USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 822 hydrogens (10 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 50 ZNZN :(H bumps) USER MOD NoAdj-H: B 39 HIS HD1 : B 39 HIS ND1 : B 50 ZNZN :(H bumps) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 17 TYR OH : rot -167:sc= 0.915 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -69:sc= 0.222 USER MOD Single : A 25 HIS : no HD1:sc=-0.00633 X(o=-0.0063,f=0) USER MOD Single : A 26 ASN : amide:sc= -0.0049 X(o=-0.0049,f=-0.04) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 80:sc= 0.0817 USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= -0.0726 X(o=-0.073,f=0) USER MOD Single : B 17 TYR OH : rot -162:sc= 0.13 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot -76:sc= 0.0986 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 26 ASN :FLIP amide:sc= 0.635 F(o=0,f=0.64) USER MOD Single : B 31 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00784) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 45 THR OG1 : rot 89:sc= 1.21 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 1.948 13.488 -11.776 1.00 0.00 C HETATM 2 O ACE A 0 2.205 13.691 -12.961 1.00 0.00 O HETATM 3 CH3 ACE A 0 1.058 14.444 -11.019 1.00 0.00 C HETATM 0 H1 ACE A 0 0.182 13.911 -10.650 1.00 0.00 H new HETATM 0 H2 ACE A 0 1.608 14.864 -10.177 1.00 0.00 H new HETATM 0 H3 ACE A 0 0.740 15.248 -11.683 1.00 0.00 H new ATOM 7 N ASP A 1 2.414 12.443 -11.093 1.00 0.00 N ATOM 8 CA ASP A 1 3.293 11.407 -11.675 1.00 0.00 C ATOM 9 C ASP A 1 3.105 10.002 -11.070 1.00 0.00 C ATOM 10 O ASP A 1 3.421 9.003 -11.723 1.00 0.00 O ATOM 11 CB ASP A 1 4.767 11.853 -11.551 1.00 0.00 C ATOM 12 CG ASP A 1 5.618 11.593 -12.814 1.00 0.00 C ATOM 13 OD1 ASP A 1 5.463 10.552 -13.498 1.00 0.00 O ATOM 14 OD2 ASP A 1 6.483 12.448 -13.128 1.00 0.00 O ATOM 0 H ASP A 1 2.195 12.282 -10.110 1.00 0.00 H new ATOM 0 HA ASP A 1 3.006 11.313 -12.722 1.00 0.00 H new ATOM 0 HB2 ASP A 1 4.794 12.918 -11.322 1.00 0.00 H new ATOM 0 HB3 ASP A 1 5.222 11.334 -10.707 1.00 0.00 H new ATOM 19 N TYR A 2 2.547 9.889 -9.853 1.00 0.00 N ATOM 20 CA TYR A 2 2.372 8.585 -9.186 1.00 0.00 C ATOM 21 C TYR A 2 1.556 7.637 -10.017 1.00 0.00 C ATOM 22 O TYR A 2 1.900 6.475 -10.090 1.00 0.00 O ATOM 23 CB TYR A 2 1.618 8.642 -7.852 1.00 0.00 C ATOM 24 CG TYR A 2 2.004 9.797 -7.000 1.00 0.00 C ATOM 25 CD1 TYR A 2 3.319 9.884 -6.532 1.00 0.00 C ATOM 26 CD2 TYR A 2 1.066 10.807 -6.748 1.00 0.00 C ATOM 27 CE1 TYR A 2 3.716 11.025 -5.832 1.00 0.00 C ATOM 28 CE2 TYR A 2 1.459 11.950 -6.046 1.00 0.00 C ATOM 29 CZ TYR A 2 2.801 12.083 -5.607 1.00 0.00 C ATOM 30 OH TYR A 2 3.224 13.219 -4.989 1.00 0.00 O ATOM 0 H TYR A 2 2.209 10.684 -9.310 1.00 0.00 H new ATOM 0 HA TYR A 2 3.401 8.259 -9.034 1.00 0.00 H new ATOM 0 HB2 TYR A 2 0.547 8.690 -8.051 1.00 0.00 H new ATOM 0 HB3 TYR A 2 1.799 7.719 -7.302 1.00 0.00 H new ATOM 0 HD1 TYR A 2 4.018 9.080 -6.710 1.00 0.00 H new ATOM 0 HD2 TYR A 2 0.048 10.703 -7.093 1.00 0.00 H new ATOM 0 HE1 TYR A 2 4.727 11.102 -5.460 1.00 0.00 H new ATOM 0 HE2 TYR A 2 0.742 12.730 -5.838 1.00 0.00 H new ATOM 0 HH TYR A 2 2.476 13.847 -4.912 1.00 0.00 H new ATOM 40 N LEU A 3 0.469 8.122 -10.613 1.00 0.00 N ATOM 41 CA LEU A 3 -0.554 7.276 -11.213 1.00 0.00 C ATOM 42 C LEU A 3 0.108 6.368 -12.249 1.00 0.00 C ATOM 43 O LEU A 3 -0.012 5.153 -12.158 1.00 0.00 O ATOM 44 CB LEU A 3 -1.650 8.176 -11.817 1.00 0.00 C ATOM 45 CG LEU A 3 -2.474 8.972 -10.776 1.00 0.00 C ATOM 46 CD1 LEU A 3 -3.199 10.119 -11.477 1.00 0.00 C ATOM 47 CD2 LEU A 3 -3.509 8.074 -10.061 1.00 0.00 C ATOM 0 H LEU A 3 0.274 9.120 -10.692 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.032 6.634 -10.473 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.185 8.879 -12.508 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.329 7.556 -12.402 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.786 9.359 -10.024 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.781 10.682 -10.747 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.469 10.779 -11.946 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.866 9.716 -12.239 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.068 8.668 -9.338 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.197 7.655 -10.796 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.993 7.265 -9.544 1.00 0.00 H new ATOM 59 N ARG A 4 0.949 6.936 -13.120 1.00 0.00 N ATOM 60 CA ARG A 4 1.816 6.168 -14.027 1.00 0.00 C ATOM 61 C ARG A 4 2.778 5.227 -13.293 1.00 0.00 C ATOM 62 O ARG A 4 2.813 4.049 -13.624 1.00 0.00 O ATOM 63 CB ARG A 4 2.563 7.127 -14.963 1.00 0.00 C ATOM 64 CG ARG A 4 3.308 6.355 -16.065 1.00 0.00 C ATOM 65 CD ARG A 4 3.981 7.303 -17.064 1.00 0.00 C ATOM 66 NE ARG A 4 5.068 8.079 -16.435 1.00 0.00 N ATOM 67 CZ ARG A 4 6.327 7.713 -16.275 1.00 0.00 C ATOM 68 NH1 ARG A 4 6.781 6.562 -16.691 1.00 0.00 N ATOM 69 NH2 ARG A 4 7.161 8.512 -15.676 1.00 0.00 N ATOM 0 H ARG A 4 1.050 7.946 -13.218 1.00 0.00 H new ATOM 0 HA ARG A 4 1.174 5.516 -14.620 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.856 7.823 -15.416 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.272 7.722 -14.388 1.00 0.00 H new ATOM 0 HG2 ARG A 4 4.060 5.709 -15.612 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.608 5.707 -16.593 1.00 0.00 H new ATOM 0 HD2 ARG A 4 4.381 6.727 -17.899 1.00 0.00 H new ATOM 0 HD3 ARG A 4 3.237 7.986 -17.475 1.00 0.00 H new ATOM 0 HE ARG A 4 4.818 9.003 -16.084 1.00 0.00 H new ATOM 0 HH11 ARG A 4 6.156 5.906 -17.160 1.00 0.00 H new ATOM 0 HH12 ARG A 4 7.761 6.318 -16.547 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.842 9.418 -15.332 1.00 0.00 H new ATOM 0 HH22 ARG A 4 8.134 8.233 -15.551 1.00 0.00 H new ATOM 83 N GLU A 5 3.524 5.698 -12.294 1.00 0.00 N ATOM 84 CA GLU A 5 4.472 4.860 -11.518 1.00 0.00 C ATOM 85 C GLU A 5 3.795 3.655 -10.815 1.00 0.00 C ATOM 86 O GLU A 5 4.386 2.586 -10.647 1.00 0.00 O ATOM 87 CB GLU A 5 5.217 5.764 -10.516 1.00 0.00 C ATOM 88 CG GLU A 5 6.160 5.017 -9.564 1.00 0.00 C ATOM 89 CD GLU A 5 7.089 5.993 -8.812 1.00 0.00 C ATOM 90 OE1 GLU A 5 6.609 6.735 -7.921 1.00 0.00 O ATOM 91 OE2 GLU A 5 8.311 6.016 -9.100 1.00 0.00 O ATOM 0 H GLU A 5 3.497 6.671 -11.990 1.00 0.00 H new ATOM 0 HA GLU A 5 5.181 4.412 -12.214 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.794 6.503 -11.072 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.483 6.311 -9.925 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.575 4.443 -8.846 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.760 4.304 -10.129 1.00 0.00 H new ATOM 98 N LEU A 6 2.533 3.841 -10.438 1.00 0.00 N ATOM 99 CA LEU A 6 1.674 2.995 -9.616 1.00 0.00 C ATOM 100 C LEU A 6 0.932 1.957 -10.491 1.00 0.00 C ATOM 101 O LEU A 6 0.937 0.762 -10.187 1.00 0.00 O ATOM 102 CB LEU A 6 0.780 4.028 -8.886 1.00 0.00 C ATOM 103 CG LEU A 6 -0.041 3.589 -7.677 1.00 0.00 C ATOM 104 CD1 LEU A 6 -0.225 4.783 -6.714 1.00 0.00 C ATOM 105 CD2 LEU A 6 -1.409 3.087 -8.115 1.00 0.00 C ATOM 0 H LEU A 6 2.034 4.680 -10.734 1.00 0.00 H new ATOM 0 HA LEU A 6 2.189 2.362 -8.893 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.423 4.847 -8.564 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.087 4.437 -9.621 1.00 0.00 H new ATOM 0 HG LEU A 6 0.490 2.782 -7.172 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.812 4.468 -5.851 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.751 5.135 -6.380 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.745 5.590 -7.230 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.981 2.778 -7.240 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.941 3.885 -8.633 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.287 2.237 -8.787 1.00 0.00 H new ATOM 117 N LEU A 7 0.413 2.392 -11.646 1.00 0.00 N ATOM 118 CA LEU A 7 -0.054 1.565 -12.771 1.00 0.00 C ATOM 119 C LEU A 7 1.057 0.648 -13.325 1.00 0.00 C ATOM 120 O LEU A 7 0.838 -0.552 -13.501 1.00 0.00 O ATOM 121 CB LEU A 7 -0.565 2.469 -13.920 1.00 0.00 C ATOM 122 CG LEU A 7 -1.844 3.287 -13.643 1.00 0.00 C ATOM 123 CD1 LEU A 7 -1.972 4.457 -14.621 1.00 0.00 C ATOM 124 CD2 LEU A 7 -3.115 2.464 -13.778 1.00 0.00 C ATOM 0 H LEU A 7 0.300 3.388 -11.833 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.859 0.938 -12.388 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.232 3.163 -14.186 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.745 1.841 -14.792 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.741 3.635 -12.615 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.882 5.016 -14.403 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.109 5.114 -14.517 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.017 4.075 -15.641 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.980 3.094 -13.571 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.187 2.070 -14.792 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.090 1.637 -13.068 1.00 0.00 H new ATOM 136 N LYS A 8 2.255 1.201 -13.581 1.00 0.00 N ATOM 137 CA LYS A 8 3.408 0.540 -14.240 1.00 0.00 C ATOM 138 C LYS A 8 4.163 -0.474 -13.364 1.00 0.00 C ATOM 139 O LYS A 8 5.311 -0.817 -13.660 1.00 0.00 O ATOM 140 CB LYS A 8 4.353 1.607 -14.843 1.00 0.00 C ATOM 141 CG LYS A 8 3.728 2.352 -16.037 1.00 0.00 C ATOM 142 CD LYS A 8 3.778 1.529 -17.334 1.00 0.00 C ATOM 143 CE LYS A 8 2.946 2.217 -18.422 1.00 0.00 C ATOM 144 NZ LYS A 8 3.113 1.552 -19.740 1.00 0.00 N ATOM 0 H LYS A 8 2.461 2.166 -13.324 1.00 0.00 H new ATOM 0 HA LYS A 8 2.992 -0.071 -15.041 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.620 2.328 -14.070 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.278 1.127 -15.164 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.692 2.598 -15.806 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.253 3.295 -16.188 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.810 1.422 -17.667 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.396 0.525 -17.152 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.894 2.205 -18.138 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.243 3.263 -18.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.536 2.043 -20.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.114 1.586 -20.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.806 0.561 -19.670 1.00 0.00 H new ATOM 158 N GLY A 9 3.514 -1.010 -12.329 1.00 0.00 N ATOM 159 CA GLY A 9 3.959 -2.226 -11.658 1.00 0.00 C ATOM 160 C GLY A 9 2.926 -3.260 -11.246 1.00 0.00 C ATOM 161 O GLY A 9 3.288 -4.423 -11.070 1.00 0.00 O ATOM 0 H GLY A 9 2.663 -0.610 -11.934 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.676 -2.720 -12.314 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.501 -1.927 -10.761 1.00 0.00 H new ATOM 165 N GLU A 10 1.646 -2.915 -11.169 1.00 0.00 N ATOM 166 CA GLU A 10 0.604 -3.948 -11.004 1.00 0.00 C ATOM 167 C GLU A 10 0.579 -4.988 -12.128 1.00 0.00 C ATOM 168 O GLU A 10 0.374 -6.174 -11.850 1.00 0.00 O ATOM 169 CB GLU A 10 -0.769 -3.279 -10.894 1.00 0.00 C ATOM 170 CG GLU A 10 -0.996 -2.641 -9.521 1.00 0.00 C ATOM 171 CD GLU A 10 -2.122 -3.320 -8.760 1.00 0.00 C ATOM 172 OE1 GLU A 10 -1.980 -4.295 -8.009 1.00 0.00 O ATOM 173 OE2 GLU A 10 -3.333 -3.020 -8.745 1.00 0.00 O ATOM 0 H GLU A 10 1.300 -1.957 -11.216 1.00 0.00 H new ATOM 0 HA GLU A 10 0.849 -4.489 -10.090 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.862 -2.516 -11.667 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.547 -4.019 -11.082 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.077 -2.699 -8.938 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.228 -1.583 -9.646 1.00 0.00 H new ATOM 180 N LEU A 11 0.824 -4.596 -13.385 1.00 0.00 N ATOM 181 CA LEU A 11 0.693 -5.536 -14.506 1.00 0.00 C ATOM 182 C LEU A 11 1.717 -6.683 -14.448 1.00 0.00 C ATOM 183 O LEU A 11 1.452 -7.814 -14.859 1.00 0.00 O ATOM 184 CB LEU A 11 0.673 -4.720 -15.806 1.00 0.00 C ATOM 185 CG LEU A 11 2.028 -4.586 -16.506 1.00 0.00 C ATOM 186 CD1 LEU A 11 2.277 -5.713 -17.511 1.00 0.00 C ATOM 187 CD2 LEU A 11 2.111 -3.250 -17.235 1.00 0.00 C ATOM 0 H LEU A 11 1.109 -3.653 -13.649 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.251 -6.078 -14.447 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.032 -5.182 -16.497 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.295 -3.722 -15.585 1.00 0.00 H new ATOM 0 HG LEU A 11 2.792 -4.646 -15.731 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.251 -5.573 -17.981 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.258 -6.672 -16.994 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.500 -5.697 -18.275 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.079 -3.165 -17.729 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.317 -3.192 -17.979 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.997 -2.437 -16.518 1.00 0.00 H new ATOM 199 N GLN A 12 2.864 -6.377 -13.848 1.00 0.00 N ATOM 200 CA GLN A 12 3.989 -7.257 -13.608 1.00 0.00 C ATOM 201 C GLN A 12 3.650 -8.386 -12.612 1.00 0.00 C ATOM 202 O GLN A 12 4.297 -9.434 -12.626 1.00 0.00 O ATOM 203 CB GLN A 12 5.162 -6.360 -13.164 1.00 0.00 C ATOM 204 CG GLN A 12 6.475 -7.157 -13.106 1.00 0.00 C ATOM 205 CD GLN A 12 7.713 -6.274 -13.221 1.00 0.00 C ATOM 206 OE1 GLN A 12 8.304 -5.843 -12.239 1.00 0.00 O ATOM 207 NE2 GLN A 12 8.164 -5.980 -14.425 1.00 0.00 N ATOM 0 H GLN A 12 3.038 -5.437 -13.493 1.00 0.00 H new ATOM 0 HA GLN A 12 4.267 -7.797 -14.513 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.269 -5.526 -13.858 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.948 -5.934 -12.184 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.516 -7.711 -12.168 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.483 -7.892 -13.911 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.681 -6.333 -15.251 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.996 -5.400 -14.530 1.00 0.00 H new ATOM 216 N GLY A 13 2.588 -8.219 -11.809 1.00 0.00 N ATOM 217 CA GLY A 13 2.040 -9.276 -10.959 1.00 0.00 C ATOM 218 C GLY A 13 1.003 -10.123 -11.696 1.00 0.00 C ATOM 219 O GLY A 13 1.052 -11.350 -11.605 1.00 0.00 O ATOM 0 H GLY A 13 2.084 -7.336 -11.734 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.850 -9.917 -10.610 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.583 -8.830 -10.076 1.00 0.00 H new ATOM 223 N ILE A 14 0.115 -9.499 -12.489 1.00 0.00 N ATOM 224 CA ILE A 14 -0.991 -10.199 -13.184 1.00 0.00 C ATOM 225 C ILE A 14 -0.470 -11.373 -14.022 1.00 0.00 C ATOM 226 O ILE A 14 -0.962 -12.500 -13.916 1.00 0.00 O ATOM 227 CB ILE A 14 -1.812 -9.244 -14.084 1.00 0.00 C ATOM 228 CG1 ILE A 14 -2.392 -8.057 -13.296 1.00 0.00 C ATOM 229 CG2 ILE A 14 -2.972 -10.010 -14.755 1.00 0.00 C ATOM 230 CD1 ILE A 14 -2.952 -6.939 -14.182 1.00 0.00 C ATOM 0 H ILE A 14 0.140 -8.495 -12.669 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.649 -10.582 -12.404 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.128 -8.853 -14.837 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.184 -8.420 -12.642 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.613 -7.644 -12.655 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.542 -9.328 -15.385 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.569 -10.818 -15.366 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.625 -10.426 -13.988 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.343 -6.138 -13.554 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.159 -6.547 -14.818 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.754 -7.335 -14.805 1.00 0.00 H new ATOM 242 N LYS A 15 0.566 -11.113 -14.830 1.00 0.00 N ATOM 243 CA LYS A 15 1.155 -12.106 -15.734 1.00 0.00 C ATOM 244 C LYS A 15 1.962 -13.199 -15.025 1.00 0.00 C ATOM 245 O LYS A 15 2.118 -14.289 -15.577 1.00 0.00 O ATOM 246 CB LYS A 15 1.974 -11.402 -16.836 1.00 0.00 C ATOM 247 CG LYS A 15 1.166 -11.326 -18.143 1.00 0.00 C ATOM 248 CD LYS A 15 1.827 -10.464 -19.230 1.00 0.00 C ATOM 249 CE LYS A 15 3.230 -10.960 -19.611 1.00 0.00 C ATOM 250 NZ LYS A 15 3.824 -10.132 -20.694 1.00 0.00 N ATOM 0 H LYS A 15 1.021 -10.201 -14.874 1.00 0.00 H new ATOM 0 HA LYS A 15 0.324 -12.639 -16.196 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.245 -10.398 -16.510 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.904 -11.943 -17.008 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.022 -12.335 -18.530 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.177 -10.924 -17.925 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.195 -10.459 -20.118 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.893 -9.434 -18.880 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.877 -10.933 -18.734 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.174 -11.999 -19.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.771 -10.493 -20.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.218 -10.178 -21.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.899 -9.145 -20.375 1.00 0.00 H new ATOM 264 N GLN A 16 2.434 -12.950 -13.801 1.00 0.00 N ATOM 265 CA GLN A 16 3.135 -13.935 -12.981 1.00 0.00 C ATOM 266 C GLN A 16 2.178 -14.850 -12.210 1.00 0.00 C ATOM 267 O GLN A 16 2.426 -16.051 -12.109 1.00 0.00 O ATOM 268 CB GLN A 16 4.077 -13.219 -12.006 1.00 0.00 C ATOM 269 CG GLN A 16 5.478 -12.970 -12.582 1.00 0.00 C ATOM 270 CD GLN A 16 6.539 -12.986 -11.481 1.00 0.00 C ATOM 271 OE1 GLN A 16 7.006 -11.960 -11.005 1.00 0.00 O ATOM 272 NE2 GLN A 16 6.952 -14.154 -11.030 1.00 0.00 N ATOM 0 H GLN A 16 2.337 -12.042 -13.346 1.00 0.00 H new ATOM 0 HA GLN A 16 3.708 -14.571 -13.656 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.635 -12.264 -11.721 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.167 -13.813 -11.097 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.710 -13.733 -13.325 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.497 -12.009 -13.096 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.569 -15.015 -11.420 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.654 -14.196 -10.291 1.00 0.00 H new ATOM 281 N TYR A 17 1.060 -14.316 -11.719 1.00 0.00 N ATOM 282 CA TYR A 17 0.031 -15.093 -11.032 1.00 0.00 C ATOM 283 C TYR A 17 -0.533 -16.223 -11.896 1.00 0.00 C ATOM 284 O TYR A 17 -0.755 -17.330 -11.400 1.00 0.00 O ATOM 285 CB TYR A 17 -1.112 -14.166 -10.614 1.00 0.00 C ATOM 286 CG TYR A 17 -0.862 -13.337 -9.370 1.00 0.00 C ATOM 287 CD1 TYR A 17 -0.531 -13.967 -8.154 1.00 0.00 C ATOM 288 CD2 TYR A 17 -1.020 -11.939 -9.416 1.00 0.00 C ATOM 289 CE1 TYR A 17 -0.329 -13.194 -6.996 1.00 0.00 C ATOM 290 CE2 TYR A 17 -0.814 -11.163 -8.263 1.00 0.00 C ATOM 291 CZ TYR A 17 -0.466 -11.788 -7.050 1.00 0.00 C ATOM 292 OH TYR A 17 -0.360 -11.043 -5.920 1.00 0.00 O ATOM 0 H TYR A 17 0.842 -13.322 -11.788 1.00 0.00 H new ATOM 0 HA TYR A 17 0.501 -15.550 -10.161 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.329 -13.490 -11.441 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.005 -14.770 -10.453 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.432 -15.042 -8.111 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.301 -11.460 -10.342 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.069 -13.675 -6.065 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.922 -10.089 -8.307 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.674 -10.132 -6.098 1.00 0.00 H new ATOM 302 N ARG A 18 -0.727 -15.977 -13.198 1.00 0.00 N ATOM 303 CA ARG A 18 -1.249 -17.001 -14.120 1.00 0.00 C ATOM 304 C ARG A 18 -0.303 -18.195 -14.316 1.00 0.00 C ATOM 305 O ARG A 18 -0.753 -19.307 -14.586 1.00 0.00 O ATOM 306 CB ARG A 18 -1.651 -16.350 -15.454 1.00 0.00 C ATOM 307 CG ARG A 18 -3.178 -16.348 -15.602 1.00 0.00 C ATOM 308 CD ARG A 18 -3.613 -15.574 -16.849 1.00 0.00 C ATOM 309 NE ARG A 18 -5.081 -15.591 -16.997 1.00 0.00 N ATOM 310 CZ ARG A 18 -5.779 -15.038 -17.972 1.00 0.00 C ATOM 311 NH1 ARG A 18 -5.209 -14.396 -18.954 1.00 0.00 N ATOM 312 NH2 ARG A 18 -7.078 -15.129 -17.986 1.00 0.00 N ATOM 0 H ARG A 18 -0.531 -15.079 -13.639 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.138 -17.429 -13.657 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.273 -15.329 -15.498 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.198 -16.893 -16.283 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.541 -17.374 -15.663 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.631 -15.901 -14.717 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.263 -14.544 -16.783 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.150 -16.012 -17.733 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.610 -16.079 -16.274 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.193 -14.309 -18.985 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.779 -13.981 -19.691 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.562 -15.630 -17.241 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.611 -14.700 -18.742 1.00 0.00 H new ATOM 326 N GLU A 19 0.997 -17.982 -14.122 1.00 0.00 N ATOM 327 CA GLU A 19 2.042 -19.017 -14.098 1.00 0.00 C ATOM 328 C GLU A 19 2.046 -19.833 -12.793 1.00 0.00 C ATOM 329 O GLU A 19 2.510 -20.973 -12.767 1.00 0.00 O ATOM 330 CB GLU A 19 3.405 -18.319 -14.233 1.00 0.00 C ATOM 331 CG GLU A 19 4.361 -18.962 -15.256 1.00 0.00 C ATOM 332 CD GLU A 19 5.262 -20.060 -14.655 1.00 0.00 C ATOM 333 OE1 GLU A 19 6.155 -19.732 -13.834 1.00 0.00 O ATOM 334 OE2 GLU A 19 5.136 -21.244 -15.053 1.00 0.00 O ATOM 0 H GLU A 19 1.372 -17.046 -13.970 1.00 0.00 H new ATOM 0 HA GLU A 19 1.845 -19.708 -14.917 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.239 -17.279 -14.515 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.891 -18.310 -13.258 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.775 -19.390 -16.069 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.990 -18.185 -15.691 1.00 0.00 H new ATOM 341 N ALA A 20 1.558 -19.249 -11.696 1.00 0.00 N ATOM 342 CA ALA A 20 1.709 -19.784 -10.350 1.00 0.00 C ATOM 343 C ALA A 20 0.628 -20.814 -9.978 1.00 0.00 C ATOM 344 O ALA A 20 0.918 -21.683 -9.155 1.00 0.00 O ATOM 345 CB ALA A 20 1.780 -18.613 -9.361 1.00 0.00 C ATOM 0 H ALA A 20 1.037 -18.373 -11.724 1.00 0.00 H new ATOM 0 HA ALA A 20 2.640 -20.349 -10.303 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.893 -18.999 -8.348 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.634 -17.981 -9.606 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.864 -18.026 -9.425 1.00 0.00 H new ATOM 351 N LEU A 21 -0.564 -20.819 -10.606 1.00 0.00 N ATOM 352 CA LEU A 21 -1.553 -21.903 -10.410 1.00 0.00 C ATOM 353 C LEU A 21 -0.959 -23.272 -10.742 1.00 0.00 C ATOM 354 O LEU A 21 -1.256 -24.249 -10.061 1.00 0.00 O ATOM 355 CB LEU A 21 -2.847 -21.673 -11.210 1.00 0.00 C ATOM 356 CG LEU A 21 -3.922 -22.762 -11.058 1.00 0.00 C ATOM 357 CD1 LEU A 21 -4.583 -22.698 -9.685 1.00 0.00 C ATOM 358 CD2 LEU A 21 -5.021 -22.580 -12.097 1.00 0.00 C ATOM 0 H LEU A 21 -0.867 -20.089 -11.251 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.815 -21.886 -9.352 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.276 -20.718 -10.906 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.590 -21.585 -12.266 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.420 -23.720 -11.189 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.338 -23.480 -9.608 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.829 -22.844 -8.911 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.054 -21.724 -9.553 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.772 -23.360 -11.973 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.487 -21.603 -11.966 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.591 -22.646 -13.097 1.00 0.00 H new ATOM 370 N GLU A 22 -0.054 -23.345 -11.718 1.00 0.00 N ATOM 371 CA GLU A 22 0.623 -24.599 -12.105 1.00 0.00 C ATOM 372 C GLU A 22 1.461 -25.245 -10.980 1.00 0.00 C ATOM 373 O GLU A 22 1.808 -26.426 -11.037 1.00 0.00 O ATOM 374 CB GLU A 22 1.522 -24.319 -13.311 1.00 0.00 C ATOM 375 CG GLU A 22 0.931 -24.935 -14.587 1.00 0.00 C ATOM 376 CD GLU A 22 1.813 -24.679 -15.824 1.00 0.00 C ATOM 377 OE1 GLU A 22 2.742 -25.483 -16.090 1.00 0.00 O ATOM 378 OE2 GLU A 22 1.561 -23.697 -16.564 1.00 0.00 O ATOM 0 H GLU A 22 0.237 -22.537 -12.269 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.162 -25.317 -12.342 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.638 -23.243 -13.441 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.516 -24.728 -13.132 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.810 -26.009 -14.446 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.063 -24.522 -14.760 1.00 0.00 H new ATOM 385 N TYR A 23 1.740 -24.455 -9.949 1.00 0.00 N ATOM 386 CA TYR A 23 2.555 -24.727 -8.762 1.00 0.00 C ATOM 387 C TYR A 23 1.729 -24.625 -7.460 1.00 0.00 C ATOM 388 O TYR A 23 2.264 -24.873 -6.377 1.00 0.00 O ATOM 389 CB TYR A 23 3.752 -23.749 -8.752 1.00 0.00 C ATOM 390 CG TYR A 23 4.951 -24.191 -9.576 1.00 0.00 C ATOM 391 CD1 TYR A 23 4.893 -24.196 -10.984 1.00 0.00 C ATOM 392 CD2 TYR A 23 6.136 -24.595 -8.928 1.00 0.00 C ATOM 393 CE1 TYR A 23 5.994 -24.645 -11.740 1.00 0.00 C ATOM 394 CE2 TYR A 23 7.246 -25.031 -9.679 1.00 0.00 C ATOM 395 CZ TYR A 23 7.172 -25.073 -11.089 1.00 0.00 C ATOM 396 OH TYR A 23 8.229 -25.521 -11.821 1.00 0.00 O ATOM 0 H TYR A 23 1.363 -23.508 -9.917 1.00 0.00 H new ATOM 0 HA TYR A 23 2.922 -25.752 -8.807 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.414 -22.781 -9.121 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.073 -23.602 -7.721 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.000 -23.854 -11.486 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.194 -24.570 -7.850 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.937 -24.662 -12.818 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.153 -25.333 -9.177 1.00 0.00 H new ATOM 0 HH TYR A 23 8.959 -25.775 -11.219 1.00 0.00 H new ATOM 406 N THR A 24 0.430 -24.292 -7.538 1.00 0.00 N ATOM 407 CA THR A 24 -0.417 -24.006 -6.359 1.00 0.00 C ATOM 408 C THR A 24 -1.841 -24.580 -6.390 1.00 0.00 C ATOM 409 O THR A 24 -2.369 -24.860 -5.315 1.00 0.00 O ATOM 410 CB THR A 24 -0.515 -22.497 -6.087 1.00 0.00 C ATOM 411 OG1 THR A 24 -0.938 -21.821 -7.228 1.00 0.00 O ATOM 412 CG2 THR A 24 0.790 -21.837 -5.639 1.00 0.00 C ATOM 0 H THR A 24 -0.069 -24.212 -8.424 1.00 0.00 H new ATOM 0 HA THR A 24 0.107 -24.526 -5.557 1.00 0.00 H new ATOM 0 HB THR A 24 -1.229 -22.421 -5.267 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.231 -21.849 -7.906 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.621 -20.773 -5.472 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.133 -22.300 -4.714 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.547 -21.967 -6.412 1.00 0.00 H new ATOM 420 N HIS A 25 -2.452 -24.816 -7.563 1.00 0.00 N ATOM 421 CA HIS A 25 -3.766 -25.487 -7.756 1.00 0.00 C ATOM 422 C HIS A 25 -4.862 -25.081 -6.731 1.00 0.00 C ATOM 423 O HIS A 25 -5.554 -25.936 -6.175 1.00 0.00 O ATOM 424 CB HIS A 25 -3.528 -26.995 -7.948 1.00 0.00 C ATOM 425 CG HIS A 25 -3.034 -27.278 -9.351 1.00 0.00 C ATOM 426 ND1 HIS A 25 -3.834 -27.458 -10.469 1.00 0.00 N ATOM 427 CD2 HIS A 25 -1.733 -27.276 -9.773 1.00 0.00 C ATOM 428 CE1 HIS A 25 -3.032 -27.568 -11.548 1.00 0.00 C ATOM 429 NE2 HIS A 25 -1.748 -27.472 -11.144 1.00 0.00 N ATOM 0 H HIS A 25 -2.031 -24.535 -8.448 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.225 -25.117 -8.673 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.798 -27.350 -7.220 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.453 -27.542 -7.764 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.858 -27.146 -9.153 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -3.363 -27.709 -12.566 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -0.927 -27.533 -11.746 1.00 0.00 H new ATOM 438 N ASN A 26 -5.021 -23.768 -6.492 1.00 0.00 N ATOM 439 CA ASN A 26 -5.839 -23.182 -5.413 1.00 0.00 C ATOM 440 C ASN A 26 -6.861 -22.122 -5.895 1.00 0.00 C ATOM 441 O ASN A 26 -6.629 -21.452 -6.904 1.00 0.00 O ATOM 442 CB ASN A 26 -4.883 -22.611 -4.338 1.00 0.00 C ATOM 443 CG ASN A 26 -4.798 -23.510 -3.105 1.00 0.00 C ATOM 444 OD1 ASN A 26 -4.693 -24.724 -3.181 1.00 0.00 O ATOM 445 ND2 ASN A 26 -4.895 -22.957 -1.917 1.00 0.00 N ATOM 0 H ASN A 26 -4.567 -23.058 -7.066 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.458 -23.974 -4.993 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.888 -22.490 -4.766 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.225 -21.620 -4.040 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.882 -23.540 -1.080 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.983 -21.944 -1.831 1.00 0.00 H new ATOM 452 N PRO A 27 -7.962 -21.900 -5.140 1.00 0.00 N ATOM 453 CA PRO A 27 -8.987 -20.895 -5.456 1.00 0.00 C ATOM 454 C PRO A 27 -8.541 -19.449 -5.181 1.00 0.00 C ATOM 455 O PRO A 27 -9.222 -18.502 -5.571 1.00 0.00 O ATOM 456 CB PRO A 27 -10.188 -21.264 -4.575 1.00 0.00 C ATOM 457 CG PRO A 27 -9.536 -21.881 -3.340 1.00 0.00 C ATOM 458 CD PRO A 27 -8.342 -22.627 -3.931 1.00 0.00 C ATOM 0 HA PRO A 27 -9.212 -20.913 -6.522 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.785 -20.388 -4.320 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.853 -21.969 -5.074 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.225 -21.121 -2.624 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.215 -22.554 -2.816 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.515 -22.661 -3.222 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.605 -23.659 -4.164 1.00 0.00 H new ATOM 466 N VAL A 28 -7.405 -19.254 -4.504 1.00 0.00 N ATOM 467 CA VAL A 28 -6.908 -17.939 -4.088 1.00 0.00 C ATOM 468 C VAL A 28 -6.448 -17.110 -5.288 1.00 0.00 C ATOM 469 O VAL A 28 -6.672 -15.905 -5.333 1.00 0.00 O ATOM 470 CB VAL A 28 -5.771 -18.103 -3.070 1.00 0.00 C ATOM 471 CG1 VAL A 28 -5.537 -16.799 -2.329 1.00 0.00 C ATOM 472 CG2 VAL A 28 -6.032 -19.161 -1.985 1.00 0.00 C ATOM 0 H VAL A 28 -6.793 -20.021 -4.224 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.729 -17.400 -3.615 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.916 -18.417 -3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.728 -16.929 -1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.268 -16.019 -3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.447 -16.511 -1.803 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.177 -19.209 -1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.925 -18.891 -1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.179 -20.134 -2.454 1.00 0.00 H new ATOM 482 N LEU A 29 -5.875 -17.736 -6.316 1.00 0.00 N ATOM 483 CA LEU A 29 -5.474 -17.041 -7.537 1.00 0.00 C ATOM 484 C LEU A 29 -6.694 -16.483 -8.295 1.00 0.00 C ATOM 485 O LEU A 29 -6.638 -15.363 -8.798 1.00 0.00 O ATOM 486 CB LEU A 29 -4.617 -17.984 -8.393 1.00 0.00 C ATOM 487 CG LEU A 29 -3.363 -18.496 -7.656 1.00 0.00 C ATOM 488 CD1 LEU A 29 -3.540 -19.934 -7.181 1.00 0.00 C ATOM 489 CD2 LEU A 29 -2.128 -18.419 -8.551 1.00 0.00 C ATOM 0 H LEU A 29 -5.677 -18.736 -6.325 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.868 -16.172 -7.282 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.223 -18.836 -8.702 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.311 -17.464 -9.301 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.224 -17.850 -6.789 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.637 -20.261 -6.666 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.387 -19.990 -6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.723 -20.581 -8.039 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.259 -18.786 -8.005 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.284 -19.031 -9.439 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.958 -17.384 -8.849 1.00 0.00 H new ATOM 501 N ALA A 30 -7.829 -17.192 -8.251 1.00 0.00 N ATOM 502 CA ALA A 30 -9.140 -16.731 -8.737 1.00 0.00 C ATOM 503 C ALA A 30 -9.775 -15.598 -7.889 1.00 0.00 C ATOM 504 O ALA A 30 -10.903 -15.179 -8.155 1.00 0.00 O ATOM 505 CB ALA A 30 -10.071 -17.947 -8.853 1.00 0.00 C ATOM 0 H ALA A 30 -7.863 -18.135 -7.863 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.987 -16.274 -9.715 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.048 -17.624 -9.212 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.646 -18.665 -9.554 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.181 -18.416 -7.875 1.00 0.00 H new ATOM 511 N LYS A 31 -9.050 -15.075 -6.891 1.00 0.00 N ATOM 512 CA LYS A 31 -9.355 -13.871 -6.114 1.00 0.00 C ATOM 513 C LYS A 31 -8.275 -12.814 -6.296 1.00 0.00 C ATOM 514 O LYS A 31 -8.596 -11.676 -6.620 1.00 0.00 O ATOM 515 CB LYS A 31 -9.524 -14.239 -4.621 1.00 0.00 C ATOM 516 CG LYS A 31 -10.823 -15.005 -4.331 1.00 0.00 C ATOM 517 CD LYS A 31 -11.994 -14.026 -4.166 1.00 0.00 C ATOM 518 CE LYS A 31 -13.324 -14.685 -4.539 1.00 0.00 C ATOM 519 NZ LYS A 31 -14.363 -13.659 -4.815 1.00 0.00 N ATOM 0 H LYS A 31 -8.180 -15.511 -6.587 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.291 -13.448 -6.479 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.674 -14.844 -4.304 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.506 -13.327 -4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.033 -15.700 -5.144 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.708 -15.600 -3.425 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.036 -13.675 -3.135 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.830 -13.150 -4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.188 -15.317 -5.417 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.654 -15.334 -3.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.256 -14.128 -5.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.506 -13.073 -3.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.055 -13.057 -5.605 1.00 0.00 H new ATOM 533 N ILE A 32 -7.004 -13.200 -6.170 1.00 0.00 N ATOM 534 CA ILE A 32 -5.875 -12.267 -6.233 1.00 0.00 C ATOM 535 C ILE A 32 -5.755 -11.655 -7.623 1.00 0.00 C ATOM 536 O ILE A 32 -6.072 -10.483 -7.806 1.00 0.00 O ATOM 537 CB ILE A 32 -4.551 -12.928 -5.805 1.00 0.00 C ATOM 538 CG1 ILE A 32 -4.555 -13.540 -4.390 1.00 0.00 C ATOM 539 CG2 ILE A 32 -3.448 -11.863 -5.849 1.00 0.00 C ATOM 540 CD1 ILE A 32 -3.552 -14.699 -4.328 1.00 0.00 C ATOM 0 H ILE A 32 -6.727 -14.170 -6.021 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.077 -11.467 -5.520 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.389 -13.753 -6.499 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.294 -12.780 -3.653 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.554 -13.897 -4.140 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.500 -12.309 -5.549 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.361 -11.471 -6.862 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.699 -11.051 -5.167 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.556 -15.131 -3.327 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.833 -15.462 -5.053 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.553 -14.329 -4.559 1.00 0.00 H new ATOM 552 N LEU A 33 -5.339 -12.443 -8.620 1.00 0.00 N ATOM 553 CA LEU A 33 -5.154 -11.931 -9.977 1.00 0.00 C ATOM 554 C LEU A 33 -6.481 -11.507 -10.603 1.00 0.00 C ATOM 555 O LEU A 33 -6.496 -10.632 -11.459 1.00 0.00 O ATOM 556 CB LEU A 33 -4.372 -12.943 -10.827 1.00 0.00 C ATOM 557 CG LEU A 33 -5.205 -14.025 -11.542 1.00 0.00 C ATOM 558 CD1 LEU A 33 -5.643 -13.620 -12.953 1.00 0.00 C ATOM 559 CD2 LEU A 33 -4.420 -15.330 -11.675 1.00 0.00 C ATOM 0 H LEU A 33 -5.125 -13.434 -8.511 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.551 -11.024 -9.933 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.808 -12.393 -11.580 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.646 -13.440 -10.184 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.088 -14.155 -10.916 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.225 -14.427 -13.399 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.253 -12.719 -12.900 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.763 -13.426 -13.566 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.034 -16.074 -12.183 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.513 -15.152 -12.253 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.153 -15.696 -10.684 1.00 0.00 H new ATOM 571 N GLU A 34 -7.593 -12.095 -10.150 1.00 0.00 N ATOM 572 CA GLU A 34 -8.923 -11.688 -10.585 1.00 0.00 C ATOM 573 C GLU A 34 -9.230 -10.233 -10.195 1.00 0.00 C ATOM 574 O GLU A 34 -9.795 -9.493 -11.003 1.00 0.00 O ATOM 575 CB GLU A 34 -9.982 -12.671 -10.071 1.00 0.00 C ATOM 576 CG GLU A 34 -11.380 -12.295 -10.588 1.00 0.00 C ATOM 577 CD GLU A 34 -12.346 -13.496 -10.635 1.00 0.00 C ATOM 578 OE1 GLU A 34 -12.138 -14.413 -11.469 1.00 0.00 O ATOM 579 OE2 GLU A 34 -13.363 -13.490 -9.900 1.00 0.00 O ATOM 0 H GLU A 34 -7.592 -12.861 -9.476 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.951 -11.720 -11.674 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.731 -13.682 -10.392 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.982 -12.674 -8.981 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.802 -11.520 -9.948 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.290 -11.869 -11.587 1.00 0.00 H new ATOM 586 N ASP A 35 -8.799 -9.780 -9.013 1.00 0.00 N ATOM 587 CA ASP A 35 -8.811 -8.358 -8.678 1.00 0.00 C ATOM 588 C ASP A 35 -7.801 -7.551 -9.492 1.00 0.00 C ATOM 589 O ASP A 35 -8.173 -6.547 -10.104 1.00 0.00 O ATOM 590 CB ASP A 35 -8.536 -8.192 -7.181 1.00 0.00 C ATOM 591 CG ASP A 35 -9.595 -8.756 -6.219 1.00 0.00 C ATOM 592 OD1 ASP A 35 -10.786 -8.884 -6.599 1.00 0.00 O ATOM 593 OD2 ASP A 35 -9.214 -9.002 -5.048 1.00 0.00 O ATOM 0 H ASP A 35 -8.437 -10.382 -8.273 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.797 -7.967 -8.928 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.582 -8.669 -6.955 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.418 -7.129 -6.972 1.00 0.00 H new ATOM 598 N GLU A 36 -6.546 -7.996 -9.579 1.00 0.00 N ATOM 599 CA GLU A 36 -5.521 -7.275 -10.332 1.00 0.00 C ATOM 600 C GLU A 36 -5.860 -7.068 -11.812 1.00 0.00 C ATOM 601 O GLU A 36 -5.397 -6.098 -12.411 1.00 0.00 O ATOM 602 CB GLU A 36 -4.166 -7.978 -10.209 1.00 0.00 C ATOM 603 CG GLU A 36 -3.675 -8.268 -8.792 1.00 0.00 C ATOM 604 CD GLU A 36 -3.490 -7.035 -7.924 1.00 0.00 C ATOM 605 OE1 GLU A 36 -4.035 -5.931 -8.164 1.00 0.00 O ATOM 606 OE2 GLU A 36 -2.823 -7.119 -6.875 1.00 0.00 O ATOM 0 H GLU A 36 -6.216 -8.854 -9.136 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.475 -6.283 -9.882 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.221 -8.922 -10.751 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.417 -7.366 -10.711 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.385 -8.936 -8.305 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.726 -8.800 -8.852 1.00 0.00 H new ATOM 613 N GLU A 37 -6.716 -7.916 -12.384 1.00 0.00 N ATOM 614 CA GLU A 37 -7.103 -7.840 -13.802 1.00 0.00 C ATOM 615 C GLU A 37 -7.930 -6.573 -14.085 1.00 0.00 C ATOM 616 O GLU A 37 -7.945 -6.044 -15.199 1.00 0.00 O ATOM 617 CB GLU A 37 -7.899 -9.101 -14.177 1.00 0.00 C ATOM 618 CG GLU A 37 -8.038 -9.343 -15.686 1.00 0.00 C ATOM 619 CD GLU A 37 -6.706 -9.778 -16.332 1.00 0.00 C ATOM 620 OE1 GLU A 37 -6.394 -10.993 -16.319 1.00 0.00 O ATOM 621 OE2 GLU A 37 -5.983 -8.914 -16.883 1.00 0.00 O ATOM 0 H GLU A 37 -7.165 -8.680 -11.878 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.201 -7.785 -14.412 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.415 -9.968 -13.726 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.895 -9.029 -13.740 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.792 -10.110 -15.861 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.393 -8.432 -16.167 1.00 0.00 H new ATOM 628 N LYS A 38 -8.595 -6.071 -13.039 1.00 0.00 N ATOM 629 CA LYS A 38 -9.491 -4.913 -13.043 1.00 0.00 C ATOM 630 C LYS A 38 -8.819 -3.692 -12.461 1.00 0.00 C ATOM 631 O LYS A 38 -8.962 -2.617 -13.027 1.00 0.00 O ATOM 632 CB LYS A 38 -10.744 -5.244 -12.219 1.00 0.00 C ATOM 633 CG LYS A 38 -11.435 -6.511 -12.728 1.00 0.00 C ATOM 634 CD LYS A 38 -12.704 -6.854 -11.947 1.00 0.00 C ATOM 635 CE LYS A 38 -12.379 -7.412 -10.556 1.00 0.00 C ATOM 636 NZ LYS A 38 -13.372 -8.435 -10.138 1.00 0.00 N ATOM 0 H LYS A 38 -8.516 -6.489 -12.112 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.760 -4.692 -14.076 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.468 -5.375 -11.173 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.440 -4.407 -12.263 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.686 -6.383 -13.781 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.739 -7.348 -12.666 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.322 -5.962 -11.846 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.289 -7.585 -12.505 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.382 -7.852 -10.562 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.364 -6.599 -9.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.125 -8.793 -9.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.320 -8.008 -10.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.368 -9.221 -10.818 1.00 0.00 H new ATOM 650 N HIS A 39 -8.059 -3.863 -11.380 1.00 0.00 N ATOM 651 CA HIS A 39 -7.435 -2.816 -10.592 1.00 0.00 C ATOM 652 C HIS A 39 -6.773 -1.714 -11.415 1.00 0.00 C ATOM 653 O HIS A 39 -7.103 -0.549 -11.223 1.00 0.00 O ATOM 654 CB HIS A 39 -6.415 -3.508 -9.705 1.00 0.00 C ATOM 655 CG HIS A 39 -6.937 -4.027 -8.404 1.00 0.00 C ATOM 656 ND1 HIS A 39 -6.118 -4.168 -7.287 1.00 0.00 N ATOM 657 CD2 HIS A 39 -8.225 -4.371 -8.098 1.00 0.00 C ATOM 658 CE1 HIS A 39 -6.946 -4.570 -6.307 1.00 0.00 C ATOM 659 NE2 HIS A 39 -8.212 -4.673 -6.752 1.00 0.00 N ATOM 0 H HIS A 39 -7.854 -4.793 -11.015 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.206 -2.296 -10.023 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.982 -4.340 -10.260 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.606 -2.808 -9.498 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.072 -4.400 -8.768 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.636 -4.783 -5.295 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.023 -4.930 -6.190 1.00 0.00 H new ATOM 667 N ILE A 40 -5.886 -2.065 -12.348 1.00 0.00 N ATOM 668 CA ILE A 40 -5.139 -1.081 -13.148 1.00 0.00 C ATOM 669 C ILE A 40 -6.090 -0.162 -13.909 1.00 0.00 C ATOM 670 O ILE A 40 -5.982 1.052 -13.794 1.00 0.00 O ATOM 671 CB ILE A 40 -4.160 -1.783 -14.113 1.00 0.00 C ATOM 672 CG1 ILE A 40 -3.246 -2.725 -13.311 1.00 0.00 C ATOM 673 CG2 ILE A 40 -3.316 -0.770 -14.909 1.00 0.00 C ATOM 674 CD1 ILE A 40 -2.162 -3.391 -14.154 1.00 0.00 C ATOM 0 H ILE A 40 -5.663 -3.035 -12.573 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.554 -0.467 -12.464 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.742 -2.356 -14.835 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.773 -2.161 -12.507 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.856 -3.498 -12.843 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.640 -1.304 -15.576 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.974 -0.130 -15.496 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.736 -0.158 -14.219 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.557 -4.040 -13.521 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.627 -3.983 -14.942 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.527 -2.626 -14.601 1.00 0.00 H new ATOM 686 N GLU A 41 -7.057 -0.727 -14.634 1.00 0.00 N ATOM 687 CA GLU A 41 -8.108 0.056 -15.291 1.00 0.00 C ATOM 688 C GLU A 41 -9.044 0.750 -14.293 1.00 0.00 C ATOM 689 O GLU A 41 -9.444 1.890 -14.520 1.00 0.00 O ATOM 690 CB GLU A 41 -8.877 -0.827 -16.286 1.00 0.00 C ATOM 691 CG GLU A 41 -8.212 -0.767 -17.669 1.00 0.00 C ATOM 692 CD GLU A 41 -8.890 -1.722 -18.669 1.00 0.00 C ATOM 693 OE1 GLU A 41 -9.983 -1.392 -19.192 1.00 0.00 O ATOM 694 OE2 GLU A 41 -8.324 -2.806 -18.959 1.00 0.00 O ATOM 0 H GLU A 41 -7.135 -1.733 -14.782 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.625 0.861 -15.844 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.899 -1.857 -15.929 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.912 -0.492 -16.357 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.258 0.253 -18.051 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.157 -1.025 -17.577 1.00 0.00 H new ATOM 701 N TRP A 42 -9.342 0.127 -13.154 1.00 0.00 N ATOM 702 CA TRP A 42 -10.121 0.732 -12.072 1.00 0.00 C ATOM 703 C TRP A 42 -9.564 2.086 -11.553 1.00 0.00 C ATOM 704 O TRP A 42 -10.369 2.951 -11.225 1.00 0.00 O ATOM 705 CB TRP A 42 -10.303 -0.333 -10.971 1.00 0.00 C ATOM 706 CG TRP A 42 -11.464 -1.270 -11.084 1.00 0.00 C ATOM 707 CD1 TRP A 42 -12.306 -1.395 -12.134 1.00 0.00 C ATOM 708 CD2 TRP A 42 -11.894 -2.263 -10.105 1.00 0.00 C ATOM 709 NE1 TRP A 42 -13.258 -2.356 -11.847 1.00 0.00 N ATOM 710 CE2 TRP A 42 -13.050 -2.931 -10.608 1.00 0.00 C ATOM 711 CE3 TRP A 42 -11.410 -2.674 -8.844 1.00 0.00 C ATOM 712 CZ2 TRP A 42 -13.703 -3.940 -9.884 1.00 0.00 C ATOM 713 CZ3 TRP A 42 -12.049 -3.693 -8.113 1.00 0.00 C ATOM 714 CH2 TRP A 42 -13.199 -4.322 -8.627 1.00 0.00 C ATOM 0 H TRP A 42 -9.045 -0.828 -12.953 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.096 1.025 -12.462 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.393 -0.932 -10.932 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.384 0.185 -10.016 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.245 -0.832 -13.054 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -14.021 -2.610 -12.474 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.533 -2.197 -8.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.583 -4.418 -10.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.655 -3.994 -7.153 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.693 -5.096 -8.058 1.00 0.00 H new ATOM 725 N LEU A 43 -8.247 2.350 -11.559 1.00 0.00 N ATOM 726 CA LEU A 43 -7.624 3.646 -11.162 1.00 0.00 C ATOM 727 C LEU A 43 -7.196 4.579 -12.340 1.00 0.00 C ATOM 728 O LEU A 43 -6.244 5.343 -12.251 1.00 0.00 O ATOM 729 CB LEU A 43 -6.512 3.377 -10.135 1.00 0.00 C ATOM 730 CG LEU A 43 -5.221 2.836 -10.769 1.00 0.00 C ATOM 731 CD1 LEU A 43 -4.056 3.780 -10.536 1.00 0.00 C ATOM 732 CD2 LEU A 43 -4.774 1.530 -10.144 1.00 0.00 C ATOM 0 H LEU A 43 -7.558 1.655 -11.847 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.402 4.246 -10.689 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.288 4.301 -9.601 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.874 2.662 -9.396 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.461 2.715 -11.825 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.157 3.369 -10.996 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.280 4.750 -10.979 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.893 3.899 -9.465 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.858 1.190 -10.627 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.589 1.680 -9.080 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.553 0.779 -10.274 1.00 0.00 H new ATOM 744 N GLU A 44 -7.914 4.535 -13.454 1.00 0.00 N ATOM 745 CA GLU A 44 -7.610 4.994 -14.810 1.00 0.00 C ATOM 746 C GLU A 44 -8.888 5.337 -15.586 1.00 0.00 C ATOM 747 O GLU A 44 -8.986 6.422 -16.154 1.00 0.00 O ATOM 748 CB GLU A 44 -6.886 3.872 -15.560 1.00 0.00 C ATOM 749 CG GLU A 44 -5.582 4.323 -16.221 1.00 0.00 C ATOM 750 CD GLU A 44 -5.754 4.704 -17.707 1.00 0.00 C ATOM 751 OE1 GLU A 44 -5.705 3.801 -18.579 1.00 0.00 O ATOM 752 OE2 GLU A 44 -5.909 5.910 -18.019 1.00 0.00 O ATOM 0 H GLU A 44 -8.847 4.123 -13.427 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.992 5.889 -14.735 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.670 3.061 -14.864 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.551 3.468 -16.324 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.183 5.179 -15.677 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.846 3.523 -16.140 1.00 0.00 H new ATOM 759 N THR A 45 -9.907 4.467 -15.548 1.00 0.00 N ATOM 760 CA THR A 45 -11.248 4.746 -16.074 1.00 0.00 C ATOM 761 C THR A 45 -11.857 6.005 -15.428 1.00 0.00 C ATOM 762 O THR A 45 -12.519 6.807 -16.090 1.00 0.00 O ATOM 763 CB THR A 45 -12.146 3.511 -15.901 1.00 0.00 C ATOM 764 OG1 THR A 45 -11.657 2.437 -16.682 1.00 0.00 O ATOM 765 CG2 THR A 45 -13.600 3.725 -16.305 1.00 0.00 C ATOM 0 H THR A 45 -9.820 3.535 -15.144 1.00 0.00 H new ATOM 0 HA THR A 45 -11.169 4.957 -17.140 1.00 0.00 H new ATOM 0 HB THR A 45 -12.118 3.298 -14.832 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.911 2.006 -16.215 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.160 2.803 -16.150 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.033 4.519 -15.697 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.648 4.006 -17.357 1.00 0.00 H new ATOM 773 N ILE A 46 -11.547 6.215 -14.143 1.00 0.00 N ATOM 774 CA ILE A 46 -11.785 7.444 -13.353 1.00 0.00 C ATOM 775 C ILE A 46 -11.150 8.691 -13.977 1.00 0.00 C ATOM 776 O ILE A 46 -11.779 9.747 -14.082 1.00 0.00 O ATOM 777 CB ILE A 46 -11.150 7.310 -11.942 1.00 0.00 C ATOM 778 CG1 ILE A 46 -11.390 5.967 -11.260 1.00 0.00 C ATOM 779 CG2 ILE A 46 -11.527 8.458 -10.988 1.00 0.00 C ATOM 780 CD1 ILE A 46 -12.841 5.712 -10.808 1.00 0.00 C ATOM 0 H ILE A 46 -11.095 5.490 -13.586 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.869 7.557 -13.317 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.082 7.374 -12.150 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -11.094 5.172 -11.944 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.737 5.898 -10.390 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.049 8.300 -10.021 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -11.191 9.406 -11.408 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -12.609 8.482 -10.858 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -12.908 4.732 -10.335 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -13.140 6.480 -10.095 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -13.503 5.743 -11.674 1.00 0.00 H new ATOM 792 N LEU A 47 -9.857 8.570 -14.284 1.00 0.00 N ATOM 793 CA LEU A 47 -8.909 9.686 -14.369 1.00 0.00 C ATOM 794 C LEU A 47 -9.214 10.655 -15.513 1.00 0.00 C ATOM 795 O LEU A 47 -9.022 11.867 -15.374 1.00 0.00 O ATOM 796 CB LEU A 47 -7.475 9.134 -14.515 1.00 0.00 C ATOM 797 CG LEU A 47 -6.780 8.781 -13.192 1.00 0.00 C ATOM 798 CD1 LEU A 47 -5.441 8.112 -13.507 1.00 0.00 C ATOM 799 CD2 LEU A 47 -6.499 10.035 -12.357 1.00 0.00 C ATOM 0 H LEU A 47 -9.427 7.668 -14.486 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.007 10.257 -13.446 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.507 8.242 -15.141 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.869 9.872 -15.041 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.436 8.120 -12.626 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.935 7.855 -12.576 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.615 7.206 -14.088 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.818 8.797 -14.082 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.007 9.750 -11.427 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.852 10.709 -12.919 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.438 10.539 -12.130 1.00 0.00 H new ATOM 811 N GLY A 48 -9.704 10.124 -16.630 1.00 0.00 N ATOM 812 CA GLY A 48 -10.134 10.895 -17.793 1.00 0.00 C ATOM 813 C GLY A 48 -10.627 10.010 -18.941 1.00 0.00 C ATOM 814 O GLY A 48 -10.452 8.790 -18.945 1.00 0.00 O ATOM 0 H GLY A 48 -9.816 9.118 -16.755 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.932 11.576 -17.497 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.304 11.509 -18.144 1.00 0.00 H new HETATM 818 N NH2 A 49 -11.250 10.618 -19.941 1.00 0.00 N TER 821 NH2 A 49 HETATM 822 C ACE B 0 10.659 -19.978 -4.706 1.00 0.00 C HETATM 823 O ACE B 0 9.841 -19.295 -4.096 1.00 0.00 O HETATM 824 CH3 ACE B 0 10.467 -21.469 -4.828 1.00 0.00 C HETATM 0 H1 ACE B 0 10.396 -21.742 -5.881 1.00 0.00 H new HETATM 0 H2 ACE B 0 11.316 -21.983 -4.377 1.00 0.00 H new HETATM 0 H3 ACE B 0 9.551 -21.761 -4.315 1.00 0.00 H new ATOM 828 N ASP B 1 11.733 -19.465 -5.306 1.00 0.00 N ATOM 829 CA ASP B 1 12.120 -18.042 -5.253 1.00 0.00 C ATOM 830 C ASP B 1 11.035 -17.081 -5.779 1.00 0.00 C ATOM 831 O ASP B 1 10.939 -15.930 -5.345 1.00 0.00 O ATOM 832 CB ASP B 1 13.425 -17.860 -6.043 1.00 0.00 C ATOM 833 CG ASP B 1 14.151 -16.556 -5.672 1.00 0.00 C ATOM 834 OD1 ASP B 1 14.717 -16.480 -4.555 1.00 0.00 O ATOM 835 OD2 ASP B 1 14.194 -15.621 -6.506 1.00 0.00 O ATOM 0 H ASP B 1 12.377 -20.034 -5.856 1.00 0.00 H new ATOM 0 HA ASP B 1 12.257 -17.780 -4.204 1.00 0.00 H new ATOM 0 HB2 ASP B 1 14.084 -18.707 -5.853 1.00 0.00 H new ATOM 0 HB3 ASP B 1 13.205 -17.860 -7.110 1.00 0.00 H new ATOM 840 N TYR B 2 10.180 -17.579 -6.678 1.00 0.00 N ATOM 841 CA TYR B 2 9.038 -16.855 -7.246 1.00 0.00 C ATOM 842 C TYR B 2 8.079 -16.291 -6.189 1.00 0.00 C ATOM 843 O TYR B 2 7.556 -15.198 -6.376 1.00 0.00 O ATOM 844 CB TYR B 2 8.268 -17.752 -8.225 1.00 0.00 C ATOM 845 CG TYR B 2 7.353 -18.790 -7.593 1.00 0.00 C ATOM 846 CD1 TYR B 2 7.855 -20.055 -7.227 1.00 0.00 C ATOM 847 CD2 TYR B 2 6.001 -18.472 -7.347 1.00 0.00 C ATOM 848 CE1 TYR B 2 7.013 -20.991 -6.595 1.00 0.00 C ATOM 849 CE2 TYR B 2 5.157 -19.406 -6.718 1.00 0.00 C ATOM 850 CZ TYR B 2 5.664 -20.666 -6.333 1.00 0.00 C ATOM 851 OH TYR B 2 4.853 -21.550 -5.694 1.00 0.00 O ATOM 0 H TYR B 2 10.267 -18.528 -7.042 1.00 0.00 H new ATOM 0 HA TYR B 2 9.457 -15.999 -7.774 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.669 -17.116 -8.877 1.00 0.00 H new ATOM 0 HB3 TYR B 2 8.989 -18.269 -8.859 1.00 0.00 H new ATOM 0 HD1 TYR B 2 8.885 -20.307 -7.431 1.00 0.00 H new ATOM 0 HD2 TYR B 2 5.612 -17.509 -7.642 1.00 0.00 H new ATOM 0 HE1 TYR B 2 7.400 -21.958 -6.310 1.00 0.00 H new ATOM 0 HE2 TYR B 2 4.123 -19.159 -6.530 1.00 0.00 H new ATOM 0 HH TYR B 2 3.959 -21.162 -5.596 1.00 0.00 H new ATOM 861 N LEU B 3 7.872 -17.006 -5.077 1.00 0.00 N ATOM 862 CA LEU B 3 7.024 -16.577 -3.952 1.00 0.00 C ATOM 863 C LEU B 3 7.528 -15.253 -3.383 1.00 0.00 C ATOM 864 O LEU B 3 6.788 -14.274 -3.321 1.00 0.00 O ATOM 865 CB LEU B 3 7.039 -17.630 -2.823 1.00 0.00 C ATOM 866 CG LEU B 3 6.282 -18.931 -3.117 1.00 0.00 C ATOM 867 CD1 LEU B 3 6.615 -19.968 -2.043 1.00 0.00 C ATOM 868 CD2 LEU B 3 4.763 -18.729 -3.117 1.00 0.00 C ATOM 0 H LEU B 3 8.298 -17.921 -4.928 1.00 0.00 H new ATOM 0 HA LEU B 3 6.008 -16.459 -4.329 1.00 0.00 H new ATOM 0 HB2 LEU B 3 8.076 -17.878 -2.596 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.615 -17.180 -1.925 1.00 0.00 H new ATOM 0 HG LEU B 3 6.592 -19.266 -4.107 1.00 0.00 H new ATOM 0 HD11 LEU B 3 6.077 -20.893 -2.251 1.00 0.00 H new ATOM 0 HD12 LEU B 3 7.687 -20.163 -2.046 1.00 0.00 H new ATOM 0 HD13 LEU B 3 6.318 -19.588 -1.066 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.270 -19.677 -3.330 1.00 0.00 H new ATOM 0 HD22 LEU B 3 4.444 -18.365 -2.140 1.00 0.00 H new ATOM 0 HD23 LEU B 3 4.493 -18.000 -3.881 1.00 0.00 H new ATOM 880 N ARG B 4 8.809 -15.206 -3.005 1.00 0.00 N ATOM 881 CA ARG B 4 9.432 -13.991 -2.469 1.00 0.00 C ATOM 882 C ARG B 4 9.411 -12.855 -3.489 1.00 0.00 C ATOM 883 O ARG B 4 9.088 -11.730 -3.121 1.00 0.00 O ATOM 884 CB ARG B 4 10.838 -14.320 -1.946 1.00 0.00 C ATOM 885 CG ARG B 4 11.463 -13.133 -1.193 1.00 0.00 C ATOM 886 CD ARG B 4 12.427 -13.631 -0.107 1.00 0.00 C ATOM 887 NE ARG B 4 13.116 -12.526 0.589 1.00 0.00 N ATOM 888 CZ ARG B 4 12.642 -11.760 1.557 1.00 0.00 C ATOM 889 NH1 ARG B 4 11.405 -11.821 1.963 1.00 0.00 N ATOM 890 NH2 ARG B 4 13.420 -10.899 2.147 1.00 0.00 N ATOM 0 H ARG B 4 9.441 -16.005 -3.061 1.00 0.00 H new ATOM 0 HA ARG B 4 8.849 -13.626 -1.623 1.00 0.00 H new ATOM 0 HB2 ARG B 4 10.786 -15.183 -1.283 1.00 0.00 H new ATOM 0 HB3 ARG B 4 11.480 -14.598 -2.782 1.00 0.00 H new ATOM 0 HG2 ARG B 4 11.996 -12.491 -1.894 1.00 0.00 H new ATOM 0 HG3 ARG B 4 10.677 -12.528 -0.740 1.00 0.00 H new ATOM 0 HD2 ARG B 4 11.874 -14.225 0.620 1.00 0.00 H new ATOM 0 HD3 ARG B 4 13.169 -14.290 -0.559 1.00 0.00 H new ATOM 0 HE ARG B 4 14.071 -12.330 0.287 1.00 0.00 H new ATOM 0 HH11 ARG B 4 10.758 -12.480 1.530 1.00 0.00 H new ATOM 0 HH12 ARG B 4 11.084 -11.210 2.714 1.00 0.00 H new ATOM 0 HH21 ARG B 4 14.396 -10.815 1.863 1.00 0.00 H new ATOM 0 HH22 ARG B 4 13.054 -10.308 2.894 1.00 0.00 H new ATOM 904 N GLU B 5 9.647 -13.147 -4.768 1.00 0.00 N ATOM 905 CA GLU B 5 9.513 -12.162 -5.852 1.00 0.00 C ATOM 906 C GLU B 5 8.073 -11.610 -5.991 1.00 0.00 C ATOM 907 O GLU B 5 7.887 -10.423 -6.265 1.00 0.00 O ATOM 908 CB GLU B 5 10.033 -12.787 -7.156 1.00 0.00 C ATOM 909 CG GLU B 5 9.986 -11.833 -8.355 1.00 0.00 C ATOM 910 CD GLU B 5 10.802 -12.393 -9.537 1.00 0.00 C ATOM 911 OE1 GLU B 5 10.375 -13.397 -10.158 1.00 0.00 O ATOM 912 OE2 GLU B 5 11.881 -11.831 -9.851 1.00 0.00 O ATOM 0 H GLU B 5 9.937 -14.072 -5.086 1.00 0.00 H new ATOM 0 HA GLU B 5 10.119 -11.290 -5.608 1.00 0.00 H new ATOM 0 HB2 GLU B 5 11.061 -13.118 -7.006 1.00 0.00 H new ATOM 0 HB3 GLU B 5 9.442 -13.674 -7.385 1.00 0.00 H new ATOM 0 HG2 GLU B 5 8.952 -11.680 -8.662 1.00 0.00 H new ATOM 0 HG3 GLU B 5 10.380 -10.859 -8.065 1.00 0.00 H new ATOM 919 N LEU B 6 7.058 -12.445 -5.738 1.00 0.00 N ATOM 920 CA LEU B 6 5.637 -12.084 -5.711 1.00 0.00 C ATOM 921 C LEU B 6 5.280 -11.157 -4.535 1.00 0.00 C ATOM 922 O LEU B 6 4.730 -10.073 -4.742 1.00 0.00 O ATOM 923 CB LEU B 6 4.801 -13.388 -5.672 1.00 0.00 C ATOM 924 CG LEU B 6 3.920 -13.569 -6.910 1.00 0.00 C ATOM 925 CD1 LEU B 6 4.762 -13.817 -8.162 1.00 0.00 C ATOM 926 CD2 LEU B 6 2.973 -14.763 -6.763 1.00 0.00 C ATOM 0 H LEU B 6 7.212 -13.433 -5.538 1.00 0.00 H new ATOM 0 HA LEU B 6 5.406 -11.516 -6.612 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.473 -14.242 -5.583 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.172 -13.383 -4.782 1.00 0.00 H new ATOM 0 HG LEU B 6 3.350 -12.645 -7.007 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.106 -13.941 -9.023 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.424 -12.967 -8.330 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.358 -14.720 -8.027 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.365 -14.858 -7.662 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.555 -15.674 -6.621 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.324 -14.609 -5.901 1.00 0.00 H new ATOM 938 N LEU B 7 5.607 -11.566 -3.302 1.00 0.00 N ATOM 939 CA LEU B 7 5.369 -10.778 -2.084 1.00 0.00 C ATOM 940 C LEU B 7 6.102 -9.424 -2.087 1.00 0.00 C ATOM 941 O LEU B 7 5.510 -8.407 -1.716 1.00 0.00 O ATOM 942 CB LEU B 7 5.765 -11.552 -0.806 1.00 0.00 C ATOM 943 CG LEU B 7 4.703 -12.543 -0.286 1.00 0.00 C ATOM 944 CD1 LEU B 7 4.951 -13.963 -0.780 1.00 0.00 C ATOM 945 CD2 LEU B 7 4.697 -12.599 1.241 1.00 0.00 C ATOM 0 H LEU B 7 6.051 -12.466 -3.119 1.00 0.00 H new ATOM 0 HA LEU B 7 4.296 -10.589 -2.080 1.00 0.00 H new ATOM 0 HB2 LEU B 7 6.686 -12.101 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU B 7 5.985 -10.832 -0.017 1.00 0.00 H new ATOM 0 HG LEU B 7 3.750 -12.176 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU B 7 4.178 -14.625 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU B 7 4.924 -13.979 -1.870 1.00 0.00 H new ATOM 0 HD13 LEU B 7 5.928 -14.302 -0.436 1.00 0.00 H new ATOM 0 HD21 LEU B 7 3.938 -13.306 1.576 1.00 0.00 H new ATOM 0 HD22 LEU B 7 5.676 -12.921 1.597 1.00 0.00 H new ATOM 0 HD23 LEU B 7 4.473 -11.610 1.640 1.00 0.00 H new ATOM 957 N LYS B 8 7.376 -9.400 -2.505 1.00 0.00 N ATOM 958 CA LYS B 8 8.277 -8.226 -2.507 1.00 0.00 C ATOM 959 C LYS B 8 7.954 -7.213 -3.620 1.00 0.00 C ATOM 960 O LYS B 8 8.843 -6.750 -4.338 1.00 0.00 O ATOM 961 CB LYS B 8 9.750 -8.696 -2.552 1.00 0.00 C ATOM 962 CG LYS B 8 10.205 -9.443 -1.282 1.00 0.00 C ATOM 963 CD LYS B 8 10.532 -8.525 -0.093 1.00 0.00 C ATOM 964 CE LYS B 8 11.815 -7.717 -0.346 1.00 0.00 C ATOM 965 NZ LYS B 8 12.218 -6.929 0.847 1.00 0.00 N ATOM 0 H LYS B 8 7.833 -10.236 -2.869 1.00 0.00 H new ATOM 0 HA LYS B 8 8.112 -7.682 -1.577 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.887 -9.348 -3.414 1.00 0.00 H new ATOM 0 HB3 LYS B 8 10.394 -7.829 -2.702 1.00 0.00 H new ATOM 0 HG2 LYS B 8 9.422 -10.140 -0.984 1.00 0.00 H new ATOM 0 HG3 LYS B 8 11.087 -10.038 -1.520 1.00 0.00 H new ATOM 0 HD2 LYS B 8 9.700 -7.844 0.083 1.00 0.00 H new ATOM 0 HD3 LYS B 8 10.649 -9.124 0.810 1.00 0.00 H new ATOM 0 HE2 LYS B 8 12.622 -8.395 -0.623 1.00 0.00 H new ATOM 0 HE3 LYS B 8 11.660 -7.045 -1.190 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 13.087 -6.399 0.635 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 11.458 -6.264 1.096 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 12.391 -7.572 1.646 1.00 0.00 H new ATOM 979 N GLY B 9 6.679 -6.848 -3.760 1.00 0.00 N ATOM 980 CA GLY B 9 6.275 -5.750 -4.630 1.00 0.00 C ATOM 981 C GLY B 9 4.858 -5.228 -4.488 1.00 0.00 C ATOM 982 O GLY B 9 4.626 -4.028 -4.625 1.00 0.00 O ATOM 0 H GLY B 9 5.905 -7.303 -3.276 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.958 -4.918 -4.461 1.00 0.00 H new ATOM 0 HA3 GLY B 9 6.413 -6.071 -5.663 1.00 0.00 H new ATOM 986 N GLU B 10 3.917 -6.091 -4.128 1.00 0.00 N ATOM 987 CA GLU B 10 2.554 -5.674 -3.794 1.00 0.00 C ATOM 988 C GLU B 10 2.508 -4.697 -2.613 1.00 0.00 C ATOM 989 O GLU B 10 1.731 -3.744 -2.632 1.00 0.00 O ATOM 990 CB GLU B 10 1.721 -6.920 -3.490 1.00 0.00 C ATOM 991 CG GLU B 10 1.160 -7.565 -4.767 1.00 0.00 C ATOM 992 CD GLU B 10 -0.326 -7.898 -4.632 1.00 0.00 C ATOM 993 OE1 GLU B 10 -1.143 -7.281 -3.931 1.00 0.00 O ATOM 994 OE2 GLU B 10 -1.020 -8.392 -5.535 1.00 0.00 O ATOM 0 H GLU B 10 4.072 -7.097 -4.058 1.00 0.00 H new ATOM 0 HA GLU B 10 2.142 -5.140 -4.650 1.00 0.00 H new ATOM 0 HB2 GLU B 10 2.336 -7.646 -2.958 1.00 0.00 H new ATOM 0 HB3 GLU B 10 0.898 -6.653 -2.827 1.00 0.00 H new ATOM 0 HG2 GLU B 10 1.305 -6.889 -5.609 1.00 0.00 H new ATOM 0 HG3 GLU B 10 1.717 -8.475 -4.989 1.00 0.00 H new ATOM 1001 N LEU B 11 3.381 -4.875 -1.616 1.00 0.00 N ATOM 1002 CA LEU B 11 3.481 -4.021 -0.427 1.00 0.00 C ATOM 1003 C LEU B 11 3.828 -2.571 -0.810 1.00 0.00 C ATOM 1004 O LEU B 11 3.271 -1.615 -0.265 1.00 0.00 O ATOM 1005 CB LEU B 11 4.446 -4.729 0.560 1.00 0.00 C ATOM 1006 CG LEU B 11 5.511 -3.852 1.226 1.00 0.00 C ATOM 1007 CD1 LEU B 11 4.943 -2.950 2.324 1.00 0.00 C ATOM 1008 CD2 LEU B 11 6.602 -4.723 1.851 1.00 0.00 C ATOM 0 H LEU B 11 4.057 -5.639 -1.614 1.00 0.00 H new ATOM 0 HA LEU B 11 2.529 -3.903 0.090 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.850 -5.195 1.344 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.952 -5.532 0.024 1.00 0.00 H new ATOM 0 HG LEU B 11 5.915 -3.220 0.435 1.00 0.00 H new ATOM 0 HD11 LEU B 11 5.746 -2.354 2.757 1.00 0.00 H new ATOM 0 HD12 LEU B 11 4.189 -2.288 1.897 1.00 0.00 H new ATOM 0 HD13 LEU B 11 4.488 -3.565 3.101 1.00 0.00 H new ATOM 0 HD21 LEU B 11 7.352 -4.086 2.320 1.00 0.00 H new ATOM 0 HD22 LEU B 11 6.160 -5.377 2.602 1.00 0.00 H new ATOM 0 HD23 LEU B 11 7.073 -5.328 1.076 1.00 0.00 H new ATOM 1020 N GLN B 12 4.673 -2.424 -1.828 1.00 0.00 N ATOM 1021 CA GLN B 12 5.056 -1.154 -2.434 1.00 0.00 C ATOM 1022 C GLN B 12 3.882 -0.446 -3.135 1.00 0.00 C ATOM 1023 O GLN B 12 3.945 0.761 -3.361 1.00 0.00 O ATOM 1024 CB GLN B 12 6.242 -1.371 -3.401 1.00 0.00 C ATOM 1025 CG GLN B 12 7.521 -0.631 -2.960 1.00 0.00 C ATOM 1026 CD GLN B 12 8.227 0.081 -4.115 1.00 0.00 C ATOM 1027 OE1 GLN B 12 8.545 -0.493 -5.149 1.00 0.00 O ATOM 1028 NE2 GLN B 12 8.500 1.365 -3.988 1.00 0.00 N ATOM 0 H GLN B 12 5.128 -3.222 -2.271 1.00 0.00 H new ATOM 0 HA GLN B 12 5.367 -0.487 -1.630 1.00 0.00 H new ATOM 0 HB2 GLN B 12 6.453 -2.438 -3.475 1.00 0.00 H new ATOM 0 HB3 GLN B 12 5.958 -1.032 -4.397 1.00 0.00 H new ATOM 0 HG2 GLN B 12 7.265 0.099 -2.192 1.00 0.00 H new ATOM 0 HG3 GLN B 12 8.209 -1.344 -2.505 1.00 0.00 H new ATOM 0 HE21 GLN B 12 8.242 1.859 -3.134 1.00 0.00 H new ATOM 0 HE22 GLN B 12 8.969 1.864 -4.744 1.00 0.00 H new ATOM 1037 N GLY B 13 2.799 -1.173 -3.435 1.00 0.00 N ATOM 1038 CA GLY B 13 1.528 -0.643 -3.927 1.00 0.00 C ATOM 1039 C GLY B 13 0.534 -0.375 -2.794 1.00 0.00 C ATOM 1040 O GLY B 13 -0.062 0.700 -2.778 1.00 0.00 O ATOM 0 H GLY B 13 2.787 -2.188 -3.336 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.710 0.282 -4.474 1.00 0.00 H new ATOM 0 HA3 GLY B 13 1.090 -1.350 -4.632 1.00 0.00 H new ATOM 1044 N ILE B 14 0.410 -1.276 -1.802 1.00 0.00 N ATOM 1045 CA ILE B 14 -0.515 -1.112 -0.650 1.00 0.00 C ATOM 1046 C ILE B 14 -0.316 0.269 0.001 1.00 0.00 C ATOM 1047 O ILE B 14 -1.261 1.045 0.157 1.00 0.00 O ATOM 1048 CB ILE B 14 -0.323 -2.196 0.440 1.00 0.00 C ATOM 1049 CG1 ILE B 14 -0.657 -3.605 -0.074 1.00 0.00 C ATOM 1050 CG2 ILE B 14 -1.225 -1.902 1.661 1.00 0.00 C ATOM 1051 CD1 ILE B 14 -0.279 -4.734 0.889 1.00 0.00 C ATOM 0 H ILE B 14 0.947 -2.143 -1.771 1.00 0.00 H new ATOM 0 HA ILE B 14 -1.522 -1.212 -1.054 1.00 0.00 H new ATOM 0 HB ILE B 14 0.729 -2.165 0.723 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -1.726 -3.660 -0.278 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.143 -3.764 -1.022 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -1.077 -2.673 2.417 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -0.965 -0.930 2.079 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -2.269 -1.895 1.349 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -0.549 -5.694 0.448 1.00 0.00 H new ATOM 0 HD12 ILE B 14 0.795 -4.709 1.075 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -0.813 -4.604 1.830 1.00 0.00 H new ATOM 1063 N LYS B 15 0.937 0.585 0.369 1.00 0.00 N ATOM 1064 CA LYS B 15 1.306 1.830 1.057 1.00 0.00 C ATOM 1065 C LYS B 15 1.158 3.078 0.179 1.00 0.00 C ATOM 1066 O LYS B 15 0.871 4.164 0.681 1.00 0.00 O ATOM 1067 CB LYS B 15 2.737 1.715 1.628 1.00 0.00 C ATOM 1068 CG LYS B 15 2.717 1.815 3.160 1.00 0.00 C ATOM 1069 CD LYS B 15 4.133 1.779 3.750 1.00 0.00 C ATOM 1070 CE LYS B 15 4.062 1.919 5.276 1.00 0.00 C ATOM 1071 NZ LYS B 15 5.415 1.984 5.886 1.00 0.00 N ATOM 0 H LYS B 15 1.733 -0.028 0.193 1.00 0.00 H new ATOM 0 HA LYS B 15 0.600 1.961 1.877 1.00 0.00 H new ATOM 0 HB2 LYS B 15 3.180 0.766 1.326 1.00 0.00 H new ATOM 0 HB3 LYS B 15 3.364 2.505 1.215 1.00 0.00 H new ATOM 0 HG2 LYS B 15 2.222 2.739 3.458 1.00 0.00 H new ATOM 0 HG3 LYS B 15 2.131 0.993 3.571 1.00 0.00 H new ATOM 0 HD2 LYS B 15 4.624 0.843 3.484 1.00 0.00 H new ATOM 0 HD3 LYS B 15 4.733 2.585 3.329 1.00 0.00 H new ATOM 0 HE2 LYS B 15 3.503 2.819 5.533 1.00 0.00 H new ATOM 0 HE3 LYS B 15 3.515 1.074 5.694 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 5.326 2.078 6.918 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 5.939 1.114 5.662 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 5.928 2.805 5.506 1.00 0.00 H new ATOM 1085 N GLN B 16 1.316 2.913 -1.135 1.00 0.00 N ATOM 1086 CA GLN B 16 1.185 3.975 -2.133 1.00 0.00 C ATOM 1087 C GLN B 16 -0.266 4.372 -2.390 1.00 0.00 C ATOM 1088 O GLN B 16 -0.576 5.558 -2.523 1.00 0.00 O ATOM 1089 CB GLN B 16 1.872 3.533 -3.433 1.00 0.00 C ATOM 1090 CG GLN B 16 3.300 4.098 -3.547 1.00 0.00 C ATOM 1091 CD GLN B 16 3.363 5.213 -4.579 1.00 0.00 C ATOM 1092 OE1 GLN B 16 3.425 6.397 -4.280 1.00 0.00 O ATOM 1093 NE2 GLN B 16 3.310 4.857 -5.841 1.00 0.00 N ATOM 0 H GLN B 16 1.546 2.008 -1.547 1.00 0.00 H new ATOM 0 HA GLN B 16 1.674 4.866 -1.739 1.00 0.00 H new ATOM 0 HB2 GLN B 16 1.908 2.444 -3.473 1.00 0.00 H new ATOM 0 HB3 GLN B 16 1.281 3.864 -4.287 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.624 4.476 -2.577 1.00 0.00 H new ATOM 0 HG3 GLN B 16 3.989 3.301 -3.825 1.00 0.00 H new ATOM 0 HE21 GLN B 16 3.258 3.869 -6.091 1.00 0.00 H new ATOM 0 HE22 GLN B 16 3.321 5.568 -6.572 1.00 0.00 H new ATOM 1102 N TYR B 17 -1.170 3.396 -2.370 1.00 0.00 N ATOM 1103 CA TYR B 17 -2.600 3.633 -2.502 1.00 0.00 C ATOM 1104 C TYR B 17 -3.159 4.576 -1.436 1.00 0.00 C ATOM 1105 O TYR B 17 -4.063 5.369 -1.714 1.00 0.00 O ATOM 1106 CB TYR B 17 -3.332 2.288 -2.475 1.00 0.00 C ATOM 1107 CG TYR B 17 -3.336 1.585 -3.819 1.00 0.00 C ATOM 1108 CD1 TYR B 17 -3.789 2.276 -4.959 1.00 0.00 C ATOM 1109 CD2 TYR B 17 -2.866 0.263 -3.942 1.00 0.00 C ATOM 1110 CE1 TYR B 17 -3.745 1.662 -6.218 1.00 0.00 C ATOM 1111 CE2 TYR B 17 -2.837 -0.364 -5.204 1.00 0.00 C ATOM 1112 CZ TYR B 17 -3.284 0.335 -6.345 1.00 0.00 C ATOM 1113 OH TYR B 17 -3.389 -0.294 -7.544 1.00 0.00 O ATOM 0 H TYR B 17 -0.926 2.412 -2.261 1.00 0.00 H new ATOM 0 HA TYR B 17 -2.764 4.135 -3.455 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -2.862 1.640 -1.735 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -4.361 2.448 -2.152 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -4.171 3.282 -4.863 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -2.527 -0.272 -3.067 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -4.065 2.207 -7.094 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.474 -1.377 -5.297 1.00 0.00 H new ATOM 0 HH TYR B 17 -3.303 -1.262 -7.414 1.00 0.00 H new ATOM 1123 N ARG B 18 -2.590 4.528 -0.227 1.00 0.00 N ATOM 1124 CA ARG B 18 -3.030 5.362 0.896 1.00 0.00 C ATOM 1125 C ARG B 18 -2.615 6.841 0.790 1.00 0.00 C ATOM 1126 O ARG B 18 -3.297 7.689 1.364 1.00 0.00 O ATOM 1127 CB ARG B 18 -2.610 4.697 2.221 1.00 0.00 C ATOM 1128 CG ARG B 18 -3.838 4.187 3.000 1.00 0.00 C ATOM 1129 CD ARG B 18 -3.512 3.057 3.985 1.00 0.00 C ATOM 1130 NE ARG B 18 -2.521 3.450 5.006 1.00 0.00 N ATOM 1131 CZ ARG B 18 -2.099 2.697 6.007 1.00 0.00 C ATOM 1132 NH1 ARG B 18 -2.551 1.490 6.208 1.00 0.00 N ATOM 1133 NH2 ARG B 18 -1.201 3.146 6.836 1.00 0.00 N ATOM 0 H ARG B 18 -1.811 3.910 0.000 1.00 0.00 H new ATOM 0 HA ARG B 18 -4.118 5.413 0.863 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -1.935 3.866 2.016 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -2.059 5.412 2.832 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -4.282 5.018 3.547 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -4.588 3.835 2.291 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -4.429 2.738 4.480 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -3.134 2.198 3.431 1.00 0.00 H new ATOM 0 HE ARG B 18 -2.126 4.388 4.932 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -3.254 1.098 5.582 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -2.201 0.938 6.992 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -0.819 4.084 6.715 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -0.880 2.560 7.606 1.00 0.00 H new ATOM 1147 N GLU B 19 -1.582 7.181 0.010 1.00 0.00 N ATOM 1148 CA GLU B 19 -1.312 8.573 -0.404 1.00 0.00 C ATOM 1149 C GLU B 19 -2.179 8.988 -1.605 1.00 0.00 C ATOM 1150 O GLU B 19 -2.581 10.146 -1.720 1.00 0.00 O ATOM 1151 CB GLU B 19 0.163 8.749 -0.825 1.00 0.00 C ATOM 1152 CG GLU B 19 0.979 9.662 0.097 1.00 0.00 C ATOM 1153 CD GLU B 19 1.482 8.925 1.352 1.00 0.00 C ATOM 1154 OE1 GLU B 19 2.605 8.363 1.317 1.00 0.00 O ATOM 1155 OE2 GLU B 19 0.775 8.927 2.388 1.00 0.00 O ATOM 0 H GLU B 19 -0.909 6.506 -0.353 1.00 0.00 H new ATOM 0 HA GLU B 19 -1.545 9.197 0.459 1.00 0.00 H new ATOM 0 HB2 GLU B 19 0.638 7.769 -0.859 1.00 0.00 H new ATOM 0 HB3 GLU B 19 0.194 9.153 -1.837 1.00 0.00 H new ATOM 0 HG2 GLU B 19 1.831 10.062 -0.453 1.00 0.00 H new ATOM 0 HG3 GLU B 19 0.366 10.512 0.398 1.00 0.00 H new ATOM 1162 N ALA B 20 -2.453 8.058 -2.523 1.00 0.00 N ATOM 1163 CA ALA B 20 -3.130 8.355 -3.779 1.00 0.00 C ATOM 1164 C ALA B 20 -4.588 8.802 -3.577 1.00 0.00 C ATOM 1165 O ALA B 20 -5.051 9.679 -4.310 1.00 0.00 O ATOM 1166 CB ALA B 20 -2.999 7.141 -4.704 1.00 0.00 C ATOM 0 H ALA B 20 -2.209 7.074 -2.411 1.00 0.00 H new ATOM 0 HA ALA B 20 -2.648 9.211 -4.251 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -3.501 7.348 -5.649 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -1.944 6.938 -4.890 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -3.458 6.273 -4.232 1.00 0.00 H new ATOM 1172 N LEU B 21 -5.304 8.283 -2.566 1.00 0.00 N ATOM 1173 CA LEU B 21 -6.649 8.775 -2.218 1.00 0.00 C ATOM 1174 C LEU B 21 -6.628 10.190 -1.632 1.00 0.00 C ATOM 1175 O LEU B 21 -7.570 10.942 -1.866 1.00 0.00 O ATOM 1176 CB LEU B 21 -7.391 7.768 -1.323 1.00 0.00 C ATOM 1177 CG LEU B 21 -8.921 7.981 -1.232 1.00 0.00 C ATOM 1178 CD1 LEU B 21 -9.647 6.652 -1.022 1.00 0.00 C ATOM 1179 CD2 LEU B 21 -9.351 8.866 -0.056 1.00 0.00 C ATOM 0 H LEU B 21 -4.974 7.521 -1.974 1.00 0.00 H new ATOM 0 HA LEU B 21 -7.215 8.857 -3.146 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -7.201 6.762 -1.697 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -6.971 7.819 -0.318 1.00 0.00 H new ATOM 0 HG LEU B 21 -9.181 8.461 -2.176 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -10.721 6.830 -0.961 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -9.436 5.986 -1.859 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -9.303 6.192 -0.096 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -10.436 8.970 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -9.031 8.408 0.880 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -8.892 9.850 -0.154 1.00 0.00 H new ATOM 1191 N GLU B 22 -5.554 10.607 -0.954 1.00 0.00 N ATOM 1192 CA GLU B 22 -5.431 11.999 -0.480 1.00 0.00 C ATOM 1193 C GLU B 22 -5.470 13.026 -1.629 1.00 0.00 C ATOM 1194 O GLU B 22 -5.947 14.147 -1.440 1.00 0.00 O ATOM 1195 CB GLU B 22 -4.170 12.192 0.386 1.00 0.00 C ATOM 1196 CG GLU B 22 -4.462 12.294 1.895 1.00 0.00 C ATOM 1197 CD GLU B 22 -3.765 13.520 2.521 1.00 0.00 C ATOM 1198 OE1 GLU B 22 -4.349 14.631 2.492 1.00 0.00 O ATOM 1199 OE2 GLU B 22 -2.636 13.383 3.052 1.00 0.00 O ATOM 0 H GLU B 22 -4.761 10.010 -0.720 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.306 12.186 0.143 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -3.490 11.358 0.213 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -3.654 13.096 0.063 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -5.538 12.364 2.055 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -4.124 11.386 2.395 1.00 0.00 H new ATOM 1206 N TYR B 23 -5.038 12.627 -2.830 1.00 0.00 N ATOM 1207 CA TYR B 23 -5.257 13.350 -4.085 1.00 0.00 C ATOM 1208 C TYR B 23 -6.610 13.041 -4.755 1.00 0.00 C ATOM 1209 O TYR B 23 -7.411 13.950 -4.981 1.00 0.00 O ATOM 1210 CB TYR B 23 -4.097 13.032 -5.046 1.00 0.00 C ATOM 1211 CG TYR B 23 -3.045 14.117 -5.026 1.00 0.00 C ATOM 1212 CD1 TYR B 23 -3.239 15.263 -5.819 1.00 0.00 C ATOM 1213 CD2 TYR B 23 -1.930 14.022 -4.172 1.00 0.00 C ATOM 1214 CE1 TYR B 23 -2.320 16.323 -5.751 1.00 0.00 C ATOM 1215 CE2 TYR B 23 -1.007 15.083 -4.102 1.00 0.00 C ATOM 1216 CZ TYR B 23 -1.206 16.244 -4.888 1.00 0.00 C ATOM 1217 OH TYR B 23 -0.343 17.294 -4.815 1.00 0.00 O ATOM 0 H TYR B 23 -4.509 11.764 -2.958 1.00 0.00 H new ATOM 0 HA TYR B 23 -5.287 14.413 -3.846 1.00 0.00 H new ATOM 0 HB2 TYR B 23 -3.644 12.080 -4.768 1.00 0.00 H new ATOM 0 HB3 TYR B 23 -4.484 12.918 -6.059 1.00 0.00 H new ATOM 0 HD1 TYR B 23 -4.092 15.327 -6.478 1.00 0.00 H new ATOM 0 HD2 TYR B 23 -1.783 13.137 -3.571 1.00 0.00 H new ATOM 0 HE1 TYR B 23 -2.466 17.202 -6.361 1.00 0.00 H new ATOM 0 HE2 TYR B 23 -0.149 15.012 -3.450 1.00 0.00 H new ATOM 0 HH TYR B 23 0.371 17.087 -4.176 1.00 0.00 H new ATOM 1227 N THR B 24 -6.866 11.776 -5.097 1.00 0.00 N ATOM 1228 CA THR B 24 -7.985 11.365 -5.978 1.00 0.00 C ATOM 1229 C THR B 24 -9.363 11.382 -5.309 1.00 0.00 C ATOM 1230 O THR B 24 -10.356 11.642 -5.985 1.00 0.00 O ATOM 1231 CB THR B 24 -7.758 9.964 -6.559 1.00 0.00 C ATOM 1232 OG1 THR B 24 -7.484 9.079 -5.511 1.00 0.00 O ATOM 1233 CG2 THR B 24 -6.594 9.887 -7.545 1.00 0.00 C ATOM 0 H THR B 24 -6.301 10.992 -4.771 1.00 0.00 H new ATOM 0 HA THR B 24 -7.989 12.119 -6.765 1.00 0.00 H new ATOM 0 HB THR B 24 -8.668 9.705 -7.101 1.00 0.00 H new ATOM 0 HG1 THR B 24 -6.565 9.215 -5.199 1.00 0.00 H new ATOM 0 HG21 THR B 24 -6.496 8.866 -7.913 1.00 0.00 H new ATOM 0 HG22 THR B 24 -6.782 10.558 -8.383 1.00 0.00 H new ATOM 0 HG23 THR B 24 -5.672 10.182 -7.044 1.00 0.00 H new ATOM 1241 N HIS B 25 -9.440 11.162 -3.990 1.00 0.00 N ATOM 1242 CA HIS B 25 -10.667 11.153 -3.170 1.00 0.00 C ATOM 1243 C HIS B 25 -11.836 10.286 -3.731 1.00 0.00 C ATOM 1244 O HIS B 25 -12.987 10.728 -3.753 1.00 0.00 O ATOM 1245 CB HIS B 25 -11.046 12.607 -2.805 1.00 0.00 C ATOM 1246 CG HIS B 25 -10.315 13.086 -1.576 1.00 0.00 C ATOM 1247 ND1 HIS B 25 -10.729 12.903 -0.267 1.00 0.00 N ATOM 1248 CD2 HIS B 25 -9.107 13.723 -1.544 1.00 0.00 C ATOM 1249 CE1 HIS B 25 -9.787 13.419 0.547 1.00 0.00 C ATOM 1250 NE2 HIS B 25 -8.793 13.928 -0.211 1.00 0.00 N ATOM 0 H HIS B 25 -8.606 10.975 -3.433 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.445 10.621 -2.245 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -10.816 13.264 -3.644 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -12.121 12.671 -2.636 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -8.510 14.012 -2.396 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.822 13.424 1.626 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -7.952 14.387 0.139 1.00 0.00 H new ATOM 1259 N ASN B 26 -11.570 9.046 -4.176 1.00 0.00 N ATOM 1260 CA ASN B 26 -12.560 8.149 -4.820 1.00 0.00 C ATOM 1261 C ASN B 26 -12.662 6.747 -4.163 1.00 0.00 C ATOM 1262 O ASN B 26 -11.645 6.195 -3.734 1.00 0.00 O ATOM 1263 CB ASN B 26 -12.254 8.077 -6.335 1.00 0.00 C ATOM 1264 CG ASN B 26 -13.028 9.115 -7.139 1.00 0.00 C ATOM 1265 OD1 ASN B 26 -14.116 8.736 -7.774 1.00 0.00 O flip ATOM 1266 ND2 ASN B 26 -12.683 10.282 -7.211 1.00 0.00 N flip ATOM 0 H ASN B 26 -10.644 8.626 -4.099 1.00 0.00 H new ATOM 0 HA ASN B 26 -13.551 8.577 -4.669 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -11.185 8.223 -6.493 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -12.498 7.081 -6.704 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -11.842 10.596 -6.726 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -13.235 10.944 -7.756 1.00 0.00 H new ATOM 1273 N PRO B 27 -13.870 6.127 -4.135 1.00 0.00 N ATOM 1274 CA PRO B 27 -14.129 4.829 -3.483 1.00 0.00 C ATOM 1275 C PRO B 27 -13.411 3.656 -4.158 1.00 0.00 C ATOM 1276 O PRO B 27 -13.190 2.603 -3.558 1.00 0.00 O ATOM 1277 CB PRO B 27 -15.651 4.625 -3.560 1.00 0.00 C ATOM 1278 CG PRO B 27 -16.058 5.428 -4.794 1.00 0.00 C ATOM 1279 CD PRO B 27 -15.108 6.620 -4.735 1.00 0.00 C ATOM 0 HA PRO B 27 -13.750 4.849 -2.461 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -15.910 3.571 -3.664 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -16.150 4.989 -2.662 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -15.933 4.854 -5.712 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -17.102 5.738 -4.751 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -14.924 7.021 -5.732 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.534 7.428 -4.140 1.00 0.00 H new ATOM 1287 N VAL B 28 -13.028 3.838 -5.418 1.00 0.00 N ATOM 1288 CA VAL B 28 -12.305 2.834 -6.204 1.00 0.00 C ATOM 1289 C VAL B 28 -10.926 2.517 -5.618 1.00 0.00 C ATOM 1290 O VAL B 28 -10.586 1.344 -5.465 1.00 0.00 O ATOM 1291 CB VAL B 28 -12.254 3.320 -7.656 1.00 0.00 C ATOM 1292 CG1 VAL B 28 -11.223 4.420 -7.870 1.00 0.00 C ATOM 1293 CG2 VAL B 28 -12.015 2.200 -8.653 1.00 0.00 C ATOM 0 H VAL B 28 -13.212 4.699 -5.933 1.00 0.00 H new ATOM 0 HA VAL B 28 -12.833 1.881 -6.169 1.00 0.00 H new ATOM 0 HB VAL B 28 -13.246 3.732 -7.842 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -11.230 4.726 -8.916 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -11.467 5.275 -7.240 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -10.233 4.047 -7.608 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -11.990 2.611 -9.662 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -11.063 1.715 -8.435 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -12.820 1.469 -8.579 1.00 0.00 H new ATOM 1303 N LEU B 29 -10.171 3.537 -5.186 1.00 0.00 N ATOM 1304 CA LEU B 29 -8.894 3.353 -4.505 1.00 0.00 C ATOM 1305 C LEU B 29 -9.087 2.671 -3.150 1.00 0.00 C ATOM 1306 O LEU B 29 -8.267 1.836 -2.783 1.00 0.00 O ATOM 1307 CB LEU B 29 -8.168 4.691 -4.312 1.00 0.00 C ATOM 1308 CG LEU B 29 -7.500 5.254 -5.576 1.00 0.00 C ATOM 1309 CD1 LEU B 29 -8.416 6.239 -6.295 1.00 0.00 C ATOM 1310 CD2 LEU B 29 -6.217 5.984 -5.199 1.00 0.00 C ATOM 0 H LEU B 29 -10.436 4.515 -5.303 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.280 2.712 -5.138 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -8.883 5.425 -3.939 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -7.407 4.567 -3.541 1.00 0.00 H new ATOM 0 HG LEU B 29 -7.286 4.415 -6.238 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -7.914 6.619 -7.185 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -9.337 5.734 -6.586 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -8.652 7.069 -5.629 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -5.747 6.381 -6.098 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -6.451 6.803 -4.519 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.534 5.290 -4.709 1.00 0.00 H new ATOM 1322 N ALA B 30 -10.181 2.965 -2.437 1.00 0.00 N ATOM 1323 CA ALA B 30 -10.527 2.254 -1.209 1.00 0.00 C ATOM 1324 C ALA B 30 -10.711 0.746 -1.464 1.00 0.00 C ATOM 1325 O ALA B 30 -10.097 -0.055 -0.768 1.00 0.00 O ATOM 1326 CB ALA B 30 -11.758 2.896 -0.555 1.00 0.00 C ATOM 0 H ALA B 30 -10.843 3.696 -2.695 1.00 0.00 H new ATOM 0 HA ALA B 30 -9.698 2.343 -0.507 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -12.007 2.358 0.360 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -11.541 3.937 -0.316 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -12.602 2.850 -1.244 1.00 0.00 H new ATOM 1332 N LYS B 31 -11.468 0.338 -2.494 1.00 0.00 N ATOM 1333 CA LYS B 31 -11.656 -1.080 -2.869 1.00 0.00 C ATOM 1334 C LYS B 31 -10.363 -1.752 -3.340 1.00 0.00 C ATOM 1335 O LYS B 31 -10.039 -2.847 -2.890 1.00 0.00 O ATOM 1336 CB LYS B 31 -12.783 -1.181 -3.926 1.00 0.00 C ATOM 1337 CG LYS B 31 -13.790 -2.308 -3.642 1.00 0.00 C ATOM 1338 CD LYS B 31 -13.256 -3.711 -3.966 1.00 0.00 C ATOM 1339 CE LYS B 31 -14.226 -4.820 -3.538 1.00 0.00 C ATOM 1340 NZ LYS B 31 -14.244 -5.001 -2.061 1.00 0.00 N ATOM 0 H LYS B 31 -11.973 0.986 -3.098 1.00 0.00 H new ATOM 0 HA LYS B 31 -11.951 -1.631 -1.976 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -13.316 -0.231 -3.970 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -12.337 -1.342 -4.907 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -14.075 -2.272 -2.591 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -14.694 -2.130 -4.224 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -13.071 -3.788 -5.037 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -12.299 -3.857 -3.466 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -15.230 -4.579 -3.887 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -13.940 -5.757 -4.015 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -14.873 -5.793 -1.816 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -13.282 -5.206 -1.725 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -14.591 -4.131 -1.609 1.00 0.00 H new ATOM 1354 N ILE B 32 -9.584 -1.057 -4.168 1.00 0.00 N ATOM 1355 CA ILE B 32 -8.271 -1.491 -4.667 1.00 0.00 C ATOM 1356 C ILE B 32 -7.349 -1.758 -3.482 1.00 0.00 C ATOM 1357 O ILE B 32 -6.951 -2.901 -3.271 1.00 0.00 O ATOM 1358 CB ILE B 32 -7.722 -0.449 -5.659 1.00 0.00 C ATOM 1359 CG1 ILE B 32 -8.337 -0.653 -7.059 1.00 0.00 C ATOM 1360 CG2 ILE B 32 -6.202 -0.533 -5.808 1.00 0.00 C ATOM 1361 CD1 ILE B 32 -8.339 0.637 -7.886 1.00 0.00 C ATOM 0 H ILE B 32 -9.856 -0.141 -4.526 1.00 0.00 H new ATOM 0 HA ILE B 32 -8.351 -2.426 -5.221 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.991 0.526 -5.252 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -7.777 -1.422 -7.591 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.359 -1.017 -6.955 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.864 0.222 -6.518 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.731 -0.358 -4.841 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.926 -1.523 -6.172 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -8.782 0.442 -8.863 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.922 1.400 -7.369 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -7.315 0.988 -8.015 1.00 0.00 H new ATOM 1373 N LEU B 33 -7.074 -0.734 -2.671 1.00 0.00 N ATOM 1374 CA LEU B 33 -6.156 -0.833 -1.539 1.00 0.00 C ATOM 1375 C LEU B 33 -6.653 -1.780 -0.459 1.00 0.00 C ATOM 1376 O LEU B 33 -5.844 -2.435 0.197 1.00 0.00 O ATOM 1377 CB LEU B 33 -5.771 0.566 -1.045 1.00 0.00 C ATOM 1378 CG LEU B 33 -6.553 1.242 0.091 1.00 0.00 C ATOM 1379 CD1 LEU B 33 -6.128 0.777 1.489 1.00 0.00 C ATOM 1380 CD2 LEU B 33 -6.351 2.759 0.048 1.00 0.00 C ATOM 0 H LEU B 33 -7.486 0.192 -2.784 1.00 0.00 H new ATOM 0 HA LEU B 33 -5.232 -1.302 -1.877 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -4.728 0.519 -0.732 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -5.816 1.233 -1.906 1.00 0.00 H new ATOM 0 HG LEU B 33 -7.594 0.962 -0.072 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -6.722 1.296 2.241 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -6.287 -0.298 1.579 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.072 1.002 1.642 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.911 3.224 0.859 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -5.291 2.988 0.161 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -6.706 3.146 -0.907 1.00 0.00 H new ATOM 1392 N GLU B 34 -7.974 -1.897 -0.317 1.00 0.00 N ATOM 1393 CA GLU B 34 -8.559 -2.886 0.577 1.00 0.00 C ATOM 1394 C GLU B 34 -8.238 -4.305 0.104 1.00 0.00 C ATOM 1395 O GLU B 34 -7.854 -5.129 0.928 1.00 0.00 O ATOM 1396 CB GLU B 34 -10.065 -2.662 0.769 1.00 0.00 C ATOM 1397 CG GLU B 34 -10.680 -3.670 1.746 1.00 0.00 C ATOM 1398 CD GLU B 34 -12.095 -3.227 2.165 1.00 0.00 C ATOM 1399 OE1 GLU B 34 -12.230 -2.493 3.175 1.00 0.00 O ATOM 1400 OE2 GLU B 34 -13.081 -3.621 1.495 1.00 0.00 O ATOM 0 H GLU B 34 -8.654 -1.319 -0.810 1.00 0.00 H new ATOM 0 HA GLU B 34 -8.104 -2.760 1.559 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -10.236 -1.651 1.137 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -10.568 -2.739 -0.195 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -10.724 -4.655 1.281 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -10.046 -3.763 2.628 1.00 0.00 H new ATOM 1407 N ASP B 35 -8.315 -4.597 -1.200 1.00 0.00 N ATOM 1408 CA ASP B 35 -7.970 -5.923 -1.710 1.00 0.00 C ATOM 1409 C ASP B 35 -6.473 -6.252 -1.607 1.00 0.00 C ATOM 1410 O ASP B 35 -6.117 -7.332 -1.127 1.00 0.00 O ATOM 1411 CB ASP B 35 -8.409 -6.093 -3.166 1.00 0.00 C ATOM 1412 CG ASP B 35 -9.892 -5.864 -3.506 1.00 0.00 C ATOM 1413 OD1 ASP B 35 -10.778 -6.149 -2.660 1.00 0.00 O ATOM 1414 OD2 ASP B 35 -10.152 -5.459 -4.668 1.00 0.00 O ATOM 0 H ASP B 35 -8.612 -3.934 -1.916 1.00 0.00 H new ATOM 0 HA ASP B 35 -8.511 -6.619 -1.069 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -7.818 -5.409 -3.775 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -8.148 -7.104 -3.477 1.00 0.00 H new ATOM 1419 N GLU B 36 -5.573 -5.331 -1.978 1.00 0.00 N ATOM 1420 CA GLU B 36 -4.126 -5.526 -1.813 1.00 0.00 C ATOM 1421 C GLU B 36 -3.731 -5.830 -0.362 1.00 0.00 C ATOM 1422 O GLU B 36 -2.739 -6.521 -0.131 1.00 0.00 O ATOM 1423 CB GLU B 36 -3.358 -4.269 -2.244 1.00 0.00 C ATOM 1424 CG GLU B 36 -3.672 -3.630 -3.591 1.00 0.00 C ATOM 1425 CD GLU B 36 -3.410 -4.494 -4.809 1.00 0.00 C ATOM 1426 OE1 GLU B 36 -2.980 -5.667 -4.725 1.00 0.00 O ATOM 1427 OE2 GLU B 36 -3.657 -4.028 -5.943 1.00 0.00 O ATOM 0 H GLU B 36 -5.825 -4.436 -2.398 1.00 0.00 H new ATOM 0 HA GLU B 36 -3.869 -6.380 -2.439 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -3.514 -3.510 -1.477 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -2.296 -4.515 -2.238 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -4.722 -3.336 -3.596 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -3.085 -2.716 -3.684 1.00 0.00 H new ATOM 1434 N GLU B 37 -4.520 -5.368 0.615 1.00 0.00 N ATOM 1435 CA GLU B 37 -4.247 -5.596 2.041 1.00 0.00 C ATOM 1436 C GLU B 37 -4.319 -7.093 2.394 1.00 0.00 C ATOM 1437 O GLU B 37 -3.642 -7.558 3.315 1.00 0.00 O ATOM 1438 CB GLU B 37 -5.245 -4.793 2.892 1.00 0.00 C ATOM 1439 CG GLU B 37 -4.818 -4.580 4.350 1.00 0.00 C ATOM 1440 CD GLU B 37 -3.631 -3.605 4.484 1.00 0.00 C ATOM 1441 OE1 GLU B 37 -3.857 -2.369 4.500 1.00 0.00 O ATOM 1442 OE2 GLU B 37 -2.472 -4.068 4.613 1.00 0.00 O ATOM 0 H GLU B 37 -5.366 -4.825 0.441 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.234 -5.257 2.257 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -5.398 -3.819 2.426 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -6.207 -5.306 2.881 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -5.664 -4.197 4.920 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -4.546 -5.540 4.789 1.00 0.00 H new ATOM 1449 N LYS B 38 -5.108 -7.857 1.622 1.00 0.00 N ATOM 1450 CA LYS B 38 -5.198 -9.316 1.718 1.00 0.00 C ATOM 1451 C LYS B 38 -4.215 -10.017 0.802 1.00 0.00 C ATOM 1452 O LYS B 38 -3.598 -10.975 1.244 1.00 0.00 O ATOM 1453 CB LYS B 38 -6.599 -9.838 1.373 1.00 0.00 C ATOM 1454 CG LYS B 38 -7.719 -9.252 2.232 1.00 0.00 C ATOM 1455 CD LYS B 38 -8.400 -8.045 1.581 1.00 0.00 C ATOM 1456 CE LYS B 38 -9.661 -8.431 0.801 1.00 0.00 C ATOM 1457 NZ LYS B 38 -10.854 -8.486 1.690 1.00 0.00 N ATOM 0 H LYS B 38 -5.712 -7.466 0.900 1.00 0.00 H new ATOM 0 HA LYS B 38 -4.962 -9.541 2.758 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -6.808 -9.619 0.326 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -6.606 -10.923 1.479 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -8.465 -10.024 2.424 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -7.311 -8.955 3.198 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -8.662 -7.320 2.352 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -7.697 -7.555 0.908 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -9.833 -7.708 0.003 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -9.514 -9.401 0.326 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -11.691 -8.750 1.132 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -10.698 -9.193 2.436 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -11.007 -7.553 2.124 1.00 0.00 H new ATOM 1471 N HIS B 39 -4.062 -9.561 -0.445 1.00 0.00 N ATOM 1472 CA HIS B 39 -3.369 -10.242 -1.534 1.00 0.00 C ATOM 1473 C HIS B 39 -2.042 -10.890 -1.144 1.00 0.00 C ATOM 1474 O HIS B 39 -1.831 -12.065 -1.429 1.00 0.00 O ATOM 1475 CB HIS B 39 -3.137 -9.190 -2.606 1.00 0.00 C ATOM 1476 CG HIS B 39 -4.285 -8.893 -3.516 1.00 0.00 C ATOM 1477 ND1 HIS B 39 -4.146 -8.158 -4.691 1.00 0.00 N ATOM 1478 CD2 HIS B 39 -5.592 -9.213 -3.325 1.00 0.00 C ATOM 1479 CE1 HIS B 39 -5.400 -8.034 -5.178 1.00 0.00 C ATOM 1480 NE2 HIS B 39 -6.281 -8.686 -4.396 1.00 0.00 N ATOM 0 H HIS B 39 -4.440 -8.658 -0.733 1.00 0.00 H new ATOM 0 HA HIS B 39 -3.988 -11.074 -1.869 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -2.844 -8.262 -2.114 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -2.292 -9.508 -3.217 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -6.008 -9.770 -2.498 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -5.660 -7.487 -6.072 1.00 0.00 H new ATOM 0 HE2 HIS B 39 -7.283 -8.774 -4.566 1.00 0.00 H new ATOM 1488 N ILE B 40 -1.172 -10.144 -0.465 1.00 0.00 N ATOM 1489 CA ILE B 40 0.148 -10.649 -0.039 1.00 0.00 C ATOM 1490 C ILE B 40 0.033 -11.840 0.918 1.00 0.00 C ATOM 1491 O ILE B 40 0.759 -12.821 0.781 1.00 0.00 O ATOM 1492 CB ILE B 40 0.987 -9.530 0.608 1.00 0.00 C ATOM 1493 CG1 ILE B 40 1.107 -8.359 -0.375 1.00 0.00 C ATOM 1494 CG2 ILE B 40 2.401 -10.014 0.971 1.00 0.00 C ATOM 1495 CD1 ILE B 40 1.952 -7.205 0.156 1.00 0.00 C ATOM 0 H ILE B 40 -1.353 -9.178 -0.192 1.00 0.00 H new ATOM 0 HA ILE B 40 0.654 -10.996 -0.940 1.00 0.00 H new ATOM 0 HB ILE B 40 0.484 -9.222 1.524 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.543 -8.720 -1.307 1.00 0.00 H new ATOM 0 HG13 ILE B 40 0.109 -7.990 -0.612 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.960 -9.196 1.424 1.00 0.00 H new ATOM 0 HG22 ILE B 40 2.332 -10.842 1.677 1.00 0.00 H new ATOM 0 HG23 ILE B 40 2.914 -10.348 0.069 1.00 0.00 H new ATOM 0 HD11 ILE B 40 1.994 -6.412 -0.590 1.00 0.00 H new ATOM 0 HD12 ILE B 40 1.505 -6.818 1.072 1.00 0.00 H new ATOM 0 HD13 ILE B 40 2.961 -7.560 0.366 1.00 0.00 H new ATOM 1507 N GLU B 41 -0.887 -11.780 1.878 1.00 0.00 N ATOM 1508 CA GLU B 41 -1.123 -12.885 2.808 1.00 0.00 C ATOM 1509 C GLU B 41 -1.974 -13.997 2.183 1.00 0.00 C ATOM 1510 O GLU B 41 -1.730 -15.170 2.455 1.00 0.00 O ATOM 1511 CB GLU B 41 -1.722 -12.355 4.123 1.00 0.00 C ATOM 1512 CG GLU B 41 -0.817 -12.741 5.301 1.00 0.00 C ATOM 1513 CD GLU B 41 -1.306 -12.133 6.629 1.00 0.00 C ATOM 1514 OE1 GLU B 41 -2.418 -12.484 7.094 1.00 0.00 O ATOM 1515 OE2 GLU B 41 -0.573 -11.312 7.233 1.00 0.00 O ATOM 0 H GLU B 41 -1.487 -10.970 2.034 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.162 -13.344 3.040 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -1.828 -11.271 4.074 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -2.721 -12.766 4.270 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -0.782 -13.827 5.391 1.00 0.00 H new ATOM 0 HG3 GLU B 41 0.201 -12.405 5.102 1.00 0.00 H new ATOM 1522 N TRP B 42 -2.895 -13.659 1.277 1.00 0.00 N ATOM 1523 CA TRP B 42 -3.602 -14.588 0.395 1.00 0.00 C ATOM 1524 C TRP B 42 -2.618 -15.484 -0.378 1.00 0.00 C ATOM 1525 O TRP B 42 -2.699 -16.707 -0.246 1.00 0.00 O ATOM 1526 CB TRP B 42 -4.552 -13.764 -0.504 1.00 0.00 C ATOM 1527 CG TRP B 42 -5.910 -13.451 0.048 1.00 0.00 C ATOM 1528 CD1 TRP B 42 -6.352 -13.729 1.296 1.00 0.00 C ATOM 1529 CD2 TRP B 42 -7.018 -12.767 -0.620 1.00 0.00 C ATOM 1530 NE1 TRP B 42 -7.666 -13.325 1.427 1.00 0.00 N ATOM 1531 CE2 TRP B 42 -8.123 -12.706 0.283 1.00 0.00 C ATOM 1532 CE3 TRP B 42 -7.193 -12.164 -1.885 1.00 0.00 C ATOM 1533 CZ2 TRP B 42 -9.336 -12.084 -0.051 1.00 0.00 C ATOM 1534 CZ3 TRP B 42 -8.399 -11.523 -2.227 1.00 0.00 C ATOM 1535 CH2 TRP B 42 -9.472 -11.487 -1.317 1.00 0.00 C ATOM 0 H TRP B 42 -3.179 -12.690 1.133 1.00 0.00 H new ATOM 0 HA TRP B 42 -4.209 -15.288 0.970 1.00 0.00 H new ATOM 0 HB2 TRP B 42 -4.059 -12.822 -0.745 1.00 0.00 H new ATOM 0 HB3 TRP B 42 -4.684 -14.303 -1.442 1.00 0.00 H new ATOM 0 HD1 TRP B 42 -5.765 -14.197 2.073 1.00 0.00 H new ATOM 0 HE1 TRP B 42 -8.229 -13.467 2.266 1.00 0.00 H new ATOM 0 HE3 TRP B 42 -6.387 -12.195 -2.603 1.00 0.00 H new ATOM 0 HZ2 TRP B 42 -10.154 -12.064 0.654 1.00 0.00 H new ATOM 0 HZ3 TRP B 42 -8.501 -11.055 -3.195 1.00 0.00 H new ATOM 0 HH2 TRP B 42 -10.398 -11.002 -1.590 1.00 0.00 H new ATOM 1546 N LEU B 43 -1.642 -14.922 -1.106 1.00 0.00 N ATOM 1547 CA LEU B 43 -0.663 -15.730 -1.853 1.00 0.00 C ATOM 1548 C LEU B 43 0.350 -16.489 -0.969 1.00 0.00 C ATOM 1549 O LEU B 43 0.872 -17.521 -1.392 1.00 0.00 O ATOM 1550 CB LEU B 43 -0.032 -14.940 -3.010 1.00 0.00 C ATOM 1551 CG LEU B 43 0.875 -13.782 -2.588 1.00 0.00 C ATOM 1552 CD1 LEU B 43 2.336 -14.090 -2.838 1.00 0.00 C ATOM 1553 CD2 LEU B 43 0.630 -12.523 -3.407 1.00 0.00 C ATOM 0 H LEU B 43 -1.508 -13.915 -1.194 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.231 -16.537 -2.315 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.547 -15.628 -3.626 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.831 -14.545 -3.638 1.00 0.00 H new ATOM 0 HG LEU B 43 0.647 -13.639 -1.532 1.00 0.00 H new ATOM 0 HD11 LEU B 43 2.945 -13.242 -2.525 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.624 -14.974 -2.269 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.492 -14.276 -3.901 1.00 0.00 H new ATOM 0 HD21 LEU B 43 1.299 -11.732 -3.067 1.00 0.00 H new ATOM 0 HD22 LEU B 43 0.820 -12.731 -4.460 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -0.404 -12.202 -3.281 1.00 0.00 H new ATOM 1565 N GLU B 44 0.583 -16.049 0.272 1.00 0.00 N ATOM 1566 CA GLU B 44 1.401 -16.779 1.258 1.00 0.00 C ATOM 1567 C GLU B 44 0.646 -17.949 1.923 1.00 0.00 C ATOM 1568 O GLU B 44 1.223 -19.015 2.119 1.00 0.00 O ATOM 1569 CB GLU B 44 1.916 -15.808 2.341 1.00 0.00 C ATOM 1570 CG GLU B 44 3.433 -15.889 2.550 1.00 0.00 C ATOM 1571 CD GLU B 44 3.896 -17.214 3.184 1.00 0.00 C ATOM 1572 OE1 GLU B 44 3.621 -17.442 4.388 1.00 0.00 O ATOM 1573 OE2 GLU B 44 4.581 -18.009 2.497 1.00 0.00 O ATOM 0 H GLU B 44 0.208 -15.170 0.627 1.00 0.00 H new ATOM 0 HA GLU B 44 2.239 -17.211 0.711 1.00 0.00 H new ATOM 0 HB2 GLU B 44 1.647 -14.789 2.064 1.00 0.00 H new ATOM 0 HB3 GLU B 44 1.413 -16.025 3.284 1.00 0.00 H new ATOM 0 HG2 GLU B 44 3.931 -15.762 1.589 1.00 0.00 H new ATOM 0 HG3 GLU B 44 3.749 -15.062 3.185 1.00 0.00 H new ATOM 1580 N THR B 45 -0.650 -17.783 2.225 1.00 0.00 N ATOM 1581 CA THR B 45 -1.510 -18.782 2.908 1.00 0.00 C ATOM 1582 C THR B 45 -1.579 -20.124 2.164 1.00 0.00 C ATOM 1583 O THR B 45 -1.832 -21.167 2.770 1.00 0.00 O ATOM 1584 CB THR B 45 -2.930 -18.211 3.128 1.00 0.00 C ATOM 1585 OG1 THR B 45 -2.868 -17.086 3.978 1.00 0.00 O ATOM 1586 CG2 THR B 45 -3.917 -19.163 3.808 1.00 0.00 C ATOM 0 H THR B 45 -1.152 -16.925 1.997 1.00 0.00 H new ATOM 0 HA THR B 45 -1.048 -18.985 3.874 1.00 0.00 H new ATOM 0 HB THR B 45 -3.284 -17.995 2.120 1.00 0.00 H new ATOM 0 HG1 THR B 45 -2.722 -16.279 3.442 1.00 0.00 H new ATOM 0 HG21 THR B 45 -4.883 -18.669 3.916 1.00 0.00 H new ATOM 0 HG22 THR B 45 -4.034 -20.060 3.200 1.00 0.00 H new ATOM 0 HG23 THR B 45 -3.538 -19.438 4.792 1.00 0.00 H new ATOM 1594 N ILE B 46 -1.304 -20.119 0.857 1.00 0.00 N ATOM 1595 CA ILE B 46 -1.221 -21.316 0.012 1.00 0.00 C ATOM 1596 C ILE B 46 -0.103 -22.281 0.462 1.00 0.00 C ATOM 1597 O ILE B 46 -0.290 -23.498 0.401 1.00 0.00 O ATOM 1598 CB ILE B 46 -1.020 -20.913 -1.471 1.00 0.00 C ATOM 1599 CG1 ILE B 46 -2.003 -19.803 -1.923 1.00 0.00 C ATOM 1600 CG2 ILE B 46 -1.168 -22.171 -2.340 1.00 0.00 C ATOM 1601 CD1 ILE B 46 -1.856 -19.333 -3.378 1.00 0.00 C ATOM 0 H ILE B 46 -1.128 -19.257 0.341 1.00 0.00 H new ATOM 0 HA ILE B 46 -2.165 -21.850 0.118 1.00 0.00 H new ATOM 0 HB ILE B 46 -0.021 -20.492 -1.587 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -3.021 -20.165 -1.779 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -1.875 -18.941 -1.268 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -1.030 -21.907 -3.389 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -0.417 -22.905 -2.048 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -2.163 -22.595 -2.201 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -2.592 -18.556 -3.586 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -0.854 -18.933 -3.532 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -2.018 -20.175 -4.051 1.00 0.00 H new ATOM 1613 N LEU B 47 1.047 -21.752 0.917 1.00 0.00 N ATOM 1614 CA LEU B 47 2.291 -22.498 1.198 1.00 0.00 C ATOM 1615 C LEU B 47 2.616 -23.582 0.136 1.00 0.00 C ATOM 1616 O LEU B 47 2.904 -24.740 0.454 1.00 0.00 O ATOM 1617 CB LEU B 47 2.277 -23.002 2.661 1.00 0.00 C ATOM 1618 CG LEU B 47 2.549 -21.873 3.683 1.00 0.00 C ATOM 1619 CD1 LEU B 47 1.392 -21.703 4.668 1.00 0.00 C ATOM 1620 CD2 LEU B 47 3.820 -22.157 4.488 1.00 0.00 C ATOM 0 H LEU B 47 1.141 -20.754 1.107 1.00 0.00 H new ATOM 0 HA LEU B 47 3.135 -21.815 1.105 1.00 0.00 H new ATOM 0 HB2 LEU B 47 1.309 -23.456 2.876 1.00 0.00 H new ATOM 0 HB3 LEU B 47 3.028 -23.783 2.779 1.00 0.00 H new ATOM 0 HG LEU B 47 2.666 -20.957 3.103 1.00 0.00 H new ATOM 0 HD11 LEU B 47 1.625 -20.900 5.368 1.00 0.00 H new ATOM 0 HD12 LEU B 47 0.482 -21.456 4.121 1.00 0.00 H new ATOM 0 HD13 LEU B 47 1.243 -22.632 5.218 1.00 0.00 H new ATOM 0 HD21 LEU B 47 3.989 -21.348 5.199 1.00 0.00 H new ATOM 0 HD22 LEU B 47 3.706 -23.097 5.028 1.00 0.00 H new ATOM 0 HD23 LEU B 47 4.671 -22.228 3.811 1.00 0.00 H new ATOM 1632 N GLY B 48 2.539 -23.197 -1.145 1.00 0.00 N ATOM 1633 CA GLY B 48 2.716 -24.073 -2.314 1.00 0.00 C ATOM 1634 C GLY B 48 4.087 -23.941 -2.995 1.00 0.00 C ATOM 1635 O GLY B 48 5.031 -23.367 -2.454 1.00 0.00 O ATOM 0 H GLY B 48 2.344 -22.231 -1.407 1.00 0.00 H new ATOM 0 HA2 GLY B 48 2.575 -25.108 -2.003 1.00 0.00 H new ATOM 0 HA3 GLY B 48 1.937 -23.850 -3.043 1.00 0.00 H new HETATM 1639 N NH2 B 49 4.228 -24.495 -4.191 1.00 0.00 N TER 1642 NH2 B 49 HETATM 1643 ZN ZN A 50 -3.759 -4.316 -7.630 1.00 0.00 ZN HETATM 1644 ZN ZN B 50 -2.412 -7.266 -5.189 1.00 0.00 ZN