740 -8.792 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.266 4.068 -10.692 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.529 4.085 -10.461 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.091 5.672 -12.270 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.520 6.590 -10.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.735 7.270 -12.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.662 7.264 -10.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.410 5.980 -11.152 1.00 0.00 H new ATOM 185 N ARG A 25 7.811 3.770 -5.632 1.00 0.00 N ATOM 186 CA ARG A 25 6.496 4.071 -5.064 1.00 0.00 C ATOM 187 C ARG A 25 6.627 4.514 -3.628 1.00 0.00 C ATOM 188 O ARG A 25 5.742 5.181 -3.101 1.00 0.00 O ATOM 189 CB ARG A 25 5.601 2.818 -5.156 1.00 0.00 C ATOM 190 CG ARG A 25 5.264 2.478 -6.645 1.00 0.00 C ATOM 191 CD ARG A 25 4.108 3.370 -7.160 1.00 0.00 C ATOM 192 NE ARG A 25 3.820 3.037 -8.547 1.00 0.00 N ATOM 193 CZ ARG A 25 4.607 3.444 -9.550 1.00 0.00 C ATOM 194 NH1 ARG A 25 5.683 4.152 -9.305 1.00 0.00 N ATOM 195 NH2 ARG A 25 4.296 3.133 -10.770 1.00 0.00 N ATOM 0 H ARG A 25 7.988 2.776 -5.779 1.00 0.00 H new ATOM 0 HA ARG A 25 6.041 4.884 -5.630 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.106 1.971 -4.691 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.679 2.984 -4.599 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.148 2.624 -7.266 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.985 1.428 -6.730 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.219 3.222 -6.547 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.381 4.422 -7.076 1.00 0.00 H new ATOM 0 HE ARG A 25 2.995 2.477 -8.761 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.925 4.396 -8.345 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.278 4.459 -10.075 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.458 2.583 -10.958 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.889 3.439 -11.541 1.00 0.00 H new ATOM 209 N ASP A 26 7.725 4.132 -2.989 1.00 0.00 N ATOM 210 CA ASP A 26 7.955 4.497 -1.591 1.00 0.00 C ATOM 211 C ASP A 26 8.108 6.009 -1.455 1.00 0.00 C ATOM 212 O ASP A 26 8.033 6.547 -0.356 1.00 0.00 O ATOM 213 CB ASP A 26 9.213 3.784 -1.053 1.00 0.00 C ATOM 214 CG ASP A 26 9.319 3.966 0.465 1.00 0.00 C ATOM 215 OD1 ASP A 26 8.489 3.407 1.159 1.00 0.00 O ATOM 216 OD2 ASP A 26 10.211 4.678 0.903 1.00 0.00 O ATOM 0 H ASP A 26 8.468 3.573 -3.410 1.00 0.00 H new ATOM 0 HA ASP A 26 7.094 4.180 -1.003 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.170 2.722 -1.297 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.103 4.186 -1.537 1.00 0.00 H new ATOM 221 N LYS A 27 8.338 6.685 -2.585 1.00 0.00 N ATOM 222 CA LYS A 27 8.525 8.141 -2.595 1.00 0.00 C ATOM 223 C LYS A 27 7.342 8.838 -1.974 1.00 0.00 C ATOM 224 O LYS A 27 7.483 9.887 -1.355 1.00 0.00 O ATOM 225 CB LYS A 27 8.718 8.618 -4.051 1.00 0.00 C ATOM 226 CG LYS A 27 10.025 8.010 -4.654 1.00 0.00 C ATOM 227 CD LYS A 27 11.269 8.846 -4.234 1.00 0.00 C ATOM 228 CE LYS A 27 12.550 8.205 -4.783 1.00 0.00 C ATOM 229 NZ LYS A 27 12.446 8.128 -6.263 1.00 0.00 N ATOM 0 H LYS A 27 8.399 6.248 -3.505 1.00 0.00 H new ATOM 0 HA LYS A 27 9.409 8.388 -2.007 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.860 8.322 -4.654 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.768 9.706 -4.080 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.142 6.980 -4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.950 7.982 -5.741 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.174 9.865 -4.609 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.323 8.910 -3.147 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.421 8.794 -4.495 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.685 7.209 -4.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.394 8.006 -6.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.848 7.319 -6.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.022 9.005 -6.627 1.00 0.00 H new ATOM 243 N ILE A 28 6.172 8.237 -2.134 1.00 0.00 N ATOM 244 CA ILE A 28 4.950 8.801 -1.574 1.00 0.00 C ATOM 245 C ILE A 28 5.099 9.025 -0.082 1.00 0.00 C ATOM 246 O ILE A 28 4.701 10.051 0.431 1.00 0.00 O ATOM 247 CB ILE A 28 3.743 7.868 -1.864 1.00 0.00 C ATOM 248 CG1 ILE A 28 3.611 7.640 -3.408 1.00 0.00 C ATOM 249 CG2 ILE A 28 2.419 8.473 -1.285 1.00 0.00 C ATOM 250 CD1 ILE A 28 3.357 8.960 -4.188 1.00 0.00 C ATOM 0 H ILE A 28 6.042 7.363 -2.644 1.00 0.00 H new ATOM 0 HA ILE A 28 4.767 9.765 -2.048 1.00 0.00 H new ATOM 0 HB ILE A 28 3.916 6.909 -1.375 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.521 7.171 -3.781 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.793 6.946 -3.600 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.588 7.802 -1.500 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.516 8.596 -0.206 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.231 9.443 -1.745 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.274 8.743 -5.253 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.432 9.417 -3.837 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.187 9.647 -4.021 1.00 0.00 H new ATOM 262 N ALA A 29 5.676 8.058 0.604 1.00 0.00 N ATOM 263 CA ALA A 29 5.862 8.167 2.049 1.00 0.00 C ATOM 264 C ALA A 29 6.617 9.454 2.405 1.00 0.00 C ATOM 265 O ALA A 29 6.344 10.084 3.424 1.00 0.00 O ATOM 266 CB ALA A 29 6.649 6.950 2.554 1.00 0.00 C ATOM 0 H ALA A 29 6.024 7.191 0.194 1.00 0.00 H new ATOM 0 HA ALA A 29 4.883 8.199 2.527 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.789 7.029 3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.096 6.039 2.326 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.622 6.917 2.063 1.00 0.00 H new ATOM 272 N ASP A 30 7.575 9.823 1.549 1.00 0.00 N ATOM 273 CA ASP A 30 8.392 11.024 1.769 1.00 0.00 C ATOM 274 C ASP A 30 7.709 12.274 1.239 1.00 0.00 C ATOM 275 O ASP A 30 7.822 13.346 1.831 1.00 0.00 O ATOM 276 CB ASP A 30 9.761 10.847 1.063 1.00 0.00 C ATOM 277 CG ASP A 30 10.439 9.566 1.555 1.00 0.00 C ATOM 278 OD1 ASP A 30 10.385 9.315 2.748 1.00 0.00 O ATOM 279 OD2 ASP A 30 11.003 8.857 0.734 1.00 0.00 O ATOM 0 H ASP A 30 7.805 9.309 0.698 1.00 0.00 H new ATOM 0 HA ASP A 30 8.530 11.147 2.843 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.620 10.802 -0.017 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.399 11.707 1.266 1.00 0.00 H new ATOM 284 N ILE A 31 7.021 12.137 0.111 1.00 0.00 N ATOM 285 CA ILE A 31 6.349 13.275 -0.524 1.00 0.00 C ATOM 286 C ILE A 31 5.031 13.587 0.158 1.00 0.00 C ATOM 287 O ILE A 31 4.662 14.753 0.310 1.00 0.00 O ATOM 288 CB ILE A 31 6.119 12.979 -2.028 1.00 0.00 C ATOM 289 CG1 ILE A 31 7.507 12.775 -2.745 1.00 0.00 C ATOM 290 CG2 ILE A 31 5.351 14.166 -2.710 1.00 0.00 C ATOM 291 CD1 ILE A 31 7.308 12.194 -4.158 1.00 0.00 C ATOM 0 H ILE A 31 6.911 11.253 -0.385 1.00 0.00 H new ATOM 0 HA ILE A 31 6.991 14.150 -0.423 1.00 0.00 H new ATOM 0 HB ILE A 31 5.520 12.073 -2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.033 13.728 -2.809 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.132 12.105 -2.155 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.198 13.942 -3.766 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.385 14.301 -2.224 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.936 15.081 -2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.278 12.061 -4.636 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.803 11.231 -4.088 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.702 12.879 -4.751 1.00 0.00 H new ATOM 303 N GLN A 32 4.301 12.538 0.519 1.00 0.00 N ATOM 304 CA GLN A 32 2.990 12.699 1.140 1.00 0.00 C ATOM 305 C GLN A 32 3.101 13.589 2.368 1.00 0.00 C ATOM 306 O GLN A 32 2.416 14.608 2.472 1.00 0.00 O ATOM 307 CB GLN A 32 2.413 11.318 1.534 1.00 0.00 C ATOM 308 CG GLN A 32 0.984 11.464 2.132 1.00 0.00 C ATOM 309 CD GLN A 32 0.397 10.098 2.453 1.00 0.00 C ATOM 310 OE1 GLN A 32 0.949 9.369 3.276 1.00 0.00 O ATOM 311 NE2 GLN A 32 -0.688 9.715 1.848 1.00 0.00 N ATOM 0 H GLN A 32 4.593 11.569 0.393 1.00 0.00 H new ATOM 0 HA GLN A 32 2.316 13.169 0.423 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.381 10.670 0.658 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.069 10.839 2.261 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.022 12.071 3.036 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.339 11.986 1.425 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.136 10.329 1.168 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.091 8.801 2.054 1.00 0.00 H new ATOM 320 N GLU A 33 3.972 13.179 3.296 1.00 0.00 N ATOM 321 CA GLU A 33 4.177 13.923 4.535 1.00 0.00 C ATOM 322 C GLU A 33 4.710 15.300 4.229 1.00 0.00 C ATOM 323 O GLU A 33 4.208 16.281 4.758 1.00 0.00 O ATOM 324 CB GLU A 33 5.177 13.187 5.438 1.00 0.00 C ATOM 325 CG GLU A 33 4.644 11.779 5.791 1.00 0.00 C ATOM 326 CD GLU A 33 5.629 11.034 6.697 1.00 0.00 C ATOM 327 OE1 GLU A 33 6.619 11.628 7.105 1.00 0.00 O ATOM 328 OE2 GLU A 33 5.375 9.877 6.973 1.00 0.00 O ATOM 0 H GLU A 33 4.543 12.338 3.210 1.00 0.00 H new ATOM 0 HA GLU A 33 3.219 14.007 5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.140 13.103 4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.344 13.760 6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.679 11.866 6.290 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.481 11.208 4.877 1.00 0.00 H new ATOM 335 N ALA A 34 5.795 15.356 3.432 1.00 0.00 N ATOM 336 CA ALA A 34 6.457 16.621 3.130 1.00 0.00 C ATOM 337 C ALA A 34 5.432 17.691 2.866 1.00 0.00 C ATOM 338 O ALA A 34 5.432 18.666 3.567 1.00 0.00 O ATOM 339 CB ALA A 34 7.327 16.468 1.872 1.00 0.00 C ATOM 0 H ALA A 34 6.222 14.541 2.993 1.00 0.00 H new ATOM 0 HA ALA A 34 7.074 16.898 3.984 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.818 17.416 1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.081 15.699 2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.700 16.180 1.028 1.00 0.00 H new ATOM 345 N LEU A 35 4.549 17.472 1.890 1.00 0.00 N ATOM 346 CA LEU A 35 3.508 18.458 1.599 1.00 0.00 C ATOM 347 C LEU A 35 2.482 18.544 2.734 1.00 0.00 C ATOM 348 O LEU A 35 2.241 19.617 3.284 1.00 0.00 O ATOM 349 CB LEU A 35 2.802 18.050 0.281 1.00 0.00 C ATOM 350 CG LEU A 35 1.510 18.912 0.030 1.00 0.00 C ATOM 351 CD1 LEU A 35 1.863 20.433 -0.025 1.00 0.00 C ATOM 352 CD2 LEU A 35 0.810 18.457 -1.264 1.00 0.00 C ATOM 0 H LEU A 35 4.532 16.640 1.300 1.00 0.00 H new ATOM 0 HA LEU A 35 3.969 19.441 1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.491 18.172 -0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.534 16.994 0.322 1.00 0.00 H new ATOM 0 HG LEU A 35 0.822 18.761 0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.956 21.011 -0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.311 20.737 0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.569 20.613 -0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.083 19.061 -1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.489 18.579 -2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.527 17.408 -1.175 1.00 0.00 H new ATOM 364 N ALA A 36 1.815 17.423 3.020 1.00 0.00 N ATOM 365 CA ALA A 36 0.754 17.401 4.041 1.00 0.00 C ATOM 366 C ALA A 36 1.230 18.102 5.315 1.00 0.00 C ATOM 367 O ALA A 36 0.657 19.095 5.762 1.00 0.00 O ATOM 368 CB ALA A 36 0.380 15.940 4.341 1.00 0.00 C ATOM 0 H ALA A 36 1.985 16.525 2.567 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.123 17.931 3.669 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.405 15.913 5.096 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.023 15.461 3.429 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.257 15.408 4.710 1.00 0.00 H new ATOM 374 N HIS A 37 2.316 17.580 5.854 1.00 0.00 N ATOM 375 CA HIS A 37 2.966 18.104 7.052 1.00 0.00 C ATOM 376 C HIS A 37 3.748 19.366 6.723 1.00 0.00 C ATOM 377 O HIS A 37 4.739 19.667 7.402 1.00 0.00 O ATOM 378 CB HIS A 37 3.889 17.045 7.702 1.00 0.00 C ATOM 379 CG HIS A 37 4.294 17.516 9.083 1.00 0.00 C ATOM 380 ND1 HIS A 37 5.565 17.983 9.366 1.00 0.00 N ATOM 381 CD2 HIS A 37 3.575 17.645 10.244 1.00 0.00 C ATOM 382 CE1 HIS A 37 5.574 18.369 10.654 1.00 0.00 C ATOM 383 NE2 HIS A 37 4.385 18.183 11.236 1.00 0.00 N ATOM 0 H HIS A 37 2.785 16.762 5.466 1.00 0.00 H new ATOM 0 HA HIS A 37 2.188 18.353 7.773 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.373 16.087 7.768 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.773 16.888 7.085 1.00 0.00 H new ATOM 0 HD2 HIS A 37 2.538 17.370 10.368 1.00 0.00 H new ATOM 0 HE1 HIS A 37 6.437 18.779 11.157 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.128 18.391 12.201 1.00 0.00 H new ATOM 391 N ALA A 38 3.342 20.098 5.670 1.00 0.00 N ATOM 392 CA ALA A 38 4.057 21.324 5.283 1.00 0.00 C ATOM 393 C ALA A 38 3.212 22.545 5.445 1.00 0.00 C ATOM 394 O ALA A 38 3.643 23.450 6.155 1.00 0.00 O ATOM 395 CB ALA A 38 4.475 21.261 3.789 1.00 0.00 C ATOM 0 H ALA A 38 2.540 19.868 5.084 1.00 0.00 H new ATOM 0 HA ALA A 38 4.926 21.387 5.939 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.003 22.176 3.520 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.130 20.404 3.630 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.586 21.158 3.167 1.00 0.00 H new ATOM 401 N ASP A 39 2.005 22.551 4.789 1.00 0.00 N ATOM 402 CA ASP A 39 1.053 23.714 4.804 1.00 0.00 C ATOM 403 C ASP A 39 1.698 24.932 5.489 1.00 0.00 C ATOM 404 O ASP A 39 1.156 25.499 6.438 1.00 0.00 O ATOM 405 CB ASP A 39 -0.258 23.332 5.523 1.00 0.00 C ATOM 406 CG ASP A 39 -0.926 22.151 4.825 1.00 0.00 C ATOM 407 OD1 ASP A 39 -1.163 22.259 3.633 1.00 0.00 O ATOM 408 OD2 ASP A 39 -1.192 21.160 5.486 1.00 0.00 O ATOM 0 H ASP A 39 1.669 21.759 4.241 1.00 0.00 H new ATOM 0 HA ASP A 39 0.821 23.977 3.772 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.049 23.077 6.562 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.935 24.186 5.534 1.00 0.00 H new ATOM 413 N ALA A 40 2.928 25.254 5.046 1.00 0.00 N ATOM 414 CA ALA A 40 3.717 26.306 5.673 1.00 0.00 C ATOM 415 C ALA A 40 2.988 27.625 5.620 1.00 0.00 C ATOM 416 O ALA A 40 2.799 28.288 6.641 1.00 0.00 O ATOM 417 CB ALA A 40 5.089 26.434 4.965 1.00 0.00 C ATOM 0 H ALA A 40 3.387 24.797 4.258 1.00 0.00 H new ATOM 0 HA ALA A 40 3.875 26.040 6.718 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.672 27.223 5.441 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.627 25.489 5.041 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.935 26.680 3.914 1.00 0.00 H new ATOM 423 N ASN A 41 2.571 27.994 4.413 1.00 0.00 N ATOM 424 CA ASN A 41 1.858 29.249 4.201 1.00 0.00 C ATOM 425 C ASN A 41 0.394 29.106 4.568 1.00 0.00 C ATOM 426 O ASN A 41 -0.308 30.109 4.684 1.00 0.00 O ATOM 427 CB ASN A 41 1.995 29.666 2.724 1.00 0.00 C ATOM 428 CG ASN A 41 3.471 29.786 2.349 1.00 0.00 C ATOM 429 OD1 ASN A 41 4.229 30.466 3.040 1.00 0.00 O ATOM 430 ND2 ASN A 41 3.923 29.163 1.296 1.00 0.00 N ATOM 0 H ASN A 41 2.714 27.442 3.567 1.00 0.00 H new ATOM 0 HA ASN A 41 2.293 30.016 4.842 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.507 28.931 2.084 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.491 30.618 2.558 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.908 29.238 1.043 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.291 28.600 0.726 1.00 0.00 H new ATOM 437 N ALA A 42 -0.074 27.861 4.730 1.00 0.00 N ATOM 438 CA ALA A 42 -1.482 27.604 5.073 1.00 0.00 C ATOM 439 C ALA A 42 -2.415 28.287 4.063 1.00 0.00 C ATOM 440 O ALA A 42 -3.280 29.083 4.443 1.00 0.00 O ATOM 441 CB ALA A 42 -1.774 28.120 6.503 1.00 0.00 C ATOM 0 H ALA A 42 0.496 27.021 4.630 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.663 26.530 5.036 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.817 27.928 6.753 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.129 27.604 7.215 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.581 29.192 6.550 1.00 0.00 H new ATOM 447 N ASP A 43 -2.229 27.974 2.774 1.00 0.00 N ATOM 448 CA ASP A 43 -3.047 28.561 1.690 1.00 0.00 C ATOM 449 C ASP A 43 -3.980 27.520 1.128 1.00 0.00 C ATOM 450 O ASP A 43 -4.963 27.860 0.470 1.00 0.00 O ATOM 451 CB ASP A 43 -2.129 29.115 0.585 1.00 0.00 C ATOM 452 CG ASP A 43 -1.181 30.164 1.170 1.00 0.00 C ATOM 453 OD1 ASP A 43 -1.580 30.859 2.097 1.00 0.00 O ATOM 454 OD2 ASP A 43 -0.073 30.265 0.677 1.00 0.00 O ATOM 0 H ASP A 43 -1.519 27.317 2.450 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.643 29.380 2.093 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.555 28.304 0.137 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.729 29.558 -0.210 1.00 0.00 H new ATOM 459 N GLN A 44 -3.678 26.251 1.392 1.00 0.00 N ATOM 460 CA GLN A 44 -4.512 25.147 0.920 1.00 0.00 C ATOM 461 C GLN A 44 -4.425 25.012 -0.590 1.00 0.00 C ATOM 462 O GLN A 44 -5.209 24.272 -1.184 1.00 0.00 O ATOM 463 CB GLN A 44 -6.014 25.362 1.342 1.00 0.00 C ATOM 464 CG GLN A 44 -6.753 24.005 1.528 1.00 0.00 C ATOM 465 CD GLN A 44 -6.268 23.333 2.810 1.00 0.00 C ATOM 466 OE1 GLN A 44 -5.457 22.409 2.764 1.00 0.00 O ATOM 467 NE2 GLN A 44 -6.696 23.782 3.952 1.00 0.00 N ATOM 0 H GLN A 44 -2.862 25.961 1.930 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.140 24.232 1.380 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.054 25.930 2.271 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.525 25.955 0.584 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.830 24.169 1.575 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.566 23.357 0.672 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.368 24.549 3.979 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.359 23.368 4.821 1.00 0.00 H new ATOM 476 N HIS A 45 -3.487 25.728 -1.204 1.00 0.00 N ATOM 477 CA HIS A 45 -3.296 25.688 -2.663 1.00 0.00 C ATOM 478 C HIS A 45 -1.917 25.131 -2.945 1.00 0.00 C ATOM 479 O HIS A 45 -1.055 25.122 -2.064 1.00 0.00 O ATOM 480 CB HIS A 45 -3.442 27.109 -3.261 1.00 0.00 C ATOM 481 CG HIS A 45 -3.333 27.048 -4.751 1.00 0.00 C ATOM 482 ND1 HIS A 45 -4.431 26.858 -5.552 1.00 0.00 N ATOM 483 CD2 HIS A 45 -2.261 27.115 -5.581 1.00 0.00 C ATOM 484 CE1 HIS A 45 -3.997 26.820 -6.814 1.00 0.00 C ATOM 485 NE2 HIS A 45 -2.675 26.968 -6.892 1.00 0.00 N ATOM 0 H HIS A 45 -2.841 26.348 -0.716 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.052 25.053 -3.124 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.403 27.536 -2.975 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.670 27.764 -2.858 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -5.398 26.763 -5.241 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -1.239 27.261 -5.265 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.641 26.685 -7.670 1.00 0.00 H new ATOM 493 N LEU A 46 -1.721 24.686 -4.190 1.00 0.00 N ATOM 494 CA LEU A 46 -0.444 24.110 -4.648 1.00 0.00 C ATOM 495 C LEU A 46 0.150 24.917 -5.783 1.00 0.00 C ATOM 496 O LEU A 46 -0.211 24.727 -6.948 1.00 0.00 O ATOM 497 CB LEU A 46 -0.671 22.635 -5.124 1.00 0.00 C ATOM 498 CG LEU A 46 -0.331 21.619 -3.988 1.00 0.00 C ATOM 499 CD1 LEU A 46 -1.194 21.902 -2.709 1.00 0.00 C ATOM 500 CD2 LEU A 46 -0.539 20.176 -4.510 1.00 0.00 C ATOM 0 H LEU A 46 -2.441 24.713 -4.912 1.00 0.00 H new ATOM 0 HA LEU A 46 0.254 24.130 -3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.708 22.505 -5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.050 22.431 -5.996 1.00 0.00 H new ATOM 0 HG LEU A 46 0.714 21.736 -3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.939 21.182 -1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.991 22.911 -2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.252 21.810 -2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.302 19.465 -3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.577 20.046 -4.816 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.116 20.000 -5.364 1.00 0.00 H new ATOM 512 N ASP A 47 1.080 25.795 -5.432 1.00 0.00 N ATOM 513 CA ASP A 47 1.789 26.608 -6.403 1.00 0.00 C ATOM 514 C ASP A 47 3.131 25.948 -6.646 1.00 0.00 C ATOM 515 O ASP A 47 3.741 25.433 -5.705 1.00 0.00 O ATOM 516 CB ASP A 47 1.988 28.033 -5.851 1.00 0.00 C ATOM 517 CG ASP A 47 2.725 28.018 -4.504 1.00 0.00 C ATOM 518 OD1 ASP A 47 2.556 27.066 -3.760 1.00 0.00 O ATOM 519 OD2 ASP A 47 3.443 28.966 -4.239 1.00 0.00 O ATOM 0 H ASP A 47 1.362 25.961 -4.466 1.00 0.00 H new ATOM 0 HA ASP A 47 1.225 26.684 -7.332 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.553 28.627 -6.569 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.018 28.516 -5.731 1.00 0.00 H new ATOM 524 N PHE A 48 3.563 25.958 -7.907 1.00 0.00 N ATOM 525 CA PHE A 48 4.834 25.356 -8.320 1.00 0.00 C ATOM 526 C PHE A 48 5.920 25.541 -7.277 1.00 0.00 C ATOM 527 O PHE A 48 6.592 24.599 -6.934 1.00 0.00 O ATOM 528 CB PHE A 48 5.328 26.012 -9.660 1.00 0.00 C ATOM 529 CG PHE A 48 5.336 24.969 -10.780 1.00 0.00 C ATOM 530 CD1 PHE A 48 6.282 23.921 -10.731 1.00 0.00 C ATOM 531 CD2 PHE A 48 4.411 25.032 -11.836 1.00 0.00 C ATOM 532 CE1 PHE A 48 6.302 22.956 -11.737 1.00 0.00 C ATOM 533 CE2 PHE A 48 4.439 24.063 -12.837 1.00 0.00 C ATOM 534 CZ PHE A 48 5.385 23.027 -12.789 1.00 0.00 C ATOM 0 H PHE A 48 3.042 26.384 -8.673 1.00 0.00 H new ATOM 0 HA PHE A 48 4.651 24.289 -8.451 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.676 26.843 -9.930 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.329 26.422 -9.527 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.988 23.867 -9.916 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.682 25.828 -11.872 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.025 22.155 -11.703 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.731 24.109 -13.652 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.404 22.281 -13.569 1.00 0.00 H new ATOM 544 N ASP A 49 6.054 26.768 -6.768 1.00 0.00 N ATOM 545 CA ASP A 49 7.077 27.080 -5.768 1.00 0.00 C ATOM 546 C ASP A 49 7.093 26.050 -4.644 1.00 0.00 C ATOM 547 O ASP A 49 8.121 25.425 -4.375 1.00 0.00 O ATOM 548 CB ASP A 49 6.806 28.481 -5.175 1.00 0.00 C ATOM 549 CG ASP A 49 6.752 29.521 -6.296 1.00 0.00 C ATOM 550 OD1 ASP A 49 7.688 29.557 -7.078 1.00 0.00 O ATOM 551 OD2 ASP A 49 5.784 30.263 -6.356 1.00 0.00 O ATOM 0 H ASP A 49 5.468 27.560 -7.031 1.00 0.00 H new ATOM 0 HA ASP A 49 8.049 27.060 -6.261 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.865 28.477 -4.626 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.589 28.742 -4.463 1.00 0.00 H new ATOM 556 N GLU A 50 5.938 25.875 -4.007 1.00 0.00 N ATOM 557 CA GLU A 50 5.820 24.920 -2.913 1.00 0.00 C ATOM 558 C GLU A 50 6.187 23.513 -3.381 1.00 0.00 C ATOM 559 O GLU A 50 7.008 22.856 -2.776 1.00 0.00 O ATOM 560 CB GLU A 50 4.375 24.912 -2.364 1.00 0.00 C ATOM 561 CG GLU A 50 4.275 24.050 -1.069 1.00 0.00 C ATOM 562 CD GLU A 50 2.854 24.054 -0.504 1.00 0.00 C ATOM 563 OE1 GLU A 50 1.938 24.421 -1.226 1.00 0.00 O ATOM 564 OE2 GLU A 50 2.705 23.689 0.648 1.00 0.00 O ATOM 0 H GLU A 50 5.079 26.378 -4.228 1.00 0.00 H new ATOM 0 HA GLU A 50 6.509 25.224 -2.125 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.057 25.933 -2.151 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.697 24.518 -3.121 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.578 23.026 -1.287 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.967 24.435 -0.320 1.00 0.00 H new ATOM 571 N TRP A 51 5.564 23.072 -4.467 1.00 0.00 N ATOM 572 CA TRP A 51 5.819 21.732 -4.992 1.00 0.00 C ATOM 573 C TRP A 51 7.232 21.619 -5.549 1.00 0.00 C ATOM 574 O TRP A 51 7.759 20.516 -5.698 1.00 0.00 O ATOM 575 CB TRP A 51 4.794 21.421 -6.110 1.00 0.00 C ATOM 576 CG TRP A 51 4.932 19.982 -6.540 1.00 0.00 C ATOM 577 CD1 TRP A 51 5.612 19.555 -7.620 1.00 0.00 C ATOM 578 CD2 TRP A 51 4.424 18.793 -5.880 1.00 0.00 C ATOM 579 NE1 TRP A 51 5.536 18.178 -7.684 1.00 0.00 N ATOM 580 CE2 TRP A 51 4.809 17.661 -6.633 1.00 0.00 C ATOM 581 CE3 TRP A 51 3.662 18.592 -4.715 1.00 0.00 C ATOM 582 CZ2 TRP A 51 4.454 16.372 -6.252 1.00 0.00 C ATOM 583 CZ3 TRP A 51 3.303 17.289 -4.324 1.00 0.00 C ATOM 584 CH2 TRP A 51 3.698 16.183 -5.092 1.00 0.00 C ATOM 0 H TRP A 51 4.884 23.615 -4.999 1.00 0.00 H new ATOM 0 HA TRP A 51 5.717 21.015 -4.178 1.00 0.00 H new ATOM 0 HB2 TRP A 51 3.782 21.608 -5.751 1.00 0.00 H new ATOM 0 HB3 TRP A 51 4.958 22.082 -6.961 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.133 20.188 -8.323 1.00 0.00 H new ATOM 0 HE1 TRP A 51 5.964 17.613 -8.418 1.00 0.00 H new ATOM 0 HE3 TRP A 51 3.352 19.438 -4.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.760 15.524 -6.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 2.720 17.139 -3.427 1.00 0.00 H new ATOM 0 HH2 TRP A 51 3.418 15.186 -4.787 1.00 0.00 H new ATOM 595 N ARG A 52 7.823 22.762 -5.880 1.00 0.00 N ATOM 596 CA ARG A 52 9.163 22.776 -6.458 1.00 0.00 C ATOM 597 C ARG A 52 10.267 22.666 -5.416 1.00 0.00 C ATOM 598 O ARG A 52 11.058 21.736 -5.436 1.00 0.00 O ATOM 599 CB ARG A 52 9.362 24.091 -7.261 1.00 0.00 C ATOM 600 CG ARG A 52 10.748 24.112 -7.976 1.00 0.00 C ATOM 601 CD ARG A 52 10.891 25.382 -8.830 1.00 0.00 C ATOM 602 NE ARG A 52 9.860 25.383 -9.879 1.00 0.00 N ATOM 603 CZ ARG A 52 9.919 24.565 -10.940 1.00 0.00 C ATOM 604 NH1 ARG A 52 10.912 23.724 -11.069 1.00 0.00 N ATOM 605 NH2 ARG A 52 8.980 24.602 -11.840 1.00 0.00 N ATOM 0 H ARG A 52 7.401 23.683 -5.760 1.00 0.00 H new ATOM 0 HA ARG A 52 9.237 21.901 -7.103 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.567 24.193 -8.000 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.284 24.946 -6.589 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.547 24.072 -7.236 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.853 23.229 -8.606 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.789 26.268 -8.204 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.883 25.422 -9.280 1.00 0.00 H new ATOM 0 HE ARG A 52 9.074 26.028 -9.797 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.645 23.688 -10.361 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.953 23.104 -11.878 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.201 25.252 -11.738 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.023 23.981 -12.648 1.00 0.00 H new ATOM 619 N GLN A 53 10.318 23.660 -4.538 1.00 0.00 N ATOM 620 CA GLN A 53 11.377 23.743 -3.528 1.00 0.00 C ATOM 621 C GLN A 53 11.257 22.666 -2.485 1.00 0.00 C ATOM 622 O GLN A 53 12.265 22.118 -2.017 1.00 0.00 O ATOM 623 CB GLN A 53 11.331 25.134 -2.831 1.00 0.00 C ATOM 624 CG GLN A 53 11.516 26.280 -3.859 1.00 0.00 C ATOM 625 CD GLN A 53 12.918 26.226 -4.480 1.00 0.00 C ATOM 626 OE1 GLN A 53 13.900 26.028 -3.764 1.00 0.00 O ATOM 627 NE2 GLN A 53 13.065 26.374 -5.764 1.00 0.00 N ATOM 0 H GLN A 53 9.641 24.422 -4.501 1.00 0.00 H new ATOM 0 HA GLN A 53 12.327 23.605 -4.044 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.378 25.254 -2.315 1.00 0.00 H new ATOM 0 HB3 GLN A 53 12.113 25.191 -2.074 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.762 26.199 -4.642 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.366 27.242 -3.370 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.250 26.538 -6.355 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.995 26.326 -6.180 1.00 0.00 H new ATOM 636 N GLU A 54 10.022 22.378 -2.102 1.00 0.00 N ATOM 637 CA GLU A 54 9.775 21.396 -1.059 1.00 0.00 C ATOM 638 C GLU A 54 10.351 20.029 -1.393 1.00 0.00 C ATOM 639 O GLU A 54 11.119 19.474 -0.621 1.00 0.00 O ATOM 640 CB GLU A 54 8.254 21.249 -0.822 1.00 0.00 C ATOM 641 CG GLU A 54 7.969 20.343 0.409 1.00 0.00 C ATOM 642 CD GLU A 54 6.476 20.177 0.606 1.00 0.00 C ATOM 643 OE1 GLU A 54 5.906 19.330 -0.064 1.00 0.00 O ATOM 644 OE2 GLU A 54 5.923 20.899 1.415 1.00 0.00 O ATOM 0 H GLU A 54 9.183 22.806 -2.494 1.00 0.00 H new ATOM 0 HA GLU A 54 10.273 21.761 -0.161 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.810 22.232 -0.666 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.783 20.824 -1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.434 19.368 0.267 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.414 20.781 1.302 1.00 0.00 H new ATOM 651 N LEU A 55 9.948 19.491 -2.536 1.00 0.00 N ATOM 652 CA LEU A 55 10.383 18.159 -2.952 1.00 0.00 C ATOM 653 C LEU A 55 11.841 18.131 -3.283 1.00 0.00 C ATOM 654 O LEU A 55 12.501 17.127 -3.078 1.00 0.00 O ATOM 655 CB LEU A 55 9.558 17.677 -4.181 1.00 0.00 C ATOM 656 CG LEU A 55 8.216 17.013 -3.735 1.00 0.00 C ATOM 657 CD1 LEU A 55 7.302 18.041 -3.007 1.00 0.00 C ATOM 658 CD2 LEU A 55 7.505 16.422 -4.969 1.00 0.00 C ATOM 0 H LEU A 55 9.321 19.954 -3.194 1.00 0.00 H new ATOM 0 HA LEU A 55 10.213 17.485 -2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.348 18.523 -4.836 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.145 16.964 -4.759 1.00 0.00 H new ATOM 0 HG LEU A 55 8.432 16.211 -3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.374 17.554 -2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.814 18.422 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.076 18.868 -3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.568 15.958 -4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.298 17.217 -5.685 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.146 15.673 -5.434 1.00 0.00 H new ATOM 670 N LYS A 56 12.331 19.192 -3.878 1.00 0.00 N ATOM 671 CA LYS A 56 13.711 19.207 -4.324 1.00 0.00 C ATOM 672 C LYS A 56 14.694 18.862 -3.207 1.00 0.00 C ATOM 673 O LYS A 56 15.600 18.050 -3.408 1.00 0.00 O ATOM 674 CB LYS A 56 14.047 20.599 -4.862 1.00 0.00 C ATOM 675 CG LYS A 56 15.421 20.593 -5.600 1.00 0.00 C ATOM 676 CD LYS A 56 15.832 22.041 -6.025 1.00 0.00 C ATOM 677 CE LYS A 56 16.643 22.727 -4.899 1.00 0.00 C ATOM 678 NZ LYS A 56 17.917 21.972 -4.710 1.00 0.00 N ATOM 0 H LYS A 56 11.807 20.047 -4.065 1.00 0.00 H new ATOM 0 HA LYS A 56 13.811 18.447 -5.099 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.264 20.928 -5.545 1.00 0.00 H new ATOM 0 HB3 LYS A 56 14.074 21.314 -4.040 1.00 0.00 H new ATOM 0 HG2 LYS A 56 16.186 20.170 -4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 56 15.362 19.954 -6.481 1.00 0.00 H new ATOM 0 HD2 LYS A 56 16.426 22.003 -6.938 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.941 22.628 -6.248 1.00 0.00 H new ATOM 0 HE2 LYS A 56 16.852 23.764 -5.160 1.00 0.00 H new ATOM 0 HE3 LYS A 56 16.069 22.741 -3.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 18.660 22.622 -4.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 17.775 21.224 -4.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 18.204 21.544 -5.613 1.00 0.00 H new ATOM 692 N CYS A 57 14.522 19.489 -2.046 1.00 0.00 N ATOM 693 CA CYS A 57 15.428 19.263 -0.919 1.00 0.00 C ATOM 694 C CYS A 57 15.411 17.804 -0.477 1.00 0.00 C ATOM 695 O CYS A 57 16.252 17.384 0.314 1.00 0.00 O ATOM 696 CB CYS A 57 15.006 20.171 0.252 1.00 0.00 C ATOM 697 SG CYS A 57 15.086 21.901 -0.266 1.00 0.00 S ATOM 0 H CYS A 57 13.770 20.153 -1.860 1.00 0.00 H new ATOM 0 HA CYS A 57 16.444 19.503 -1.234 1.00 0.00 H new ATOM 0 HB2 CYS A 57 13.994 19.923 0.572 1.00 0.00 H new ATOM 0 HB3 CYS A 57 15.660 20.006 1.108 1.00 0.00 H new ATOM 0 HG CYS A 57 14.041 22.188 -0.985 1.00 0.00 H new ATOM 703 N ARG A 58 14.432 17.044 -0.977 1.00 0.00 N ATOM 704 CA ARG A 58 14.277 15.627 -0.611 1.00 0.00 C ATOM 705 C ARG A 58 15.153 14.747 -1.469 1.00 0.00 C ATOM 706 O ARG A 58 14.882 13.556 -1.619 1.00 0.00 O ATOM 707 CB ARG A 58 12.788 15.210 -0.747 1.00 0.00 C ATOM 708 CG ARG A 58 11.877 16.191 0.043 1.00 0.00 C ATOM 709 CD ARG A 58 12.143 16.103 1.568 1.00 0.00 C ATOM 710 NE ARG A 58 11.091 16.816 2.284 1.00 0.00 N ATOM 711 CZ ARG A 58 11.048 18.148 2.340 1.00 0.00 C ATOM 712 NH1 ARG A 58 11.957 18.866 1.728 1.00 0.00 N ATOM 713 NH2 ARG A 58 10.099 18.728 3.007 1.00 0.00 N ATOM 0 H ARG A 58 13.733 17.384 -1.637 1.00 0.00 H new ATOM 0 HA ARG A 58 14.590 15.500 0.425 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.500 15.203 -1.798 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.652 14.195 -0.372 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.053 17.210 -0.301 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.831 15.962 -0.160 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.171 15.060 1.884 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.116 16.534 1.804 1.00 0.00 H new ATOM 0 HE ARG A 58 10.365 16.279 2.757 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.703 18.407 1.205 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.919 19.884 1.774 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.393 18.166 3.483 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.058 19.746 3.055 1.00 0.00 H new ATOM 727 N GLY A 59 16.221 15.325 -2.010 1.00 0.00 N ATOM 728 CA GLY A 59 17.162 14.573 -2.837 1.00 0.00 C ATOM 729 C GLY A 59 16.689 14.492 -4.272 1.00 0.00 C ATOM 730 O GLY A 59 17.235 13.718 -5.055 1.00 0.00 O ATOM 0 H GLY A 59 16.457 16.310 -1.892 1.00 0.00 H new ATOM 0 HA2 GLY A 59 18.142 15.049 -2.801 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.281 13.567 -2.434 1.00 0.00 H new ATOM 734 N HIS A 60 15.673 15.297 -4.623 1.00 0.00 N ATOM 735 CA HIS A 60 15.123 15.326 -5.996 1.00 0.00 C ATOM 736 C HIS A 60 15.645 16.562 -6.713 1.00 0.00 C ATOM 737 O HIS A 60 15.958 17.569 -6.084 1.00 0.00 O ATOM 738 CB HIS A 60 13.570 15.369 -5.943 1.00 0.00 C ATOM 739 CG HIS A 60 13.030 14.001 -5.651 1.00 0.00 C ATOM 740 ND1 HIS A 60 12.538 13.187 -6.654 1.00 0.00 N ATOM 741 CD2 HIS A 60 12.930 13.281 -4.496 1.00 0.00 C ATOM 742 CE1 HIS A 60 12.167 12.033 -6.088 1.00 0.00 C ATOM 743 NE2 HIS A 60 12.386 12.040 -4.768 1.00 0.00 N ATOM 0 H HIS A 60 15.213 15.938 -3.977 1.00 0.00 H new ATOM 0 HA HIS A 60 15.433 14.429 -6.532 1.00 0.00 H new ATOM 0 HB2 HIS A 60 13.243 16.070 -5.175 1.00 0.00 H new ATOM 0 HB3 HIS A 60 13.175 15.730 -6.893 1.00 0.00 H new ATOM 0 HD1 HIS A 60 12.470 13.423 -7.644 1.00 0.00 H new ATOM 0 HD2 HIS A 60 13.230 13.628 -3.518 1.00 0.00 H new ATOM 0 HE1 HIS A 60 11.744 11.200 -6.629 1.00 0.00 H new ATOM 751 N ALA A 61 15.744 16.462 -8.044 1.00 0.00 N ATOM 752 CA ALA A 61 16.224 17.563 -8.878 1.00 0.00 C ATOM 753 C ALA A 61 15.070 18.506 -9.170 1.00 0.00 C ATOM 754 O ALA A 61 13.929 18.222 -8.834 1.00 0.00 O ATOM 755 CB ALA A 61 16.799 17.002 -10.195 1.00 0.00 C ATOM 0 H ALA A 61 15.495 15.622 -8.567 1.00 0.00 H new ATOM 0 HA ALA A 61 17.010 18.108 -8.355 1.00 0.00 H new ATOM 0 HB1 ALA A 61 17.156 17.824 -10.815 1.00 0.00 H new ATOM 0 HB2 ALA A 61 17.627 16.329 -9.973 1.00 0.00 H new ATOM 0 HB3 ALA A 61 16.021 16.456 -10.729 1.00 0.00 H new ATOM 761 N ASP A 62 15.386 19.637 -9.789 1.00 0.00 N ATOM 762 CA ASP A 62 14.377 20.647 -10.133 1.00 0.00 C ATOM 763 C ASP A 62 13.578 20.236 -11.369 1.00 0.00 C ATOM 764 O ASP A 62 12.387 20.535 -11.473 1.00 0.00 O ATOM 765 CB ASP A 62 15.077 21.999 -10.415 1.00 0.00 C ATOM 766 CG ASP A 62 16.122 21.835 -11.531 1.00 0.00 C ATOM 767 OD1 ASP A 62 17.058 21.081 -11.325 1.00 0.00 O ATOM 768 OD2 ASP A 62 15.963 22.458 -12.571 1.00 0.00 O ATOM 0 H ASP A 62 16.336 19.884 -10.067 1.00 0.00 H new ATOM 0 HA ASP A 62 13.691 20.740 -9.291 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.338 22.745 -10.706 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.558 22.364 -9.507 1.00 0.00 H new ATOM 773 N ALA A 63 14.247 19.561 -12.309 1.00 0.00 N ATOM 774 CA ALA A 63 13.607 19.128 -13.557 1.00 0.00 C ATOM 775 C ALA A 63 12.747 17.894 -13.350 1.00 0.00 C ATOM 776 O ALA A 63 11.657 17.798 -13.890 1.00 0.00 O ATOM 777 CB ALA A 63 14.689 18.819 -14.615 1.00 0.00 C ATOM 0 H ALA A 63 15.231 19.302 -12.230 1.00 0.00 H new ATOM 0 HA ALA A 63 12.963 19.939 -13.898 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.211 18.498 -15.541 1.00 0.00 H new ATOM 0 HB2 ALA A 63 15.280 19.715 -14.804 1.00 0.00 H new ATOM 0 HB3 ALA A 63 15.340 18.026 -14.248 1.00 0.00 H new ATOM 783 N ASP A 64 13.257 16.932 -12.583 1.00 0.00 N ATOM 784 CA ASP A 64 12.536 15.675 -12.352 1.00 0.00 C ATOM 785 C ASP A 64 11.132 15.923 -11.810 1.00 0.00 C ATOM 786 O ASP A 64 10.183 15.231 -12.183 1.00 0.00 O ATOM 787 CB ASP A 64 13.325 14.793 -11.359 1.00 0.00 C ATOM 788 CG ASP A 64 12.676 13.402 -11.245 1.00 0.00 C ATOM 789 OD1 ASP A 64 12.384 12.829 -12.282 1.00 0.00 O ATOM 790 OD2 ASP A 64 12.466 12.946 -10.132 1.00 0.00 O ATOM 0 H ASP A 64 14.160 16.995 -12.113 1.00 0.00 H new ATOM 0 HA ASP A 64 12.443 15.164 -13.310 1.00 0.00 H new ATOM 0 HB2 ASP A 64 14.358 14.693 -11.693 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.351 15.271 -10.380 1.00 0.00 H new ATOM 795 N ILE A 65 11.015 16.912 -10.928 1.00 0.00 N ATOM 796 CA ILE A 65 9.729 17.239 -10.317 1.00 0.00 C ATOM 797 C ILE A 65 8.702 17.619 -11.372 1.00 0.00 C ATOM 798 O ILE A 65 7.500 17.517 -11.127 1.00 0.00 O ATOM 799 CB ILE A 65 9.922 18.420 -9.317 1.00 0.00 C ATOM 800 CG1 ILE A 65 10.803 17.958 -8.107 1.00 0.00 C ATOM 801 CG2 ILE A 65 8.533 18.932 -8.797 1.00 0.00 C ATOM 802 CD1 ILE A 65 11.256 19.170 -7.270 1.00 0.00 C ATOM 0 H ILE A 65 11.791 17.499 -10.621 1.00 0.00 H new ATOM 0 HA ILE A 65 9.360 16.360 -9.789 1.00 0.00 H new ATOM 0 HB ILE A 65 10.424 19.236 -9.837 1.00 0.00 H new ATOM 0 HG12 ILE A 65 10.237 17.268 -7.481 1.00 0.00 H new ATOM 0 HG13 ILE A 65 11.675 17.415 -8.472 1.00 0.00 H new ATOM 0 HG21 ILE A 65 8.687 19.756 -8.100 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.933 19.276 -9.640 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.013 18.120 -8.289 1.00 0.00 H new ATOM 0 HD11 ILE A 65 11.867 18.827 -6.435 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.841 19.845 -7.894 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.381 19.696 -6.888 1.00 0.00 H new ATOM 814 N GLU A 66 9.175 18.092 -12.517 1.00 0.00 N ATOM 815 CA GLU A 66 8.278 18.531 -13.582 1.00 0.00 C ATOM 816 C GLU A 66 7.445 17.371 -14.088 1.00 0.00 C ATOM 817 O GLU A 66 6.263 17.519 -14.317 1.00 0.00 O ATOM 818 CB GLU A 66 9.106 19.117 -14.752 1.00 0.00 C ATOM 819 CG GLU A 66 9.967 20.316 -14.262 1.00 0.00 C ATOM 820 CD GLU A 66 9.071 21.496 -13.867 1.00 0.00 C ATOM 821 OE1 GLU A 66 8.180 21.811 -14.638 1.00 0.00 O ATOM 822 OE2 GLU A 66 9.283 22.059 -12.804 1.00 0.00 O ATOM 0 H GLU A 66 10.168 18.182 -12.733 1.00 0.00 H new ATOM 0 HA GLU A 66 7.612 19.295 -13.182 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.752 18.345 -15.171 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.439 19.443 -15.550 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.573 20.011 -13.409 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.656 20.622 -15.049 1.00 0.00 H new ATOM 829 N ALA A 67 8.082 16.216 -14.254 1.00 0.00 N ATOM 830 CA ALA A 67 7.383 15.034 -14.761 1.00 0.00 C ATOM 831 C ALA A 67 6.169 14.685 -13.907 1.00 0.00 C ATOM 832 O ALA A 67 5.050 14.552 -14.417 1.00 0.00 O ATOM 833 CB ALA A 67 8.349 13.831 -14.785 1.00 0.00 C ATOM 0 H ALA A 67 9.070 16.071 -14.048 1.00 0.00 H new ATOM 0 HA ALA A 67 7.035 15.261 -15.769 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.826 12.952 -15.163 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.195 14.057 -15.434 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.709 13.633 -13.775 1.00 0.00 H new ATOM 839 N VAL A 68 6.403 14.536 -12.598 1.00 0.00 N ATOM 840 CA VAL A 68 5.335 14.169 -11.674 1.00 0.00 C ATOM 841 C VAL A 68 4.243 15.231 -11.665 1.00 0.00 C ATOM 842 O VAL A 68 3.054 14.912 -11.731 1.00 0.00 O ATOM 843 CB VAL A 68 5.915 13.995 -10.237 1.00 0.00 C ATOM 844 CG1 VAL A 68 4.798 13.529 -9.246 1.00 0.00 C ATOM 845 CG2 VAL A 68 7.071 12.955 -10.262 1.00 0.00 C ATOM 0 H VAL A 68 7.316 14.664 -12.162 1.00 0.00 H new ATOM 0 HA VAL A 68 4.899 13.226 -12.005 1.00 0.00 H new ATOM 0 HB VAL A 68 6.300 14.956 -9.895 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.222 13.413 -8.248 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.003 14.274 -9.218 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.390 12.575 -9.580 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.475 12.835 -9.257 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.691 11.997 -10.617 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.859 13.303 -10.930 1.00 0.00 H new ATOM 855 N PHE A 69 4.656 16.494 -11.542 1.00 0.00 N ATOM 856 CA PHE A 69 3.703 17.594 -11.479 1.00 0.00 C ATOM 857 C PHE A 69 2.990 17.766 -12.816 1.00 0.00 C ATOM 858 O PHE A 69 1.769 17.807 -12.865 1.00 0.00 O ATOM 859 CB PHE A 69 4.440 18.889 -11.104 1.00 0.00 C ATOM 860 CG PHE A 69 3.409 20.023 -10.925 1.00 0.00 C ATOM 861 CD1 PHE A 69 2.763 20.199 -9.685 1.00 0.00 C ATOM 862 CD2 PHE A 69 3.083 20.867 -12.008 1.00 0.00 C ATOM 863 CE1 PHE A 69 1.812 21.214 -9.529 1.00 0.00 C ATOM 864 CE2 PHE A 69 2.134 21.881 -11.845 1.00 0.00 C ATOM 865 CZ PHE A 69 1.499 22.056 -10.608 1.00 0.00 C ATOM 0 H PHE A 69 5.635 16.775 -11.485 1.00 0.00 H new ATOM 0 HA PHE A 69 2.954 17.369 -10.720 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.006 18.746 -10.183 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.157 19.152 -11.881 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.002 19.551 -8.855 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.567 20.730 -12.964 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.319 21.350 -8.578 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.890 22.530 -12.673 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.767 22.840 -10.484 1.00 0.00 H new ATOM 875 N ALA A 70 3.779 17.928 -13.887 1.00 0.00 N ATOM 876 CA ALA A 70 3.248 18.149 -15.253 1.00 0.00 C ATOM 877 C ALA A 70 2.049 17.263 -15.527 1.00 0.00 C ATOM 878 O ALA A 70 1.020 17.718 -16.023 1.00 0.00 O ATOM 879 CB ALA A 70 4.334 17.845 -16.305 1.00 0.00 C ATOM 0 H ALA A 70 4.798 17.911 -13.839 1.00 0.00 H new ATOM 0 HA ALA A 70 2.943 19.193 -15.319 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.930 18.012 -17.304 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.189 18.502 -16.145 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.651 16.807 -16.211 1.00 0.00 H new ATOM 885 N LYS A 71 2.178 15.999 -15.153 1.00 0.00 N ATOM 886 CA LYS A 71 1.118 15.017 -15.316 1.00 0.00 C ATOM 887 C LYS A 71 -0.218 15.479 -14.715 1.00 0.00 C ATOM 888 O LYS A 71 -1.255 14.862 -14.939 1.00 0.00 O ATOM 889 CB LYS A 71 1.527 13.672 -14.661 1.00 0.00 C ATOM 890 CG LYS A 71 0.449 12.546 -14.972 1.00 0.00 C ATOM 891 CD LYS A 71 -0.382 12.189 -13.700 1.00 0.00 C ATOM 892 CE LYS A 71 -1.503 11.201 -14.071 1.00 0.00 C ATOM 893 NZ LYS A 71 -0.884 10.007 -14.705 1.00 0.00 N ATOM 0 H LYS A 71 3.025 15.624 -14.726 1.00 0.00 H new ATOM 0 HA LYS A 71 0.975 14.891 -16.389 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.503 13.362 -15.035 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.625 13.801 -13.583 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.220 12.888 -15.762 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.950 11.652 -15.344 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.267 11.750 -12.942 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.810 13.094 -13.268 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.063 10.911 -13.182 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.211 11.670 -14.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.398 9.152 -14.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.930 10.100 -15.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.110 9.932 -14.408 1.00 0.00 H new ATOM 907 N TYR A 72 -0.174 16.568 -13.956 1.00 0.00 N ATOM 908 CA TYR A 72 -1.360 17.118 -13.302 1.00 0.00 C ATOM 909 C TYR A 72 -1.907 18.319 -14.059 1.00 0.00 C ATOM 910 O TYR A 72 -3.126 18.465 -14.193 1.00 0.00 O ATOM 911 CB TYR A 72 -0.964 17.510 -11.855 1.00 0.00 C ATOM 912 CG TYR A 72 -2.164 17.276 -10.950 1.00 0.00 C ATOM 913 CD1 TYR A 72 -3.241 18.172 -10.982 1.00 0.00 C ATOM 914 CD2 TYR A 72 -2.217 16.145 -10.115 1.00 0.00 C ATOM 915 CE1 TYR A 72 -4.347 17.953 -10.173 1.00 0.00 C ATOM 916 CE2 TYR A 72 -3.327 15.936 -9.313 1.00 0.00 C ATOM 917 CZ TYR A 72 -4.386 16.840 -9.337 1.00 0.00 C ATOM 918 OH TYR A 72 -5.470 16.635 -8.534 1.00 0.00 O ATOM 0 H TYR A 72 0.681 17.094 -13.776 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.153 16.371 -13.289 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.114 16.915 -11.520 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.657 18.555 -11.816 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.210 19.032 -11.635 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.396 15.443 -10.099 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.176 18.645 -10.192 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.371 15.071 -8.668 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.177 17.271 -8.770 1.00 0.00 H new ATOM 928 N ASP A 73 -0.995 19.189 -14.529 1.00 0.00 N ATOM 929 CA ASP A 73 -1.384 20.401 -15.270 1.00 0.00 C ATOM 930 C ASP A 73 -2.486 20.035 -16.270 1.00 0.00 C ATOM 931 O ASP A 73 -2.256 19.251 -17.187 1.00 0.00 O ATOM 932 CB ASP A 73 -0.171 20.973 -16.014 1.00 0.00 C ATOM 933 CG ASP A 73 0.941 21.331 -15.030 1.00 0.00 C ATOM 934 OD1 ASP A 73 1.185 20.539 -14.135 1.00 0.00 O ATOM 935 OD2 ASP A 73 1.531 22.387 -15.186 1.00 0.00 O ATOM 0 H ASP A 73 0.012 19.076 -14.409 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.752 21.156 -14.575 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.196 20.245 -16.737 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.466 21.859 -16.576 1.00 0.00 H new ATOM 940 N VAL A 74 -3.674 20.574 -16.050 1.00 0.00 N ATOM 941 CA VAL A 74 -4.837 20.276 -16.890 1.00 0.00 C ATOM 942 C VAL A 74 -4.844 21.166 -18.118 1.00 0.00 C ATOM 943 O VAL A 74 -4.942 20.670 -19.244 1.00 0.00 O ATOM 944 CB VAL A 74 -6.165 20.465 -16.049 1.00 0.00 C ATOM 945 CG1 VAL A 74 -6.563 19.124 -15.358 1.00 0.00 C ATOM 946 CG2 VAL A 74 -5.972 21.579 -14.954 1.00 0.00 C ATOM 0 H VAL A 74 -3.865 21.227 -15.290 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.780 19.240 -17.226 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.959 20.770 -16.731 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.478 19.268 -14.783 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.728 18.359 -16.117 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.762 18.807 -14.691 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.895 21.695 -14.386 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.165 21.291 -14.280 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.722 22.524 -15.436 1.00 0.00 H new ATOM 956 N ASP A 75 -4.773 22.486 -17.907 1.00 0.00 N ATOM 957 CA ASP A 75 -4.796 23.469 -19.004 1.00 0.00 C ATOM 958 C ASP A 75 -3.470 24.220 -19.076 1.00 0.00 C ATOM 959 O ASP A 75 -3.337 25.170 -19.843 1.00 0.00 O ATOM 960 CB ASP A 75 -5.961 24.455 -18.753 1.00 0.00 C ATOM 961 CG ASP A 75 -7.295 23.701 -18.715 1.00 0.00 C ATOM 962 OD1 ASP A 75 -7.483 22.832 -19.553 1.00 0.00 O ATOM 963 OD2 ASP A 75 -8.107 24.000 -17.852 1.00 0.00 O ATOM 0 H ASP A 75 -4.698 22.903 -16.979 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.942 22.957 -19.955 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.805 24.981 -17.811 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.984 25.210 -19.539 1.00 0.00 H new ATOM 968 N GLY A 76 -2.498 23.787 -18.267 1.00 0.00 N ATOM 969 CA GLY A 76 -1.181 24.439 -18.248 1.00 0.00 C ATOM 970 C GLY A 76 -1.280 25.821 -17.638 1.00 0.00 C ATOM 971 O GLY A 76 -0.404 26.655 -17.850 1.00 0.00 O ATOM 0 H GLY A 76 -2.593 23.000 -17.625 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.477 23.833 -17.677 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.790 24.511 -19.263 1.00 0.00 H new ATOM 975 N ASP A 77 -2.366 26.068 -16.892 1.00 0.00 N ATOM 976 CA ASP A 77 -2.580 27.369 -16.253 1.00 0.00 C ATOM 977 C ASP A 77 -1.685 27.507 -15.051 1.00 0.00 C ATOM 978 O ASP A 77 -1.531 28.613 -14.557 1.00 0.00 O ATOM 979 CB ASP A 77 -4.050 27.508 -15.796 1.00 0.00 C ATOM 980 CG ASP A 77 -4.995 27.474 -16.995 1.00 0.00 C ATOM 981 OD1 ASP A 77 -4.539 27.683 -18.112 1.00 0.00 O ATOM 982 OD2 ASP A 77 -6.169 27.236 -16.778 1.00 0.00 O ATOM 0 H ASP A 77 -3.105 25.386 -16.718 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.348 28.148 -16.979 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.300 26.701 -15.107 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.180 28.443 -15.251 1.00 0.00 H new ATOM 987 N ARG A 78 -1.052 26.406 -14.614 1.00 0.00 N ATOM 988 CA ARG A 78 -0.128 26.429 -13.479 1.00 0.00 C ATOM 989 C ARG A 78 -0.824 26.804 -12.191 1.00 0.00 C ATOM 990 O ARG A 78 -0.183 27.297 -11.259 1.00 0.00 O ATOM 991 CB ARG A 78 1.052 27.389 -13.755 1.00 0.00 C ATOM 992 CG ARG A 78 1.715 27.017 -15.104 1.00 0.00 C ATOM 993 CD ARG A 78 2.893 27.954 -15.385 1.00 0.00 C ATOM 994 NE ARG A 78 3.920 27.751 -14.359 1.00 0.00 N ATOM 995 CZ ARG A 78 5.049 28.462 -14.345 1.00 0.00 C ATOM 996 NH1 ARG A 78 5.251 29.371 -15.263 1.00 0.00 N ATOM 997 NH2 ARG A 78 5.941 28.254 -13.422 1.00 0.00 N ATOM 0 H ARG A 78 -1.168 25.485 -15.036 1.00 0.00 H new ATOM 0 HA ARG A 78 0.261 25.418 -13.359 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.698 28.419 -13.784 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.783 27.326 -12.949 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.060 25.984 -15.076 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.984 27.087 -15.909 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.305 27.755 -16.374 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.558 28.991 -15.382 1.00 0.00 H new ATOM 0 HE ARG A 78 3.768 27.047 -13.636 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.548 29.533 -15.984 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.112 29.918 -15.258 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.779 27.546 -12.706 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.803 28.799 -13.414 1.00 0.00 H new ATOM 1011 N VAL A 79 -2.138 26.572 -12.137 1.00 0.00 N ATOM 1012 CA VAL A 79 -2.935 26.887 -10.942 1.00 0.00 C ATOM 1013 C VAL A 79 -4.044 25.846 -10.767 1.00 0.00 C ATOM 1014 O VAL A 79 -4.890 25.670 -11.640 1.00 0.00 O ATOM 1015 CB VAL A 79 -3.562 28.306 -11.061 1.00 0.00 C ATOM 1016 CG1 VAL A 79 -4.335 28.679 -9.764 1.00 0.00 C ATOM 1017 CG2 VAL A 79 -2.453 29.365 -11.339 1.00 0.00 C ATOM 0 H VAL A 79 -2.675 26.168 -12.904 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.278 26.867 -10.072 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.265 28.298 -11.894 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.765 29.675 -9.870 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.133 27.956 -9.595 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.650 28.668 -8.916 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.906 30.353 -11.420 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.733 29.362 -10.520 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.943 29.122 -12.271 1.00 0.00 H new ATOM 1027 N LEU A 80 -3.998 25.158 -9.633 1.00 0.00 N ATOM 1028 CA LEU A 80 -4.968 24.105 -9.287 1.00 0.00 C ATOM 1029 C LEU A 80 -5.298 24.191 -7.800 1.00 0.00 C ATOM 1030 O LEU A 80 -4.429 24.016 -6.952 1.00 0.00 O ATOM 1031 CB LEU A 80 -4.388 22.704 -9.668 1.00 0.00 C ATOM 1032 CG LEU A 80 -2.816 22.739 -9.755 1.00 0.00 C ATOM 1033 CD1 LEU A 80 -2.187 22.985 -8.351 1.00 0.00 C ATOM 1034 CD2 LEU A 80 -2.308 21.418 -10.352 1.00 0.00 C ATOM 0 H LEU A 80 -3.286 25.309 -8.918 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.891 24.247 -9.850 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.697 21.967 -8.927 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.800 22.386 -10.626 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.516 23.564 -10.401 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.101 23.005 -8.437 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.537 23.939 -7.958 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.482 22.183 -7.674 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.220 21.441 -10.413 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.619 20.588 -9.717 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.725 21.286 -11.351 1.00 0.00 H new ATOM 1046 N ASP A 81 -6.557 24.468 -7.490 1.00 0.00 N ATOM 1047 CA ASP A 81 -7.015 24.595 -6.101 1.00 0.00 C ATOM 1048 C ASP A 81 -7.757 23.353 -5.708 1.00 0.00 C ATOM 1049 O ASP A 81 -7.755 22.400 -6.455 1.00 0.00 O ATOM 1050 CB ASP A 81 -7.938 25.822 -5.994 1.00 0.00 C ATOM 1051 CG ASP A 81 -7.221 27.051 -6.548 1.00 0.00 C ATOM 1052 OD1 ASP A 81 -7.115 27.147 -7.761 1.00 0.00 O ATOM 1053 OD2 ASP A 81 -6.786 27.874 -5.759 1.00 0.00 O ATOM 0 H ASP A 81 -7.290 24.611 -8.184 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.164 24.723 -5.433 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.860 25.646 -6.548 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.218 25.990 -4.954 1.00 0.00 H new ATOM 1058 N ALA A 82 -8.408 23.401 -4.537 1.00 0.00 N ATOM 1059 CA ALA A 82 -9.203 22.263 -4.005 1.00 0.00 C ATOM 1060 C ALA A 82 -9.959 21.556 -5.131 1.00 0.00 C ATOM 1061 O ALA A 82 -9.919 20.345 -5.239 1.00 0.00 O ATOM 1062 CB ALA A 82 -10.188 22.767 -2.940 1.00 0.00 C ATOM 0 H ALA A 82 -8.405 24.220 -3.929 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.520 21.546 -3.550 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.767 21.928 -2.554 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.635 23.232 -2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.862 23.499 -3.385 1.00 0.00 H new ATOM 1068 N GLU A 83 -10.651 22.349 -5.944 1.00 0.00 N ATOM 1069 CA GLU A 83 -11.444 21.812 -7.066 1.00 0.00 C ATOM 1070 C GLU A 83 -10.634 20.738 -7.809 1.00 0.00 C ATOM 1071 O GLU A 83 -11.056 19.588 -7.908 1.00 0.00 O ATOM 1072 CB GLU A 83 -11.785 22.963 -8.042 1.00 0.00 C ATOM 1073 CG GLU A 83 -12.727 23.989 -7.365 1.00 0.00 C ATOM 1074 CD GLU A 83 -13.032 25.144 -8.322 1.00 0.00 C ATOM 1075 OE1 GLU A 83 -12.105 25.607 -8.967 1.00 0.00 O ATOM 1076 OE2 GLU A 83 -14.182 25.542 -8.402 1.00 0.00 O ATOM 0 H GLU A 83 -10.684 23.365 -5.854 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.362 21.367 -6.681 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.869 23.459 -8.363 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.260 22.560 -8.937 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.655 23.500 -7.068 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.264 24.374 -6.456 1.00 0.00 H new ATOM 1083 N GLU A 84 -9.456 21.126 -8.288 1.00 0.00 N ATOM 1084 CA GLU A 84 -8.558 20.192 -8.987 1.00 0.00 C ATOM 1085 C GLU A 84 -7.660 19.419 -8.022 1.00 0.00 C ATOM 1086 O GLU A 84 -7.317 18.269 -8.267 1.00 0.00 O ATOM 1087 CB GLU A 84 -7.673 20.998 -9.971 1.00 0.00 C ATOM 1088 CG GLU A 84 -8.547 21.736 -11.016 1.00 0.00 C ATOM 1089 CD GLU A 84 -9.301 20.730 -11.899 1.00 0.00 C ATOM 1090 OE1 GLU A 84 -8.646 19.850 -12.432 1.00 0.00 O ATOM 1091 OE2 GLU A 84 -10.514 20.832 -11.996 1.00 0.00 O ATOM 0 H GLU A 84 -9.095 22.077 -8.209 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.174 19.464 -9.516 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.071 21.719 -9.419 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.980 20.327 -10.478 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.259 22.387 -10.508 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.919 22.374 -11.638 1.00 0.00 H new ATOM 1098 N GLN A 85 -7.282 20.073 -6.933 1.00 0.00 N ATOM 1099 CA GLN A 85 -6.385 19.481 -5.944 1.00 0.00 C ATOM 1100 C GLN A 85 -7.014 18.261 -5.303 1.00 0.00 C ATOM 1101 O GLN A 85 -6.325 17.295 -4.997 1.00 0.00 O ATOM 1102 CB GLN A 85 -6.016 20.509 -4.855 1.00 0.00 C ATOM 1103 CG GLN A 85 -4.862 19.983 -3.957 1.00 0.00 C ATOM 1104 CD GLN A 85 -4.561 20.967 -2.831 1.00 0.00 C ATOM 1105 OE1 GLN A 85 -4.192 20.555 -1.732 1.00 0.00 O ATOM 1106 NE2 GLN A 85 -4.704 22.247 -3.042 1.00 0.00 N ATOM 0 H GLN A 85 -7.584 21.021 -6.709 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.477 19.175 -6.463 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.718 21.448 -5.322 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.891 20.722 -4.241 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.134 19.015 -3.537 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.967 19.829 -4.560 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.010 22.582 -3.955 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -4.509 22.912 -2.294 1.00 0.00 H new ATOM 1115 N MET A 86 -8.324 18.322 -5.076 1.00 0.00 N ATOM 1116 CA MET A 86 -9.039 17.218 -4.435 1.00 0.00 C ATOM 1117 C MET A 86 -8.702 15.898 -5.123 1.00 0.00 C ATOM 1118 O MET A 86 -8.454 14.890 -4.461 1.00 0.00 O ATOM 1119 CB MET A 86 -10.568 17.468 -4.490 1.00 0.00 C ATOM 1120 CG MET A 86 -11.332 16.360 -3.727 1.00 0.00 C ATOM 1121 SD MET A 86 -13.097 16.718 -3.732 1.00 0.00 S ATOM 1122 CE MET A 86 -13.584 15.268 -2.770 1.00 0.00 C ATOM 0 H MET A 86 -8.910 19.119 -5.324 1.00 0.00 H new ATOM 0 HA MET A 86 -8.727 17.161 -3.392 1.00 0.00 H new ATOM 0 HB2 MET A 86 -10.798 18.441 -4.055 1.00 0.00 H new ATOM 0 HB3 MET A 86 -10.900 17.496 -5.528 1.00 0.00 H new ATOM 0 HG2 MET A 86 -11.147 15.392 -4.193 1.00 0.00 H new ATOM 0 HG3 MET A 86 -10.968 16.295 -2.702 1.00 0.00 H new ATOM 0 HE1 MET A 86 -14.666 15.267 -2.636 1.00 0.00 H new ATOM 0 HE2 MET A 86 -13.283 14.363 -3.298 1.00 0.00 H new ATOM 0 HE3 MET A 86 -13.098 15.298 -1.795 1.00 0.00 H new ATOM 1132 N LYS A 87 -8.708 15.916 -6.458 1.00 0.00 N ATOM 1133 CA LYS A 87 -8.421 14.712 -7.237 1.00 0.00 C ATOM 1134 C LYS A 87 -7.084 14.123 -6.835 1.00 0.00 C ATOM 1135 O LYS A 87 -6.883 12.906 -6.901 1.00 0.00 O ATOM 1136 CB LYS A 87 -8.405 15.066 -8.738 1.00 0.00 C ATOM 1137 CG LYS A 87 -9.809 15.513 -9.203 1.00 0.00 C ATOM 1138 CD LYS A 87 -9.777 15.899 -10.705 1.00 0.00 C ATOM 1139 CE LYS A 87 -11.181 16.327 -11.165 1.00 0.00 C ATOM 1140 NZ LYS A 87 -12.116 15.183 -10.968 1.00 0.00 N ATOM 0 H LYS A 87 -8.907 16.745 -7.018 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.197 13.972 -7.042 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.684 15.862 -8.922 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.081 14.202 -9.318 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.527 14.709 -9.042 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.144 16.363 -8.608 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.069 16.712 -10.866 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.432 15.053 -11.300 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.518 17.193 -10.595 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.161 16.623 -12.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.942 15.299 -11.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.630 14.293 -11.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.429 15.157 -9.976 1.00 0.00 H new ATOM 1154 N MET A 88 -6.165 14.997 -6.411 1.00 0.00 N ATOM 1155 CA MET A 88 -4.844 14.546 -6.000 1.00 0.00 C ATOM 1156 C MET A 88 -4.933 13.747 -4.708 1.00 0.00 C ATOM 1157 O MET A 88 -4.486 12.608 -4.643 1.00 0.00 O ATOM 1158 CB MET A 88 -3.900 15.759 -5.778 1.00 0.00 C ATOM 1159 CG MET A 88 -2.439 15.288 -5.647 1.00 0.00 C ATOM 1160 SD MET A 88 -1.358 16.726 -5.492 1.00 0.00 S ATOM 1161 CE MET A 88 0.196 15.849 -5.761 1.00 0.00 C ATOM 0 H MET A 88 -6.314 16.004 -6.346 1.00 0.00 H new ATOM 0 HA MET A 88 -4.444 13.914 -6.793 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.991 16.455 -6.612 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.197 16.298 -4.878 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.330 14.642 -4.776 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.156 14.698 -6.519 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.740 16.316 -6.582 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.800 15.892 -4.854 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.012 14.808 -6.010 1.00 0.00 H new ATOM 1171 N ALA A 89 -5.536 14.351 -3.676 1.00 0.00 N ATOM 1172 CA ALA A 89 -5.679 13.683 -2.375 1.00 0.00 C ATOM 1173 C ALA A 89 -6.312 12.303 -2.536 1.00 0.00 C ATOM 1174 O ALA A 89 -5.986 11.373 -1.809 1.00 0.00 O ATOM 1175 CB ALA A 89 -6.546 14.545 -1.434 1.00 0.00 C ATOM 0 H ALA A 89 -5.929 15.291 -3.715 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.685 13.559 -1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.648 14.043 -0.472 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.071 15.515 -1.289 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.533 14.686 -1.876 1.00 0.00 H new ATOM 1181 N HIS A 90 -7.218 12.183 -3.509 1.00 0.00 N ATOM 1182 CA HIS A 90 -7.897 10.912 -3.764 1.00 0.00 C ATOM 1183 C HIS A 90 -6.897 9.846 -4.220 1.00 0.00 C ATOM 1184 O HIS A 90 -6.900 8.722 -3.715 1.00 0.00 O ATOM 1185 CB HIS A 90 -8.987 11.107 -4.847 1.00 0.00 C ATOM 1186 CG HIS A 90 -9.759 9.826 -5.043 1.00 0.00 C ATOM 1187 ND1 HIS A 90 -9.260 8.776 -5.799 1.00 0.00 N ATOM 1188 CD2 HIS A 90 -10.964 9.401 -4.556 1.00 0.00 C ATOM 1189 CE1 HIS A 90 -10.159 7.778 -5.743 1.00 0.00 C ATOM 1190 NE2 HIS A 90 -11.217 8.107 -4.998 1.00 0.00 N ATOM 0 H HIS A 90 -7.496 12.944 -4.128 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.363 10.576 -2.837 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.665 11.908 -4.551 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -8.526 11.410 -5.787 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -11.620 9.982 -3.924 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -10.040 6.827 -6.240 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -12.035 7.532 -4.796 1.00 0.00 H new ATOM 1198 N ASP A 91 -6.065 10.201 -5.209 1.00 0.00 N ATOM 1199 CA ASP A 91 -5.085 9.259 -5.752 1.00 0.00 C ATOM 1200 C ASP A 91 -4.010 8.942 -4.726 1.00 0.00 C ATOM 1201 O ASP A 91 -3.581 7.801 -4.596 1.00 0.00 O ATOM 1202 CB ASP A 91 -4.444 9.849 -7.030 1.00 0.00 C ATOM 1203 CG ASP A 91 -3.494 8.827 -7.674 1.00 0.00 C ATOM 1204 OD1 ASP A 91 -3.992 7.891 -8.274 1.00 0.00 O ATOM 1205 OD2 ASP A 91 -2.291 8.981 -7.529 1.00 0.00 O ATOM 0 H ASP A 91 -6.053 11.124 -5.643 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.599 8.331 -6.002 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.223 10.128 -7.739 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.897 10.759 -6.783 1.00 0.00 H new ATOM 1210 N LEU A 92 -3.572 9.971 -4.009 1.00 0.00 N ATOM 1211 CA LEU A 92 -2.512 9.814 -3.004 1.00 0.00 C ATOM 1212 C LEU A 92 -2.910 8.841 -1.926 1.00 0.00 C ATOM 1213 O LEU A 92 -2.098 8.023 -1.485 1.00 0.00 O ATOM 1214 CB LEU A 92 -2.135 11.211 -2.394 1.00 0.00 C ATOM 1215 CG LEU A 92 -0.929 11.867 -3.157 1.00 0.00 C ATOM 1216 CD1 LEU A 92 0.392 11.106 -2.819 1.00 0.00 C ATOM 1217 CD2 LEU A 92 -1.175 11.884 -4.710 1.00 0.00 C ATOM 0 H LEU A 92 -3.929 10.922 -4.100 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.633 9.401 -3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.999 11.874 -2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.879 11.092 -1.341 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.838 12.902 -2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.224 11.567 -3.352 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.576 11.156 -1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.299 10.063 -3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.322 12.344 -5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.298 10.863 -5.070 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.076 12.457 -4.929 1.00 0.00 H new ATOM 1229 N GLU A 93 -4.151 8.926 -1.508 1.00 0.00 N ATOM 1230 CA GLU A 93 -4.655 8.034 -0.474 1.00 0.00 C ATOM 1231 C GLU A 93 -4.759 6.616 -1.013 1.00 0.00 C ATOM 1232 O GLU A 93 -4.393 5.654 -0.327 1.00 0.00 O ATOM 1233 CB GLU A 93 -6.037 8.555 -0.011 1.00 0.00 C ATOM 1234 CG GLU A 93 -5.875 9.847 0.850 1.00 0.00 C ATOM 1235 CD GLU A 93 -5.274 9.495 2.219 1.00 0.00 C ATOM 1236 OE1 GLU A 93 -5.846 8.644 2.881 1.00 0.00 O ATOM 1237 OE2 GLU A 93 -4.246 10.055 2.569 1.00 0.00 O ATOM 0 H GLU A 93 -4.832 9.598 -1.862 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.973 8.015 0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.662 8.765 -0.879 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.546 7.786 0.570 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.232 10.559 0.334 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.843 10.330 0.982 1.00 0.00 H new ATOM 1244 N GLY A 94 -5.264 6.482 -2.243 1.00 0.00 N ATOM 1245 CA GLY A 94 -5.418 5.169 -2.861 1.00 0.00 C ATOM 1246 C GLY A 94 -4.072 4.527 -3.110 1.00 0.00 C ATOM 1247 O GLY A 94 -3.910 3.315 -2.960 1.00 0.00 O ATOM 0 H GLY A 94 -5.570 7.263 -2.824 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.017 4.527 -2.215 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.958 5.267 -3.803 1.00 0.00 H new ATOM 1251 N GLN A 95 -3.098 5.356 -3.500 1.00 0.00 N ATOM 1252 CA GLN A 95 -1.747 4.867 -3.785 1.00 0.00 C ATOM 1253 C GLN A 95 -1.110 4.302 -2.526 1.00 0.00 C ATOM 1254 O GLN A 95 -0.454 3.260 -2.557 1.00 0.00 O ATOM 1255 CB GLN A 95 -0.854 6.011 -4.349 1.00 0.00 C ATOM 1256 CG GLN A 95 0.384 5.416 -5.104 1.00 0.00 C ATOM 1257 CD GLN A 95 -0.052 4.883 -6.471 1.00 0.00 C ATOM 1258 OE1 GLN A 95 -0.052 3.674 -6.705 1.00 0.00 O ATOM 1259 NE2 GLN A 95 -0.455 5.733 -7.373 1.00 0.00 N ATOM 0 H GLN A 95 -3.219 6.361 -3.625 1.00 0.00 H new ATOM 0 HA GLN A 95 -1.827 4.078 -4.533 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.436 6.635 -5.027 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.517 6.653 -3.535 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.149 6.183 -5.229 1.00 0.00 H new ATOM 0 HG3 GLN A 95 0.830 4.614 -4.516 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.451 6.733 -7.170 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.774 5.399 -8.282 1.00 0.00 H new ATOM 1268 N LYS A 96 -1.300 5.014 -1.410 1.00 0.00 N ATOM 1269 CA LYS A 96 -0.731 4.593 -0.137 1.00 0.00 C ATOM 1270 C LYS A 96 -1.257 3.208 0.240 1.00 0.00 C ATOM 1271 O LYS A 96 -0.506 2.352 0.702 1.00 0.00 O ATOM 1272 CB LYS A 96 -1.104 5.611 0.961 1.00 0.00 C ATOM 1273 CG LYS A 96 -0.359 5.277 2.283 1.00 0.00 C ATOM 1274 CD LYS A 96 -0.713 6.302 3.382 1.00 0.00 C ATOM 1275 CE LYS A 96 0.028 5.940 4.687 1.00 0.00 C ATOM 1276 NZ LYS A 96 1.495 5.938 4.422 1.00 0.00 N ATOM 0 H LYS A 96 -1.841 5.878 -1.368 1.00 0.00 H new ATOM 0 HA LYS A 96 0.354 4.545 -0.231 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.846 6.619 0.635 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.181 5.596 1.129 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.627 4.274 2.614 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.717 5.278 2.110 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.435 7.306 3.060 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.789 6.309 3.553 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.213 6.659 5.470 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.292 4.961 5.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.010 6.069 5.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.769 5.031 3.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.731 6.713 3.770 1.00 0.00 H new ATOM 1290 N SER A 97 -2.563 3.008 0.050 1.00 0.00 N ATOM 1291 CA SER A 97 -3.191 1.723 0.375 1.00 0.00 C ATOM 1292 C SER A 97 -2.591 0.604 -0.475 1.00 0.00 C ATOM 1293 O SER A 97 -2.239 -0.469 0.033 1.00 0.00 O ATOM 1294 CB SER A 97 -4.701 1.807 0.115 1.00 0.00 C ATOM 1295 OG SER A 97 -5.285 0.544 0.397 1.00 0.00 O ATOM 0 H SER A 97 -3.202 3.710 -0.323 1.00 0.00 H new ATOM 0 HA SER A 97 -3.010 1.503 1.427 1.00 0.00 H new ATOM 0 HB2 SER A 97 -5.149 2.578 0.741 1.00 0.00 H new ATOM 0 HB3 SER A 97 -4.890 2.088 -0.921 1.00 0.00 H new ATOM 0 HG SER A 97 -6.251 0.587 0.236 1.00 0.00 H new ATOM 1301 N ASP A 98 -2.450 0.874 -1.781 1.00 0.00 N ATOM 1302 CA ASP A 98 -1.881 -0.104 -2.716 1.00 0.00 C ATOM 1303 C ASP A 98 -0.458 -0.430 -2.314 1.00 0.00 C ATOM 1304 O ASP A 98 -0.038 -1.590 -2.357 1.00 0.00 O ATOM 1305 CB ASP A 98 -1.897 0.467 -4.152 1.00 0.00 C ATOM 1306 CG ASP A 98 -3.339 0.731 -4.586 1.00 0.00 C ATOM 1307 OD1 ASP A 98 -4.169 -0.132 -4.350 1.00 0.00 O ATOM 1308 OD2 ASP A 98 -3.593 1.787 -5.144 1.00 0.00 O ATOM 0 H ASP A 98 -2.721 1.758 -2.211 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.481 -1.013 -2.686 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -1.320 1.391 -4.193 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -1.423 -0.235 -4.838 1.00 0.00 H new ATOM 1313 N LEU A 99 0.293 0.607 -1.929 1.00 0.00 N ATOM 1314 CA LEU A 99 1.678 0.415 -1.534 1.00 0.00 C ATOM 1315 C LEU A 99 1.767 -0.576 -0.376 1.00 0.00 C ATOM 1316 O LEU A 99 2.537 -1.525 -0.437 1.00 0.00 O ATOM 1317 CB LEU A 99 2.305 1.765 -1.101 1.00 0.00 C ATOM 1318 CG LEU A 99 3.788 1.577 -0.600 1.00 0.00 C ATOM 1319 CD1 LEU A 99 4.720 1.134 -1.765 1.00 0.00 C ATOM 1320 CD2 LEU A 99 4.304 2.885 0.038 1.00 0.00 C ATOM 0 H LEU A 99 -0.035 1.572 -1.885 1.00 0.00 H new ATOM 0 HA LEU A 99 2.226 0.020 -2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.288 2.461 -1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.705 2.208 -0.307 1.00 0.00 H new ATOM 0 HG LEU A 99 3.797 0.790 0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.737 1.012 -1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.367 0.187 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.710 1.893 -2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.329 2.743 0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.276 3.686 -0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.672 3.150 0.885 1.00 0.00 H new ATOM 1332 N ASN A 100 0.985 -0.319 0.681 1.00 0.00 N ATOM 1333 CA ASN A 100 1.000 -1.166 1.878 1.00 0.00 C ATOM 1334 C ASN A 100 0.909 -2.640 1.494 1.00 0.00 C ATOM 1335 O ASN A 100 1.594 -3.485 2.059 1.00 0.00 O ATOM 1336 CB ASN A 100 -0.188 -0.790 2.790 1.00 0.00 C ATOM 1337 CG ASN A 100 -0.114 0.687 3.176 1.00 0.00 C ATOM 1338 OD1 ASN A 100 0.974 1.214 3.412 1.00 0.00 O ATOM 1339 ND2 ASN A 100 -1.211 1.384 3.258 1.00 0.00 N ATOM 0 H ASN A 100 0.336 0.467 0.730 1.00 0.00 H new ATOM 0 HA ASN A 100 1.937 -1.004 2.411 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -1.128 -0.992 2.276 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -0.176 -1.408 3.687 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -1.171 2.369 3.518 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -2.110 0.945 3.062 1.00 0.00 H new ATOM 1346 N ASN A 101 0.063 -2.922 0.504 1.00 0.00 N ATOM 1347 CA ASN A 101 -0.113 -4.290 0.009 1.00 0.00 C ATOM 1348 C ASN A 101 1.003 -4.675 -0.944 1.00 0.00 C ATOM 1349 O ASN A 101 1.388 -5.843 -1.016 1.00 0.00 O ATOM 1350 CB ASN A 101 -1.470 -4.409 -0.709 1.00 0.00 C ATOM 1351 CG ASN A 101 -2.591 -4.037 0.256 1.00 0.00 C ATOM 1352 OD1 ASN A 101 -2.531 -4.385 1.436 1.00 0.00 O ATOM 1353 ND2 ASN A 101 -3.607 -3.347 -0.174 1.00 0.00 N ATOM 0 H ASN A 101 -0.510 -2.225 0.029 1.00 0.00 H new ATOM 0 HA ASN A 101 -0.084 -4.969 0.861 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.492 -3.753 -1.579 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -1.612 -5.426 -1.074 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -4.358 -3.092 0.467 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -3.652 -3.061 -1.152 1.00 0.00 H new ATOM 1360 N GLN A 102 1.486 -3.701 -1.717 1.00 0.00 N ATOM 1361 CA GLN A 102 2.517 -3.976 -2.720 1.00 0.00 C ATOM 1362 C GLN A 102 3.747 -4.650 -2.115 1.00 0.00 C ATOM 1363 O GLN A 102 4.203 -5.683 -2.599 1.00 0.00 O ATOM 1364 CB GLN A 102 2.941 -2.650 -3.420 1.00 0.00 C ATOM 1365 CG GLN A 102 3.793 -2.922 -4.706 1.00 0.00 C ATOM 1366 CD GLN A 102 5.187 -3.437 -4.333 1.00 0.00 C ATOM 1367 OE1 GLN A 102 5.490 -4.615 -4.524 1.00 0.00 O ATOM 1368 NE2 GLN A 102 6.033 -2.625 -3.766 1.00 0.00 N ATOM 0 H GLN A 102 1.185 -2.727 -1.670 1.00 0.00 H new ATOM 0 HA GLN A 102 2.087 -4.664 -3.448 1.00 0.00 H new ATOM 0 HB2 GLN A 102 2.052 -2.078 -3.686 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.516 -2.039 -2.725 1.00 0.00 H new ATOM 0 HG2 GLN A 102 3.286 -3.653 -5.336 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.882 -2.006 -5.290 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.778 -1.650 -3.610 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.951 -2.964 -3.478 1.00 0.00 H new ATOM 1377 N LEU A 103 4.281 -4.029 -1.076 1.00 0.00 N ATOM 1378 CA LEU A 103 5.493 -4.508 -0.390 1.00 0.00 C ATOM 1379 C LEU A 103 5.111 -5.263 0.861 1.00 0.00 C ATOM 1380 O LEU A 103 5.991 -5.750 1.561 1.00 0.00 O ATOM 1381 CB LEU A 103 6.433 -3.294 -0.051 1.00 0.00 C ATOM 1382 CG LEU A 103 5.608 -2.004 0.272 1.00 0.00 C ATOM 1383 CD1 LEU A 103 4.674 -2.230 1.502 1.00 0.00 C ATOM 1384 CD2 LEU A 103 6.570 -0.817 0.520 1.00 0.00 C ATOM 0 H LEU A 103 3.893 -3.175 -0.675 1.00 0.00 H new ATOM 0 HA LEU A 103 6.036 -5.187 -1.047 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.063 -3.547 0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.098 -3.101 -0.893 1.00 0.00 H new ATOM 0 HG LEU A 103 4.974 -1.771 -0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.112 -1.318 1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.981 -3.043 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.276 -2.487 2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.992 0.079 0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.223 -1.048 1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.174 -0.645 -0.371 1.00 0.00 H new ATOM 1396 N ALA A 104 3.801 -5.344 1.152 1.00 0.00 N ATOM 1397 CA ALA A 104 3.324 -6.053 2.337 1.00 0.00 C ATOM 1398 C ALA A 104 4.148 -5.666 3.573 1.00 0.00 C ATOM 1399 O ALA A 104 3.900 -4.633 4.193 1.00 0.00 O ATOM 1400 CB ALA A 104 3.396 -7.573 2.065 1.00 0.00 C ATOM 0 H ALA A 104 3.063 -4.928 0.583 1.00 0.00 H new ATOM 0 HA ALA A 104 2.291 -5.774 2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.043 -8.117 2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.769 -7.819 1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 104 4.427 -7.856 1.853 1.00 0.00 H new ATOM 1406 N GLU A 105 5.130 -6.516 3.918 1.00 0.00 N ATOM 1407 CA GLU A 105 5.994 -6.293 5.078 1.00 0.00 C ATOM 1408 C GLU A 105 7.419 -6.688 4.759 1.00 0.00 C ATOM 1409 O GLU A 105 8.330 -5.852 4.803 1.00 0.00 O ATOM 1410 CB GLU A 105 5.466 -7.138 6.269 1.00 0.00 C ATOM 1411 CG GLU A 105 4.030 -6.692 6.671 1.00 0.00 C ATOM 1412 CD GLU A 105 4.036 -5.228 7.136 1.00 0.00 C ATOM 1413 OE1 GLU A 105 4.895 -4.898 7.938 1.00 0.00 O ATOM 1414 OE2 GLU A 105 3.224 -4.457 6.651 1.00 0.00 O ATOM 0 H GLU A 105 5.342 -7.370 3.402 1.00 0.00 H new ATOM 0 HA GLU A 105 5.981 -5.235 5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.461 -8.194 5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.137 -7.031 7.122 1.00 0.00 H new ATOM 0 HG2 GLU A 105 3.355 -6.808 5.823 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.653 -7.332 7.469 1.00 0.00 H new ATOM 1421 N LEU A 106 7.631 -7.970 4.453 1.00 0.00 N ATOM 1422 CA LEU A 106 8.978 -8.470 4.145 1.00 0.00 C ATOM 1423 C LEU A 106 9.950 -8.097 5.266 1.00 0.00 C ATOM 1424 O LEU A 106 9.557 -7.533 6.288 1.00 0.00 O ATOM 1425 CB LEU A 106 9.465 -7.889 2.763 1.00 0.00 C ATOM 1426 CG LEU A 106 9.019 -8.801 1.576 1.00 0.00 C ATOM 1427 CD1 LEU A 106 7.466 -8.901 1.513 1.00 0.00 C ATOM 1428 CD2 LEU A 106 9.581 -8.236 0.246 1.00 0.00 C ATOM 0 H LEU A 106 6.897 -8.677 4.411 1.00 0.00 H new ATOM 0 HA LEU A 106 8.946 -9.557 4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.062 -6.886 2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.551 -7.798 2.767 1.00 0.00 H new ATOM 0 HG LEU A 106 9.415 -9.804 1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.176 -9.541 0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.091 -9.326 2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.043 -7.907 1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.269 -8.874 -0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.200 -7.227 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 106 10.670 -8.210 0.293 1.00 0.00 H new ATOM 1440 N GLU A 107 11.221 -8.412 5.052 1.00 0.00 N ATOM 1441 CA GLU A 107 12.259 -8.106 6.027 1.00 0.00 C ATOM 1442 C GLU A 107 12.465 -6.584 6.107 1.00 0.00 C ATOM 1443 O GLU A 107 11.998 -5.987 7.065 1.00 0.00 O ATOM 1444 CB GLU A 107 13.569 -8.803 5.607 1.00 0.00 C ATOM 1445 CG GLU A 107 13.366 -10.343 5.559 1.00 0.00 C ATOM 1446 CD GLU A 107 14.669 -11.047 5.162 1.00 0.00 C ATOM 1447 OE1 GLU A 107 15.445 -10.456 4.427 1.00 0.00 O ATOM 1448 OE2 GLU A 107 14.876 -12.162 5.611 1.00 0.00 O ATOM 1449 OXT GLU A 107 13.080 -6.045 5.202 1.00 0.00 O ATOM 0 H GLU A 107 11.558 -8.880 4.211 1.00 0.00 H new ATOM 0 HA GLU A 107 11.960 -8.468 7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 107 13.885 -8.440 4.629 1.00 0.00 H new ATOM 0 HB3 GLU A 107 14.363 -8.555 6.311 1.00 0.00 H new ATOM 0 HG2 GLU A 107 13.035 -10.702 6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 107 12.581 -10.590 4.844 1.00 0.00 H new TER 1456 GLU A 107