USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=11 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= 0.0886 X(o=0.089,f=-0.092) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.0207 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -80:sc= 0.701 USER MOD Single : A 25 HIS : no HD1:sc= 1.03 K(o=1,f=-3.2!) USER MOD Single : A 26 ASN : amide:sc= -0.376 K(o=-0.38,f=-2.6!) 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 74:sc= 0.109 USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= 1.02 K(o=1,f=-2.2!) USER MOD Single : B 17 TYR OH : rot -154:sc= 0.729 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot -140:sc= -0.104 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD Single : B 26 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : B 31 LYS NZ :NH3+ -161:sc= 1.21 (180deg=0.932) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 45 THR OG1 : rot 76:sc= 1.12 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 3.228 13.012 -12.057 1.00 0.00 C HETATM 2 O ACE A 0 3.447 13.128 -13.261 1.00 0.00 O HETATM 3 CH3 ACE A 0 2.554 14.129 -11.293 1.00 0.00 C HETATM 0 H1 ACE A 0 1.625 13.763 -10.857 1.00 0.00 H new HETATM 0 H2 ACE A 0 3.215 14.477 -10.499 1.00 0.00 H new HETATM 0 H3 ACE A 0 2.336 14.954 -11.971 1.00 0.00 H new ATOM 7 N ASP A 1 3.554 11.933 -11.347 1.00 0.00 N ATOM 8 CA ASP A 1 4.296 10.769 -11.880 1.00 0.00 C ATOM 9 C ASP A 1 3.861 9.413 -11.287 1.00 0.00 C ATOM 10 O ASP A 1 4.001 8.369 -11.925 1.00 0.00 O ATOM 11 CB ASP A 1 5.788 10.996 -11.597 1.00 0.00 C ATOM 12 CG ASP A 1 6.692 10.026 -12.377 1.00 0.00 C ATOM 13 OD1 ASP A 1 6.732 10.106 -13.628 1.00 0.00 O ATOM 14 OD2 ASP A 1 7.399 9.209 -11.738 1.00 0.00 O ATOM 0 H ASP A 1 3.309 11.832 -10.362 1.00 0.00 H new ATOM 0 HA ASP A 1 4.080 10.705 -12.946 1.00 0.00 H new ATOM 0 HB2 ASP A 1 6.052 12.021 -11.857 1.00 0.00 H new ATOM 0 HB3 ASP A 1 5.973 10.880 -10.529 1.00 0.00 H new ATOM 19 N TYR A 2 3.295 9.437 -10.076 1.00 0.00 N ATOM 20 CA TYR A 2 2.880 8.261 -9.292 1.00 0.00 C ATOM 21 C TYR A 2 1.970 7.272 -10.037 1.00 0.00 C ATOM 22 O TYR A 2 2.051 6.065 -9.824 1.00 0.00 O ATOM 23 CB TYR A 2 2.196 8.729 -7.997 1.00 0.00 C ATOM 24 CG TYR A 2 0.789 9.295 -8.134 1.00 0.00 C ATOM 25 CD1 TYR A 2 0.591 10.647 -8.482 1.00 0.00 C ATOM 26 CD2 TYR A 2 -0.327 8.468 -7.886 1.00 0.00 C ATOM 27 CE1 TYR A 2 -0.714 11.168 -8.594 1.00 0.00 C ATOM 28 CE2 TYR A 2 -1.632 8.989 -7.987 1.00 0.00 C ATOM 29 CZ TYR A 2 -1.831 10.339 -8.345 1.00 0.00 C ATOM 30 OH TYR A 2 -3.095 10.832 -8.454 1.00 0.00 O ATOM 0 H TYR A 2 3.104 10.314 -9.591 1.00 0.00 H new ATOM 0 HA TYR A 2 3.794 7.706 -9.081 1.00 0.00 H new ATOM 0 HB2 TYR A 2 2.158 7.885 -7.308 1.00 0.00 H new ATOM 0 HB3 TYR A 2 2.825 9.490 -7.535 1.00 0.00 H new ATOM 0 HD1 TYR A 2 1.443 11.286 -8.663 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -0.180 7.432 -7.618 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -0.860 12.202 -8.870 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -2.482 8.353 -7.790 1.00 0.00 H new ATOM 0 HH TYR A 2 -3.741 10.124 -8.249 1.00 0.00 H new ATOM 40 N LEU A 3 1.120 7.780 -10.929 1.00 0.00 N ATOM 41 CA LEU A 3 0.190 6.993 -11.750 1.00 0.00 C ATOM 42 C LEU A 3 0.932 6.055 -12.707 1.00 0.00 C ATOM 43 O LEU A 3 0.613 4.868 -12.778 1.00 0.00 O ATOM 44 CB LEU A 3 -0.719 7.946 -12.547 1.00 0.00 C ATOM 45 CG LEU A 3 -1.654 8.789 -11.665 1.00 0.00 C ATOM 46 CD1 LEU A 3 -2.278 9.911 -12.491 1.00 0.00 C ATOM 47 CD2 LEU A 3 -2.769 7.943 -11.040 1.00 0.00 C ATOM 0 H LEU A 3 1.055 8.782 -11.108 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.411 6.374 -11.084 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.097 8.613 -13.143 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.320 7.362 -13.244 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.052 9.206 -10.858 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.939 10.504 -11.859 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.490 10.549 -12.891 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.851 9.482 -13.313 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.406 8.578 -10.425 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.366 7.487 -11.830 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.329 7.162 -10.420 1.00 0.00 H new ATOM 59 N ARG A 4 1.960 6.563 -13.401 1.00 0.00 N ATOM 60 CA ARG A 4 2.819 5.737 -14.263 1.00 0.00 C ATOM 61 C ARG A 4 3.558 4.683 -13.441 1.00 0.00 C ATOM 62 O ARG A 4 3.605 3.526 -13.849 1.00 0.00 O ATOM 63 CB ARG A 4 3.793 6.613 -15.071 1.00 0.00 C ATOM 64 CG ARG A 4 4.416 5.817 -16.235 1.00 0.00 C ATOM 65 CD ARG A 4 5.449 6.633 -17.021 1.00 0.00 C ATOM 66 NE ARG A 4 6.709 6.800 -16.265 1.00 0.00 N ATOM 67 CZ ARG A 4 7.756 7.519 -16.629 1.00 0.00 C ATOM 68 NH1 ARG A 4 7.772 8.215 -17.733 1.00 0.00 N ATOM 69 NH2 ARG A 4 8.827 7.545 -15.888 1.00 0.00 N ATOM 0 H ARG A 4 2.219 7.549 -13.382 1.00 0.00 H new ATOM 0 HA ARG A 4 2.184 5.212 -14.977 1.00 0.00 H new ATOM 0 HB2 ARG A 4 3.266 7.483 -15.462 1.00 0.00 H new ATOM 0 HB3 ARG A 4 4.582 6.985 -14.417 1.00 0.00 H new ATOM 0 HG2 ARG A 4 4.891 4.918 -15.842 1.00 0.00 H new ATOM 0 HG3 ARG A 4 3.626 5.490 -16.911 1.00 0.00 H new ATOM 0 HD2 ARG A 4 5.657 6.138 -17.970 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.034 7.613 -17.257 1.00 0.00 H new ATOM 0 HE ARG A 4 6.777 6.311 -15.373 1.00 0.00 H new ATOM 0 HH11 ARG A 4 6.958 8.216 -18.347 1.00 0.00 H new ATOM 0 HH12 ARG A 4 8.599 8.758 -17.981 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.861 7.008 -15.021 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.632 8.102 -16.175 1.00 0.00 H new ATOM 83 N GLU A 5 4.071 5.053 -12.265 1.00 0.00 N ATOM 84 CA GLU A 5 4.714 4.103 -11.339 1.00 0.00 C ATOM 85 C GLU A 5 3.756 2.965 -10.918 1.00 0.00 C ATOM 86 O GLU A 5 4.149 1.797 -10.889 1.00 0.00 O ATOM 87 CB GLU A 5 5.269 4.866 -10.125 1.00 0.00 C ATOM 88 CG GLU A 5 6.096 3.980 -9.187 1.00 0.00 C ATOM 89 CD GLU A 5 6.605 4.783 -7.975 1.00 0.00 C ATOM 90 OE1 GLU A 5 5.869 4.888 -6.963 1.00 0.00 O ATOM 91 OE2 GLU A 5 7.745 5.308 -8.025 1.00 0.00 O ATOM 0 H GLU A 5 4.055 6.014 -11.924 1.00 0.00 H new ATOM 0 HA GLU A 5 5.543 3.620 -11.857 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.888 5.693 -10.474 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.440 5.302 -9.567 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.489 3.142 -8.844 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.942 3.559 -9.730 1.00 0.00 H new ATOM 98 N LEU A 6 2.487 3.299 -10.654 1.00 0.00 N ATOM 99 CA LEU A 6 1.410 2.367 -10.310 1.00 0.00 C ATOM 100 C LEU A 6 1.088 1.378 -11.444 1.00 0.00 C ATOM 101 O LEU A 6 1.260 0.165 -11.279 1.00 0.00 O ATOM 102 CB LEU A 6 0.166 3.193 -9.896 1.00 0.00 C ATOM 103 CG LEU A 6 -0.190 3.038 -8.413 1.00 0.00 C ATOM 104 CD1 LEU A 6 0.914 3.525 -7.472 1.00 0.00 C ATOM 105 CD2 LEU A 6 -1.451 3.842 -8.092 1.00 0.00 C ATOM 0 H LEU A 6 2.171 4.268 -10.676 1.00 0.00 H new ATOM 0 HA LEU A 6 1.737 1.745 -9.477 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.347 4.246 -10.112 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.686 2.885 -10.502 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.336 1.970 -8.252 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.598 3.387 -6.438 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.824 2.953 -7.652 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.107 4.582 -7.654 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.697 3.727 -7.036 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.276 4.895 -8.311 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.279 3.478 -8.700 1.00 0.00 H new ATOM 117 N LEU A 7 0.653 1.884 -12.605 1.00 0.00 N ATOM 118 CA LEU A 7 0.299 1.055 -13.764 1.00 0.00 C ATOM 119 C LEU A 7 1.464 0.175 -14.238 1.00 0.00 C ATOM 120 O LEU A 7 1.263 -1.008 -14.521 1.00 0.00 O ATOM 121 CB LEU A 7 -0.208 1.907 -14.946 1.00 0.00 C ATOM 122 CG LEU A 7 -1.701 2.287 -14.865 1.00 0.00 C ATOM 123 CD1 LEU A 7 -1.911 3.682 -14.284 1.00 0.00 C ATOM 124 CD2 LEU A 7 -2.343 2.252 -16.251 1.00 0.00 C ATOM 0 H LEU A 7 0.536 2.884 -12.767 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.505 0.404 -13.422 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.384 2.820 -15.000 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.035 1.360 -15.873 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.167 1.554 -14.207 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.978 3.904 -14.247 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.497 3.723 -13.277 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.409 4.417 -14.913 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.396 2.523 -16.171 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.835 2.960 -16.905 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.257 1.248 -16.666 1.00 0.00 H new ATOM 136 N LYS A 8 2.683 0.731 -14.300 1.00 0.00 N ATOM 137 CA LYS A 8 3.871 0.031 -14.811 1.00 0.00 C ATOM 138 C LYS A 8 4.374 -1.103 -13.897 1.00 0.00 C ATOM 139 O LYS A 8 5.274 -1.844 -14.295 1.00 0.00 O ATOM 140 CB LYS A 8 4.939 1.083 -15.162 1.00 0.00 C ATOM 141 CG LYS A 8 6.062 0.529 -16.045 1.00 0.00 C ATOM 142 CD LYS A 8 6.760 1.631 -16.851 1.00 0.00 C ATOM 143 CE LYS A 8 7.830 0.954 -17.708 1.00 0.00 C ATOM 144 NZ LYS A 8 8.497 1.902 -18.640 1.00 0.00 N ATOM 0 H LYS A 8 2.874 1.685 -13.995 1.00 0.00 H new ATOM 0 HA LYS A 8 3.601 -0.508 -15.719 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.462 1.919 -15.673 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.370 1.476 -14.241 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.795 0.018 -15.420 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.652 -0.215 -16.728 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.044 2.162 -17.478 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.209 2.369 -16.186 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.579 0.501 -17.058 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.375 0.146 -18.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.213 1.394 -19.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.789 2.316 -19.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.956 2.660 -18.095 1.00 0.00 H new ATOM 158 N GLY A 9 3.773 -1.292 -12.716 1.00 0.00 N ATOM 159 CA GLY A 9 4.120 -2.335 -11.762 1.00 0.00 C ATOM 160 C GLY A 9 3.032 -3.338 -11.429 1.00 0.00 C ATOM 161 O GLY A 9 3.327 -4.532 -11.366 1.00 0.00 O ATOM 0 H GLY A 9 3.007 -0.700 -12.394 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.979 -2.881 -12.151 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.439 -1.857 -10.835 1.00 0.00 H new ATOM 165 N GLU A 10 1.776 -2.914 -11.292 1.00 0.00 N ATOM 166 CA GLU A 10 0.680 -3.894 -11.144 1.00 0.00 C ATOM 167 C GLU A 10 0.588 -4.859 -12.332 1.00 0.00 C ATOM 168 O GLU A 10 0.301 -6.042 -12.128 1.00 0.00 O ATOM 169 CB GLU A 10 -0.695 -3.242 -10.878 1.00 0.00 C ATOM 170 CG GLU A 10 -1.046 -3.261 -9.383 1.00 0.00 C ATOM 171 CD GLU A 10 -2.547 -3.218 -9.098 1.00 0.00 C ATOM 172 OE1 GLU A 10 -3.260 -4.161 -9.472 1.00 0.00 O ATOM 173 OE2 GLU A 10 -3.036 -2.956 -7.986 1.00 0.00 O ATOM 0 H GLU A 10 1.489 -1.935 -11.279 1.00 0.00 H new ATOM 0 HA GLU A 10 0.943 -4.470 -10.257 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.687 -2.213 -11.238 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.465 -3.771 -11.440 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.626 -4.161 -8.933 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.569 -2.410 -8.897 1.00 0.00 H new ATOM 180 N LEU A 11 0.901 -4.412 -13.557 1.00 0.00 N ATOM 181 CA LEU A 11 0.829 -5.307 -14.718 1.00 0.00 C ATOM 182 C LEU A 11 1.861 -6.448 -14.667 1.00 0.00 C ATOM 183 O LEU A 11 1.612 -7.562 -15.127 1.00 0.00 O ATOM 184 CB LEU A 11 0.828 -4.438 -15.986 1.00 0.00 C ATOM 185 CG LEU A 11 2.137 -4.408 -16.781 1.00 0.00 C ATOM 186 CD1 LEU A 11 2.226 -5.536 -17.814 1.00 0.00 C ATOM 187 CD2 LEU A 11 2.262 -3.082 -17.527 1.00 0.00 C ATOM 0 H LEU A 11 1.199 -3.459 -13.766 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.104 -5.870 -14.717 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.034 -4.792 -16.644 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.575 -3.416 -15.702 1.00 0.00 H new ATOM 0 HG LEU A 11 2.941 -4.535 -16.056 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.174 -5.466 -18.348 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.165 -6.499 -17.307 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.403 -5.446 -18.523 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.195 -3.068 -18.090 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.422 -2.970 -18.213 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.258 -2.260 -16.811 1.00 0.00 H new ATOM 199 N GLN A 12 2.989 -6.174 -14.014 1.00 0.00 N ATOM 200 CA GLN A 12 4.124 -7.063 -13.826 1.00 0.00 C ATOM 201 C GLN A 12 3.833 -8.187 -12.811 1.00 0.00 C ATOM 202 O GLN A 12 4.597 -9.151 -12.721 1.00 0.00 O ATOM 203 CB GLN A 12 5.333 -6.188 -13.438 1.00 0.00 C ATOM 204 CG GLN A 12 6.665 -6.776 -13.912 1.00 0.00 C ATOM 205 CD GLN A 12 7.793 -5.747 -13.857 1.00 0.00 C ATOM 206 OE1 GLN A 12 8.117 -5.086 -14.836 1.00 0.00 O ATOM 207 NE2 GLN A 12 8.434 -5.562 -12.723 1.00 0.00 N ATOM 0 H GLN A 12 3.140 -5.265 -13.576 1.00 0.00 H new ATOM 0 HA GLN A 12 4.344 -7.596 -14.751 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.208 -5.193 -13.865 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.358 -6.070 -12.355 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.925 -7.633 -13.291 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.557 -7.143 -14.933 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.177 -6.104 -11.898 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.188 -4.877 -12.669 1.00 0.00 H new ATOM 216 N GLY A 13 2.702 -8.099 -12.094 1.00 0.00 N ATOM 217 CA GLY A 13 2.168 -9.165 -11.251 1.00 0.00 C ATOM 218 C GLY A 13 1.133 -10.027 -11.978 1.00 0.00 C ATOM 219 O GLY A 13 1.192 -11.251 -11.847 1.00 0.00 O ATOM 0 H GLY A 13 2.123 -7.260 -12.089 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.987 -9.798 -10.909 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.712 -8.727 -10.363 1.00 0.00 H new ATOM 223 N ILE A 14 0.242 -9.434 -12.797 1.00 0.00 N ATOM 224 CA ILE A 14 -0.860 -10.187 -13.456 1.00 0.00 C ATOM 225 C ILE A 14 -0.323 -11.393 -14.232 1.00 0.00 C ATOM 226 O ILE A 14 -0.829 -12.511 -14.127 1.00 0.00 O ATOM 227 CB ILE A 14 -1.688 -9.299 -14.420 1.00 0.00 C ATOM 228 CG1 ILE A 14 -2.361 -8.130 -13.680 1.00 0.00 C ATOM 229 CG2 ILE A 14 -2.772 -10.125 -15.152 1.00 0.00 C ATOM 230 CD1 ILE A 14 -2.994 -7.094 -14.613 1.00 0.00 C ATOM 0 H ILE A 14 0.258 -8.439 -13.022 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.513 -10.528 -12.652 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.987 -8.896 -15.151 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.130 -8.526 -13.016 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.621 -7.635 -13.051 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.336 -9.474 -15.821 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.297 -10.917 -15.731 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.448 -10.567 -14.420 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.449 -6.300 -14.020 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.226 -6.669 -15.260 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.758 -7.574 -15.224 1.00 0.00 H new ATOM 242 N LYS A 15 0.721 -11.144 -15.021 1.00 0.00 N ATOM 243 CA LYS A 15 1.267 -12.104 -15.976 1.00 0.00 C ATOM 244 C LYS A 15 2.029 -13.249 -15.311 1.00 0.00 C ATOM 245 O LYS A 15 1.993 -14.379 -15.796 1.00 0.00 O ATOM 246 CB LYS A 15 2.112 -11.312 -16.979 1.00 0.00 C ATOM 247 CG LYS A 15 2.367 -12.068 -18.290 1.00 0.00 C ATOM 248 CD LYS A 15 2.554 -11.063 -19.434 1.00 0.00 C ATOM 249 CE LYS A 15 1.196 -10.532 -19.921 1.00 0.00 C ATOM 250 NZ LYS A 15 1.346 -9.338 -20.794 1.00 0.00 N ATOM 0 H LYS A 15 1.219 -10.254 -15.014 1.00 0.00 H new ATOM 0 HA LYS A 15 0.456 -12.613 -16.497 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.610 -10.371 -17.203 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.069 -11.062 -16.520 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.254 -12.695 -18.194 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.530 -12.731 -18.508 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.175 -10.233 -19.097 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.081 -11.540 -20.261 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.674 -11.318 -20.468 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.577 -10.277 -19.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.407 -9.012 -21.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.821 -8.579 -20.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.915 -9.587 -21.628 1.00 0.00 H new ATOM 264 N GLN A 16 2.645 -12.979 -14.161 1.00 0.00 N ATOM 265 CA GLN A 16 3.366 -13.977 -13.376 1.00 0.00 C ATOM 266 C GLN A 16 2.453 -14.865 -12.515 1.00 0.00 C ATOM 267 O GLN A 16 2.731 -16.056 -12.360 1.00 0.00 O ATOM 268 CB GLN A 16 4.411 -13.249 -12.528 1.00 0.00 C ATOM 269 CG GLN A 16 5.757 -13.077 -13.244 1.00 0.00 C ATOM 270 CD GLN A 16 5.699 -12.356 -14.591 1.00 0.00 C ATOM 271 OE1 GLN A 16 5.571 -12.960 -15.647 1.00 0.00 O ATOM 272 NE2 GLN A 16 5.813 -11.045 -14.624 1.00 0.00 N ATOM 0 H GLN A 16 2.657 -12.048 -13.744 1.00 0.00 H new ATOM 0 HA GLN A 16 3.849 -14.671 -14.064 1.00 0.00 H new ATOM 0 HB2 GLN A 16 4.026 -12.267 -12.252 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.567 -13.802 -11.602 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.431 -12.528 -12.586 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.195 -14.063 -13.398 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.921 -10.520 -13.756 1.00 0.00 H new ATOM 0 HE22 GLN A 16 5.794 -10.554 -15.518 1.00 0.00 H new ATOM 281 N TYR A 17 1.317 -14.343 -12.040 1.00 0.00 N ATOM 282 CA TYR A 17 0.272 -15.146 -11.390 1.00 0.00 C ATOM 283 C TYR A 17 -0.234 -16.295 -12.266 1.00 0.00 C ATOM 284 O TYR A 17 -0.564 -17.374 -11.766 1.00 0.00 O ATOM 285 CB TYR A 17 -0.922 -14.252 -11.030 1.00 0.00 C ATOM 286 CG TYR A 17 -0.763 -13.456 -9.755 1.00 0.00 C ATOM 287 CD1 TYR A 17 -0.470 -14.105 -8.540 1.00 0.00 C ATOM 288 CD2 TYR A 17 -0.947 -12.064 -9.784 1.00 0.00 C ATOM 289 CE1 TYR A 17 -0.297 -13.345 -7.369 1.00 0.00 C ATOM 290 CE2 TYR A 17 -0.774 -11.301 -8.618 1.00 0.00 C ATOM 291 CZ TYR A 17 -0.440 -11.940 -7.408 1.00 0.00 C ATOM 292 OH TYR A 17 -0.351 -11.200 -6.271 1.00 0.00 O ATOM 0 H TYR A 17 1.094 -13.349 -12.095 1.00 0.00 H new ATOM 0 HA TYR A 17 0.726 -15.579 -10.499 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.099 -13.560 -11.853 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.811 -14.877 -10.942 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.379 -15.181 -8.507 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.223 -11.578 -10.708 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.054 -13.836 -6.438 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.897 -10.228 -8.649 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.473 -10.252 -6.487 1.00 0.00 H new ATOM 302 N ARG A 18 -0.261 -16.074 -13.584 1.00 0.00 N ATOM 303 CA ARG A 18 -0.733 -17.048 -14.575 1.00 0.00 C ATOM 304 C ARG A 18 0.143 -18.309 -14.649 1.00 0.00 C ATOM 305 O ARG A 18 -0.334 -19.370 -15.045 1.00 0.00 O ATOM 306 CB ARG A 18 -0.865 -16.344 -15.937 1.00 0.00 C ATOM 307 CG ARG A 18 -2.265 -16.494 -16.548 1.00 0.00 C ATOM 308 CD ARG A 18 -2.433 -15.514 -17.715 1.00 0.00 C ATOM 309 NE ARG A 18 -3.728 -15.695 -18.401 1.00 0.00 N ATOM 310 CZ ARG A 18 -4.365 -14.802 -19.138 1.00 0.00 C ATOM 311 NH1 ARG A 18 -3.919 -13.588 -19.305 1.00 0.00 N ATOM 312 NH2 ARG A 18 -5.478 -15.115 -19.736 1.00 0.00 N ATOM 0 H ARG A 18 0.050 -15.197 -14.001 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.711 -17.413 -14.262 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.637 -15.285 -15.818 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.126 -16.754 -16.626 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.412 -17.516 -16.896 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.025 -16.304 -15.790 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.358 -14.492 -17.345 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.621 -15.655 -18.428 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.178 -16.604 -18.295 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.049 -13.299 -18.859 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.440 -12.928 -19.882 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.863 -16.054 -19.637 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.965 -14.421 -20.303 1.00 0.00 H new ATOM 326 N GLU A 19 1.405 -18.205 -14.228 1.00 0.00 N ATOM 327 CA GLU A 19 2.360 -19.319 -14.141 1.00 0.00 C ATOM 328 C GLU A 19 2.252 -20.088 -12.811 1.00 0.00 C ATOM 329 O GLU A 19 2.430 -21.306 -12.774 1.00 0.00 O ATOM 330 CB GLU A 19 3.783 -18.751 -14.269 1.00 0.00 C ATOM 331 CG GLU A 19 4.762 -19.708 -14.963 1.00 0.00 C ATOM 332 CD GLU A 19 4.428 -19.895 -16.459 1.00 0.00 C ATOM 333 OE1 GLU A 19 4.666 -18.960 -17.262 1.00 0.00 O ATOM 334 OE2 GLU A 19 3.933 -20.982 -16.845 1.00 0.00 O ATOM 0 H GLU A 19 1.806 -17.316 -13.928 1.00 0.00 H new ATOM 0 HA GLU A 19 2.131 -20.019 -14.945 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.744 -17.816 -14.827 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.162 -18.513 -13.275 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.777 -19.323 -14.864 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.738 -20.676 -14.463 1.00 0.00 H new ATOM 341 N ALA A 20 1.948 -19.387 -11.713 1.00 0.00 N ATOM 342 CA ALA A 20 1.903 -19.973 -10.368 1.00 0.00 C ATOM 343 C ALA A 20 0.744 -20.971 -10.192 1.00 0.00 C ATOM 344 O ALA A 20 0.887 -21.980 -9.495 1.00 0.00 O ATOM 345 CB ALA A 20 1.833 -18.831 -9.347 1.00 0.00 C ATOM 0 H ALA A 20 1.725 -18.392 -11.732 1.00 0.00 H new ATOM 0 HA ALA A 20 2.809 -20.558 -10.207 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.799 -19.245 -8.339 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.714 -18.197 -9.449 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.936 -18.237 -9.526 1.00 0.00 H new ATOM 351 N LEU A 21 -0.379 -20.737 -10.881 1.00 0.00 N ATOM 352 CA LEU A 21 -1.505 -21.671 -10.955 1.00 0.00 C ATOM 353 C LEU A 21 -1.116 -23.028 -11.546 1.00 0.00 C ATOM 354 O LEU A 21 -1.662 -24.040 -11.120 1.00 0.00 O ATOM 355 CB LEU A 21 -2.663 -20.980 -11.697 1.00 0.00 C ATOM 356 CG LEU A 21 -3.975 -21.785 -11.807 1.00 0.00 C ATOM 357 CD1 LEU A 21 -5.178 -20.838 -11.845 1.00 0.00 C ATOM 358 CD2 LEU A 21 -4.045 -22.630 -13.085 1.00 0.00 C ATOM 0 H LEU A 21 -0.532 -19.879 -11.411 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.838 -21.917 -9.947 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.880 -20.038 -11.193 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.327 -20.733 -12.704 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.996 -22.438 -10.935 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.097 -21.420 -11.923 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.201 -20.243 -10.932 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.093 -20.177 -12.707 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.989 -23.175 -13.110 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.979 -21.978 -13.956 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.217 -23.338 -13.099 1.00 0.00 H new ATOM 370 N GLU A 22 -0.140 -23.103 -12.452 1.00 0.00 N ATOM 371 CA GLU A 22 0.271 -24.397 -13.024 1.00 0.00 C ATOM 372 C GLU A 22 0.975 -25.324 -12.015 1.00 0.00 C ATOM 373 O GLU A 22 0.913 -26.549 -12.135 1.00 0.00 O ATOM 374 CB GLU A 22 1.176 -24.180 -14.244 1.00 0.00 C ATOM 375 CG GLU A 22 0.518 -24.654 -15.548 1.00 0.00 C ATOM 376 CD GLU A 22 0.330 -26.186 -15.597 1.00 0.00 C ATOM 377 OE1 GLU A 22 -0.685 -26.696 -15.059 1.00 0.00 O ATOM 378 OE2 GLU A 22 1.186 -26.887 -16.190 1.00 0.00 O ATOM 0 H GLU A 22 0.378 -22.298 -12.805 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.650 -24.898 -13.322 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.422 -23.121 -14.328 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.114 -24.715 -14.098 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.452 -24.169 -15.658 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.129 -24.340 -16.394 1.00 0.00 H new ATOM 385 N TYR A 23 1.623 -24.741 -11.005 1.00 0.00 N ATOM 386 CA TYR A 23 2.387 -25.449 -9.972 1.00 0.00 C ATOM 387 C TYR A 23 1.554 -25.798 -8.727 1.00 0.00 C ATOM 388 O TYR A 23 2.034 -26.527 -7.854 1.00 0.00 O ATOM 389 CB TYR A 23 3.624 -24.608 -9.607 1.00 0.00 C ATOM 390 CG TYR A 23 4.855 -25.014 -10.393 1.00 0.00 C ATOM 391 CD1 TYR A 23 5.704 -26.012 -9.877 1.00 0.00 C ATOM 392 CD2 TYR A 23 5.127 -24.438 -11.650 1.00 0.00 C ATOM 393 CE1 TYR A 23 6.825 -26.437 -10.613 1.00 0.00 C ATOM 394 CE2 TYR A 23 6.248 -24.862 -12.392 1.00 0.00 C ATOM 395 CZ TYR A 23 7.100 -25.867 -11.875 1.00 0.00 C ATOM 396 OH TYR A 23 8.180 -26.296 -12.585 1.00 0.00 O ATOM 0 H TYR A 23 1.632 -23.729 -10.878 1.00 0.00 H new ATOM 0 HA TYR A 23 2.697 -26.410 -10.382 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.411 -23.555 -9.791 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.827 -24.711 -8.541 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.494 -26.452 -8.913 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.477 -23.672 -12.045 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.476 -27.200 -10.212 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.457 -24.420 -13.355 1.00 0.00 H new ATOM 0 HH TYR A 23 8.230 -25.806 -13.432 1.00 0.00 H new ATOM 406 N THR A 24 0.318 -25.294 -8.628 1.00 0.00 N ATOM 407 CA THR A 24 -0.477 -25.340 -7.384 1.00 0.00 C ATOM 408 C THR A 24 -1.977 -25.583 -7.588 1.00 0.00 C ATOM 409 O THR A 24 -2.621 -26.181 -6.725 1.00 0.00 O ATOM 410 CB THR A 24 -0.302 -24.020 -6.609 1.00 0.00 C ATOM 411 OG1 THR A 24 -0.840 -22.959 -7.366 1.00 0.00 O ATOM 412 CG2 THR A 24 1.140 -23.636 -6.269 1.00 0.00 C ATOM 0 H THR A 24 -0.164 -24.842 -9.405 1.00 0.00 H new ATOM 0 HA THR A 24 -0.094 -26.197 -6.829 1.00 0.00 H new ATOM 0 HB THR A 24 -0.818 -24.189 -5.664 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.198 -22.691 -8.056 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.146 -22.692 -5.724 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.588 -24.414 -5.651 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.714 -23.528 -7.189 1.00 0.00 H new ATOM 420 N HIS A 25 -2.539 -25.162 -8.730 1.00 0.00 N ATOM 421 CA HIS A 25 -3.967 -25.212 -9.103 1.00 0.00 C ATOM 422 C HIS A 25 -4.948 -24.757 -7.997 1.00 0.00 C ATOM 423 O HIS A 25 -6.095 -25.207 -7.936 1.00 0.00 O ATOM 424 CB HIS A 25 -4.269 -26.587 -9.739 1.00 0.00 C ATOM 425 CG HIS A 25 -3.783 -26.687 -11.169 1.00 0.00 C ATOM 426 ND1 HIS A 25 -4.546 -26.422 -12.292 1.00 0.00 N ATOM 427 CD2 HIS A 25 -2.516 -26.992 -11.594 1.00 0.00 C ATOM 428 CE1 HIS A 25 -3.760 -26.556 -13.378 1.00 0.00 C ATOM 429 NE2 HIS A 25 -2.521 -26.903 -12.978 1.00 0.00 N ATOM 0 H HIS A 25 -1.972 -24.749 -9.471 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.153 -24.448 -9.858 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -3.798 -27.370 -9.144 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.344 -26.768 -9.711 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.674 -27.252 -10.970 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.072 -26.409 -14.402 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -1.722 -27.072 -13.589 1.00 0.00 H new ATOM 438 N ASN A 26 -4.503 -23.862 -7.110 1.00 0.00 N ATOM 439 CA ASN A 26 -5.274 -23.360 -5.969 1.00 0.00 C ATOM 440 C ASN A 26 -6.337 -22.308 -6.379 1.00 0.00 C ATOM 441 O ASN A 26 -6.114 -21.530 -7.310 1.00 0.00 O ATOM 442 CB ASN A 26 -4.264 -22.851 -4.914 1.00 0.00 C ATOM 443 CG ASN A 26 -3.709 -23.969 -4.043 1.00 0.00 C ATOM 444 OD1 ASN A 26 -2.522 -24.240 -4.006 1.00 0.00 O ATOM 445 ND2 ASN A 26 -4.540 -24.650 -3.290 1.00 0.00 N ATOM 0 H ASN A 26 -3.569 -23.455 -7.168 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.870 -24.162 -5.534 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.440 -22.347 -5.419 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.750 -22.110 -4.280 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.189 -25.393 -2.686 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.537 -24.436 -3.309 1.00 0.00 H new ATOM 452 N PRO A 27 -7.484 -22.225 -5.668 1.00 0.00 N ATOM 453 CA PRO A 27 -8.571 -21.286 -5.984 1.00 0.00 C ATOM 454 C PRO A 27 -8.238 -19.824 -5.640 1.00 0.00 C ATOM 455 O PRO A 27 -8.963 -18.910 -6.031 1.00 0.00 O ATOM 456 CB PRO A 27 -9.775 -21.784 -5.175 1.00 0.00 C ATOM 457 CG PRO A 27 -9.130 -22.422 -3.947 1.00 0.00 C ATOM 458 CD PRO A 27 -7.857 -23.043 -4.517 1.00 0.00 C ATOM 0 HA PRO A 27 -8.760 -21.272 -7.057 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.442 -20.967 -4.901 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.369 -22.504 -5.738 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.910 -21.683 -3.176 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.778 -23.172 -3.494 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.061 -23.052 -3.772 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.028 -24.078 -4.814 1.00 0.00 H new ATOM 466 N VAL A 28 -7.137 -19.588 -4.918 1.00 0.00 N ATOM 467 CA VAL A 28 -6.692 -18.253 -4.492 1.00 0.00 C ATOM 468 C VAL A 28 -6.264 -17.385 -5.671 1.00 0.00 C ATOM 469 O VAL A 28 -6.541 -16.191 -5.713 1.00 0.00 O ATOM 470 CB VAL A 28 -5.572 -18.421 -3.447 1.00 0.00 C ATOM 471 CG1 VAL A 28 -4.178 -18.697 -4.031 1.00 0.00 C ATOM 472 CG2 VAL A 28 -5.531 -17.208 -2.534 1.00 0.00 C ATOM 0 H VAL A 28 -6.516 -20.335 -4.606 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.528 -17.722 -4.036 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.828 -19.318 -2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.457 -18.800 -3.220 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.203 -19.618 -4.613 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.883 -17.869 -4.675 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.737 -17.333 -1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.339 -16.313 -3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.488 -17.106 -2.022 1.00 0.00 H new ATOM 482 N LEU A 29 -5.643 -17.998 -6.678 1.00 0.00 N ATOM 483 CA LEU A 29 -5.156 -17.324 -7.880 1.00 0.00 C ATOM 484 C LEU A 29 -6.332 -16.800 -8.722 1.00 0.00 C ATOM 485 O LEU A 29 -6.279 -15.677 -9.223 1.00 0.00 O ATOM 486 CB LEU A 29 -4.298 -18.336 -8.647 1.00 0.00 C ATOM 487 CG LEU A 29 -3.067 -18.836 -7.859 1.00 0.00 C ATOM 488 CD1 LEU A 29 -3.000 -20.357 -7.840 1.00 0.00 C ATOM 489 CD2 LEU A 29 -1.778 -18.269 -8.442 1.00 0.00 C ATOM 0 H LEU A 29 -5.460 -19.002 -6.680 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.555 -16.451 -7.628 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.917 -19.192 -8.917 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.961 -17.880 -9.578 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.175 -18.483 -6.834 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.122 -20.676 -7.278 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.898 -20.755 -7.367 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.932 -20.731 -8.862 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.927 -18.637 -7.869 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.679 -18.584 -9.481 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.805 -17.180 -8.394 1.00 0.00 H new ATOM 501 N ALA A 30 -7.441 -17.549 -8.750 1.00 0.00 N ATOM 502 CA ALA A 30 -8.740 -17.157 -9.317 1.00 0.00 C ATOM 503 C ALA A 30 -9.478 -16.052 -8.514 1.00 0.00 C ATOM 504 O ALA A 30 -10.663 -15.794 -8.747 1.00 0.00 O ATOM 505 CB ALA A 30 -9.591 -18.427 -9.468 1.00 0.00 C ATOM 0 H ALA A 30 -7.459 -18.491 -8.359 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.564 -16.696 -10.289 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.563 -18.166 -9.887 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.085 -19.127 -10.133 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.730 -18.890 -8.491 1.00 0.00 H new ATOM 511 N LYS A 31 -8.782 -15.392 -7.579 1.00 0.00 N ATOM 512 CA LYS A 31 -9.242 -14.283 -6.741 1.00 0.00 C ATOM 513 C LYS A 31 -8.206 -13.161 -6.675 1.00 0.00 C ATOM 514 O LYS A 31 -8.565 -11.999 -6.848 1.00 0.00 O ATOM 515 CB LYS A 31 -9.600 -14.837 -5.344 1.00 0.00 C ATOM 516 CG LYS A 31 -10.951 -14.324 -4.827 1.00 0.00 C ATOM 517 CD LYS A 31 -11.364 -15.093 -3.562 1.00 0.00 C ATOM 518 CE LYS A 31 -12.767 -14.672 -3.104 1.00 0.00 C ATOM 519 NZ LYS A 31 -13.260 -15.531 -1.995 1.00 0.00 N ATOM 0 H LYS A 31 -7.813 -15.639 -7.376 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.133 -13.835 -7.181 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.622 -15.926 -5.385 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.817 -14.561 -4.637 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.883 -13.258 -4.607 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.712 -14.443 -5.598 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.347 -16.165 -3.760 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.644 -14.905 -2.765 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.748 -13.632 -2.779 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.458 -14.730 -3.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.210 -15.219 -1.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.302 -16.520 -2.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.613 -15.456 -1.184 1.00 0.00 H new ATOM 533 N ILE A 32 -6.922 -13.502 -6.540 1.00 0.00 N ATOM 534 CA ILE A 32 -5.819 -12.531 -6.546 1.00 0.00 C ATOM 535 C ILE A 32 -5.681 -11.859 -7.912 1.00 0.00 C ATOM 536 O ILE A 32 -6.025 -10.686 -8.049 1.00 0.00 O ATOM 537 CB ILE A 32 -4.485 -13.154 -6.093 1.00 0.00 C ATOM 538 CG1 ILE A 32 -4.521 -13.779 -4.682 1.00 0.00 C ATOM 539 CG2 ILE A 32 -3.416 -12.051 -6.079 1.00 0.00 C ATOM 540 CD1 ILE A 32 -3.454 -14.871 -4.566 1.00 0.00 C ATOM 0 H ILE A 32 -6.614 -14.467 -6.422 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.072 -11.763 -5.815 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.269 -13.957 -6.797 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.349 -13.009 -3.930 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.507 -14.200 -4.487 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.463 -12.472 -5.760 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.312 -11.633 -7.080 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.714 -11.264 -5.386 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.486 -15.307 -3.567 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.646 -15.647 -5.307 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.469 -14.438 -4.741 1.00 0.00 H new ATOM 552 N LEU A 33 -5.219 -12.585 -8.937 1.00 0.00 N ATOM 553 CA LEU A 33 -5.035 -12.013 -10.277 1.00 0.00 C ATOM 554 C LEU A 33 -6.378 -11.613 -10.909 1.00 0.00 C ATOM 555 O LEU A 33 -6.421 -10.724 -11.754 1.00 0.00 O ATOM 556 CB LEU A 33 -4.192 -12.963 -11.150 1.00 0.00 C ATOM 557 CG LEU A 33 -4.992 -14.052 -11.887 1.00 0.00 C ATOM 558 CD1 LEU A 33 -5.292 -13.674 -13.340 1.00 0.00 C ATOM 559 CD2 LEU A 33 -4.284 -15.407 -11.916 1.00 0.00 C ATOM 0 H LEU A 33 -4.965 -13.570 -8.864 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.472 -11.083 -10.196 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.650 -12.370 -11.887 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.446 -13.446 -10.519 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.915 -14.132 -11.313 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.858 -14.475 -13.815 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.876 -12.754 -13.363 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.356 -13.523 -13.877 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.902 -16.129 -12.450 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.324 -15.305 -12.423 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.120 -15.754 -10.896 1.00 0.00 H new ATOM 571 N GLU A 34 -7.472 -12.237 -10.459 1.00 0.00 N ATOM 572 CA GLU A 34 -8.831 -11.870 -10.846 1.00 0.00 C ATOM 573 C GLU A 34 -9.150 -10.417 -10.450 1.00 0.00 C ATOM 574 O GLU A 34 -9.743 -9.679 -11.236 1.00 0.00 O ATOM 575 CB GLU A 34 -9.818 -12.866 -10.217 1.00 0.00 C ATOM 576 CG GLU A 34 -11.246 -12.809 -10.783 1.00 0.00 C ATOM 577 CD GLU A 34 -11.428 -13.574 -12.114 1.00 0.00 C ATOM 578 OE1 GLU A 34 -10.476 -13.671 -12.927 1.00 0.00 O ATOM 579 OE2 GLU A 34 -12.550 -14.078 -12.367 1.00 0.00 O ATOM 0 H GLU A 34 -7.434 -13.021 -9.807 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.926 -11.922 -11.931 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.429 -13.875 -10.353 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.861 -12.683 -9.143 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.935 -13.218 -10.044 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.524 -11.766 -10.935 1.00 0.00 H new ATOM 586 N ASP A 35 -8.696 -9.964 -9.271 1.00 0.00 N ATOM 587 CA ASP A 35 -8.719 -8.550 -8.899 1.00 0.00 C ATOM 588 C ASP A 35 -7.703 -7.702 -9.659 1.00 0.00 C ATOM 589 O ASP A 35 -8.079 -6.653 -10.186 1.00 0.00 O ATOM 590 CB ASP A 35 -8.480 -8.403 -7.396 1.00 0.00 C ATOM 591 CG ASP A 35 -9.583 -8.960 -6.482 1.00 0.00 C ATOM 592 OD1 ASP A 35 -10.768 -9.015 -6.902 1.00 0.00 O ATOM 593 OD2 ASP A 35 -9.242 -9.276 -5.316 1.00 0.00 O ATOM 0 H ASP A 35 -8.304 -10.572 -8.552 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.707 -8.178 -9.171 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.543 -8.901 -7.147 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.349 -7.345 -7.171 1.00 0.00 H new ATOM 598 N GLU A 36 -6.446 -8.138 -9.785 1.00 0.00 N ATOM 599 CA GLU A 36 -5.444 -7.369 -10.527 1.00 0.00 C ATOM 600 C GLU A 36 -5.842 -7.076 -11.988 1.00 0.00 C ATOM 601 O GLU A 36 -5.402 -6.079 -12.557 1.00 0.00 O ATOM 602 CB GLU A 36 -4.083 -8.066 -10.485 1.00 0.00 C ATOM 603 CG GLU A 36 -3.568 -8.515 -9.115 1.00 0.00 C ATOM 604 CD GLU A 36 -3.444 -7.445 -8.034 1.00 0.00 C ATOM 605 OE1 GLU A 36 -3.883 -6.278 -8.166 1.00 0.00 O ATOM 606 OE2 GLU A 36 -2.898 -7.758 -6.952 1.00 0.00 O ATOM 0 H GLU A 36 -6.101 -9.011 -9.387 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.380 -6.405 -10.023 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.132 -8.943 -11.131 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.345 -7.392 -10.919 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.232 -9.296 -8.743 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.587 -8.970 -9.255 1.00 0.00 H new ATOM 613 N GLU A 37 -6.723 -7.889 -12.580 1.00 0.00 N ATOM 614 CA GLU A 37 -7.193 -7.709 -13.963 1.00 0.00 C ATOM 615 C GLU A 37 -8.092 -6.464 -14.106 1.00 0.00 C ATOM 616 O GLU A 37 -8.091 -5.793 -15.141 1.00 0.00 O ATOM 617 CB GLU A 37 -7.920 -8.990 -14.412 1.00 0.00 C ATOM 618 CG GLU A 37 -8.141 -9.097 -15.931 1.00 0.00 C ATOM 619 CD GLU A 37 -9.619 -8.918 -16.340 1.00 0.00 C ATOM 620 OE1 GLU A 37 -10.446 -9.818 -16.050 1.00 0.00 O ATOM 621 OE2 GLU A 37 -9.962 -7.904 -16.994 1.00 0.00 O ATOM 0 H GLU A 37 -7.134 -8.697 -12.112 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.334 -7.537 -14.612 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.346 -9.855 -14.079 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.887 -9.038 -13.912 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.537 -8.343 -16.434 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.790 -10.069 -16.276 1.00 0.00 H new ATOM 628 N LYS A 38 -8.811 -6.127 -13.029 1.00 0.00 N ATOM 629 CA LYS A 38 -9.690 -4.952 -12.885 1.00 0.00 C ATOM 630 C LYS A 38 -8.937 -3.746 -12.357 1.00 0.00 C ATOM 631 O LYS A 38 -9.146 -2.642 -12.847 1.00 0.00 O ATOM 632 CB LYS A 38 -10.841 -5.303 -11.922 1.00 0.00 C ATOM 633 CG LYS A 38 -11.650 -6.528 -12.384 1.00 0.00 C ATOM 634 CD LYS A 38 -12.739 -6.977 -11.401 1.00 0.00 C ATOM 635 CE LYS A 38 -12.108 -7.535 -10.119 1.00 0.00 C ATOM 636 NZ LYS A 38 -13.086 -8.260 -9.266 1.00 0.00 N ATOM 0 H LYS A 38 -8.797 -6.698 -12.184 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.079 -4.694 -13.870 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.433 -5.495 -10.930 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.508 -4.446 -11.832 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.115 -6.300 -13.343 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.964 -7.359 -12.552 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.387 -6.135 -11.158 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.366 -7.738 -11.866 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.293 -8.209 -10.384 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.671 -6.716 -9.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.607 -8.616 -8.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.851 -7.613 -8.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.485 -9.060 -9.798 1.00 0.00 H new ATOM 650 N HIS A 39 -8.031 -3.953 -11.401 1.00 0.00 N ATOM 651 CA HIS A 39 -7.313 -2.922 -10.671 1.00 0.00 C ATOM 652 C HIS A 39 -6.642 -1.862 -11.544 1.00 0.00 C ATOM 653 O HIS A 39 -6.806 -0.675 -11.281 1.00 0.00 O ATOM 654 CB HIS A 39 -6.265 -3.638 -9.850 1.00 0.00 C ATOM 655 CG HIS A 39 -6.716 -4.162 -8.526 1.00 0.00 C ATOM 656 ND1 HIS A 39 -5.826 -4.351 -7.475 1.00 0.00 N ATOM 657 CD2 HIS A 39 -7.983 -4.481 -8.125 1.00 0.00 C ATOM 658 CE1 HIS A 39 -6.588 -4.753 -6.441 1.00 0.00 C ATOM 659 NE2 HIS A 39 -7.882 -4.829 -6.797 1.00 0.00 N ATOM 0 H HIS A 39 -7.769 -4.893 -11.104 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.035 -2.368 -10.071 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.880 -4.472 -10.437 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.433 -2.954 -9.683 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.880 -4.464 -8.727 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.210 -4.984 -5.456 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.655 -5.098 -6.188 1.00 0.00 H new ATOM 667 N ILE A 40 -5.900 -2.271 -12.577 1.00 0.00 N ATOM 668 CA ILE A 40 -5.149 -1.339 -13.436 1.00 0.00 C ATOM 669 C ILE A 40 -6.078 -0.367 -14.167 1.00 0.00 C ATOM 670 O ILE A 40 -5.727 0.799 -14.328 1.00 0.00 O ATOM 671 CB ILE A 40 -4.242 -2.112 -14.418 1.00 0.00 C ATOM 672 CG1 ILE A 40 -3.226 -2.930 -13.597 1.00 0.00 C ATOM 673 CG2 ILE A 40 -3.494 -1.180 -15.393 1.00 0.00 C ATOM 674 CD1 ILE A 40 -2.255 -3.732 -14.458 1.00 0.00 C ATOM 0 H ILE A 40 -5.800 -3.250 -12.844 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.508 -0.736 -12.793 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.872 -2.762 -15.025 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.659 -2.254 -12.957 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.766 -3.612 -12.940 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.871 -1.776 -16.060 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.216 -0.613 -15.980 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.865 -0.492 -14.828 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.569 -4.283 -13.815 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.813 -4.433 -15.079 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.689 -3.054 -15.096 1.00 0.00 H new ATOM 686 N GLU A 41 -7.274 -0.811 -14.559 1.00 0.00 N ATOM 687 CA GLU A 41 -8.313 0.076 -15.095 1.00 0.00 C ATOM 688 C GLU A 41 -9.061 0.823 -13.983 1.00 0.00 C ATOM 689 O GLU A 41 -9.314 2.020 -14.114 1.00 0.00 O ATOM 690 CB GLU A 41 -9.272 -0.708 -16.002 1.00 0.00 C ATOM 691 CG GLU A 41 -8.569 -1.116 -17.309 1.00 0.00 C ATOM 692 CD GLU A 41 -9.531 -1.817 -18.289 1.00 0.00 C ATOM 693 OE1 GLU A 41 -10.471 -1.162 -18.803 1.00 0.00 O ATOM 694 OE2 GLU A 41 -9.338 -3.023 -18.581 1.00 0.00 O ATOM 0 H GLU A 41 -7.551 -1.792 -14.515 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.823 0.838 -15.701 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.628 -1.597 -15.482 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.147 -0.099 -16.228 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.148 -0.231 -17.786 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.736 -1.781 -17.080 1.00 0.00 H new ATOM 701 N TRP A 42 -9.332 0.171 -12.850 1.00 0.00 N ATOM 702 CA TRP A 42 -9.896 0.805 -11.648 1.00 0.00 C ATOM 703 C TRP A 42 -9.141 2.076 -11.174 1.00 0.00 C ATOM 704 O TRP A 42 -9.799 3.036 -10.786 1.00 0.00 O ATOM 705 CB TRP A 42 -10.030 -0.277 -10.556 1.00 0.00 C ATOM 706 CG TRP A 42 -11.216 -1.189 -10.619 1.00 0.00 C ATOM 707 CD1 TRP A 42 -12.160 -1.215 -11.588 1.00 0.00 C ATOM 708 CD2 TRP A 42 -11.604 -2.222 -9.658 1.00 0.00 C ATOM 709 NE1 TRP A 42 -13.117 -2.157 -11.277 1.00 0.00 N ATOM 710 CE2 TRP A 42 -12.825 -2.814 -10.101 1.00 0.00 C ATOM 711 CE3 TRP A 42 -11.051 -2.721 -8.457 1.00 0.00 C ATOM 712 CZ2 TRP A 42 -13.464 -3.843 -9.391 1.00 0.00 C ATOM 713 CZ3 TRP A 42 -11.675 -3.762 -7.743 1.00 0.00 C ATOM 714 CH2 TRP A 42 -12.881 -4.321 -8.204 1.00 0.00 C ATOM 0 H TRP A 42 -9.164 -0.829 -12.736 1.00 0.00 H new ATOM 0 HA TRP A 42 -10.882 1.200 -11.895 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.132 -0.894 -10.583 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.044 0.224 -9.588 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.163 -0.593 -12.471 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -13.941 -2.345 -11.848 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.133 -2.296 -8.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.392 -4.262 -9.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.224 -4.134 -6.835 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.358 -5.115 -7.648 1.00 0.00 H new ATOM 725 N LEU A 43 -7.803 2.155 -11.285 1.00 0.00 N ATOM 726 CA LEU A 43 -6.939 3.340 -10.994 1.00 0.00 C ATOM 727 C LEU A 43 -6.627 4.267 -12.204 1.00 0.00 C ATOM 728 O LEU A 43 -5.654 5.019 -12.209 1.00 0.00 O ATOM 729 CB LEU A 43 -5.677 2.897 -10.234 1.00 0.00 C ATOM 730 CG LEU A 43 -4.845 1.841 -10.981 1.00 0.00 C ATOM 731 CD1 LEU A 43 -3.595 2.417 -11.614 1.00 0.00 C ATOM 732 CD2 LEU A 43 -4.364 0.764 -10.030 1.00 0.00 C ATOM 0 H LEU A 43 -7.253 1.355 -11.597 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.533 3.990 -10.352 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.053 3.770 -10.043 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.970 2.496 -9.264 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.510 1.447 -11.750 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.049 1.625 -12.127 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.873 3.189 -12.331 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.962 2.852 -10.840 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.778 0.028 -10.580 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.745 1.214 -9.254 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.223 0.274 -9.571 1.00 0.00 H new ATOM 744 N GLU A 44 -7.483 4.247 -13.220 1.00 0.00 N ATOM 745 CA GLU A 44 -7.379 4.900 -14.534 1.00 0.00 C ATOM 746 C GLU A 44 -8.726 5.493 -14.947 1.00 0.00 C ATOM 747 O GLU A 44 -8.798 6.652 -15.350 1.00 0.00 O ATOM 748 CB GLU A 44 -6.972 3.849 -15.579 1.00 0.00 C ATOM 749 CG GLU A 44 -5.814 4.296 -16.471 1.00 0.00 C ATOM 750 CD GLU A 44 -6.232 5.283 -17.583 1.00 0.00 C ATOM 751 OE1 GLU A 44 -7.145 4.962 -18.381 1.00 0.00 O ATOM 752 OE2 GLU A 44 -5.614 6.369 -17.701 1.00 0.00 O ATOM 0 H GLU A 44 -8.355 3.723 -13.143 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.638 5.697 -14.473 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.692 2.928 -15.067 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.834 3.617 -16.205 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.049 4.764 -15.851 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.360 3.417 -16.929 1.00 0.00 H new ATOM 759 N THR A 45 -9.813 4.743 -14.733 1.00 0.00 N ATOM 760 CA THR A 45 -11.197 5.226 -14.761 1.00 0.00 C ATOM 761 C THR A 45 -11.376 6.513 -13.944 1.00 0.00 C ATOM 762 O THR A 45 -12.078 7.431 -14.366 1.00 0.00 O ATOM 763 CB THR A 45 -12.141 4.122 -14.263 1.00 0.00 C ATOM 764 OG1 THR A 45 -12.114 3.016 -15.143 1.00 0.00 O ATOM 765 CG2 THR A 45 -13.600 4.551 -14.125 1.00 0.00 C ATOM 0 H THR A 45 -9.750 3.746 -14.528 1.00 0.00 H new ATOM 0 HA THR A 45 -11.447 5.473 -15.793 1.00 0.00 H new ATOM 0 HB THR A 45 -11.768 3.870 -13.270 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.277 2.521 -15.021 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.194 3.710 -13.768 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.672 5.374 -13.413 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.977 4.876 -15.095 1.00 0.00 H new ATOM 773 N ILE A 46 -10.675 6.612 -12.809 1.00 0.00 N ATOM 774 CA ILE A 46 -10.648 7.785 -11.911 1.00 0.00 C ATOM 775 C ILE A 46 -10.181 9.069 -12.619 1.00 0.00 C ATOM 776 O ILE A 46 -10.657 10.166 -12.323 1.00 0.00 O ATOM 777 CB ILE A 46 -9.758 7.529 -10.662 1.00 0.00 C ATOM 778 CG1 ILE A 46 -9.734 6.040 -10.254 1.00 0.00 C ATOM 779 CG2 ILE A 46 -10.210 8.438 -9.503 1.00 0.00 C ATOM 780 CD1 ILE A 46 -9.164 5.715 -8.874 1.00 0.00 C ATOM 0 H ILE A 46 -10.086 5.850 -12.473 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.680 7.934 -11.593 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.730 7.783 -10.920 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.754 5.659 -10.299 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.156 5.493 -10.998 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.583 8.254 -8.631 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.118 9.482 -9.802 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.249 8.222 -9.255 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.203 4.638 -8.708 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.129 6.053 -8.819 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -9.752 6.221 -8.109 1.00 0.00 H new ATOM 792 N LEU A 47 -9.245 8.927 -13.560 1.00 0.00 N ATOM 793 CA LEU A 47 -8.577 10.029 -14.253 1.00 0.00 C ATOM 794 C LEU A 47 -9.439 10.686 -15.349 1.00 0.00 C ATOM 795 O LEU A 47 -9.236 11.862 -15.663 1.00 0.00 O ATOM 796 CB LEU A 47 -7.246 9.531 -14.852 1.00 0.00 C ATOM 797 CG LEU A 47 -6.293 8.844 -13.853 1.00 0.00 C ATOM 798 CD1 LEU A 47 -5.072 8.306 -14.594 1.00 0.00 C ATOM 799 CD2 LEU A 47 -5.824 9.802 -12.757 1.00 0.00 C ATOM 0 H LEU A 47 -8.921 8.011 -13.870 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.395 10.803 -13.508 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.468 8.831 -15.658 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.728 10.379 -15.300 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.845 8.031 -13.382 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.401 7.821 -13.885 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.391 7.583 -15.344 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.551 9.129 -15.082 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.155 9.276 -12.076 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.295 10.641 -13.209 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.687 10.172 -12.204 1.00 0.00 H new ATOM 811 N GLY A 48 -10.390 9.946 -15.932 1.00 0.00 N ATOM 812 CA GLY A 48 -11.252 10.433 -17.020 1.00 0.00 C ATOM 813 C GLY A 48 -12.022 9.349 -17.792 1.00 0.00 C ATOM 814 O GLY A 48 -12.329 9.526 -18.971 1.00 0.00 O ATOM 0 H GLY A 48 -10.586 8.983 -15.660 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.972 11.137 -16.602 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.636 10.989 -17.727 1.00 0.00 H new HETATM 818 N NH2 A 49 -12.318 8.205 -17.187 1.00 0.00 N TER 821 NH2 A 49 HETATM 822 C ACE B 0 9.549 -19.694 -6.072 1.00 0.00 C HETATM 823 O ACE B 0 8.808 -18.944 -5.444 1.00 0.00 O HETATM 824 CH3 ACE B 0 9.182 -21.146 -6.254 1.00 0.00 C HETATM 0 H1 ACE B 0 9.094 -21.369 -7.317 1.00 0.00 H new HETATM 0 H2 ACE B 0 9.956 -21.775 -5.815 1.00 0.00 H new HETATM 0 H3 ACE B 0 8.230 -21.345 -5.762 1.00 0.00 H new ATOM 828 N ASP B 1 10.686 -19.293 -6.637 1.00 0.00 N ATOM 829 CA ASP B 1 11.262 -17.940 -6.516 1.00 0.00 C ATOM 830 C ASP B 1 10.306 -16.803 -6.924 1.00 0.00 C ATOM 831 O ASP B 1 10.366 -15.694 -6.385 1.00 0.00 O ATOM 832 CB ASP B 1 12.542 -17.889 -7.359 1.00 0.00 C ATOM 833 CG ASP B 1 13.389 -16.637 -7.067 1.00 0.00 C ATOM 834 OD1 ASP B 1 13.916 -16.514 -5.935 1.00 0.00 O ATOM 835 OD2 ASP B 1 13.562 -15.795 -7.981 1.00 0.00 O ATOM 0 H ASP B 1 11.256 -19.914 -7.211 1.00 0.00 H new ATOM 0 HA ASP B 1 11.470 -17.768 -5.460 1.00 0.00 H new ATOM 0 HB2 ASP B 1 13.138 -18.781 -7.164 1.00 0.00 H new ATOM 0 HB3 ASP B 1 12.278 -17.907 -8.416 1.00 0.00 H new ATOM 840 N TYR B 2 9.378 -17.105 -7.835 1.00 0.00 N ATOM 841 CA TYR B 2 8.304 -16.207 -8.278 1.00 0.00 C ATOM 842 C TYR B 2 7.485 -15.649 -7.117 1.00 0.00 C ATOM 843 O TYR B 2 7.129 -14.477 -7.125 1.00 0.00 O ATOM 844 CB TYR B 2 7.322 -16.938 -9.208 1.00 0.00 C ATOM 845 CG TYR B 2 7.922 -18.010 -10.083 1.00 0.00 C ATOM 846 CD1 TYR B 2 8.821 -17.666 -11.106 1.00 0.00 C ATOM 847 CD2 TYR B 2 7.607 -19.360 -9.836 1.00 0.00 C ATOM 848 CE1 TYR B 2 9.411 -18.677 -11.884 1.00 0.00 C ATOM 849 CE2 TYR B 2 8.191 -20.374 -10.614 1.00 0.00 C ATOM 850 CZ TYR B 2 9.101 -20.036 -11.643 1.00 0.00 C ATOM 851 OH TYR B 2 9.686 -21.005 -12.398 1.00 0.00 O ATOM 0 H TYR B 2 9.351 -18.012 -8.302 1.00 0.00 H new ATOM 0 HA TYR B 2 8.807 -15.390 -8.796 1.00 0.00 H new ATOM 0 HB2 TYR B 2 6.540 -17.389 -8.597 1.00 0.00 H new ATOM 0 HB3 TYR B 2 6.840 -16.200 -9.849 1.00 0.00 H new ATOM 0 HD1 TYR B 2 9.058 -16.629 -11.294 1.00 0.00 H new ATOM 0 HD2 TYR B 2 6.915 -19.617 -9.047 1.00 0.00 H new ATOM 0 HE1 TYR B 2 10.104 -18.415 -12.670 1.00 0.00 H new ATOM 0 HE2 TYR B 2 7.946 -21.409 -10.427 1.00 0.00 H new ATOM 0 HH TYR B 2 9.368 -21.884 -12.105 1.00 0.00 H new ATOM 861 N LEU B 3 7.182 -16.486 -6.123 1.00 0.00 N ATOM 862 CA LEU B 3 6.335 -16.144 -4.977 1.00 0.00 C ATOM 863 C LEU B 3 6.985 -15.044 -4.142 1.00 0.00 C ATOM 864 O LEU B 3 6.317 -14.074 -3.800 1.00 0.00 O ATOM 865 CB LEU B 3 6.077 -17.398 -4.123 1.00 0.00 C ATOM 866 CG LEU B 3 5.248 -18.468 -4.855 1.00 0.00 C ATOM 867 CD1 LEU B 3 5.376 -19.818 -4.153 1.00 0.00 C ATOM 868 CD2 LEU B 3 3.764 -18.089 -4.910 1.00 0.00 C ATOM 0 H LEU B 3 7.527 -17.445 -6.091 1.00 0.00 H new ATOM 0 HA LEU B 3 5.379 -15.770 -5.343 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.032 -17.829 -3.824 1.00 0.00 H new ATOM 0 HB3 LEU B 3 5.558 -17.107 -3.209 1.00 0.00 H new ATOM 0 HG LEU B 3 5.638 -18.534 -5.871 1.00 0.00 H new ATOM 0 HD11 LEU B 3 4.783 -20.562 -4.685 1.00 0.00 H new ATOM 0 HD12 LEU B 3 6.422 -20.126 -4.144 1.00 0.00 H new ATOM 0 HD13 LEU B 3 5.015 -19.731 -3.128 1.00 0.00 H new ATOM 0 HD21 LEU B 3 3.209 -18.867 -5.434 1.00 0.00 H new ATOM 0 HD22 LEU B 3 3.377 -17.987 -3.896 1.00 0.00 H new ATOM 0 HD23 LEU B 3 3.649 -17.143 -5.439 1.00 0.00 H new ATOM 880 N ARG B 4 8.297 -15.137 -3.890 1.00 0.00 N ATOM 881 CA ARG B 4 9.064 -14.054 -3.250 1.00 0.00 C ATOM 882 C ARG B 4 9.001 -12.767 -4.080 1.00 0.00 C ATOM 883 O ARG B 4 8.721 -11.702 -3.539 1.00 0.00 O ATOM 884 CB ARG B 4 10.523 -14.489 -3.020 1.00 0.00 C ATOM 885 CG ARG B 4 11.253 -13.555 -2.035 1.00 0.00 C ATOM 886 CD ARG B 4 12.697 -13.278 -2.470 1.00 0.00 C ATOM 887 NE ARG B 4 13.408 -12.450 -1.475 1.00 0.00 N ATOM 888 CZ ARG B 4 14.610 -11.915 -1.609 1.00 0.00 C ATOM 889 NH1 ARG B 4 15.318 -12.057 -2.694 1.00 0.00 N ATOM 890 NH2 ARG B 4 15.133 -11.217 -0.640 1.00 0.00 N ATOM 0 H ARG B 4 8.856 -15.958 -4.121 1.00 0.00 H new ATOM 0 HA ARG B 4 8.611 -13.845 -2.281 1.00 0.00 H new ATOM 0 HB2 ARG B 4 10.541 -15.509 -2.635 1.00 0.00 H new ATOM 0 HB3 ARG B 4 11.053 -14.498 -3.972 1.00 0.00 H new ATOM 0 HG2 ARG B 4 10.710 -12.613 -1.959 1.00 0.00 H new ATOM 0 HG3 ARG B 4 11.253 -14.004 -1.042 1.00 0.00 H new ATOM 0 HD2 ARG B 4 13.226 -14.222 -2.605 1.00 0.00 H new ATOM 0 HD3 ARG B 4 12.697 -12.771 -3.435 1.00 0.00 H new ATOM 0 HE ARG B 4 12.923 -12.273 -0.595 1.00 0.00 H new ATOM 0 HH11 ARG B 4 14.949 -12.596 -3.477 1.00 0.00 H new ATOM 0 HH12 ARG B 4 16.242 -11.629 -2.760 1.00 0.00 H new ATOM 0 HH21 ARG B 4 14.615 -11.081 0.228 1.00 0.00 H new ATOM 0 HH22 ARG B 4 16.061 -10.807 -0.750 1.00 0.00 H new ATOM 904 N GLU B 5 9.213 -12.866 -5.393 1.00 0.00 N ATOM 905 CA GLU B 5 9.187 -11.714 -6.310 1.00 0.00 C ATOM 906 C GLU B 5 7.794 -11.041 -6.391 1.00 0.00 C ATOM 907 O GLU B 5 7.694 -9.819 -6.508 1.00 0.00 O ATOM 908 CB GLU B 5 9.706 -12.175 -7.682 1.00 0.00 C ATOM 909 CG GLU B 5 9.994 -11.017 -8.644 1.00 0.00 C ATOM 910 CD GLU B 5 10.753 -11.513 -9.892 1.00 0.00 C ATOM 911 OE1 GLU B 5 10.121 -12.100 -10.803 1.00 0.00 O ATOM 912 OE2 GLU B 5 11.989 -11.304 -9.978 1.00 0.00 O ATOM 0 H GLU B 5 9.409 -13.752 -5.858 1.00 0.00 H new ATOM 0 HA GLU B 5 9.842 -10.934 -5.922 1.00 0.00 H new ATOM 0 HB2 GLU B 5 10.618 -12.756 -7.541 1.00 0.00 H new ATOM 0 HB3 GLU B 5 8.971 -12.840 -8.135 1.00 0.00 H new ATOM 0 HG2 GLU B 5 9.057 -10.548 -8.946 1.00 0.00 H new ATOM 0 HG3 GLU B 5 10.583 -10.254 -8.135 1.00 0.00 H new ATOM 919 N LEU B 6 6.725 -11.833 -6.262 1.00 0.00 N ATOM 920 CA LEU B 6 5.319 -11.421 -6.170 1.00 0.00 C ATOM 921 C LEU B 6 4.990 -10.741 -4.835 1.00 0.00 C ATOM 922 O LEU B 6 4.513 -9.604 -4.809 1.00 0.00 O ATOM 923 CB LEU B 6 4.452 -12.689 -6.356 1.00 0.00 C ATOM 924 CG LEU B 6 3.830 -12.803 -7.748 1.00 0.00 C ATOM 925 CD1 LEU B 6 4.807 -12.670 -8.919 1.00 0.00 C ATOM 926 CD2 LEU B 6 3.126 -14.153 -7.904 1.00 0.00 C ATOM 0 H LEU B 6 6.825 -12.847 -6.216 1.00 0.00 H new ATOM 0 HA LEU B 6 5.113 -10.682 -6.944 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.066 -13.570 -6.168 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.657 -12.689 -5.610 1.00 0.00 H new ATOM 0 HG LEU B 6 3.144 -11.958 -7.799 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.264 -12.766 -9.859 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.293 -11.695 -8.879 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.561 -13.454 -8.854 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.687 -14.222 -8.899 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.849 -14.958 -7.770 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.340 -14.242 -7.154 1.00 0.00 H new ATOM 938 N LEU B 7 5.263 -11.441 -3.732 1.00 0.00 N ATOM 939 CA LEU B 7 5.061 -10.975 -2.354 1.00 0.00 C ATOM 940 C LEU B 7 5.733 -9.607 -2.112 1.00 0.00 C ATOM 941 O LEU B 7 5.109 -8.686 -1.581 1.00 0.00 O ATOM 942 CB LEU B 7 5.647 -11.998 -1.356 1.00 0.00 C ATOM 943 CG LEU B 7 4.814 -13.274 -1.153 1.00 0.00 C ATOM 944 CD1 LEU B 7 5.625 -14.312 -0.380 1.00 0.00 C ATOM 945 CD2 LEU B 7 3.525 -13.004 -0.377 1.00 0.00 C ATOM 0 H LEU B 7 5.646 -12.385 -3.773 1.00 0.00 H new ATOM 0 HA LEU B 7 3.987 -10.870 -2.201 1.00 0.00 H new ATOM 0 HB2 LEU B 7 6.642 -12.284 -1.698 1.00 0.00 H new ATOM 0 HB3 LEU B 7 5.771 -11.508 -0.390 1.00 0.00 H new ATOM 0 HG LEU B 7 4.555 -13.642 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU B 7 5.026 -15.212 -0.241 1.00 0.00 H new ATOM 0 HD12 LEU B 7 6.527 -14.559 -0.939 1.00 0.00 H new ATOM 0 HD13 LEU B 7 5.901 -13.907 0.593 1.00 0.00 H new ATOM 0 HD21 LEU B 7 2.970 -13.935 -0.258 1.00 0.00 H new ATOM 0 HD22 LEU B 7 3.770 -12.600 0.605 1.00 0.00 H new ATOM 0 HD23 LEU B 7 2.915 -12.285 -0.924 1.00 0.00 H new ATOM 957 N LYS B 8 7.005 -9.473 -2.522 1.00 0.00 N ATOM 958 CA LYS B 8 7.863 -8.285 -2.340 1.00 0.00 C ATOM 959 C LYS B 8 7.543 -7.146 -3.316 1.00 0.00 C ATOM 960 O LYS B 8 8.403 -6.681 -4.068 1.00 0.00 O ATOM 961 CB LYS B 8 9.354 -8.691 -2.367 1.00 0.00 C ATOM 962 CG LYS B 8 9.774 -9.621 -1.215 1.00 0.00 C ATOM 963 CD LYS B 8 9.633 -8.962 0.166 1.00 0.00 C ATOM 964 CE LYS B 8 10.034 -9.943 1.270 1.00 0.00 C ATOM 965 NZ LYS B 8 9.739 -9.384 2.615 1.00 0.00 N ATOM 0 H LYS B 8 7.489 -10.225 -3.013 1.00 0.00 H new ATOM 0 HA LYS B 8 7.641 -7.874 -1.355 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.568 -9.185 -3.315 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.965 -7.789 -2.333 1.00 0.00 H new ATOM 0 HG2 LYS B 8 9.166 -10.525 -1.244 1.00 0.00 H new ATOM 0 HG3 LYS B 8 10.809 -9.928 -1.362 1.00 0.00 H new ATOM 0 HD2 LYS B 8 10.260 -8.072 0.217 1.00 0.00 H new ATOM 0 HD3 LYS B 8 8.604 -8.636 0.317 1.00 0.00 H new ATOM 0 HE2 LYS B 8 9.498 -10.883 1.138 1.00 0.00 H new ATOM 0 HE3 LYS B 8 11.098 -10.169 1.192 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 10.020 -10.069 3.345 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 10.270 -8.499 2.747 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 8.720 -9.192 2.695 1.00 0.00 H new ATOM 979 N GLY B 9 6.301 -6.666 -3.271 1.00 0.00 N ATOM 980 CA GLY B 9 5.933 -5.411 -3.918 1.00 0.00 C ATOM 981 C GLY B 9 4.497 -4.938 -3.794 1.00 0.00 C ATOM 982 O GLY B 9 4.219 -3.753 -3.952 1.00 0.00 O ATOM 0 H GLY B 9 5.531 -7.131 -2.791 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.578 -4.628 -3.518 1.00 0.00 H new ATOM 0 HA3 GLY B 9 6.163 -5.503 -4.979 1.00 0.00 H new ATOM 986 N GLU B 10 3.582 -5.830 -3.451 1.00 0.00 N ATOM 987 CA GLU B 10 2.172 -5.502 -3.225 1.00 0.00 C ATOM 988 C GLU B 10 1.993 -4.436 -2.103 1.00 0.00 C ATOM 989 O GLU B 10 1.159 -3.540 -2.229 1.00 0.00 O ATOM 990 CB GLU B 10 1.454 -6.850 -3.008 1.00 0.00 C ATOM 991 CG GLU B 10 1.332 -7.672 -4.309 1.00 0.00 C ATOM 992 CD GLU B 10 -0.105 -7.979 -4.737 1.00 0.00 C ATOM 993 OE1 GLU B 10 -1.102 -8.154 -4.015 1.00 0.00 O ATOM 994 OE2 GLU B 10 -0.541 -7.883 -5.893 1.00 0.00 O ATOM 0 H GLU B 10 3.795 -6.819 -3.318 1.00 0.00 H new ATOM 0 HA GLU B 10 1.711 -5.003 -4.078 1.00 0.00 H new ATOM 0 HB2 GLU B 10 1.998 -7.432 -2.264 1.00 0.00 H new ATOM 0 HB3 GLU B 10 0.459 -6.667 -2.603 1.00 0.00 H new ATOM 0 HG2 GLU B 10 1.829 -7.130 -5.114 1.00 0.00 H new ATOM 0 HG3 GLU B 10 1.868 -8.613 -4.180 1.00 0.00 H new ATOM 1001 N LEU B 11 2.868 -4.423 -1.085 1.00 0.00 N ATOM 1002 CA LEU B 11 3.022 -3.408 -0.030 1.00 0.00 C ATOM 1003 C LEU B 11 3.617 -2.061 -0.464 1.00 0.00 C ATOM 1004 O LEU B 11 3.346 -1.043 0.174 1.00 0.00 O ATOM 1005 CB LEU B 11 3.781 -4.120 1.096 1.00 0.00 C ATOM 1006 CG LEU B 11 5.298 -4.167 0.874 1.00 0.00 C ATOM 1007 CD1 LEU B 11 5.981 -3.071 1.689 1.00 0.00 C ATOM 1008 CD2 LEU B 11 5.862 -5.531 1.256 1.00 0.00 C ATOM 0 H LEU B 11 3.539 -5.182 -0.969 1.00 0.00 H new ATOM 0 HA LEU B 11 2.044 -3.060 0.303 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.575 -3.614 2.039 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.404 -5.138 1.191 1.00 0.00 H new ATOM 0 HG LEU B 11 5.494 -4.000 -0.185 1.00 0.00 H new ATOM 0 HD11 LEU B 11 7.058 -3.113 1.525 1.00 0.00 H new ATOM 0 HD12 LEU B 11 5.604 -2.097 1.377 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.770 -3.220 2.748 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.939 -5.539 1.090 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.656 -5.728 2.308 1.00 0.00 H new ATOM 0 HD23 LEU B 11 5.395 -6.302 0.644 1.00 0.00 H new ATOM 1020 N GLN B 12 4.342 -2.019 -1.582 1.00 0.00 N ATOM 1021 CA GLN B 12 4.728 -0.772 -2.237 1.00 0.00 C ATOM 1022 C GLN B 12 3.485 -0.048 -2.796 1.00 0.00 C ATOM 1023 O GLN B 12 3.443 1.183 -2.847 1.00 0.00 O ATOM 1024 CB GLN B 12 5.753 -1.060 -3.350 1.00 0.00 C ATOM 1025 CG GLN B 12 6.585 0.184 -3.707 1.00 0.00 C ATOM 1026 CD GLN B 12 6.923 0.241 -5.196 1.00 0.00 C ATOM 1027 OE1 GLN B 12 6.171 0.762 -6.010 1.00 0.00 O ATOM 1028 NE2 GLN B 12 8.050 -0.290 -5.622 1.00 0.00 N ATOM 0 H GLN B 12 4.679 -2.855 -2.060 1.00 0.00 H new ATOM 0 HA GLN B 12 5.194 -0.113 -1.504 1.00 0.00 H new ATOM 0 HB2 GLN B 12 6.419 -1.861 -3.030 1.00 0.00 H new ATOM 0 HB3 GLN B 12 5.232 -1.414 -4.239 1.00 0.00 H new ATOM 0 HG2 GLN B 12 6.034 1.081 -3.426 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.507 0.182 -3.126 1.00 0.00 H new ATOM 0 HE21 GLN B 12 8.690 -0.729 -4.959 1.00 0.00 H new ATOM 0 HE22 GLN B 12 8.283 -0.263 -6.615 1.00 0.00 H new ATOM 1037 N GLY B 13 2.445 -0.814 -3.153 1.00 0.00 N ATOM 1038 CA GLY B 13 1.154 -0.306 -3.612 1.00 0.00 C ATOM 1039 C GLY B 13 0.310 0.208 -2.451 1.00 0.00 C ATOM 1040 O GLY B 13 -0.158 1.342 -2.511 1.00 0.00 O ATOM 0 H GLY B 13 2.484 -1.833 -3.128 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.313 0.498 -4.331 1.00 0.00 H new ATOM 0 HA3 GLY B 13 0.615 -1.097 -4.133 1.00 0.00 H new ATOM 1044 N ILE B 14 0.194 -0.563 -1.357 1.00 0.00 N ATOM 1045 CA ILE B 14 -0.560 -0.181 -0.138 1.00 0.00 C ATOM 1046 C ILE B 14 -0.241 1.256 0.296 1.00 0.00 C ATOM 1047 O ILE B 14 -1.139 2.074 0.515 1.00 0.00 O ATOM 1048 CB ILE B 14 -0.251 -1.142 1.040 1.00 0.00 C ATOM 1049 CG1 ILE B 14 -0.598 -2.613 0.751 1.00 0.00 C ATOM 1050 CG2 ILE B 14 -0.936 -0.705 2.351 1.00 0.00 C ATOM 1051 CD1 ILE B 14 -2.090 -2.908 0.627 1.00 0.00 C ATOM 0 H ILE B 14 0.626 -1.484 -1.288 1.00 0.00 H new ATOM 0 HA ILE B 14 -1.618 -0.250 -0.393 1.00 0.00 H new ATOM 0 HB ILE B 14 0.830 -1.076 1.161 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -0.105 -2.913 -0.174 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.185 -3.232 1.547 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -0.688 -1.411 3.144 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -0.589 0.290 2.629 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -2.016 -0.685 2.208 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -2.235 -3.969 0.423 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -2.591 -2.645 1.558 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -2.510 -2.321 -0.190 1.00 0.00 H new ATOM 1063 N LYS B 15 1.059 1.567 0.388 1.00 0.00 N ATOM 1064 CA LYS B 15 1.562 2.845 0.897 1.00 0.00 C ATOM 1065 C LYS B 15 1.442 4.004 -0.101 1.00 0.00 C ATOM 1066 O LYS B 15 1.395 5.161 0.318 1.00 0.00 O ATOM 1067 CB LYS B 15 3.005 2.664 1.409 1.00 0.00 C ATOM 1068 CG LYS B 15 3.035 1.810 2.693 1.00 0.00 C ATOM 1069 CD LYS B 15 4.451 1.488 3.197 1.00 0.00 C ATOM 1070 CE LYS B 15 5.257 2.747 3.544 1.00 0.00 C ATOM 1071 NZ LYS B 15 6.566 2.406 4.160 1.00 0.00 N ATOM 0 H LYS B 15 1.800 0.926 0.106 1.00 0.00 H new ATOM 0 HA LYS B 15 0.920 3.138 1.728 1.00 0.00 H new ATOM 0 HB2 LYS B 15 3.611 2.188 0.638 1.00 0.00 H new ATOM 0 HB3 LYS B 15 3.449 3.640 1.607 1.00 0.00 H new ATOM 0 HG2 LYS B 15 2.491 2.335 3.479 1.00 0.00 H new ATOM 0 HG3 LYS B 15 2.505 0.876 2.508 1.00 0.00 H new ATOM 0 HD2 LYS B 15 4.382 0.851 4.079 1.00 0.00 H new ATOM 0 HD3 LYS B 15 4.983 0.920 2.434 1.00 0.00 H new ATOM 0 HE2 LYS B 15 5.421 3.335 2.641 1.00 0.00 H new ATOM 0 HE3 LYS B 15 4.683 3.370 4.230 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 7.084 3.280 4.381 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 6.408 1.866 5.035 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 7.124 1.832 3.495 1.00 0.00 H new ATOM 1085 N GLN B 16 1.331 3.715 -1.400 1.00 0.00 N ATOM 1086 CA GLN B 16 1.044 4.704 -2.442 1.00 0.00 C ATOM 1087 C GLN B 16 -0.451 5.006 -2.553 1.00 0.00 C ATOM 1088 O GLN B 16 -0.849 6.165 -2.670 1.00 0.00 O ATOM 1089 CB GLN B 16 1.572 4.186 -3.793 1.00 0.00 C ATOM 1090 CG GLN B 16 3.012 4.614 -4.120 1.00 0.00 C ATOM 1091 CD GLN B 16 3.120 6.074 -4.574 1.00 0.00 C ATOM 1092 OE1 GLN B 16 2.412 6.964 -4.122 1.00 0.00 O ATOM 1093 NE2 GLN B 16 4.000 6.400 -5.496 1.00 0.00 N ATOM 0 H GLN B 16 1.440 2.768 -1.764 1.00 0.00 H new ATOM 0 HA GLN B 16 1.545 5.633 -2.170 1.00 0.00 H new ATOM 0 HB2 GLN B 16 1.520 3.097 -3.796 1.00 0.00 H new ATOM 0 HB3 GLN B 16 0.912 4.538 -4.586 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.637 4.467 -3.239 1.00 0.00 H new ATOM 0 HG3 GLN B 16 3.408 3.967 -4.903 1.00 0.00 H new ATOM 0 HE21 GLN B 16 4.608 5.685 -5.896 1.00 0.00 H new ATOM 0 HE22 GLN B 16 4.075 7.367 -5.810 1.00 0.00 H new ATOM 1102 N TYR B 17 -1.296 3.980 -2.463 1.00 0.00 N ATOM 1103 CA TYR B 17 -2.742 4.126 -2.578 1.00 0.00 C ATOM 1104 C TYR B 17 -3.344 5.014 -1.493 1.00 0.00 C ATOM 1105 O TYR B 17 -4.249 5.806 -1.776 1.00 0.00 O ATOM 1106 CB TYR B 17 -3.395 2.746 -2.513 1.00 0.00 C ATOM 1107 CG TYR B 17 -3.299 1.931 -3.791 1.00 0.00 C ATOM 1108 CD1 TYR B 17 -3.681 2.498 -5.023 1.00 0.00 C ATOM 1109 CD2 TYR B 17 -2.836 0.600 -3.749 1.00 0.00 C ATOM 1110 CE1 TYR B 17 -3.550 1.759 -6.211 1.00 0.00 C ATOM 1111 CE2 TYR B 17 -2.705 -0.142 -4.937 1.00 0.00 C ATOM 1112 CZ TYR B 17 -3.055 0.440 -6.172 1.00 0.00 C ATOM 1113 OH TYR B 17 -2.996 -0.287 -7.316 1.00 0.00 O ATOM 0 H TYR B 17 -0.992 3.019 -2.307 1.00 0.00 H new ATOM 0 HA TYR B 17 -2.937 4.610 -3.535 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -2.934 2.180 -1.703 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -4.447 2.870 -2.257 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -4.075 3.503 -5.054 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -2.581 0.149 -2.802 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -3.829 2.202 -7.155 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.337 -1.157 -4.903 1.00 0.00 H new ATOM 0 HH TYR B 17 -3.043 -1.242 -7.100 1.00 0.00 H new ATOM 1123 N ARG B 18 -2.825 4.921 -0.262 1.00 0.00 N ATOM 1124 CA ARG B 18 -3.285 5.772 0.835 1.00 0.00 C ATOM 1125 C ARG B 18 -2.954 7.256 0.614 1.00 0.00 C ATOM 1126 O ARG B 18 -3.736 8.121 1.003 1.00 0.00 O ATOM 1127 CB ARG B 18 -2.734 5.239 2.157 1.00 0.00 C ATOM 1128 CG ARG B 18 -3.609 4.104 2.710 1.00 0.00 C ATOM 1129 CD ARG B 18 -3.054 3.549 4.026 1.00 0.00 C ATOM 1130 NE ARG B 18 -3.988 2.576 4.626 1.00 0.00 N ATOM 1131 CZ ARG B 18 -3.757 1.785 5.659 1.00 0.00 C ATOM 1132 NH1 ARG B 18 -2.615 1.775 6.287 1.00 0.00 N ATOM 1133 NH2 ARG B 18 -4.686 0.981 6.089 1.00 0.00 N ATOM 0 H ARG B 18 -2.088 4.265 -0.004 1.00 0.00 H new ATOM 0 HA ARG B 18 -4.374 5.729 0.870 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -1.716 4.878 2.010 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -2.683 6.049 2.885 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -4.623 4.471 2.869 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -3.672 3.302 1.975 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -2.091 3.071 3.846 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -2.878 4.367 4.724 1.00 0.00 H new ATOM 0 HE ARG B 18 -4.911 2.507 4.197 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -1.861 2.392 5.985 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -2.475 1.150 7.081 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -5.596 0.960 5.628 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -4.504 0.372 6.887 1.00 0.00 H new ATOM 1147 N GLU B 19 -1.839 7.551 -0.059 1.00 0.00 N ATOM 1148 CA GLU B 19 -1.440 8.914 -0.449 1.00 0.00 C ATOM 1149 C GLU B 19 -2.255 9.454 -1.642 1.00 0.00 C ATOM 1150 O GLU B 19 -2.543 10.647 -1.730 1.00 0.00 O ATOM 1151 CB GLU B 19 0.054 8.891 -0.813 1.00 0.00 C ATOM 1152 CG GLU B 19 0.725 10.272 -0.711 1.00 0.00 C ATOM 1153 CD GLU B 19 1.911 10.253 0.274 1.00 0.00 C ATOM 1154 OE1 GLU B 19 1.687 10.344 1.507 1.00 0.00 O ATOM 1155 OE2 GLU B 19 3.081 10.157 -0.174 1.00 0.00 O ATOM 0 H GLU B 19 -1.172 6.838 -0.356 1.00 0.00 H new ATOM 0 HA GLU B 19 -1.634 9.580 0.392 1.00 0.00 H new ATOM 0 HB2 GLU B 19 0.571 8.194 -0.154 1.00 0.00 H new ATOM 0 HB3 GLU B 19 0.168 8.513 -1.829 1.00 0.00 H new ATOM 0 HG2 GLU B 19 1.074 10.582 -1.696 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -0.008 11.010 -0.386 1.00 0.00 H new ATOM 1162 N ALA B 20 -2.646 8.571 -2.561 1.00 0.00 N ATOM 1163 CA ALA B 20 -3.442 8.895 -3.744 1.00 0.00 C ATOM 1164 C ALA B 20 -4.886 9.304 -3.407 1.00 0.00 C ATOM 1165 O ALA B 20 -5.328 10.352 -3.880 1.00 0.00 O ATOM 1166 CB ALA B 20 -3.397 7.704 -4.711 1.00 0.00 C ATOM 0 H ALA B 20 -2.410 7.580 -2.500 1.00 0.00 H new ATOM 0 HA ALA B 20 -3.004 9.772 -4.221 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -3.987 7.933 -5.598 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -2.365 7.511 -5.002 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -3.807 6.821 -4.220 1.00 0.00 H new ATOM 1172 N LEU B 21 -5.607 8.554 -2.555 1.00 0.00 N ATOM 1173 CA LEU B 21 -6.978 8.915 -2.146 1.00 0.00 C ATOM 1174 C LEU B 21 -7.050 10.272 -1.434 1.00 0.00 C ATOM 1175 O LEU B 21 -8.063 10.958 -1.537 1.00 0.00 O ATOM 1176 CB LEU B 21 -7.612 7.776 -1.330 1.00 0.00 C ATOM 1177 CG LEU B 21 -9.040 8.030 -0.798 1.00 0.00 C ATOM 1178 CD1 LEU B 21 -9.820 6.720 -0.714 1.00 0.00 C ATOM 1179 CD2 LEU B 21 -9.045 8.617 0.619 1.00 0.00 C ATOM 0 H LEU B 21 -5.262 7.691 -2.134 1.00 0.00 H new ATOM 0 HA LEU B 21 -7.571 9.042 -3.052 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -7.632 6.880 -1.951 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -6.963 7.561 -0.481 1.00 0.00 H new ATOM 0 HG LEU B 21 -9.492 8.734 -1.497 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -10.824 6.918 -0.337 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -9.886 6.272 -1.705 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -9.308 6.034 -0.039 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -10.073 8.776 0.943 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -8.552 7.925 1.301 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -8.513 9.568 0.621 1.00 0.00 H new ATOM 1191 N GLU B 22 -5.982 10.715 -0.769 1.00 0.00 N ATOM 1192 CA GLU B 22 -5.926 12.067 -0.199 1.00 0.00 C ATOM 1193 C GLU B 22 -6.047 13.189 -1.248 1.00 0.00 C ATOM 1194 O GLU B 22 -6.561 14.266 -0.939 1.00 0.00 O ATOM 1195 CB GLU B 22 -4.639 12.226 0.610 1.00 0.00 C ATOM 1196 CG GLU B 22 -4.792 11.658 2.028 1.00 0.00 C ATOM 1197 CD GLU B 22 -3.564 11.971 2.907 1.00 0.00 C ATOM 1198 OE1 GLU B 22 -2.452 11.468 2.617 1.00 0.00 O ATOM 1199 OE2 GLU B 22 -3.707 12.716 3.908 1.00 0.00 O ATOM 0 H GLU B 22 -5.142 10.159 -0.610 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.796 12.173 0.449 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -3.822 11.717 0.099 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -4.372 13.281 0.666 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -5.686 12.074 2.492 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -4.934 10.579 1.974 1.00 0.00 H new ATOM 1206 N TYR B 23 -5.634 12.925 -2.489 1.00 0.00 N ATOM 1207 CA TYR B 23 -5.898 13.773 -3.659 1.00 0.00 C ATOM 1208 C TYR B 23 -7.207 13.424 -4.397 1.00 0.00 C ATOM 1209 O TYR B 23 -8.028 14.313 -4.632 1.00 0.00 O ATOM 1210 CB TYR B 23 -4.701 13.695 -4.622 1.00 0.00 C ATOM 1211 CG TYR B 23 -3.552 14.603 -4.223 1.00 0.00 C ATOM 1212 CD1 TYR B 23 -2.699 14.251 -3.158 1.00 0.00 C ATOM 1213 CD2 TYR B 23 -3.363 15.824 -4.901 1.00 0.00 C ATOM 1214 CE1 TYR B 23 -1.669 15.126 -2.761 1.00 0.00 C ATOM 1215 CE2 TYR B 23 -2.329 16.697 -4.513 1.00 0.00 C ATOM 1216 CZ TYR B 23 -1.481 16.352 -3.436 1.00 0.00 C ATOM 1217 OH TYR B 23 -0.488 17.198 -3.045 1.00 0.00 O ATOM 0 H TYR B 23 -5.091 12.092 -2.717 1.00 0.00 H new ATOM 0 HA TYR B 23 -6.028 14.791 -3.292 1.00 0.00 H new ATOM 0 HB2 TYR B 23 -4.344 12.666 -4.665 1.00 0.00 H new ATOM 0 HB3 TYR B 23 -5.033 13.960 -5.626 1.00 0.00 H new ATOM 0 HD1 TYR B 23 -2.835 13.310 -2.646 1.00 0.00 H new ATOM 0 HD2 TYR B 23 -4.013 16.091 -5.721 1.00 0.00 H new ATOM 0 HE1 TYR B 23 -1.022 14.859 -1.939 1.00 0.00 H new ATOM 0 HE2 TYR B 23 -2.184 17.630 -5.038 1.00 0.00 H new ATOM 0 HH TYR B 23 -0.495 17.996 -3.614 1.00 0.00 H new ATOM 1227 N THR B 24 -7.433 12.158 -4.770 1.00 0.00 N ATOM 1228 CA THR B 24 -8.539 11.743 -5.668 1.00 0.00 C ATOM 1229 C THR B 24 -9.883 11.502 -4.971 1.00 0.00 C ATOM 1230 O THR B 24 -10.922 11.500 -5.632 1.00 0.00 O ATOM 1231 CB THR B 24 -8.171 10.463 -6.419 1.00 0.00 C ATOM 1232 OG1 THR B 24 -7.808 9.483 -5.466 1.00 0.00 O ATOM 1233 CG2 THR B 24 -7.010 10.655 -7.395 1.00 0.00 C ATOM 0 H THR B 24 -6.853 11.379 -4.459 1.00 0.00 H new ATOM 0 HA THR B 24 -8.669 12.590 -6.342 1.00 0.00 H new ATOM 0 HB THR B 24 -9.038 10.161 -7.007 1.00 0.00 H new ATOM 0 HG1 THR B 24 -7.040 8.972 -5.798 1.00 0.00 H new ATOM 0 HG21 THR B 24 -6.797 9.711 -7.897 1.00 0.00 H new ATOM 0 HG22 THR B 24 -7.279 11.408 -8.136 1.00 0.00 H new ATOM 0 HG23 THR B 24 -6.126 10.983 -6.849 1.00 0.00 H new ATOM 1241 N HIS B 25 -9.884 11.328 -3.644 1.00 0.00 N ATOM 1242 CA HIS B 25 -11.051 11.192 -2.751 1.00 0.00 C ATOM 1243 C HIS B 25 -12.151 10.178 -3.191 1.00 0.00 C ATOM 1244 O HIS B 25 -13.331 10.383 -2.897 1.00 0.00 O ATOM 1245 CB HIS B 25 -11.566 12.600 -2.380 1.00 0.00 C ATOM 1246 CG HIS B 25 -10.868 13.122 -1.151 1.00 0.00 C ATOM 1247 ND1 HIS B 25 -11.250 12.883 0.160 1.00 0.00 N ATOM 1248 CD2 HIS B 25 -9.683 13.803 -1.119 1.00 0.00 C ATOM 1249 CE1 HIS B 25 -10.315 13.416 0.973 1.00 0.00 C ATOM 1250 NE2 HIS B 25 -9.357 13.987 0.212 1.00 0.00 N ATOM 0 H HIS B 25 -9.008 11.274 -3.124 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.703 10.697 -1.844 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -11.402 13.283 -3.214 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -12.641 12.564 -2.205 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -9.110 14.135 -1.972 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -10.330 13.390 2.053 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -8.531 14.473 0.561 1.00 0.00 H new ATOM 1259 N ASN B 26 -11.800 9.079 -3.878 1.00 0.00 N ATOM 1260 CA ASN B 26 -12.758 8.130 -4.489 1.00 0.00 C ATOM 1261 C ASN B 26 -12.760 6.732 -3.821 1.00 0.00 C ATOM 1262 O ASN B 26 -11.693 6.223 -3.470 1.00 0.00 O ATOM 1263 CB ASN B 26 -12.482 8.054 -6.011 1.00 0.00 C ATOM 1264 CG ASN B 26 -13.516 8.809 -6.840 1.00 0.00 C ATOM 1265 OD1 ASN B 26 -13.966 9.894 -6.502 1.00 0.00 O ATOM 1266 ND2 ASN B 26 -13.958 8.246 -7.943 1.00 0.00 N ATOM 0 H ASN B 26 -10.826 8.816 -4.030 1.00 0.00 H new ATOM 0 HA ASN B 26 -13.766 8.509 -4.319 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -11.492 8.461 -6.216 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -12.468 7.009 -6.321 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -14.668 8.715 -8.506 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -13.591 7.341 -8.236 1.00 0.00 H new ATOM 1273 N PRO B 27 -13.927 6.054 -3.710 1.00 0.00 N ATOM 1274 CA PRO B 27 -14.057 4.746 -3.045 1.00 0.00 C ATOM 1275 C PRO B 27 -13.365 3.608 -3.811 1.00 0.00 C ATOM 1276 O PRO B 27 -13.086 2.542 -3.263 1.00 0.00 O ATOM 1277 CB PRO B 27 -15.567 4.493 -2.946 1.00 0.00 C ATOM 1278 CG PRO B 27 -16.130 5.238 -4.155 1.00 0.00 C ATOM 1279 CD PRO B 27 -15.225 6.465 -4.246 1.00 0.00 C ATOM 0 HA PRO B 27 -13.567 4.765 -2.071 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -15.800 3.429 -2.986 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -15.978 4.875 -2.011 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -16.084 4.633 -5.061 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -17.174 5.515 -4.009 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -15.131 6.804 -5.278 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.637 7.296 -3.674 1.00 0.00 H new ATOM 1287 N VAL B 28 -13.067 3.837 -5.088 1.00 0.00 N ATOM 1288 CA VAL B 28 -12.380 2.878 -5.957 1.00 0.00 C ATOM 1289 C VAL B 28 -10.952 2.597 -5.489 1.00 0.00 C ATOM 1290 O VAL B 28 -10.568 1.434 -5.409 1.00 0.00 O ATOM 1291 CB VAL B 28 -12.437 3.358 -7.415 1.00 0.00 C ATOM 1292 CG1 VAL B 28 -11.967 2.255 -8.349 1.00 0.00 C ATOM 1293 CG2 VAL B 28 -13.853 3.750 -7.869 1.00 0.00 C ATOM 0 H VAL B 28 -13.300 4.711 -5.559 1.00 0.00 H new ATOM 0 HA VAL B 28 -12.902 1.923 -5.896 1.00 0.00 H new ATOM 0 HB VAL B 28 -11.793 4.236 -7.459 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -12.012 2.607 -9.380 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.941 1.983 -8.103 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -12.611 1.383 -8.235 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -13.824 4.080 -8.907 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -14.515 2.889 -7.780 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -14.225 4.560 -7.241 1.00 0.00 H new ATOM 1303 N LEU B 29 -10.182 3.607 -5.067 1.00 0.00 N ATOM 1304 CA LEU B 29 -8.849 3.390 -4.504 1.00 0.00 C ATOM 1305 C LEU B 29 -8.910 2.590 -3.199 1.00 0.00 C ATOM 1306 O LEU B 29 -8.048 1.745 -2.961 1.00 0.00 O ATOM 1307 CB LEU B 29 -8.141 4.726 -4.258 1.00 0.00 C ATOM 1308 CG LEU B 29 -7.959 5.600 -5.506 1.00 0.00 C ATOM 1309 CD1 LEU B 29 -9.077 6.643 -5.591 1.00 0.00 C ATOM 1310 CD2 LEU B 29 -6.618 6.327 -5.471 1.00 0.00 C ATOM 0 H LEU B 29 -10.463 4.587 -5.106 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.282 2.811 -5.233 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -8.708 5.290 -3.517 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -7.160 4.527 -3.826 1.00 0.00 H new ATOM 0 HG LEU B 29 -7.993 4.945 -6.376 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -8.936 7.256 -6.481 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -10.042 6.139 -5.647 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -9.051 7.278 -4.705 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -6.513 6.940 -6.366 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -6.572 6.964 -4.588 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.809 5.597 -5.434 1.00 0.00 H new ATOM 1322 N ALA B 30 -9.955 2.808 -2.389 1.00 0.00 N ATOM 1323 CA ALA B 30 -10.210 2.004 -1.199 1.00 0.00 C ATOM 1324 C ALA B 30 -10.420 0.526 -1.565 1.00 0.00 C ATOM 1325 O ALA B 30 -9.737 -0.317 -1.000 1.00 0.00 O ATOM 1326 CB ALA B 30 -11.376 2.594 -0.395 1.00 0.00 C ATOM 0 H ALA B 30 -10.642 3.546 -2.545 1.00 0.00 H new ATOM 0 HA ALA B 30 -9.332 2.035 -0.554 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -11.554 1.983 0.490 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -11.130 3.611 -0.090 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -12.274 2.608 -1.013 1.00 0.00 H new ATOM 1332 N LYS B 31 -11.255 0.186 -2.560 1.00 0.00 N ATOM 1333 CA LYS B 31 -11.392 -1.196 -3.074 1.00 0.00 C ATOM 1334 C LYS B 31 -10.092 -1.790 -3.608 1.00 0.00 C ATOM 1335 O LYS B 31 -9.844 -2.967 -3.359 1.00 0.00 O ATOM 1336 CB LYS B 31 -12.480 -1.252 -4.168 1.00 0.00 C ATOM 1337 CG LYS B 31 -13.895 -1.433 -3.601 1.00 0.00 C ATOM 1338 CD LYS B 31 -14.381 -2.893 -3.507 1.00 0.00 C ATOM 1339 CE LYS B 31 -13.535 -3.846 -2.642 1.00 0.00 C ATOM 1340 NZ LYS B 31 -12.432 -4.495 -3.402 1.00 0.00 N ATOM 0 H LYS B 31 -11.857 0.859 -3.035 1.00 0.00 H new ATOM 0 HA LYS B 31 -11.680 -1.807 -2.218 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -12.445 -0.334 -4.754 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -12.260 -2.074 -4.849 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -13.930 -0.990 -2.606 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -14.593 -0.874 -4.224 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -15.398 -2.889 -3.115 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -14.430 -3.302 -4.516 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -13.114 -3.290 -1.804 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -14.181 -4.616 -2.221 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -12.107 -5.340 -2.889 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -12.776 -4.772 -4.344 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -11.641 -3.827 -3.505 1.00 0.00 H new ATOM 1354 N ILE B 32 -9.279 -1.004 -4.305 1.00 0.00 N ATOM 1355 CA ILE B 32 -7.984 -1.444 -4.859 1.00 0.00 C ATOM 1356 C ILE B 32 -7.035 -1.814 -3.725 1.00 0.00 C ATOM 1357 O ILE B 32 -6.623 -2.970 -3.624 1.00 0.00 O ATOM 1358 CB ILE B 32 -7.396 -0.394 -5.818 1.00 0.00 C ATOM 1359 CG1 ILE B 32 -8.290 -0.197 -7.062 1.00 0.00 C ATOM 1360 CG2 ILE B 32 -6.014 -0.840 -6.306 1.00 0.00 C ATOM 1361 CD1 ILE B 32 -7.897 1.050 -7.862 1.00 0.00 C ATOM 0 H ILE B 32 -9.495 -0.028 -4.509 1.00 0.00 H new ATOM 0 HA ILE B 32 -8.138 -2.339 -5.461 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.331 0.542 -5.264 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -8.218 -1.076 -7.703 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.331 -0.114 -6.750 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.608 -0.089 -6.984 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.347 -0.957 -5.452 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -6.103 -1.792 -6.830 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -8.552 1.148 -8.727 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -7.995 1.933 -7.231 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -6.864 0.956 -8.198 1.00 0.00 H new ATOM 1373 N LEU B 33 -6.733 -0.864 -2.837 1.00 0.00 N ATOM 1374 CA LEU B 33 -5.809 -1.098 -1.731 1.00 0.00 C ATOM 1375 C LEU B 33 -6.356 -2.084 -0.701 1.00 0.00 C ATOM 1376 O LEU B 33 -5.580 -2.816 -0.089 1.00 0.00 O ATOM 1377 CB LEU B 33 -5.346 0.242 -1.144 1.00 0.00 C ATOM 1378 CG LEU B 33 -6.243 0.888 -0.074 1.00 0.00 C ATOM 1379 CD1 LEU B 33 -5.884 0.416 1.340 1.00 0.00 C ATOM 1380 CD2 LEU B 33 -6.087 2.407 -0.087 1.00 0.00 C ATOM 0 H LEU B 33 -7.119 0.080 -2.865 1.00 0.00 H new ATOM 0 HA LEU B 33 -4.921 -1.598 -2.117 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -4.356 0.098 -0.712 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -5.236 0.950 -1.965 1.00 0.00 H new ATOM 0 HG LEU B 33 -7.264 0.592 -0.316 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -6.543 0.898 2.063 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -6.004 -0.665 1.404 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -4.850 0.680 1.560 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.729 2.845 0.677 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -5.049 2.668 0.119 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -6.371 2.794 -1.066 1.00 0.00 H new ATOM 1392 N GLU B 34 -7.682 -2.149 -0.544 1.00 0.00 N ATOM 1393 CA GLU B 34 -8.320 -3.144 0.319 1.00 0.00 C ATOM 1394 C GLU B 34 -8.002 -4.552 -0.180 1.00 0.00 C ATOM 1395 O GLU B 34 -7.690 -5.429 0.629 1.00 0.00 O ATOM 1396 CB GLU B 34 -9.838 -2.923 0.434 1.00 0.00 C ATOM 1397 CG GLU B 34 -10.539 -3.959 1.321 1.00 0.00 C ATOM 1398 CD GLU B 34 -12.024 -3.596 1.517 1.00 0.00 C ATOM 1399 OE1 GLU B 34 -12.848 -3.908 0.624 1.00 0.00 O ATOM 1400 OE2 GLU B 34 -12.377 -3.009 2.569 1.00 0.00 O ATOM 0 H GLU B 34 -8.337 -1.519 -1.007 1.00 0.00 H new ATOM 0 HA GLU B 34 -7.911 -3.027 1.323 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -10.023 -1.927 0.836 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -10.278 -2.952 -0.563 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -10.458 -4.947 0.868 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -10.042 -4.011 2.290 1.00 0.00 H new ATOM 1407 N ASP B 35 -8.013 -4.773 -1.502 1.00 0.00 N ATOM 1408 CA ASP B 35 -7.652 -6.080 -2.020 1.00 0.00 C ATOM 1409 C ASP B 35 -6.161 -6.397 -1.916 1.00 0.00 C ATOM 1410 O ASP B 35 -5.810 -7.489 -1.475 1.00 0.00 O ATOM 1411 CB ASP B 35 -8.125 -6.279 -3.454 1.00 0.00 C ATOM 1412 CG ASP B 35 -9.614 -6.044 -3.726 1.00 0.00 C ATOM 1413 OD1 ASP B 35 -10.462 -6.327 -2.842 1.00 0.00 O ATOM 1414 OD2 ASP B 35 -9.934 -5.595 -4.854 1.00 0.00 O ATOM 0 H ASP B 35 -8.262 -4.079 -2.207 1.00 0.00 H new ATOM 0 HA ASP B 35 -8.174 -6.785 -1.373 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -7.552 -5.611 -4.097 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -7.881 -7.298 -3.755 1.00 0.00 H new ATOM 1419 N GLU B 36 -5.260 -5.461 -2.227 1.00 0.00 N ATOM 1420 CA GLU B 36 -3.828 -5.698 -2.012 1.00 0.00 C ATOM 1421 C GLU B 36 -3.484 -6.031 -0.550 1.00 0.00 C ATOM 1422 O GLU B 36 -2.503 -6.729 -0.290 1.00 0.00 O ATOM 1423 CB GLU B 36 -3.021 -4.471 -2.446 1.00 0.00 C ATOM 1424 CG GLU B 36 -3.281 -3.952 -3.859 1.00 0.00 C ATOM 1425 CD GLU B 36 -3.066 -4.968 -4.979 1.00 0.00 C ATOM 1426 OE1 GLU B 36 -2.559 -6.096 -4.787 1.00 0.00 O ATOM 1427 OE2 GLU B 36 -3.442 -4.692 -6.137 1.00 0.00 O ATOM 0 H GLU B 36 -5.489 -4.549 -2.621 1.00 0.00 H new ATOM 0 HA GLU B 36 -3.566 -6.566 -2.617 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -3.223 -3.663 -1.743 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -1.961 -4.711 -2.360 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -4.308 -3.590 -3.912 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -2.631 -3.095 -4.039 1.00 0.00 H new ATOM 1434 N GLU B 37 -4.291 -5.565 0.408 1.00 0.00 N ATOM 1435 CA GLU B 37 -4.035 -5.759 1.843 1.00 0.00 C ATOM 1436 C GLU B 37 -4.272 -7.219 2.264 1.00 0.00 C ATOM 1437 O GLU B 37 -3.578 -7.743 3.140 1.00 0.00 O ATOM 1438 CB GLU B 37 -4.910 -4.794 2.660 1.00 0.00 C ATOM 1439 CG GLU B 37 -4.458 -4.682 4.120 1.00 0.00 C ATOM 1440 CD GLU B 37 -5.294 -3.635 4.883 1.00 0.00 C ATOM 1441 OE1 GLU B 37 -6.441 -3.946 5.288 1.00 0.00 O ATOM 1442 OE2 GLU B 37 -4.802 -2.503 5.107 1.00 0.00 O ATOM 0 H GLU B 37 -5.144 -5.041 0.212 1.00 0.00 H new ATOM 0 HA GLU B 37 -2.987 -5.537 2.043 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -4.884 -3.807 2.199 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -5.945 -5.133 2.629 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -4.552 -5.652 4.608 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -3.404 -4.407 4.157 1.00 0.00 H new ATOM 1449 N LYS B 38 -5.212 -7.891 1.587 1.00 0.00 N ATOM 1450 CA LYS B 38 -5.514 -9.319 1.753 1.00 0.00 C ATOM 1451 C LYS B 38 -4.729 -10.215 0.799 1.00 0.00 C ATOM 1452 O LYS B 38 -4.376 -11.319 1.195 1.00 0.00 O ATOM 1453 CB LYS B 38 -7.040 -9.534 1.699 1.00 0.00 C ATOM 1454 CG LYS B 38 -7.737 -9.157 0.390 1.00 0.00 C ATOM 1455 CD LYS B 38 -9.256 -9.313 0.529 1.00 0.00 C ATOM 1456 CE LYS B 38 -9.950 -8.965 -0.792 1.00 0.00 C ATOM 1457 NZ LYS B 38 -11.425 -9.105 -0.692 1.00 0.00 N ATOM 0 H LYS B 38 -5.802 -7.442 0.887 1.00 0.00 H new ATOM 0 HA LYS B 38 -5.170 -9.632 2.739 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -7.244 -10.585 1.904 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -7.494 -8.958 2.505 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -7.494 -8.128 0.124 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -7.373 -9.790 -0.419 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -9.498 -10.336 0.816 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -9.624 -8.663 1.323 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -9.700 -7.943 -1.076 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -9.576 -9.616 -1.582 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -11.860 -8.861 -1.605 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -11.665 -10.087 -0.446 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -11.785 -8.465 0.045 1.00 0.00 H new ATOM 1471 N HIS B 39 -4.354 -9.741 -0.392 1.00 0.00 N ATOM 1472 CA HIS B 39 -3.587 -10.474 -1.393 1.00 0.00 C ATOM 1473 C HIS B 39 -2.250 -11.043 -0.894 1.00 0.00 C ATOM 1474 O HIS B 39 -1.966 -12.213 -1.141 1.00 0.00 O ATOM 1475 CB HIS B 39 -3.305 -9.509 -2.529 1.00 0.00 C ATOM 1476 CG HIS B 39 -4.387 -9.248 -3.530 1.00 0.00 C ATOM 1477 ND1 HIS B 39 -4.170 -8.486 -4.677 1.00 0.00 N ATOM 1478 CD2 HIS B 39 -5.687 -9.658 -3.488 1.00 0.00 C ATOM 1479 CE1 HIS B 39 -5.372 -8.444 -5.293 1.00 0.00 C ATOM 1480 NE2 HIS B 39 -6.291 -9.154 -4.615 1.00 0.00 N ATOM 0 H HIS B 39 -4.588 -8.795 -0.694 1.00 0.00 H new ATOM 0 HA HIS B 39 -4.183 -11.338 -1.688 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -3.023 -8.553 -2.089 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -2.435 -9.880 -3.071 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -6.150 -10.260 -2.720 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -5.569 -7.910 -6.211 1.00 0.00 H new ATOM 0 HE2 HIS B 39 -7.264 -9.294 -4.889 1.00 0.00 H new ATOM 1488 N ILE B 40 -1.419 -10.249 -0.210 1.00 0.00 N ATOM 1489 CA ILE B 40 -0.079 -10.692 0.217 1.00 0.00 C ATOM 1490 C ILE B 40 -0.179 -11.912 1.136 1.00 0.00 C ATOM 1491 O ILE B 40 0.525 -12.900 0.940 1.00 0.00 O ATOM 1492 CB ILE B 40 0.683 -9.548 0.926 1.00 0.00 C ATOM 1493 CG1 ILE B 40 0.772 -8.269 0.067 1.00 0.00 C ATOM 1494 CG2 ILE B 40 2.123 -9.973 1.280 1.00 0.00 C ATOM 1495 CD1 ILE B 40 0.645 -6.985 0.894 1.00 0.00 C ATOM 0 H ILE B 40 -1.648 -9.293 0.062 1.00 0.00 H new ATOM 0 HA ILE B 40 0.480 -10.974 -0.675 1.00 0.00 H new ATOM 0 HB ILE B 40 0.110 -9.334 1.828 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.723 -8.260 -0.465 1.00 0.00 H new ATOM 0 HG13 ILE B 40 -0.015 -8.289 -0.687 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.634 -9.148 1.777 1.00 0.00 H new ATOM 0 HG22 ILE B 40 2.095 -10.836 1.945 1.00 0.00 H new ATOM 0 HG23 ILE B 40 2.660 -10.235 0.368 1.00 0.00 H new ATOM 0 HD11 ILE B 40 0.715 -6.119 0.235 1.00 0.00 H new ATOM 0 HD12 ILE B 40 -0.318 -6.975 1.405 1.00 0.00 H new ATOM 0 HD13 ILE B 40 1.447 -6.946 1.631 1.00 0.00 H new ATOM 1507 N GLU B 41 -1.095 -11.876 2.107 1.00 0.00 N ATOM 1508 CA GLU B 41 -1.363 -13.025 2.972 1.00 0.00 C ATOM 1509 C GLU B 41 -2.174 -14.121 2.273 1.00 0.00 C ATOM 1510 O GLU B 41 -1.929 -15.297 2.535 1.00 0.00 O ATOM 1511 CB GLU B 41 -2.006 -12.576 4.292 1.00 0.00 C ATOM 1512 CG GLU B 41 -0.946 -11.934 5.201 1.00 0.00 C ATOM 1513 CD GLU B 41 -1.533 -11.520 6.564 1.00 0.00 C ATOM 1514 OE1 GLU B 41 -1.721 -12.399 7.442 1.00 0.00 O ATOM 1515 OE2 GLU B 41 -1.790 -10.311 6.780 1.00 0.00 O ATOM 0 H GLU B 41 -1.667 -11.057 2.314 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.401 -13.481 3.208 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -2.806 -11.863 4.092 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -2.459 -13.431 4.795 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -0.127 -12.637 5.357 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -0.525 -11.059 4.706 1.00 0.00 H new ATOM 1522 N TRP B 42 -3.055 -13.789 1.326 1.00 0.00 N ATOM 1523 CA TRP B 42 -3.696 -14.773 0.442 1.00 0.00 C ATOM 1524 C TRP B 42 -2.686 -15.688 -0.264 1.00 0.00 C ATOM 1525 O TRP B 42 -2.841 -16.906 -0.180 1.00 0.00 O ATOM 1526 CB TRP B 42 -4.628 -14.063 -0.556 1.00 0.00 C ATOM 1527 CG TRP B 42 -6.015 -13.760 -0.094 1.00 0.00 C ATOM 1528 CD1 TRP B 42 -6.518 -13.990 1.139 1.00 0.00 C ATOM 1529 CD2 TRP B 42 -7.101 -13.174 -0.874 1.00 0.00 C ATOM 1530 NE1 TRP B 42 -7.848 -13.612 1.166 1.00 0.00 N ATOM 1531 CE2 TRP B 42 -8.271 -13.138 -0.061 1.00 0.00 C ATOM 1532 CE3 TRP B 42 -7.212 -12.676 -2.191 1.00 0.00 C ATOM 1533 CZ2 TRP B 42 -9.506 -12.688 -0.556 1.00 0.00 C ATOM 1534 CZ3 TRP B 42 -8.433 -12.178 -2.684 1.00 0.00 C ATOM 1535 CH2 TRP B 42 -9.585 -12.208 -1.877 1.00 0.00 C ATOM 0 H TRP B 42 -3.347 -12.828 1.148 1.00 0.00 H new ATOM 0 HA TRP B 42 -4.298 -15.432 1.067 1.00 0.00 H new ATOM 0 HB2 TRP B 42 -4.157 -13.125 -0.850 1.00 0.00 H new ATOM 0 HB3 TRP B 42 -4.697 -14.680 -1.452 1.00 0.00 H new ATOM 0 HD1 TRP B 42 -5.968 -14.404 1.972 1.00 0.00 H new ATOM 0 HE1 TRP B 42 -8.444 -13.675 1.991 1.00 0.00 H new ATOM 0 HE3 TRP B 42 -6.343 -12.677 -2.832 1.00 0.00 H new ATOM 0 HZ2 TRP B 42 -10.386 -12.710 0.070 1.00 0.00 H new ATOM 0 HZ3 TRP B 42 -8.485 -11.772 -3.683 1.00 0.00 H new ATOM 0 HH2 TRP B 42 -10.530 -11.863 -2.271 1.00 0.00 H new ATOM 1546 N LEU B 43 -1.611 -15.160 -0.870 1.00 0.00 N ATOM 1547 CA LEU B 43 -0.593 -15.999 -1.531 1.00 0.00 C ATOM 1548 C LEU B 43 0.542 -16.502 -0.616 1.00 0.00 C ATOM 1549 O LEU B 43 1.555 -16.998 -1.106 1.00 0.00 O ATOM 1550 CB LEU B 43 -0.122 -15.381 -2.853 1.00 0.00 C ATOM 1551 CG LEU B 43 0.735 -14.120 -2.687 1.00 0.00 C ATOM 1552 CD1 LEU B 43 2.122 -14.354 -3.274 1.00 0.00 C ATOM 1553 CD2 LEU B 43 0.145 -12.923 -3.427 1.00 0.00 C ATOM 0 H LEU B 43 -1.422 -14.159 -0.917 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.101 -16.928 -1.789 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.451 -16.126 -3.406 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.995 -15.136 -3.458 1.00 0.00 H new ATOM 0 HG LEU B 43 0.774 -13.911 -1.618 1.00 0.00 H new ATOM 0 HD11 LEU B 43 2.725 -13.454 -3.153 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.601 -15.185 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.033 -14.591 -4.334 1.00 0.00 H new ATOM 0 HD21 LEU B 43 0.785 -12.053 -3.281 1.00 0.00 H new ATOM 0 HD22 LEU B 43 0.078 -13.150 -4.491 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -0.851 -12.710 -3.038 1.00 0.00 H new ATOM 1565 N GLU B 44 0.366 -16.436 0.708 1.00 0.00 N ATOM 1566 CA GLU B 44 1.324 -16.962 1.697 1.00 0.00 C ATOM 1567 C GLU B 44 0.662 -17.919 2.709 1.00 0.00 C ATOM 1568 O GLU B 44 1.296 -18.880 3.146 1.00 0.00 O ATOM 1569 CB GLU B 44 2.050 -15.788 2.386 1.00 0.00 C ATOM 1570 CG GLU B 44 3.561 -16.002 2.558 1.00 0.00 C ATOM 1571 CD GLU B 44 3.927 -17.017 3.658 1.00 0.00 C ATOM 1572 OE1 GLU B 44 3.639 -16.755 4.852 1.00 0.00 O ATOM 1573 OE2 GLU B 44 4.559 -18.056 3.344 1.00 0.00 O ATOM 0 H GLU B 44 -0.457 -16.010 1.133 1.00 0.00 H new ATOM 0 HA GLU B 44 2.064 -17.566 1.172 1.00 0.00 H new ATOM 0 HB2 GLU B 44 1.886 -14.881 1.804 1.00 0.00 H new ATOM 0 HB3 GLU B 44 1.603 -15.623 3.366 1.00 0.00 H new ATOM 0 HG2 GLU B 44 3.980 -16.341 1.611 1.00 0.00 H new ATOM 0 HG3 GLU B 44 4.029 -15.045 2.790 1.00 0.00 H new ATOM 1580 N THR B 45 -0.636 -17.749 3.005 1.00 0.00 N ATOM 1581 CA THR B 45 -1.424 -18.662 3.860 1.00 0.00 C ATOM 1582 C THR B 45 -1.492 -20.087 3.283 1.00 0.00 C ATOM 1583 O THR B 45 -1.520 -21.064 4.034 1.00 0.00 O ATOM 1584 CB THR B 45 -2.841 -18.088 4.079 1.00 0.00 C ATOM 1585 OG1 THR B 45 -2.757 -16.820 4.697 1.00 0.00 O ATOM 1586 CG2 THR B 45 -3.723 -18.932 4.999 1.00 0.00 C ATOM 0 H THR B 45 -1.180 -16.961 2.653 1.00 0.00 H new ATOM 0 HA THR B 45 -0.916 -18.737 4.822 1.00 0.00 H new ATOM 0 HB THR B 45 -3.285 -18.059 3.084 1.00 0.00 H new ATOM 0 HG1 THR B 45 -2.481 -16.151 4.036 1.00 0.00 H new ATOM 0 HG21 THR B 45 -4.700 -18.460 5.100 1.00 0.00 H new ATOM 0 HG22 THR B 45 -3.844 -19.928 4.574 1.00 0.00 H new ATOM 0 HG23 THR B 45 -3.255 -19.011 5.980 1.00 0.00 H new ATOM 1594 N ILE B 46 -1.465 -20.222 1.950 1.00 0.00 N ATOM 1595 CA ILE B 46 -1.462 -21.508 1.226 1.00 0.00 C ATOM 1596 C ILE B 46 -0.162 -22.304 1.442 1.00 0.00 C ATOM 1597 O ILE B 46 -0.192 -23.530 1.570 1.00 0.00 O ATOM 1598 CB ILE B 46 -1.643 -21.253 -0.292 1.00 0.00 C ATOM 1599 CG1 ILE B 46 -2.852 -20.366 -0.644 1.00 0.00 C ATOM 1600 CG2 ILE B 46 -1.725 -22.560 -1.098 1.00 0.00 C ATOM 1601 CD1 ILE B 46 -4.234 -20.907 -0.255 1.00 0.00 C ATOM 0 H ILE B 46 -1.444 -19.417 1.324 1.00 0.00 H new ATOM 0 HA ILE B 46 -2.288 -22.099 1.623 1.00 0.00 H new ATOM 0 HB ILE B 46 -0.743 -20.706 -0.575 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -2.717 -19.398 -0.162 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -2.845 -20.190 -1.720 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -1.852 -22.328 -2.155 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -0.807 -23.131 -0.959 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -2.574 -23.149 -0.751 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -5.002 -20.194 -0.555 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -4.407 -21.859 -0.758 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -4.277 -21.054 0.824 1.00 0.00 H new ATOM 1613 N LEU B 47 0.985 -21.615 1.438 1.00 0.00 N ATOM 1614 CA LEU B 47 2.308 -22.226 1.238 1.00 0.00 C ATOM 1615 C LEU B 47 2.806 -23.046 2.443 1.00 0.00 C ATOM 1616 O LEU B 47 3.543 -24.018 2.261 1.00 0.00 O ATOM 1617 CB LEU B 47 3.327 -21.121 0.896 1.00 0.00 C ATOM 1618 CG LEU B 47 3.004 -20.276 -0.352 1.00 0.00 C ATOM 1619 CD1 LEU B 47 4.079 -19.205 -0.528 1.00 0.00 C ATOM 1620 CD2 LEU B 47 2.935 -21.115 -1.631 1.00 0.00 C ATOM 0 H LEU B 47 1.023 -20.605 1.575 1.00 0.00 H new ATOM 0 HA LEU B 47 2.208 -22.934 0.416 1.00 0.00 H new ATOM 0 HB2 LEU B 47 3.411 -20.452 1.753 1.00 0.00 H new ATOM 0 HB3 LEU B 47 4.304 -21.584 0.756 1.00 0.00 H new ATOM 0 HG LEU B 47 2.023 -19.829 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU B 47 3.854 -18.605 -1.410 1.00 0.00 H new ATOM 0 HD12 LEU B 47 4.100 -18.562 0.352 1.00 0.00 H new ATOM 0 HD13 LEU B 47 5.051 -19.682 -0.652 1.00 0.00 H new ATOM 0 HD21 LEU B 47 2.705 -20.469 -2.478 1.00 0.00 H new ATOM 0 HD22 LEU B 47 3.895 -21.604 -1.798 1.00 0.00 H new ATOM 0 HD23 LEU B 47 2.156 -21.871 -1.529 1.00 0.00 H new ATOM 1632 N GLY B 48 2.407 -22.661 3.660 1.00 0.00 N ATOM 1633 CA GLY B 48 2.735 -23.353 4.917 1.00 0.00 C ATOM 1634 C GLY B 48 3.126 -22.419 6.072 1.00 0.00 C ATOM 1635 O GLY B 48 3.070 -22.809 7.238 1.00 0.00 O ATOM 0 H GLY B 48 1.829 -21.833 3.805 1.00 0.00 H new ATOM 0 HA2 GLY B 48 1.876 -23.950 5.224 1.00 0.00 H new ATOM 0 HA3 GLY B 48 3.556 -24.046 4.733 1.00 0.00 H new HETATM 1639 N NH2 B 49 3.510 -21.178 5.790 1.00 0.00 N TER 1642 NH2 B 49 HETATM 1643 ZN ZN A 50 -3.877 -4.549 -7.821 1.00 0.00 ZN HETATM 1644 ZN ZN B 50 -2.251 -7.715 -5.336 1.00 0.00 ZN