USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 562 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 8 LYS NZ :NH3+ 180:sc= -0.0137 (180deg=0) USER MOD Set 1.2: D 8 LYS NZ :NH3+ -140:sc= -0.197 (180deg=0) USER MOD Single : A 1 CYS N :NH3+ 172:sc= -0.0764 (180deg=-0.216) 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 10 LYS NZ :NH3+ 149:sc= -0.262 (180deg=-2.37!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 CYS N :NH3+ 178:sc= 0 (180deg=-0.00474) USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 1 CYS N :NH3+ 162:sc=0.000401 (180deg=0) USER MOD Single : C 1 CYS SG : rot 180:sc= 0.0022 USER MOD Single : C 2 TYR OH : rot 180:sc= 0 USER MOD Single : C 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 2 TYR OH : rot 180:sc= 0 USER MOD Single : D 10 LYS NZ :NH3+ -151:sc= 0.0183 (180deg=0) USER MOD Single : D 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 3.400 4.051 -7.762 1.00 0.00 N ATOM 2 CA CYS A 1 3.854 4.574 -6.441 1.00 0.00 C ATOM 3 C CYS A 1 5.216 3.992 -6.086 1.00 0.00 C ATOM 4 O CYS A 1 5.611 3.961 -4.938 1.00 0.00 O ATOM 5 CB CYS A 1 2.793 4.111 -5.443 1.00 0.00 C ATOM 6 SG CYS A 1 1.535 5.399 -5.250 1.00 0.00 S ATOM 0 H1 CYS A 1 2.417 4.345 -7.932 1.00 0.00 H new ATOM 0 H2 CYS A 1 4.010 4.431 -8.514 1.00 0.00 H new ATOM 0 H3 CYS A 1 3.456 3.013 -7.762 1.00 0.00 H new ATOM 0 HA CYS A 1 3.963 5.659 -6.441 1.00 0.00 H new ATOM 0 HB2 CYS A 1 2.331 3.187 -5.791 1.00 0.00 H new ATOM 0 HB3 CYS A 1 3.256 3.893 -4.480 1.00 0.00 H new ATOM 13 N TYR A 2 5.937 3.536 -7.064 1.00 0.00 N ATOM 14 CA TYR A 2 7.276 2.964 -6.783 1.00 0.00 C ATOM 15 C TYR A 2 8.322 3.582 -7.727 1.00 0.00 C ATOM 16 O TYR A 2 9.499 3.577 -7.438 1.00 0.00 O ATOM 17 CB TYR A 2 7.118 1.457 -7.022 1.00 0.00 C ATOM 18 CG TYR A 2 7.471 1.145 -8.448 1.00 0.00 C ATOM 19 CD1 TYR A 2 8.813 1.087 -8.824 1.00 0.00 C ATOM 20 CD2 TYR A 2 6.465 0.955 -9.392 1.00 0.00 C ATOM 21 CE1 TYR A 2 9.156 0.835 -10.148 1.00 0.00 C ATOM 22 CE2 TYR A 2 6.801 0.697 -10.721 1.00 0.00 C ATOM 23 CZ TYR A 2 8.149 0.637 -11.104 1.00 0.00 C ATOM 24 OH TYR A 2 8.484 0.385 -12.419 1.00 0.00 O ATOM 0 H TYR A 2 5.658 3.534 -8.045 1.00 0.00 H new ATOM 0 HA TYR A 2 7.621 3.170 -5.770 1.00 0.00 H new ATOM 0 HB2 TYR A 2 7.764 0.899 -6.344 1.00 0.00 H new ATOM 0 HB3 TYR A 2 6.094 1.149 -6.812 1.00 0.00 H new ATOM 0 HD1 TYR A 2 9.587 1.238 -8.086 1.00 0.00 H new ATOM 0 HD2 TYR A 2 5.428 1.007 -9.096 1.00 0.00 H new ATOM 0 HE1 TYR A 2 10.195 0.792 -10.439 1.00 0.00 H new ATOM 0 HE2 TYR A 2 6.024 0.544 -11.455 1.00 0.00 H new ATOM 0 HH TYR A 2 7.667 0.271 -12.949 1.00 0.00 H new ATOM 34 N LEU A 3 7.907 4.115 -8.854 1.00 0.00 N ATOM 35 CA LEU A 3 8.896 4.731 -9.781 1.00 0.00 C ATOM 36 C LEU A 3 9.802 5.618 -8.949 1.00 0.00 C ATOM 37 O LEU A 3 11.006 5.641 -9.098 1.00 0.00 O ATOM 38 CB LEU A 3 8.075 5.564 -10.752 1.00 0.00 C ATOM 39 CG LEU A 3 7.733 4.739 -11.978 1.00 0.00 C ATOM 40 CD1 LEU A 3 7.002 3.467 -11.549 1.00 0.00 C ATOM 41 CD2 LEU A 3 6.835 5.558 -12.905 1.00 0.00 C ATOM 0 H LEU A 3 6.936 4.147 -9.164 1.00 0.00 H new ATOM 0 HA LEU A 3 9.508 4.006 -10.318 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.161 5.908 -10.268 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.634 6.453 -11.045 1.00 0.00 H new ATOM 0 HG LEU A 3 8.649 4.469 -12.504 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.756 2.874 -12.430 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.643 2.885 -10.887 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.085 3.734 -11.024 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.588 4.967 -13.787 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.919 5.827 -12.380 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.358 6.465 -13.210 1.00 0.00 H new ATOM 53 N ARG A 4 9.196 6.313 -8.036 1.00 0.00 N ATOM 54 CA ARG A 4 9.960 7.189 -7.114 1.00 0.00 C ATOM 55 C ARG A 4 10.899 6.304 -6.312 1.00 0.00 C ATOM 56 O ARG A 4 12.032 6.645 -6.053 1.00 0.00 O ATOM 57 CB ARG A 4 8.933 7.850 -6.174 1.00 0.00 C ATOM 58 CG ARG A 4 7.581 8.045 -6.876 1.00 0.00 C ATOM 59 CD ARG A 4 6.604 6.938 -6.438 1.00 0.00 C ATOM 60 NE ARG A 4 5.313 7.290 -7.093 1.00 0.00 N ATOM 61 CZ ARG A 4 4.584 8.261 -6.617 1.00 0.00 C ATOM 62 NH1 ARG A 4 4.146 8.206 -5.388 1.00 0.00 N ATOM 63 NH2 ARG A 4 4.289 9.284 -7.371 1.00 0.00 N ATOM 0 H ARG A 4 8.187 6.312 -7.887 1.00 0.00 H new ATOM 0 HA ARG A 4 10.536 7.949 -7.642 1.00 0.00 H new ATOM 0 HB2 ARG A 4 8.799 7.232 -5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 4 9.313 8.814 -5.837 1.00 0.00 H new ATOM 0 HG2 ARG A 4 7.170 9.024 -6.630 1.00 0.00 H new ATOM 0 HG3 ARG A 4 7.715 8.018 -7.957 1.00 0.00 H new ATOM 0 HD2 ARG A 4 6.953 5.955 -6.754 1.00 0.00 H new ATOM 0 HD3 ARG A 4 6.502 6.907 -5.353 1.00 0.00 H new ATOM 0 HE ARG A 4 4.999 6.772 -7.914 1.00 0.00 H new ATOM 0 HH11 ARG A 4 4.374 7.404 -4.801 1.00 0.00 H new ATOM 0 HH12 ARG A 4 3.576 8.965 -5.015 1.00 0.00 H new ATOM 0 HH21 ARG A 4 4.628 9.324 -8.332 1.00 0.00 H new ATOM 0 HH22 ARG A 4 3.719 10.044 -6.999 1.00 0.00 H new ATOM 77 N ARG A 5 10.421 5.155 -5.929 1.00 0.00 N ATOM 78 CA ARG A 5 11.267 4.212 -5.151 1.00 0.00 C ATOM 79 C ARG A 5 12.118 3.358 -6.090 1.00 0.00 C ATOM 80 O ARG A 5 12.897 2.532 -5.656 1.00 0.00 O ATOM 81 CB ARG A 5 10.282 3.351 -4.382 1.00 0.00 C ATOM 82 CG ARG A 5 9.669 4.162 -3.242 1.00 0.00 C ATOM 83 CD ARG A 5 8.195 4.412 -3.551 1.00 0.00 C ATOM 84 NE ARG A 5 7.493 3.175 -3.109 1.00 0.00 N ATOM 85 CZ ARG A 5 6.489 3.257 -2.280 1.00 0.00 C ATOM 86 NH1 ARG A 5 6.594 3.973 -1.194 1.00 0.00 N ATOM 87 NH2 ARG A 5 5.379 2.619 -2.535 1.00 0.00 N ATOM 0 H ARG A 5 9.475 4.827 -6.123 1.00 0.00 H new ATOM 0 HA ARG A 5 11.961 4.729 -4.488 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.498 2.994 -5.050 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.787 2.471 -3.984 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.771 3.624 -2.299 1.00 0.00 H new ATOM 0 HG3 ARG A 5 10.196 5.109 -3.127 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.823 5.288 -3.019 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.040 4.595 -4.614 1.00 0.00 H new ATOM 0 HE ARG A 5 7.797 2.265 -3.454 1.00 0.00 H new ATOM 0 HH11 ARG A 5 7.462 4.469 -0.992 1.00 0.00 H new ATOM 0 HH12 ARG A 5 5.808 4.036 -0.547 1.00 0.00 H new ATOM 0 HH21 ARG A 5 5.297 2.057 -3.382 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.594 2.683 -1.887 1.00 0.00 H new ATOM 101 N PHE A 6 11.985 3.552 -7.373 1.00 0.00 N ATOM 102 CA PHE A 6 12.796 2.752 -8.331 1.00 0.00 C ATOM 103 C PHE A 6 13.891 3.626 -8.952 1.00 0.00 C ATOM 104 O PHE A 6 15.057 3.288 -8.914 1.00 0.00 O ATOM 105 CB PHE A 6 11.800 2.266 -9.381 1.00 0.00 C ATOM 106 CG PHE A 6 12.480 2.031 -10.692 1.00 0.00 C ATOM 107 CD1 PHE A 6 13.579 1.177 -10.763 1.00 0.00 C ATOM 108 CD2 PHE A 6 11.999 2.658 -11.838 1.00 0.00 C ATOM 109 CE1 PHE A 6 14.202 0.951 -11.986 1.00 0.00 C ATOM 110 CE2 PHE A 6 12.617 2.434 -13.062 1.00 0.00 C ATOM 111 CZ PHE A 6 13.723 1.579 -13.143 1.00 0.00 C ATOM 0 H PHE A 6 11.351 4.229 -7.798 1.00 0.00 H new ATOM 0 HA PHE A 6 13.308 1.916 -7.855 1.00 0.00 H new ATOM 0 HB2 PHE A 6 11.328 1.344 -9.041 1.00 0.00 H new ATOM 0 HB3 PHE A 6 11.007 3.004 -9.505 1.00 0.00 H new ATOM 0 HD1 PHE A 6 13.946 0.692 -9.871 1.00 0.00 H new ATOM 0 HD2 PHE A 6 11.146 3.318 -11.776 1.00 0.00 H new ATOM 0 HE1 PHE A 6 15.055 0.291 -12.044 1.00 0.00 H new ATOM 0 HE2 PHE A 6 12.244 2.920 -13.952 1.00 0.00 H new ATOM 0 HZ PHE A 6 14.205 1.404 -14.094 1.00 0.00 H new ATOM 121 N PHE A 7 13.532 4.744 -9.527 1.00 0.00 N ATOM 122 CA PHE A 7 14.562 5.613 -10.141 1.00 0.00 C ATOM 123 C PHE A 7 15.454 6.219 -9.056 1.00 0.00 C ATOM 124 O PHE A 7 16.584 6.588 -9.306 1.00 0.00 O ATOM 125 CB PHE A 7 13.786 6.683 -10.925 1.00 0.00 C ATOM 126 CG PHE A 7 13.488 7.894 -10.069 1.00 0.00 C ATOM 127 CD1 PHE A 7 14.522 8.759 -9.686 1.00 0.00 C ATOM 128 CD2 PHE A 7 12.171 8.161 -9.675 1.00 0.00 C ATOM 129 CE1 PHE A 7 14.240 9.886 -8.907 1.00 0.00 C ATOM 130 CE2 PHE A 7 11.891 9.289 -8.896 1.00 0.00 C ATOM 131 CZ PHE A 7 12.924 10.152 -8.512 1.00 0.00 C ATOM 0 H PHE A 7 12.574 5.086 -9.595 1.00 0.00 H new ATOM 0 HA PHE A 7 15.230 5.066 -10.806 1.00 0.00 H new ATOM 0 HB2 PHE A 7 14.365 6.987 -11.797 1.00 0.00 H new ATOM 0 HB3 PHE A 7 12.852 6.259 -11.294 1.00 0.00 H new ATOM 0 HD1 PHE A 7 15.537 8.555 -9.993 1.00 0.00 H new ATOM 0 HD2 PHE A 7 11.373 7.497 -9.972 1.00 0.00 H new ATOM 0 HE1 PHE A 7 15.038 10.551 -8.610 1.00 0.00 H new ATOM 0 HE2 PHE A 7 10.876 9.494 -8.590 1.00 0.00 H new ATOM 0 HZ PHE A 7 12.706 11.023 -7.911 1.00 0.00 H new ATOM 141 N LYS A 8 14.963 6.322 -7.850 1.00 0.00 N ATOM 142 CA LYS A 8 15.799 6.897 -6.770 1.00 0.00 C ATOM 143 C LYS A 8 17.052 6.045 -6.576 1.00 0.00 C ATOM 144 O LYS A 8 18.163 6.527 -6.664 1.00 0.00 O ATOM 145 CB LYS A 8 14.934 6.866 -5.524 1.00 0.00 C ATOM 146 CG LYS A 8 14.573 8.295 -5.114 1.00 0.00 C ATOM 147 CD LYS A 8 13.429 8.264 -4.100 1.00 0.00 C ATOM 148 CE LYS A 8 12.460 9.413 -4.388 1.00 0.00 C ATOM 149 NZ LYS A 8 12.688 10.390 -3.288 1.00 0.00 N ATOM 0 H LYS A 8 14.025 6.034 -7.572 1.00 0.00 H new ATOM 0 HA LYS A 8 16.128 7.910 -7.000 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.027 6.291 -5.713 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.465 6.367 -4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.442 8.791 -4.682 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.280 8.873 -5.991 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.905 7.310 -4.156 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.824 8.352 -3.088 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.657 9.861 -5.362 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.427 9.065 -4.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.059 11.209 -3.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.487 9.937 -2.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.678 10.708 -3.306 1.00 0.00 H new ATOM 163 N ALA A 9 16.880 4.775 -6.320 1.00 0.00 N ATOM 164 CA ALA A 9 18.054 3.892 -6.134 1.00 0.00 C ATOM 165 C ALA A 9 18.815 3.788 -7.451 1.00 0.00 C ATOM 166 O ALA A 9 19.989 3.477 -7.483 1.00 0.00 O ATOM 167 CB ALA A 9 17.478 2.534 -5.729 1.00 0.00 C ATOM 0 H ALA A 9 15.973 4.316 -6.233 1.00 0.00 H new ATOM 0 HA ALA A 9 18.749 4.265 -5.382 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.292 1.825 -5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 9 16.908 2.641 -4.806 1.00 0.00 H new ATOM 0 HB3 ALA A 9 16.823 2.166 -6.519 1.00 0.00 H new ATOM 173 N LYS A 10 18.150 4.058 -8.541 1.00 0.00 N ATOM 174 CA LYS A 10 18.821 3.989 -9.850 1.00 0.00 C ATOM 175 C LYS A 10 19.872 5.087 -9.951 1.00 0.00 C ATOM 176 O LYS A 10 21.046 4.812 -10.013 1.00 0.00 O ATOM 177 CB LYS A 10 17.716 4.206 -10.857 1.00 0.00 C ATOM 178 CG LYS A 10 17.981 3.351 -12.093 1.00 0.00 C ATOM 179 CD LYS A 10 16.826 2.367 -12.287 1.00 0.00 C ATOM 180 CE LYS A 10 17.220 1.311 -13.322 1.00 0.00 C ATOM 181 NZ LYS A 10 18.544 0.800 -12.867 1.00 0.00 N ATOM 0 H LYS A 10 17.166 4.324 -8.571 1.00 0.00 H new ATOM 0 HA LYS A 10 19.337 3.043 -10.012 1.00 0.00 H new ATOM 0 HB2 LYS A 10 16.753 3.943 -10.419 1.00 0.00 H new ATOM 0 HB3 LYS A 10 17.663 5.259 -11.134 1.00 0.00 H new ATOM 0 HG2 LYS A 10 18.084 3.986 -12.973 1.00 0.00 H new ATOM 0 HG3 LYS A 10 18.920 2.809 -11.979 1.00 0.00 H new ATOM 0 HD2 LYS A 10 16.580 1.888 -11.339 1.00 0.00 H new ATOM 0 HD3 LYS A 10 15.933 2.899 -12.617 1.00 0.00 H new ATOM 0 HE2 LYS A 10 16.483 0.510 -13.369 1.00 0.00 H new ATOM 0 HE3 LYS A 10 17.286 1.742 -14.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 18.645 -0.197 -13.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 19.302 1.360 -13.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 18.610 0.880 -11.832 1.00 0.00 H new ATOM 195 N LYS A 11 19.453 6.330 -9.958 1.00 0.00 N ATOM 196 CA LYS A 11 20.431 7.456 -10.047 1.00 0.00 C ATOM 197 C LYS A 11 21.703 7.106 -9.272 1.00 0.00 C ATOM 198 O LYS A 11 22.792 7.522 -9.617 1.00 0.00 O ATOM 199 CB LYS A 11 19.721 8.650 -9.409 1.00 0.00 C ATOM 200 CG LYS A 11 18.567 9.099 -10.308 1.00 0.00 C ATOM 201 CD LYS A 11 18.894 10.465 -10.913 1.00 0.00 C ATOM 202 CE LYS A 11 18.603 10.444 -12.417 1.00 0.00 C ATOM 203 NZ LYS A 11 19.903 10.766 -13.066 1.00 0.00 N ATOM 0 H LYS A 11 18.474 6.612 -9.906 1.00 0.00 H new ATOM 0 HA LYS A 11 20.731 7.666 -11.074 1.00 0.00 H new ATOM 0 HB2 LYS A 11 19.343 8.378 -8.423 1.00 0.00 H new ATOM 0 HB3 LYS A 11 20.424 9.470 -9.265 1.00 0.00 H new ATOM 0 HG2 LYS A 11 18.403 8.368 -11.100 1.00 0.00 H new ATOM 0 HG3 LYS A 11 17.644 9.156 -9.731 1.00 0.00 H new ATOM 0 HD2 LYS A 11 18.300 11.240 -10.428 1.00 0.00 H new ATOM 0 HD3 LYS A 11 19.942 10.710 -10.738 1.00 0.00 H new ATOM 0 HE2 LYS A 11 18.235 9.468 -12.734 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.838 11.175 -12.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 19.784 10.770 -14.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 20.226 11.703 -12.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 20.610 10.050 -12.802 1.00 0.00 H new ATOM 217 N LEU A 12 21.570 6.329 -8.232 1.00 0.00 N ATOM 218 CA LEU A 12 22.754 5.928 -7.437 1.00 0.00 C ATOM 219 C LEU A 12 23.665 5.002 -8.254 1.00 0.00 C ATOM 220 O LEU A 12 24.872 5.134 -8.235 1.00 0.00 O ATOM 221 CB LEU A 12 22.183 5.185 -6.228 1.00 0.00 C ATOM 222 CG LEU A 12 21.105 6.040 -5.561 1.00 0.00 C ATOM 223 CD1 LEU A 12 20.779 5.463 -4.183 1.00 0.00 C ATOM 224 CD2 LEU A 12 21.612 7.477 -5.404 1.00 0.00 C ATOM 0 H LEU A 12 20.681 5.954 -7.900 1.00 0.00 H new ATOM 0 HA LEU A 12 23.360 6.785 -7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 12 21.761 4.230 -6.542 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.978 4.964 -5.516 1.00 0.00 H new ATOM 0 HG LEU A 12 20.208 6.038 -6.180 1.00 0.00 H new ATOM 0 HD11 LEU A 12 20.011 6.072 -3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 12 20.416 4.441 -4.293 1.00 0.00 H new ATOM 0 HD13 LEU A 12 21.678 5.464 -3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 12 20.842 8.085 -4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 12 22.510 7.481 -4.786 1.00 0.00 H new ATOM 0 HD23 LEU A 12 21.845 7.890 -6.385 1.00 0.00 H new ATOM 236 N ILE A 13 23.101 4.047 -8.953 1.00 0.00 N ATOM 237 CA ILE A 13 23.959 3.104 -9.741 1.00 0.00 C ATOM 238 C ILE A 13 23.434 2.873 -11.150 1.00 0.00 C ATOM 239 O ILE A 13 24.070 2.248 -11.976 1.00 0.00 O ATOM 240 CB ILE A 13 23.912 1.818 -8.946 1.00 0.00 C ATOM 241 CG1 ILE A 13 22.455 1.427 -8.734 1.00 0.00 C ATOM 242 CG2 ILE A 13 24.583 2.040 -7.594 1.00 0.00 C ATOM 243 CD1 ILE A 13 22.255 -0.040 -9.111 1.00 0.00 C ATOM 0 H ILE A 13 22.097 3.880 -9.013 1.00 0.00 H new ATOM 0 HA ILE A 13 24.966 3.500 -9.874 1.00 0.00 H new ATOM 0 HB ILE A 13 24.433 1.025 -9.482 1.00 0.00 H new ATOM 0 HG12 ILE A 13 22.173 1.587 -7.693 1.00 0.00 H new ATOM 0 HG13 ILE A 13 21.807 2.060 -9.340 1.00 0.00 H new ATOM 0 HG21 ILE A 13 24.552 1.116 -7.016 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.620 2.338 -7.747 1.00 0.00 H new ATOM 0 HG23 ILE A 13 24.057 2.825 -7.051 1.00 0.00 H new ATOM 0 HD11 ILE A 13 21.212 -0.316 -8.958 1.00 0.00 H new ATOM 0 HD12 ILE A 13 22.519 -0.186 -10.158 1.00 0.00 H new ATOM 0 HD13 ILE A 13 22.891 -0.666 -8.486 1.00 0.00 H new ATOM 255 N GLU A 14 22.303 3.402 -11.414 1.00 0.00 N ATOM 256 CA GLU A 14 21.673 3.288 -12.762 1.00 0.00 C ATOM 257 C GLU A 14 22.021 1.948 -13.418 1.00 0.00 C ATOM 258 O GLU A 14 21.310 0.988 -13.172 1.00 0.00 O ATOM 259 CB GLU A 14 22.258 4.457 -13.564 1.00 0.00 C ATOM 260 CG GLU A 14 22.544 5.638 -12.625 1.00 0.00 C ATOM 261 CD GLU A 14 22.104 6.943 -13.292 1.00 0.00 C ATOM 262 OE1 GLU A 14 20.908 7.141 -13.433 1.00 0.00 O ATOM 263 OE2 GLU A 14 22.972 7.723 -13.649 1.00 0.00 O ATOM 264 OXT GLU A 14 22.993 1.907 -14.154 1.00 0.00 O ATOM 0 H GLU A 14 21.753 3.933 -10.738 1.00 0.00 H new ATOM 0 HA GLU A 14 20.585 3.326 -12.711 1.00 0.00 H new ATOM 0 HB2 GLU A 14 23.176 4.145 -14.062 1.00 0.00 H new ATOM 0 HB3 GLU A 14 21.560 4.761 -14.344 1.00 0.00 H new ATOM 0 HG2 GLU A 14 22.014 5.503 -11.682 1.00 0.00 H new ATOM 0 HG3 GLU A 14 23.607 5.679 -12.389 1.00 0.00 H new ATOM 272 N CYS B 1 0.193 4.925 -0.216 1.00 0.00 N ATOM 273 CA CYS B 1 1.381 4.699 -1.089 1.00 0.00 C ATOM 274 C CYS B 1 2.654 5.014 -0.328 1.00 0.00 C ATOM 275 O CYS B 1 3.520 5.732 -0.789 1.00 0.00 O ATOM 276 CB CYS B 1 1.205 5.663 -2.256 1.00 0.00 C ATOM 277 SG CYS B 1 0.450 4.797 -3.655 1.00 0.00 S ATOM 0 H1 CYS B 1 -0.676 4.739 -0.757 1.00 0.00 H new ATOM 0 H2 CYS B 1 0.236 4.284 0.602 1.00 0.00 H new ATOM 0 H3 CYS B 1 0.189 5.910 0.117 1.00 0.00 H new ATOM 0 HA CYS B 1 1.457 3.665 -1.424 1.00 0.00 H new ATOM 0 HB2 CYS B 1 0.579 6.503 -1.955 1.00 0.00 H new ATOM 0 HB3 CYS B 1 2.171 6.074 -2.549 1.00 0.00 H new ATOM 284 N TYR B 2 2.773 4.458 0.826 1.00 0.00 N ATOM 285 CA TYR B 2 3.980 4.675 1.643 1.00 0.00 C ATOM 286 C TYR B 2 4.012 3.572 2.688 1.00 0.00 C ATOM 287 O TYR B 2 5.043 3.021 2.999 1.00 0.00 O ATOM 288 CB TYR B 2 3.812 6.072 2.265 1.00 0.00 C ATOM 289 CG TYR B 2 3.262 5.937 3.659 1.00 0.00 C ATOM 290 CD1 TYR B 2 4.086 5.461 4.680 1.00 0.00 C ATOM 291 CD2 TYR B 2 1.928 6.245 3.917 1.00 0.00 C ATOM 292 CE1 TYR B 2 3.580 5.292 5.964 1.00 0.00 C ATOM 293 CE2 TYR B 2 1.415 6.084 5.203 1.00 0.00 C ATOM 294 CZ TYR B 2 2.240 5.605 6.234 1.00 0.00 C ATOM 295 OH TYR B 2 1.732 5.438 7.506 1.00 0.00 O ATOM 0 H TYR B 2 2.072 3.849 1.249 1.00 0.00 H new ATOM 0 HA TYR B 2 4.917 4.639 1.088 1.00 0.00 H new ATOM 0 HB2 TYR B 2 4.771 6.589 2.289 1.00 0.00 H new ATOM 0 HB3 TYR B 2 3.140 6.675 1.654 1.00 0.00 H new ATOM 0 HD1 TYR B 2 5.119 5.223 4.472 1.00 0.00 H new ATOM 0 HD2 TYR B 2 1.293 6.608 3.122 1.00 0.00 H new ATOM 0 HE1 TYR B 2 4.218 4.920 6.752 1.00 0.00 H new ATOM 0 HE2 TYR B 2 0.383 6.328 5.407 1.00 0.00 H new ATOM 0 HH TYR B 2 0.789 5.703 7.519 1.00 0.00 H new ATOM 305 N LEU B 3 2.864 3.238 3.211 1.00 0.00 N ATOM 306 CA LEU B 3 2.783 2.156 4.206 1.00 0.00 C ATOM 307 C LEU B 3 3.672 1.013 3.745 1.00 0.00 C ATOM 308 O LEU B 3 4.395 0.408 4.513 1.00 0.00 O ATOM 309 CB LEU B 3 1.332 1.749 4.177 1.00 0.00 C ATOM 310 CG LEU B 3 0.970 1.176 5.517 1.00 0.00 C ATOM 311 CD1 LEU B 3 -0.199 1.956 6.108 1.00 0.00 C ATOM 312 CD2 LEU B 3 0.597 -0.291 5.336 1.00 0.00 C ATOM 0 H LEU B 3 1.974 3.680 2.982 1.00 0.00 H new ATOM 0 HA LEU B 3 3.106 2.444 5.206 1.00 0.00 H new ATOM 0 HB2 LEU B 3 0.702 2.609 3.950 1.00 0.00 H new ATOM 0 HB3 LEU B 3 1.161 1.013 3.392 1.00 0.00 H new ATOM 0 HG LEU B 3 1.815 1.252 6.201 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -0.460 1.539 7.080 1.00 0.00 H new ATOM 0 HD12 LEU B 3 0.084 3.002 6.226 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -1.058 1.886 5.440 1.00 0.00 H new ATOM 0 HD21 LEU B 3 0.332 -0.721 6.302 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -0.253 -0.369 4.658 1.00 0.00 H new ATOM 0 HD23 LEU B 3 1.445 -0.833 4.918 1.00 0.00 H new ATOM 324 N ARG B 4 3.645 0.754 2.473 1.00 0.00 N ATOM 325 CA ARG B 4 4.513 -0.308 1.914 1.00 0.00 C ATOM 326 C ARG B 4 5.939 -0.023 2.366 1.00 0.00 C ATOM 327 O ARG B 4 6.650 -0.893 2.830 1.00 0.00 O ATOM 328 CB ARG B 4 4.392 -0.170 0.392 1.00 0.00 C ATOM 329 CG ARG B 4 2.923 0.010 -0.002 1.00 0.00 C ATOM 330 CD ARG B 4 2.672 1.464 -0.431 1.00 0.00 C ATOM 331 NE ARG B 4 1.191 1.575 -0.550 1.00 0.00 N ATOM 332 CZ ARG B 4 0.557 0.905 -1.473 1.00 0.00 C ATOM 333 NH1 ARG B 4 0.233 -0.343 -1.266 1.00 0.00 N ATOM 334 NH2 ARG B 4 0.251 1.482 -2.604 1.00 0.00 N ATOM 0 H ARG B 4 3.056 1.235 1.794 1.00 0.00 H new ATOM 0 HA ARG B 4 4.239 -1.313 2.236 1.00 0.00 H new ATOM 0 HB2 ARG B 4 4.977 0.683 0.048 1.00 0.00 H new ATOM 0 HB3 ARG B 4 4.802 -1.054 -0.095 1.00 0.00 H new ATOM 0 HG2 ARG B 4 2.670 -0.668 -0.817 1.00 0.00 H new ATOM 0 HG3 ARG B 4 2.278 -0.247 0.838 1.00 0.00 H new ATOM 0 HD2 ARG B 4 3.064 2.167 0.304 1.00 0.00 H new ATOM 0 HD3 ARG B 4 3.163 1.687 -1.378 1.00 0.00 H new ATOM 0 HE ARG B 4 0.672 2.175 0.091 1.00 0.00 H new ATOM 0 HH11 ARG B 4 0.475 -0.793 -0.383 1.00 0.00 H new ATOM 0 HH12 ARG B 4 -0.263 -0.868 -1.987 1.00 0.00 H new ATOM 0 HH21 ARG B 4 0.508 2.456 -2.765 1.00 0.00 H new ATOM 0 HH22 ARG B 4 -0.245 0.959 -3.326 1.00 0.00 H new ATOM 348 N ARG B 5 6.347 1.210 2.247 1.00 0.00 N ATOM 349 CA ARG B 5 7.719 1.590 2.686 1.00 0.00 C ATOM 350 C ARG B 5 7.786 1.665 4.218 1.00 0.00 C ATOM 351 O ARG B 5 8.851 1.696 4.802 1.00 0.00 O ATOM 352 CB ARG B 5 7.987 2.954 2.027 1.00 0.00 C ATOM 353 CG ARG B 5 7.637 4.105 2.977 1.00 0.00 C ATOM 354 CD ARG B 5 7.153 5.308 2.162 1.00 0.00 C ATOM 355 NE ARG B 5 8.389 6.070 1.828 1.00 0.00 N ATOM 356 CZ ARG B 5 8.397 6.883 0.807 1.00 0.00 C ATOM 357 NH1 ARG B 5 7.999 8.117 0.952 1.00 0.00 N ATOM 358 NH2 ARG B 5 8.805 6.462 -0.358 1.00 0.00 N ATOM 0 H ARG B 5 5.788 1.972 1.864 1.00 0.00 H new ATOM 0 HA ARG B 5 8.473 0.860 2.391 1.00 0.00 H new ATOM 0 HB2 ARG B 5 9.036 3.022 1.739 1.00 0.00 H new ATOM 0 HB3 ARG B 5 7.399 3.041 1.113 1.00 0.00 H new ATOM 0 HG2 ARG B 5 6.863 3.791 3.677 1.00 0.00 H new ATOM 0 HG3 ARG B 5 8.510 4.380 3.569 1.00 0.00 H new ATOM 0 HD2 ARG B 5 6.630 4.989 1.260 1.00 0.00 H new ATOM 0 HD3 ARG B 5 6.456 5.919 2.736 1.00 0.00 H new ATOM 0 HE ARG B 5 9.228 5.956 2.397 1.00 0.00 H new ATOM 0 HH11 ARG B 5 7.681 8.447 1.864 1.00 0.00 H new ATOM 0 HH12 ARG B 5 8.005 8.752 0.154 1.00 0.00 H new ATOM 0 HH21 ARG B 5 9.118 5.498 -0.471 1.00 0.00 H new ATOM 0 HH22 ARG B 5 8.811 7.097 -1.156 1.00 0.00 H new ATOM 372 N PHE B 6 6.655 1.684 4.871 1.00 0.00 N ATOM 373 CA PHE B 6 6.656 1.746 6.362 1.00 0.00 C ATOM 374 C PHE B 6 6.557 0.337 6.951 1.00 0.00 C ATOM 375 O PHE B 6 7.412 -0.093 7.701 1.00 0.00 O ATOM 376 CB PHE B 6 5.435 2.576 6.728 1.00 0.00 C ATOM 377 CG PHE B 6 5.057 2.339 8.154 1.00 0.00 C ATOM 378 CD1 PHE B 6 5.937 2.700 9.171 1.00 0.00 C ATOM 379 CD2 PHE B 6 3.824 1.771 8.456 1.00 0.00 C ATOM 380 CE1 PHE B 6 5.582 2.491 10.501 1.00 0.00 C ATOM 381 CE2 PHE B 6 3.465 1.560 9.783 1.00 0.00 C ATOM 382 CZ PHE B 6 4.343 1.919 10.813 1.00 0.00 C ATOM 0 H PHE B 6 5.732 1.659 4.438 1.00 0.00 H new ATOM 0 HA PHE B 6 7.572 2.186 6.756 1.00 0.00 H new ATOM 0 HB2 PHE B 6 5.645 3.634 6.571 1.00 0.00 H new ATOM 0 HB3 PHE B 6 4.601 2.317 6.075 1.00 0.00 H new ATOM 0 HD1 PHE B 6 6.893 3.141 8.929 1.00 0.00 H new ATOM 0 HD2 PHE B 6 3.147 1.494 7.662 1.00 0.00 H new ATOM 0 HE1 PHE B 6 6.262 2.770 11.292 1.00 0.00 H new ATOM 0 HE2 PHE B 6 2.508 1.119 10.019 1.00 0.00 H new ATOM 0 HZ PHE B 6 4.065 1.755 11.844 1.00 0.00 H new ATOM 392 N PHE B 7 5.522 -0.388 6.623 1.00 0.00 N ATOM 393 CA PHE B 7 5.380 -1.761 7.171 1.00 0.00 C ATOM 394 C PHE B 7 6.544 -2.635 6.697 1.00 0.00 C ATOM 395 O PHE B 7 6.947 -3.567 7.365 1.00 0.00 O ATOM 396 CB PHE B 7 4.020 -2.261 6.651 1.00 0.00 C ATOM 397 CG PHE B 7 4.186 -3.123 5.417 1.00 0.00 C ATOM 398 CD1 PHE B 7 4.714 -4.415 5.536 1.00 0.00 C ATOM 399 CD2 PHE B 7 3.803 -2.635 4.161 1.00 0.00 C ATOM 400 CE1 PHE B 7 4.862 -5.219 4.400 1.00 0.00 C ATOM 401 CE2 PHE B 7 3.949 -3.443 3.024 1.00 0.00 C ATOM 402 CZ PHE B 7 4.479 -4.733 3.144 1.00 0.00 C ATOM 0 H PHE B 7 4.772 -0.087 6.001 1.00 0.00 H new ATOM 0 HA PHE B 7 5.409 -1.792 8.260 1.00 0.00 H new ATOM 0 HB2 PHE B 7 3.518 -2.832 7.431 1.00 0.00 H new ATOM 0 HB3 PHE B 7 3.381 -1.409 6.419 1.00 0.00 H new ATOM 0 HD1 PHE B 7 5.007 -4.791 6.505 1.00 0.00 H new ATOM 0 HD2 PHE B 7 3.396 -1.639 4.068 1.00 0.00 H new ATOM 0 HE1 PHE B 7 5.272 -6.214 4.492 1.00 0.00 H new ATOM 0 HE2 PHE B 7 3.652 -3.070 2.055 1.00 0.00 H new ATOM 0 HZ PHE B 7 4.593 -5.354 2.267 1.00 0.00 H new ATOM 412 N LYS B 8 7.093 -2.337 5.552 1.00 0.00 N ATOM 413 CA LYS B 8 8.231 -3.145 5.046 1.00 0.00 C ATOM 414 C LYS B 8 9.283 -3.312 6.144 1.00 0.00 C ATOM 415 O LYS B 8 9.703 -4.409 6.455 1.00 0.00 O ATOM 416 CB LYS B 8 8.791 -2.352 3.876 1.00 0.00 C ATOM 417 CG LYS B 8 8.383 -3.020 2.561 1.00 0.00 C ATOM 418 CD LYS B 8 8.772 -2.121 1.385 1.00 0.00 C ATOM 419 CE LYS B 8 10.275 -1.836 1.434 1.00 0.00 C ATOM 420 NZ LYS B 8 10.607 -1.276 0.094 1.00 0.00 N ATOM 0 H LYS B 8 6.801 -1.569 4.947 1.00 0.00 H new ATOM 0 HA LYS B 8 7.928 -4.147 4.743 1.00 0.00 H new ATOM 0 HB2 LYS B 8 8.419 -1.328 3.906 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.877 -2.298 3.947 1.00 0.00 H new ATOM 0 HG2 LYS B 8 8.872 -3.990 2.467 1.00 0.00 H new ATOM 0 HG3 LYS B 8 7.308 -3.202 2.552 1.00 0.00 H new ATOM 0 HD2 LYS B 8 8.514 -2.605 0.443 1.00 0.00 H new ATOM 0 HD3 LYS B 8 8.213 -1.187 1.428 1.00 0.00 H new ATOM 0 HE2 LYS B 8 10.517 -1.129 2.228 1.00 0.00 H new ATOM 0 HE3 LYS B 8 10.842 -2.745 1.633 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 11.623 -1.056 0.052 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 10.373 -1.973 -0.641 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 10.057 -0.408 -0.065 1.00 0.00 H new ATOM 434 N ALA B 9 9.711 -2.228 6.736 1.00 0.00 N ATOM 435 CA ALA B 9 10.731 -2.318 7.815 1.00 0.00 C ATOM 436 C ALA B 9 10.188 -3.137 8.988 1.00 0.00 C ATOM 437 O ALA B 9 10.918 -3.846 9.653 1.00 0.00 O ATOM 438 CB ALA B 9 10.984 -0.874 8.245 1.00 0.00 C ATOM 0 H ALA B 9 9.396 -1.283 6.516 1.00 0.00 H new ATOM 0 HA ALA B 9 11.644 -2.809 7.478 1.00 0.00 H new ATOM 0 HB1 ALA B 9 11.728 -0.857 9.041 1.00 0.00 H new ATOM 0 HB2 ALA B 9 11.350 -0.300 7.394 1.00 0.00 H new ATOM 0 HB3 ALA B 9 10.055 -0.434 8.607 1.00 0.00 H new ATOM 444 N LYS B 10 8.913 -3.047 9.244 1.00 0.00 N ATOM 445 CA LYS B 10 8.316 -3.808 10.356 1.00 0.00 C ATOM 446 C LYS B 10 8.471 -5.310 10.111 1.00 0.00 C ATOM 447 O LYS B 10 9.150 -6.002 10.843 1.00 0.00 O ATOM 448 CB LYS B 10 6.863 -3.390 10.320 1.00 0.00 C ATOM 449 CG LYS B 10 6.352 -3.178 11.739 1.00 0.00 C ATOM 450 CD LYS B 10 5.347 -4.272 12.062 1.00 0.00 C ATOM 451 CE LYS B 10 3.958 -3.842 11.588 1.00 0.00 C ATOM 452 NZ LYS B 10 3.190 -3.585 12.838 1.00 0.00 N ATOM 0 H LYS B 10 8.258 -2.469 8.718 1.00 0.00 H new ATOM 0 HA LYS B 10 8.783 -3.613 11.321 1.00 0.00 H new ATOM 0 HB2 LYS B 10 6.753 -2.472 9.743 1.00 0.00 H new ATOM 0 HB3 LYS B 10 6.268 -4.154 9.820 1.00 0.00 H new ATOM 0 HG2 LYS B 10 7.180 -3.204 12.447 1.00 0.00 H new ATOM 0 HG3 LYS B 10 5.886 -2.197 11.830 1.00 0.00 H new ATOM 0 HD2 LYS B 10 5.637 -5.203 11.575 1.00 0.00 H new ATOM 0 HD3 LYS B 10 5.334 -4.464 13.135 1.00 0.00 H new ATOM 0 HE2 LYS B 10 4.012 -2.948 10.966 1.00 0.00 H new ATOM 0 HE3 LYS B 10 3.487 -4.620 10.988 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 2.224 -3.285 12.596 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 3.150 -4.455 13.406 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 3.659 -2.835 13.385 1.00 0.00 H new ATOM 466 N LYS B 11 7.855 -5.818 9.082 1.00 0.00 N ATOM 467 CA LYS B 11 7.976 -7.271 8.789 1.00 0.00 C ATOM 468 C LYS B 11 9.433 -7.722 8.947 1.00 0.00 C ATOM 469 O LYS B 11 9.711 -8.826 9.373 1.00 0.00 O ATOM 470 CB LYS B 11 7.525 -7.417 7.334 1.00 0.00 C ATOM 471 CG LYS B 11 5.997 -7.376 7.266 1.00 0.00 C ATOM 472 CD LYS B 11 5.442 -8.794 7.423 1.00 0.00 C ATOM 473 CE LYS B 11 3.982 -8.826 6.967 1.00 0.00 C ATOM 474 NZ LYS B 11 3.607 -10.266 6.978 1.00 0.00 N ATOM 0 H LYS B 11 7.273 -5.290 8.432 1.00 0.00 H new ATOM 0 HA LYS B 11 7.379 -7.882 9.466 1.00 0.00 H new ATOM 0 HB2 LYS B 11 7.948 -6.615 6.729 1.00 0.00 H new ATOM 0 HB3 LYS B 11 7.893 -8.356 6.921 1.00 0.00 H new ATOM 0 HG2 LYS B 11 5.604 -6.731 8.052 1.00 0.00 H new ATOM 0 HG3 LYS B 11 5.676 -6.951 6.315 1.00 0.00 H new ATOM 0 HD2 LYS B 11 6.033 -9.494 6.833 1.00 0.00 H new ATOM 0 HD3 LYS B 11 5.516 -9.111 8.463 1.00 0.00 H new ATOM 0 HE2 LYS B 11 3.346 -8.247 7.637 1.00 0.00 H new ATOM 0 HE3 LYS B 11 3.870 -8.396 5.972 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 2.617 -10.369 6.676 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 4.224 -10.791 6.326 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 3.717 -10.646 7.940 1.00 0.00 H new ATOM 488 N LEU B 12 10.363 -6.875 8.598 1.00 0.00 N ATOM 489 CA LEU B 12 11.799 -7.243 8.710 1.00 0.00 C ATOM 490 C LEU B 12 12.208 -7.434 10.171 1.00 0.00 C ATOM 491 O LEU B 12 13.283 -7.916 10.463 1.00 0.00 O ATOM 492 CB LEU B 12 12.556 -6.066 8.096 1.00 0.00 C ATOM 493 CG LEU B 12 12.546 -6.198 6.576 1.00 0.00 C ATOM 494 CD1 LEU B 12 13.393 -5.083 5.958 1.00 0.00 C ATOM 495 CD2 LEU B 12 13.126 -7.559 6.183 1.00 0.00 C ATOM 0 H LEU B 12 10.186 -5.937 8.238 1.00 0.00 H new ATOM 0 HA LEU B 12 12.013 -8.185 8.205 1.00 0.00 H new ATOM 0 HB2 LEU B 12 12.093 -5.125 8.394 1.00 0.00 H new ATOM 0 HB3 LEU B 12 13.582 -6.047 8.464 1.00 0.00 H new ATOM 0 HG LEU B 12 11.522 -6.117 6.210 1.00 0.00 H new ATOM 0 HD11 LEU B 12 13.385 -5.179 4.872 1.00 0.00 H new ATOM 0 HD12 LEU B 12 12.981 -4.114 6.240 1.00 0.00 H new ATOM 0 HD13 LEU B 12 14.418 -5.161 6.321 1.00 0.00 H new ATOM 0 HD21 LEU B 12 13.121 -7.657 5.097 1.00 0.00 H new ATOM 0 HD22 LEU B 12 14.150 -7.638 6.549 1.00 0.00 H new ATOM 0 HD23 LEU B 12 12.521 -8.353 6.622 1.00 0.00 H new ATOM 507 N ILE B 13 11.367 -7.060 11.093 1.00 0.00 N ATOM 508 CA ILE B 13 11.731 -7.226 12.530 1.00 0.00 C ATOM 509 C ILE B 13 10.504 -7.529 13.367 1.00 0.00 C ATOM 510 O ILE B 13 10.266 -6.929 14.397 1.00 0.00 O ATOM 511 CB ILE B 13 12.380 -5.908 12.966 1.00 0.00 C ATOM 512 CG1 ILE B 13 11.710 -4.711 12.281 1.00 0.00 C ATOM 513 CG2 ILE B 13 13.864 -5.928 12.602 1.00 0.00 C ATOM 514 CD1 ILE B 13 11.089 -3.801 13.341 1.00 0.00 C ATOM 0 H ILE B 13 10.450 -6.649 10.918 1.00 0.00 H new ATOM 0 HA ILE B 13 12.415 -8.064 12.668 1.00 0.00 H new ATOM 0 HB ILE B 13 12.257 -5.805 14.044 1.00 0.00 H new ATOM 0 HG12 ILE B 13 12.443 -4.157 11.694 1.00 0.00 H new ATOM 0 HG13 ILE B 13 10.943 -5.057 11.588 1.00 0.00 H new ATOM 0 HG21 ILE B 13 14.327 -4.991 12.911 1.00 0.00 H new ATOM 0 HG22 ILE B 13 14.352 -6.759 13.110 1.00 0.00 H new ATOM 0 HG23 ILE B 13 13.973 -6.048 11.524 1.00 0.00 H new ATOM 0 HD11 ILE B 13 10.612 -2.949 12.855 1.00 0.00 H new ATOM 0 HD12 ILE B 13 10.344 -4.359 13.908 1.00 0.00 H new ATOM 0 HD13 ILE B 13 11.867 -3.445 14.016 1.00 0.00 H new ATOM 526 N GLU B 14 9.715 -8.448 12.917 1.00 0.00 N ATOM 527 CA GLU B 14 8.488 -8.808 13.641 1.00 0.00 C ATOM 528 C GLU B 14 8.354 -10.330 13.756 1.00 0.00 C ATOM 529 O GLU B 14 8.938 -10.890 14.670 1.00 0.00 O ATOM 530 CB GLU B 14 7.404 -8.224 12.760 1.00 0.00 C ATOM 531 CG GLU B 14 7.562 -6.707 12.730 1.00 0.00 C ATOM 532 CD GLU B 14 6.783 -6.089 13.891 1.00 0.00 C ATOM 533 OE1 GLU B 14 5.626 -6.439 14.056 1.00 0.00 O ATOM 534 OE2 GLU B 14 7.356 -5.273 14.596 1.00 0.00 O ATOM 535 OXT GLU B 14 7.671 -10.909 12.927 1.00 0.00 O ATOM 0 H GLU B 14 9.875 -8.975 12.058 1.00 0.00 H new ATOM 0 HA GLU B 14 8.456 -8.436 14.665 1.00 0.00 H new ATOM 0 HB2 GLU B 14 7.476 -8.631 11.752 1.00 0.00 H new ATOM 0 HB3 GLU B 14 6.420 -8.494 13.143 1.00 0.00 H new ATOM 0 HG2 GLU B 14 8.616 -6.439 12.802 1.00 0.00 H new ATOM 0 HG3 GLU B 14 7.197 -6.312 11.782 1.00 0.00 H new ATOM 543 N CYS C 1 24.115 -2.590 10.144 1.00 0.00 N ATOM 544 CA CYS C 1 23.697 -2.683 8.714 1.00 0.00 C ATOM 545 C CYS C 1 22.280 -3.227 8.619 1.00 0.00 C ATOM 546 O CYS C 1 22.026 -4.274 8.058 1.00 0.00 O ATOM 547 CB CYS C 1 24.693 -3.644 8.071 1.00 0.00 C ATOM 548 SG CYS C 1 26.206 -2.747 7.636 1.00 0.00 S ATOM 0 H1 CYS C 1 25.151 -2.517 10.199 1.00 0.00 H new ATOM 0 H2 CYS C 1 23.685 -1.748 10.577 1.00 0.00 H new ATOM 0 H3 CYS C 1 23.801 -3.440 10.654 1.00 0.00 H new ATOM 0 HA CYS C 1 23.696 -1.713 8.217 1.00 0.00 H new ATOM 0 HB2 CYS C 1 24.925 -4.457 8.758 1.00 0.00 H new ATOM 0 HB3 CYS C 1 24.256 -4.095 7.180 1.00 0.00 H new ATOM 0 HG CYS C 1 27.055 -3.567 7.090 1.00 0.00 H new ATOM 555 N TYR C 2 21.358 -2.497 9.156 1.00 0.00 N ATOM 556 CA TYR C 2 19.937 -2.901 9.116 1.00 0.00 C ATOM 557 C TYR C 2 19.139 -1.704 9.600 1.00 0.00 C ATOM 558 O TYR C 2 18.106 -1.361 9.072 1.00 0.00 O ATOM 559 CB TYR C 2 19.814 -4.104 10.070 1.00 0.00 C ATOM 560 CG TYR C 2 19.385 -3.619 11.433 1.00 0.00 C ATOM 561 CD1 TYR C 2 18.065 -3.212 11.635 1.00 0.00 C ATOM 562 CD2 TYR C 2 20.313 -3.537 12.471 1.00 0.00 C ATOM 563 CE1 TYR C 2 17.665 -2.722 12.875 1.00 0.00 C ATOM 564 CE2 TYR C 2 19.917 -3.054 13.720 1.00 0.00 C ATOM 565 CZ TYR C 2 18.590 -2.643 13.925 1.00 0.00 C ATOM 566 OH TYR C 2 18.199 -2.156 15.156 1.00 0.00 O ATOM 0 H TYR C 2 21.534 -1.613 9.634 1.00 0.00 H new ATOM 0 HA TYR C 2 19.573 -3.188 8.129 1.00 0.00 H new ATOM 0 HB2 TYR C 2 19.089 -4.818 9.681 1.00 0.00 H new ATOM 0 HB3 TYR C 2 20.769 -4.625 10.141 1.00 0.00 H new ATOM 0 HD1 TYR C 2 17.352 -3.278 10.827 1.00 0.00 H new ATOM 0 HD2 TYR C 2 21.335 -3.846 12.309 1.00 0.00 H new ATOM 0 HE1 TYR C 2 16.644 -2.403 13.028 1.00 0.00 H new ATOM 0 HE2 TYR C 2 20.631 -2.997 14.528 1.00 0.00 H new ATOM 0 HH TYR C 2 18.962 -2.170 15.771 1.00 0.00 H new ATOM 576 N LEU C 3 19.648 -1.058 10.610 1.00 0.00 N ATOM 577 CA LEU C 3 18.979 0.137 11.145 1.00 0.00 C ATOM 578 C LEU C 3 18.543 1.015 9.986 1.00 0.00 C ATOM 579 O LEU C 3 17.415 1.462 9.911 1.00 0.00 O ATOM 580 CB LEU C 3 20.046 0.824 11.959 1.00 0.00 C ATOM 581 CG LEU C 3 19.375 1.686 12.992 1.00 0.00 C ATOM 582 CD1 LEU C 3 19.898 1.324 14.379 1.00 0.00 C ATOM 583 CD2 LEU C 3 19.662 3.153 12.684 1.00 0.00 C ATOM 0 H LEU C 3 20.511 -1.318 11.087 1.00 0.00 H new ATOM 0 HA LEU C 3 18.093 -0.087 11.739 1.00 0.00 H new ATOM 0 HB2 LEU C 3 20.689 0.087 12.440 1.00 0.00 H new ATOM 0 HB3 LEU C 3 20.683 1.430 11.315 1.00 0.00 H new ATOM 0 HG LEU C 3 18.298 1.520 12.970 1.00 0.00 H new ATOM 0 HD11 LEU C 3 19.410 1.950 15.126 1.00 0.00 H new ATOM 0 HD12 LEU C 3 19.683 0.276 14.587 1.00 0.00 H new ATOM 0 HD13 LEU C 3 20.975 1.487 14.416 1.00 0.00 H new ATOM 0 HD21 LEU C 3 19.178 3.783 13.430 1.00 0.00 H new ATOM 0 HD22 LEU C 3 20.738 3.326 12.706 1.00 0.00 H new ATOM 0 HD23 LEU C 3 19.276 3.399 11.695 1.00 0.00 H new ATOM 595 N ARG C 4 19.429 1.238 9.060 1.00 0.00 N ATOM 596 CA ARG C 4 19.063 2.060 7.878 1.00 0.00 C ATOM 597 C ARG C 4 17.720 1.555 7.363 1.00 0.00 C ATOM 598 O ARG C 4 16.888 2.306 6.896 1.00 0.00 O ATOM 599 CB ARG C 4 20.164 1.814 6.835 1.00 0.00 C ATOM 600 CG ARG C 4 21.543 1.798 7.506 1.00 0.00 C ATOM 601 CD ARG C 4 22.071 0.358 7.565 1.00 0.00 C ATOM 602 NE ARG C 4 23.442 0.475 8.136 1.00 0.00 N ATOM 603 CZ ARG C 4 24.361 1.143 7.494 1.00 0.00 C ATOM 604 NH1 ARG C 4 24.702 0.786 6.285 1.00 0.00 N ATOM 605 NH2 ARG C 4 24.940 2.166 8.060 1.00 0.00 N ATOM 0 H ARG C 4 20.387 0.888 9.070 1.00 0.00 H new ATOM 0 HA ARG C 4 18.980 3.123 8.103 1.00 0.00 H new ATOM 0 HB2 ARG C 4 19.988 0.865 6.328 1.00 0.00 H new ATOM 0 HB3 ARG C 4 20.132 2.593 6.073 1.00 0.00 H new ATOM 0 HG2 ARG C 4 22.237 2.428 6.949 1.00 0.00 H new ATOM 0 HG3 ARG C 4 21.474 2.212 8.512 1.00 0.00 H new ATOM 0 HD2 ARG C 4 21.436 -0.270 8.189 1.00 0.00 H new ATOM 0 HD3 ARG C 4 22.093 -0.095 6.574 1.00 0.00 H new ATOM 0 HE ARG C 4 23.662 0.033 9.029 1.00 0.00 H new ATOM 0 HH11 ARG C 4 24.250 -0.015 5.843 1.00 0.00 H new ATOM 0 HH12 ARG C 4 25.420 1.308 5.783 1.00 0.00 H new ATOM 0 HH21 ARG C 4 24.674 2.444 9.005 1.00 0.00 H new ATOM 0 HH22 ARG C 4 25.658 2.688 7.558 1.00 0.00 H new ATOM 619 N ARG C 5 17.510 0.272 7.462 1.00 0.00 N ATOM 620 CA ARG C 5 16.220 -0.315 7.000 1.00 0.00 C ATOM 621 C ARG C 5 15.165 -0.252 8.109 1.00 0.00 C ATOM 622 O ARG C 5 13.982 -0.354 7.857 1.00 0.00 O ATOM 623 CB ARG C 5 16.546 -1.755 6.643 1.00 0.00 C ATOM 624 CG ARG C 5 17.413 -1.787 5.385 1.00 0.00 C ATOM 625 CD ARG C 5 18.761 -2.416 5.726 1.00 0.00 C ATOM 626 NE ARG C 5 18.512 -3.884 5.721 1.00 0.00 N ATOM 627 CZ ARG C 5 18.991 -4.624 4.760 1.00 0.00 C ATOM 628 NH1 ARG C 5 20.259 -4.927 4.741 1.00 0.00 N ATOM 629 NH2 ARG C 5 18.203 -5.061 3.817 1.00 0.00 N ATOM 0 H ARG C 5 18.178 -0.398 7.844 1.00 0.00 H new ATOM 0 HA ARG C 5 15.805 0.230 6.152 1.00 0.00 H new ATOM 0 HB2 ARG C 5 17.069 -2.236 7.470 1.00 0.00 H new ATOM 0 HB3 ARG C 5 15.627 -2.317 6.478 1.00 0.00 H new ATOM 0 HG2 ARG C 5 16.918 -2.360 4.601 1.00 0.00 H new ATOM 0 HG3 ARG C 5 17.555 -0.777 5.000 1.00 0.00 H new ATOM 0 HD2 ARG C 5 19.521 -2.142 4.994 1.00 0.00 H new ATOM 0 HD3 ARG C 5 19.119 -2.079 6.699 1.00 0.00 H new ATOM 0 HE ARG C 5 17.966 -4.311 6.470 1.00 0.00 H new ATOM 0 HH11 ARG C 5 20.876 -4.585 5.478 1.00 0.00 H new ATOM 0 HH12 ARG C 5 20.634 -5.506 3.989 1.00 0.00 H new ATOM 0 HH21 ARG C 5 17.211 -4.824 3.831 1.00 0.00 H new ATOM 0 HH22 ARG C 5 18.579 -5.640 3.066 1.00 0.00 H new ATOM 643 N PHE C 6 15.585 -0.079 9.329 1.00 0.00 N ATOM 644 CA PHE C 6 14.608 -0.004 10.450 1.00 0.00 C ATOM 645 C PHE C 6 14.268 1.457 10.758 1.00 0.00 C ATOM 646 O PHE C 6 13.114 1.823 10.856 1.00 0.00 O ATOM 647 CB PHE C 6 15.314 -0.688 11.621 1.00 0.00 C ATOM 648 CG PHE C 6 14.909 -0.083 12.930 1.00 0.00 C ATOM 649 CD1 PHE C 6 15.536 1.077 13.380 1.00 0.00 C ATOM 650 CD2 PHE C 6 13.920 -0.694 13.699 1.00 0.00 C ATOM 651 CE1 PHE C 6 15.172 1.632 14.604 1.00 0.00 C ATOM 652 CE2 PHE C 6 13.555 -0.144 14.924 1.00 0.00 C ATOM 653 CZ PHE C 6 14.179 1.023 15.382 1.00 0.00 C ATOM 0 H PHE C 6 16.564 0.014 9.600 1.00 0.00 H new ATOM 0 HA PHE C 6 13.658 -0.488 10.223 1.00 0.00 H new ATOM 0 HB2 PHE C 6 15.076 -1.752 11.621 1.00 0.00 H new ATOM 0 HB3 PHE C 6 16.394 -0.603 11.497 1.00 0.00 H new ATOM 0 HD1 PHE C 6 16.303 1.545 12.781 1.00 0.00 H new ATOM 0 HD2 PHE C 6 13.438 -1.593 13.345 1.00 0.00 H new ATOM 0 HE1 PHE C 6 15.655 2.532 14.954 1.00 0.00 H new ATOM 0 HE2 PHE C 6 12.790 -0.617 15.522 1.00 0.00 H new ATOM 0 HZ PHE C 6 13.896 1.452 16.332 1.00 0.00 H new ATOM 663 N PHE C 7 15.255 2.296 10.913 1.00 0.00 N ATOM 664 CA PHE C 7 14.960 3.716 11.213 1.00 0.00 C ATOM 665 C PHE C 7 14.325 4.380 9.987 1.00 0.00 C ATOM 666 O PHE C 7 13.465 5.230 10.109 1.00 0.00 O ATOM 667 CB PHE C 7 16.313 4.339 11.600 1.00 0.00 C ATOM 668 CG PHE C 7 16.928 5.105 10.448 1.00 0.00 C ATOM 669 CD1 PHE C 7 16.350 6.305 10.016 1.00 0.00 C ATOM 670 CD2 PHE C 7 18.083 4.620 9.826 1.00 0.00 C ATOM 671 CE1 PHE C 7 16.927 7.018 8.957 1.00 0.00 C ATOM 672 CE2 PHE C 7 18.661 5.333 8.770 1.00 0.00 C ATOM 673 CZ PHE C 7 18.083 6.532 8.335 1.00 0.00 C ATOM 0 H PHE C 7 16.244 2.058 10.845 1.00 0.00 H new ATOM 0 HA PHE C 7 14.243 3.846 12.024 1.00 0.00 H new ATOM 0 HB2 PHE C 7 16.176 5.008 12.449 1.00 0.00 H new ATOM 0 HB3 PHE C 7 16.997 3.553 11.921 1.00 0.00 H new ATOM 0 HD1 PHE C 7 15.460 6.681 10.499 1.00 0.00 H new ATOM 0 HD2 PHE C 7 18.529 3.695 10.161 1.00 0.00 H new ATOM 0 HE1 PHE C 7 16.480 7.942 8.621 1.00 0.00 H new ATOM 0 HE2 PHE C 7 19.553 4.959 8.290 1.00 0.00 H new ATOM 0 HZ PHE C 7 18.529 7.082 7.520 1.00 0.00 H new ATOM 683 N LYS C 8 14.723 3.988 8.806 1.00 0.00 N ATOM 684 CA LYS C 8 14.121 4.586 7.594 1.00 0.00 C ATOM 685 C LYS C 8 12.604 4.670 7.748 1.00 0.00 C ATOM 686 O LYS C 8 12.018 5.732 7.666 1.00 0.00 O ATOM 687 CB LYS C 8 14.486 3.618 6.484 1.00 0.00 C ATOM 688 CG LYS C 8 15.637 4.175 5.643 1.00 0.00 C ATOM 689 CD LYS C 8 16.656 4.900 6.529 1.00 0.00 C ATOM 690 CE LYS C 8 17.971 5.052 5.761 1.00 0.00 C ATOM 691 NZ LYS C 8 17.793 6.279 4.937 1.00 0.00 N ATOM 0 H LYS C 8 15.438 3.281 8.635 1.00 0.00 H new ATOM 0 HA LYS C 8 14.476 5.598 7.401 1.00 0.00 H new ATOM 0 HB2 LYS C 8 14.772 2.657 6.911 1.00 0.00 H new ATOM 0 HB3 LYS C 8 13.618 3.439 5.850 1.00 0.00 H new ATOM 0 HG2 LYS C 8 16.127 3.363 5.106 1.00 0.00 H new ATOM 0 HG3 LYS C 8 15.246 4.863 4.893 1.00 0.00 H new ATOM 0 HD2 LYS C 8 16.274 5.879 6.817 1.00 0.00 H new ATOM 0 HD3 LYS C 8 16.821 4.339 7.449 1.00 0.00 H new ATOM 0 HE2 LYS C 8 18.817 5.152 6.441 1.00 0.00 H new ATOM 0 HE3 LYS C 8 18.166 4.181 5.136 1.00 0.00 H new ATOM 0 HZ1 LYS C 8 18.654 6.451 4.380 1.00 0.00 H new ATOM 0 HZ2 LYS C 8 16.985 6.152 4.295 1.00 0.00 H new ATOM 0 HZ3 LYS C 8 17.615 7.093 5.560 1.00 0.00 H new ATOM 705 N ALA C 9 11.968 3.553 7.975 1.00 0.00 N ATOM 706 CA ALA C 9 10.490 3.546 8.134 1.00 0.00 C ATOM 707 C ALA C 9 10.082 4.457 9.278 1.00 0.00 C ATOM 708 O ALA C 9 9.071 5.124 9.223 1.00 0.00 O ATOM 709 CB ALA C 9 10.143 2.097 8.466 1.00 0.00 C ATOM 0 H ALA C 9 12.414 2.640 8.057 1.00 0.00 H new ATOM 0 HA ALA C 9 9.975 3.902 7.241 1.00 0.00 H new ATOM 0 HB1 ALA C 9 9.065 2.002 8.600 1.00 0.00 H new ATOM 0 HB2 ALA C 9 10.465 1.450 7.650 1.00 0.00 H new ATOM 0 HB3 ALA C 9 10.650 1.803 9.385 1.00 0.00 H new ATOM 715 N LYS C 10 10.856 4.494 10.316 1.00 0.00 N ATOM 716 CA LYS C 10 10.513 5.359 11.452 1.00 0.00 C ATOM 717 C LYS C 10 10.445 6.815 10.990 1.00 0.00 C ATOM 718 O LYS C 10 9.406 7.442 11.025 1.00 0.00 O ATOM 719 CB LYS C 10 11.646 5.137 12.426 1.00 0.00 C ATOM 720 CG LYS C 10 11.106 5.156 13.851 1.00 0.00 C ATOM 721 CD LYS C 10 11.532 6.455 14.516 1.00 0.00 C ATOM 722 CE LYS C 10 12.895 6.255 15.177 1.00 0.00 C ATOM 723 NZ LYS C 10 12.668 6.540 16.622 1.00 0.00 N ATOM 0 H LYS C 10 11.716 3.956 10.422 1.00 0.00 H new ATOM 0 HA LYS C 10 9.543 5.136 11.897 1.00 0.00 H new ATOM 0 HB2 LYS C 10 12.132 4.183 12.223 1.00 0.00 H new ATOM 0 HB3 LYS C 10 12.402 5.912 12.303 1.00 0.00 H new ATOM 0 HG2 LYS C 10 10.019 5.074 13.844 1.00 0.00 H new ATOM 0 HG3 LYS C 10 11.487 4.302 14.411 1.00 0.00 H new ATOM 0 HD2 LYS C 10 11.586 7.255 13.778 1.00 0.00 H new ATOM 0 HD3 LYS C 10 10.794 6.756 15.260 1.00 0.00 H new ATOM 0 HE2 LYS C 10 13.261 5.239 15.028 1.00 0.00 H new ATOM 0 HE3 LYS C 10 13.641 6.928 14.754 1.00 0.00 H new ATOM 0 HZ1 LYS C 10 13.560 6.423 17.143 1.00 0.00 H new ATOM 0 HZ2 LYS C 10 12.327 7.516 16.734 1.00 0.00 H new ATOM 0 HZ3 LYS C 10 11.958 5.880 16.999 1.00 0.00 H new ATOM 737 N LYS C 11 11.541 7.355 10.548 1.00 0.00 N ATOM 738 CA LYS C 11 11.534 8.767 10.084 1.00 0.00 C ATOM 739 C LYS C 11 10.332 9.036 9.170 1.00 0.00 C ATOM 740 O LYS C 11 9.626 10.011 9.341 1.00 0.00 O ATOM 741 CB LYS C 11 12.842 8.937 9.311 1.00 0.00 C ATOM 742 CG LYS C 11 13.695 10.013 9.984 1.00 0.00 C ATOM 743 CD LYS C 11 12.971 11.359 9.913 1.00 0.00 C ATOM 744 CE LYS C 11 13.071 11.920 8.492 1.00 0.00 C ATOM 745 NZ LYS C 11 13.379 13.365 8.672 1.00 0.00 N ATOM 0 H LYS C 11 12.442 6.881 10.487 1.00 0.00 H new ATOM 0 HA LYS C 11 11.453 9.466 10.916 1.00 0.00 H new ATOM 0 HB2 LYS C 11 13.385 7.992 9.282 1.00 0.00 H new ATOM 0 HB3 LYS C 11 12.633 9.216 8.278 1.00 0.00 H new ATOM 0 HG2 LYS C 11 13.884 9.744 11.023 1.00 0.00 H new ATOM 0 HG3 LYS C 11 14.665 10.084 9.492 1.00 0.00 H new ATOM 0 HD2 LYS C 11 11.925 11.236 10.194 1.00 0.00 H new ATOM 0 HD3 LYS C 11 13.412 12.059 10.623 1.00 0.00 H new ATOM 0 HE2 LYS C 11 13.853 11.417 7.923 1.00 0.00 H new ATOM 0 HE3 LYS C 11 12.139 11.780 7.945 1.00 0.00 H new ATOM 0 HZ1 LYS C 11 13.463 13.821 7.741 1.00 0.00 H new ATOM 0 HZ2 LYS C 11 12.614 13.818 9.211 1.00 0.00 H new ATOM 0 HZ3 LYS C 11 14.275 13.467 9.190 1.00 0.00 H new ATOM 759 N LEU C 12 10.103 8.205 8.186 1.00 0.00 N ATOM 760 CA LEU C 12 8.959 8.467 7.268 1.00 0.00 C ATOM 761 C LEU C 12 7.611 8.355 7.989 1.00 0.00 C ATOM 762 O LEU C 12 6.585 8.696 7.435 1.00 0.00 O ATOM 763 CB LEU C 12 9.048 7.484 6.093 1.00 0.00 C ATOM 764 CG LEU C 12 9.327 6.057 6.550 1.00 0.00 C ATOM 765 CD1 LEU C 12 8.019 5.268 6.578 1.00 0.00 C ATOM 766 CD2 LEU C 12 10.286 5.426 5.542 1.00 0.00 C ATOM 0 H LEU C 12 10.650 7.369 7.982 1.00 0.00 H new ATOM 0 HA LEU C 12 9.021 9.491 6.899 1.00 0.00 H new ATOM 0 HB2 LEU C 12 8.114 7.507 5.532 1.00 0.00 H new ATOM 0 HB3 LEU C 12 9.836 7.806 5.413 1.00 0.00 H new ATOM 0 HG LEU C 12 9.764 6.050 7.549 1.00 0.00 H new ATOM 0 HD11 LEU C 12 8.217 4.247 6.905 1.00 0.00 H new ATOM 0 HD12 LEU C 12 7.323 5.742 7.270 1.00 0.00 H new ATOM 0 HD13 LEU C 12 7.583 5.251 5.579 1.00 0.00 H new ATOM 0 HD21 LEU C 12 10.506 4.401 5.841 1.00 0.00 H new ATOM 0 HD22 LEU C 12 9.826 5.424 4.554 1.00 0.00 H new ATOM 0 HD23 LEU C 12 11.211 6.002 5.510 1.00 0.00 H new ATOM 778 N ILE C 13 7.588 7.915 9.220 1.00 0.00 N ATOM 779 CA ILE C 13 6.269 7.840 9.930 1.00 0.00 C ATOM 780 C ILE C 13 6.365 8.389 11.341 1.00 0.00 C ATOM 781 O ILE C 13 5.814 7.844 12.276 1.00 0.00 O ATOM 782 CB ILE C 13 5.853 6.373 9.951 1.00 0.00 C ATOM 783 CG1 ILE C 13 6.961 5.527 10.561 1.00 0.00 C ATOM 784 CG2 ILE C 13 5.565 5.891 8.529 1.00 0.00 C ATOM 785 CD1 ILE C 13 6.534 5.051 11.951 1.00 0.00 C ATOM 0 H ILE C 13 8.400 7.611 9.756 1.00 0.00 H new ATOM 0 HA ILE C 13 5.529 8.448 9.410 1.00 0.00 H new ATOM 0 HB ILE C 13 4.951 6.272 10.554 1.00 0.00 H new ATOM 0 HG12 ILE C 13 7.173 4.671 9.921 1.00 0.00 H new ATOM 0 HG13 ILE C 13 7.880 6.108 10.631 1.00 0.00 H new ATOM 0 HG21 ILE C 13 5.269 4.842 8.553 1.00 0.00 H new ATOM 0 HG22 ILE C 13 4.759 6.486 8.099 1.00 0.00 H new ATOM 0 HG23 ILE C 13 6.462 6.001 7.919 1.00 0.00 H new ATOM 0 HD11 ILE C 13 7.328 4.445 12.388 1.00 0.00 H new ATOM 0 HD12 ILE C 13 6.344 5.914 12.589 1.00 0.00 H new ATOM 0 HD13 ILE C 13 5.626 4.454 11.868 1.00 0.00 H new ATOM 797 N GLU C 14 7.065 9.461 11.497 1.00 0.00 N ATOM 798 CA GLU C 14 7.224 10.067 12.828 1.00 0.00 C ATOM 799 C GLU C 14 7.041 11.587 12.752 1.00 0.00 C ATOM 800 O GLU C 14 6.517 12.148 13.699 1.00 0.00 O ATOM 801 CB GLU C 14 8.645 9.703 13.195 1.00 0.00 C ATOM 802 CG GLU C 14 8.728 8.192 13.362 1.00 0.00 C ATOM 803 CD GLU C 14 8.489 7.819 14.827 1.00 0.00 C ATOM 804 OE1 GLU C 14 8.119 8.697 15.589 1.00 0.00 O ATOM 805 OE2 GLU C 14 8.680 6.661 15.161 1.00 0.00 O ATOM 806 OXT GLU C 14 7.427 12.160 11.747 1.00 0.00 O ATOM 0 H GLU C 14 7.543 9.953 10.742 1.00 0.00 H new ATOM 0 HA GLU C 14 6.493 9.719 13.558 1.00 0.00 H new ATOM 0 HB2 GLU C 14 9.334 10.037 12.419 1.00 0.00 H new ATOM 0 HB3 GLU C 14 8.938 10.203 14.118 1.00 0.00 H new ATOM 0 HG2 GLU C 14 7.987 7.705 12.728 1.00 0.00 H new ATOM 0 HG3 GLU C 14 9.706 7.835 13.041 1.00 0.00 H new ATOM 826 N TYR D 2 25.418 -2.287 1.447 1.00 0.00 N ATOM 827 CA TYR D 2 24.709 -1.317 0.584 1.00 0.00 C ATOM 828 C TYR D 2 23.979 -2.121 -0.484 1.00 0.00 C ATOM 829 O TYR D 2 22.866 -1.826 -0.848 1.00 0.00 O ATOM 830 CB TYR D 2 25.801 -0.413 -0.006 1.00 0.00 C ATOM 831 CG TYR D 2 26.211 -0.943 -1.351 1.00 0.00 C ATOM 832 CD1 TYR D 2 25.371 -0.750 -2.449 1.00 0.00 C ATOM 833 CD2 TYR D 2 27.402 -1.651 -1.491 1.00 0.00 C ATOM 834 CE1 TYR D 2 25.720 -1.263 -3.694 1.00 0.00 C ATOM 835 CE2 TYR D 2 27.760 -2.169 -2.736 1.00 0.00 C ATOM 836 CZ TYR D 2 26.918 -1.976 -3.843 1.00 0.00 C ATOM 837 OH TYR D 2 27.270 -2.487 -5.076 1.00 0.00 O ATOM 0 HA TYR D 2 23.974 -0.702 1.103 1.00 0.00 H new ATOM 0 HB2 TYR D 2 25.432 0.608 -0.102 1.00 0.00 H new ATOM 0 HB3 TYR D 2 26.662 -0.379 0.662 1.00 0.00 H new ATOM 0 HD1 TYR D 2 24.448 -0.201 -2.332 1.00 0.00 H new ATOM 0 HD2 TYR D 2 28.047 -1.799 -0.638 1.00 0.00 H new ATOM 0 HE1 TYR D 2 25.070 -1.113 -4.543 1.00 0.00 H new ATOM 0 HE2 TYR D 2 28.683 -2.718 -2.848 1.00 0.00 H new ATOM 0 HH TYR D 2 28.130 -2.952 -5.004 1.00 0.00 H new ATOM 847 N LEU D 3 24.608 -3.160 -0.965 1.00 0.00 N ATOM 848 CA LEU D 3 23.967 -4.026 -1.970 1.00 0.00 C ATOM 849 C LEU D 3 22.526 -4.258 -1.551 1.00 0.00 C ATOM 850 O LEU D 3 21.600 -4.130 -2.327 1.00 0.00 O ATOM 851 CB LEU D 3 24.755 -5.313 -1.885 1.00 0.00 C ATOM 852 CG LEU D 3 24.726 -5.991 -3.226 1.00 0.00 C ATOM 853 CD1 LEU D 3 26.153 -6.270 -3.694 1.00 0.00 C ATOM 854 CD2 LEU D 3 23.945 -7.296 -3.100 1.00 0.00 C ATOM 0 H LEU D 3 25.551 -3.441 -0.694 1.00 0.00 H new ATOM 0 HA LEU D 3 23.960 -3.612 -2.978 1.00 0.00 H new ATOM 0 HB2 LEU D 3 25.784 -5.106 -1.589 1.00 0.00 H new ATOM 0 HB3 LEU D 3 24.329 -5.966 -1.123 1.00 0.00 H new ATOM 0 HG LEU D 3 24.241 -5.347 -3.960 1.00 0.00 H new ATOM 0 HD11 LEU D 3 26.127 -6.762 -4.667 1.00 0.00 H new ATOM 0 HD12 LEU D 3 26.699 -5.330 -3.777 1.00 0.00 H new ATOM 0 HD13 LEU D 3 26.652 -6.918 -2.973 1.00 0.00 H new ATOM 0 HD21 LEU D 3 23.917 -7.798 -4.067 1.00 0.00 H new ATOM 0 HD22 LEU D 3 24.432 -7.942 -2.370 1.00 0.00 H new ATOM 0 HD23 LEU D 3 22.928 -7.081 -2.773 1.00 0.00 H new ATOM 866 N ARG D 4 22.341 -4.564 -0.301 1.00 0.00 N ATOM 867 CA ARG D 4 20.966 -4.769 0.219 1.00 0.00 C ATOM 868 C ARG D 4 20.107 -3.620 -0.287 1.00 0.00 C ATOM 869 O ARG D 4 18.962 -3.785 -0.654 1.00 0.00 O ATOM 870 CB ARG D 4 21.098 -4.722 1.744 1.00 0.00 C ATOM 871 CG ARG D 4 22.294 -5.572 2.185 1.00 0.00 C ATOM 872 CD ARG D 4 23.449 -4.656 2.609 1.00 0.00 C ATOM 873 NE ARG D 4 24.635 -5.553 2.685 1.00 0.00 N ATOM 874 CZ ARG D 4 24.939 -6.139 3.810 1.00 0.00 C ATOM 875 NH1 ARG D 4 24.014 -6.357 4.705 1.00 0.00 N ATOM 876 NH2 ARG D 4 26.169 -6.505 4.043 1.00 0.00 N ATOM 0 H ARG D 4 23.086 -4.681 0.385 1.00 0.00 H new ATOM 0 HA ARG D 4 20.511 -5.707 -0.099 1.00 0.00 H new ATOM 0 HB2 ARG D 4 21.229 -3.692 2.076 1.00 0.00 H new ATOM 0 HB3 ARG D 4 20.185 -5.093 2.209 1.00 0.00 H new ATOM 0 HG2 ARG D 4 22.007 -6.219 3.014 1.00 0.00 H new ATOM 0 HG3 ARG D 4 22.612 -6.221 1.369 1.00 0.00 H new ATOM 0 HD2 ARG D 4 23.604 -3.855 1.887 1.00 0.00 H new ATOM 0 HD3 ARG D 4 23.247 -4.184 3.571 1.00 0.00 H new ATOM 0 HE ARG D 4 25.210 -5.709 1.857 1.00 0.00 H new ATOM 0 HH11 ARG D 4 23.052 -6.069 4.525 1.00 0.00 H new ATOM 0 HH12 ARG D 4 24.253 -6.815 5.584 1.00 0.00 H new ATOM 0 HH21 ARG D 4 26.893 -6.333 3.346 1.00 0.00 H new ATOM 0 HH22 ARG D 4 26.407 -6.963 4.923 1.00 0.00 H new ATOM 890 N ARG D 5 20.684 -2.452 -0.323 1.00 0.00 N ATOM 891 CA ARG D 5 19.950 -1.258 -0.826 1.00 0.00 C ATOM 892 C ARG D 5 20.054 -1.176 -2.356 1.00 0.00 C ATOM 893 O ARG D 5 19.197 -0.623 -3.015 1.00 0.00 O ATOM 894 CB ARG D 5 20.627 -0.055 -0.139 1.00 0.00 C ATOM 895 CG ARG D 5 21.638 0.620 -1.077 1.00 0.00 C ATOM 896 CD ARG D 5 22.746 1.273 -0.245 1.00 0.00 C ATOM 897 NE ARG D 5 22.427 2.728 -0.259 1.00 0.00 N ATOM 898 CZ ARG D 5 22.873 3.504 0.689 1.00 0.00 C ATOM 899 NH1 ARG D 5 22.244 3.568 1.830 1.00 0.00 N ATOM 900 NH2 ARG D 5 23.950 4.218 0.494 1.00 0.00 N ATOM 0 H ARG D 5 21.642 -2.272 -0.023 1.00 0.00 H new ATOM 0 HA ARG D 5 18.884 -1.292 -0.599 1.00 0.00 H new ATOM 0 HB2 ARG D 5 19.870 0.668 0.165 1.00 0.00 H new ATOM 0 HB3 ARG D 5 21.133 -0.387 0.768 1.00 0.00 H new ATOM 0 HG2 ARG D 5 22.065 -0.115 -1.759 1.00 0.00 H new ATOM 0 HG3 ARG D 5 21.138 1.370 -1.690 1.00 0.00 H new ATOM 0 HD2 ARG D 5 22.760 0.881 0.772 1.00 0.00 H new ATOM 0 HD3 ARG D 5 23.729 1.080 -0.674 1.00 0.00 H new ATOM 0 HE ARG D 5 21.859 3.118 -1.011 1.00 0.00 H new ATOM 0 HH11 ARG D 5 21.403 3.011 1.981 1.00 0.00 H new ATOM 0 HH12 ARG D 5 22.593 4.175 2.571 1.00 0.00 H new ATOM 0 HH21 ARG D 5 24.440 4.168 -0.399 1.00 0.00 H new ATOM 0 HH22 ARG D 5 24.300 4.826 1.235 1.00 0.00 H new ATOM 914 N PHE D 6 21.098 -1.720 -2.924 1.00 0.00 N ATOM 915 CA PHE D 6 21.252 -1.666 -4.406 1.00 0.00 C ATOM 916 C PHE D 6 20.431 -2.779 -5.068 1.00 0.00 C ATOM 917 O PHE D 6 19.771 -2.567 -6.066 1.00 0.00 O ATOM 918 CB PHE D 6 22.760 -1.831 -4.645 1.00 0.00 C ATOM 919 CG PHE D 6 23.043 -2.817 -5.739 1.00 0.00 C ATOM 920 CD1 PHE D 6 22.952 -4.182 -5.482 1.00 0.00 C ATOM 921 CD2 PHE D 6 23.410 -2.361 -7.004 1.00 0.00 C ATOM 922 CE1 PHE D 6 23.226 -5.099 -6.492 1.00 0.00 C ATOM 923 CE2 PHE D 6 23.687 -3.273 -8.017 1.00 0.00 C ATOM 924 CZ PHE D 6 23.596 -4.647 -7.765 1.00 0.00 C ATOM 0 H PHE D 6 21.849 -2.198 -2.426 1.00 0.00 H new ATOM 0 HA PHE D 6 20.885 -0.736 -4.841 1.00 0.00 H new ATOM 0 HB2 PHE D 6 23.195 -0.866 -4.903 1.00 0.00 H new ATOM 0 HB3 PHE D 6 23.241 -2.161 -3.724 1.00 0.00 H new ATOM 0 HD1 PHE D 6 22.669 -4.529 -4.499 1.00 0.00 H new ATOM 0 HD2 PHE D 6 23.479 -1.301 -7.197 1.00 0.00 H new ATOM 0 HE1 PHE D 6 23.153 -6.158 -6.295 1.00 0.00 H new ATOM 0 HE2 PHE D 6 23.972 -2.921 -8.998 1.00 0.00 H new ATOM 0 HZ PHE D 6 23.811 -5.357 -8.550 1.00 0.00 H new ATOM 934 N PHE D 7 20.474 -3.967 -4.528 1.00 0.00 N ATOM 935 CA PHE D 7 19.709 -5.083 -5.133 1.00 0.00 C ATOM 936 C PHE D 7 18.215 -4.934 -4.821 1.00 0.00 C ATOM 937 O PHE D 7 17.368 -5.363 -5.580 1.00 0.00 O ATOM 938 CB PHE D 7 20.314 -6.360 -4.522 1.00 0.00 C ATOM 939 CG PHE D 7 19.463 -6.884 -3.384 1.00 0.00 C ATOM 940 CD1 PHE D 7 18.226 -7.483 -3.654 1.00 0.00 C ATOM 941 CD2 PHE D 7 19.917 -6.782 -2.062 1.00 0.00 C ATOM 942 CE1 PHE D 7 17.441 -7.977 -2.604 1.00 0.00 C ATOM 943 CE2 PHE D 7 19.130 -7.279 -1.013 1.00 0.00 C ATOM 944 CZ PHE D 7 17.893 -7.876 -1.285 1.00 0.00 C ATOM 0 H PHE D 7 21.008 -4.208 -3.693 1.00 0.00 H new ATOM 0 HA PHE D 7 19.779 -5.105 -6.221 1.00 0.00 H new ATOM 0 HB2 PHE D 7 20.406 -7.126 -5.292 1.00 0.00 H new ATOM 0 HB3 PHE D 7 21.320 -6.150 -4.159 1.00 0.00 H new ATOM 0 HD1 PHE D 7 17.877 -7.564 -4.673 1.00 0.00 H new ATOM 0 HD2 PHE D 7 20.871 -6.322 -1.852 1.00 0.00 H new ATOM 0 HE1 PHE D 7 16.486 -8.436 -2.814 1.00 0.00 H new ATOM 0 HE2 PHE D 7 19.479 -7.201 0.006 1.00 0.00 H new ATOM 0 HZ PHE D 7 17.288 -8.258 -0.476 1.00 0.00 H new ATOM 954 N LYS D 8 17.885 -4.327 -3.714 1.00 0.00 N ATOM 955 CA LYS D 8 16.471 -4.145 -3.355 1.00 0.00 C ATOM 956 C LYS D 8 15.750 -3.375 -4.469 1.00 0.00 C ATOM 957 O LYS D 8 14.705 -3.779 -4.941 1.00 0.00 O ATOM 958 CB LYS D 8 16.565 -3.364 -2.047 1.00 0.00 C ATOM 959 CG LYS D 8 15.567 -2.214 -2.011 1.00 0.00 C ATOM 960 CD LYS D 8 14.146 -2.767 -1.880 1.00 0.00 C ATOM 961 CE LYS D 8 14.028 -3.567 -0.579 1.00 0.00 C ATOM 962 NZ LYS D 8 12.565 -3.769 -0.373 1.00 0.00 N ATOM 0 H LYS D 8 18.552 -3.948 -3.041 1.00 0.00 H new ATOM 0 HA LYS D 8 15.899 -5.065 -3.238 1.00 0.00 H new ATOM 0 HB2 LYS D 8 16.380 -4.034 -1.208 1.00 0.00 H new ATOM 0 HB3 LYS D 8 17.576 -2.974 -1.927 1.00 0.00 H new ATOM 0 HG2 LYS D 8 15.789 -1.553 -1.173 1.00 0.00 H new ATOM 0 HG3 LYS D 8 15.653 -1.617 -2.919 1.00 0.00 H new ATOM 0 HD2 LYS D 8 13.424 -1.950 -1.884 1.00 0.00 H new ATOM 0 HD3 LYS D 8 13.912 -3.403 -2.733 1.00 0.00 H new ATOM 0 HE2 LYS D 8 14.550 -4.521 -0.655 1.00 0.00 H new ATOM 0 HE3 LYS D 8 14.472 -3.026 0.257 1.00 0.00 H new ATOM 0 HZ1 LYS D 8 12.338 -3.657 0.636 1.00 0.00 H new ATOM 0 HZ2 LYS D 8 12.036 -3.066 -0.927 1.00 0.00 H new ATOM 0 HZ3 LYS D 8 12.299 -4.725 -0.684 1.00 0.00 H new ATOM 976 N ALA D 9 16.311 -2.279 -4.904 1.00 0.00 N ATOM 977 CA ALA D 9 15.673 -1.499 -5.989 1.00 0.00 C ATOM 978 C ALA D 9 15.763 -2.290 -7.292 1.00 0.00 C ATOM 979 O ALA D 9 14.998 -2.091 -8.214 1.00 0.00 O ATOM 980 CB ALA D 9 16.482 -0.204 -6.081 1.00 0.00 C ATOM 0 H ALA D 9 17.187 -1.894 -4.550 1.00 0.00 H new ATOM 0 HA ALA D 9 14.619 -1.294 -5.802 1.00 0.00 H new ATOM 0 HB1 ALA D 9 16.068 0.429 -6.866 1.00 0.00 H new ATOM 0 HB2 ALA D 9 16.435 0.323 -5.128 1.00 0.00 H new ATOM 0 HB3 ALA D 9 17.520 -0.439 -6.314 1.00 0.00 H new ATOM 986 N LYS D 10 16.701 -3.192 -7.365 1.00 0.00 N ATOM 987 CA LYS D 10 16.864 -4.011 -8.582 1.00 0.00 C ATOM 988 C LYS D 10 15.662 -4.935 -8.766 1.00 0.00 C ATOM 989 O LYS D 10 14.913 -4.811 -9.715 1.00 0.00 O ATOM 990 CB LYS D 10 18.127 -4.812 -8.325 1.00 0.00 C ATOM 991 CG LYS D 10 18.871 -5.035 -9.639 1.00 0.00 C ATOM 992 CD LYS D 10 19.826 -3.867 -9.889 1.00 0.00 C ATOM 993 CE LYS D 10 21.000 -4.340 -10.752 1.00 0.00 C ATOM 994 NZ LYS D 10 21.753 -3.101 -11.104 1.00 0.00 N ATOM 0 H LYS D 10 17.367 -3.394 -6.619 1.00 0.00 H new ATOM 0 HA LYS D 10 16.932 -3.411 -9.489 1.00 0.00 H new ATOM 0 HB2 LYS D 10 18.767 -4.283 -7.619 1.00 0.00 H new ATOM 0 HB3 LYS D 10 17.875 -5.771 -7.871 1.00 0.00 H new ATOM 0 HG2 LYS D 10 19.427 -5.972 -9.600 1.00 0.00 H new ATOM 0 HG3 LYS D 10 18.161 -5.120 -10.461 1.00 0.00 H new ATOM 0 HD2 LYS D 10 19.299 -3.054 -10.388 1.00 0.00 H new ATOM 0 HD3 LYS D 10 20.193 -3.475 -8.941 1.00 0.00 H new ATOM 0 HE2 LYS D 10 21.631 -5.042 -10.207 1.00 0.00 H new ATOM 0 HE3 LYS D 10 20.649 -4.854 -11.646 1.00 0.00 H new ATOM 0 HZ1 LYS D 10 22.225 -3.230 -12.022 1.00 0.00 H new ATOM 0 HZ2 LYS D 10 21.093 -2.299 -11.164 1.00 0.00 H new ATOM 0 HZ3 LYS D 10 22.466 -2.909 -10.372 1.00 0.00 H new ATOM 1008 N LYS D 11 15.467 -5.861 -7.866 1.00 0.00 N ATOM 1009 CA LYS D 11 14.311 -6.788 -7.993 1.00 0.00 C ATOM 1010 C LYS D 11 13.060 -6.006 -8.400 1.00 0.00 C ATOM 1011 O LYS D 11 12.217 -6.493 -9.127 1.00 0.00 O ATOM 1012 CB LYS D 11 14.136 -7.394 -6.600 1.00 0.00 C ATOM 1013 CG LYS D 11 14.696 -8.818 -6.587 1.00 0.00 C ATOM 1014 CD LYS D 11 13.726 -9.758 -7.305 1.00 0.00 C ATOM 1015 CE LYS D 11 13.613 -11.068 -6.524 1.00 0.00 C ATOM 1016 NZ LYS D 11 13.200 -12.084 -7.532 1.00 0.00 N ATOM 0 H LYS D 11 16.059 -6.014 -7.050 1.00 0.00 H new ATOM 0 HA LYS D 11 14.471 -7.554 -8.751 1.00 0.00 H new ATOM 0 HB2 LYS D 11 14.651 -6.783 -5.859 1.00 0.00 H new ATOM 0 HB3 LYS D 11 13.081 -7.405 -6.327 1.00 0.00 H new ATOM 0 HG2 LYS D 11 15.670 -8.841 -7.076 1.00 0.00 H new ATOM 0 HG3 LYS D 11 14.847 -9.151 -5.560 1.00 0.00 H new ATOM 0 HD2 LYS D 11 12.746 -9.289 -7.393 1.00 0.00 H new ATOM 0 HD3 LYS D 11 14.077 -9.955 -8.318 1.00 0.00 H new ATOM 0 HE2 LYS D 11 14.563 -11.335 -6.061 1.00 0.00 H new ATOM 0 HE3 LYS D 11 12.879 -10.987 -5.722 1.00 0.00 H new ATOM 0 HZ1 LYS D 11 13.102 -13.011 -7.071 1.00 0.00 H new ATOM 0 HZ2 LYS D 11 12.289 -11.807 -7.951 1.00 0.00 H new ATOM 0 HZ3 LYS D 11 13.921 -12.144 -8.280 1.00 0.00 H new ATOM 1030 N LEU D 12 12.937 -4.795 -7.931 1.00 0.00 N ATOM 1031 CA LEU D 12 11.749 -3.974 -8.281 1.00 0.00 C ATOM 1032 C LEU D 12 11.682 -3.750 -9.793 1.00 0.00 C ATOM 1033 O LEU D 12 10.685 -3.296 -10.316 1.00 0.00 O ATOM 1034 CB LEU D 12 11.958 -2.647 -7.553 1.00 0.00 C ATOM 1035 CG LEU D 12 11.464 -2.772 -6.112 1.00 0.00 C ATOM 1036 CD1 LEU D 12 11.600 -1.422 -5.406 1.00 0.00 C ATOM 1037 CD2 LEU D 12 9.995 -3.201 -6.110 1.00 0.00 C ATOM 0 H LEU D 12 13.612 -4.339 -7.318 1.00 0.00 H new ATOM 0 HA LEU D 12 10.816 -4.457 -7.992 1.00 0.00 H new ATOM 0 HB2 LEU D 12 13.014 -2.376 -7.564 1.00 0.00 H new ATOM 0 HB3 LEU D 12 11.419 -1.850 -8.065 1.00 0.00 H new ATOM 0 HG LEU D 12 12.062 -3.518 -5.588 1.00 0.00 H new ATOM 0 HD11 LEU D 12 11.248 -1.512 -4.378 1.00 0.00 H new ATOM 0 HD12 LEU D 12 12.646 -1.115 -5.405 1.00 0.00 H new ATOM 0 HD13 LEU D 12 11.003 -0.675 -5.930 1.00 0.00 H new ATOM 0 HD21 LEU D 12 9.643 -3.290 -5.082 1.00 0.00 H new ATOM 0 HD22 LEU D 12 9.398 -2.455 -6.635 1.00 0.00 H new ATOM 0 HD23 LEU D 12 9.896 -4.164 -6.612 1.00 0.00 H new ATOM 1049 N ILE D 13 12.736 -4.059 -10.500 1.00 0.00 N ATOM 1050 CA ILE D 13 12.718 -3.852 -11.978 1.00 0.00 C ATOM 1051 C ILE D 13 13.593 -4.868 -12.684 1.00 0.00 C ATOM 1052 O ILE D 13 14.383 -4.543 -13.547 1.00 0.00 O ATOM 1053 CB ILE D 13 13.246 -2.437 -12.216 1.00 0.00 C ATOM 1054 CG1 ILE D 13 14.416 -2.134 -11.275 1.00 0.00 C ATOM 1055 CG2 ILE D 13 12.127 -1.425 -11.976 1.00 0.00 C ATOM 1056 CD1 ILE D 13 15.732 -2.281 -12.040 1.00 0.00 C ATOM 0 H ILE D 13 13.602 -4.443 -10.122 1.00 0.00 H new ATOM 0 HA ILE D 13 11.711 -3.977 -12.375 1.00 0.00 H new ATOM 0 HB ILE D 13 13.595 -2.365 -13.246 1.00 0.00 H new ATOM 0 HG12 ILE D 13 14.325 -1.124 -10.877 1.00 0.00 H new ATOM 0 HG13 ILE D 13 14.399 -2.815 -10.424 1.00 0.00 H new ATOM 0 HG21 ILE D 13 12.505 -0.417 -12.146 1.00 0.00 H new ATOM 0 HG22 ILE D 13 11.303 -1.624 -12.662 1.00 0.00 H new ATOM 0 HG23 ILE D 13 11.773 -1.511 -10.949 1.00 0.00 H new ATOM 0 HD11 ILE D 13 16.567 -2.066 -11.373 1.00 0.00 H new ATOM 0 HD12 ILE D 13 15.822 -3.300 -12.417 1.00 0.00 H new ATOM 0 HD13 ILE D 13 15.747 -1.582 -12.876 1.00 0.00 H new ATOM 1068 N GLU D 14 13.464 -6.096 -12.311 1.00 0.00 N ATOM 1069 CA GLU D 14 14.280 -7.154 -12.924 1.00 0.00 C ATOM 1070 C GLU D 14 13.409 -8.352 -13.313 1.00 0.00 C ATOM 1071 O GLU D 14 12.198 -8.217 -13.273 1.00 0.00 O ATOM 1072 CB GLU D 14 15.243 -7.514 -11.814 1.00 0.00 C ATOM 1073 CG GLU D 14 16.118 -6.301 -11.512 1.00 0.00 C ATOM 1074 CD GLU D 14 17.368 -6.333 -12.393 1.00 0.00 C ATOM 1075 OE1 GLU D 14 17.310 -5.796 -13.488 1.00 0.00 O ATOM 1076 OE2 GLU D 14 18.362 -6.891 -11.959 1.00 0.00 O ATOM 1077 OXT GLU D 14 13.970 -9.386 -13.641 1.00 0.00 O ATOM 0 H GLU D 14 12.814 -6.416 -11.593 1.00 0.00 H new ATOM 0 HA GLU D 14 14.779 -6.846 -13.843 1.00 0.00 H new ATOM 0 HB2 GLU D 14 14.695 -7.816 -10.922 1.00 0.00 H new ATOM 0 HB3 GLU D 14 15.861 -8.361 -12.110 1.00 0.00 H new ATOM 0 HG2 GLU D 14 15.558 -5.383 -11.692 1.00 0.00 H new ATOM 0 HG3 GLU D 14 16.403 -6.299 -10.460 1.00 0.00 H new