USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 822 hydrogens (10 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 50 ZNZN :(H bumps) USER MOD NoAdj-H: B 39 HIS HD1 : B 39 HIS ND1 : B 50 ZNZN :(H bumps) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.0454 K(o=-0.045,f=-2.3!) USER MOD Single : A 17 TYR OH : rot -177:sc= 0.0111 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -75:sc= -0.304 USER MOD Single : A 25 HIS : no HD1:sc= -0.243 X(o=-0.24,f=-0.0017) USER MOD Single : A 26 ASN : amide:sc= 1.03 K(o=1,f=-0.11) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 76:sc= 0.0794 USER MOD Single : B 2 TYR OH : rot 180:sc= -0.101 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : B 17 TYR OH : rot 180:sc=-0.000107 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot -72:sc= 0.0691 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 26 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 45 THR OG1 : rot 72:sc= 0.278 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 2.677 13.501 -12.361 1.00 0.00 C HETATM 2 O ACE A 0 2.773 13.623 -13.579 1.00 0.00 O HETATM 3 CH3 ACE A 0 2.037 14.593 -11.534 1.00 0.00 C HETATM 0 H1 ACE A 0 1.169 14.192 -11.010 1.00 0.00 H new HETATM 0 H2 ACE A 0 2.757 14.969 -10.807 1.00 0.00 H new HETATM 0 H3 ACE A 0 1.722 15.407 -12.187 1.00 0.00 H new ATOM 7 N ASP A 1 3.111 12.437 -11.687 1.00 0.00 N ATOM 8 CA ASP A 1 3.843 11.302 -12.287 1.00 0.00 C ATOM 9 C ASP A 1 3.486 9.930 -11.681 1.00 0.00 C ATOM 10 O ASP A 1 3.650 8.891 -12.324 1.00 0.00 O ATOM 11 CB ASP A 1 5.344 11.566 -12.105 1.00 0.00 C ATOM 12 CG ASP A 1 6.221 10.653 -12.981 1.00 0.00 C ATOM 13 OD1 ASP A 1 6.141 10.748 -14.229 1.00 0.00 O ATOM 14 OD2 ASP A 1 7.025 9.869 -12.422 1.00 0.00 O ATOM 0 H ASP A 1 2.964 12.329 -10.683 1.00 0.00 H new ATOM 0 HA ASP A 1 3.556 11.245 -13.337 1.00 0.00 H new ATOM 0 HB2 ASP A 1 5.557 12.607 -12.347 1.00 0.00 H new ATOM 0 HB3 ASP A 1 5.609 11.421 -11.058 1.00 0.00 H new ATOM 19 N TYR A 2 2.966 9.931 -10.450 1.00 0.00 N ATOM 20 CA TYR A 2 2.649 8.741 -9.642 1.00 0.00 C ATOM 21 C TYR A 2 1.783 7.686 -10.349 1.00 0.00 C ATOM 22 O TYR A 2 1.968 6.491 -10.136 1.00 0.00 O ATOM 23 CB TYR A 2 1.972 9.179 -8.332 1.00 0.00 C ATOM 24 CG TYR A 2 0.522 9.633 -8.443 1.00 0.00 C ATOM 25 CD1 TYR A 2 0.212 10.968 -8.773 1.00 0.00 C ATOM 26 CD2 TYR A 2 -0.520 8.712 -8.208 1.00 0.00 C ATOM 27 CE1 TYR A 2 -1.132 11.379 -8.878 1.00 0.00 C ATOM 28 CE2 TYR A 2 -1.864 9.120 -8.309 1.00 0.00 C ATOM 29 CZ TYR A 2 -2.175 10.455 -8.645 1.00 0.00 C ATOM 30 OH TYR A 2 -3.476 10.841 -8.751 1.00 0.00 O ATOM 0 H TYR A 2 2.743 10.799 -9.964 1.00 0.00 H new ATOM 0 HA TYR A 2 3.603 8.249 -9.452 1.00 0.00 H new ATOM 0 HB2 TYR A 2 2.018 8.348 -7.628 1.00 0.00 H new ATOM 0 HB3 TYR A 2 2.554 9.994 -7.901 1.00 0.00 H new ATOM 0 HD1 TYR A 2 1.007 11.678 -8.946 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -0.286 7.690 -7.950 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -1.365 12.401 -9.137 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -2.658 8.410 -8.129 1.00 0.00 H new ATOM 0 HH TYR A 2 -4.060 10.078 -8.558 1.00 0.00 H new ATOM 40 N LEU A 3 0.861 8.123 -11.208 1.00 0.00 N ATOM 41 CA LEU A 3 -0.065 7.269 -11.966 1.00 0.00 C ATOM 42 C LEU A 3 0.684 6.275 -12.856 1.00 0.00 C ATOM 43 O LEU A 3 0.411 5.077 -12.818 1.00 0.00 O ATOM 44 CB LEU A 3 -0.977 8.146 -12.848 1.00 0.00 C ATOM 45 CG LEU A 3 -1.980 9.019 -12.078 1.00 0.00 C ATOM 46 CD1 LEU A 3 -2.598 10.056 -13.017 1.00 0.00 C ATOM 47 CD2 LEU A 3 -3.113 8.185 -11.476 1.00 0.00 C ATOM 0 H LEU A 3 0.731 9.115 -11.405 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.660 6.706 -11.247 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.350 8.794 -13.461 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.529 7.499 -13.529 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.431 9.505 -11.272 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.308 10.671 -12.464 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.812 10.690 -13.427 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.116 9.548 -13.830 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.801 8.839 -10.940 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.649 7.670 -12.273 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.697 7.451 -10.785 1.00 0.00 H new ATOM 59 N ARG A 4 1.663 6.766 -13.627 1.00 0.00 N ATOM 60 CA ARG A 4 2.519 5.919 -14.469 1.00 0.00 C ATOM 61 C ARG A 4 3.356 4.963 -13.623 1.00 0.00 C ATOM 62 O ARG A 4 3.471 3.794 -13.979 1.00 0.00 O ATOM 63 CB ARG A 4 3.392 6.793 -15.387 1.00 0.00 C ATOM 64 CG ARG A 4 4.158 5.944 -16.416 1.00 0.00 C ATOM 65 CD ARG A 4 4.979 6.825 -17.365 1.00 0.00 C ATOM 66 NE ARG A 4 5.735 6.004 -18.334 1.00 0.00 N ATOM 67 CZ ARG A 4 6.733 6.405 -19.100 1.00 0.00 C ATOM 68 NH1 ARG A 4 7.165 7.635 -19.092 1.00 0.00 N ATOM 69 NH2 ARG A 4 7.327 5.568 -19.902 1.00 0.00 N ATOM 0 H ARG A 4 1.884 7.760 -13.685 1.00 0.00 H new ATOM 0 HA ARG A 4 1.883 5.301 -15.102 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.764 7.516 -15.907 1.00 0.00 H new ATOM 0 HB3 ARG A 4 4.100 7.361 -14.784 1.00 0.00 H new ATOM 0 HG2 ARG A 4 4.819 5.250 -15.898 1.00 0.00 H new ATOM 0 HG3 ARG A 4 3.454 5.344 -16.992 1.00 0.00 H new ATOM 0 HD2 ARG A 4 4.316 7.505 -17.900 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.670 7.440 -16.788 1.00 0.00 H new ATOM 0 HE ARG A 4 5.457 5.026 -18.420 1.00 0.00 H new ATOM 0 HH11 ARG A 4 6.729 8.325 -18.480 1.00 0.00 H new ATOM 0 HH12 ARG A 4 7.939 7.908 -19.698 1.00 0.00 H new ATOM 0 HH21 ARG A 4 7.022 4.595 -19.941 1.00 0.00 H new ATOM 0 HH22 ARG A 4 8.097 5.885 -20.491 1.00 0.00 H new ATOM 83 N GLU A 5 3.884 5.420 -12.485 1.00 0.00 N ATOM 84 CA GLU A 5 4.653 4.565 -11.568 1.00 0.00 C ATOM 85 C GLU A 5 3.796 3.395 -11.032 1.00 0.00 C ATOM 86 O GLU A 5 4.253 2.251 -10.978 1.00 0.00 O ATOM 87 CB GLU A 5 5.203 5.423 -10.418 1.00 0.00 C ATOM 88 CG GLU A 5 6.314 4.721 -9.623 1.00 0.00 C ATOM 89 CD GLU A 5 6.234 5.049 -8.119 1.00 0.00 C ATOM 90 OE1 GLU A 5 6.616 6.175 -7.716 1.00 0.00 O ATOM 91 OE2 GLU A 5 5.801 4.175 -7.330 1.00 0.00 O ATOM 0 H GLU A 5 3.793 6.386 -12.172 1.00 0.00 H new ATOM 0 HA GLU A 5 5.486 4.122 -12.114 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.589 6.359 -10.823 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.388 5.681 -9.742 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.237 3.643 -9.765 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.286 5.025 -10.010 1.00 0.00 H new ATOM 98 N LEU A 6 2.530 3.676 -10.711 1.00 0.00 N ATOM 99 CA LEU A 6 1.503 2.715 -10.298 1.00 0.00 C ATOM 100 C LEU A 6 1.194 1.676 -11.394 1.00 0.00 C ATOM 101 O LEU A 6 1.355 0.469 -11.191 1.00 0.00 O ATOM 102 CB LEU A 6 0.242 3.522 -9.893 1.00 0.00 C ATOM 103 CG LEU A 6 -0.072 3.407 -8.398 1.00 0.00 C ATOM 104 CD1 LEU A 6 1.006 4.076 -7.548 1.00 0.00 C ATOM 105 CD2 LEU A 6 -1.401 4.078 -8.042 1.00 0.00 C ATOM 0 H LEU A 6 2.175 4.632 -10.733 1.00 0.00 H new ATOM 0 HA LEU A 6 1.866 2.133 -9.450 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.387 4.571 -10.151 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.613 3.168 -10.469 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.120 2.338 -8.188 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.752 3.976 -6.493 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.967 3.598 -7.737 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.070 5.133 -7.807 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.586 3.974 -6.973 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.355 5.136 -8.301 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.209 3.603 -8.598 1.00 0.00 H new ATOM 117 N LEU A 7 0.777 2.158 -12.564 1.00 0.00 N ATOM 118 CA LEU A 7 0.374 1.349 -13.722 1.00 0.00 C ATOM 119 C LEU A 7 1.485 0.430 -14.247 1.00 0.00 C ATOM 120 O LEU A 7 1.238 -0.731 -14.560 1.00 0.00 O ATOM 121 CB LEU A 7 -0.087 2.290 -14.849 1.00 0.00 C ATOM 122 CG LEU A 7 -1.406 3.030 -14.568 1.00 0.00 C ATOM 123 CD1 LEU A 7 -1.565 4.181 -15.556 1.00 0.00 C ATOM 124 CD2 LEU A 7 -2.614 2.106 -14.708 1.00 0.00 C ATOM 0 H LEU A 7 0.707 3.160 -12.742 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.435 0.697 -13.391 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.695 3.027 -15.032 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.199 1.710 -15.765 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.364 3.398 -13.543 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.500 4.705 -15.357 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.730 4.873 -15.446 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.579 3.788 -16.573 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.526 2.666 -14.502 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.653 1.710 -15.723 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.526 1.282 -14.000 1.00 0.00 H new ATOM 136 N LYS A 8 2.728 0.949 -14.328 1.00 0.00 N ATOM 137 CA LYS A 8 3.902 0.228 -14.857 1.00 0.00 C ATOM 138 C LYS A 8 4.283 -0.998 -14.021 1.00 0.00 C ATOM 139 O LYS A 8 4.990 -1.883 -14.533 1.00 0.00 O ATOM 140 CB LYS A 8 5.063 1.235 -15.006 1.00 0.00 C ATOM 141 CG LYS A 8 6.174 0.787 -15.972 1.00 0.00 C ATOM 142 CD LYS A 8 7.295 1.832 -16.108 1.00 0.00 C ATOM 143 CE LYS A 8 8.153 1.907 -14.837 1.00 0.00 C ATOM 144 NZ LYS A 8 9.303 2.834 -15.005 1.00 0.00 N ATOM 0 H LYS A 8 2.946 1.897 -14.022 1.00 0.00 H new ATOM 0 HA LYS A 8 3.654 -0.184 -15.835 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.660 2.187 -15.352 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.502 1.413 -14.024 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.599 -0.153 -15.620 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.741 0.594 -16.954 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.927 1.581 -16.960 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.859 2.810 -16.312 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.537 2.239 -14.001 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.521 0.912 -14.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.860 2.859 -14.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.904 2.503 -15.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.951 3.789 -15.219 1.00 0.00 H new ATOM 158 N GLY A 9 3.811 -1.119 -12.781 1.00 0.00 N ATOM 159 CA GLY A 9 4.150 -2.176 -11.841 1.00 0.00 C ATOM 160 C GLY A 9 3.075 -3.202 -11.532 1.00 0.00 C ATOM 161 O GLY A 9 3.400 -4.384 -11.451 1.00 0.00 O ATOM 0 H GLY A 9 3.150 -0.448 -12.390 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.021 -2.705 -12.228 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.451 -1.710 -10.903 1.00 0.00 H new ATOM 165 N GLU A 10 1.813 -2.826 -11.408 1.00 0.00 N ATOM 166 CA GLU A 10 0.777 -3.867 -11.204 1.00 0.00 C ATOM 167 C GLU A 10 0.607 -4.813 -12.399 1.00 0.00 C ATOM 168 O GLU A 10 0.258 -5.979 -12.197 1.00 0.00 O ATOM 169 CB GLU A 10 -0.564 -3.297 -10.722 1.00 0.00 C ATOM 170 CG GLU A 10 -0.533 -3.136 -9.194 1.00 0.00 C ATOM 171 CD GLU A 10 -1.796 -3.636 -8.509 1.00 0.00 C ATOM 172 OE1 GLU A 10 -2.981 -3.285 -8.685 1.00 0.00 O ATOM 173 OE2 GLU A 10 -1.794 -4.538 -7.657 1.00 0.00 O ATOM 0 H GLU A 10 1.476 -1.864 -11.440 1.00 0.00 H new ATOM 0 HA GLU A 10 1.162 -4.483 -10.391 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.753 -2.334 -11.196 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.379 -3.961 -11.012 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.326 -3.677 -8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.388 -2.084 -8.950 1.00 0.00 H new ATOM 180 N LEU A 11 0.936 -4.385 -13.623 1.00 0.00 N ATOM 181 CA LEU A 11 0.868 -5.287 -14.785 1.00 0.00 C ATOM 182 C LEU A 11 1.890 -6.439 -14.714 1.00 0.00 C ATOM 183 O LEU A 11 1.641 -7.546 -15.194 1.00 0.00 O ATOM 184 CB LEU A 11 0.897 -4.416 -16.052 1.00 0.00 C ATOM 185 CG LEU A 11 2.203 -4.438 -16.855 1.00 0.00 C ATOM 186 CD1 LEU A 11 2.232 -5.559 -17.898 1.00 0.00 C ATOM 187 CD2 LEU A 11 2.392 -3.110 -17.582 1.00 0.00 C ATOM 0 H LEU A 11 1.247 -3.437 -13.836 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.069 -5.843 -14.799 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.086 -4.735 -16.707 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.688 -3.385 -15.765 1.00 0.00 H new ATOM 0 HG LEU A 11 3.005 -4.611 -16.138 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.178 -5.529 -18.438 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.129 -6.523 -17.399 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.409 -5.424 -18.600 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.322 -3.135 -18.150 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.556 -2.945 -18.262 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.433 -2.299 -16.854 1.00 0.00 H new ATOM 199 N GLN A 12 3.002 -6.190 -14.023 1.00 0.00 N ATOM 200 CA GLN A 12 4.115 -7.101 -13.795 1.00 0.00 C ATOM 201 C GLN A 12 3.718 -8.306 -12.916 1.00 0.00 C ATOM 202 O GLN A 12 4.389 -9.339 -12.930 1.00 0.00 O ATOM 203 CB GLN A 12 5.262 -6.266 -13.188 1.00 0.00 C ATOM 204 CG GLN A 12 6.605 -7.003 -13.176 1.00 0.00 C ATOM 205 CD GLN A 12 7.750 -6.106 -12.718 1.00 0.00 C ATOM 206 OE1 GLN A 12 8.547 -5.611 -13.509 1.00 0.00 O ATOM 207 NE2 GLN A 12 7.887 -5.855 -11.433 1.00 0.00 N ATOM 0 H GLN A 12 3.156 -5.285 -13.579 1.00 0.00 H new ATOM 0 HA GLN A 12 4.439 -7.550 -14.734 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.368 -5.341 -13.754 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.999 -5.987 -12.168 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.537 -7.868 -12.516 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.819 -7.381 -14.176 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.233 -6.258 -10.762 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.647 -5.257 -11.108 1.00 0.00 H new ATOM 216 N GLY A 13 2.594 -8.200 -12.194 1.00 0.00 N ATOM 217 CA GLY A 13 2.036 -9.260 -11.358 1.00 0.00 C ATOM 218 C GLY A 13 0.976 -10.080 -12.086 1.00 0.00 C ATOM 219 O GLY A 13 0.965 -11.303 -11.938 1.00 0.00 O ATOM 0 H GLY A 13 2.035 -7.347 -12.178 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.839 -9.920 -11.029 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.598 -8.820 -10.462 1.00 0.00 H new ATOM 223 N ILE A 14 0.132 -9.458 -12.929 1.00 0.00 N ATOM 224 CA ILE A 14 -0.983 -10.179 -13.592 1.00 0.00 C ATOM 225 C ILE A 14 -0.464 -11.377 -14.400 1.00 0.00 C ATOM 226 O ILE A 14 -0.985 -12.491 -14.294 1.00 0.00 O ATOM 227 CB ILE A 14 -1.826 -9.248 -14.494 1.00 0.00 C ATOM 228 CG1 ILE A 14 -2.470 -8.122 -13.661 1.00 0.00 C ATOM 229 CG2 ILE A 14 -2.931 -10.036 -15.232 1.00 0.00 C ATOM 230 CD1 ILE A 14 -3.142 -7.048 -14.516 1.00 0.00 C ATOM 0 H ILE A 14 0.195 -8.469 -13.169 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.634 -10.547 -12.799 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.154 -8.811 -15.233 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.209 -8.555 -12.987 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.705 -7.656 -13.039 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.507 -9.355 -15.858 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.475 -10.805 -15.856 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.592 -10.505 -14.503 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.575 -6.286 -13.868 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.402 -6.589 -15.172 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.929 -7.502 -15.118 1.00 0.00 H new ATOM 242 N LYS A 15 0.603 -11.152 -15.177 1.00 0.00 N ATOM 243 CA LYS A 15 1.189 -12.166 -16.059 1.00 0.00 C ATOM 244 C LYS A 15 1.873 -13.308 -15.292 1.00 0.00 C ATOM 245 O LYS A 15 1.889 -14.446 -15.754 1.00 0.00 O ATOM 246 CB LYS A 15 2.155 -11.480 -17.047 1.00 0.00 C ATOM 247 CG LYS A 15 2.190 -12.196 -18.405 1.00 0.00 C ATOM 248 CD LYS A 15 3.280 -11.603 -19.310 1.00 0.00 C ATOM 249 CE LYS A 15 3.213 -12.156 -20.742 1.00 0.00 C ATOM 250 NZ LYS A 15 2.173 -11.475 -21.561 1.00 0.00 N ATOM 0 H LYS A 15 1.086 -10.254 -15.211 1.00 0.00 H new ATOM 0 HA LYS A 15 0.379 -12.640 -16.614 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.851 -10.443 -17.191 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.158 -11.462 -16.620 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.375 -13.260 -18.255 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.219 -12.107 -18.892 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.177 -10.518 -19.337 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.260 -11.820 -18.885 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.185 -12.038 -21.221 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.003 -13.225 -20.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.164 -11.881 -22.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.241 -11.609 -21.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.386 -10.459 -21.618 1.00 0.00 H new ATOM 264 N GLN A 16 2.395 -13.013 -14.098 1.00 0.00 N ATOM 265 CA GLN A 16 3.083 -13.956 -13.219 1.00 0.00 C ATOM 266 C GLN A 16 2.111 -14.861 -12.459 1.00 0.00 C ATOM 267 O GLN A 16 2.352 -16.059 -12.320 1.00 0.00 O ATOM 268 CB GLN A 16 3.960 -13.159 -12.240 1.00 0.00 C ATOM 269 CG GLN A 16 5.314 -12.730 -12.828 1.00 0.00 C ATOM 270 CD GLN A 16 6.351 -13.857 -12.867 1.00 0.00 C ATOM 271 OE1 GLN A 16 6.068 -15.016 -13.145 1.00 0.00 O ATOM 272 NE2 GLN A 16 7.603 -13.573 -12.582 1.00 0.00 N ATOM 0 H GLN A 16 2.347 -12.073 -13.704 1.00 0.00 H new ATOM 0 HA GLN A 16 3.699 -14.615 -13.831 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.416 -12.271 -11.920 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.136 -13.763 -11.350 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.159 -12.355 -13.840 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.711 -11.903 -12.239 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.868 -12.617 -12.347 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.309 -14.309 -12.596 1.00 0.00 H new ATOM 281 N TYR A 17 0.973 -14.319 -12.026 1.00 0.00 N ATOM 282 CA TYR A 17 -0.089 -15.089 -11.385 1.00 0.00 C ATOM 283 C TYR A 17 -0.675 -16.169 -12.296 1.00 0.00 C ATOM 284 O TYR A 17 -0.902 -17.292 -11.842 1.00 0.00 O ATOM 285 CB TYR A 17 -1.211 -14.143 -10.951 1.00 0.00 C ATOM 286 CG TYR A 17 -0.958 -13.332 -9.694 1.00 0.00 C ATOM 287 CD1 TYR A 17 -0.680 -13.979 -8.473 1.00 0.00 C ATOM 288 CD2 TYR A 17 -1.070 -11.930 -9.732 1.00 0.00 C ATOM 289 CE1 TYR A 17 -0.497 -13.220 -7.299 1.00 0.00 C ATOM 290 CE2 TYR A 17 -0.876 -11.169 -8.566 1.00 0.00 C ATOM 291 CZ TYR A 17 -0.595 -11.812 -7.344 1.00 0.00 C ATOM 292 OH TYR A 17 -0.513 -11.079 -6.202 1.00 0.00 O ATOM 0 H TYR A 17 0.762 -13.325 -12.112 1.00 0.00 H new ATOM 0 HA TYR A 17 0.356 -15.592 -10.526 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.411 -13.452 -11.770 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.116 -14.732 -10.802 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.607 -15.056 -8.437 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.306 -11.435 -10.663 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.282 -13.716 -6.364 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.942 -10.092 -8.607 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.647 -10.131 -6.411 1.00 0.00 H new ATOM 302 N ARG A 18 -0.888 -15.868 -13.585 1.00 0.00 N ATOM 303 CA ARG A 18 -1.439 -16.854 -14.534 1.00 0.00 C ATOM 304 C ARG A 18 -0.469 -17.999 -14.852 1.00 0.00 C ATOM 305 O ARG A 18 -0.888 -19.060 -15.311 1.00 0.00 O ATOM 306 CB ARG A 18 -1.974 -16.146 -15.785 1.00 0.00 C ATOM 307 CG ARG A 18 -3.475 -15.861 -15.613 1.00 0.00 C ATOM 308 CD ARG A 18 -4.080 -14.951 -16.685 1.00 0.00 C ATOM 309 NE ARG A 18 -4.301 -15.644 -17.970 1.00 0.00 N ATOM 310 CZ ARG A 18 -5.087 -15.231 -18.951 1.00 0.00 C ATOM 311 NH1 ARG A 18 -5.732 -14.099 -18.891 1.00 0.00 N ATOM 312 NH2 ARG A 18 -5.249 -15.953 -20.022 1.00 0.00 N ATOM 0 H ARG A 18 -0.689 -14.956 -13.996 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.281 -17.346 -14.047 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.433 -15.214 -15.947 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.810 -16.767 -16.665 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.013 -16.809 -15.614 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.635 -15.405 -14.636 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.029 -14.554 -16.324 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.419 -14.099 -16.846 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.802 -16.522 -18.115 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.639 -13.502 -18.069 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.330 -13.811 -19.666 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.767 -16.848 -20.112 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.858 -15.624 -20.772 1.00 0.00 H new ATOM 326 N GLU A 19 0.812 -17.810 -14.544 1.00 0.00 N ATOM 327 CA GLU A 19 1.862 -18.830 -14.600 1.00 0.00 C ATOM 328 C GLU A 19 1.880 -19.774 -13.381 1.00 0.00 C ATOM 329 O GLU A 19 2.383 -20.893 -13.475 1.00 0.00 O ATOM 330 CB GLU A 19 3.212 -18.102 -14.649 1.00 0.00 C ATOM 331 CG GLU A 19 4.186 -18.664 -15.697 1.00 0.00 C ATOM 332 CD GLU A 19 3.732 -18.368 -17.144 1.00 0.00 C ATOM 333 OE1 GLU A 19 4.123 -17.316 -17.708 1.00 0.00 O ATOM 334 OE2 GLU A 19 3.007 -19.200 -17.741 1.00 0.00 O ATOM 0 H GLU A 19 1.164 -16.904 -14.235 1.00 0.00 H new ATOM 0 HA GLU A 19 1.669 -19.446 -15.479 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.037 -17.047 -14.859 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.680 -18.158 -13.666 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.175 -18.236 -15.535 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.278 -19.742 -15.562 1.00 0.00 H new ATOM 341 N ALA A 20 1.391 -19.321 -12.220 1.00 0.00 N ATOM 342 CA ALA A 20 1.713 -19.923 -10.925 1.00 0.00 C ATOM 343 C ALA A 20 0.794 -21.079 -10.506 1.00 0.00 C ATOM 344 O ALA A 20 1.270 -21.983 -9.814 1.00 0.00 O ATOM 345 CB ALA A 20 1.734 -18.800 -9.882 1.00 0.00 C ATOM 0 H ALA A 20 0.759 -18.523 -12.155 1.00 0.00 H new ATOM 0 HA ALA A 20 2.691 -20.398 -11.009 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.972 -19.217 -8.903 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.489 -18.063 -10.156 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.756 -18.320 -9.844 1.00 0.00 H new ATOM 351 N LEU A 21 -0.462 -21.134 -10.978 1.00 0.00 N ATOM 352 CA LEU A 21 -1.361 -22.278 -10.741 1.00 0.00 C ATOM 353 C LEU A 21 -0.753 -23.603 -11.204 1.00 0.00 C ATOM 354 O LEU A 21 -1.055 -24.638 -10.618 1.00 0.00 O ATOM 355 CB LEU A 21 -2.729 -22.042 -11.395 1.00 0.00 C ATOM 356 CG LEU A 21 -3.814 -23.069 -11.034 1.00 0.00 C ATOM 357 CD1 LEU A 21 -4.292 -22.866 -9.601 1.00 0.00 C ATOM 358 CD2 LEU A 21 -5.027 -22.924 -11.945 1.00 0.00 C ATOM 0 H LEU A 21 -0.883 -20.389 -11.533 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.501 -22.355 -9.663 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.082 -21.050 -11.113 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.600 -22.039 -12.477 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.369 -24.057 -11.152 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.060 -23.603 -9.366 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.452 -22.986 -8.917 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.707 -21.864 -9.494 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.780 -23.662 -11.669 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.444 -21.923 -11.839 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.726 -23.083 -12.980 1.00 0.00 H new ATOM 370 N GLU A 22 0.155 -23.575 -12.183 1.00 0.00 N ATOM 371 CA GLU A 22 0.880 -24.783 -12.622 1.00 0.00 C ATOM 372 C GLU A 22 1.680 -25.481 -11.511 1.00 0.00 C ATOM 373 O GLU A 22 1.922 -26.688 -11.588 1.00 0.00 O ATOM 374 CB GLU A 22 1.830 -24.434 -13.777 1.00 0.00 C ATOM 375 CG GLU A 22 1.301 -24.869 -15.150 1.00 0.00 C ATOM 376 CD GLU A 22 1.324 -26.403 -15.311 1.00 0.00 C ATOM 377 OE1 GLU A 22 0.324 -27.073 -14.950 1.00 0.00 O ATOM 378 OE2 GLU A 22 2.338 -26.951 -15.811 1.00 0.00 O ATOM 0 H GLU A 22 0.410 -22.729 -12.692 1.00 0.00 H new ATOM 0 HA GLU A 22 0.110 -25.486 -12.941 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.001 -23.357 -13.785 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.795 -24.908 -13.600 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.282 -24.505 -15.279 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.905 -24.412 -15.934 1.00 0.00 H new ATOM 385 N TYR A 23 2.032 -24.739 -10.462 1.00 0.00 N ATOM 386 CA TYR A 23 2.766 -25.222 -9.293 1.00 0.00 C ATOM 387 C TYR A 23 1.934 -25.137 -8.003 1.00 0.00 C ATOM 388 O TYR A 23 2.102 -25.982 -7.120 1.00 0.00 O ATOM 389 CB TYR A 23 4.051 -24.400 -9.157 1.00 0.00 C ATOM 390 CG TYR A 23 5.088 -24.627 -10.243 1.00 0.00 C ATOM 391 CD1 TYR A 23 5.839 -25.819 -10.251 1.00 0.00 C ATOM 392 CD2 TYR A 23 5.328 -23.641 -11.223 1.00 0.00 C ATOM 393 CE1 TYR A 23 6.829 -26.026 -11.232 1.00 0.00 C ATOM 394 CE2 TYR A 23 6.317 -23.844 -12.205 1.00 0.00 C ATOM 395 CZ TYR A 23 7.073 -25.039 -12.211 1.00 0.00 C ATOM 396 OH TYR A 23 8.040 -25.245 -13.147 1.00 0.00 O ATOM 0 H TYR A 23 1.805 -23.746 -10.401 1.00 0.00 H new ATOM 0 HA TYR A 23 2.999 -26.277 -9.440 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.786 -23.343 -9.146 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.505 -24.625 -8.192 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.655 -26.576 -9.503 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.752 -22.728 -11.220 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.402 -26.941 -11.235 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.498 -23.087 -12.954 1.00 0.00 H new ATOM 0 HH TYR A 23 8.083 -24.473 -13.749 1.00 0.00 H new ATOM 406 N THR A 24 1.009 -24.175 -7.886 1.00 0.00 N ATOM 407 CA THR A 24 0.214 -23.958 -6.663 1.00 0.00 C ATOM 408 C THR A 24 -1.133 -24.684 -6.634 1.00 0.00 C ATOM 409 O THR A 24 -1.597 -24.993 -5.536 1.00 0.00 O ATOM 410 CB THR A 24 -0.029 -22.465 -6.407 1.00 0.00 C ATOM 411 OG1 THR A 24 -0.665 -21.904 -7.520 1.00 0.00 O ATOM 412 CG2 THR A 24 1.260 -21.681 -6.161 1.00 0.00 C ATOM 0 H THR A 24 0.788 -23.522 -8.637 1.00 0.00 H new ATOM 0 HA THR A 24 0.828 -24.390 -5.872 1.00 0.00 H new ATOM 0 HB THR A 24 -0.642 -22.398 -5.508 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.017 -21.798 -8.248 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.020 -20.632 -5.987 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.771 -22.086 -5.288 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.909 -21.765 -7.033 1.00 0.00 H new ATOM 420 N HIS A 25 -1.752 -25.002 -7.787 1.00 0.00 N ATOM 421 CA HIS A 25 -3.022 -25.768 -7.910 1.00 0.00 C ATOM 422 C HIS A 25 -4.083 -25.393 -6.837 1.00 0.00 C ATOM 423 O HIS A 25 -4.677 -26.260 -6.193 1.00 0.00 O ATOM 424 CB HIS A 25 -2.676 -27.266 -8.032 1.00 0.00 C ATOM 425 CG HIS A 25 -2.188 -27.631 -9.421 1.00 0.00 C ATOM 426 ND1 HIS A 25 -2.987 -28.077 -10.464 1.00 0.00 N ATOM 427 CD2 HIS A 25 -0.915 -27.503 -9.914 1.00 0.00 C ATOM 428 CE1 HIS A 25 -2.214 -28.215 -11.562 1.00 0.00 C ATOM 429 NE2 HIS A 25 -0.947 -27.880 -11.245 1.00 0.00 N ATOM 0 H HIS A 25 -1.374 -24.726 -8.694 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.543 -25.484 -8.824 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.909 -27.520 -7.301 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -3.557 -27.861 -7.790 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.047 -27.169 -9.365 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -2.554 -28.540 -12.534 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -0.148 -27.901 -11.879 1.00 0.00 H new ATOM 438 N ASN A 26 -4.294 -24.084 -6.623 1.00 0.00 N ATOM 439 CA ASN A 26 -5.106 -23.479 -5.553 1.00 0.00 C ATOM 440 C ASN A 26 -6.172 -22.494 -6.092 1.00 0.00 C ATOM 441 O ASN A 26 -5.915 -21.787 -7.068 1.00 0.00 O ATOM 442 CB ASN A 26 -4.151 -22.771 -4.565 1.00 0.00 C ATOM 443 CG ASN A 26 -4.010 -23.540 -3.262 1.00 0.00 C ATOM 444 OD1 ASN A 26 -4.640 -23.226 -2.263 1.00 0.00 O ATOM 445 ND2 ASN A 26 -3.211 -24.578 -3.232 1.00 0.00 N ATOM 0 H ASN A 26 -3.877 -23.377 -7.229 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.662 -24.270 -5.049 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.170 -22.657 -5.027 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.523 -21.768 -4.356 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.115 -25.123 -2.375 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.685 -24.841 -4.065 1.00 0.00 H new ATOM 452 N PRO A 27 -7.341 -22.363 -5.428 1.00 0.00 N ATOM 453 CA PRO A 27 -8.412 -21.448 -5.844 1.00 0.00 C ATOM 454 C PRO A 27 -8.105 -19.967 -5.562 1.00 0.00 C ATOM 455 O PRO A 27 -8.830 -19.086 -6.021 1.00 0.00 O ATOM 456 CB PRO A 27 -9.647 -21.904 -5.057 1.00 0.00 C ATOM 457 CG PRO A 27 -9.049 -22.444 -3.760 1.00 0.00 C ATOM 458 CD PRO A 27 -7.753 -23.099 -4.236 1.00 0.00 C ATOM 0 HA PRO A 27 -8.548 -21.495 -6.924 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.334 -21.079 -4.871 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.207 -22.671 -5.593 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.860 -21.649 -3.039 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.712 -23.162 -3.276 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.985 -23.051 -3.464 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.910 -24.153 -4.464 1.00 0.00 H new ATOM 466 N VAL A 28 -7.044 -19.661 -4.806 1.00 0.00 N ATOM 467 CA VAL A 28 -6.732 -18.299 -4.345 1.00 0.00 C ATOM 468 C VAL A 28 -6.297 -17.390 -5.489 1.00 0.00 C ATOM 469 O VAL A 28 -6.669 -16.220 -5.525 1.00 0.00 O ATOM 470 CB VAL A 28 -5.682 -18.335 -3.222 1.00 0.00 C ATOM 471 CG1 VAL A 28 -5.784 -17.059 -2.400 1.00 0.00 C ATOM 472 CG2 VAL A 28 -5.846 -19.498 -2.227 1.00 0.00 C ATOM 0 H VAL A 28 -6.369 -20.359 -4.493 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.649 -17.871 -3.940 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.726 -18.454 -3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.041 -17.080 -1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.603 -16.197 -3.042 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.781 -16.985 -1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.063 -19.443 -1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.821 -19.430 -1.745 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.770 -20.446 -2.760 1.00 0.00 H new ATOM 482 N LEU A 29 -5.603 -17.923 -6.495 1.00 0.00 N ATOM 483 CA LEU A 29 -5.224 -17.181 -7.693 1.00 0.00 C ATOM 484 C LEU A 29 -6.454 -16.707 -8.487 1.00 0.00 C ATOM 485 O LEU A 29 -6.446 -15.604 -9.031 1.00 0.00 O ATOM 486 CB LEU A 29 -4.274 -18.041 -8.541 1.00 0.00 C ATOM 487 CG LEU A 29 -2.992 -18.455 -7.796 1.00 0.00 C ATOM 488 CD1 LEU A 29 -3.091 -19.854 -7.182 1.00 0.00 C ATOM 489 CD2 LEU A 29 -1.787 -18.451 -8.732 1.00 0.00 C ATOM 0 H LEU A 29 -5.286 -18.892 -6.499 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.698 -16.273 -7.398 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.801 -18.938 -8.867 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.000 -17.488 -9.440 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.869 -17.721 -7.000 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.159 -20.093 -6.670 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.915 -19.881 -6.469 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.270 -20.585 -7.970 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.896 -18.747 -8.179 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.958 -19.153 -9.548 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.645 -17.450 -9.139 1.00 0.00 H new ATOM 501 N ALA A 30 -7.547 -17.480 -8.449 1.00 0.00 N ATOM 502 CA ALA A 30 -8.855 -17.109 -9.000 1.00 0.00 C ATOM 503 C ALA A 30 -9.596 -15.991 -8.225 1.00 0.00 C ATOM 504 O ALA A 30 -10.696 -15.598 -8.621 1.00 0.00 O ATOM 505 CB ALA A 30 -9.716 -18.371 -9.120 1.00 0.00 C ATOM 0 H ALA A 30 -7.545 -18.406 -8.022 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.672 -16.672 -9.982 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.692 -18.108 -9.529 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.225 -19.085 -9.782 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.844 -18.819 -8.135 1.00 0.00 H new ATOM 511 N LYS A 31 -8.986 -15.447 -7.160 1.00 0.00 N ATOM 512 CA LYS A 31 -9.359 -14.197 -6.492 1.00 0.00 C ATOM 513 C LYS A 31 -8.271 -13.138 -6.623 1.00 0.00 C ATOM 514 O LYS A 31 -8.586 -11.994 -6.940 1.00 0.00 O ATOM 515 CB LYS A 31 -9.669 -14.442 -5.003 1.00 0.00 C ATOM 516 CG LYS A 31 -10.930 -15.284 -4.772 1.00 0.00 C ATOM 517 CD LYS A 31 -11.197 -15.433 -3.264 1.00 0.00 C ATOM 518 CE LYS A 31 -12.496 -16.193 -2.968 1.00 0.00 C ATOM 519 NZ LYS A 31 -13.707 -15.396 -3.303 1.00 0.00 N ATOM 0 H LYS A 31 -8.179 -15.892 -6.722 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.256 -13.826 -6.989 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.818 -14.942 -4.540 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.786 -13.481 -4.501 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.785 -14.812 -5.256 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.809 -16.267 -5.227 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.361 -15.956 -2.800 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.247 -14.444 -2.808 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.507 -17.123 -3.536 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.523 -16.464 -1.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.559 -15.951 -3.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.712 -14.520 -2.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.697 -15.159 -4.316 1.00 0.00 H new ATOM 533 N ILE A 32 -7.003 -13.510 -6.434 1.00 0.00 N ATOM 534 CA ILE A 32 -5.890 -12.549 -6.430 1.00 0.00 C ATOM 535 C ILE A 32 -5.751 -11.854 -7.783 1.00 0.00 C ATOM 536 O ILE A 32 -5.977 -10.649 -7.878 1.00 0.00 O ATOM 537 CB ILE A 32 -4.553 -13.184 -5.987 1.00 0.00 C ATOM 538 CG1 ILE A 32 -4.575 -13.864 -4.601 1.00 0.00 C ATOM 539 CG2 ILE A 32 -3.499 -12.070 -5.920 1.00 0.00 C ATOM 540 CD1 ILE A 32 -3.536 -14.993 -4.527 1.00 0.00 C ATOM 0 H ILE A 32 -6.717 -14.477 -6.280 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.137 -11.794 -5.684 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.337 -13.962 -6.719 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.371 -13.125 -3.826 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.569 -14.266 -4.404 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.543 -12.492 -5.609 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.391 -11.612 -6.903 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.814 -11.314 -5.200 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.571 -15.456 -3.541 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.757 -15.742 -5.288 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.541 -14.583 -4.700 1.00 0.00 H new ATOM 552 N LEU A 33 -5.435 -12.598 -8.847 1.00 0.00 N ATOM 553 CA LEU A 33 -5.300 -12.001 -10.178 1.00 0.00 C ATOM 554 C LEU A 33 -6.656 -11.598 -10.767 1.00 0.00 C ATOM 555 O LEU A 33 -6.708 -10.727 -11.630 1.00 0.00 O ATOM 556 CB LEU A 33 -4.483 -12.925 -11.094 1.00 0.00 C ATOM 557 CG LEU A 33 -5.299 -14.026 -11.794 1.00 0.00 C ATOM 558 CD1 LEU A 33 -5.660 -13.653 -13.234 1.00 0.00 C ATOM 559 CD2 LEU A 33 -4.546 -15.355 -11.839 1.00 0.00 C ATOM 0 H LEU A 33 -5.269 -13.604 -8.814 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.743 -11.068 -10.088 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.992 -12.318 -11.854 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.696 -13.395 -10.504 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.207 -14.129 -11.200 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.235 -14.461 -13.686 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.255 -12.740 -13.235 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.747 -13.492 -13.808 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.159 -16.103 -12.342 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.611 -15.225 -12.385 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.330 -15.685 -10.823 1.00 0.00 H new ATOM 571 N GLU A 34 -7.755 -12.193 -10.280 1.00 0.00 N ATOM 572 CA GLU A 34 -9.100 -11.751 -10.647 1.00 0.00 C ATOM 573 C GLU A 34 -9.324 -10.288 -10.230 1.00 0.00 C ATOM 574 O GLU A 34 -9.877 -9.503 -11.001 1.00 0.00 O ATOM 575 CB GLU A 34 -10.169 -12.690 -10.068 1.00 0.00 C ATOM 576 CG GLU A 34 -11.569 -12.354 -10.603 1.00 0.00 C ATOM 577 CD GLU A 34 -12.654 -13.298 -10.047 1.00 0.00 C ATOM 578 OE1 GLU A 34 -13.157 -13.052 -8.923 1.00 0.00 O ATOM 579 OE2 GLU A 34 -13.062 -14.246 -10.762 1.00 0.00 O ATOM 0 H GLU A 34 -7.734 -12.980 -9.632 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.194 -11.797 -11.732 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.922 -13.722 -10.318 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.168 -12.617 -8.980 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.818 -11.325 -10.341 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.563 -12.413 -11.691 1.00 0.00 H new ATOM 586 N ASP A 35 -8.823 -9.885 -9.056 1.00 0.00 N ATOM 587 CA ASP A 35 -8.776 -8.480 -8.665 1.00 0.00 C ATOM 588 C ASP A 35 -7.771 -7.665 -9.472 1.00 0.00 C ATOM 589 O ASP A 35 -8.139 -6.612 -9.997 1.00 0.00 O ATOM 590 CB ASP A 35 -8.450 -8.366 -7.176 1.00 0.00 C ATOM 591 CG ASP A 35 -9.465 -8.987 -6.207 1.00 0.00 C ATOM 592 OD1 ASP A 35 -10.677 -9.063 -6.535 1.00 0.00 O ATOM 593 OD2 ASP A 35 -9.028 -9.330 -5.082 1.00 0.00 O ATOM 0 H ASP A 35 -8.442 -10.523 -8.357 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.762 -8.065 -8.873 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.481 -8.833 -7.002 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.344 -7.310 -6.929 1.00 0.00 H new ATOM 598 N GLU A 36 -6.530 -8.133 -9.640 1.00 0.00 N ATOM 599 CA GLU A 36 -5.541 -7.377 -10.408 1.00 0.00 C ATOM 600 C GLU A 36 -5.951 -7.091 -11.862 1.00 0.00 C ATOM 601 O GLU A 36 -5.489 -6.109 -12.441 1.00 0.00 O ATOM 602 CB GLU A 36 -4.173 -8.063 -10.368 1.00 0.00 C ATOM 603 CG GLU A 36 -3.627 -8.366 -8.969 1.00 0.00 C ATOM 604 CD GLU A 36 -3.467 -7.159 -8.048 1.00 0.00 C ATOM 605 OE1 GLU A 36 -3.829 -6.003 -8.341 1.00 0.00 O ATOM 606 OE2 GLU A 36 -2.986 -7.312 -6.895 1.00 0.00 O ATOM 0 H GLU A 36 -6.192 -9.017 -9.261 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.480 -6.406 -9.916 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.239 -8.998 -10.924 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.454 -7.432 -10.891 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.291 -9.083 -8.487 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.657 -8.851 -9.074 1.00 0.00 H new ATOM 613 N GLU A 37 -6.866 -7.881 -12.431 1.00 0.00 N ATOM 614 CA GLU A 37 -7.352 -7.675 -13.807 1.00 0.00 C ATOM 615 C GLU A 37 -8.188 -6.387 -13.909 1.00 0.00 C ATOM 616 O GLU A 37 -8.151 -5.684 -14.921 1.00 0.00 O ATOM 617 CB GLU A 37 -8.144 -8.917 -14.256 1.00 0.00 C ATOM 618 CG GLU A 37 -8.372 -9.024 -15.775 1.00 0.00 C ATOM 619 CD GLU A 37 -9.496 -8.127 -16.339 1.00 0.00 C ATOM 620 OE1 GLU A 37 -10.581 -8.023 -15.717 1.00 0.00 O ATOM 621 OE2 GLU A 37 -9.327 -7.580 -17.457 1.00 0.00 O ATOM 0 H GLU A 37 -7.291 -8.678 -11.958 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.503 -7.547 -14.479 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.616 -9.809 -13.919 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.113 -8.912 -13.757 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.441 -8.775 -16.284 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.601 -10.061 -16.019 1.00 0.00 H new ATOM 628 N LYS A 38 -8.885 -6.047 -12.817 1.00 0.00 N ATOM 629 CA LYS A 38 -9.691 -4.832 -12.648 1.00 0.00 C ATOM 630 C LYS A 38 -8.854 -3.670 -12.144 1.00 0.00 C ATOM 631 O LYS A 38 -9.013 -2.567 -12.649 1.00 0.00 O ATOM 632 CB LYS A 38 -10.839 -5.123 -11.666 1.00 0.00 C ATOM 633 CG LYS A 38 -11.742 -6.267 -12.157 1.00 0.00 C ATOM 634 CD LYS A 38 -12.843 -6.673 -11.168 1.00 0.00 C ATOM 635 CE LYS A 38 -12.237 -7.282 -9.896 1.00 0.00 C ATOM 636 NZ LYS A 38 -13.247 -8.001 -9.079 1.00 0.00 N ATOM 0 H LYS A 38 -8.903 -6.641 -11.988 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.094 -4.546 -13.620 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.425 -5.381 -10.691 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.437 -4.222 -11.530 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.206 -5.969 -13.097 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.122 -7.138 -12.369 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.444 -5.802 -10.908 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.512 -7.393 -11.638 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.438 -7.971 -10.171 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.785 -6.491 -9.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.791 -8.395 -8.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.997 -7.340 -8.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.661 -8.773 -9.639 1.00 0.00 H new ATOM 650 N HIS A 39 -7.940 -3.903 -11.200 1.00 0.00 N ATOM 651 CA HIS A 39 -7.181 -2.889 -10.480 1.00 0.00 C ATOM 652 C HIS A 39 -6.487 -1.845 -11.363 1.00 0.00 C ATOM 653 O HIS A 39 -6.621 -0.653 -11.101 1.00 0.00 O ATOM 654 CB HIS A 39 -6.158 -3.628 -9.640 1.00 0.00 C ATOM 655 CG HIS A 39 -6.646 -4.167 -8.329 1.00 0.00 C ATOM 656 ND1 HIS A 39 -5.783 -4.441 -7.275 1.00 0.00 N ATOM 657 CD2 HIS A 39 -7.929 -4.444 -7.951 1.00 0.00 C ATOM 658 CE1 HIS A 39 -6.572 -4.867 -6.272 1.00 0.00 C ATOM 659 NE2 HIS A 39 -7.863 -4.854 -6.639 1.00 0.00 N ATOM 0 H HIS A 39 -7.701 -4.850 -10.906 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.883 -2.307 -9.883 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.767 -4.458 -10.228 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.323 -2.955 -9.445 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.817 -4.358 -8.560 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.214 -5.178 -5.301 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.656 -5.104 -6.049 1.00 0.00 H new ATOM 667 N ILE A 40 -5.776 -2.272 -12.411 1.00 0.00 N ATOM 668 CA ILE A 40 -5.040 -1.360 -13.307 1.00 0.00 C ATOM 669 C ILE A 40 -5.986 -0.382 -14.006 1.00 0.00 C ATOM 670 O ILE A 40 -5.668 0.798 -14.118 1.00 0.00 O ATOM 671 CB ILE A 40 -4.200 -2.164 -14.323 1.00 0.00 C ATOM 672 CG1 ILE A 40 -3.131 -2.956 -13.543 1.00 0.00 C ATOM 673 CG2 ILE A 40 -3.511 -1.290 -15.391 1.00 0.00 C ATOM 674 CD1 ILE A 40 -2.220 -3.781 -14.445 1.00 0.00 C ATOM 0 H ILE A 40 -5.691 -3.256 -12.666 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.356 -0.764 -12.702 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.882 -2.821 -14.863 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.524 -2.261 -12.962 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.625 -3.618 -12.832 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.940 -1.925 -16.068 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.266 -0.744 -15.956 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.840 -0.583 -14.904 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.490 -4.314 -13.835 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.818 -4.499 -15.007 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.700 -3.120 -15.139 1.00 0.00 H new ATOM 686 N GLU A 41 -7.163 -0.843 -14.430 1.00 0.00 N ATOM 687 CA GLU A 41 -8.198 0.039 -14.977 1.00 0.00 C ATOM 688 C GLU A 41 -8.900 0.834 -13.869 1.00 0.00 C ATOM 689 O GLU A 41 -9.119 2.033 -14.019 1.00 0.00 O ATOM 690 CB GLU A 41 -9.198 -0.771 -15.815 1.00 0.00 C ATOM 691 CG GLU A 41 -8.541 -1.402 -17.060 1.00 0.00 C ATOM 692 CD GLU A 41 -9.137 -0.848 -18.368 1.00 0.00 C ATOM 693 OE1 GLU A 41 -8.673 0.214 -18.849 1.00 0.00 O ATOM 694 OE2 GLU A 41 -10.068 -1.476 -18.930 1.00 0.00 O ATOM 0 H GLU A 41 -7.426 -1.828 -14.405 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.718 0.766 -15.632 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.633 -1.557 -15.198 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.016 -0.122 -16.128 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.468 -1.211 -17.040 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.672 -2.484 -17.031 1.00 0.00 H new ATOM 701 N TRP A 42 -9.169 0.212 -12.720 1.00 0.00 N ATOM 702 CA TRP A 42 -9.739 0.847 -11.524 1.00 0.00 C ATOM 703 C TRP A 42 -8.973 2.092 -11.033 1.00 0.00 C ATOM 704 O TRP A 42 -9.631 3.046 -10.639 1.00 0.00 O ATOM 705 CB TRP A 42 -9.894 -0.221 -10.426 1.00 0.00 C ATOM 706 CG TRP A 42 -11.127 -1.067 -10.445 1.00 0.00 C ATOM 707 CD1 TRP A 42 -12.112 -1.039 -11.372 1.00 0.00 C ATOM 708 CD2 TRP A 42 -11.530 -2.076 -9.465 1.00 0.00 C ATOM 709 NE1 TRP A 42 -13.106 -1.929 -11.018 1.00 0.00 N ATOM 710 CE2 TRP A 42 -12.800 -2.600 -9.852 1.00 0.00 C ATOM 711 CE3 TRP A 42 -10.949 -2.600 -8.290 1.00 0.00 C ATOM 712 CZ2 TRP A 42 -13.459 -3.593 -9.110 1.00 0.00 C ATOM 713 CZ3 TRP A 42 -11.596 -3.606 -7.544 1.00 0.00 C ATOM 714 CH2 TRP A 42 -12.847 -4.102 -7.952 1.00 0.00 C ATOM 0 H TRP A 42 -8.991 -0.784 -12.589 1.00 0.00 H new ATOM 0 HA TRP A 42 -10.717 1.244 -11.795 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.031 -0.885 -10.481 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.848 0.282 -9.460 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.119 -0.416 -12.254 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -13.962 -2.073 -11.553 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -9.993 -2.224 -7.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.424 -3.961 -9.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.128 -3.998 -6.653 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.337 -4.873 -7.376 1.00 0.00 H new ATOM 725 N LEU A 43 -7.634 2.144 -11.108 1.00 0.00 N ATOM 726 CA LEU A 43 -6.795 3.332 -10.802 1.00 0.00 C ATOM 727 C LEU A 43 -6.524 4.255 -12.012 1.00 0.00 C ATOM 728 O LEU A 43 -5.866 5.284 -11.866 1.00 0.00 O ATOM 729 CB LEU A 43 -5.516 2.898 -10.060 1.00 0.00 C ATOM 730 CG LEU A 43 -4.621 1.934 -10.857 1.00 0.00 C ATOM 731 CD1 LEU A 43 -3.367 2.616 -11.379 1.00 0.00 C ATOM 732 CD2 LEU A 43 -4.127 0.775 -9.999 1.00 0.00 C ATOM 0 H LEU A 43 -7.079 1.337 -11.392 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.375 3.969 -10.134 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.938 3.786 -9.806 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.798 2.422 -9.121 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.250 1.584 -11.675 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.766 1.896 -11.935 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.647 3.439 -12.036 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.787 3.002 -10.541 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.499 0.119 -10.601 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.548 1.163 -9.161 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.981 0.213 -9.620 1.00 0.00 H new ATOM 744 N GLU A 44 -7.074 3.944 -13.188 1.00 0.00 N ATOM 745 CA GLU A 44 -7.001 4.756 -14.415 1.00 0.00 C ATOM 746 C GLU A 44 -8.321 5.475 -14.693 1.00 0.00 C ATOM 747 O GLU A 44 -8.316 6.672 -14.965 1.00 0.00 O ATOM 748 CB GLU A 44 -6.655 3.833 -15.601 1.00 0.00 C ATOM 749 CG GLU A 44 -5.372 4.212 -16.358 1.00 0.00 C ATOM 750 CD GLU A 44 -5.567 5.120 -17.597 1.00 0.00 C ATOM 751 OE1 GLU A 44 -6.715 5.414 -18.004 1.00 0.00 O ATOM 752 OE2 GLU A 44 -4.543 5.517 -18.205 1.00 0.00 O ATOM 0 H GLU A 44 -7.606 3.084 -13.322 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.231 5.516 -14.283 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.555 2.812 -15.232 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.489 3.838 -16.303 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.698 4.715 -15.664 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.876 3.295 -16.677 1.00 0.00 H new ATOM 759 N THR A 45 -9.455 4.793 -14.516 1.00 0.00 N ATOM 760 CA THR A 45 -10.802 5.373 -14.561 1.00 0.00 C ATOM 761 C THR A 45 -10.915 6.658 -13.730 1.00 0.00 C ATOM 762 O THR A 45 -11.556 7.624 -14.145 1.00 0.00 O ATOM 763 CB THR A 45 -11.828 4.329 -14.099 1.00 0.00 C ATOM 764 OG1 THR A 45 -11.877 3.248 -15.010 1.00 0.00 O ATOM 765 CG2 THR A 45 -13.253 4.863 -13.958 1.00 0.00 C ATOM 0 H THR A 45 -9.463 3.790 -14.331 1.00 0.00 H new ATOM 0 HA THR A 45 -11.010 5.654 -15.593 1.00 0.00 H new ATOM 0 HB THR A 45 -11.482 4.022 -13.112 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.089 2.679 -14.885 1.00 0.00 H new ATOM 0 HG21 THR A 45 -13.912 4.060 -13.628 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.268 5.669 -13.225 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.597 5.241 -14.921 1.00 0.00 H new ATOM 773 N ILE A 46 -10.233 6.693 -12.582 1.00 0.00 N ATOM 774 CA ILE A 46 -10.218 7.823 -11.637 1.00 0.00 C ATOM 775 C ILE A 46 -9.629 9.103 -12.237 1.00 0.00 C ATOM 776 O ILE A 46 -10.104 10.200 -11.935 1.00 0.00 O ATOM 777 CB ILE A 46 -9.468 7.472 -10.326 1.00 0.00 C ATOM 778 CG1 ILE A 46 -9.683 5.994 -9.946 1.00 0.00 C ATOM 779 CG2 ILE A 46 -9.908 8.423 -9.200 1.00 0.00 C ATOM 780 CD1 ILE A 46 -9.179 5.573 -8.568 1.00 0.00 C ATOM 0 H ILE A 46 -9.656 5.912 -12.271 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.266 8.016 -11.408 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.398 7.607 -10.483 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.750 5.778 -10.002 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.192 5.373 -10.695 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.377 8.170 -8.282 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.678 9.451 -9.481 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.981 8.323 -9.038 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.385 4.514 -8.413 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.105 5.746 -8.505 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -9.687 6.158 -7.801 1.00 0.00 H new ATOM 792 N LEU A 47 -8.606 8.980 -13.090 1.00 0.00 N ATOM 793 CA LEU A 47 -7.905 10.146 -13.642 1.00 0.00 C ATOM 794 C LEU A 47 -8.787 10.994 -14.583 1.00 0.00 C ATOM 795 O LEU A 47 -8.585 12.206 -14.691 1.00 0.00 O ATOM 796 CB LEU A 47 -6.544 9.733 -14.247 1.00 0.00 C ATOM 797 CG LEU A 47 -6.537 9.262 -15.718 1.00 0.00 C ATOM 798 CD1 LEU A 47 -6.368 10.412 -16.712 1.00 0.00 C ATOM 799 CD2 LEU A 47 -5.364 8.310 -15.953 1.00 0.00 C ATOM 0 H LEU A 47 -8.244 8.083 -13.414 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.683 10.822 -12.816 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.865 10.581 -14.161 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.132 8.932 -13.634 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.502 8.782 -15.882 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.371 10.018 -17.728 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.190 11.118 -16.594 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.423 10.921 -16.523 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.365 7.981 -16.992 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.428 8.825 -15.736 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.462 7.444 -15.299 1.00 0.00 H new ATOM 811 N GLY A 48 -9.771 10.369 -15.243 1.00 0.00 N ATOM 812 CA GLY A 48 -10.700 11.028 -16.172 1.00 0.00 C ATOM 813 C GLY A 48 -11.411 10.090 -17.162 1.00 0.00 C ATOM 814 O GLY A 48 -11.768 10.505 -18.264 1.00 0.00 O ATOM 0 H GLY A 48 -9.948 9.369 -15.144 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.455 11.557 -15.591 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.150 11.779 -16.739 1.00 0.00 H new HETATM 818 N NH2 A 49 -11.598 8.817 -16.833 1.00 0.00 N TER 821 NH2 A 49 HETATM 822 C ACE B 0 10.384 -20.252 -5.947 1.00 0.00 C HETATM 823 O ACE B 0 9.552 -19.604 -5.320 1.00 0.00 O HETATM 824 CH3 ACE B 0 10.091 -21.676 -6.336 1.00 0.00 C HETATM 0 H1 ACE B 0 10.124 -21.771 -7.421 1.00 0.00 H new HETATM 0 H2 ACE B 0 10.837 -22.335 -5.892 1.00 0.00 H new HETATM 0 H3 ACE B 0 9.100 -21.955 -5.977 1.00 0.00 H new ATOM 828 N ASP B 1 11.555 -19.744 -6.333 1.00 0.00 N ATOM 829 CA ASP B 1 12.016 -18.380 -6.005 1.00 0.00 C ATOM 830 C ASP B 1 11.028 -17.280 -6.442 1.00 0.00 C ATOM 831 O ASP B 1 10.881 -16.246 -5.785 1.00 0.00 O ATOM 832 CB ASP B 1 13.403 -18.153 -6.635 1.00 0.00 C ATOM 833 CG ASP B 1 14.264 -17.168 -5.816 1.00 0.00 C ATOM 834 OD1 ASP B 1 14.133 -15.936 -5.994 1.00 0.00 O ATOM 835 OD2 ASP B 1 15.092 -17.637 -5.004 1.00 0.00 O ATOM 0 H ASP B 1 12.226 -20.271 -6.892 1.00 0.00 H new ATOM 0 HA ASP B 1 12.078 -18.305 -4.919 1.00 0.00 H new ATOM 0 HB2 ASP B 1 13.924 -19.107 -6.715 1.00 0.00 H new ATOM 0 HB3 ASP B 1 13.281 -17.770 -7.648 1.00 0.00 H new ATOM 840 N TYR B 2 10.282 -17.546 -7.520 1.00 0.00 N ATOM 841 CA TYR B 2 9.226 -16.677 -8.036 1.00 0.00 C ATOM 842 C TYR B 2 8.150 -16.339 -6.995 1.00 0.00 C ATOM 843 O TYR B 2 7.698 -15.205 -6.961 1.00 0.00 O ATOM 844 CB TYR B 2 8.592 -17.296 -9.289 1.00 0.00 C ATOM 845 CG TYR B 2 7.593 -18.411 -9.040 1.00 0.00 C ATOM 846 CD1 TYR B 2 8.025 -19.746 -8.917 1.00 0.00 C ATOM 847 CD2 TYR B 2 6.228 -18.094 -8.894 1.00 0.00 C ATOM 848 CE1 TYR B 2 7.094 -20.758 -8.612 1.00 0.00 C ATOM 849 CE2 TYR B 2 5.299 -19.099 -8.580 1.00 0.00 C ATOM 850 CZ TYR B 2 5.733 -20.433 -8.427 1.00 0.00 C ATOM 851 OH TYR B 2 4.849 -21.396 -8.065 1.00 0.00 O ATOM 0 H TYR B 2 10.402 -18.396 -8.071 1.00 0.00 H new ATOM 0 HA TYR B 2 9.702 -15.732 -8.297 1.00 0.00 H new ATOM 0 HB2 TYR B 2 8.093 -16.505 -9.850 1.00 0.00 H new ATOM 0 HB3 TYR B 2 9.389 -17.683 -9.924 1.00 0.00 H new ATOM 0 HD1 TYR B 2 9.067 -19.993 -9.056 1.00 0.00 H new ATOM 0 HD2 TYR B 2 5.895 -17.075 -9.024 1.00 0.00 H new ATOM 0 HE1 TYR B 2 7.422 -21.783 -8.520 1.00 0.00 H new ATOM 0 HE2 TYR B 2 4.255 -18.852 -8.456 1.00 0.00 H new ATOM 0 HH TYR B 2 3.955 -21.004 -7.979 1.00 0.00 H new ATOM 861 N LEU B 3 7.778 -17.276 -6.117 1.00 0.00 N ATOM 862 CA LEU B 3 6.754 -17.125 -5.056 1.00 0.00 C ATOM 863 C LEU B 3 7.086 -15.976 -4.086 1.00 0.00 C ATOM 864 O LEU B 3 6.194 -15.312 -3.551 1.00 0.00 O ATOM 865 CB LEU B 3 6.654 -18.411 -4.217 1.00 0.00 C ATOM 866 CG LEU B 3 6.044 -19.593 -4.976 1.00 0.00 C ATOM 867 CD1 LEU B 3 6.312 -20.899 -4.232 1.00 0.00 C ATOM 868 CD2 LEU B 3 4.525 -19.431 -5.132 1.00 0.00 C ATOM 0 H LEU B 3 8.197 -18.206 -6.119 1.00 0.00 H new ATOM 0 HA LEU B 3 5.816 -16.912 -5.568 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.650 -18.687 -3.871 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.053 -18.210 -3.330 1.00 0.00 H new ATOM 0 HG LEU B 3 6.509 -19.618 -5.962 1.00 0.00 H new ATOM 0 HD11 LEU B 3 5.872 -21.729 -4.784 1.00 0.00 H new ATOM 0 HD12 LEU B 3 7.387 -21.052 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU B 3 5.868 -20.849 -3.238 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.122 -20.286 -5.675 1.00 0.00 H new ATOM 0 HD22 LEU B 3 4.062 -19.375 -4.147 1.00 0.00 H new ATOM 0 HD23 LEU B 3 4.312 -18.516 -5.685 1.00 0.00 H new ATOM 880 N ARG B 4 8.385 -15.745 -3.867 1.00 0.00 N ATOM 881 CA ARG B 4 8.912 -14.614 -3.087 1.00 0.00 C ATOM 882 C ARG B 4 8.979 -13.332 -3.919 1.00 0.00 C ATOM 883 O ARG B 4 8.597 -12.269 -3.438 1.00 0.00 O ATOM 884 CB ARG B 4 10.293 -14.992 -2.528 1.00 0.00 C ATOM 885 CG ARG B 4 10.812 -13.963 -1.509 1.00 0.00 C ATOM 886 CD ARG B 4 12.209 -14.333 -0.994 1.00 0.00 C ATOM 887 NE ARG B 4 13.229 -14.238 -2.060 1.00 0.00 N ATOM 888 CZ ARG B 4 14.499 -14.592 -1.975 1.00 0.00 C ATOM 889 NH1 ARG B 4 15.015 -15.064 -0.875 1.00 0.00 N ATOM 890 NH2 ARG B 4 15.282 -14.474 -3.006 1.00 0.00 N ATOM 0 H ARG B 4 9.118 -16.352 -4.235 1.00 0.00 H new ATOM 0 HA ARG B 4 8.232 -14.409 -2.260 1.00 0.00 H new ATOM 0 HB2 ARG B 4 10.235 -15.972 -2.054 1.00 0.00 H new ATOM 0 HB3 ARG B 4 11.004 -15.077 -3.350 1.00 0.00 H new ATOM 0 HG2 ARG B 4 10.844 -12.976 -1.971 1.00 0.00 H new ATOM 0 HG3 ARG B 4 10.119 -13.900 -0.670 1.00 0.00 H new ATOM 0 HD2 ARG B 4 12.480 -13.672 -0.171 1.00 0.00 H new ATOM 0 HD3 ARG B 4 12.193 -15.347 -0.595 1.00 0.00 H new ATOM 0 HE ARG B 4 12.920 -13.859 -2.955 1.00 0.00 H new ATOM 0 HH11 ARG B 4 14.434 -15.170 -0.044 1.00 0.00 H new ATOM 0 HH12 ARG B 4 16.000 -15.327 -0.846 1.00 0.00 H new ATOM 0 HH21 ARG B 4 14.916 -14.107 -3.885 1.00 0.00 H new ATOM 0 HH22 ARG B 4 16.262 -14.748 -2.936 1.00 0.00 H new ATOM 904 N GLU B 5 9.409 -13.422 -5.177 1.00 0.00 N ATOM 905 CA GLU B 5 9.437 -12.262 -6.090 1.00 0.00 C ATOM 906 C GLU B 5 8.022 -11.690 -6.343 1.00 0.00 C ATOM 907 O GLU B 5 7.832 -10.478 -6.459 1.00 0.00 O ATOM 908 CB GLU B 5 10.151 -12.658 -7.391 1.00 0.00 C ATOM 909 CG GLU B 5 10.406 -11.456 -8.307 1.00 0.00 C ATOM 910 CD GLU B 5 11.331 -11.832 -9.482 1.00 0.00 C ATOM 911 OE1 GLU B 5 10.871 -12.509 -10.434 1.00 0.00 O ATOM 912 OE2 GLU B 5 12.523 -11.438 -9.471 1.00 0.00 O ATOM 0 H GLU B 5 9.746 -14.288 -5.596 1.00 0.00 H new ATOM 0 HA GLU B 5 9.999 -11.455 -5.620 1.00 0.00 H new ATOM 0 HB2 GLU B 5 11.101 -13.136 -7.150 1.00 0.00 H new ATOM 0 HB3 GLU B 5 9.549 -13.395 -7.923 1.00 0.00 H new ATOM 0 HG2 GLU B 5 9.457 -11.083 -8.693 1.00 0.00 H new ATOM 0 HG3 GLU B 5 10.856 -10.647 -7.732 1.00 0.00 H new ATOM 919 N LEU B 6 7.025 -12.578 -6.330 1.00 0.00 N ATOM 920 CA LEU B 6 5.581 -12.347 -6.306 1.00 0.00 C ATOM 921 C LEU B 6 5.147 -11.375 -5.197 1.00 0.00 C ATOM 922 O LEU B 6 4.548 -10.335 -5.477 1.00 0.00 O ATOM 923 CB LEU B 6 4.933 -13.737 -6.093 1.00 0.00 C ATOM 924 CG LEU B 6 4.154 -14.380 -7.236 1.00 0.00 C ATOM 925 CD1 LEU B 6 2.784 -13.740 -7.368 1.00 0.00 C ATOM 926 CD2 LEU B 6 4.849 -14.352 -8.597 1.00 0.00 C ATOM 0 H LEU B 6 7.231 -13.577 -6.337 1.00 0.00 H new ATOM 0 HA LEU B 6 5.264 -11.879 -7.238 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.726 -14.428 -5.808 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.258 -13.657 -5.241 1.00 0.00 H new ATOM 0 HG LEU B 6 4.077 -15.431 -6.958 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.240 -14.210 -8.188 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.228 -13.875 -6.440 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.898 -12.675 -7.571 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.213 -14.833 -9.340 1.00 0.00 H new ATOM 0 HD22 LEU B 6 5.032 -13.318 -8.891 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.798 -14.884 -8.532 1.00 0.00 H new ATOM 938 N LEU B 7 5.434 -11.719 -3.934 1.00 0.00 N ATOM 939 CA LEU B 7 4.925 -11.016 -2.765 1.00 0.00 C ATOM 940 C LEU B 7 5.662 -9.688 -2.474 1.00 0.00 C ATOM 941 O LEU B 7 5.056 -8.773 -1.910 1.00 0.00 O ATOM 942 CB LEU B 7 4.823 -12.023 -1.592 1.00 0.00 C ATOM 943 CG LEU B 7 5.620 -11.720 -0.324 1.00 0.00 C ATOM 944 CD1 LEU B 7 5.044 -12.500 0.858 1.00 0.00 C ATOM 945 CD2 LEU B 7 7.102 -12.067 -0.430 1.00 0.00 C ATOM 0 H LEU B 7 6.037 -12.508 -3.700 1.00 0.00 H new ATOM 0 HA LEU B 7 3.915 -10.652 -2.954 1.00 0.00 H new ATOM 0 HB2 LEU B 7 3.772 -12.110 -1.315 1.00 0.00 H new ATOM 0 HB3 LEU B 7 5.137 -13.000 -1.960 1.00 0.00 H new ATOM 0 HG LEU B 7 5.536 -10.643 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU B 7 5.619 -12.277 1.756 1.00 0.00 H new ATOM 0 HD12 LEU B 7 4.004 -12.212 1.012 1.00 0.00 H new ATOM 0 HD13 LEU B 7 5.097 -13.569 0.649 1.00 0.00 H new ATOM 0 HD21 LEU B 7 7.601 -11.824 0.508 1.00 0.00 H new ATOM 0 HD22 LEU B 7 7.213 -13.132 -0.634 1.00 0.00 H new ATOM 0 HD23 LEU B 7 7.553 -11.493 -1.240 1.00 0.00 H new ATOM 957 N LYS B 8 6.943 -9.560 -2.863 1.00 0.00 N ATOM 958 CA LYS B 8 7.803 -8.383 -2.609 1.00 0.00 C ATOM 959 C LYS B 8 7.423 -7.140 -3.436 1.00 0.00 C ATOM 960 O LYS B 8 8.161 -6.715 -4.327 1.00 0.00 O ATOM 961 CB LYS B 8 9.301 -8.731 -2.765 1.00 0.00 C ATOM 962 CG LYS B 8 9.883 -9.555 -1.600 1.00 0.00 C ATOM 963 CD LYS B 8 11.324 -9.133 -1.263 1.00 0.00 C ATOM 964 CE LYS B 8 12.300 -9.324 -2.435 1.00 0.00 C ATOM 965 NZ LYS B 8 13.539 -8.522 -2.254 1.00 0.00 N ATOM 0 H LYS B 8 7.427 -10.295 -3.380 1.00 0.00 H new ATOM 0 HA LYS B 8 7.622 -8.109 -1.570 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.439 -9.287 -3.693 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.869 -7.806 -2.860 1.00 0.00 H new ATOM 0 HG2 LYS B 8 9.253 -9.433 -0.719 1.00 0.00 H new ATOM 0 HG3 LYS B 8 9.866 -10.613 -1.860 1.00 0.00 H new ATOM 0 HD2 LYS B 8 11.328 -8.085 -0.962 1.00 0.00 H new ATOM 0 HD3 LYS B 8 11.675 -9.711 -0.408 1.00 0.00 H new ATOM 0 HE2 LYS B 8 12.559 -10.379 -2.525 1.00 0.00 H new ATOM 0 HE3 LYS B 8 11.812 -9.035 -3.366 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 14.174 -8.676 -3.063 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 13.294 -7.513 -2.193 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 14.018 -8.815 -1.378 1.00 0.00 H new ATOM 979 N GLY B 9 6.281 -6.528 -3.113 1.00 0.00 N ATOM 980 CA GLY B 9 5.974 -5.153 -3.497 1.00 0.00 C ATOM 981 C GLY B 9 4.524 -4.705 -3.491 1.00 0.00 C ATOM 982 O GLY B 9 4.239 -3.526 -3.682 1.00 0.00 O ATOM 0 H GLY B 9 5.541 -6.978 -2.574 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.528 -4.491 -2.831 1.00 0.00 H new ATOM 0 HA3 GLY B 9 6.366 -4.994 -4.502 1.00 0.00 H new ATOM 986 N GLU B 10 3.595 -5.612 -3.235 1.00 0.00 N ATOM 987 CA GLU B 10 2.165 -5.311 -3.138 1.00 0.00 C ATOM 988 C GLU B 10 1.858 -4.237 -2.058 1.00 0.00 C ATOM 989 O GLU B 10 1.032 -3.353 -2.284 1.00 0.00 O ATOM 990 CB GLU B 10 1.443 -6.661 -2.953 1.00 0.00 C ATOM 991 CG GLU B 10 1.208 -7.407 -4.285 1.00 0.00 C ATOM 992 CD GLU B 10 -0.266 -7.680 -4.598 1.00 0.00 C ATOM 993 OE1 GLU B 10 -1.243 -7.451 -3.866 1.00 0.00 O ATOM 994 OE2 GLU B 10 -0.751 -7.919 -5.716 1.00 0.00 O ATOM 0 H GLU B 10 3.812 -6.597 -3.085 1.00 0.00 H new ATOM 0 HA GLU B 10 1.789 -4.839 -4.045 1.00 0.00 H new ATOM 0 HB2 GLU B 10 2.031 -7.293 -2.288 1.00 0.00 H new ATOM 0 HB3 GLU B 10 0.484 -6.490 -2.465 1.00 0.00 H new ATOM 0 HG2 GLU B 10 1.638 -6.822 -5.098 1.00 0.00 H new ATOM 0 HG3 GLU B 10 1.744 -8.356 -4.257 1.00 0.00 H new ATOM 1001 N LEU B 11 2.612 -4.205 -0.949 1.00 0.00 N ATOM 1002 CA LEU B 11 2.620 -3.183 0.107 1.00 0.00 C ATOM 1003 C LEU B 11 3.246 -1.838 -0.267 1.00 0.00 C ATOM 1004 O LEU B 11 2.849 -0.809 0.278 1.00 0.00 O ATOM 1005 CB LEU B 11 3.250 -3.872 1.322 1.00 0.00 C ATOM 1006 CG LEU B 11 4.780 -3.948 1.253 1.00 0.00 C ATOM 1007 CD1 LEU B 11 5.401 -2.828 2.086 1.00 0.00 C ATOM 1008 CD2 LEU B 11 5.279 -5.304 1.736 1.00 0.00 C ATOM 0 H LEU B 11 3.282 -4.949 -0.753 1.00 0.00 H new ATOM 0 HA LEU B 11 1.604 -2.851 0.319 1.00 0.00 H new ATOM 0 HB2 LEU B 11 2.961 -3.335 2.225 1.00 0.00 H new ATOM 0 HB3 LEU B 11 2.847 -4.881 1.408 1.00 0.00 H new ATOM 0 HG LEU B 11 5.082 -3.825 0.213 1.00 0.00 H new ATOM 0 HD11 LEU B 11 6.488 -2.892 2.029 1.00 0.00 H new ATOM 0 HD12 LEU B 11 5.074 -1.863 1.699 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.085 -2.929 3.124 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.367 -5.333 1.677 1.00 0.00 H new ATOM 0 HD22 LEU B 11 4.967 -5.460 2.769 1.00 0.00 H new ATOM 0 HD23 LEU B 11 4.861 -6.090 1.108 1.00 0.00 H new ATOM 1020 N GLN B 12 4.141 -1.819 -1.253 1.00 0.00 N ATOM 1021 CA GLN B 12 4.583 -0.590 -1.895 1.00 0.00 C ATOM 1022 C GLN B 12 3.390 0.082 -2.606 1.00 0.00 C ATOM 1023 O GLN B 12 3.223 1.299 -2.556 1.00 0.00 O ATOM 1024 CB GLN B 12 5.741 -0.907 -2.859 1.00 0.00 C ATOM 1025 CG GLN B 12 6.730 0.260 -2.957 1.00 0.00 C ATOM 1026 CD GLN B 12 7.769 0.035 -4.053 1.00 0.00 C ATOM 1027 OE1 GLN B 12 8.609 -0.856 -3.987 1.00 0.00 O ATOM 1028 NE2 GLN B 12 7.755 0.824 -5.107 1.00 0.00 N ATOM 0 H GLN B 12 4.579 -2.660 -1.628 1.00 0.00 H new ATOM 0 HA GLN B 12 4.956 0.116 -1.153 1.00 0.00 H new ATOM 0 HB2 GLN B 12 6.264 -1.800 -2.518 1.00 0.00 H new ATOM 0 HB3 GLN B 12 5.341 -1.130 -3.848 1.00 0.00 H new ATOM 0 HG2 GLN B 12 6.185 1.182 -3.158 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.235 0.390 -2.000 1.00 0.00 H new ATOM 0 HE21 GLN B 12 7.063 1.570 -5.177 1.00 0.00 H new ATOM 0 HE22 GLN B 12 8.437 0.689 -5.854 1.00 0.00 H new ATOM 1037 N GLY B 13 2.489 -0.732 -3.168 1.00 0.00 N ATOM 1038 CA GLY B 13 1.216 -0.303 -3.743 1.00 0.00 C ATOM 1039 C GLY B 13 0.261 0.226 -2.675 1.00 0.00 C ATOM 1040 O GLY B 13 -0.182 1.367 -2.781 1.00 0.00 O ATOM 0 H GLY B 13 2.634 -1.739 -3.236 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.396 0.474 -4.486 1.00 0.00 H new ATOM 0 HA3 GLY B 13 0.751 -1.141 -4.263 1.00 0.00 H new ATOM 1044 N ILE B 14 0.015 -0.545 -1.600 1.00 0.00 N ATOM 1045 CA ILE B 14 -0.856 -0.140 -0.469 1.00 0.00 C ATOM 1046 C ILE B 14 -0.502 1.266 0.037 1.00 0.00 C ATOM 1047 O ILE B 14 -1.388 2.110 0.206 1.00 0.00 O ATOM 1048 CB ILE B 14 -0.808 -1.151 0.706 1.00 0.00 C ATOM 1049 CG1 ILE B 14 -1.269 -2.558 0.280 1.00 0.00 C ATOM 1050 CG2 ILE B 14 -1.704 -0.688 1.872 1.00 0.00 C ATOM 1051 CD1 ILE B 14 -1.050 -3.651 1.336 1.00 0.00 C ATOM 0 H ILE B 14 0.416 -1.476 -1.486 1.00 0.00 H new ATOM 0 HA ILE B 14 -1.874 -0.129 -0.859 1.00 0.00 H new ATOM 0 HB ILE B 14 0.234 -1.196 1.024 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -2.330 -2.519 0.032 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.739 -2.839 -0.630 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -1.652 -1.415 2.682 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -1.360 0.282 2.232 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -2.735 -0.603 1.527 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -1.404 -4.607 0.949 1.00 0.00 H new ATOM 0 HD12 ILE B 14 0.012 -3.724 1.569 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -1.603 -3.399 2.241 1.00 0.00 H new ATOM 1063 N LYS B 15 0.791 1.534 0.260 1.00 0.00 N ATOM 1064 CA LYS B 15 1.255 2.822 0.789 1.00 0.00 C ATOM 1065 C LYS B 15 1.030 3.994 -0.166 1.00 0.00 C ATOM 1066 O LYS B 15 0.735 5.104 0.275 1.00 0.00 O ATOM 1067 CB LYS B 15 2.735 2.727 1.199 1.00 0.00 C ATOM 1068 CG LYS B 15 2.905 1.991 2.536 1.00 0.00 C ATOM 1069 CD LYS B 15 4.368 2.019 3.001 1.00 0.00 C ATOM 1070 CE LYS B 15 4.473 1.500 4.440 1.00 0.00 C ATOM 1071 NZ LYS B 15 5.861 1.610 4.961 1.00 0.00 N ATOM 0 H LYS B 15 1.541 0.867 0.080 1.00 0.00 H new ATOM 0 HA LYS B 15 0.646 3.033 1.668 1.00 0.00 H new ATOM 0 HB2 LYS B 15 3.296 2.206 0.423 1.00 0.00 H new ATOM 0 HB3 LYS B 15 3.156 3.729 1.279 1.00 0.00 H new ATOM 0 HG2 LYS B 15 2.271 2.454 3.292 1.00 0.00 H new ATOM 0 HG3 LYS B 15 2.573 0.958 2.431 1.00 0.00 H new ATOM 0 HD2 LYS B 15 4.980 1.406 2.339 1.00 0.00 H new ATOM 0 HD3 LYS B 15 4.757 3.036 2.943 1.00 0.00 H new ATOM 0 HE2 LYS B 15 3.797 2.065 5.082 1.00 0.00 H new ATOM 0 HE3 LYS B 15 4.151 0.459 4.476 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 5.895 1.250 5.936 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 6.502 1.050 4.363 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 6.158 2.607 4.949 1.00 0.00 H new ATOM 1085 N GLN B 16 1.132 3.751 -1.468 1.00 0.00 N ATOM 1086 CA GLN B 16 0.955 4.758 -2.507 1.00 0.00 C ATOM 1087 C GLN B 16 -0.520 5.009 -2.857 1.00 0.00 C ATOM 1088 O GLN B 16 -0.903 6.153 -3.111 1.00 0.00 O ATOM 1089 CB GLN B 16 1.771 4.333 -3.732 1.00 0.00 C ATOM 1090 CG GLN B 16 3.208 4.879 -3.748 1.00 0.00 C ATOM 1091 CD GLN B 16 4.188 4.341 -2.702 1.00 0.00 C ATOM 1092 OE1 GLN B 16 5.088 3.564 -2.992 1.00 0.00 O ATOM 1093 NE2 GLN B 16 4.135 4.801 -1.468 1.00 0.00 N ATOM 0 H GLN B 16 1.345 2.825 -1.839 1.00 0.00 H new ATOM 0 HA GLN B 16 1.319 5.715 -2.133 1.00 0.00 H new ATOM 0 HB2 GLN B 16 1.807 3.244 -3.772 1.00 0.00 H new ATOM 0 HB3 GLN B 16 1.256 4.668 -4.632 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.630 4.683 -4.734 1.00 0.00 H new ATOM 0 HG3 GLN B 16 3.156 5.962 -3.633 1.00 0.00 H new ATOM 0 HE21 GLN B 16 3.396 5.450 -1.197 1.00 0.00 H new ATOM 0 HE22 GLN B 16 4.833 4.508 -0.784 1.00 0.00 H new ATOM 1102 N TYR B 17 -1.373 3.987 -2.778 1.00 0.00 N ATOM 1103 CA TYR B 17 -2.821 4.127 -2.917 1.00 0.00 C ATOM 1104 C TYR B 17 -3.423 5.050 -1.863 1.00 0.00 C ATOM 1105 O TYR B 17 -4.341 5.815 -2.171 1.00 0.00 O ATOM 1106 CB TYR B 17 -3.498 2.758 -2.813 1.00 0.00 C ATOM 1107 CG TYR B 17 -3.326 1.873 -4.031 1.00 0.00 C ATOM 1108 CD1 TYR B 17 -3.633 2.375 -5.310 1.00 0.00 C ATOM 1109 CD2 TYR B 17 -2.876 0.546 -3.890 1.00 0.00 C ATOM 1110 CE1 TYR B 17 -3.477 1.563 -6.443 1.00 0.00 C ATOM 1111 CE2 TYR B 17 -2.702 -0.266 -5.025 1.00 0.00 C ATOM 1112 CZ TYR B 17 -3.018 0.238 -6.300 1.00 0.00 C ATOM 1113 OH TYR B 17 -2.996 -0.594 -7.371 1.00 0.00 O ATOM 0 H TYR B 17 -1.072 3.026 -2.613 1.00 0.00 H new ATOM 0 HA TYR B 17 -2.998 4.569 -3.898 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -3.100 2.236 -1.942 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -4.563 2.907 -2.636 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -3.990 3.389 -5.419 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -2.664 0.151 -2.908 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -3.708 1.952 -7.423 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.327 -1.273 -4.918 1.00 0.00 H new ATOM 0 HH TYR B 17 -2.651 -1.470 -7.098 1.00 0.00 H new ATOM 1123 N ARG B 18 -2.896 5.012 -0.631 1.00 0.00 N ATOM 1124 CA ARG B 18 -3.409 5.872 0.442 1.00 0.00 C ATOM 1125 C ARG B 18 -3.191 7.367 0.155 1.00 0.00 C ATOM 1126 O ARG B 18 -4.074 8.180 0.424 1.00 0.00 O ATOM 1127 CB ARG B 18 -2.841 5.431 1.803 1.00 0.00 C ATOM 1128 CG ARG B 18 -3.954 4.819 2.668 1.00 0.00 C ATOM 1129 CD ARG B 18 -3.476 4.390 4.061 1.00 0.00 C ATOM 1130 NE ARG B 18 -2.655 3.161 4.031 1.00 0.00 N ATOM 1131 CZ ARG B 18 -2.276 2.460 5.087 1.00 0.00 C ATOM 1132 NH1 ARG B 18 -2.577 2.820 6.303 1.00 0.00 N ATOM 1133 NH2 ARG B 18 -1.581 1.368 4.950 1.00 0.00 N ATOM 0 H ARG B 18 -2.125 4.403 -0.356 1.00 0.00 H new ATOM 0 HA ARG B 18 -4.491 5.747 0.484 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -2.044 4.703 1.654 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -2.400 6.286 2.316 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -4.760 5.544 2.776 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -4.371 3.954 2.152 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -2.896 5.198 4.506 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -4.342 4.228 4.703 1.00 0.00 H new ATOM 0 HE ARG B 18 -2.355 2.824 3.116 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -3.122 3.667 6.464 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -2.268 2.255 7.094 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -1.321 1.042 4.019 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -1.296 0.838 5.774 1.00 0.00 H new ATOM 1147 N GLU B 19 -2.064 7.723 -0.466 1.00 0.00 N ATOM 1148 CA GLU B 19 -1.781 9.083 -0.956 1.00 0.00 C ATOM 1149 C GLU B 19 -2.615 9.458 -2.194 1.00 0.00 C ATOM 1150 O GLU B 19 -3.064 10.598 -2.321 1.00 0.00 O ATOM 1151 CB GLU B 19 -0.283 9.204 -1.294 1.00 0.00 C ATOM 1152 CG GLU B 19 0.443 10.154 -0.337 1.00 0.00 C ATOM 1153 CD GLU B 19 1.962 10.156 -0.605 1.00 0.00 C ATOM 1154 OE1 GLU B 19 2.409 10.798 -1.586 1.00 0.00 O ATOM 1155 OE2 GLU B 19 2.721 9.525 0.169 1.00 0.00 O ATOM 0 H GLU B 19 -1.306 7.065 -0.648 1.00 0.00 H new ATOM 0 HA GLU B 19 -2.056 9.775 -0.160 1.00 0.00 H new ATOM 0 HB2 GLU B 19 0.180 8.218 -1.248 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -0.169 9.562 -2.317 1.00 0.00 H new ATOM 0 HG2 GLU B 19 0.049 11.164 -0.453 1.00 0.00 H new ATOM 0 HG3 GLU B 19 0.252 9.853 0.693 1.00 0.00 H new ATOM 1162 N ALA B 20 -2.859 8.508 -3.102 1.00 0.00 N ATOM 1163 CA ALA B 20 -3.677 8.741 -4.290 1.00 0.00 C ATOM 1164 C ALA B 20 -5.152 9.049 -3.940 1.00 0.00 C ATOM 1165 O ALA B 20 -5.743 9.942 -4.550 1.00 0.00 O ATOM 1166 CB ALA B 20 -3.512 7.546 -5.235 1.00 0.00 C ATOM 0 H ALA B 20 -2.494 7.558 -3.032 1.00 0.00 H new ATOM 0 HA ALA B 20 -3.330 9.638 -4.802 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -4.116 7.703 -6.129 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -2.464 7.448 -5.518 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -3.838 6.636 -4.731 1.00 0.00 H new ATOM 1172 N LEU B 21 -5.733 8.405 -2.914 1.00 0.00 N ATOM 1173 CA LEU B 21 -7.063 8.762 -2.396 1.00 0.00 C ATOM 1174 C LEU B 21 -7.085 10.129 -1.704 1.00 0.00 C ATOM 1175 O LEU B 21 -8.081 10.833 -1.816 1.00 0.00 O ATOM 1176 CB LEU B 21 -7.610 7.637 -1.500 1.00 0.00 C ATOM 1177 CG LEU B 21 -9.004 7.886 -0.882 1.00 0.00 C ATOM 1178 CD1 LEU B 21 -9.757 6.567 -0.699 1.00 0.00 C ATOM 1179 CD2 LEU B 21 -8.921 8.528 0.508 1.00 0.00 C ATOM 0 H LEU B 21 -5.296 7.626 -2.423 1.00 0.00 H new ATOM 0 HA LEU B 21 -7.732 8.864 -3.250 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -7.652 6.719 -2.087 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -6.900 7.465 -0.691 1.00 0.00 H new ATOM 0 HG LEU B 21 -9.517 8.554 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -10.736 6.765 -0.263 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -9.882 6.082 -1.667 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -9.190 5.913 -0.037 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -9.927 8.682 0.898 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -8.368 7.871 1.180 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -8.409 9.488 0.436 1.00 0.00 H new ATOM 1191 N GLU B 22 -6.007 10.565 -1.053 1.00 0.00 N ATOM 1192 CA GLU B 22 -5.916 11.953 -0.579 1.00 0.00 C ATOM 1193 C GLU B 22 -5.974 12.975 -1.736 1.00 0.00 C ATOM 1194 O GLU B 22 -6.495 14.078 -1.562 1.00 0.00 O ATOM 1195 CB GLU B 22 -4.648 12.138 0.264 1.00 0.00 C ATOM 1196 CG GLU B 22 -4.892 11.782 1.735 1.00 0.00 C ATOM 1197 CD GLU B 22 -3.619 12.001 2.577 1.00 0.00 C ATOM 1198 OE1 GLU B 22 -3.292 13.171 2.894 1.00 0.00 O ATOM 1199 OE2 GLU B 22 -2.944 11.009 2.944 1.00 0.00 O ATOM 0 H GLU B 22 -5.192 9.989 -0.842 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.787 12.148 0.046 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -3.850 11.512 -0.135 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -4.309 13.171 0.190 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -5.703 12.393 2.131 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -5.209 10.742 1.813 1.00 0.00 H new ATOM 1206 N TYR B 23 -5.496 12.587 -2.919 1.00 0.00 N ATOM 1207 CA TYR B 23 -5.534 13.387 -4.153 1.00 0.00 C ATOM 1208 C TYR B 23 -6.890 13.413 -4.887 1.00 0.00 C ATOM 1209 O TYR B 23 -7.209 14.416 -5.532 1.00 0.00 O ATOM 1210 CB TYR B 23 -4.414 12.913 -5.100 1.00 0.00 C ATOM 1211 CG TYR B 23 -3.462 14.029 -5.474 1.00 0.00 C ATOM 1212 CD1 TYR B 23 -3.783 14.909 -6.526 1.00 0.00 C ATOM 1213 CD2 TYR B 23 -2.280 14.220 -4.732 1.00 0.00 C ATOM 1214 CE1 TYR B 23 -2.922 15.977 -6.837 1.00 0.00 C ATOM 1215 CE2 TYR B 23 -1.415 15.288 -5.040 1.00 0.00 C ATOM 1216 CZ TYR B 23 -1.737 16.174 -6.094 1.00 0.00 C ATOM 1217 OH TYR B 23 -0.919 17.222 -6.393 1.00 0.00 O ATOM 0 H TYR B 23 -5.056 11.677 -3.053 1.00 0.00 H new ATOM 0 HA TYR B 23 -5.377 14.420 -3.842 1.00 0.00 H new ATOM 0 HB2 TYR B 23 -3.856 12.108 -4.623 1.00 0.00 H new ATOM 0 HB3 TYR B 23 -4.858 12.500 -6.005 1.00 0.00 H new ATOM 0 HD1 TYR B 23 -4.690 14.764 -7.094 1.00 0.00 H new ATOM 0 HD2 TYR B 23 -2.036 13.545 -3.925 1.00 0.00 H new ATOM 0 HE1 TYR B 23 -3.168 16.648 -7.646 1.00 0.00 H new ATOM 0 HE2 TYR B 23 -0.507 15.430 -4.472 1.00 0.00 H new ATOM 0 HH TYR B 23 -0.147 17.217 -5.789 1.00 0.00 H new ATOM 1227 N THR B 24 -7.712 12.349 -4.802 1.00 0.00 N ATOM 1228 CA THR B 24 -8.937 12.171 -5.622 1.00 0.00 C ATOM 1229 C THR B 24 -10.228 11.924 -4.835 1.00 0.00 C ATOM 1230 O THR B 24 -11.328 12.120 -5.366 1.00 0.00 O ATOM 1231 CB THR B 24 -8.781 10.988 -6.594 1.00 0.00 C ATOM 1232 OG1 THR B 24 -8.691 9.802 -5.850 1.00 0.00 O ATOM 1233 CG2 THR B 24 -7.557 11.084 -7.500 1.00 0.00 C ATOM 0 H THR B 24 -7.546 11.577 -4.156 1.00 0.00 H new ATOM 0 HA THR B 24 -9.036 13.128 -6.135 1.00 0.00 H new ATOM 0 HB THR B 24 -9.656 11.004 -7.244 1.00 0.00 H new ATOM 0 HG1 THR B 24 -7.821 9.763 -5.401 1.00 0.00 H new ATOM 0 HG21 THR B 24 -7.519 10.213 -8.154 1.00 0.00 H new ATOM 0 HG22 THR B 24 -7.622 11.989 -8.104 1.00 0.00 H new ATOM 0 HG23 THR B 24 -6.654 11.119 -6.890 1.00 0.00 H new ATOM 1241 N HIS B 25 -10.116 11.516 -3.565 1.00 0.00 N ATOM 1242 CA HIS B 25 -11.190 11.126 -2.641 1.00 0.00 C ATOM 1243 C HIS B 25 -12.236 10.126 -3.213 1.00 0.00 C ATOM 1244 O HIS B 25 -13.413 10.179 -2.850 1.00 0.00 O ATOM 1245 CB HIS B 25 -11.764 12.384 -1.962 1.00 0.00 C ATOM 1246 CG HIS B 25 -10.848 12.877 -0.867 1.00 0.00 C ATOM 1247 ND1 HIS B 25 -10.892 12.479 0.459 1.00 0.00 N ATOM 1248 CD2 HIS B 25 -9.767 13.703 -1.014 1.00 0.00 C ATOM 1249 CE1 HIS B 25 -9.862 13.058 1.106 1.00 0.00 C ATOM 1250 NE2 HIS B 25 -9.169 13.816 0.229 1.00 0.00 N ATOM 0 H HIS B 25 -9.200 11.444 -3.121 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.748 10.508 -1.859 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -11.904 13.170 -2.704 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -12.746 12.160 -1.545 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -9.442 14.177 -1.928 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.629 12.936 2.153 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -8.345 14.377 0.446 1.00 0.00 H new ATOM 1259 N ASN B 26 -11.825 9.213 -4.100 1.00 0.00 N ATOM 1260 CA ASN B 26 -12.712 8.250 -4.787 1.00 0.00 C ATOM 1261 C ASN B 26 -12.796 6.874 -4.077 1.00 0.00 C ATOM 1262 O ASN B 26 -11.778 6.378 -3.587 1.00 0.00 O ATOM 1263 CB ASN B 26 -12.273 8.141 -6.266 1.00 0.00 C ATOM 1264 CG ASN B 26 -13.291 8.761 -7.219 1.00 0.00 C ATOM 1265 OD1 ASN B 26 -13.813 9.844 -7.000 1.00 0.00 O ATOM 1266 ND2 ASN B 26 -13.632 8.091 -8.296 1.00 0.00 N ATOM 0 H ASN B 26 -10.846 9.116 -4.370 1.00 0.00 H new ATOM 0 HA ASN B 26 -13.734 8.628 -4.745 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -11.310 8.636 -6.394 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -12.129 7.092 -6.524 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -14.325 8.476 -8.938 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -13.204 7.186 -8.490 1.00 0.00 H new ATOM 1273 N PRO B 27 -13.976 6.210 -4.067 1.00 0.00 N ATOM 1274 CA PRO B 27 -14.195 4.935 -3.363 1.00 0.00 C ATOM 1275 C PRO B 27 -13.475 3.747 -4.022 1.00 0.00 C ATOM 1276 O PRO B 27 -13.268 2.702 -3.408 1.00 0.00 O ATOM 1277 CB PRO B 27 -15.714 4.722 -3.383 1.00 0.00 C ATOM 1278 CG PRO B 27 -16.151 5.421 -4.668 1.00 0.00 C ATOM 1279 CD PRO B 27 -15.209 6.622 -4.733 1.00 0.00 C ATOM 0 HA PRO B 27 -13.786 4.985 -2.354 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -15.971 3.663 -3.394 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -16.193 5.157 -2.506 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -16.043 4.774 -5.538 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -17.196 5.728 -4.627 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -15.016 6.909 -5.766 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.648 7.488 -4.238 1.00 0.00 H new ATOM 1287 N VAL B 28 -13.081 3.906 -5.285 1.00 0.00 N ATOM 1288 CA VAL B 28 -12.392 2.871 -6.069 1.00 0.00 C ATOM 1289 C VAL B 28 -11.007 2.544 -5.514 1.00 0.00 C ATOM 1290 O VAL B 28 -10.667 1.369 -5.390 1.00 0.00 O ATOM 1291 CB VAL B 28 -12.341 3.286 -7.545 1.00 0.00 C ATOM 1292 CG1 VAL B 28 -11.879 2.119 -8.399 1.00 0.00 C ATOM 1293 CG2 VAL B 28 -13.699 3.745 -8.101 1.00 0.00 C ATOM 0 H VAL B 28 -13.232 4.771 -5.805 1.00 0.00 H new ATOM 0 HA VAL B 28 -12.965 1.947 -5.990 1.00 0.00 H new ATOM 0 HB VAL B 28 -11.647 4.126 -7.588 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -11.846 2.424 -9.445 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.884 1.807 -8.081 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -12.574 1.287 -8.285 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -13.588 4.023 -9.149 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -14.420 2.932 -8.016 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -14.053 4.605 -7.533 1.00 0.00 H new ATOM 1303 N LEU B 29 -10.236 3.546 -5.077 1.00 0.00 N ATOM 1304 CA LEU B 29 -8.960 3.312 -4.400 1.00 0.00 C ATOM 1305 C LEU B 29 -9.135 2.533 -3.096 1.00 0.00 C ATOM 1306 O LEU B 29 -8.287 1.700 -2.782 1.00 0.00 O ATOM 1307 CB LEU B 29 -8.274 4.645 -4.109 1.00 0.00 C ATOM 1308 CG LEU B 29 -7.849 5.404 -5.373 1.00 0.00 C ATOM 1309 CD1 LEU B 29 -8.622 6.711 -5.476 1.00 0.00 C ATOM 1310 CD2 LEU B 29 -6.362 5.715 -5.355 1.00 0.00 C ATOM 0 H LEU B 29 -10.477 4.531 -5.182 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.343 2.711 -5.067 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -8.949 5.273 -3.528 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -7.395 4.465 -3.490 1.00 0.00 H new ATOM 0 HG LEU B 29 -8.066 4.768 -6.231 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -8.316 7.245 -6.375 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -9.690 6.499 -5.526 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -8.415 7.326 -4.600 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -6.092 6.253 -6.264 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -6.130 6.331 -4.486 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.796 4.785 -5.302 1.00 0.00 H new ATOM 1322 N ALA B 30 -10.236 2.760 -2.370 1.00 0.00 N ATOM 1323 CA ALA B 30 -10.553 2.002 -1.165 1.00 0.00 C ATOM 1324 C ALA B 30 -10.709 0.503 -1.475 1.00 0.00 C ATOM 1325 O ALA B 30 -10.038 -0.295 -0.831 1.00 0.00 O ATOM 1326 CB ALA B 30 -11.777 2.597 -0.458 1.00 0.00 C ATOM 0 H ALA B 30 -10.927 3.473 -2.604 1.00 0.00 H new ATOM 0 HA ALA B 30 -9.717 2.084 -0.470 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -11.997 2.017 0.438 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -11.570 3.630 -0.180 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -12.635 2.567 -1.129 1.00 0.00 H new ATOM 1332 N LYS B 31 -11.479 0.100 -2.502 1.00 0.00 N ATOM 1333 CA LYS B 31 -11.528 -1.304 -2.971 1.00 0.00 C ATOM 1334 C LYS B 31 -10.168 -1.843 -3.410 1.00 0.00 C ATOM 1335 O LYS B 31 -9.823 -2.970 -3.057 1.00 0.00 O ATOM 1336 CB LYS B 31 -12.546 -1.488 -4.118 1.00 0.00 C ATOM 1337 CG LYS B 31 -13.859 -2.138 -3.651 1.00 0.00 C ATOM 1338 CD LYS B 31 -14.628 -2.725 -4.847 1.00 0.00 C ATOM 1339 CE LYS B 31 -15.897 -3.481 -4.429 1.00 0.00 C ATOM 1340 NZ LYS B 31 -17.005 -2.567 -4.046 1.00 0.00 N ATOM 0 H LYS B 31 -12.082 0.731 -3.030 1.00 0.00 H new ATOM 0 HA LYS B 31 -11.849 -1.882 -2.105 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -12.765 -0.517 -4.563 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -12.099 -2.103 -4.899 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -13.644 -2.925 -2.928 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -14.477 -1.398 -3.142 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -14.899 -1.919 -5.529 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -13.973 -3.401 -5.397 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -16.224 -4.118 -5.251 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -15.665 -4.137 -3.590 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -17.838 -3.127 -3.772 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -16.706 -1.976 -3.244 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -17.247 -1.958 -4.853 1.00 0.00 H new ATOM 1354 N ILE B 32 -9.388 -1.041 -4.138 1.00 0.00 N ATOM 1355 CA ILE B 32 -8.052 -1.444 -4.613 1.00 0.00 C ATOM 1356 C ILE B 32 -7.162 -1.793 -3.420 1.00 0.00 C ATOM 1357 O ILE B 32 -6.775 -2.952 -3.270 1.00 0.00 O ATOM 1358 CB ILE B 32 -7.407 -0.393 -5.536 1.00 0.00 C ATOM 1359 CG1 ILE B 32 -8.167 -0.202 -6.866 1.00 0.00 C ATOM 1360 CG2 ILE B 32 -5.993 -0.876 -5.890 1.00 0.00 C ATOM 1361 CD1 ILE B 32 -7.831 1.143 -7.525 1.00 0.00 C ATOM 0 H ILE B 32 -9.658 -0.098 -4.417 1.00 0.00 H new ATOM 0 HA ILE B 32 -8.168 -2.335 -5.230 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.418 0.556 -5.000 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -7.916 -1.014 -7.548 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.240 -0.260 -6.683 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.513 -0.148 -6.544 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.407 -0.986 -4.978 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -6.054 -1.838 -6.400 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -8.386 1.240 -8.458 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.106 1.956 -6.853 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -6.762 1.190 -7.732 1.00 0.00 H new ATOM 1373 N LEU B 33 -6.884 -0.822 -2.544 1.00 0.00 N ATOM 1374 CA LEU B 33 -6.019 -1.040 -1.383 1.00 0.00 C ATOM 1375 C LEU B 33 -6.623 -1.993 -0.349 1.00 0.00 C ATOM 1376 O LEU B 33 -5.876 -2.651 0.372 1.00 0.00 O ATOM 1377 CB LEU B 33 -5.533 0.301 -0.807 1.00 0.00 C ATOM 1378 CG LEU B 33 -6.557 1.141 -0.021 1.00 0.00 C ATOM 1379 CD1 LEU B 33 -6.598 0.792 1.469 1.00 0.00 C ATOM 1380 CD2 LEU B 33 -6.216 2.629 -0.131 1.00 0.00 C ATOM 0 H LEU B 33 -7.249 0.128 -2.619 1.00 0.00 H new ATOM 0 HA LEU B 33 -5.129 -1.569 -1.725 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -4.686 0.100 -0.151 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -5.160 0.908 -1.632 1.00 0.00 H new ATOM 0 HG LEU B 33 -7.528 0.917 -0.462 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -7.338 1.417 1.969 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -6.868 -0.257 1.590 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.617 0.967 1.911 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.947 3.212 0.429 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -5.221 2.805 0.278 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -6.236 2.931 -1.178 1.00 0.00 H new ATOM 1392 N GLU B 34 -7.953 -2.125 -0.307 1.00 0.00 N ATOM 1393 CA GLU B 34 -8.613 -3.145 0.516 1.00 0.00 C ATOM 1394 C GLU B 34 -8.264 -4.564 0.043 1.00 0.00 C ATOM 1395 O GLU B 34 -8.044 -5.451 0.870 1.00 0.00 O ATOM 1396 CB GLU B 34 -10.136 -2.928 0.578 1.00 0.00 C ATOM 1397 CG GLU B 34 -10.877 -3.962 1.433 1.00 0.00 C ATOM 1398 CD GLU B 34 -12.356 -3.565 1.613 1.00 0.00 C ATOM 1399 OE1 GLU B 34 -13.188 -3.883 0.730 1.00 0.00 O ATOM 1400 OE2 GLU B 34 -12.702 -2.947 2.650 1.00 0.00 O ATOM 0 H GLU B 34 -8.596 -1.536 -0.836 1.00 0.00 H new ATOM 0 HA GLU B 34 -8.231 -3.037 1.531 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -10.335 -1.933 0.975 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -10.538 -2.953 -0.435 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -10.814 -4.943 0.962 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -10.397 -4.046 2.408 1.00 0.00 H new ATOM 1407 N ASP B 35 -8.161 -4.792 -1.271 1.00 0.00 N ATOM 1408 CA ASP B 35 -7.761 -6.097 -1.789 1.00 0.00 C ATOM 1409 C ASP B 35 -6.266 -6.396 -1.635 1.00 0.00 C ATOM 1410 O ASP B 35 -5.921 -7.479 -1.163 1.00 0.00 O ATOM 1411 CB ASP B 35 -8.145 -6.234 -3.258 1.00 0.00 C ATOM 1412 CG ASP B 35 -9.637 -6.111 -3.600 1.00 0.00 C ATOM 1413 OD1 ASP B 35 -10.497 -6.498 -2.767 1.00 0.00 O ATOM 1414 OD2 ASP B 35 -9.922 -5.689 -4.748 1.00 0.00 O ATOM 0 H ASP B 35 -8.349 -4.092 -1.988 1.00 0.00 H new ATOM 0 HA ASP B 35 -8.299 -6.825 -1.181 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -7.604 -5.475 -3.822 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -7.795 -7.204 -3.611 1.00 0.00 H new ATOM 1419 N GLU B 36 -5.364 -5.459 -1.958 1.00 0.00 N ATOM 1420 CA GLU B 36 -3.922 -5.669 -1.776 1.00 0.00 C ATOM 1421 C GLU B 36 -3.546 -6.018 -0.324 1.00 0.00 C ATOM 1422 O GLU B 36 -2.544 -6.692 -0.087 1.00 0.00 O ATOM 1423 CB GLU B 36 -3.138 -4.411 -2.161 1.00 0.00 C ATOM 1424 CG GLU B 36 -3.448 -3.714 -3.483 1.00 0.00 C ATOM 1425 CD GLU B 36 -3.301 -4.525 -4.764 1.00 0.00 C ATOM 1426 OE1 GLU B 36 -2.950 -5.739 -4.777 1.00 0.00 O ATOM 1427 OE2 GLU B 36 -3.561 -4.002 -5.859 1.00 0.00 O ATOM 0 H GLU B 36 -5.608 -4.548 -2.347 1.00 0.00 H new ATOM 0 HA GLU B 36 -3.665 -6.509 -2.422 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -3.279 -3.680 -1.364 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -2.080 -4.674 -2.169 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -4.473 -3.346 -3.435 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -2.799 -2.842 -3.562 1.00 0.00 H new ATOM 1434 N GLU B 37 -4.364 -5.595 0.647 1.00 0.00 N ATOM 1435 CA GLU B 37 -4.137 -5.860 2.076 1.00 0.00 C ATOM 1436 C GLU B 37 -4.285 -7.358 2.395 1.00 0.00 C ATOM 1437 O GLU B 37 -3.594 -7.887 3.268 1.00 0.00 O ATOM 1438 CB GLU B 37 -5.103 -4.992 2.901 1.00 0.00 C ATOM 1439 CG GLU B 37 -4.714 -4.798 4.376 1.00 0.00 C ATOM 1440 CD GLU B 37 -5.045 -5.985 5.307 1.00 0.00 C ATOM 1441 OE1 GLU B 37 -6.140 -6.587 5.184 1.00 0.00 O ATOM 1442 OE2 GLU B 37 -4.240 -6.270 6.227 1.00 0.00 O ATOM 0 H GLU B 37 -5.209 -5.055 0.463 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.114 -5.593 2.341 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -5.178 -4.012 2.430 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -6.095 -5.442 2.860 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -3.643 -4.603 4.430 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -5.219 -3.909 4.754 1.00 0.00 H new ATOM 1449 N LYS B 38 -5.136 -8.050 1.626 1.00 0.00 N ATOM 1450 CA LYS B 38 -5.341 -9.502 1.671 1.00 0.00 C ATOM 1451 C LYS B 38 -4.337 -10.232 0.799 1.00 0.00 C ATOM 1452 O LYS B 38 -3.763 -11.212 1.254 1.00 0.00 O ATOM 1453 CB LYS B 38 -6.767 -9.844 1.207 1.00 0.00 C ATOM 1454 CG LYS B 38 -7.817 -9.171 2.097 1.00 0.00 C ATOM 1455 CD LYS B 38 -9.263 -9.463 1.684 1.00 0.00 C ATOM 1456 CE LYS B 38 -9.596 -8.781 0.352 1.00 0.00 C ATOM 1457 NZ LYS B 38 -10.999 -8.295 0.299 1.00 0.00 N ATOM 0 H LYS B 38 -5.724 -7.594 0.928 1.00 0.00 H new ATOM 0 HA LYS B 38 -5.198 -9.827 2.702 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -6.903 -9.523 0.174 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -6.909 -10.925 1.226 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -7.670 -9.499 3.126 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -7.656 -8.093 2.080 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -9.410 -10.539 1.594 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -9.945 -9.112 2.458 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -8.918 -7.942 0.197 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -9.426 -9.483 -0.465 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -11.175 -7.842 -0.620 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -11.649 -9.098 0.420 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -11.156 -7.605 1.061 1.00 0.00 H new ATOM 1471 N HIS B 39 -4.091 -9.749 -0.421 1.00 0.00 N ATOM 1472 CA HIS B 39 -3.315 -10.401 -1.468 1.00 0.00 C ATOM 1473 C HIS B 39 -1.973 -10.982 -1.015 1.00 0.00 C ATOM 1474 O HIS B 39 -1.697 -12.145 -1.295 1.00 0.00 O ATOM 1475 CB HIS B 39 -3.088 -9.351 -2.540 1.00 0.00 C ATOM 1476 CG HIS B 39 -4.222 -9.070 -3.478 1.00 0.00 C ATOM 1477 ND1 HIS B 39 -4.066 -8.315 -4.639 1.00 0.00 N ATOM 1478 CD2 HIS B 39 -5.525 -9.446 -3.355 1.00 0.00 C ATOM 1479 CE1 HIS B 39 -5.297 -8.260 -5.190 1.00 0.00 C ATOM 1480 NE2 HIS B 39 -6.181 -8.959 -4.460 1.00 0.00 N ATOM 0 H HIS B 39 -4.450 -8.841 -0.717 1.00 0.00 H new ATOM 0 HA HIS B 39 -3.877 -11.266 -1.819 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -2.820 -8.417 -2.046 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -2.227 -9.656 -3.134 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -5.958 -10.016 -2.546 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -5.539 -7.725 -6.097 1.00 0.00 H new ATOM 0 HE2 HIS B 39 -7.165 -9.103 -4.686 1.00 0.00 H new ATOM 1488 N ILE B 40 -1.152 -10.206 -0.303 1.00 0.00 N ATOM 1489 CA ILE B 40 0.182 -10.648 0.141 1.00 0.00 C ATOM 1490 C ILE B 40 0.096 -11.890 1.031 1.00 0.00 C ATOM 1491 O ILE B 40 0.862 -12.835 0.851 1.00 0.00 O ATOM 1492 CB ILE B 40 0.894 -9.508 0.904 1.00 0.00 C ATOM 1493 CG1 ILE B 40 1.012 -8.226 0.057 1.00 0.00 C ATOM 1494 CG2 ILE B 40 2.312 -9.908 1.350 1.00 0.00 C ATOM 1495 CD1 ILE B 40 0.803 -6.958 0.891 1.00 0.00 C ATOM 0 H ILE B 40 -1.388 -9.256 -0.016 1.00 0.00 H new ATOM 0 HA ILE B 40 0.757 -10.907 -0.748 1.00 0.00 H new ATOM 0 HB ILE B 40 0.271 -9.316 1.778 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.995 -8.192 -0.412 1.00 0.00 H new ATOM 0 HG13 ILE B 40 0.276 -8.255 -0.747 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.774 -9.076 1.882 1.00 0.00 H new ATOM 0 HG22 ILE B 40 2.255 -10.774 2.009 1.00 0.00 H new ATOM 0 HG23 ILE B 40 2.912 -10.157 0.475 1.00 0.00 H new ATOM 0 HD11 ILE B 40 0.896 -6.081 0.250 1.00 0.00 H new ATOM 0 HD12 ILE B 40 -0.191 -6.977 1.339 1.00 0.00 H new ATOM 0 HD13 ILE B 40 1.555 -6.913 1.679 1.00 0.00 H new ATOM 1507 N GLU B 41 -0.857 -11.914 1.963 1.00 0.00 N ATOM 1508 CA GLU B 41 -1.101 -13.081 2.811 1.00 0.00 C ATOM 1509 C GLU B 41 -1.879 -14.174 2.070 1.00 0.00 C ATOM 1510 O GLU B 41 -1.542 -15.344 2.210 1.00 0.00 O ATOM 1511 CB GLU B 41 -1.783 -12.664 4.121 1.00 0.00 C ATOM 1512 CG GLU B 41 -0.791 -11.913 5.025 1.00 0.00 C ATOM 1513 CD GLU B 41 -1.410 -11.554 6.391 1.00 0.00 C ATOM 1514 OE1 GLU B 41 -1.687 -12.474 7.199 1.00 0.00 O ATOM 1515 OE2 GLU B 41 -1.595 -10.348 6.684 1.00 0.00 O ATOM 0 H GLU B 41 -1.479 -11.128 2.151 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.136 -13.519 3.068 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -2.642 -12.028 3.905 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -2.161 -13.546 4.639 1.00 0.00 H new ATOM 0 HG2 GLU B 41 0.096 -12.528 5.179 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -0.464 -11.002 4.525 1.00 0.00 H new ATOM 1522 N TRP B 42 -2.826 -13.819 1.199 1.00 0.00 N ATOM 1523 CA TRP B 42 -3.506 -14.745 0.283 1.00 0.00 C ATOM 1524 C TRP B 42 -2.525 -15.603 -0.532 1.00 0.00 C ATOM 1525 O TRP B 42 -2.693 -16.823 -0.572 1.00 0.00 O ATOM 1526 CB TRP B 42 -4.465 -13.948 -0.621 1.00 0.00 C ATOM 1527 CG TRP B 42 -5.845 -13.684 -0.105 1.00 0.00 C ATOM 1528 CD1 TRP B 42 -6.316 -13.989 1.126 1.00 0.00 C ATOM 1529 CD2 TRP B 42 -6.961 -13.064 -0.817 1.00 0.00 C ATOM 1530 NE1 TRP B 42 -7.654 -13.655 1.203 1.00 0.00 N ATOM 1531 CE2 TRP B 42 -8.107 -13.081 0.033 1.00 0.00 C ATOM 1532 CE3 TRP B 42 -7.117 -12.481 -2.094 1.00 0.00 C ATOM 1533 CZ2 TRP B 42 -9.349 -12.570 -0.374 1.00 0.00 C ATOM 1534 CZ3 TRP B 42 -8.351 -11.940 -2.502 1.00 0.00 C ATOM 1535 CH2 TRP B 42 -9.468 -11.994 -1.650 1.00 0.00 C ATOM 0 H TRP B 42 -3.151 -12.857 1.107 1.00 0.00 H new ATOM 0 HA TRP B 42 -4.082 -15.455 0.877 1.00 0.00 H new ATOM 0 HB2 TRP B 42 -3.999 -12.987 -0.841 1.00 0.00 H new ATOM 0 HB3 TRP B 42 -4.556 -14.482 -1.567 1.00 0.00 H new ATOM 0 HD1 TRP B 42 -5.736 -14.426 1.925 1.00 0.00 H new ATOM 0 HE1 TRP B 42 -8.237 -13.813 2.025 1.00 0.00 H new ATOM 0 HE3 TRP B 42 -6.275 -12.450 -2.769 1.00 0.00 H new ATOM 0 HZ2 TRP B 42 -10.203 -12.619 0.285 1.00 0.00 H new ATOM 0 HZ3 TRP B 42 -8.440 -11.481 -3.475 1.00 0.00 H new ATOM 0 HH2 TRP B 42 -10.416 -11.593 -1.976 1.00 0.00 H new ATOM 1546 N LEU B 43 -1.464 -15.021 -1.114 1.00 0.00 N ATOM 1547 CA LEU B 43 -0.461 -15.798 -1.861 1.00 0.00 C ATOM 1548 C LEU B 43 0.635 -16.442 -0.983 1.00 0.00 C ATOM 1549 O LEU B 43 1.446 -17.215 -1.492 1.00 0.00 O ATOM 1550 CB LEU B 43 0.055 -15.007 -3.072 1.00 0.00 C ATOM 1551 CG LEU B 43 1.009 -13.856 -2.732 1.00 0.00 C ATOM 1552 CD1 LEU B 43 2.442 -14.191 -3.130 1.00 0.00 C ATOM 1553 CD2 LEU B 43 0.647 -12.594 -3.507 1.00 0.00 C ATOM 0 H LEU B 43 -1.279 -14.018 -1.082 1.00 0.00 H new ATOM 0 HA LEU B 43 -0.971 -16.674 -2.263 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.565 -15.695 -3.747 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.800 -14.603 -3.615 1.00 0.00 H new ATOM 0 HG LEU B 43 0.922 -13.701 -1.657 1.00 0.00 H new ATOM 0 HD11 LEU B 43 3.095 -13.356 -2.876 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.769 -15.083 -2.595 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.488 -14.374 -4.203 1.00 0.00 H new ATOM 0 HD21 LEU B 43 1.341 -11.795 -3.245 1.00 0.00 H new ATOM 0 HD22 LEU B 43 0.710 -12.793 -4.577 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -0.369 -12.290 -3.254 1.00 0.00 H new ATOM 1565 N GLU B 44 0.628 -16.197 0.332 1.00 0.00 N ATOM 1566 CA GLU B 44 1.502 -16.871 1.307 1.00 0.00 C ATOM 1567 C GLU B 44 0.798 -18.048 2.015 1.00 0.00 C ATOM 1568 O GLU B 44 1.430 -19.070 2.275 1.00 0.00 O ATOM 1569 CB GLU B 44 2.020 -15.855 2.342 1.00 0.00 C ATOM 1570 CG GLU B 44 3.401 -16.251 2.879 1.00 0.00 C ATOM 1571 CD GLU B 44 3.800 -15.411 4.109 1.00 0.00 C ATOM 1572 OE1 GLU B 44 4.033 -14.186 3.973 1.00 0.00 O ATOM 1573 OE2 GLU B 44 3.899 -15.979 5.224 1.00 0.00 O ATOM 0 H GLU B 44 0.004 -15.512 0.759 1.00 0.00 H new ATOM 0 HA GLU B 44 2.343 -17.289 0.754 1.00 0.00 H new ATOM 0 HB2 GLU B 44 2.076 -14.867 1.886 1.00 0.00 H new ATOM 0 HB3 GLU B 44 1.314 -15.785 3.169 1.00 0.00 H new ATOM 0 HG2 GLU B 44 3.398 -17.308 3.146 1.00 0.00 H new ATOM 0 HG3 GLU B 44 4.146 -16.123 2.094 1.00 0.00 H new ATOM 1580 N THR B 45 -0.516 -17.963 2.269 1.00 0.00 N ATOM 1581 CA THR B 45 -1.337 -19.029 2.884 1.00 0.00 C ATOM 1582 C THR B 45 -1.286 -20.345 2.097 1.00 0.00 C ATOM 1583 O THR B 45 -1.319 -21.422 2.696 1.00 0.00 O ATOM 1584 CB THR B 45 -2.792 -18.547 3.056 1.00 0.00 C ATOM 1585 OG1 THR B 45 -2.818 -17.485 3.987 1.00 0.00 O ATOM 1586 CG2 THR B 45 -3.754 -19.603 3.606 1.00 0.00 C ATOM 0 H THR B 45 -1.058 -17.128 2.047 1.00 0.00 H new ATOM 0 HA THR B 45 -0.911 -19.239 3.865 1.00 0.00 H new ATOM 0 HB THR B 45 -3.120 -18.270 2.054 1.00 0.00 H new ATOM 0 HG1 THR B 45 -2.431 -16.682 3.579 1.00 0.00 H new ATOM 0 HG21 THR B 45 -4.753 -19.175 3.693 1.00 0.00 H new ATOM 0 HG22 THR B 45 -3.783 -20.457 2.929 1.00 0.00 H new ATOM 0 HG23 THR B 45 -3.412 -19.930 4.588 1.00 0.00 H new ATOM 1594 N ILE B 46 -1.109 -20.275 0.770 1.00 0.00 N ATOM 1595 CA ILE B 46 -0.869 -21.430 -0.119 1.00 0.00 C ATOM 1596 C ILE B 46 0.281 -22.316 0.400 1.00 0.00 C ATOM 1597 O ILE B 46 0.200 -23.545 0.351 1.00 0.00 O ATOM 1598 CB ILE B 46 -0.571 -20.939 -1.562 1.00 0.00 C ATOM 1599 CG1 ILE B 46 -1.715 -20.051 -2.110 1.00 0.00 C ATOM 1600 CG2 ILE B 46 -0.322 -22.129 -2.508 1.00 0.00 C ATOM 1601 CD1 ILE B 46 -1.476 -19.473 -3.511 1.00 0.00 C ATOM 0 H ILE B 46 -1.129 -19.388 0.267 1.00 0.00 H new ATOM 0 HA ILE B 46 -1.772 -22.040 -0.130 1.00 0.00 H new ATOM 0 HB ILE B 46 0.334 -20.333 -1.516 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -2.633 -20.638 -2.128 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -1.878 -19.226 -1.416 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -0.116 -21.759 -3.512 1.00 0.00 H new ATOM 0 HG22 ILE B 46 0.532 -22.705 -2.151 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -1.206 -22.767 -2.531 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -2.333 -18.867 -3.805 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -0.579 -18.854 -3.501 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -1.346 -20.288 -4.223 1.00 0.00 H new ATOM 1613 N LEU B 47 1.341 -21.694 0.929 1.00 0.00 N ATOM 1614 CA LEU B 47 2.576 -22.355 1.368 1.00 0.00 C ATOM 1615 C LEU B 47 2.430 -23.094 2.715 1.00 0.00 C ATOM 1616 O LEU B 47 3.270 -23.934 3.049 1.00 0.00 O ATOM 1617 CB LEU B 47 3.710 -21.310 1.446 1.00 0.00 C ATOM 1618 CG LEU B 47 3.844 -20.374 0.226 1.00 0.00 C ATOM 1619 CD1 LEU B 47 5.026 -19.424 0.420 1.00 0.00 C ATOM 1620 CD2 LEU B 47 4.042 -21.134 -1.085 1.00 0.00 C ATOM 0 H LEU B 47 1.364 -20.684 1.068 1.00 0.00 H new ATOM 0 HA LEU B 47 2.814 -23.121 0.630 1.00 0.00 H new ATOM 0 HB2 LEU B 47 3.555 -20.698 2.335 1.00 0.00 H new ATOM 0 HB3 LEU B 47 4.655 -21.836 1.582 1.00 0.00 H new ATOM 0 HG LEU B 47 2.908 -19.820 0.158 1.00 0.00 H new ATOM 0 HD11 LEU B 47 5.112 -18.768 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU B 47 4.867 -18.823 1.316 1.00 0.00 H new ATOM 0 HD13 LEU B 47 5.943 -20.002 0.529 1.00 0.00 H new ATOM 0 HD21 LEU B 47 4.130 -20.424 -1.907 1.00 0.00 H new ATOM 0 HD22 LEU B 47 4.950 -21.733 -1.024 1.00 0.00 H new ATOM 0 HD23 LEU B 47 3.187 -21.787 -1.260 1.00 0.00 H new ATOM 1632 N GLY B 48 1.366 -22.810 3.474 1.00 0.00 N ATOM 1633 CA GLY B 48 1.047 -23.433 4.766 1.00 0.00 C ATOM 1634 C GLY B 48 -0.105 -24.449 4.711 1.00 0.00 C ATOM 1635 O GLY B 48 -0.425 -25.083 5.717 1.00 0.00 O ATOM 0 H GLY B 48 0.676 -22.113 3.195 1.00 0.00 H new ATOM 0 HA2 GLY B 48 1.939 -23.932 5.145 1.00 0.00 H new ATOM 0 HA3 GLY B 48 0.792 -22.650 5.480 1.00 0.00 H new HETATM 1639 N NH2 B 49 -0.742 -24.642 3.561 1.00 0.00 N TER 1642 NH2 B 49 HETATM 1643 ZN ZN A 50 -3.619 -4.471 -7.535 1.00 0.00 ZN HETATM 1644 ZN ZN B 50 -2.396 -7.332 -5.249 1.00 0.00 ZN