USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=15 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 Set 1.1: A 2 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 23 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= -0.0639 X(o=-0.064,f=-0.089) 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=-0.062) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -150:sc= -0.241 USER MOD Single : A 25 HIS : no HD1:sc= 1.15 K(o=1.1,f=-3.6!) USER MOD Single : A 26 ASN : amide:sc= 0.988 K(o=0.99,f=-0.85) USER MOD Single : A 31 LYS NZ :NH3+ 136:sc= 0.149 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 166:sc= 1.44 (180deg=0.378) USER MOD Single : A 45 THR OG1 : rot 74:sc= 0.193 USER MOD Single : B 2 TYR OH : rot -145:sc= 0.00314 USER MOD Single : B 8 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0111) USER MOD Single : B 12 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 17 TYR OH : rot -172:sc= 0.915 USER MOD Single : B 24 THR OG1 : rot -76:sc= 0.608 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=-0.072) USER MOD Single : B 26 ASN : amide:sc=-0.00424 X(o=-0.0042,f=-0.2) USER MOD Single : B 31 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00111) USER MOD Single : B 38 LYS NZ :NH3+ 171:sc= 1.25 (180deg=1.19) USER MOD Single : B 45 THR OG1 : rot 71:sc= 1.17 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 2.756 13.135 -12.113 1.00 0.00 C HETATM 2 O ACE A 0 2.975 13.135 -13.323 1.00 0.00 O HETATM 3 CH3 ACE A 0 1.883 14.201 -11.495 1.00 0.00 C HETATM 0 H1 ACE A 0 1.024 13.734 -11.013 1.00 0.00 H new HETATM 0 H2 ACE A 0 2.457 14.757 -10.754 1.00 0.00 H new HETATM 0 H3 ACE A 0 1.537 14.883 -12.272 1.00 0.00 H new ATOM 7 N ASP A 1 3.240 12.220 -11.276 1.00 0.00 N ATOM 8 CA ASP A 1 4.162 11.131 -11.659 1.00 0.00 C ATOM 9 C ASP A 1 3.770 9.763 -11.075 1.00 0.00 C ATOM 10 O ASP A 1 4.034 8.719 -11.676 1.00 0.00 O ATOM 11 CB ASP A 1 5.575 11.516 -11.201 1.00 0.00 C ATOM 12 CG ASP A 1 6.655 10.591 -11.789 1.00 0.00 C ATOM 13 OD1 ASP A 1 6.874 10.623 -13.023 1.00 0.00 O ATOM 14 OD2 ASP A 1 7.313 9.856 -11.013 1.00 0.00 O ATOM 0 H ASP A 1 3.001 12.207 -10.284 1.00 0.00 H new ATOM 0 HA ASP A 1 4.114 11.017 -12.742 1.00 0.00 H new ATOM 0 HB2 ASP A 1 5.782 12.545 -11.496 1.00 0.00 H new ATOM 0 HB3 ASP A 1 5.623 11.481 -10.113 1.00 0.00 H new ATOM 19 N TYR A 2 3.072 9.777 -9.936 1.00 0.00 N ATOM 20 CA TYR A 2 2.584 8.582 -9.230 1.00 0.00 C ATOM 21 C TYR A 2 1.766 7.656 -10.125 1.00 0.00 C ATOM 22 O TYR A 2 1.863 6.443 -10.003 1.00 0.00 O ATOM 23 CB TYR A 2 1.681 8.964 -8.046 1.00 0.00 C ATOM 24 CG TYR A 2 2.062 10.227 -7.313 1.00 0.00 C ATOM 25 CD1 TYR A 2 3.279 10.295 -6.613 1.00 0.00 C ATOM 26 CD2 TYR A 2 1.209 11.344 -7.367 1.00 0.00 C ATOM 27 CE1 TYR A 2 3.644 11.486 -5.962 1.00 0.00 C ATOM 28 CE2 TYR A 2 1.569 12.536 -6.717 1.00 0.00 C ATOM 29 CZ TYR A 2 2.790 12.614 -6.009 1.00 0.00 C ATOM 30 OH TYR A 2 3.144 13.772 -5.387 1.00 0.00 O ATOM 0 H TYR A 2 2.822 10.645 -9.463 1.00 0.00 H new ATOM 0 HA TYR A 2 3.484 8.067 -8.893 1.00 0.00 H new ATOM 0 HB2 TYR A 2 0.660 9.072 -8.412 1.00 0.00 H new ATOM 0 HB3 TYR A 2 1.679 8.139 -7.334 1.00 0.00 H new ATOM 0 HD1 TYR A 2 3.931 9.435 -6.576 1.00 0.00 H new ATOM 0 HD2 TYR A 2 0.277 11.285 -7.909 1.00 0.00 H new ATOM 0 HE1 TYR A 2 4.579 11.541 -5.424 1.00 0.00 H new ATOM 0 HE2 TYR A 2 0.913 13.393 -6.758 1.00 0.00 H new ATOM 0 HH TYR A 2 2.443 14.443 -5.522 1.00 0.00 H new ATOM 40 N LEU A 3 0.956 8.230 -11.017 1.00 0.00 N ATOM 41 CA LEU A 3 0.004 7.515 -11.872 1.00 0.00 C ATOM 42 C LEU A 3 0.713 6.508 -12.784 1.00 0.00 C ATOM 43 O LEU A 3 0.287 5.355 -12.883 1.00 0.00 O ATOM 44 CB LEU A 3 -0.800 8.529 -12.709 1.00 0.00 C ATOM 45 CG LEU A 3 -1.628 9.515 -11.866 1.00 0.00 C ATOM 46 CD1 LEU A 3 -2.219 10.586 -12.777 1.00 0.00 C ATOM 47 CD2 LEU A 3 -2.779 8.827 -11.118 1.00 0.00 C ATOM 0 H LEU A 3 0.944 9.238 -11.170 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.676 6.952 -11.233 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.112 9.093 -13.338 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.469 7.985 -13.376 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.955 9.949 -11.127 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.806 11.286 -12.182 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.413 11.122 -13.278 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.861 10.116 -13.522 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.331 9.568 -10.539 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.449 8.355 -11.836 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.375 8.069 -10.447 1.00 0.00 H new ATOM 59 N ARG A 4 1.830 6.916 -13.407 1.00 0.00 N ATOM 60 CA ARG A 4 2.662 5.992 -14.187 1.00 0.00 C ATOM 61 C ARG A 4 3.445 5.042 -13.291 1.00 0.00 C ATOM 62 O ARG A 4 3.568 3.886 -13.658 1.00 0.00 O ATOM 63 CB ARG A 4 3.563 6.739 -15.185 1.00 0.00 C ATOM 64 CG ARG A 4 4.223 5.734 -16.148 1.00 0.00 C ATOM 65 CD ARG A 4 4.801 6.408 -17.398 1.00 0.00 C ATOM 66 NE ARG A 4 5.333 5.415 -18.358 1.00 0.00 N ATOM 67 CZ ARG A 4 4.644 4.646 -19.187 1.00 0.00 C ATOM 68 NH1 ARG A 4 3.343 4.682 -19.257 1.00 0.00 N ATOM 69 NH2 ARG A 4 5.258 3.806 -19.971 1.00 0.00 N ATOM 0 H ARG A 4 2.175 7.876 -13.385 1.00 0.00 H new ATOM 0 HA ARG A 4 1.990 5.373 -14.781 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.975 7.463 -15.748 1.00 0.00 H new ATOM 0 HB3 ARG A 4 4.329 7.299 -14.648 1.00 0.00 H new ATOM 0 HG2 ARG A 4 5.019 5.204 -15.625 1.00 0.00 H new ATOM 0 HG3 ARG A 4 3.487 4.988 -16.449 1.00 0.00 H new ATOM 0 HD2 ARG A 4 4.027 7.003 -17.882 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.596 7.095 -17.107 1.00 0.00 H new ATOM 0 HE ARG A 4 6.347 5.311 -18.384 1.00 0.00 H new ATOM 0 HH11 ARG A 4 2.818 5.320 -18.659 1.00 0.00 H new ATOM 0 HH12 ARG A 4 2.850 4.072 -19.910 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.275 3.738 -19.949 1.00 0.00 H new ATOM 0 HH22 ARG A 4 4.721 3.217 -20.607 1.00 0.00 H new ATOM 83 N GLU A 5 3.912 5.449 -12.111 1.00 0.00 N ATOM 84 CA GLU A 5 4.527 4.503 -11.158 1.00 0.00 C ATOM 85 C GLU A 5 3.542 3.398 -10.695 1.00 0.00 C ATOM 86 O GLU A 5 3.931 2.242 -10.516 1.00 0.00 O ATOM 87 CB GLU A 5 5.135 5.284 -9.985 1.00 0.00 C ATOM 88 CG GLU A 5 5.898 4.384 -9.007 1.00 0.00 C ATOM 89 CD GLU A 5 6.779 5.203 -8.042 1.00 0.00 C ATOM 90 OE1 GLU A 5 6.254 6.100 -7.339 1.00 0.00 O ATOM 91 OE2 GLU A 5 8.006 4.945 -7.971 1.00 0.00 O ATOM 0 H GLU A 5 3.881 6.416 -11.787 1.00 0.00 H new ATOM 0 HA GLU A 5 5.328 3.969 -11.669 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.810 6.047 -10.373 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.341 5.804 -9.450 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.189 3.787 -8.434 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.522 3.687 -9.566 1.00 0.00 H new ATOM 98 N LEU A 6 2.257 3.746 -10.566 1.00 0.00 N ATOM 99 CA LEU A 6 1.122 2.869 -10.271 1.00 0.00 C ATOM 100 C LEU A 6 0.854 1.867 -11.411 1.00 0.00 C ATOM 101 O LEU A 6 0.950 0.653 -11.212 1.00 0.00 O ATOM 102 CB LEU A 6 -0.105 3.773 -9.974 1.00 0.00 C ATOM 103 CG LEU A 6 -0.504 3.795 -8.491 1.00 0.00 C ATOM 104 CD1 LEU A 6 0.596 4.320 -7.558 1.00 0.00 C ATOM 105 CD2 LEU A 6 -1.729 4.690 -8.282 1.00 0.00 C ATOM 0 H LEU A 6 1.964 4.717 -10.673 1.00 0.00 H new ATOM 0 HA LEU A 6 1.342 2.252 -9.400 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.116 4.790 -10.298 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.953 3.427 -10.565 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.705 2.754 -8.238 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.238 4.305 -6.529 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.479 3.687 -7.645 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.853 5.342 -7.837 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.000 4.695 -7.226 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.496 5.706 -8.602 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.564 4.307 -8.869 1.00 0.00 H new ATOM 117 N LEU A 7 0.546 2.364 -12.617 1.00 0.00 N ATOM 118 CA LEU A 7 0.300 1.521 -13.796 1.00 0.00 C ATOM 119 C LEU A 7 1.526 0.732 -14.271 1.00 0.00 C ATOM 120 O LEU A 7 1.387 -0.459 -14.563 1.00 0.00 O ATOM 121 CB LEU A 7 -0.282 2.317 -14.978 1.00 0.00 C ATOM 122 CG LEU A 7 -1.815 2.458 -14.911 1.00 0.00 C ATOM 123 CD1 LEU A 7 -2.210 3.849 -14.426 1.00 0.00 C ATOM 124 CD2 LEU A 7 -2.458 2.204 -16.274 1.00 0.00 C ATOM 0 H LEU A 7 0.460 3.363 -12.803 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.439 0.798 -13.450 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.168 3.309 -14.998 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.008 1.824 -15.911 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.175 1.710 -14.205 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.297 3.926 -14.387 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.798 4.018 -13.431 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.818 4.599 -15.113 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.540 2.311 -16.192 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.076 2.925 -16.997 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.218 1.194 -16.607 1.00 0.00 H new ATOM 136 N LYS A 8 2.729 1.332 -14.306 1.00 0.00 N ATOM 137 CA LYS A 8 4.010 0.657 -14.611 1.00 0.00 C ATOM 138 C LYS A 8 4.512 -0.245 -13.468 1.00 0.00 C ATOM 139 O LYS A 8 5.702 -0.312 -13.144 1.00 0.00 O ATOM 140 CB LYS A 8 5.036 1.715 -15.048 1.00 0.00 C ATOM 141 CG LYS A 8 6.162 1.101 -15.882 1.00 0.00 C ATOM 142 CD LYS A 8 7.037 2.219 -16.445 1.00 0.00 C ATOM 143 CE LYS A 8 8.062 1.598 -17.383 1.00 0.00 C ATOM 144 NZ LYS A 8 9.211 0.990 -16.653 1.00 0.00 N ATOM 0 H LYS A 8 2.844 2.328 -14.118 1.00 0.00 H new ATOM 0 HA LYS A 8 3.851 -0.037 -15.436 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.535 2.490 -15.628 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.458 2.199 -14.167 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.761 0.429 -15.268 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.746 0.505 -16.694 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.426 2.947 -16.979 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.537 2.753 -15.637 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.577 0.834 -17.991 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.433 2.361 -18.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.880 0.581 -17.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.693 1.722 -16.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.863 0.242 -16.020 1.00 0.00 H new ATOM 158 N GLY A 9 3.568 -0.946 -12.858 1.00 0.00 N ATOM 159 CA GLY A 9 3.824 -2.033 -11.931 1.00 0.00 C ATOM 160 C GLY A 9 2.723 -3.048 -11.691 1.00 0.00 C ATOM 161 O GLY A 9 3.027 -4.222 -11.484 1.00 0.00 O ATOM 0 H GLY A 9 2.574 -0.767 -13.000 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.702 -2.573 -12.286 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.087 -1.594 -10.969 1.00 0.00 H new ATOM 165 N GLU A 10 1.453 -2.660 -11.761 1.00 0.00 N ATOM 166 CA GLU A 10 0.384 -3.668 -11.597 1.00 0.00 C ATOM 167 C GLU A 10 0.262 -4.631 -12.796 1.00 0.00 C ATOM 168 O GLU A 10 -0.138 -5.782 -12.596 1.00 0.00 O ATOM 169 CB GLU A 10 -0.967 -3.038 -11.210 1.00 0.00 C ATOM 170 CG GLU A 10 -1.039 -2.623 -9.722 1.00 0.00 C ATOM 171 CD GLU A 10 -2.317 -3.083 -8.995 1.00 0.00 C ATOM 172 OE1 GLU A 10 -3.142 -3.920 -9.394 1.00 0.00 O ATOM 173 OE2 GLU A 10 -2.550 -2.996 -7.778 1.00 0.00 O ATOM 0 H GLU A 10 1.137 -1.704 -11.922 1.00 0.00 H new ATOM 0 HA GLU A 10 0.693 -4.286 -10.754 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.145 -2.162 -11.834 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.766 -3.748 -11.422 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.173 -3.031 -9.201 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.969 -1.537 -9.656 1.00 0.00 H new ATOM 180 N LEU A 11 0.680 -4.254 -14.017 1.00 0.00 N ATOM 181 CA LEU A 11 0.671 -5.173 -15.167 1.00 0.00 C ATOM 182 C LEU A 11 1.729 -6.286 -15.021 1.00 0.00 C ATOM 183 O LEU A 11 1.525 -7.426 -15.438 1.00 0.00 O ATOM 184 CB LEU A 11 0.821 -4.270 -16.417 1.00 0.00 C ATOM 185 CG LEU A 11 1.612 -4.849 -17.594 1.00 0.00 C ATOM 186 CD1 LEU A 11 0.850 -5.949 -18.338 1.00 0.00 C ATOM 187 CD2 LEU A 11 1.950 -3.748 -18.601 1.00 0.00 C ATOM 0 H LEU A 11 1.028 -3.320 -14.232 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.255 -5.743 -15.248 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.177 -4.012 -16.772 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.300 -3.341 -16.110 1.00 0.00 H new ATOM 0 HG LEU A 11 2.516 -5.281 -17.166 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.460 -6.321 -19.161 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.629 -6.767 -17.652 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.082 -5.544 -18.731 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.512 -4.175 -19.432 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.029 -3.303 -18.977 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.551 -2.980 -18.113 1.00 0.00 H new ATOM 199 N GLN A 12 2.830 -5.972 -14.346 1.00 0.00 N ATOM 200 CA GLN A 12 3.959 -6.846 -14.054 1.00 0.00 C ATOM 201 C GLN A 12 3.612 -7.984 -13.072 1.00 0.00 C ATOM 202 O GLN A 12 4.378 -8.942 -12.949 1.00 0.00 O ATOM 203 CB GLN A 12 5.132 -5.968 -13.564 1.00 0.00 C ATOM 204 CG GLN A 12 6.037 -5.506 -14.718 1.00 0.00 C ATOM 205 CD GLN A 12 5.335 -4.576 -15.711 1.00 0.00 C ATOM 206 OE1 GLN A 12 4.623 -3.645 -15.352 1.00 0.00 O ATOM 207 NE2 GLN A 12 5.498 -4.794 -17.000 1.00 0.00 N ATOM 0 H GLN A 12 2.965 -5.036 -13.963 1.00 0.00 H new ATOM 0 HA GLN A 12 4.250 -7.367 -14.966 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.737 -5.096 -13.043 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.726 -6.529 -12.842 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.906 -4.994 -14.305 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.407 -6.381 -15.252 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.087 -5.564 -17.316 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.035 -4.193 -17.681 1.00 0.00 H new ATOM 216 N GLY A 13 2.438 -7.925 -12.427 1.00 0.00 N ATOM 217 CA GLY A 13 1.890 -9.014 -11.618 1.00 0.00 C ATOM 218 C GLY A 13 1.015 -9.961 -12.438 1.00 0.00 C ATOM 219 O GLY A 13 1.090 -11.176 -12.239 1.00 0.00 O ATOM 0 H GLY A 13 1.835 -7.103 -12.456 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.708 -9.577 -11.168 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.303 -8.596 -10.800 1.00 0.00 H new ATOM 223 N ILE A 14 0.242 -9.442 -13.409 1.00 0.00 N ATOM 224 CA ILE A 14 -0.741 -10.254 -14.169 1.00 0.00 C ATOM 225 C ILE A 14 -0.099 -11.493 -14.799 1.00 0.00 C ATOM 226 O ILE A 14 -0.633 -12.604 -14.733 1.00 0.00 O ATOM 227 CB ILE A 14 -1.422 -9.411 -15.274 1.00 0.00 C ATOM 228 CG1 ILE A 14 -2.077 -8.121 -14.742 1.00 0.00 C ATOM 229 CG2 ILE A 14 -2.457 -10.240 -16.057 1.00 0.00 C ATOM 230 CD1 ILE A 14 -3.177 -8.336 -13.701 1.00 0.00 C ATOM 0 H ILE A 14 0.275 -8.462 -13.690 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.492 -10.585 -13.451 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.619 -9.110 -15.947 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.302 -7.492 -14.305 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.497 -7.571 -15.584 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.916 -9.617 -16.825 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.962 -11.090 -16.527 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.226 -10.600 -15.374 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.576 -7.371 -13.388 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.977 -8.936 -14.135 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.763 -8.855 -12.836 1.00 0.00 H new ATOM 242 N LYS A 15 1.079 -11.286 -15.390 1.00 0.00 N ATOM 243 CA LYS A 15 1.742 -12.251 -16.272 1.00 0.00 C ATOM 244 C LYS A 15 2.553 -13.324 -15.532 1.00 0.00 C ATOM 245 O LYS A 15 2.894 -14.348 -16.122 1.00 0.00 O ATOM 246 CB LYS A 15 2.549 -11.485 -17.342 1.00 0.00 C ATOM 247 CG LYS A 15 2.503 -12.188 -18.711 1.00 0.00 C ATOM 248 CD LYS A 15 2.937 -11.235 -19.837 1.00 0.00 C ATOM 249 CE LYS A 15 2.758 -11.903 -21.206 1.00 0.00 C ATOM 250 NZ LYS A 15 3.000 -10.944 -22.319 1.00 0.00 N ATOM 0 H LYS A 15 1.611 -10.425 -15.267 1.00 0.00 H new ATOM 0 HA LYS A 15 0.972 -12.837 -16.774 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.153 -10.474 -17.440 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.585 -11.392 -17.017 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.156 -13.061 -18.697 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.493 -12.548 -18.905 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.348 -10.319 -19.793 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.980 -10.950 -19.698 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.445 -12.744 -21.294 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.749 -12.307 -21.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.870 -11.429 -23.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.327 -10.154 -22.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.972 -10.578 -22.257 1.00 0.00 H new ATOM 264 N GLN A 16 2.796 -13.135 -14.229 1.00 0.00 N ATOM 265 CA GLN A 16 3.357 -14.140 -13.327 1.00 0.00 C ATOM 266 C GLN A 16 2.264 -14.993 -12.674 1.00 0.00 C ATOM 267 O GLN A 16 2.442 -16.203 -12.512 1.00 0.00 O ATOM 268 CB GLN A 16 4.190 -13.443 -12.240 1.00 0.00 C ATOM 269 CG GLN A 16 5.593 -13.056 -12.721 1.00 0.00 C ATOM 270 CD GLN A 16 6.559 -12.916 -11.541 1.00 0.00 C ATOM 271 OE1 GLN A 16 6.775 -11.846 -10.996 1.00 0.00 O ATOM 272 NE2 GLN A 16 7.182 -13.997 -11.105 1.00 0.00 N ATOM 0 H GLN A 16 2.600 -12.250 -13.762 1.00 0.00 H new ATOM 0 HA GLN A 16 3.989 -14.805 -13.915 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.666 -12.548 -11.906 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.276 -14.103 -11.377 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.965 -13.812 -13.413 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.546 -12.116 -13.271 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.012 -14.899 -11.551 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.833 -13.930 -10.323 1.00 0.00 H new ATOM 281 N TYR A 17 1.130 -14.387 -12.316 1.00 0.00 N ATOM 282 CA TYR A 17 0.022 -15.096 -11.681 1.00 0.00 C ATOM 283 C TYR A 17 -0.544 -16.231 -12.538 1.00 0.00 C ATOM 284 O TYR A 17 -0.870 -17.293 -12.000 1.00 0.00 O ATOM 285 CB TYR A 17 -1.086 -14.105 -11.320 1.00 0.00 C ATOM 286 CG TYR A 17 -0.864 -13.358 -10.017 1.00 0.00 C ATOM 287 CD1 TYR A 17 -0.619 -14.062 -8.818 1.00 0.00 C ATOM 288 CD2 TYR A 17 -0.940 -11.952 -9.995 1.00 0.00 C ATOM 289 CE1 TYR A 17 -0.428 -13.364 -7.611 1.00 0.00 C ATOM 290 CE2 TYR A 17 -0.752 -11.252 -8.790 1.00 0.00 C ATOM 291 CZ TYR A 17 -0.509 -11.956 -7.593 1.00 0.00 C ATOM 292 OH TYR A 17 -0.441 -11.280 -6.415 1.00 0.00 O ATOM 0 H TYR A 17 0.956 -13.392 -12.459 1.00 0.00 H new ATOM 0 HA TYR A 17 0.421 -15.561 -10.780 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.184 -13.380 -12.128 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.032 -14.644 -11.259 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.578 -15.141 -8.827 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.143 -11.410 -10.907 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.220 -13.906 -6.700 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.794 -10.173 -8.781 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.512 -10.318 -6.586 1.00 0.00 H new ATOM 302 N ARG A 18 -0.625 -16.047 -13.864 1.00 0.00 N ATOM 303 CA ARG A 18 -1.110 -17.114 -14.756 1.00 0.00 C ATOM 304 C ARG A 18 -0.169 -18.334 -14.794 1.00 0.00 C ATOM 305 O ARG A 18 -0.622 -19.468 -14.933 1.00 0.00 O ATOM 306 CB ARG A 18 -1.413 -16.549 -16.144 1.00 0.00 C ATOM 307 CG ARG A 18 -2.155 -17.569 -17.028 1.00 0.00 C ATOM 308 CD ARG A 18 -2.735 -16.952 -18.308 1.00 0.00 C ATOM 309 NE ARG A 18 -1.691 -16.545 -19.272 1.00 0.00 N ATOM 310 CZ ARG A 18 -1.898 -16.120 -20.507 1.00 0.00 C ATOM 311 NH1 ARG A 18 -3.094 -15.993 -21.008 1.00 0.00 N ATOM 312 NH2 ARG A 18 -0.890 -15.812 -21.275 1.00 0.00 N ATOM 0 H ARG A 18 -0.365 -15.182 -14.339 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.045 -17.495 -14.344 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.017 -15.647 -16.045 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.481 -16.258 -16.629 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.469 -18.372 -17.298 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.963 -18.020 -16.451 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.401 -17.672 -18.783 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.339 -16.084 -18.046 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.723 -16.597 -18.956 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.911 -16.225 -20.443 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.213 -15.662 -21.965 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.064 -15.898 -20.924 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.055 -15.485 -22.227 1.00 0.00 H new ATOM 326 N GLU A 19 1.134 -18.100 -14.614 1.00 0.00 N ATOM 327 CA GLU A 19 2.171 -19.141 -14.509 1.00 0.00 C ATOM 328 C GLU A 19 2.150 -19.886 -13.156 1.00 0.00 C ATOM 329 O GLU A 19 2.470 -21.071 -13.087 1.00 0.00 O ATOM 330 CB GLU A 19 3.563 -18.507 -14.714 1.00 0.00 C ATOM 331 CG GLU A 19 4.323 -19.081 -15.919 1.00 0.00 C ATOM 332 CD GLU A 19 3.748 -18.602 -17.267 1.00 0.00 C ATOM 333 OE1 GLU A 19 2.720 -19.151 -17.730 1.00 0.00 O ATOM 334 OE2 GLU A 19 4.343 -17.690 -17.891 1.00 0.00 O ATOM 0 H GLU A 19 1.511 -17.156 -14.535 1.00 0.00 H new ATOM 0 HA GLU A 19 1.958 -19.875 -15.286 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.448 -17.431 -14.845 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.158 -18.657 -13.813 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.372 -18.793 -15.853 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.289 -20.170 -15.880 1.00 0.00 H new ATOM 341 N ALA A 20 1.790 -19.197 -12.071 1.00 0.00 N ATOM 342 CA ALA A 20 1.878 -19.701 -10.696 1.00 0.00 C ATOM 343 C ALA A 20 0.841 -20.790 -10.366 1.00 0.00 C ATOM 344 O ALA A 20 1.157 -21.730 -9.631 1.00 0.00 O ATOM 345 CB ALA A 20 1.763 -18.505 -9.744 1.00 0.00 C ATOM 0 H ALA A 20 1.419 -18.248 -12.124 1.00 0.00 H new ATOM 0 HA ALA A 20 2.841 -20.197 -10.575 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.826 -18.853 -8.713 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.575 -17.804 -9.940 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.807 -18.006 -9.901 1.00 0.00 H new ATOM 351 N LEU A 21 -0.361 -20.724 -10.957 1.00 0.00 N ATOM 352 CA LEU A 21 -1.394 -21.765 -10.813 1.00 0.00 C ATOM 353 C LEU A 21 -0.889 -23.140 -11.262 1.00 0.00 C ATOM 354 O LEU A 21 -1.344 -24.151 -10.737 1.00 0.00 O ATOM 355 CB LEU A 21 -2.689 -21.338 -11.530 1.00 0.00 C ATOM 356 CG LEU A 21 -3.916 -22.242 -11.267 1.00 0.00 C ATOM 357 CD1 LEU A 21 -5.201 -21.409 -11.264 1.00 0.00 C ATOM 358 CD2 LEU A 21 -4.102 -23.320 -12.342 1.00 0.00 C ATOM 0 H LEU A 21 -0.647 -19.945 -11.551 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.629 -21.872 -9.754 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.935 -20.321 -11.226 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.500 -21.313 -12.603 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.731 -22.714 -10.302 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.056 -22.059 -11.078 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.143 -20.653 -10.481 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.320 -20.921 -12.231 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.978 -23.923 -12.104 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.241 -22.845 -13.313 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.219 -23.959 -12.373 1.00 0.00 H new ATOM 370 N GLU A 22 0.093 -23.207 -12.165 1.00 0.00 N ATOM 371 CA GLU A 22 0.671 -24.497 -12.575 1.00 0.00 C ATOM 372 C GLU A 22 1.415 -25.235 -11.447 1.00 0.00 C ATOM 373 O GLU A 22 1.499 -26.464 -11.467 1.00 0.00 O ATOM 374 CB GLU A 22 1.619 -24.313 -13.767 1.00 0.00 C ATOM 375 CG GLU A 22 1.148 -25.060 -15.026 1.00 0.00 C ATOM 376 CD GLU A 22 1.150 -26.594 -14.852 1.00 0.00 C ATOM 377 OE1 GLU A 22 0.142 -27.151 -14.349 1.00 0.00 O ATOM 378 OE2 GLU A 22 2.146 -27.253 -15.240 1.00 0.00 O ATOM 0 H GLU A 22 0.504 -22.394 -12.624 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.180 -25.118 -12.856 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.709 -23.250 -13.993 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.613 -24.665 -13.492 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.141 -24.730 -15.282 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.794 -24.794 -15.863 1.00 0.00 H new ATOM 385 N TYR A 23 1.927 -24.501 -10.454 1.00 0.00 N ATOM 386 CA TYR A 23 2.586 -25.078 -9.276 1.00 0.00 C ATOM 387 C TYR A 23 1.650 -25.198 -8.068 1.00 0.00 C ATOM 388 O TYR A 23 1.804 -26.122 -7.266 1.00 0.00 O ATOM 389 CB TYR A 23 3.828 -24.250 -8.916 1.00 0.00 C ATOM 390 CG TYR A 23 5.045 -24.589 -9.756 1.00 0.00 C ATOM 391 CD1 TYR A 23 5.769 -25.766 -9.477 1.00 0.00 C ATOM 392 CD2 TYR A 23 5.450 -23.748 -10.812 1.00 0.00 C ATOM 393 CE1 TYR A 23 6.899 -26.102 -10.247 1.00 0.00 C ATOM 394 CE2 TYR A 23 6.584 -24.080 -11.581 1.00 0.00 C ATOM 395 CZ TYR A 23 7.313 -25.258 -11.300 1.00 0.00 C ATOM 396 OH TYR A 23 8.408 -25.591 -12.038 1.00 0.00 O ATOM 0 H TYR A 23 1.896 -23.482 -10.444 1.00 0.00 H new ATOM 0 HA TYR A 23 2.884 -26.093 -9.538 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.597 -23.192 -9.036 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.067 -24.407 -7.864 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.456 -26.412 -8.670 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.892 -22.850 -11.032 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.449 -27.006 -10.032 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.897 -23.433 -12.387 1.00 0.00 H new ATOM 0 HH TYR A 23 8.560 -24.908 -12.724 1.00 0.00 H new ATOM 406 N THR A 24 0.669 -24.298 -7.932 1.00 0.00 N ATOM 407 CA THR A 24 -0.208 -24.233 -6.748 1.00 0.00 C ATOM 408 C THR A 24 -1.554 -24.940 -6.933 1.00 0.00 C ATOM 409 O THR A 24 -2.134 -25.398 -5.947 1.00 0.00 O ATOM 410 CB THR A 24 -0.480 -22.775 -6.362 1.00 0.00 C ATOM 411 OG1 THR A 24 -1.185 -22.145 -7.401 1.00 0.00 O ATOM 412 CG2 THR A 24 0.796 -21.970 -6.100 1.00 0.00 C ATOM 0 H THR A 24 0.458 -23.592 -8.638 1.00 0.00 H new ATOM 0 HA THR A 24 0.334 -24.756 -5.960 1.00 0.00 H new ATOM 0 HB THR A 24 -1.054 -22.801 -5.436 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.961 -21.191 -7.417 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.532 -20.947 -5.832 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.353 -22.427 -5.282 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.412 -21.962 -6.999 1.00 0.00 H new ATOM 420 N HIS A 25 -2.057 -25.027 -8.175 1.00 0.00 N ATOM 421 CA HIS A 25 -3.405 -25.485 -8.576 1.00 0.00 C ATOM 422 C HIS A 25 -4.507 -25.140 -7.552 1.00 0.00 C ATOM 423 O HIS A 25 -5.293 -25.994 -7.135 1.00 0.00 O ATOM 424 CB HIS A 25 -3.355 -26.968 -9.003 1.00 0.00 C ATOM 425 CG HIS A 25 -2.883 -27.153 -10.426 1.00 0.00 C ATOM 426 ND1 HIS A 25 -3.699 -27.218 -11.543 1.00 0.00 N ATOM 427 CD2 HIS A 25 -1.587 -27.249 -10.854 1.00 0.00 C ATOM 428 CE1 HIS A 25 -2.912 -27.341 -12.630 1.00 0.00 C ATOM 429 NE2 HIS A 25 -1.624 -27.365 -12.234 1.00 0.00 N ATOM 0 H HIS A 25 -1.497 -24.762 -8.985 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.711 -24.915 -9.453 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.691 -27.512 -8.331 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.347 -27.406 -8.895 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.703 -27.237 -10.234 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -3.257 -27.409 -13.651 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -0.813 -27.454 -12.847 1.00 0.00 H new ATOM 438 N ASN A 26 -4.532 -23.877 -7.113 1.00 0.00 N ATOM 439 CA ASN A 26 -5.333 -23.400 -5.980 1.00 0.00 C ATOM 440 C ASN A 26 -6.417 -22.394 -6.428 1.00 0.00 C ATOM 441 O ASN A 26 -6.152 -21.562 -7.301 1.00 0.00 O ATOM 442 CB ASN A 26 -4.372 -22.790 -4.929 1.00 0.00 C ATOM 443 CG ASN A 26 -4.340 -23.594 -3.639 1.00 0.00 C ATOM 444 OD1 ASN A 26 -4.943 -23.231 -2.642 1.00 0.00 O ATOM 445 ND2 ASN A 26 -3.656 -24.713 -3.620 1.00 0.00 N ATOM 0 H ASN A 26 -3.980 -23.138 -7.548 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.873 -24.236 -5.534 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.367 -22.738 -5.347 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.679 -21.768 -4.709 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.628 -25.279 -2.772 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.152 -25.017 -4.453 1.00 0.00 H new ATOM 452 N PRO A 27 -7.612 -22.392 -5.797 1.00 0.00 N ATOM 453 CA PRO A 27 -8.717 -21.484 -6.138 1.00 0.00 C ATOM 454 C PRO A 27 -8.461 -20.023 -5.728 1.00 0.00 C ATOM 455 O PRO A 27 -9.267 -19.140 -6.023 1.00 0.00 O ATOM 456 CB PRO A 27 -9.941 -22.060 -5.413 1.00 0.00 C ATOM 457 CG PRO A 27 -9.336 -22.711 -4.172 1.00 0.00 C ATOM 458 CD PRO A 27 -8.015 -23.267 -4.699 1.00 0.00 C ATOM 0 HA PRO A 27 -8.851 -21.436 -7.219 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.657 -21.281 -5.151 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.471 -22.785 -6.031 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.181 -21.989 -3.370 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.977 -23.498 -3.773 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.258 -23.281 -3.915 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.135 -24.294 -5.044 1.00 0.00 H new ATOM 466 N VAL A 28 -7.347 -19.744 -5.042 1.00 0.00 N ATOM 467 CA VAL A 28 -7.003 -18.420 -4.519 1.00 0.00 C ATOM 468 C VAL A 28 -6.527 -17.491 -5.630 1.00 0.00 C ATOM 469 O VAL A 28 -6.838 -16.307 -5.606 1.00 0.00 O ATOM 470 CB VAL A 28 -5.957 -18.527 -3.392 1.00 0.00 C ATOM 471 CG1 VAL A 28 -6.051 -17.294 -2.505 1.00 0.00 C ATOM 472 CG2 VAL A 28 -6.142 -19.739 -2.464 1.00 0.00 C ATOM 0 H VAL A 28 -6.643 -20.451 -4.831 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.908 -17.984 -4.095 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.998 -18.629 -3.899 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.313 -17.364 -1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.857 -16.402 -3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.050 -17.232 -2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.363 -19.735 -1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.120 -19.685 -1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.074 -20.657 -3.047 1.00 0.00 H new ATOM 482 N LEU A 29 -5.852 -18.003 -6.661 1.00 0.00 N ATOM 483 CA LEU A 29 -5.401 -17.201 -7.800 1.00 0.00 C ATOM 484 C LEU A 29 -6.582 -16.719 -8.666 1.00 0.00 C ATOM 485 O LEU A 29 -6.539 -15.607 -9.198 1.00 0.00 O ATOM 486 CB LEU A 29 -4.354 -18.003 -8.589 1.00 0.00 C ATOM 487 CG LEU A 29 -3.054 -18.246 -7.794 1.00 0.00 C ATOM 488 CD1 LEU A 29 -3.086 -19.530 -6.956 1.00 0.00 C ATOM 489 CD2 LEU A 29 -1.861 -18.356 -8.738 1.00 0.00 C ATOM 0 H LEU A 29 -5.602 -18.989 -6.730 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.927 -16.287 -7.441 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.782 -18.963 -8.877 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.116 -17.471 -9.510 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.962 -17.390 -7.125 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.142 -19.640 -6.423 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.904 -19.475 -6.238 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.235 -20.388 -7.611 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.953 -18.527 -8.159 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.016 -19.188 -9.425 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.760 -17.431 -9.306 1.00 0.00 H new ATOM 501 N ALA A 30 -7.681 -17.485 -8.681 1.00 0.00 N ATOM 502 CA ALA A 30 -9.003 -17.083 -9.179 1.00 0.00 C ATOM 503 C ALA A 30 -9.726 -16.031 -8.294 1.00 0.00 C ATOM 504 O ALA A 30 -10.881 -15.688 -8.560 1.00 0.00 O ATOM 505 CB ALA A 30 -9.847 -18.349 -9.384 1.00 0.00 C ATOM 0 H ALA A 30 -7.672 -18.443 -8.331 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.862 -16.567 -10.129 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.834 -18.072 -9.754 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.357 -19.000 -10.109 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.950 -18.875 -8.435 1.00 0.00 H new ATOM 511 N LYS A 31 -9.043 -15.480 -7.279 1.00 0.00 N ATOM 512 CA LYS A 31 -9.367 -14.229 -6.581 1.00 0.00 C ATOM 513 C LYS A 31 -8.227 -13.216 -6.676 1.00 0.00 C ATOM 514 O LYS A 31 -8.482 -12.054 -6.967 1.00 0.00 O ATOM 515 CB LYS A 31 -9.725 -14.475 -5.104 1.00 0.00 C ATOM 516 CG LYS A 31 -10.868 -15.480 -4.893 1.00 0.00 C ATOM 517 CD LYS A 31 -11.395 -15.476 -3.449 1.00 0.00 C ATOM 518 CE LYS A 31 -10.307 -15.798 -2.412 1.00 0.00 C ATOM 519 NZ LYS A 31 -10.873 -15.874 -1.038 1.00 0.00 N ATOM 0 H LYS A 31 -8.203 -15.921 -6.903 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.241 -13.814 -7.083 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.838 -14.835 -4.582 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.002 -13.526 -4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.685 -15.245 -5.575 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.519 -16.481 -5.146 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.823 -14.498 -3.227 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.201 -16.204 -3.360 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.831 -16.746 -2.664 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.532 -15.033 -2.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.480 -16.702 -0.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.627 -15.011 -0.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.908 -15.963 -1.093 1.00 0.00 H new ATOM 533 N ILE A 32 -6.974 -13.647 -6.504 1.00 0.00 N ATOM 534 CA ILE A 32 -5.807 -12.750 -6.465 1.00 0.00 C ATOM 535 C ILE A 32 -5.628 -12.008 -7.792 1.00 0.00 C ATOM 536 O ILE A 32 -5.800 -10.789 -7.835 1.00 0.00 O ATOM 537 CB ILE A 32 -4.514 -13.480 -6.036 1.00 0.00 C ATOM 538 CG1 ILE A 32 -4.590 -14.130 -4.636 1.00 0.00 C ATOM 539 CG2 ILE A 32 -3.358 -12.468 -6.005 1.00 0.00 C ATOM 540 CD1 ILE A 32 -3.638 -15.329 -4.519 1.00 0.00 C ATOM 0 H ILE A 32 -6.736 -14.632 -6.387 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.008 -12.004 -5.696 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.364 -14.277 -6.764 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.339 -13.390 -3.876 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.612 -14.455 -4.440 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.440 -12.973 -5.703 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.225 -12.037 -6.997 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.587 -11.676 -5.292 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.718 -15.761 -3.522 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.906 -16.080 -5.262 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.614 -14.998 -4.690 1.00 0.00 H new ATOM 552 N LEU A 33 -5.335 -12.715 -8.890 1.00 0.00 N ATOM 553 CA LEU A 33 -5.161 -12.073 -10.195 1.00 0.00 C ATOM 554 C LEU A 33 -6.525 -11.669 -10.775 1.00 0.00 C ATOM 555 O LEU A 33 -6.608 -10.728 -11.556 1.00 0.00 O ATOM 556 CB LEU A 33 -4.285 -12.966 -11.104 1.00 0.00 C ATOM 557 CG LEU A 33 -5.034 -13.785 -12.172 1.00 0.00 C ATOM 558 CD1 LEU A 33 -5.035 -13.087 -13.534 1.00 0.00 C ATOM 559 CD2 LEU A 33 -4.467 -15.191 -12.373 1.00 0.00 C ATOM 0 H LEU A 33 -5.214 -13.728 -8.899 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.613 -11.135 -10.102 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.555 -12.332 -11.607 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.726 -13.656 -10.472 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.049 -13.866 -11.783 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.574 -13.700 -14.257 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.524 -12.117 -13.445 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.008 -12.947 -13.872 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.043 -15.710 -13.139 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.425 -15.122 -12.687 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.528 -15.745 -11.436 1.00 0.00 H new ATOM 571 N GLU A 34 -7.603 -12.339 -10.346 1.00 0.00 N ATOM 572 CA GLU A 34 -8.975 -11.953 -10.674 1.00 0.00 C ATOM 573 C GLU A 34 -9.308 -10.545 -10.143 1.00 0.00 C ATOM 574 O GLU A 34 -10.144 -9.843 -10.716 1.00 0.00 O ATOM 575 CB GLU A 34 -9.946 -13.012 -10.133 1.00 0.00 C ATOM 576 CG GLU A 34 -11.379 -12.926 -10.676 1.00 0.00 C ATOM 577 CD GLU A 34 -11.461 -13.290 -12.172 1.00 0.00 C ATOM 578 OE1 GLU A 34 -11.331 -14.489 -12.519 1.00 0.00 O ATOM 579 OE2 GLU A 34 -11.677 -12.384 -13.011 1.00 0.00 O ATOM 0 H GLU A 34 -7.543 -13.170 -9.757 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.080 -11.906 -11.758 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.546 -13.999 -10.364 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.981 -12.928 -9.047 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.022 -13.596 -10.106 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.761 -11.916 -10.529 1.00 0.00 H new ATOM 586 N ASP A 35 -8.637 -10.087 -9.078 1.00 0.00 N ATOM 587 CA ASP A 35 -8.656 -8.692 -8.668 1.00 0.00 C ATOM 588 C ASP A 35 -7.649 -7.811 -9.411 1.00 0.00 C ATOM 589 O ASP A 35 -8.018 -6.737 -9.881 1.00 0.00 O ATOM 590 CB ASP A 35 -8.387 -8.567 -7.172 1.00 0.00 C ATOM 591 CG ASP A 35 -9.394 -9.246 -6.233 1.00 0.00 C ATOM 592 OD1 ASP A 35 -10.578 -9.429 -6.613 1.00 0.00 O ATOM 593 OD2 ASP A 35 -8.978 -9.535 -5.087 1.00 0.00 O ATOM 0 H ASP A 35 -8.065 -10.683 -8.479 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.655 -8.336 -8.920 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.399 -8.980 -6.968 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.348 -7.507 -6.920 1.00 0.00 H new ATOM 598 N GLU A 36 -6.391 -8.230 -9.580 1.00 0.00 N ATOM 599 CA GLU A 36 -5.435 -7.418 -10.346 1.00 0.00 C ATOM 600 C GLU A 36 -5.887 -7.120 -11.787 1.00 0.00 C ATOM 601 O GLU A 36 -5.508 -6.093 -12.355 1.00 0.00 O ATOM 602 CB GLU A 36 -4.064 -8.089 -10.382 1.00 0.00 C ATOM 603 CG GLU A 36 -3.478 -8.489 -9.031 1.00 0.00 C ATOM 604 CD GLU A 36 -3.289 -7.365 -8.015 1.00 0.00 C ATOM 605 OE1 GLU A 36 -3.608 -6.171 -8.229 1.00 0.00 O ATOM 606 OE2 GLU A 36 -2.807 -7.661 -6.902 1.00 0.00 O ATOM 0 H GLU A 36 -6.016 -9.103 -9.209 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.380 -6.464 -9.822 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.135 -8.982 -11.003 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.364 -7.413 -10.873 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.126 -9.245 -8.588 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.510 -8.960 -9.204 1.00 0.00 H new ATOM 613 N GLU A 37 -6.737 -7.973 -12.368 1.00 0.00 N ATOM 614 CA GLU A 37 -7.207 -7.816 -13.756 1.00 0.00 C ATOM 615 C GLU A 37 -8.152 -6.611 -13.894 1.00 0.00 C ATOM 616 O GLU A 37 -8.211 -5.961 -14.940 1.00 0.00 O ATOM 617 CB GLU A 37 -7.888 -9.110 -14.230 1.00 0.00 C ATOM 618 CG GLU A 37 -8.039 -9.156 -15.757 1.00 0.00 C ATOM 619 CD GLU A 37 -8.671 -10.479 -16.228 1.00 0.00 C ATOM 620 OE1 GLU A 37 -7.947 -11.498 -16.346 1.00 0.00 O ATOM 621 OE2 GLU A 37 -9.891 -10.504 -16.522 1.00 0.00 O ATOM 0 H GLU A 37 -7.120 -8.791 -11.894 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.343 -7.623 -14.392 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.305 -9.969 -13.898 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.871 -9.193 -13.766 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.656 -8.320 -16.087 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.061 -9.034 -16.223 1.00 0.00 H new ATOM 628 N LYS A 38 -8.849 -6.283 -12.798 1.00 0.00 N ATOM 629 CA LYS A 38 -9.743 -5.128 -12.663 1.00 0.00 C ATOM 630 C LYS A 38 -9.058 -3.911 -12.043 1.00 0.00 C ATOM 631 O LYS A 38 -9.397 -2.795 -12.424 1.00 0.00 O ATOM 632 CB LYS A 38 -11.039 -5.567 -11.949 1.00 0.00 C ATOM 633 CG LYS A 38 -10.898 -6.248 -10.588 1.00 0.00 C ATOM 634 CD LYS A 38 -12.283 -6.601 -10.032 1.00 0.00 C ATOM 635 CE LYS A 38 -12.151 -7.295 -8.676 1.00 0.00 C ATOM 636 NZ LYS A 38 -12.106 -8.775 -8.811 1.00 0.00 N ATOM 0 H LYS A 38 -8.802 -6.840 -11.945 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.022 -4.776 -13.656 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.668 -4.686 -11.821 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.575 -6.247 -12.612 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.295 -7.151 -10.685 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.376 -5.589 -9.895 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.882 -5.696 -9.928 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.808 -7.252 -10.731 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.246 -6.949 -8.178 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.991 -7.014 -8.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.782 -9.195 -7.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.056 -9.132 -9.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.448 -9.034 -9.574 1.00 0.00 H new ATOM 650 N HIS A 39 -8.038 -4.084 -11.197 1.00 0.00 N ATOM 651 CA HIS A 39 -7.295 -3.016 -10.529 1.00 0.00 C ATOM 652 C HIS A 39 -6.660 -1.971 -11.456 1.00 0.00 C ATOM 653 O HIS A 39 -6.793 -0.776 -11.200 1.00 0.00 O ATOM 654 CB HIS A 39 -6.189 -3.675 -9.723 1.00 0.00 C ATOM 655 CG HIS A 39 -6.566 -4.172 -8.367 1.00 0.00 C ATOM 656 ND1 HIS A 39 -5.632 -4.350 -7.347 1.00 0.00 N ATOM 657 CD2 HIS A 39 -7.813 -4.485 -7.917 1.00 0.00 C ATOM 658 CE1 HIS A 39 -6.361 -4.771 -6.290 1.00 0.00 C ATOM 659 NE2 HIS A 39 -7.666 -4.865 -6.605 1.00 0.00 N ATOM 0 H HIS A 39 -7.695 -5.012 -10.950 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.017 -2.466 -9.925 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.799 -4.514 -10.299 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.374 -2.960 -9.611 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.734 -4.443 -8.480 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.950 -5.002 -5.318 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.414 -5.165 -5.980 1.00 0.00 H new ATOM 667 N ILE A 40 -5.957 -2.402 -12.510 1.00 0.00 N ATOM 668 CA ILE A 40 -5.231 -1.491 -13.419 1.00 0.00 C ATOM 669 C ILE A 40 -6.202 -0.518 -14.098 1.00 0.00 C ATOM 670 O ILE A 40 -5.921 0.677 -14.192 1.00 0.00 O ATOM 671 CB ILE A 40 -4.431 -2.298 -14.476 1.00 0.00 C ATOM 672 CG1 ILE A 40 -3.368 -3.190 -13.802 1.00 0.00 C ATOM 673 CG2 ILE A 40 -3.729 -1.379 -15.502 1.00 0.00 C ATOM 674 CD1 ILE A 40 -2.965 -4.408 -14.646 1.00 0.00 C ATOM 0 H ILE A 40 -5.872 -3.387 -12.761 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.524 -0.908 -12.828 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.157 -2.918 -15.002 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.481 -2.591 -13.596 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.751 -3.534 -12.841 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.182 -1.988 -16.221 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.475 -0.782 -16.026 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.034 -0.718 -14.983 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.215 -4.990 -14.110 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.842 -5.029 -14.831 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.552 -4.071 -15.597 1.00 0.00 H new ATOM 686 N GLU A 41 -7.361 -1.018 -14.535 1.00 0.00 N ATOM 687 CA GLU A 41 -8.427 -0.171 -15.070 1.00 0.00 C ATOM 688 C GLU A 41 -9.135 0.617 -13.961 1.00 0.00 C ATOM 689 O GLU A 41 -9.351 1.815 -14.127 1.00 0.00 O ATOM 690 CB GLU A 41 -9.401 -0.994 -15.927 1.00 0.00 C ATOM 691 CG GLU A 41 -8.709 -1.479 -17.210 1.00 0.00 C ATOM 692 CD GLU A 41 -9.703 -2.162 -18.166 1.00 0.00 C ATOM 693 OE1 GLU A 41 -10.464 -1.452 -18.868 1.00 0.00 O ATOM 694 OE2 GLU A 41 -9.721 -3.415 -18.245 1.00 0.00 O ATOM 0 H GLU A 41 -7.585 -2.013 -14.528 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.973 0.572 -15.726 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.764 -1.849 -15.357 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.271 -0.389 -16.182 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.241 -0.633 -17.714 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.912 -2.177 -16.953 1.00 0.00 H new ATOM 701 N TRP A 42 -9.395 0.009 -12.798 1.00 0.00 N ATOM 702 CA TRP A 42 -9.947 0.681 -11.607 1.00 0.00 C ATOM 703 C TRP A 42 -9.198 1.968 -11.196 1.00 0.00 C ATOM 704 O TRP A 42 -9.849 2.942 -10.811 1.00 0.00 O ATOM 705 CB TRP A 42 -10.033 -0.343 -10.456 1.00 0.00 C ATOM 706 CG TRP A 42 -11.277 -1.171 -10.363 1.00 0.00 C ATOM 707 CD1 TRP A 42 -12.301 -1.198 -11.247 1.00 0.00 C ATOM 708 CD2 TRP A 42 -11.642 -2.107 -9.303 1.00 0.00 C ATOM 709 NE1 TRP A 42 -13.294 -2.037 -10.780 1.00 0.00 N ATOM 710 CE2 TRP A 42 -12.952 -2.605 -9.571 1.00 0.00 C ATOM 711 CE3 TRP A 42 -10.998 -2.584 -8.139 1.00 0.00 C ATOM 712 CZ2 TRP A 42 -13.613 -3.483 -8.700 1.00 0.00 C ATOM 713 CZ3 TRP A 42 -11.633 -3.501 -7.282 1.00 0.00 C ATOM 714 CH2 TRP A 42 -12.944 -3.937 -7.549 1.00 0.00 C ATOM 0 H TRP A 42 -9.225 -0.986 -12.651 1.00 0.00 H new ATOM 0 HA TRP A 42 -10.946 1.037 -11.861 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.183 -1.020 -10.543 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.916 0.196 -9.516 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.337 -0.648 -12.176 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -14.171 -2.214 -11.269 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.002 -2.239 -7.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.622 -3.806 -8.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.111 -3.873 -6.413 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.436 -4.619 -6.871 1.00 0.00 H new ATOM 725 N LEU A 43 -7.867 2.030 -11.341 1.00 0.00 N ATOM 726 CA LEU A 43 -7.061 3.235 -11.058 1.00 0.00 C ATOM 727 C LEU A 43 -6.806 4.159 -12.269 1.00 0.00 C ATOM 728 O LEU A 43 -6.225 5.231 -12.108 1.00 0.00 O ATOM 729 CB LEU A 43 -5.816 2.861 -10.240 1.00 0.00 C ATOM 730 CG LEU A 43 -4.836 1.928 -10.958 1.00 0.00 C ATOM 731 CD1 LEU A 43 -3.766 2.703 -11.709 1.00 0.00 C ATOM 732 CD2 LEU A 43 -4.141 1.018 -9.954 1.00 0.00 C ATOM 0 H LEU A 43 -7.310 1.238 -11.661 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.669 3.887 -10.431 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.291 3.775 -9.965 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.136 2.386 -9.313 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.420 1.343 -11.669 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.091 2.005 -12.204 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.237 3.344 -12.455 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.202 3.317 -11.007 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.448 0.360 -10.478 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.592 1.624 -9.233 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.885 0.418 -9.431 1.00 0.00 H new ATOM 744 N GLU A 44 -7.306 3.808 -13.459 1.00 0.00 N ATOM 745 CA GLU A 44 -7.371 4.683 -14.638 1.00 0.00 C ATOM 746 C GLU A 44 -8.759 5.307 -14.813 1.00 0.00 C ATOM 747 O GLU A 44 -8.866 6.464 -15.214 1.00 0.00 O ATOM 748 CB GLU A 44 -7.046 3.855 -15.891 1.00 0.00 C ATOM 749 CG GLU A 44 -5.822 4.412 -16.629 1.00 0.00 C ATOM 750 CD GLU A 44 -5.572 3.739 -17.997 1.00 0.00 C ATOM 751 OE1 GLU A 44 -5.872 2.533 -18.173 1.00 0.00 O ATOM 752 OE2 GLU A 44 -5.063 4.425 -18.918 1.00 0.00 O ATOM 0 H GLU A 44 -7.689 2.879 -13.635 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.650 5.488 -14.497 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.861 2.819 -15.606 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.906 3.853 -16.560 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.954 5.484 -16.778 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.939 4.283 -16.002 1.00 0.00 H new ATOM 759 N THR A 45 -9.818 4.578 -14.450 1.00 0.00 N ATOM 760 CA THR A 45 -11.206 5.052 -14.361 1.00 0.00 C ATOM 761 C THR A 45 -11.336 6.372 -13.587 1.00 0.00 C ATOM 762 O THR A 45 -12.163 7.220 -13.927 1.00 0.00 O ATOM 763 CB THR A 45 -12.089 3.961 -13.737 1.00 0.00 C ATOM 764 OG1 THR A 45 -12.215 2.865 -14.618 1.00 0.00 O ATOM 765 CG2 THR A 45 -13.506 4.409 -13.384 1.00 0.00 C ATOM 0 H THR A 45 -9.729 3.594 -14.198 1.00 0.00 H new ATOM 0 HA THR A 45 -11.546 5.259 -15.376 1.00 0.00 H new ATOM 0 HB THR A 45 -11.577 3.698 -12.811 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.378 2.356 -14.629 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.054 3.573 -12.950 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.461 5.226 -12.664 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.016 4.748 -14.286 1.00 0.00 H new ATOM 773 N ILE A 46 -10.476 6.573 -12.579 1.00 0.00 N ATOM 774 CA ILE A 46 -10.340 7.832 -11.817 1.00 0.00 C ATOM 775 C ILE A 46 -10.113 9.041 -12.744 1.00 0.00 C ATOM 776 O ILE A 46 -10.716 10.101 -12.560 1.00 0.00 O ATOM 777 CB ILE A 46 -9.195 7.746 -10.768 1.00 0.00 C ATOM 778 CG1 ILE A 46 -9.195 6.405 -9.994 1.00 0.00 C ATOM 779 CG2 ILE A 46 -9.287 8.944 -9.800 1.00 0.00 C ATOM 780 CD1 ILE A 46 -8.192 6.306 -8.836 1.00 0.00 C ATOM 0 H ILE A 46 -9.836 5.847 -12.259 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.283 7.978 -11.290 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.248 7.787 -11.307 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.196 6.234 -9.599 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.989 5.600 -10.699 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.484 8.881 -9.066 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.194 9.874 -10.362 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.249 8.925 -9.288 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.277 5.327 -8.364 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.180 6.438 -9.219 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -8.406 7.083 -8.102 1.00 0.00 H new ATOM 792 N LEU A 47 -9.236 8.874 -13.737 1.00 0.00 N ATOM 793 CA LEU A 47 -8.836 9.911 -14.690 1.00 0.00 C ATOM 794 C LEU A 47 -9.915 10.213 -15.750 1.00 0.00 C ATOM 795 O LEU A 47 -10.003 11.341 -16.236 1.00 0.00 O ATOM 796 CB LEU A 47 -7.504 9.522 -15.365 1.00 0.00 C ATOM 797 CG LEU A 47 -6.329 9.311 -14.390 1.00 0.00 C ATOM 798 CD1 LEU A 47 -5.141 8.697 -15.137 1.00 0.00 C ATOM 799 CD2 LEU A 47 -5.885 10.630 -13.745 1.00 0.00 C ATOM 0 H LEU A 47 -8.769 7.983 -13.905 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.704 10.831 -14.120 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.655 8.606 -15.935 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.232 10.300 -16.078 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.670 8.640 -13.602 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.313 8.549 -14.444 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.435 7.737 -15.561 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.829 9.367 -15.938 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.055 10.441 -13.064 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.566 11.325 -14.521 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.718 11.062 -13.190 1.00 0.00 H new ATOM 811 N GLY A 48 -10.737 9.213 -16.101 1.00 0.00 N ATOM 812 CA GLY A 48 -11.861 9.355 -17.032 1.00 0.00 C ATOM 813 C GLY A 48 -12.431 8.017 -17.524 1.00 0.00 C ATOM 814 O GLY A 48 -11.899 6.939 -17.250 1.00 0.00 O ATOM 0 H GLY A 48 -10.635 8.265 -15.737 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.655 9.920 -16.544 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.536 9.939 -17.893 1.00 0.00 H new HETATM 818 N NH2 A 49 -13.519 8.068 -18.281 1.00 0.00 N TER 821 NH2 A 49 HETATM 822 C ACE B 0 10.167 -19.488 -5.242 1.00 0.00 C HETATM 823 O ACE B 0 9.522 -18.698 -4.561 1.00 0.00 O HETATM 824 CH3 ACE B 0 9.819 -20.956 -5.253 1.00 0.00 C HETATM 0 H1 ACE B 0 9.565 -21.262 -6.268 1.00 0.00 H new HETATM 0 H2 ACE B 0 10.673 -21.535 -4.902 1.00 0.00 H new HETATM 0 H3 ACE B 0 8.967 -21.133 -4.597 1.00 0.00 H new ATOM 828 N ASP B 1 11.184 -19.117 -6.023 1.00 0.00 N ATOM 829 CA ASP B 1 11.699 -17.737 -6.132 1.00 0.00 C ATOM 830 C ASP B 1 10.623 -16.691 -6.482 1.00 0.00 C ATOM 831 O ASP B 1 10.697 -15.532 -6.066 1.00 0.00 O ATOM 832 CB ASP B 1 12.814 -17.716 -7.187 1.00 0.00 C ATOM 833 CG ASP B 1 13.590 -16.386 -7.193 1.00 0.00 C ATOM 834 OD1 ASP B 1 14.295 -16.093 -6.196 1.00 0.00 O ATOM 835 OD2 ASP B 1 13.527 -15.651 -8.208 1.00 0.00 O ATOM 0 H ASP B 1 11.689 -19.778 -6.614 1.00 0.00 H new ATOM 0 HA ASP B 1 12.074 -17.454 -5.148 1.00 0.00 H new ATOM 0 HB2 ASP B 1 13.506 -18.537 -6.997 1.00 0.00 H new ATOM 0 HB3 ASP B 1 12.381 -17.886 -8.173 1.00 0.00 H new ATOM 840 N TYR B 2 9.583 -17.132 -7.196 1.00 0.00 N ATOM 841 CA TYR B 2 8.406 -16.338 -7.561 1.00 0.00 C ATOM 842 C TYR B 2 7.734 -15.665 -6.363 1.00 0.00 C ATOM 843 O TYR B 2 7.278 -14.533 -6.473 1.00 0.00 O ATOM 844 CB TYR B 2 7.343 -17.225 -8.233 1.00 0.00 C ATOM 845 CG TYR B 2 7.847 -18.351 -9.114 1.00 0.00 C ATOM 846 CD1 TYR B 2 8.656 -18.072 -10.232 1.00 0.00 C ATOM 847 CD2 TYR B 2 7.508 -19.682 -8.801 1.00 0.00 C ATOM 848 CE1 TYR B 2 9.125 -19.127 -11.036 1.00 0.00 C ATOM 849 CE2 TYR B 2 7.971 -20.737 -9.606 1.00 0.00 C ATOM 850 CZ TYR B 2 8.783 -20.465 -10.729 1.00 0.00 C ATOM 851 OH TYR B 2 9.231 -21.490 -11.506 1.00 0.00 O ATOM 0 H TYR B 2 9.536 -18.088 -7.549 1.00 0.00 H new ATOM 0 HA TYR B 2 8.778 -15.568 -8.237 1.00 0.00 H new ATOM 0 HB2 TYR B 2 6.720 -17.659 -7.451 1.00 0.00 H new ATOM 0 HB3 TYR B 2 6.699 -16.585 -8.836 1.00 0.00 H new ATOM 0 HD1 TYR B 2 8.916 -17.051 -10.472 1.00 0.00 H new ATOM 0 HD2 TYR B 2 6.891 -19.892 -7.940 1.00 0.00 H new ATOM 0 HE1 TYR B 2 9.749 -18.914 -11.891 1.00 0.00 H new ATOM 0 HE2 TYR B 2 7.706 -21.756 -9.366 1.00 0.00 H new ATOM 0 HH TYR B 2 8.550 -22.194 -11.544 1.00 0.00 H new ATOM 861 N LEU B 3 7.663 -16.360 -5.227 1.00 0.00 N ATOM 862 CA LEU B 3 6.949 -15.923 -4.023 1.00 0.00 C ATOM 863 C LEU B 3 7.565 -14.634 -3.463 1.00 0.00 C ATOM 864 O LEU B 3 6.850 -13.663 -3.215 1.00 0.00 O ATOM 865 CB LEU B 3 6.986 -17.061 -2.986 1.00 0.00 C ATOM 866 CG LEU B 3 6.309 -18.364 -3.461 1.00 0.00 C ATOM 867 CD1 LEU B 3 6.760 -19.540 -2.598 1.00 0.00 C ATOM 868 CD2 LEU B 3 4.782 -18.265 -3.406 1.00 0.00 C ATOM 0 H LEU B 3 8.113 -17.268 -5.114 1.00 0.00 H new ATOM 0 HA LEU B 3 5.911 -15.699 -4.270 1.00 0.00 H new ATOM 0 HB2 LEU B 3 8.024 -17.274 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.498 -16.722 -2.072 1.00 0.00 H new ATOM 0 HG LEU B 3 6.609 -18.522 -4.497 1.00 0.00 H new ATOM 0 HD11 LEU B 3 6.275 -20.453 -2.944 1.00 0.00 H new ATOM 0 HD12 LEU B 3 7.841 -19.653 -2.674 1.00 0.00 H new ATOM 0 HD13 LEU B 3 6.486 -19.355 -1.559 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.344 -19.203 -3.748 1.00 0.00 H new ATOM 0 HD22 LEU B 3 4.467 -18.070 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU B 3 4.447 -17.452 -4.049 1.00 0.00 H new ATOM 880 N ARG B 4 8.900 -14.582 -3.360 1.00 0.00 N ATOM 881 CA ARG B 4 9.648 -13.372 -2.984 1.00 0.00 C ATOM 882 C ARG B 4 9.353 -12.213 -3.938 1.00 0.00 C ATOM 883 O ARG B 4 9.111 -11.093 -3.493 1.00 0.00 O ATOM 884 CB ARG B 4 11.151 -13.699 -2.953 1.00 0.00 C ATOM 885 CG ARG B 4 11.982 -12.599 -2.274 1.00 0.00 C ATOM 886 CD ARG B 4 13.481 -12.897 -2.423 1.00 0.00 C ATOM 887 NE ARG B 4 14.298 -11.978 -1.601 1.00 0.00 N ATOM 888 CZ ARG B 4 14.851 -12.234 -0.425 1.00 0.00 C ATOM 889 NH1 ARG B 4 14.724 -13.385 0.173 1.00 0.00 N ATOM 890 NH2 ARG B 4 15.557 -11.320 0.181 1.00 0.00 N ATOM 0 H ARG B 4 9.499 -15.388 -3.537 1.00 0.00 H new ATOM 0 HA ARG B 4 9.330 -13.052 -1.992 1.00 0.00 H new ATOM 0 HB2 ARG B 4 11.303 -14.641 -2.426 1.00 0.00 H new ATOM 0 HB3 ARG B 4 11.509 -13.842 -3.973 1.00 0.00 H new ATOM 0 HG2 ARG B 4 11.750 -11.631 -2.719 1.00 0.00 H new ATOM 0 HG3 ARG B 4 11.720 -12.535 -1.218 1.00 0.00 H new ATOM 0 HD2 ARG B 4 13.680 -13.927 -2.127 1.00 0.00 H new ATOM 0 HD3 ARG B 4 13.770 -12.805 -3.470 1.00 0.00 H new ATOM 0 HE ARG B 4 14.453 -11.044 -1.982 1.00 0.00 H new ATOM 0 HH11 ARG B 4 14.182 -14.130 -0.265 1.00 0.00 H new ATOM 0 HH12 ARG B 4 15.167 -13.541 1.079 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.685 -10.405 -0.251 1.00 0.00 H new ATOM 0 HH22 ARG B 4 15.981 -11.521 1.087 1.00 0.00 H new ATOM 904 N GLU B 5 9.332 -12.495 -5.242 1.00 0.00 N ATOM 905 CA GLU B 5 9.063 -11.501 -6.289 1.00 0.00 C ATOM 906 C GLU B 5 7.609 -10.976 -6.241 1.00 0.00 C ATOM 907 O GLU B 5 7.358 -9.791 -6.467 1.00 0.00 O ATOM 908 CB GLU B 5 9.393 -12.143 -7.647 1.00 0.00 C ATOM 909 CG GLU B 5 9.538 -11.149 -8.801 1.00 0.00 C ATOM 910 CD GLU B 5 10.839 -10.326 -8.705 1.00 0.00 C ATOM 911 OE1 GLU B 5 11.880 -10.763 -9.252 1.00 0.00 O ATOM 912 OE2 GLU B 5 10.831 -9.231 -8.091 1.00 0.00 O ATOM 0 H GLU B 5 9.503 -13.432 -5.608 1.00 0.00 H new ATOM 0 HA GLU B 5 9.692 -10.626 -6.128 1.00 0.00 H new ATOM 0 HB2 GLU B 5 10.321 -12.707 -7.552 1.00 0.00 H new ATOM 0 HB3 GLU B 5 8.609 -12.858 -7.897 1.00 0.00 H new ATOM 0 HG2 GLU B 5 9.522 -11.690 -9.747 1.00 0.00 H new ATOM 0 HG3 GLU B 5 8.683 -10.473 -8.805 1.00 0.00 H new ATOM 919 N LEU B 6 6.658 -11.850 -5.893 1.00 0.00 N ATOM 920 CA LEU B 6 5.235 -11.560 -5.702 1.00 0.00 C ATOM 921 C LEU B 6 4.985 -10.627 -4.506 1.00 0.00 C ATOM 922 O LEU B 6 4.419 -9.547 -4.674 1.00 0.00 O ATOM 923 CB LEU B 6 4.485 -12.906 -5.545 1.00 0.00 C ATOM 924 CG LEU B 6 3.622 -13.260 -6.761 1.00 0.00 C ATOM 925 CD1 LEU B 6 4.407 -13.401 -8.072 1.00 0.00 C ATOM 926 CD2 LEU B 6 2.894 -14.586 -6.528 1.00 0.00 C ATOM 0 H LEU B 6 6.874 -12.833 -5.728 1.00 0.00 H new ATOM 0 HA LEU B 6 4.857 -11.025 -6.573 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.211 -13.702 -5.378 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.852 -12.861 -4.659 1.00 0.00 H new ATOM 0 HG LEU B 6 2.932 -12.423 -6.866 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.721 -13.652 -8.881 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.908 -12.460 -8.299 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.150 -14.191 -7.968 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.285 -14.825 -7.400 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.625 -15.379 -6.368 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.253 -14.500 -5.650 1.00 0.00 H new ATOM 938 N LEU B 7 5.425 -11.028 -3.307 1.00 0.00 N ATOM 939 CA LEU B 7 5.300 -10.228 -2.078 1.00 0.00 C ATOM 940 C LEU B 7 5.966 -8.841 -2.191 1.00 0.00 C ATOM 941 O LEU B 7 5.371 -7.832 -1.797 1.00 0.00 O ATOM 942 CB LEU B 7 5.883 -10.976 -0.856 1.00 0.00 C ATOM 943 CG LEU B 7 4.923 -11.969 -0.163 1.00 0.00 C ATOM 944 CD1 LEU B 7 5.141 -13.410 -0.614 1.00 0.00 C ATOM 945 CD2 LEU B 7 5.125 -11.947 1.353 1.00 0.00 C ATOM 0 H LEU B 7 5.883 -11.927 -3.159 1.00 0.00 H new ATOM 0 HA LEU B 7 4.230 -10.075 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU B 7 6.772 -11.520 -1.175 1.00 0.00 H new ATOM 0 HB3 LEU B 7 6.207 -10.239 -0.122 1.00 0.00 H new ATOM 0 HG LEU B 7 3.919 -11.647 -0.440 1.00 0.00 H new ATOM 0 HD11 LEU B 7 4.440 -14.064 -0.095 1.00 0.00 H new ATOM 0 HD12 LEU B 7 4.978 -13.483 -1.689 1.00 0.00 H new ATOM 0 HD13 LEU B 7 6.161 -13.714 -0.380 1.00 0.00 H new ATOM 0 HD21 LEU B 7 4.440 -12.653 1.822 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.152 -12.228 1.587 1.00 0.00 H new ATOM 0 HD23 LEU B 7 4.928 -10.944 1.732 1.00 0.00 H new ATOM 957 N LYS B 8 7.200 -8.779 -2.714 1.00 0.00 N ATOM 958 CA LYS B 8 8.030 -7.561 -2.791 1.00 0.00 C ATOM 959 C LYS B 8 7.597 -6.628 -3.931 1.00 0.00 C ATOM 960 O LYS B 8 8.230 -6.545 -4.985 1.00 0.00 O ATOM 961 CB LYS B 8 9.514 -7.962 -2.840 1.00 0.00 C ATOM 962 CG LYS B 8 10.481 -6.765 -2.756 1.00 0.00 C ATOM 963 CD LYS B 8 11.841 -7.155 -2.149 1.00 0.00 C ATOM 964 CE LYS B 8 11.787 -7.364 -0.621 1.00 0.00 C ATOM 965 NZ LYS B 8 11.615 -6.082 0.118 1.00 0.00 N ATOM 0 H LYS B 8 7.664 -9.598 -3.107 1.00 0.00 H new ATOM 0 HA LYS B 8 7.880 -6.965 -1.891 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.724 -8.646 -2.018 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.704 -8.507 -3.765 1.00 0.00 H new ATOM 0 HG2 LYS B 8 10.635 -6.354 -3.754 1.00 0.00 H new ATOM 0 HG3 LYS B 8 10.029 -5.977 -2.153 1.00 0.00 H new ATOM 0 HD2 LYS B 8 12.194 -8.071 -2.622 1.00 0.00 H new ATOM 0 HD3 LYS B 8 12.570 -6.377 -2.377 1.00 0.00 H new ATOM 0 HE2 LYS B 8 10.963 -8.035 -0.377 1.00 0.00 H new ATOM 0 HE3 LYS B 8 12.704 -7.851 -0.290 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 11.652 -6.264 1.141 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 12.377 -5.425 -0.145 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 10.696 -5.661 -0.126 1.00 0.00 H new ATOM 979 N GLY B 9 6.487 -5.931 -3.702 1.00 0.00 N ATOM 980 CA GLY B 9 5.901 -4.970 -4.621 1.00 0.00 C ATOM 981 C GLY B 9 4.457 -4.597 -4.325 1.00 0.00 C ATOM 982 O GLY B 9 4.087 -3.428 -4.402 1.00 0.00 O ATOM 0 H GLY B 9 5.954 -6.027 -2.838 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.505 -4.063 -4.608 1.00 0.00 H new ATOM 0 HA3 GLY B 9 5.956 -5.376 -5.631 1.00 0.00 H new ATOM 986 N GLU B 10 3.651 -5.562 -3.890 1.00 0.00 N ATOM 987 CA GLU B 10 2.278 -5.290 -3.436 1.00 0.00 C ATOM 988 C GLU B 10 2.283 -4.397 -2.180 1.00 0.00 C ATOM 989 O GLU B 10 1.452 -3.501 -2.048 1.00 0.00 O ATOM 990 CB GLU B 10 1.519 -6.603 -3.178 1.00 0.00 C ATOM 991 CG GLU B 10 1.466 -7.537 -4.402 1.00 0.00 C ATOM 992 CD GLU B 10 0.043 -7.983 -4.774 1.00 0.00 C ATOM 993 OE1 GLU B 10 -0.920 -8.178 -4.009 1.00 0.00 O ATOM 994 OE2 GLU B 10 -0.444 -7.950 -5.916 1.00 0.00 O ATOM 0 H GLU B 10 3.920 -6.544 -3.840 1.00 0.00 H new ATOM 0 HA GLU B 10 1.758 -4.751 -4.228 1.00 0.00 H new ATOM 0 HB2 GLU B 10 1.993 -7.130 -2.350 1.00 0.00 H new ATOM 0 HB3 GLU B 10 0.501 -6.369 -2.866 1.00 0.00 H new ATOM 0 HG2 GLU B 10 1.913 -7.029 -5.256 1.00 0.00 H new ATOM 0 HG3 GLU B 10 2.074 -8.419 -4.202 1.00 0.00 H new ATOM 1001 N LEU B 11 3.278 -4.575 -1.297 1.00 0.00 N ATOM 1002 CA LEU B 11 3.527 -3.805 -0.078 1.00 0.00 C ATOM 1003 C LEU B 11 3.905 -2.347 -0.405 1.00 0.00 C ATOM 1004 O LEU B 11 3.417 -1.402 0.215 1.00 0.00 O ATOM 1005 CB LEU B 11 4.604 -4.617 0.687 1.00 0.00 C ATOM 1006 CG LEU B 11 5.598 -3.820 1.535 1.00 0.00 C ATOM 1007 CD1 LEU B 11 4.950 -3.150 2.747 1.00 0.00 C ATOM 1008 CD2 LEU B 11 6.714 -4.737 2.036 1.00 0.00 C ATOM 0 H LEU B 11 3.973 -5.310 -1.428 1.00 0.00 H new ATOM 0 HA LEU B 11 2.647 -3.686 0.553 1.00 0.00 H new ATOM 0 HB2 LEU B 11 4.095 -5.327 1.339 1.00 0.00 H new ATOM 0 HB3 LEU B 11 5.169 -5.200 -0.040 1.00 0.00 H new ATOM 0 HG LEU B 11 5.992 -3.038 0.886 1.00 0.00 H new ATOM 0 HD11 LEU B 11 5.707 -2.601 3.307 1.00 0.00 H new ATOM 0 HD12 LEU B 11 4.176 -2.460 2.411 1.00 0.00 H new ATOM 0 HD13 LEU B 11 4.505 -3.911 3.388 1.00 0.00 H new ATOM 0 HD21 LEU B 11 7.416 -4.160 2.638 1.00 0.00 H new ATOM 0 HD22 LEU B 11 6.285 -5.534 2.643 1.00 0.00 H new ATOM 0 HD23 LEU B 11 7.238 -5.171 1.184 1.00 0.00 H new ATOM 1020 N GLN B 12 4.713 -2.171 -1.449 1.00 0.00 N ATOM 1021 CA GLN B 12 5.077 -0.878 -2.029 1.00 0.00 C ATOM 1022 C GLN B 12 3.844 -0.156 -2.616 1.00 0.00 C ATOM 1023 O GLN B 12 3.795 1.072 -2.658 1.00 0.00 O ATOM 1024 CB GLN B 12 6.189 -1.112 -3.070 1.00 0.00 C ATOM 1025 CG GLN B 12 6.957 0.160 -3.467 1.00 0.00 C ATOM 1026 CD GLN B 12 8.118 -0.117 -4.430 1.00 0.00 C ATOM 1027 OE1 GLN B 12 8.577 -1.237 -4.623 1.00 0.00 O ATOM 1028 NE2 GLN B 12 8.648 0.898 -5.081 1.00 0.00 N ATOM 0 H GLN B 12 5.149 -2.955 -1.933 1.00 0.00 H new ATOM 0 HA GLN B 12 5.459 -0.211 -1.256 1.00 0.00 H new ATOM 0 HB2 GLN B 12 6.896 -1.841 -2.673 1.00 0.00 H new ATOM 0 HB3 GLN B 12 5.747 -1.551 -3.965 1.00 0.00 H new ATOM 0 HG2 GLN B 12 6.267 0.864 -3.932 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.344 0.639 -2.568 1.00 0.00 H new ATOM 0 HE21 GLN B 12 8.285 1.841 -4.939 1.00 0.00 H new ATOM 0 HE22 GLN B 12 9.421 0.741 -5.727 1.00 0.00 H new ATOM 1037 N GLY B 13 2.814 -0.925 -2.996 1.00 0.00 N ATOM 1038 CA GLY B 13 1.501 -0.440 -3.415 1.00 0.00 C ATOM 1039 C GLY B 13 0.630 -0.019 -2.230 1.00 0.00 C ATOM 1040 O GLY B 13 0.063 1.068 -2.278 1.00 0.00 O ATOM 0 H GLY B 13 2.880 -1.943 -3.019 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.628 0.408 -4.089 1.00 0.00 H new ATOM 0 HA3 GLY B 13 0.991 -1.221 -3.978 1.00 0.00 H new ATOM 1044 N ILE B 14 0.590 -0.799 -1.133 1.00 0.00 N ATOM 1045 CA ILE B 14 -0.167 -0.443 0.095 1.00 0.00 C ATOM 1046 C ILE B 14 0.172 0.985 0.551 1.00 0.00 C ATOM 1047 O ILE B 14 -0.718 1.803 0.803 1.00 0.00 O ATOM 1048 CB ILE B 14 0.098 -1.435 1.260 1.00 0.00 C ATOM 1049 CG1 ILE B 14 -0.225 -2.909 0.942 1.00 0.00 C ATOM 1050 CG2 ILE B 14 -0.664 -1.026 2.538 1.00 0.00 C ATOM 1051 CD1 ILE B 14 -1.680 -3.196 0.568 1.00 0.00 C ATOM 0 H ILE B 14 1.078 -1.692 -1.067 1.00 0.00 H new ATOM 0 HA ILE B 14 -1.224 -0.503 -0.164 1.00 0.00 H new ATOM 0 HB ILE B 14 1.175 -1.371 1.418 1.00 0.00 H new ATOM 0 HG12 ILE B 14 0.414 -3.234 0.121 1.00 0.00 H new ATOM 0 HG13 ILE B 14 0.036 -3.516 1.809 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -0.455 -1.743 3.332 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -0.342 -0.033 2.852 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -1.735 -1.013 2.335 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -1.800 -4.260 0.364 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -2.331 -2.909 1.394 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -1.947 -2.624 -0.320 1.00 0.00 H new ATOM 1063 N LYS B 15 1.473 1.298 0.612 1.00 0.00 N ATOM 1064 CA LYS B 15 1.992 2.586 1.089 1.00 0.00 C ATOM 1065 C LYS B 15 1.685 3.758 0.150 1.00 0.00 C ATOM 1066 O LYS B 15 1.436 4.871 0.614 1.00 0.00 O ATOM 1067 CB LYS B 15 3.513 2.466 1.326 1.00 0.00 C ATOM 1068 CG LYS B 15 3.918 1.477 2.438 1.00 0.00 C ATOM 1069 CD LYS B 15 3.620 2.000 3.852 1.00 0.00 C ATOM 1070 CE LYS B 15 4.127 0.999 4.897 1.00 0.00 C ATOM 1071 NZ LYS B 15 4.002 1.534 6.280 1.00 0.00 N ATOM 0 H LYS B 15 2.208 0.651 0.326 1.00 0.00 H new ATOM 0 HA LYS B 15 1.478 2.813 2.023 1.00 0.00 H new ATOM 0 HB2 LYS B 15 3.989 2.158 0.395 1.00 0.00 H new ATOM 0 HB3 LYS B 15 3.907 3.452 1.575 1.00 0.00 H new ATOM 0 HG2 LYS B 15 3.390 0.535 2.287 1.00 0.00 H new ATOM 0 HG3 LYS B 15 4.983 1.262 2.354 1.00 0.00 H new ATOM 0 HD2 LYS B 15 4.100 2.967 4.000 1.00 0.00 H new ATOM 0 HD3 LYS B 15 2.548 2.154 3.974 1.00 0.00 H new ATOM 0 HE2 LYS B 15 3.563 0.070 4.814 1.00 0.00 H new ATOM 0 HE3 LYS B 15 5.170 0.758 4.693 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 4.355 0.829 6.958 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 4.560 2.407 6.366 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 3.003 1.740 6.483 1.00 0.00 H new ATOM 1085 N GLN B 16 1.666 3.508 -1.158 1.00 0.00 N ATOM 1086 CA GLN B 16 1.357 4.493 -2.192 1.00 0.00 C ATOM 1087 C GLN B 16 -0.138 4.783 -2.275 1.00 0.00 C ATOM 1088 O GLN B 16 -0.546 5.944 -2.344 1.00 0.00 O ATOM 1089 CB GLN B 16 1.867 3.949 -3.536 1.00 0.00 C ATOM 1090 CG GLN B 16 3.378 4.127 -3.735 1.00 0.00 C ATOM 1091 CD GLN B 16 3.744 5.567 -4.092 1.00 0.00 C ATOM 1092 OE1 GLN B 16 4.134 6.367 -3.255 1.00 0.00 O ATOM 1093 NE2 GLN B 16 3.629 5.946 -5.350 1.00 0.00 N ATOM 0 H GLN B 16 1.872 2.585 -1.539 1.00 0.00 H new ATOM 0 HA GLN B 16 1.848 5.434 -1.944 1.00 0.00 H new ATOM 0 HB2 GLN B 16 1.622 2.889 -3.607 1.00 0.00 H new ATOM 0 HB3 GLN B 16 1.340 4.453 -4.346 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.900 3.836 -2.824 1.00 0.00 H new ATOM 0 HG3 GLN B 16 3.720 3.459 -4.526 1.00 0.00 H new ATOM 0 HE21 GLN B 16 3.304 5.284 -6.054 1.00 0.00 H new ATOM 0 HE22 GLN B 16 3.865 6.901 -5.618 1.00 0.00 H new ATOM 1102 N TYR B 17 -0.964 3.741 -2.218 1.00 0.00 N ATOM 1103 CA TYR B 17 -2.409 3.869 -2.282 1.00 0.00 C ATOM 1104 C TYR B 17 -2.984 4.698 -1.137 1.00 0.00 C ATOM 1105 O TYR B 17 -3.967 5.412 -1.351 1.00 0.00 O ATOM 1106 CB TYR B 17 -3.055 2.486 -2.294 1.00 0.00 C ATOM 1107 CG TYR B 17 -2.996 1.747 -3.621 1.00 0.00 C ATOM 1108 CD1 TYR B 17 -3.359 2.400 -4.819 1.00 0.00 C ATOM 1109 CD2 TYR B 17 -2.614 0.391 -3.657 1.00 0.00 C ATOM 1110 CE1 TYR B 17 -3.311 1.712 -6.043 1.00 0.00 C ATOM 1111 CE2 TYR B 17 -2.570 -0.302 -4.881 1.00 0.00 C ATOM 1112 CZ TYR B 17 -2.921 0.358 -6.077 1.00 0.00 C ATOM 1113 OH TYR B 17 -2.956 -0.319 -7.254 1.00 0.00 O ATOM 0 H TYR B 17 -0.642 2.778 -2.125 1.00 0.00 H new ATOM 0 HA TYR B 17 -2.638 4.399 -3.206 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -2.571 1.872 -1.534 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -4.100 2.590 -2.002 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -3.675 3.432 -4.794 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -2.354 -0.119 -2.741 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -3.573 2.221 -6.959 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.268 -1.339 -4.905 1.00 0.00 H new ATOM 0 HH TYR B 17 -2.786 -1.270 -7.090 1.00 0.00 H new ATOM 1123 N ARG B 18 -2.373 4.661 0.060 1.00 0.00 N ATOM 1124 CA ARG B 18 -2.884 5.486 1.166 1.00 0.00 C ATOM 1125 C ARG B 18 -2.630 6.990 0.965 1.00 0.00 C ATOM 1126 O ARG B 18 -3.356 7.806 1.531 1.00 0.00 O ATOM 1127 CB ARG B 18 -2.395 4.995 2.544 1.00 0.00 C ATOM 1128 CG ARG B 18 -3.577 4.454 3.367 1.00 0.00 C ATOM 1129 CD ARG B 18 -3.274 4.422 4.873 1.00 0.00 C ATOM 1130 NE ARG B 18 -4.431 3.918 5.646 1.00 0.00 N ATOM 1131 CZ ARG B 18 -5.553 4.563 5.925 1.00 0.00 C ATOM 1132 NH1 ARG B 18 -5.791 5.784 5.537 1.00 0.00 N ATOM 1133 NH2 ARG B 18 -6.489 3.971 6.619 1.00 0.00 N ATOM 0 H ARG B 18 -1.556 4.092 0.282 1.00 0.00 H new ATOM 0 HA ARG B 18 -3.966 5.357 1.152 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -1.645 4.214 2.415 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -1.914 5.813 3.080 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -4.455 5.075 3.189 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -3.823 3.448 3.027 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -2.407 3.788 5.058 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -3.015 5.424 5.215 1.00 0.00 H new ATOM 0 HE ARG B 18 -4.355 2.966 6.004 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -5.095 6.290 4.990 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -6.674 6.234 5.780 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -6.354 3.014 6.945 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -7.354 4.466 6.835 1.00 0.00 H new ATOM 1147 N GLU B 19 -1.643 7.364 0.138 1.00 0.00 N ATOM 1148 CA GLU B 19 -1.354 8.766 -0.218 1.00 0.00 C ATOM 1149 C GLU B 19 -2.119 9.223 -1.476 1.00 0.00 C ATOM 1150 O GLU B 19 -2.497 10.383 -1.611 1.00 0.00 O ATOM 1151 CB GLU B 19 0.158 8.922 -0.428 1.00 0.00 C ATOM 1152 CG GLU B 19 0.621 10.351 -0.118 1.00 0.00 C ATOM 1153 CD GLU B 19 2.144 10.469 -0.247 1.00 0.00 C ATOM 1154 OE1 GLU B 19 2.875 10.038 0.677 1.00 0.00 O ATOM 1155 OE2 GLU B 19 2.637 11.018 -1.261 1.00 0.00 O ATOM 0 H GLU B 19 -1.015 6.696 -0.309 1.00 0.00 H new ATOM 0 HA GLU B 19 -1.691 9.402 0.601 1.00 0.00 H new ATOM 0 HB2 GLU B 19 0.690 8.218 0.212 1.00 0.00 H new ATOM 0 HB3 GLU B 19 0.412 8.671 -1.458 1.00 0.00 H new ATOM 0 HG2 GLU B 19 0.138 11.051 -0.800 1.00 0.00 H new ATOM 0 HG3 GLU B 19 0.314 10.627 0.891 1.00 0.00 H new ATOM 1162 N ALA B 20 -2.364 8.307 -2.412 1.00 0.00 N ATOM 1163 CA ALA B 20 -3.070 8.532 -3.673 1.00 0.00 C ATOM 1164 C ALA B 20 -4.508 9.055 -3.495 1.00 0.00 C ATOM 1165 O ALA B 20 -4.948 9.881 -4.295 1.00 0.00 O ATOM 1166 CB ALA B 20 -3.041 7.228 -4.480 1.00 0.00 C ATOM 0 H ALA B 20 -2.060 7.339 -2.306 1.00 0.00 H new ATOM 0 HA ALA B 20 -2.554 9.326 -4.213 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -3.563 7.374 -5.426 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -2.007 6.944 -4.676 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -3.533 6.438 -3.912 1.00 0.00 H new ATOM 1172 N LEU B 21 -5.237 8.653 -2.440 1.00 0.00 N ATOM 1173 CA LEU B 21 -6.560 9.226 -2.119 1.00 0.00 C ATOM 1174 C LEU B 21 -6.481 10.721 -1.779 1.00 0.00 C ATOM 1175 O LEU B 21 -7.448 11.442 -2.008 1.00 0.00 O ATOM 1176 CB LEU B 21 -7.266 8.408 -1.023 1.00 0.00 C ATOM 1177 CG LEU B 21 -8.724 8.823 -0.719 1.00 0.00 C ATOM 1178 CD1 LEU B 21 -9.574 7.594 -0.392 1.00 0.00 C ATOM 1179 CD2 LEU B 21 -8.821 9.762 0.489 1.00 0.00 C ATOM 0 H LEU B 21 -4.932 7.929 -1.790 1.00 0.00 H new ATOM 0 HA LEU B 21 -7.173 9.158 -3.018 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -7.259 7.358 -1.316 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -6.685 8.486 -0.104 1.00 0.00 H new ATOM 0 HG LEU B 21 -9.084 9.333 -1.613 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -10.597 7.905 -0.181 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -9.570 6.912 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -9.161 7.088 0.481 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -9.864 10.025 0.662 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -8.421 9.262 1.371 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -8.246 10.667 0.293 1.00 0.00 H new ATOM 1191 N GLU B 22 -5.337 11.223 -1.301 1.00 0.00 N ATOM 1192 CA GLU B 22 -5.188 12.657 -0.996 1.00 0.00 C ATOM 1193 C GLU B 22 -5.235 13.544 -2.255 1.00 0.00 C ATOM 1194 O GLU B 22 -5.657 14.700 -2.184 1.00 0.00 O ATOM 1195 CB GLU B 22 -3.894 12.905 -0.205 1.00 0.00 C ATOM 1196 CG GLU B 22 -4.131 13.671 1.105 1.00 0.00 C ATOM 1197 CD GLU B 22 -4.885 12.818 2.146 1.00 0.00 C ATOM 1198 OE1 GLU B 22 -4.235 12.041 2.886 1.00 0.00 O ATOM 1199 OE2 GLU B 22 -6.130 12.939 2.252 1.00 0.00 O ATOM 0 H GLU B 22 -4.504 10.665 -1.117 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.043 12.941 -0.383 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -3.423 11.948 0.020 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -3.196 13.466 -0.827 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -3.173 13.985 1.519 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -4.701 14.577 0.897 1.00 0.00 H new ATOM 1206 N TYR B 23 -4.855 12.987 -3.409 1.00 0.00 N ATOM 1207 CA TYR B 23 -5.072 13.586 -4.732 1.00 0.00 C ATOM 1208 C TYR B 23 -6.406 13.159 -5.370 1.00 0.00 C ATOM 1209 O TYR B 23 -7.185 14.012 -5.804 1.00 0.00 O ATOM 1210 CB TYR B 23 -3.904 13.205 -5.656 1.00 0.00 C ATOM 1211 CG TYR B 23 -2.664 14.055 -5.445 1.00 0.00 C ATOM 1212 CD1 TYR B 23 -2.561 15.297 -6.104 1.00 0.00 C ATOM 1213 CD2 TYR B 23 -1.630 13.625 -4.589 1.00 0.00 C ATOM 1214 CE1 TYR B 23 -1.428 16.111 -5.913 1.00 0.00 C ATOM 1215 CE2 TYR B 23 -0.495 14.438 -4.397 1.00 0.00 C ATOM 1216 CZ TYR B 23 -0.390 15.683 -5.057 1.00 0.00 C ATOM 1217 OH TYR B 23 0.708 16.467 -4.863 1.00 0.00 O ATOM 0 H TYR B 23 -4.377 12.087 -3.452 1.00 0.00 H new ATOM 0 HA TYR B 23 -5.119 14.667 -4.599 1.00 0.00 H new ATOM 0 HB2 TYR B 23 -3.649 12.158 -5.494 1.00 0.00 H new ATOM 0 HB3 TYR B 23 -4.226 13.297 -6.693 1.00 0.00 H new ATOM 0 HD1 TYR B 23 -3.355 15.626 -6.758 1.00 0.00 H new ATOM 0 HD2 TYR B 23 -1.707 12.675 -4.082 1.00 0.00 H new ATOM 0 HE1 TYR B 23 -1.353 17.061 -6.421 1.00 0.00 H new ATOM 0 HE2 TYR B 23 0.298 14.108 -3.742 1.00 0.00 H new ATOM 0 HH TYR B 23 1.323 16.021 -4.244 1.00 0.00 H new ATOM 1227 N THR B 24 -6.683 11.854 -5.441 1.00 0.00 N ATOM 1228 CA THR B 24 -7.798 11.289 -6.232 1.00 0.00 C ATOM 1229 C THR B 24 -9.175 11.395 -5.563 1.00 0.00 C ATOM 1230 O THR B 24 -10.190 11.381 -6.262 1.00 0.00 O ATOM 1231 CB THR B 24 -7.556 9.812 -6.573 1.00 0.00 C ATOM 1232 OG1 THR B 24 -7.416 9.055 -5.402 1.00 0.00 O ATOM 1233 CG2 THR B 24 -6.306 9.582 -7.426 1.00 0.00 C ATOM 0 H THR B 24 -6.138 11.146 -4.948 1.00 0.00 H new ATOM 0 HA THR B 24 -7.815 11.904 -7.132 1.00 0.00 H new ATOM 0 HB THR B 24 -8.428 9.500 -7.148 1.00 0.00 H new ATOM 0 HG1 THR B 24 -6.526 9.205 -5.020 1.00 0.00 H new ATOM 0 HG21 THR B 24 -6.195 8.517 -7.630 1.00 0.00 H new ATOM 0 HG22 THR B 24 -6.403 10.123 -8.367 1.00 0.00 H new ATOM 0 HG23 THR B 24 -5.428 9.942 -6.889 1.00 0.00 H new ATOM 1241 N HIS B 25 -9.221 11.521 -4.230 1.00 0.00 N ATOM 1242 CA HIS B 25 -10.422 11.631 -3.383 1.00 0.00 C ATOM 1243 C HIS B 25 -11.584 10.660 -3.743 1.00 0.00 C ATOM 1244 O HIS B 25 -12.750 11.060 -3.748 1.00 0.00 O ATOM 1245 CB HIS B 25 -10.822 13.116 -3.247 1.00 0.00 C ATOM 1246 CG HIS B 25 -10.037 13.798 -2.147 1.00 0.00 C ATOM 1247 ND1 HIS B 25 -10.388 13.833 -0.806 1.00 0.00 N ATOM 1248 CD2 HIS B 25 -8.815 14.398 -2.269 1.00 0.00 C ATOM 1249 CE1 HIS B 25 -9.396 14.449 -0.129 1.00 0.00 C ATOM 1250 NE2 HIS B 25 -8.435 14.808 -1.003 1.00 0.00 N ATOM 0 H HIS B 25 -8.365 11.551 -3.676 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.158 11.267 -2.390 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -10.649 13.630 -4.193 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -11.889 13.190 -3.035 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -8.252 14.528 -3.181 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.376 14.625 0.936 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -7.572 15.300 -0.770 1.00 0.00 H new ATOM 1259 N ASN B 26 -11.286 9.387 -4.051 1.00 0.00 N ATOM 1260 CA ASN B 26 -12.244 8.444 -4.671 1.00 0.00 C ATOM 1261 C ASN B 26 -12.551 7.182 -3.818 1.00 0.00 C ATOM 1262 O ASN B 26 -11.659 6.669 -3.139 1.00 0.00 O ATOM 1263 CB ASN B 26 -11.720 8.072 -6.084 1.00 0.00 C ATOM 1264 CG ASN B 26 -12.555 8.669 -7.214 1.00 0.00 C ATOM 1265 OD1 ASN B 26 -13.093 9.762 -7.135 1.00 0.00 O ATOM 1266 ND2 ASN B 26 -12.725 7.949 -8.302 1.00 0.00 N ATOM 0 H ASN B 26 -10.369 8.976 -3.877 1.00 0.00 H new ATOM 0 HA ASN B 26 -13.206 8.951 -4.741 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -10.690 8.414 -6.183 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -11.707 6.987 -6.185 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -13.300 8.306 -9.065 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -12.282 7.034 -8.382 1.00 0.00 H new ATOM 1273 N PRO B 27 -13.775 6.606 -3.920 1.00 0.00 N ATOM 1274 CA PRO B 27 -14.212 5.398 -3.188 1.00 0.00 C ATOM 1275 C PRO B 27 -13.666 4.077 -3.773 1.00 0.00 C ATOM 1276 O PRO B 27 -14.042 2.984 -3.348 1.00 0.00 O ATOM 1277 CB PRO B 27 -15.745 5.438 -3.266 1.00 0.00 C ATOM 1278 CG PRO B 27 -15.994 6.050 -4.641 1.00 0.00 C ATOM 1279 CD PRO B 27 -14.883 7.094 -4.742 1.00 0.00 C ATOM 0 HA PRO B 27 -13.827 5.411 -2.168 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -16.181 4.443 -3.181 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -16.176 6.044 -2.469 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -15.926 5.306 -5.435 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -16.983 6.502 -4.711 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -14.568 7.226 -5.777 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.230 8.065 -4.388 1.00 0.00 H new ATOM 1287 N VAL B 28 -12.806 4.167 -4.789 1.00 0.00 N ATOM 1288 CA VAL B 28 -12.235 3.032 -5.535 1.00 0.00 C ATOM 1289 C VAL B 28 -10.970 2.490 -4.877 1.00 0.00 C ATOM 1290 O VAL B 28 -10.723 1.286 -4.910 1.00 0.00 O ATOM 1291 CB VAL B 28 -11.983 3.448 -6.994 1.00 0.00 C ATOM 1292 CG1 VAL B 28 -11.772 2.215 -7.859 1.00 0.00 C ATOM 1293 CG2 VAL B 28 -13.148 4.229 -7.628 1.00 0.00 C ATOM 0 H VAL B 28 -12.471 5.067 -5.133 1.00 0.00 H new ATOM 0 HA VAL B 28 -12.957 2.215 -5.522 1.00 0.00 H new ATOM 0 HB VAL B 28 -11.105 4.092 -6.958 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -11.594 2.520 -8.890 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.911 1.656 -7.492 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -12.659 1.584 -7.815 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -12.896 4.487 -8.657 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -14.047 3.613 -7.619 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -13.327 5.141 -7.059 1.00 0.00 H new ATOM 1303 N LEU B 29 -10.198 3.328 -4.183 1.00 0.00 N ATOM 1304 CA LEU B 29 -9.047 2.876 -3.409 1.00 0.00 C ATOM 1305 C LEU B 29 -9.480 1.979 -2.237 1.00 0.00 C ATOM 1306 O LEU B 29 -8.815 0.985 -1.956 1.00 0.00 O ATOM 1307 CB LEU B 29 -8.222 4.094 -2.973 1.00 0.00 C ATOM 1308 CG LEU B 29 -7.607 4.847 -4.171 1.00 0.00 C ATOM 1309 CD1 LEU B 29 -8.468 6.027 -4.631 1.00 0.00 C ATOM 1310 CD2 LEU B 29 -6.225 5.386 -3.819 1.00 0.00 C ATOM 0 H LEU B 29 -10.355 4.335 -4.143 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.406 2.250 -4.029 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -8.857 4.775 -2.406 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -7.425 3.769 -2.304 1.00 0.00 H new ATOM 0 HG LEU B 29 -7.545 4.119 -4.980 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -7.988 6.520 -5.476 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -9.451 5.665 -4.933 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -8.579 6.737 -3.812 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -5.810 5.913 -4.678 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -6.306 6.073 -2.976 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.569 4.558 -3.550 1.00 0.00 H new ATOM 1322 N ALA B 30 -10.671 2.226 -1.676 1.00 0.00 N ATOM 1323 CA ALA B 30 -11.389 1.343 -0.747 1.00 0.00 C ATOM 1324 C ALA B 30 -11.826 -0.023 -1.346 1.00 0.00 C ATOM 1325 O ALA B 30 -12.514 -0.798 -0.680 1.00 0.00 O ATOM 1326 CB ALA B 30 -12.582 2.126 -0.182 1.00 0.00 C ATOM 0 H ALA B 30 -11.184 3.087 -1.866 1.00 0.00 H new ATOM 0 HA ALA B 30 -10.695 1.060 0.044 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -13.136 1.494 0.513 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -12.221 3.012 0.341 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -13.238 2.429 -0.998 1.00 0.00 H new ATOM 1332 N LYS B 31 -11.413 -0.337 -2.583 1.00 0.00 N ATOM 1333 CA LYS B 31 -11.494 -1.647 -3.238 1.00 0.00 C ATOM 1334 C LYS B 31 -10.113 -2.109 -3.703 1.00 0.00 C ATOM 1335 O LYS B 31 -9.722 -3.237 -3.419 1.00 0.00 O ATOM 1336 CB LYS B 31 -12.473 -1.607 -4.430 1.00 0.00 C ATOM 1337 CG LYS B 31 -13.869 -1.053 -4.100 1.00 0.00 C ATOM 1338 CD LYS B 31 -14.745 -1.006 -5.363 1.00 0.00 C ATOM 1339 CE LYS B 31 -16.158 -0.488 -5.058 1.00 0.00 C ATOM 1340 NZ LYS B 31 -16.173 0.955 -4.684 1.00 0.00 N ATOM 0 H LYS B 31 -10.987 0.363 -3.190 1.00 0.00 H new ATOM 0 HA LYS B 31 -11.870 -2.363 -2.507 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -12.034 -1.000 -5.222 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -12.583 -2.617 -4.826 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -14.345 -1.678 -3.344 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -13.778 -0.053 -3.676 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -14.275 -0.363 -6.108 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -14.810 -2.003 -5.798 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -16.793 -0.639 -5.931 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -16.588 -1.074 -4.246 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -17.152 1.257 -4.505 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -15.604 1.097 -3.825 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -15.773 1.519 -5.461 1.00 0.00 H new ATOM 1354 N ILE B 32 -9.345 -1.219 -4.339 1.00 0.00 N ATOM 1355 CA ILE B 32 -7.983 -1.505 -4.833 1.00 0.00 C ATOM 1356 C ILE B 32 -7.049 -1.877 -3.678 1.00 0.00 C ATOM 1357 O ILE B 32 -6.645 -3.036 -3.575 1.00 0.00 O ATOM 1358 CB ILE B 32 -7.425 -0.331 -5.672 1.00 0.00 C ATOM 1359 CG1 ILE B 32 -8.302 0.042 -6.890 1.00 0.00 C ATOM 1360 CG2 ILE B 32 -6.027 -0.700 -6.192 1.00 0.00 C ATOM 1361 CD1 ILE B 32 -8.089 1.505 -7.305 1.00 0.00 C ATOM 0 H ILE B 32 -9.651 -0.265 -4.531 1.00 0.00 H new ATOM 0 HA ILE B 32 -8.042 -2.367 -5.497 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.405 0.532 -5.007 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -8.063 -0.614 -7.727 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.352 -0.120 -6.648 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.630 0.124 -6.784 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.364 -0.893 -5.348 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -6.094 -1.593 -6.813 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -8.720 1.735 -8.164 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.352 2.161 -6.475 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -7.043 1.659 -7.571 1.00 0.00 H new ATOM 1373 N LEU B 33 -6.736 -0.934 -2.781 1.00 0.00 N ATOM 1374 CA LEU B 33 -5.853 -1.211 -1.643 1.00 0.00 C ATOM 1375 C LEU B 33 -6.504 -2.168 -0.642 1.00 0.00 C ATOM 1376 O LEU B 33 -5.800 -2.925 0.025 1.00 0.00 O ATOM 1377 CB LEU B 33 -5.294 0.089 -1.035 1.00 0.00 C ATOM 1378 CG LEU B 33 -6.103 0.787 0.075 1.00 0.00 C ATOM 1379 CD1 LEU B 33 -5.861 0.210 1.474 1.00 0.00 C ATOM 1380 CD2 LEU B 33 -5.746 2.272 0.166 1.00 0.00 C ATOM 0 H LEU B 33 -7.081 0.025 -2.821 1.00 0.00 H new ATOM 0 HA LEU B 33 -4.976 -1.749 -2.003 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -4.304 -0.130 -0.636 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -5.159 0.804 -1.847 1.00 0.00 H new ATOM 0 HG LEU B 33 -7.143 0.627 -0.211 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -6.465 0.753 2.201 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -6.139 -0.844 1.486 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -4.807 0.310 1.731 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.332 2.739 0.957 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -4.684 2.378 0.390 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.967 2.758 -0.784 1.00 0.00 H new ATOM 1392 N GLU B 34 -7.841 -2.182 -0.583 1.00 0.00 N ATOM 1393 CA GLU B 34 -8.566 -3.155 0.234 1.00 0.00 C ATOM 1394 C GLU B 34 -8.292 -4.604 -0.209 1.00 0.00 C ATOM 1395 O GLU B 34 -8.150 -5.485 0.641 1.00 0.00 O ATOM 1396 CB GLU B 34 -10.069 -2.833 0.285 1.00 0.00 C ATOM 1397 CG GLU B 34 -10.784 -3.692 1.339 1.00 0.00 C ATOM 1398 CD GLU B 34 -12.242 -3.250 1.577 1.00 0.00 C ATOM 1399 OE1 GLU B 34 -12.474 -2.348 2.420 1.00 0.00 O ATOM 1400 OE2 GLU B 34 -13.168 -3.851 0.980 1.00 0.00 O ATOM 0 H GLU B 34 -8.439 -1.531 -1.091 1.00 0.00 H new ATOM 0 HA GLU B 34 -8.186 -3.072 1.252 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -10.210 -1.777 0.516 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -10.515 -3.008 -0.694 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -10.772 -4.735 1.021 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -10.234 -3.639 2.279 1.00 0.00 H new ATOM 1407 N ASP B 35 -8.145 -4.872 -1.515 1.00 0.00 N ATOM 1408 CA ASP B 35 -7.761 -6.201 -1.986 1.00 0.00 C ATOM 1409 C ASP B 35 -6.281 -6.519 -1.800 1.00 0.00 C ATOM 1410 O ASP B 35 -5.963 -7.607 -1.319 1.00 0.00 O ATOM 1411 CB ASP B 35 -8.130 -6.382 -3.452 1.00 0.00 C ATOM 1412 CG ASP B 35 -9.637 -6.426 -3.753 1.00 0.00 C ATOM 1413 OD1 ASP B 35 -10.429 -6.911 -2.896 1.00 0.00 O ATOM 1414 OD2 ASP B 35 -9.992 -6.021 -4.888 1.00 0.00 O ATOM 0 H ASP B 35 -8.287 -4.186 -2.257 1.00 0.00 H new ATOM 0 HA ASP B 35 -8.320 -6.900 -1.363 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -7.686 -5.567 -4.024 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -7.678 -7.307 -3.811 1.00 0.00 H new ATOM 1419 N GLU B 36 -5.368 -5.592 -2.104 1.00 0.00 N ATOM 1420 CA GLU B 36 -3.937 -5.816 -1.868 1.00 0.00 C ATOM 1421 C GLU B 36 -3.612 -6.155 -0.398 1.00 0.00 C ATOM 1422 O GLU B 36 -2.618 -6.826 -0.122 1.00 0.00 O ATOM 1423 CB GLU B 36 -3.130 -4.585 -2.292 1.00 0.00 C ATOM 1424 CG GLU B 36 -3.339 -4.086 -3.725 1.00 0.00 C ATOM 1425 CD GLU B 36 -3.016 -5.075 -4.845 1.00 0.00 C ATOM 1426 OE1 GLU B 36 -2.533 -6.210 -4.629 1.00 0.00 O ATOM 1427 OE2 GLU B 36 -3.276 -4.758 -6.028 1.00 0.00 O ATOM 0 H GLU B 36 -5.591 -4.684 -2.512 1.00 0.00 H new ATOM 0 HA GLU B 36 -3.658 -6.680 -2.472 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -3.369 -3.770 -1.609 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -2.072 -4.810 -2.161 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -4.379 -3.778 -3.831 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -2.727 -3.196 -3.869 1.00 0.00 H new ATOM 1434 N GLU B 37 -4.465 -5.742 0.548 1.00 0.00 N ATOM 1435 CA GLU B 37 -4.297 -6.044 1.977 1.00 0.00 C ATOM 1436 C GLU B 37 -4.514 -7.541 2.275 1.00 0.00 C ATOM 1437 O GLU B 37 -3.849 -8.117 3.140 1.00 0.00 O ATOM 1438 CB GLU B 37 -5.260 -5.169 2.797 1.00 0.00 C ATOM 1439 CG GLU B 37 -4.910 -5.157 4.289 1.00 0.00 C ATOM 1440 CD GLU B 37 -5.839 -4.209 5.068 1.00 0.00 C ATOM 1441 OE1 GLU B 37 -6.915 -4.654 5.538 1.00 0.00 O ATOM 1442 OE2 GLU B 37 -5.495 -3.015 5.239 1.00 0.00 O ATOM 0 H GLU B 37 -5.295 -5.186 0.344 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.270 -5.815 2.263 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -5.237 -4.149 2.413 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -6.279 -5.535 2.668 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -4.993 -6.166 4.693 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -3.874 -4.845 4.420 1.00 0.00 H new ATOM 1449 N LYS B 38 -5.418 -8.183 1.522 1.00 0.00 N ATOM 1450 CA LYS B 38 -5.687 -9.630 1.556 1.00 0.00 C ATOM 1451 C LYS B 38 -4.667 -10.402 0.736 1.00 0.00 C ATOM 1452 O LYS B 38 -4.158 -11.411 1.211 1.00 0.00 O ATOM 1453 CB LYS B 38 -7.107 -9.914 1.020 1.00 0.00 C ATOM 1454 CG LYS B 38 -8.209 -9.201 1.824 1.00 0.00 C ATOM 1455 CD LYS B 38 -9.617 -9.342 1.214 1.00 0.00 C ATOM 1456 CE LYS B 38 -9.679 -8.570 -0.111 1.00 0.00 C ATOM 1457 NZ LYS B 38 -11.042 -8.446 -0.689 1.00 0.00 N ATOM 0 H LYS B 38 -6.004 -7.692 0.847 1.00 0.00 H new ATOM 0 HA LYS B 38 -5.612 -9.961 2.592 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -7.165 -9.600 -0.022 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -7.288 -10.989 1.040 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -8.221 -9.600 2.838 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -7.962 -8.142 1.901 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -9.849 -10.394 1.046 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -10.366 -8.958 1.907 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -9.272 -7.571 0.046 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -9.034 -9.066 -0.836 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -11.019 -7.788 -1.494 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -11.368 -9.379 -1.014 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -11.695 -8.085 0.035 1.00 0.00 H new ATOM 1471 N HIS B 39 -4.334 -9.916 -0.461 1.00 0.00 N ATOM 1472 CA HIS B 39 -3.501 -10.579 -1.450 1.00 0.00 C ATOM 1473 C HIS B 39 -2.180 -11.123 -0.915 1.00 0.00 C ATOM 1474 O HIS B 39 -1.837 -12.266 -1.204 1.00 0.00 O ATOM 1475 CB HIS B 39 -3.198 -9.553 -2.518 1.00 0.00 C ATOM 1476 CG HIS B 39 -4.261 -9.311 -3.533 1.00 0.00 C ATOM 1477 ND1 HIS B 39 -3.991 -8.690 -4.746 1.00 0.00 N ATOM 1478 CD2 HIS B 39 -5.581 -9.642 -3.462 1.00 0.00 C ATOM 1479 CE1 HIS B 39 -5.179 -8.661 -5.387 1.00 0.00 C ATOM 1480 NE2 HIS B 39 -6.141 -9.237 -4.645 1.00 0.00 N ATOM 0 H HIS B 39 -4.658 -9.002 -0.777 1.00 0.00 H new ATOM 0 HA HIS B 39 -4.051 -11.447 -1.812 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -2.975 -8.606 -2.027 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -2.293 -9.862 -3.040 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -6.085 -10.126 -2.638 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -5.336 -8.232 -6.366 1.00 0.00 H new ATOM 0 HE2 HIS B 39 -7.118 -9.352 -4.916 1.00 0.00 H new ATOM 1488 N ILE B 40 -1.442 -10.315 -0.152 1.00 0.00 N ATOM 1489 CA ILE B 40 -0.098 -10.669 0.326 1.00 0.00 C ATOM 1490 C ILE B 40 -0.145 -11.880 1.267 1.00 0.00 C ATOM 1491 O ILE B 40 0.761 -12.710 1.233 1.00 0.00 O ATOM 1492 CB ILE B 40 0.578 -9.435 0.978 1.00 0.00 C ATOM 1493 CG1 ILE B 40 0.691 -8.288 -0.054 1.00 0.00 C ATOM 1494 CG2 ILE B 40 1.978 -9.760 1.530 1.00 0.00 C ATOM 1495 CD1 ILE B 40 1.195 -6.957 0.524 1.00 0.00 C ATOM 0 H ILE B 40 -1.757 -9.394 0.154 1.00 0.00 H new ATOM 0 HA ILE B 40 0.514 -10.966 -0.526 1.00 0.00 H new ATOM 0 HB ILE B 40 -0.050 -9.130 1.815 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.364 -8.600 -0.853 1.00 0.00 H new ATOM 0 HG13 ILE B 40 -0.287 -8.126 -0.506 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.410 -8.864 1.976 1.00 0.00 H new ATOM 0 HG22 ILE B 40 1.899 -10.540 2.287 1.00 0.00 H new ATOM 0 HG23 ILE B 40 2.618 -10.106 0.718 1.00 0.00 H new ATOM 0 HD11 ILE B 40 1.243 -6.211 -0.269 1.00 0.00 H new ATOM 0 HD12 ILE B 40 0.512 -6.616 1.302 1.00 0.00 H new ATOM 0 HD13 ILE B 40 2.188 -7.098 0.950 1.00 0.00 H new ATOM 1507 N GLU B 41 -1.217 -12.034 2.049 1.00 0.00 N ATOM 1508 CA GLU B 41 -1.464 -13.230 2.863 1.00 0.00 C ATOM 1509 C GLU B 41 -2.174 -14.338 2.067 1.00 0.00 C ATOM 1510 O GLU B 41 -1.844 -15.512 2.231 1.00 0.00 O ATOM 1511 CB GLU B 41 -2.223 -12.858 4.146 1.00 0.00 C ATOM 1512 CG GLU B 41 -1.278 -12.178 5.143 1.00 0.00 C ATOM 1513 CD GLU B 41 -1.987 -11.852 6.464 1.00 0.00 C ATOM 1514 OE1 GLU B 41 -2.345 -12.786 7.221 1.00 0.00 O ATOM 1515 OE2 GLU B 41 -2.172 -10.653 6.788 1.00 0.00 O ATOM 0 H GLU B 41 -1.946 -11.326 2.137 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.498 -13.643 3.154 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -3.051 -12.191 3.907 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -2.654 -13.753 4.595 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -0.425 -12.829 5.338 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -0.885 -11.261 4.705 1.00 0.00 H new ATOM 1522 N TRP B 42 -3.088 -13.994 1.156 1.00 0.00 N ATOM 1523 CA TRP B 42 -3.707 -14.930 0.202 1.00 0.00 C ATOM 1524 C TRP B 42 -2.683 -15.753 -0.602 1.00 0.00 C ATOM 1525 O TRP B 42 -2.840 -16.971 -0.700 1.00 0.00 O ATOM 1526 CB TRP B 42 -4.655 -14.141 -0.714 1.00 0.00 C ATOM 1527 CG TRP B 42 -6.040 -13.897 -0.211 1.00 0.00 C ATOM 1528 CD1 TRP B 42 -6.533 -14.234 1.002 1.00 0.00 C ATOM 1529 CD2 TRP B 42 -7.137 -13.256 -0.926 1.00 0.00 C ATOM 1530 NE1 TRP B 42 -7.863 -13.871 1.077 1.00 0.00 N ATOM 1531 CE2 TRP B 42 -8.290 -13.263 -0.086 1.00 0.00 C ATOM 1532 CE3 TRP B 42 -7.269 -12.663 -2.199 1.00 0.00 C ATOM 1533 CZ2 TRP B 42 -9.516 -12.714 -0.493 1.00 0.00 C ATOM 1534 CZ3 TRP B 42 -8.488 -12.096 -2.614 1.00 0.00 C ATOM 1535 CH2 TRP B 42 -9.611 -12.125 -1.768 1.00 0.00 C ATOM 0 H TRP B 42 -3.428 -13.038 1.055 1.00 0.00 H new ATOM 0 HA TRP B 42 -4.271 -15.671 0.769 1.00 0.00 H new ATOM 0 HB2 TRP B 42 -4.196 -13.175 -0.924 1.00 0.00 H new ATOM 0 HB3 TRP B 42 -4.728 -14.672 -1.663 1.00 0.00 H new ATOM 0 HD1 TRP B 42 -5.973 -14.713 1.791 1.00 0.00 H new ATOM 0 HE1 TRP B 42 -8.456 -14.032 1.891 1.00 0.00 H new ATOM 0 HE3 TRP B 42 -6.420 -12.644 -2.866 1.00 0.00 H new ATOM 0 HZ2 TRP B 42 -10.374 -12.743 0.162 1.00 0.00 H new ATOM 0 HZ3 TRP B 42 -8.562 -11.636 -3.588 1.00 0.00 H new ATOM 0 HH2 TRP B 42 -10.546 -11.696 -2.096 1.00 0.00 H new ATOM 1546 N LEU B 43 -1.610 -15.138 -1.122 1.00 0.00 N ATOM 1547 CA LEU B 43 -0.558 -15.862 -1.862 1.00 0.00 C ATOM 1548 C LEU B 43 0.497 -16.546 -0.965 1.00 0.00 C ATOM 1549 O LEU B 43 1.273 -17.370 -1.447 1.00 0.00 O ATOM 1550 CB LEU B 43 0.031 -14.972 -2.967 1.00 0.00 C ATOM 1551 CG LEU B 43 0.764 -13.724 -2.464 1.00 0.00 C ATOM 1552 CD1 LEU B 43 2.261 -13.952 -2.299 1.00 0.00 C ATOM 1553 CD2 LEU B 43 0.558 -12.574 -3.449 1.00 0.00 C ATOM 0 H LEU B 43 -1.445 -14.134 -1.044 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.036 -16.710 -2.353 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.723 -15.567 -3.563 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.775 -14.660 -3.631 1.00 0.00 H new ATOM 0 HG LEU B 43 0.346 -13.485 -1.486 1.00 0.00 H new ATOM 0 HD11 LEU B 43 2.731 -13.036 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.430 -14.753 -1.579 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.695 -14.231 -3.259 1.00 0.00 H new ATOM 0 HD21 LEU B 43 1.081 -11.688 -3.088 1.00 0.00 H new ATOM 0 HD22 LEU B 43 0.953 -12.856 -4.425 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -0.506 -12.357 -3.537 1.00 0.00 H new ATOM 1565 N GLU B 44 0.501 -16.260 0.341 1.00 0.00 N ATOM 1566 CA GLU B 44 1.353 -16.923 1.347 1.00 0.00 C ATOM 1567 C GLU B 44 0.658 -18.159 1.954 1.00 0.00 C ATOM 1568 O GLU B 44 1.295 -19.190 2.164 1.00 0.00 O ATOM 1569 CB GLU B 44 1.712 -15.900 2.448 1.00 0.00 C ATOM 1570 CG GLU B 44 3.196 -15.874 2.851 1.00 0.00 C ATOM 1571 CD GLU B 44 3.639 -17.015 3.793 1.00 0.00 C ATOM 1572 OE1 GLU B 44 2.870 -17.408 4.705 1.00 0.00 O ATOM 1573 OE2 GLU B 44 4.802 -17.474 3.675 1.00 0.00 O ATOM 0 H GLU B 44 -0.102 -15.543 0.743 1.00 0.00 H new ATOM 0 HA GLU B 44 2.263 -17.277 0.862 1.00 0.00 H new ATOM 0 HB2 GLU B 44 1.426 -14.905 2.106 1.00 0.00 H new ATOM 0 HB3 GLU B 44 1.114 -16.117 3.333 1.00 0.00 H new ATOM 0 HG2 GLU B 44 3.803 -15.914 1.946 1.00 0.00 H new ATOM 0 HG3 GLU B 44 3.408 -14.921 3.335 1.00 0.00 H new ATOM 1580 N THR B 45 -0.665 -18.092 2.171 1.00 0.00 N ATOM 1581 CA THR B 45 -1.495 -19.151 2.789 1.00 0.00 C ATOM 1582 C THR B 45 -1.452 -20.481 2.022 1.00 0.00 C ATOM 1583 O THR B 45 -1.599 -21.551 2.615 1.00 0.00 O ATOM 1584 CB THR B 45 -2.952 -18.662 2.933 1.00 0.00 C ATOM 1585 OG1 THR B 45 -3.003 -17.517 3.758 1.00 0.00 O ATOM 1586 CG2 THR B 45 -3.897 -19.677 3.581 1.00 0.00 C ATOM 0 H THR B 45 -1.211 -17.270 1.913 1.00 0.00 H new ATOM 0 HA THR B 45 -1.070 -19.349 3.773 1.00 0.00 H new ATOM 0 HB THR B 45 -3.277 -18.473 1.910 1.00 0.00 H new ATOM 0 HG1 THR B 45 -2.606 -16.756 3.286 1.00 0.00 H new ATOM 0 HG21 THR B 45 -4.899 -19.253 3.643 1.00 0.00 H new ATOM 0 HG22 THR B 45 -3.924 -20.585 2.979 1.00 0.00 H new ATOM 0 HG23 THR B 45 -3.541 -19.917 4.583 1.00 0.00 H new ATOM 1594 N ILE B 46 -1.183 -20.440 0.712 1.00 0.00 N ATOM 1595 CA ILE B 46 -0.993 -21.623 -0.150 1.00 0.00 C ATOM 1596 C ILE B 46 0.109 -22.560 0.395 1.00 0.00 C ATOM 1597 O ILE B 46 0.019 -23.782 0.261 1.00 0.00 O ATOM 1598 CB ILE B 46 -0.686 -21.173 -1.603 1.00 0.00 C ATOM 1599 CG1 ILE B 46 -1.761 -20.180 -2.119 1.00 0.00 C ATOM 1600 CG2 ILE B 46 -0.579 -22.389 -2.542 1.00 0.00 C ATOM 1601 CD1 ILE B 46 -1.589 -19.717 -3.570 1.00 0.00 C ATOM 0 H ILE B 46 -1.088 -19.561 0.204 1.00 0.00 H new ATOM 0 HA ILE B 46 -1.919 -22.198 -0.150 1.00 0.00 H new ATOM 0 HB ILE B 46 0.275 -20.659 -1.596 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -2.740 -20.648 -2.019 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -1.759 -19.302 -1.473 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -0.363 -22.049 -3.555 1.00 0.00 H new ATOM 0 HG22 ILE B 46 0.223 -23.043 -2.200 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -1.521 -22.937 -2.536 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -2.392 -19.027 -3.829 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -0.628 -19.214 -3.680 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -1.625 -20.581 -4.234 1.00 0.00 H new ATOM 1613 N LEU B 47 1.137 -21.997 1.041 1.00 0.00 N ATOM 1614 CA LEU B 47 2.320 -22.710 1.539 1.00 0.00 C ATOM 1615 C LEU B 47 2.061 -23.499 2.843 1.00 0.00 C ATOM 1616 O LEU B 47 2.844 -24.393 3.180 1.00 0.00 O ATOM 1617 CB LEU B 47 3.462 -21.691 1.735 1.00 0.00 C ATOM 1618 CG LEU B 47 3.787 -20.844 0.484 1.00 0.00 C ATOM 1619 CD1 LEU B 47 4.765 -19.729 0.845 1.00 0.00 C ATOM 1620 CD2 LEU B 47 4.386 -21.691 -0.643 1.00 0.00 C ATOM 0 H LEU B 47 1.169 -20.997 1.239 1.00 0.00 H new ATOM 0 HA LEU B 47 2.595 -23.458 0.796 1.00 0.00 H new ATOM 0 HB2 LEU B 47 3.198 -21.021 2.553 1.00 0.00 H new ATOM 0 HB3 LEU B 47 4.361 -22.226 2.039 1.00 0.00 H new ATOM 0 HG LEU B 47 2.848 -20.420 0.129 1.00 0.00 H new ATOM 0 HD11 LEU B 47 4.987 -19.138 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU B 47 4.320 -19.087 1.606 1.00 0.00 H new ATOM 0 HD13 LEU B 47 5.687 -20.164 1.231 1.00 0.00 H new ATOM 0 HD21 LEU B 47 4.599 -21.055 -1.502 1.00 0.00 H new ATOM 0 HD22 LEU B 47 5.310 -22.155 -0.298 1.00 0.00 H new ATOM 0 HD23 LEU B 47 3.676 -22.466 -0.932 1.00 0.00 H new ATOM 1632 N GLY B 48 0.981 -23.187 3.571 1.00 0.00 N ATOM 1633 CA GLY B 48 0.560 -23.895 4.786 1.00 0.00 C ATOM 1634 C GLY B 48 -0.408 -23.099 5.672 1.00 0.00 C ATOM 1635 O GLY B 48 -0.548 -21.881 5.552 1.00 0.00 O ATOM 0 H GLY B 48 0.361 -22.416 3.325 1.00 0.00 H new ATOM 0 HA2 GLY B 48 0.086 -24.834 4.500 1.00 0.00 H new ATOM 0 HA3 GLY B 48 1.444 -24.149 5.370 1.00 0.00 H new HETATM 1639 N NH2 B 49 -1.075 -23.770 6.601 1.00 0.00 N TER 1642 NH2 B 49 HETATM 1643 ZN ZN A 50 -3.598 -4.485 -7.729 1.00 0.00 ZN HETATM 1644 ZN ZN B 50 -2.138 -7.773 -5.292 1.00 0.00 ZN