USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 622 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 Single : A 6 TYR OH : rot 4:sc= 0.591 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.292 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 14 GLN : amide:sc= -0.212 K(o=-0.21,f=-0.89) USER MOD Single : A 15 SER OG : rot -162:sc= 0.535 USER MOD Single : A 19 GLN : amide:sc= -2.8 K(o=-2.8,f=-9.6!) USER MOD Single : A 24 LYS NZ :NH3+ 135:sc= -2.43! (180deg=-6.41!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.424 USER MOD Single : A 37 LYS NZ :NH3+ -159:sc= -0.235 (180deg=-1.02) USER MOD Single : A 46 LYS NZ :NH3+ -158:sc= 0.824 (180deg=0.565) USER MOD Single : A 53 MET CE :methyl -163:sc= 0 (180deg=-0.129) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.809 K(o=-0.81,f=-0.062) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 -3.068 11.716 5.866 1.00 0.00 N ATOM 19 CA ARG A 2 -4.131 10.855 6.462 1.00 0.00 C ATOM 20 C ARG A 2 -3.683 9.392 6.417 1.00 0.00 C ATOM 21 O ARG A 2 -2.834 9.017 5.631 1.00 0.00 O ATOM 22 CB ARG A 2 -5.431 11.022 5.661 1.00 0.00 C ATOM 23 CG ARG A 2 -6.425 11.889 6.446 1.00 0.00 C ATOM 24 CD ARG A 2 -6.484 13.293 5.836 1.00 0.00 C ATOM 25 NE ARG A 2 -5.597 14.214 6.612 1.00 0.00 N ATOM 26 CZ ARG A 2 -5.713 15.524 6.516 1.00 0.00 C ATOM 27 NH1 ARG A 2 -6.612 16.080 5.736 1.00 0.00 N ATOM 28 NH2 ARG A 2 -4.915 16.286 7.213 1.00 0.00 N ATOM 0 HA ARG A 2 -4.304 11.149 7.497 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.217 11.483 4.697 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.870 10.045 5.457 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -7.414 11.432 6.426 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.122 11.949 7.491 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -6.169 13.261 4.793 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -7.509 13.663 5.848 1.00 0.00 H new ATOM 0 HE ARG A 2 -4.887 13.820 7.229 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.242 15.496 5.186 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -6.680 17.096 5.680 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -4.213 15.867 7.822 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -4.994 17.301 7.148 1.00 0.00 H new ATOM 42 N LEU A 3 -4.253 8.566 7.256 1.00 0.00 N ATOM 43 CA LEU A 3 -3.875 7.122 7.272 1.00 0.00 C ATOM 44 C LEU A 3 -4.945 6.314 6.540 1.00 0.00 C ATOM 45 O LEU A 3 -5.874 5.809 7.142 1.00 0.00 O ATOM 46 CB LEU A 3 -3.773 6.640 8.721 1.00 0.00 C ATOM 47 CG LEU A 3 -2.640 7.386 9.429 1.00 0.00 C ATOM 48 CD1 LEU A 3 -3.193 8.656 10.076 1.00 0.00 C ATOM 49 CD2 LEU A 3 -2.035 6.485 10.508 1.00 0.00 C ATOM 0 H LEU A 3 -4.967 8.831 7.934 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.913 6.988 6.777 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.716 6.812 9.240 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.587 5.566 8.746 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.871 7.653 8.705 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.387 9.188 10.581 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.626 9.297 9.308 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.962 8.390 10.802 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.228 7.015 11.014 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.804 6.219 11.233 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.642 5.579 10.047 1.00 0.00 H new ATOM 61 N PHE A 4 -4.823 6.195 5.242 1.00 0.00 N ATOM 62 CA PHE A 4 -5.833 5.428 4.457 1.00 0.00 C ATOM 63 C PHE A 4 -5.391 3.963 4.374 1.00 0.00 C ATOM 64 O PHE A 4 -4.215 3.662 4.465 1.00 0.00 O ATOM 65 CB PHE A 4 -5.931 6.029 3.044 1.00 0.00 C ATOM 66 CG PHE A 4 -7.288 6.670 2.861 1.00 0.00 C ATOM 67 CD1 PHE A 4 -8.394 5.884 2.524 1.00 0.00 C ATOM 68 CD2 PHE A 4 -7.435 8.053 3.033 1.00 0.00 C ATOM 69 CE1 PHE A 4 -9.651 6.478 2.360 1.00 0.00 C ATOM 70 CE2 PHE A 4 -8.692 8.647 2.871 1.00 0.00 C ATOM 71 CZ PHE A 4 -9.800 7.859 2.535 1.00 0.00 C ATOM 0 H PHE A 4 -4.064 6.598 4.692 1.00 0.00 H new ATOM 0 HA PHE A 4 -6.809 5.483 4.940 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.145 6.769 2.897 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.781 5.251 2.295 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.279 4.819 2.390 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -6.579 8.660 3.290 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -10.505 5.871 2.099 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -8.807 9.712 3.005 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.770 8.317 2.411 1.00 0.00 H new ATOM 81 N GLY A 5 -6.320 3.051 4.213 1.00 0.00 N ATOM 82 CA GLY A 5 -5.944 1.607 4.136 1.00 0.00 C ATOM 83 C GLY A 5 -6.820 0.881 3.109 1.00 0.00 C ATOM 84 O GLY A 5 -7.987 1.181 2.943 1.00 0.00 O ATOM 0 H GLY A 5 -7.318 3.245 4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.894 1.512 3.859 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.059 1.142 5.115 1.00 0.00 H new ATOM 88 N TYR A 6 -6.251 -0.080 2.426 1.00 0.00 N ATOM 89 CA TYR A 6 -7.017 -0.855 1.407 1.00 0.00 C ATOM 90 C TYR A 6 -7.273 -2.270 1.953 1.00 0.00 C ATOM 91 O TYR A 6 -6.476 -2.803 2.702 1.00 0.00 O ATOM 92 CB TYR A 6 -6.183 -0.918 0.114 1.00 0.00 C ATOM 93 CG TYR A 6 -6.844 -1.814 -0.912 1.00 0.00 C ATOM 94 CD1 TYR A 6 -7.991 -1.382 -1.587 1.00 0.00 C ATOM 95 CD2 TYR A 6 -6.302 -3.075 -1.185 1.00 0.00 C ATOM 96 CE1 TYR A 6 -8.596 -2.216 -2.535 1.00 0.00 C ATOM 97 CE2 TYR A 6 -6.907 -3.906 -2.133 1.00 0.00 C ATOM 98 CZ TYR A 6 -8.055 -3.478 -2.808 1.00 0.00 C ATOM 99 OH TYR A 6 -8.654 -4.298 -3.743 1.00 0.00 O ATOM 0 H TYR A 6 -5.277 -0.363 2.534 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.974 -0.380 1.193 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -6.064 0.085 -0.296 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.184 -1.291 0.339 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -8.408 -0.408 -1.377 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.416 -3.406 -0.663 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -9.482 -1.885 -3.057 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.488 -4.879 -2.344 1.00 0.00 H new ATOM 0 HH TYR A 6 -9.402 -3.824 -4.163 1.00 0.00 H new ATOM 109 N ALA A 7 -8.378 -2.876 1.585 1.00 0.00 N ATOM 110 CA ALA A 7 -8.682 -4.251 2.087 1.00 0.00 C ATOM 111 C ALA A 7 -9.434 -5.050 1.017 1.00 0.00 C ATOM 112 O ALA A 7 -9.889 -4.512 0.026 1.00 0.00 O ATOM 113 CB ALA A 7 -9.548 -4.157 3.348 1.00 0.00 C ATOM 0 H ALA A 7 -9.079 -2.478 0.961 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.745 -4.757 2.319 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.769 -5.160 3.713 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.012 -3.601 4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.480 -3.643 3.112 1.00 0.00 H new ATOM 119 N ARG A 8 -9.566 -6.335 1.222 1.00 0.00 N ATOM 120 CA ARG A 8 -10.287 -7.202 0.244 1.00 0.00 C ATOM 121 C ARG A 8 -10.502 -8.577 0.881 1.00 0.00 C ATOM 122 O ARG A 8 -9.565 -9.328 1.073 1.00 0.00 O ATOM 123 CB ARG A 8 -9.451 -7.349 -1.032 1.00 0.00 C ATOM 124 CG ARG A 8 -10.233 -8.164 -2.070 1.00 0.00 C ATOM 125 CD ARG A 8 -9.989 -7.592 -3.468 1.00 0.00 C ATOM 126 NE ARG A 8 -8.519 -7.478 -3.713 1.00 0.00 N ATOM 127 CZ ARG A 8 -8.043 -7.145 -4.897 1.00 0.00 C ATOM 128 NH1 ARG A 8 -8.837 -6.903 -5.915 1.00 0.00 N ATOM 129 NH2 ARG A 8 -6.752 -7.054 -5.063 1.00 0.00 N ATOM 0 H ARG A 8 -9.199 -6.827 2.037 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.247 -6.755 -0.014 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.208 -6.366 -1.435 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.506 -7.842 -0.805 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.923 -9.208 -2.035 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -11.298 -8.140 -1.838 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.444 -8.236 -4.220 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.460 -6.613 -3.559 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.870 -7.662 -2.948 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.848 -6.971 -5.800 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.442 -6.647 -6.820 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.123 -7.240 -4.282 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.372 -6.797 -5.974 1.00 0.00 H new ATOM 143 N VAL A 9 -11.723 -8.903 1.223 1.00 0.00 N ATOM 144 CA VAL A 9 -11.999 -10.221 1.873 1.00 0.00 C ATOM 145 C VAL A 9 -11.530 -11.374 0.981 1.00 0.00 C ATOM 146 O VAL A 9 -11.635 -11.325 -0.229 1.00 0.00 O ATOM 147 CB VAL A 9 -13.502 -10.363 2.153 1.00 0.00 C ATOM 148 CG1 VAL A 9 -13.954 -9.218 3.059 1.00 0.00 C ATOM 149 CG2 VAL A 9 -14.299 -10.328 0.838 1.00 0.00 C ATOM 0 H VAL A 9 -12.542 -8.312 1.080 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.449 -10.262 2.813 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.684 -11.319 2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -15.021 -9.314 3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -13.402 -9.257 3.998 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -13.762 -8.266 2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.362 -10.430 1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -14.121 -9.380 0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.979 -11.149 0.197 1.00 0.00 H new ATOM 159 N SER A 10 -11.018 -12.410 1.587 1.00 0.00 N ATOM 160 CA SER A 10 -10.542 -13.585 0.804 1.00 0.00 C ATOM 161 C SER A 10 -11.294 -14.840 1.264 1.00 0.00 C ATOM 162 O SER A 10 -11.562 -15.731 0.480 1.00 0.00 O ATOM 163 CB SER A 10 -9.042 -13.774 1.029 1.00 0.00 C ATOM 164 OG SER A 10 -8.452 -14.301 -0.152 1.00 0.00 O ATOM 0 H SER A 10 -10.908 -12.493 2.598 1.00 0.00 H new ATOM 0 HA SER A 10 -10.729 -13.418 -0.257 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.579 -12.822 1.287 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.871 -14.449 1.867 1.00 0.00 H new ATOM 0 HG SER A 10 -7.490 -14.422 -0.011 1.00 0.00 H new ATOM 170 N THR A 11 -11.637 -14.917 2.529 1.00 0.00 N ATOM 171 CA THR A 11 -12.371 -16.109 3.043 1.00 0.00 C ATOM 172 C THR A 11 -13.873 -15.813 3.089 1.00 0.00 C ATOM 173 O THR A 11 -14.300 -14.693 2.883 1.00 0.00 O ATOM 174 CB THR A 11 -11.869 -16.456 4.455 1.00 0.00 C ATOM 175 OG1 THR A 11 -12.576 -17.590 4.936 1.00 0.00 O ATOM 176 CG2 THR A 11 -12.094 -15.273 5.408 1.00 0.00 C ATOM 0 H THR A 11 -11.437 -14.200 3.227 1.00 0.00 H new ATOM 0 HA THR A 11 -12.192 -16.954 2.378 1.00 0.00 H new ATOM 0 HB THR A 11 -10.802 -16.673 4.410 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.258 -17.816 5.835 1.00 0.00 H new ATOM 0 HG21 THR A 11 -11.734 -15.534 6.403 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.550 -14.402 5.042 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.158 -15.042 5.456 1.00 0.00 H new ATOM 184 N SER A 12 -14.671 -16.809 3.370 1.00 0.00 N ATOM 185 CA SER A 12 -16.145 -16.598 3.448 1.00 0.00 C ATOM 186 C SER A 12 -16.511 -16.124 4.857 1.00 0.00 C ATOM 187 O SER A 12 -17.480 -15.414 5.049 1.00 0.00 O ATOM 188 CB SER A 12 -16.866 -17.913 3.147 1.00 0.00 C ATOM 189 OG SER A 12 -16.820 -18.167 1.749 1.00 0.00 O ATOM 0 H SER A 12 -14.363 -17.765 3.550 1.00 0.00 H new ATOM 0 HA SER A 12 -16.447 -15.846 2.719 1.00 0.00 H new ATOM 0 HB2 SER A 12 -16.396 -18.731 3.692 1.00 0.00 H new ATOM 0 HB3 SER A 12 -17.901 -17.859 3.484 1.00 0.00 H new ATOM 0 HG SER A 12 -17.280 -19.010 1.554 1.00 0.00 H new ATOM 195 N GLN A 13 -15.739 -16.512 5.841 1.00 0.00 N ATOM 196 CA GLN A 13 -16.028 -16.093 7.243 1.00 0.00 C ATOM 197 C GLN A 13 -15.882 -14.569 7.361 1.00 0.00 C ATOM 198 O GLN A 13 -15.943 -13.856 6.376 1.00 0.00 O ATOM 199 CB GLN A 13 -15.044 -16.792 8.191 1.00 0.00 C ATOM 200 CG GLN A 13 -15.790 -17.302 9.427 1.00 0.00 C ATOM 201 CD GLN A 13 -14.802 -17.980 10.378 1.00 0.00 C ATOM 202 OE1 GLN A 13 -13.662 -17.572 10.481 1.00 0.00 O ATOM 203 NE2 GLN A 13 -15.194 -19.007 11.081 1.00 0.00 N ATOM 0 H GLN A 13 -14.916 -17.105 5.731 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.046 -16.374 7.512 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -14.559 -17.623 7.679 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -14.257 -16.099 8.490 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -16.287 -16.474 9.932 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -16.567 -18.007 9.130 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -16.151 -19.349 10.994 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -14.543 -19.468 11.717 1.00 0.00 H new ATOM 212 N GLN A 14 -15.700 -14.068 8.558 1.00 0.00 N ATOM 213 CA GLN A 14 -15.562 -12.594 8.753 1.00 0.00 C ATOM 214 C GLN A 14 -14.216 -12.110 8.198 1.00 0.00 C ATOM 215 O GLN A 14 -13.351 -11.674 8.935 1.00 0.00 O ATOM 216 CB GLN A 14 -15.654 -12.270 10.247 1.00 0.00 C ATOM 217 CG GLN A 14 -14.554 -13.014 11.013 1.00 0.00 C ATOM 218 CD GLN A 14 -15.094 -13.477 12.369 1.00 0.00 C ATOM 219 OE1 GLN A 14 -16.210 -13.947 12.463 1.00 0.00 O ATOM 220 NE2 GLN A 14 -14.344 -13.361 13.430 1.00 0.00 N ATOM 0 H GLN A 14 -15.641 -14.622 9.413 1.00 0.00 H new ATOM 0 HA GLN A 14 -16.364 -12.085 8.218 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.553 -11.196 10.402 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.633 -12.557 10.630 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.211 -13.872 10.435 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.693 -12.362 11.157 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -13.407 -12.966 13.351 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -14.695 -13.665 14.338 1.00 0.00 H new ATOM 229 N SER A 15 -14.038 -12.176 6.904 1.00 0.00 N ATOM 230 CA SER A 15 -12.754 -11.716 6.299 1.00 0.00 C ATOM 231 C SER A 15 -12.652 -10.191 6.411 1.00 0.00 C ATOM 232 O SER A 15 -11.677 -9.665 6.911 1.00 0.00 O ATOM 233 CB SER A 15 -12.688 -12.135 4.822 1.00 0.00 C ATOM 234 OG SER A 15 -13.946 -12.656 4.410 1.00 0.00 O ATOM 0 H SER A 15 -14.727 -12.529 6.240 1.00 0.00 H new ATOM 0 HA SER A 15 -11.922 -12.175 6.834 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.419 -11.279 4.204 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.910 -12.886 4.682 1.00 0.00 H new ATOM 0 HG SER A 15 -13.831 -13.179 3.589 1.00 0.00 H new ATOM 240 N LEU A 16 -13.653 -9.477 5.953 1.00 0.00 N ATOM 241 CA LEU A 16 -13.628 -7.978 6.023 1.00 0.00 C ATOM 242 C LEU A 16 -13.299 -7.521 7.456 1.00 0.00 C ATOM 243 O LEU A 16 -12.613 -6.537 7.658 1.00 0.00 O ATOM 244 CB LEU A 16 -15.005 -7.435 5.580 1.00 0.00 C ATOM 245 CG LEU A 16 -15.147 -5.937 5.909 1.00 0.00 C ATOM 246 CD1 LEU A 16 -15.758 -5.200 4.715 1.00 0.00 C ATOM 247 CD2 LEU A 16 -16.056 -5.762 7.129 1.00 0.00 C ATOM 0 H LEU A 16 -14.494 -9.871 5.530 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.856 -7.588 5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -15.131 -7.588 4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -15.797 -7.996 6.077 1.00 0.00 H new ATOM 0 HG LEU A 16 -14.161 -5.525 6.125 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -15.856 -4.141 4.953 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -15.112 -5.318 3.845 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.742 -5.615 4.496 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -16.155 -4.701 7.360 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -17.039 -6.180 6.913 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -15.622 -6.280 7.984 1.00 0.00 H new ATOM 259 N ASP A 17 -13.786 -8.228 8.441 1.00 0.00 N ATOM 260 CA ASP A 17 -13.506 -7.841 9.852 1.00 0.00 C ATOM 261 C ASP A 17 -12.023 -8.064 10.159 1.00 0.00 C ATOM 262 O ASP A 17 -11.380 -7.237 10.779 1.00 0.00 O ATOM 263 CB ASP A 17 -14.357 -8.694 10.792 1.00 0.00 C ATOM 264 CG ASP A 17 -14.743 -7.870 12.021 1.00 0.00 C ATOM 265 OD1 ASP A 17 -13.862 -7.252 12.596 1.00 0.00 O ATOM 266 OD2 ASP A 17 -15.913 -7.873 12.367 1.00 0.00 O ATOM 0 H ASP A 17 -14.367 -9.059 8.327 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.751 -6.789 9.996 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.253 -9.039 10.276 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.803 -9.582 11.096 1.00 0.00 H new ATOM 271 N ILE A 18 -11.481 -9.176 9.733 1.00 0.00 N ATOM 272 CA ILE A 18 -10.041 -9.467 9.999 1.00 0.00 C ATOM 273 C ILE A 18 -9.163 -8.528 9.167 1.00 0.00 C ATOM 274 O ILE A 18 -8.111 -8.103 9.610 1.00 0.00 O ATOM 275 CB ILE A 18 -9.737 -10.923 9.628 1.00 0.00 C ATOM 276 CG1 ILE A 18 -10.690 -11.856 10.384 1.00 0.00 C ATOM 277 CG2 ILE A 18 -8.291 -11.260 10.008 1.00 0.00 C ATOM 278 CD1 ILE A 18 -11.056 -13.047 9.495 1.00 0.00 C ATOM 0 H ILE A 18 -11.977 -9.898 9.210 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.829 -9.311 11.057 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.872 -11.055 8.555 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.219 -12.206 11.303 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.591 -11.315 10.674 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.077 -12.296 9.743 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.610 -10.600 9.470 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.156 -11.124 11.081 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.733 -13.709 10.034 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.544 -12.688 8.589 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.151 -13.593 9.228 1.00 0.00 H new ATOM 290 N GLN A 19 -9.581 -8.196 7.968 1.00 0.00 N ATOM 291 CA GLN A 19 -8.757 -7.276 7.120 1.00 0.00 C ATOM 292 C GLN A 19 -8.717 -5.903 7.785 1.00 0.00 C ATOM 293 O GLN A 19 -7.664 -5.323 7.956 1.00 0.00 O ATOM 294 CB GLN A 19 -9.336 -7.138 5.698 1.00 0.00 C ATOM 295 CG GLN A 19 -9.918 -8.473 5.205 1.00 0.00 C ATOM 296 CD GLN A 19 -9.303 -8.847 3.854 1.00 0.00 C ATOM 297 OE1 GLN A 19 -8.887 -7.987 3.103 1.00 0.00 O ATOM 298 NE2 GLN A 19 -9.225 -10.105 3.513 1.00 0.00 N ATOM 0 H GLN A 19 -10.450 -8.519 7.543 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.754 -7.694 7.032 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.114 -6.374 5.691 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.555 -6.804 5.015 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.718 -9.258 5.934 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.001 -8.394 5.111 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.574 -10.827 4.143 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.815 -10.366 2.616 1.00 0.00 H new ATOM 307 N VAL A 20 -9.858 -5.382 8.180 1.00 0.00 N ATOM 308 CA VAL A 20 -9.891 -4.044 8.854 1.00 0.00 C ATOM 309 C VAL A 20 -8.920 -4.054 10.043 1.00 0.00 C ATOM 310 O VAL A 20 -8.111 -3.159 10.201 1.00 0.00 O ATOM 311 CB VAL A 20 -11.317 -3.761 9.344 1.00 0.00 C ATOM 312 CG1 VAL A 20 -11.366 -2.411 10.065 1.00 0.00 C ATOM 313 CG2 VAL A 20 -12.268 -3.728 8.143 1.00 0.00 C ATOM 0 H VAL A 20 -10.768 -5.828 8.064 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.592 -3.265 8.152 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.620 -4.547 10.036 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -12.382 -2.219 10.409 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.691 -2.431 10.921 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.060 -1.621 9.379 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.282 -3.527 8.488 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -11.957 -2.943 7.454 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.242 -4.690 7.632 1.00 0.00 H new ATOM 323 N ARG A 21 -8.984 -5.075 10.859 1.00 0.00 N ATOM 324 CA ARG A 21 -8.052 -5.174 12.026 1.00 0.00 C ATOM 325 C ARG A 21 -6.614 -5.170 11.499 1.00 0.00 C ATOM 326 O ARG A 21 -5.711 -4.649 12.124 1.00 0.00 O ATOM 327 CB ARG A 21 -8.303 -6.484 12.792 1.00 0.00 C ATOM 328 CG ARG A 21 -9.810 -6.691 13.023 1.00 0.00 C ATOM 329 CD ARG A 21 -10.115 -6.736 14.524 1.00 0.00 C ATOM 330 NE ARG A 21 -10.427 -8.143 14.925 1.00 0.00 N ATOM 331 CZ ARG A 21 -10.499 -8.496 16.195 1.00 0.00 C ATOM 332 NH1 ARG A 21 -10.296 -7.631 17.162 1.00 0.00 N ATOM 333 NH2 ARG A 21 -10.776 -9.736 16.496 1.00 0.00 N ATOM 0 H ARG A 21 -9.644 -5.848 10.768 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.217 -4.332 12.699 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.896 -7.325 12.230 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.782 -6.458 13.749 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.371 -5.882 12.555 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.133 -7.619 12.551 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.261 -6.365 15.091 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.958 -6.085 14.755 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.587 -8.844 14.202 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.077 -6.660 16.940 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.358 -7.930 18.135 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.934 -10.418 15.754 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.835 -10.023 17.473 1.00 0.00 H new ATOM 347 N ALA A 22 -6.411 -5.742 10.339 1.00 0.00 N ATOM 348 CA ALA A 22 -5.050 -5.773 9.737 1.00 0.00 C ATOM 349 C ALA A 22 -4.645 -4.348 9.354 1.00 0.00 C ATOM 350 O ALA A 22 -3.496 -3.967 9.475 1.00 0.00 O ATOM 351 CB ALA A 22 -5.071 -6.658 8.489 1.00 0.00 C ATOM 0 H ALA A 22 -7.138 -6.191 9.782 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.333 -6.177 10.452 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.076 -6.684 8.044 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.372 -7.669 8.765 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.780 -6.253 7.767 1.00 0.00 H new ATOM 357 N LEU A 23 -5.588 -3.557 8.903 1.00 0.00 N ATOM 358 CA LEU A 23 -5.270 -2.151 8.520 1.00 0.00 C ATOM 359 C LEU A 23 -5.060 -1.327 9.790 1.00 0.00 C ATOM 360 O LEU A 23 -4.106 -0.580 9.905 1.00 0.00 O ATOM 361 CB LEU A 23 -6.429 -1.551 7.713 1.00 0.00 C ATOM 362 CG LEU A 23 -6.806 -2.485 6.560 1.00 0.00 C ATOM 363 CD1 LEU A 23 -8.019 -1.918 5.821 1.00 0.00 C ATOM 364 CD2 LEU A 23 -5.631 -2.604 5.586 1.00 0.00 C ATOM 0 H LEU A 23 -6.564 -3.827 8.784 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.367 -2.137 7.910 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.291 -1.395 8.361 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.143 -0.575 7.322 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.047 -3.470 6.960 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.288 -2.582 5.000 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.859 -1.835 6.511 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.776 -0.932 5.425 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.903 -3.270 4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.387 -1.619 5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.764 -3.008 6.109 1.00 0.00 H new ATOM 376 N LYS A 24 -5.946 -1.462 10.748 1.00 0.00 N ATOM 377 CA LYS A 24 -5.805 -0.692 12.022 1.00 0.00 C ATOM 378 C LYS A 24 -4.494 -1.088 12.703 1.00 0.00 C ATOM 379 O LYS A 24 -3.768 -0.251 13.204 1.00 0.00 O ATOM 380 CB LYS A 24 -6.994 -1.007 12.943 1.00 0.00 C ATOM 381 CG LYS A 24 -7.866 0.240 13.111 1.00 0.00 C ATOM 382 CD LYS A 24 -8.755 0.409 11.877 1.00 0.00 C ATOM 383 CE LYS A 24 -9.993 -0.480 12.012 1.00 0.00 C ATOM 384 NZ LYS A 24 -10.703 -0.162 13.284 1.00 0.00 N ATOM 0 H LYS A 24 -6.761 -2.073 10.701 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.793 0.377 11.812 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.585 -1.821 12.523 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.633 -1.343 13.915 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.481 0.149 14.006 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.238 1.121 13.244 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.053 1.452 11.771 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.200 0.143 10.977 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.659 -0.324 11.163 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.702 -1.530 11.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.725 -0.091 13.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.526 -0.916 13.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.355 0.743 13.659 1.00 0.00 H new ATOM 398 N ASP A 25 -4.176 -2.359 12.700 1.00 0.00 N ATOM 399 CA ASP A 25 -2.903 -2.820 13.316 1.00 0.00 C ATOM 400 C ASP A 25 -1.743 -2.178 12.557 1.00 0.00 C ATOM 401 O ASP A 25 -0.720 -1.839 13.120 1.00 0.00 O ATOM 402 CB ASP A 25 -2.808 -4.338 13.192 1.00 0.00 C ATOM 403 CG ASP A 25 -1.922 -4.893 14.308 1.00 0.00 C ATOM 404 OD1 ASP A 25 -0.712 -4.800 14.179 1.00 0.00 O ATOM 405 OD2 ASP A 25 -2.467 -5.400 15.275 1.00 0.00 O ATOM 0 H ASP A 25 -4.750 -3.098 12.294 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.867 -2.539 14.369 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.803 -4.780 13.251 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.396 -4.608 12.220 1.00 0.00 H new ATOM 410 N ALA A 26 -1.919 -2.010 11.275 1.00 0.00 N ATOM 411 CA ALA A 26 -0.866 -1.387 10.435 1.00 0.00 C ATOM 412 C ALA A 26 -0.800 0.110 10.741 1.00 0.00 C ATOM 413 O ALA A 26 0.248 0.723 10.668 1.00 0.00 O ATOM 414 CB ALA A 26 -1.237 -1.588 8.965 1.00 0.00 C ATOM 0 H ALA A 26 -2.762 -2.283 10.770 1.00 0.00 H new ATOM 0 HA ALA A 26 0.102 -1.842 10.643 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.473 -1.136 8.332 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.303 -2.654 8.749 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.199 -1.117 8.765 1.00 0.00 H new ATOM 420 N GLY A 27 -1.921 0.701 11.070 1.00 0.00 N ATOM 421 CA GLY A 27 -1.947 2.161 11.372 1.00 0.00 C ATOM 422 C GLY A 27 -2.945 2.829 10.432 1.00 0.00 C ATOM 423 O GLY A 27 -2.676 3.867 9.858 1.00 0.00 O ATOM 0 H GLY A 27 -2.823 0.231 11.142 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.233 2.329 12.410 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.955 2.593 11.241 1.00 0.00 H new ATOM 427 N VAL A 28 -4.089 2.225 10.264 1.00 0.00 N ATOM 428 CA VAL A 28 -5.123 2.788 9.356 1.00 0.00 C ATOM 429 C VAL A 28 -6.357 3.176 10.179 1.00 0.00 C ATOM 430 O VAL A 28 -6.691 2.531 11.154 1.00 0.00 O ATOM 431 CB VAL A 28 -5.488 1.720 8.313 1.00 0.00 C ATOM 432 CG1 VAL A 28 -6.598 2.229 7.389 1.00 0.00 C ATOM 433 CG2 VAL A 28 -4.253 1.392 7.475 1.00 0.00 C ATOM 0 H VAL A 28 -4.353 1.354 10.724 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.747 3.676 8.848 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.840 0.828 8.832 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.843 1.460 6.657 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.484 2.464 7.979 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.258 3.126 6.872 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.507 0.635 6.734 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.907 2.293 6.969 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.463 1.014 8.124 1.00 0.00 H new ATOM 443 N LYS A 29 -7.035 4.224 9.783 1.00 0.00 N ATOM 444 CA LYS A 29 -8.251 4.662 10.527 1.00 0.00 C ATOM 445 C LYS A 29 -9.446 3.815 10.077 1.00 0.00 C ATOM 446 O LYS A 29 -9.583 3.495 8.912 1.00 0.00 O ATOM 447 CB LYS A 29 -8.520 6.145 10.227 1.00 0.00 C ATOM 448 CG LYS A 29 -8.322 6.979 11.497 1.00 0.00 C ATOM 449 CD LYS A 29 -7.720 8.337 11.131 1.00 0.00 C ATOM 450 CE LYS A 29 -8.089 9.364 12.202 1.00 0.00 C ATOM 451 NZ LYS A 29 -6.996 10.371 12.322 1.00 0.00 N ATOM 0 H LYS A 29 -6.796 4.796 8.973 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.100 4.533 11.599 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.847 6.494 9.444 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.536 6.271 9.854 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.276 7.118 12.005 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.665 6.454 12.190 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.636 8.256 11.048 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.091 8.661 10.158 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.025 9.857 11.941 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.247 8.867 13.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.246 11.070 13.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.112 9.893 12.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.866 10.853 11.410 1.00 0.00 H new ATOM 465 N ALA A 30 -10.310 3.450 10.993 1.00 0.00 N ATOM 466 CA ALA A 30 -11.498 2.624 10.619 1.00 0.00 C ATOM 467 C ALA A 30 -12.374 3.409 9.642 1.00 0.00 C ATOM 468 O ALA A 30 -13.012 2.845 8.775 1.00 0.00 O ATOM 469 CB ALA A 30 -12.304 2.282 11.875 1.00 0.00 C ATOM 0 H ALA A 30 -10.243 3.689 11.982 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.164 1.700 10.146 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.170 1.680 11.599 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.677 1.721 12.568 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.640 3.202 12.354 1.00 0.00 H new ATOM 475 N ASN A 31 -12.397 4.710 9.775 1.00 0.00 N ATOM 476 CA ASN A 31 -13.214 5.547 8.858 1.00 0.00 C ATOM 477 C ASN A 31 -12.606 5.499 7.449 1.00 0.00 C ATOM 478 O ASN A 31 -13.288 5.718 6.466 1.00 0.00 O ATOM 479 CB ASN A 31 -13.218 6.992 9.377 1.00 0.00 C ATOM 480 CG ASN A 31 -14.654 7.516 9.445 1.00 0.00 C ATOM 481 OD1 ASN A 31 -15.053 8.338 8.645 1.00 0.00 O ATOM 482 ND2 ASN A 31 -15.450 7.069 10.377 1.00 0.00 N ATOM 0 H ASN A 31 -11.880 5.228 10.485 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.236 5.171 8.818 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.759 7.034 10.365 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.621 7.625 8.721 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.410 7.410 10.435 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.113 6.379 11.048 1.00 0.00 H new ATOM 489 N ARG A 32 -11.328 5.214 7.347 1.00 0.00 N ATOM 490 CA ARG A 32 -10.673 5.152 6.004 1.00 0.00 C ATOM 491 C ARG A 32 -10.320 3.695 5.685 1.00 0.00 C ATOM 492 O ARG A 32 -9.174 3.355 5.453 1.00 0.00 O ATOM 493 CB ARG A 32 -9.392 6.010 5.986 1.00 0.00 C ATOM 494 CG ARG A 32 -9.571 7.275 6.834 1.00 0.00 C ATOM 495 CD ARG A 32 -8.418 8.243 6.558 1.00 0.00 C ATOM 496 NE ARG A 32 -8.336 9.249 7.662 1.00 0.00 N ATOM 497 CZ ARG A 32 -9.227 10.214 7.783 1.00 0.00 C ATOM 498 NH1 ARG A 32 -10.226 10.336 6.939 1.00 0.00 N ATOM 499 NH2 ARG A 32 -9.113 11.067 8.763 1.00 0.00 N ATOM 0 H ARG A 32 -10.712 5.022 8.137 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.362 5.542 5.254 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.553 5.427 6.367 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.148 6.286 4.960 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.523 7.751 6.600 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.596 7.015 7.892 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.479 7.695 6.481 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.572 8.746 5.604 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.574 9.187 8.337 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.326 9.676 6.168 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.902 11.091 7.054 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.341 10.983 9.425 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.795 11.818 8.868 1.00 0.00 H new ATOM 513 N ILE A 33 -11.305 2.835 5.667 1.00 0.00 N ATOM 514 CA ILE A 33 -11.051 1.396 5.362 1.00 0.00 C ATOM 515 C ILE A 33 -11.711 1.048 4.024 1.00 0.00 C ATOM 516 O ILE A 33 -12.789 0.482 3.986 1.00 0.00 O ATOM 517 CB ILE A 33 -11.647 0.528 6.481 1.00 0.00 C ATOM 518 CG1 ILE A 33 -10.980 0.891 7.817 1.00 0.00 C ATOM 519 CG2 ILE A 33 -11.434 -0.965 6.175 1.00 0.00 C ATOM 520 CD1 ILE A 33 -9.479 0.574 7.768 1.00 0.00 C ATOM 0 H ILE A 33 -12.280 3.070 5.852 1.00 0.00 H new ATOM 0 HA ILE A 33 -9.979 1.210 5.298 1.00 0.00 H new ATOM 0 HB ILE A 33 -12.719 0.717 6.545 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -11.128 1.950 8.029 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -11.450 0.335 8.628 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -11.862 -1.566 6.978 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.922 -1.217 5.233 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -10.367 -1.172 6.097 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.020 0.837 8.721 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.338 -0.490 7.578 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -9.011 1.150 6.970 1.00 0.00 H new ATOM 532 N PHE A 34 -11.073 1.380 2.930 1.00 0.00 N ATOM 533 CA PHE A 34 -11.662 1.066 1.596 1.00 0.00 C ATOM 534 C PHE A 34 -11.418 -0.412 1.281 1.00 0.00 C ATOM 535 O PHE A 34 -10.530 -0.760 0.526 1.00 0.00 O ATOM 536 CB PHE A 34 -11.008 1.952 0.525 1.00 0.00 C ATOM 537 CG PHE A 34 -12.041 2.889 -0.060 1.00 0.00 C ATOM 538 CD1 PHE A 34 -13.220 2.373 -0.611 1.00 0.00 C ATOM 539 CD2 PHE A 34 -11.823 4.273 -0.046 1.00 0.00 C ATOM 540 CE1 PHE A 34 -14.180 3.238 -1.148 1.00 0.00 C ATOM 541 CE2 PHE A 34 -12.783 5.137 -0.583 1.00 0.00 C ATOM 542 CZ PHE A 34 -13.962 4.621 -1.133 1.00 0.00 C ATOM 0 H PHE A 34 -10.170 1.855 2.905 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.734 1.261 1.605 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -10.190 2.524 0.962 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.578 1.332 -0.262 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -13.389 1.306 -0.622 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.914 4.672 0.379 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -15.089 2.839 -1.574 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.614 6.204 -0.573 1.00 0.00 H new ATOM 0 HZ PHE A 34 -14.703 5.289 -1.546 1.00 0.00 H new ATOM 552 N THR A 35 -12.202 -1.279 1.867 1.00 0.00 N ATOM 553 CA THR A 35 -12.031 -2.739 1.625 1.00 0.00 C ATOM 554 C THR A 35 -12.761 -3.143 0.341 1.00 0.00 C ATOM 555 O THR A 35 -13.473 -2.357 -0.254 1.00 0.00 O ATOM 556 CB THR A 35 -12.611 -3.521 2.809 1.00 0.00 C ATOM 557 OG1 THR A 35 -12.516 -4.913 2.545 1.00 0.00 O ATOM 558 CG2 THR A 35 -14.081 -3.141 3.021 1.00 0.00 C ATOM 0 H THR A 35 -12.958 -1.035 2.507 1.00 0.00 H new ATOM 0 HA THR A 35 -10.970 -2.964 1.520 1.00 0.00 H new ATOM 0 HB THR A 35 -12.047 -3.277 3.709 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.885 -5.415 3.301 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.484 -3.702 3.864 1.00 0.00 H new ATOM 0 HG22 THR A 35 -14.155 -2.073 3.227 1.00 0.00 H new ATOM 0 HG23 THR A 35 -14.651 -3.377 2.123 1.00 0.00 H new ATOM 566 N ASP A 36 -12.588 -4.369 -0.078 1.00 0.00 N ATOM 567 CA ASP A 36 -13.266 -4.851 -1.317 1.00 0.00 C ATOM 568 C ASP A 36 -14.030 -6.133 -0.996 1.00 0.00 C ATOM 569 O ASP A 36 -13.438 -7.174 -0.780 1.00 0.00 O ATOM 570 CB ASP A 36 -12.220 -5.143 -2.394 1.00 0.00 C ATOM 571 CG ASP A 36 -11.439 -3.868 -2.710 1.00 0.00 C ATOM 572 OD1 ASP A 36 -11.018 -3.212 -1.773 1.00 0.00 O ATOM 573 OD2 ASP A 36 -11.277 -3.569 -3.880 1.00 0.00 O ATOM 0 H ASP A 36 -12.002 -5.062 0.388 1.00 0.00 H new ATOM 0 HA ASP A 36 -13.954 -4.087 -1.680 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.540 -5.923 -2.052 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.706 -5.517 -3.295 1.00 0.00 H new ATOM 578 N LYS A 37 -15.336 -6.067 -0.958 1.00 0.00 N ATOM 579 CA LYS A 37 -16.139 -7.283 -0.645 1.00 0.00 C ATOM 580 C LYS A 37 -16.016 -8.284 -1.798 1.00 0.00 C ATOM 581 O LYS A 37 -16.896 -8.405 -2.627 1.00 0.00 O ATOM 582 CB LYS A 37 -17.605 -6.894 -0.449 1.00 0.00 C ATOM 583 CG LYS A 37 -17.721 -5.883 0.697 1.00 0.00 C ATOM 584 CD LYS A 37 -17.411 -6.565 2.037 1.00 0.00 C ATOM 585 CE LYS A 37 -18.483 -7.613 2.347 1.00 0.00 C ATOM 586 NZ LYS A 37 -19.834 -6.994 2.235 1.00 0.00 N ATOM 0 H LYS A 37 -15.880 -5.222 -1.131 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.766 -7.741 0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.003 -6.464 -1.368 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.200 -7.780 -0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.031 -5.055 0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.726 -5.461 0.719 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.429 -7.037 1.997 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.375 -5.822 2.834 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -18.397 -8.451 1.655 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -18.337 -8.012 3.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -20.522 -7.562 2.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -19.807 -6.029 2.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -20.118 -6.959 1.235 1.00 0.00 H new ATOM 600 N ALA A 38 -14.923 -9.002 -1.848 1.00 0.00 N ATOM 601 CA ALA A 38 -14.711 -10.005 -2.932 1.00 0.00 C ATOM 602 C ALA A 38 -15.523 -11.271 -2.628 1.00 0.00 C ATOM 603 O ALA A 38 -14.981 -12.356 -2.503 1.00 0.00 O ATOM 604 CB ALA A 38 -13.220 -10.356 -3.006 1.00 0.00 C ATOM 0 H ALA A 38 -14.160 -8.934 -1.175 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.038 -9.590 -3.885 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.058 -11.089 -3.796 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.645 -9.456 -3.222 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.897 -10.773 -2.052 1.00 0.00 H new ATOM 661 N ASP A 44 -15.166 -7.928 -6.121 1.00 0.00 N ATOM 662 CA ASP A 44 -15.673 -6.524 -6.124 1.00 0.00 C ATOM 663 C ASP A 44 -14.493 -5.552 -6.043 1.00 0.00 C ATOM 664 O ASP A 44 -14.136 -5.088 -4.977 1.00 0.00 O ATOM 665 CB ASP A 44 -16.591 -6.309 -4.919 1.00 0.00 C ATOM 666 CG ASP A 44 -17.628 -5.235 -5.252 1.00 0.00 C ATOM 667 OD1 ASP A 44 -18.353 -5.418 -6.216 1.00 0.00 O ATOM 668 OD2 ASP A 44 -17.678 -4.247 -4.538 1.00 0.00 O ATOM 0 HA ASP A 44 -16.230 -6.344 -7.043 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -17.090 -7.242 -4.657 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -16.005 -6.007 -4.051 1.00 0.00 H new ATOM 673 N ARG A 45 -13.892 -5.240 -7.163 1.00 0.00 N ATOM 674 CA ARG A 45 -12.736 -4.294 -7.159 1.00 0.00 C ATOM 675 C ARG A 45 -13.256 -2.857 -7.051 1.00 0.00 C ATOM 676 O ARG A 45 -13.184 -2.085 -7.990 1.00 0.00 O ATOM 677 CB ARG A 45 -11.933 -4.461 -8.451 1.00 0.00 C ATOM 678 CG ARG A 45 -11.032 -5.691 -8.339 1.00 0.00 C ATOM 679 CD ARG A 45 -10.902 -6.357 -9.709 1.00 0.00 C ATOM 680 NE ARG A 45 -10.440 -5.349 -10.712 1.00 0.00 N ATOM 681 CZ ARG A 45 -10.217 -5.682 -11.970 1.00 0.00 C ATOM 682 NH1 ARG A 45 -10.393 -6.910 -12.398 1.00 0.00 N ATOM 683 NH2 ARG A 45 -9.814 -4.767 -12.809 1.00 0.00 N ATOM 0 H ARG A 45 -14.153 -5.600 -8.081 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.090 -4.508 -6.307 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.609 -4.569 -9.300 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -11.330 -3.571 -8.634 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.048 -5.401 -7.969 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -11.449 -6.395 -7.619 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.195 -7.185 -9.657 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.861 -6.776 -10.014 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.294 -4.383 -10.418 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.710 -7.634 -11.753 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.213 -7.140 -13.375 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.675 -3.808 -12.490 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.638 -5.011 -13.784 1.00 0.00 H new ATOM 697 N LYS A 46 -13.782 -2.497 -5.907 1.00 0.00 N ATOM 698 CA LYS A 46 -14.310 -1.113 -5.719 1.00 0.00 C ATOM 699 C LYS A 46 -13.428 -0.343 -4.730 1.00 0.00 C ATOM 700 O LYS A 46 -13.448 0.873 -4.693 1.00 0.00 O ATOM 701 CB LYS A 46 -15.737 -1.186 -5.172 1.00 0.00 C ATOM 702 CG LYS A 46 -16.653 -1.824 -6.217 1.00 0.00 C ATOM 703 CD LYS A 46 -18.108 -1.470 -5.907 1.00 0.00 C ATOM 704 CE LYS A 46 -18.958 -1.650 -7.166 1.00 0.00 C ATOM 705 NZ LYS A 46 -19.561 -3.014 -7.168 1.00 0.00 N ATOM 0 H LYS A 46 -13.868 -3.105 -5.093 1.00 0.00 H new ATOM 0 HA LYS A 46 -14.306 -0.596 -6.679 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.755 -1.770 -4.252 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.093 -0.187 -4.922 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -16.386 -1.471 -7.213 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -16.523 -2.906 -6.217 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.485 -2.107 -5.107 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -18.175 -0.441 -5.554 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -19.742 -0.894 -7.199 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -18.344 -1.511 -8.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -19.814 -3.280 -8.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -18.875 -3.697 -6.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -20.416 -3.017 -6.575 1.00 0.00 H new ATOM 719 N GLY A 47 -12.659 -1.039 -3.924 1.00 0.00 N ATOM 720 CA GLY A 47 -11.781 -0.346 -2.932 1.00 0.00 C ATOM 721 C GLY A 47 -10.822 0.608 -3.650 1.00 0.00 C ATOM 722 O GLY A 47 -10.851 1.802 -3.427 1.00 0.00 O ATOM 0 H GLY A 47 -12.603 -2.057 -3.912 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.392 0.209 -2.220 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.214 -1.081 -2.361 1.00 0.00 H new ATOM 726 N LEU A 48 -9.978 0.089 -4.509 1.00 0.00 N ATOM 727 CA LEU A 48 -9.015 0.987 -5.238 1.00 0.00 C ATOM 728 C LEU A 48 -9.784 1.787 -6.292 1.00 0.00 C ATOM 729 O LEU A 48 -9.409 2.891 -6.634 1.00 0.00 O ATOM 730 CB LEU A 48 -7.848 0.223 -5.929 1.00 0.00 C ATOM 731 CG LEU A 48 -8.119 -1.280 -6.082 1.00 0.00 C ATOM 732 CD1 LEU A 48 -9.334 -1.497 -6.994 1.00 0.00 C ATOM 733 CD2 LEU A 48 -6.888 -1.951 -6.700 1.00 0.00 C ATOM 0 H LEU A 48 -9.911 -0.903 -4.738 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.562 1.638 -4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.671 0.656 -6.913 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.936 0.364 -5.350 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.324 -1.716 -5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.523 -2.565 -7.100 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.208 -1.015 -6.556 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.135 -1.065 -7.975 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.073 -3.019 -6.812 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.688 -1.513 -7.678 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.026 -1.798 -6.051 1.00 0.00 H new ATOM 745 N ASP A 49 -10.868 1.244 -6.799 1.00 0.00 N ATOM 746 CA ASP A 49 -11.673 1.982 -7.822 1.00 0.00 C ATOM 747 C ASP A 49 -12.126 3.325 -7.237 1.00 0.00 C ATOM 748 O ASP A 49 -12.297 4.297 -7.948 1.00 0.00 O ATOM 749 CB ASP A 49 -12.901 1.150 -8.201 1.00 0.00 C ATOM 750 CG ASP A 49 -13.219 1.352 -9.685 1.00 0.00 C ATOM 751 OD1 ASP A 49 -12.287 1.385 -10.471 1.00 0.00 O ATOM 752 OD2 ASP A 49 -14.389 1.471 -10.008 1.00 0.00 O ATOM 0 H ASP A 49 -11.228 0.323 -6.548 1.00 0.00 H new ATOM 0 HA ASP A 49 -11.065 2.157 -8.710 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.715 0.095 -7.999 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -13.755 1.445 -7.592 1.00 0.00 H new ATOM 757 N LEU A 50 -12.305 3.379 -5.941 1.00 0.00 N ATOM 758 CA LEU A 50 -12.728 4.648 -5.286 1.00 0.00 C ATOM 759 C LEU A 50 -11.540 5.236 -4.518 1.00 0.00 C ATOM 760 O LEU A 50 -11.445 6.434 -4.333 1.00 0.00 O ATOM 761 CB LEU A 50 -13.880 4.368 -4.317 1.00 0.00 C ATOM 762 CG LEU A 50 -14.990 3.606 -5.046 1.00 0.00 C ATOM 763 CD1 LEU A 50 -15.993 3.065 -4.025 1.00 0.00 C ATOM 764 CD2 LEU A 50 -15.709 4.548 -6.014 1.00 0.00 C ATOM 0 H LEU A 50 -12.174 2.591 -5.307 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.063 5.358 -6.043 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.521 3.785 -3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -14.269 5.305 -3.918 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.553 2.777 -5.603 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -16.783 2.522 -4.544 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -15.483 2.392 -3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -16.428 3.895 -3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.499 4.004 -6.532 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -16.145 5.378 -5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -14.996 4.934 -6.743 1.00 0.00 H new ATOM 776 N LEU A 51 -10.622 4.403 -4.083 1.00 0.00 N ATOM 777 CA LEU A 51 -9.430 4.916 -3.341 1.00 0.00 C ATOM 778 C LEU A 51 -8.637 5.841 -4.264 1.00 0.00 C ATOM 779 O LEU A 51 -8.040 6.805 -3.829 1.00 0.00 O ATOM 780 CB LEU A 51 -8.543 3.741 -2.910 1.00 0.00 C ATOM 781 CG LEU A 51 -7.591 4.189 -1.798 1.00 0.00 C ATOM 782 CD1 LEU A 51 -8.306 4.118 -0.448 1.00 0.00 C ATOM 783 CD2 LEU A 51 -6.368 3.271 -1.771 1.00 0.00 C ATOM 0 H LEU A 51 -10.649 3.391 -4.211 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.754 5.461 -2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.163 2.915 -2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.973 3.372 -3.763 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.275 5.215 -1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.626 4.438 0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.177 4.773 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.625 3.093 -0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.691 3.591 -0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.687 2.246 -1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.854 3.322 -2.731 1.00 0.00 H new ATOM 795 N ARG A 52 -8.640 5.556 -5.544 1.00 0.00 N ATOM 796 CA ARG A 52 -7.899 6.412 -6.518 1.00 0.00 C ATOM 797 C ARG A 52 -8.452 7.842 -6.479 1.00 0.00 C ATOM 798 O ARG A 52 -7.761 8.789 -6.806 1.00 0.00 O ATOM 799 CB ARG A 52 -8.066 5.836 -7.931 1.00 0.00 C ATOM 800 CG ARG A 52 -6.809 5.051 -8.329 1.00 0.00 C ATOM 801 CD ARG A 52 -7.086 3.549 -8.239 1.00 0.00 C ATOM 802 NE ARG A 52 -8.281 3.212 -9.075 1.00 0.00 N ATOM 803 CZ ARG A 52 -8.217 3.203 -10.392 1.00 0.00 C ATOM 804 NH1 ARG A 52 -7.105 3.487 -11.031 1.00 0.00 N ATOM 805 NH2 ARG A 52 -9.287 2.905 -11.079 1.00 0.00 N ATOM 0 H ARG A 52 -9.128 4.761 -5.957 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.842 6.430 -6.252 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.939 5.184 -7.966 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.242 6.642 -8.643 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.510 5.315 -9.344 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.980 5.317 -7.673 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.218 2.987 -8.583 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.261 3.262 -7.202 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.163 2.985 -8.616 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.262 3.722 -10.507 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.085 3.472 -12.051 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.158 2.683 -10.596 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.252 2.894 -12.098 1.00 0.00 H new ATOM 819 N MET A 53 -9.691 8.004 -6.084 1.00 0.00 N ATOM 820 CA MET A 53 -10.291 9.372 -6.025 1.00 0.00 C ATOM 821 C MET A 53 -10.451 9.811 -4.564 1.00 0.00 C ATOM 822 O MET A 53 -10.583 10.986 -4.278 1.00 0.00 O ATOM 823 CB MET A 53 -11.667 9.377 -6.710 1.00 0.00 C ATOM 824 CG MET A 53 -12.500 8.176 -6.250 1.00 0.00 C ATOM 825 SD MET A 53 -14.167 8.302 -6.940 1.00 0.00 S ATOM 826 CE MET A 53 -13.840 7.421 -8.487 1.00 0.00 C ATOM 0 H MET A 53 -10.313 7.247 -5.800 1.00 0.00 H new ATOM 0 HA MET A 53 -9.628 10.065 -6.543 1.00 0.00 H new ATOM 0 HB2 MET A 53 -12.193 10.303 -6.476 1.00 0.00 H new ATOM 0 HB3 MET A 53 -11.541 9.347 -7.792 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.030 7.248 -6.574 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.546 8.147 -5.161 1.00 0.00 H new ATOM 0 HE1 MET A 53 -14.635 7.633 -9.202 1.00 0.00 H new ATOM 0 HE2 MET A 53 -12.886 7.750 -8.898 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.802 6.349 -8.294 1.00 0.00 H new ATOM 836 N LYS A 54 -10.450 8.881 -3.638 1.00 0.00 N ATOM 837 CA LYS A 54 -10.610 9.249 -2.199 1.00 0.00 C ATOM 838 C LYS A 54 -9.257 9.652 -1.605 1.00 0.00 C ATOM 839 O LYS A 54 -9.191 10.443 -0.683 1.00 0.00 O ATOM 840 CB LYS A 54 -11.169 8.045 -1.433 1.00 0.00 C ATOM 841 CG LYS A 54 -11.450 8.443 0.019 1.00 0.00 C ATOM 842 CD LYS A 54 -12.711 9.306 0.080 1.00 0.00 C ATOM 843 CE LYS A 54 -12.871 9.876 1.491 1.00 0.00 C ATOM 844 NZ LYS A 54 -13.501 8.853 2.372 1.00 0.00 N ATOM 0 H LYS A 54 -10.345 7.883 -3.819 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.296 10.092 -2.116 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.085 7.693 -1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.457 7.220 -1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.577 7.551 0.633 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.601 8.992 0.427 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.645 10.116 -0.646 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.585 8.711 -0.185 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.899 10.166 1.890 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.486 10.776 1.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.610 9.240 3.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.435 8.597 1.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.898 8.006 2.407 1.00 0.00 H new ATOM 858 N VAL A 55 -8.177 9.112 -2.118 1.00 0.00 N ATOM 859 CA VAL A 55 -6.825 9.462 -1.573 1.00 0.00 C ATOM 860 C VAL A 55 -6.598 10.973 -1.654 1.00 0.00 C ATOM 861 O VAL A 55 -6.863 11.598 -2.662 1.00 0.00 O ATOM 862 CB VAL A 55 -5.733 8.744 -2.373 1.00 0.00 C ATOM 863 CG1 VAL A 55 -5.814 7.230 -2.126 1.00 0.00 C ATOM 864 CG2 VAL A 55 -5.906 9.041 -3.868 1.00 0.00 C ATOM 0 H VAL A 55 -8.172 8.445 -2.890 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.780 9.145 -0.531 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.756 9.104 -2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.035 6.726 -2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.674 7.027 -1.064 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.791 6.862 -2.440 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.128 8.529 -4.433 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.884 8.691 -4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.830 10.115 -4.037 1.00 0.00 H new ATOM 874 N GLU A 56 -6.097 11.559 -0.594 1.00 0.00 N ATOM 875 CA GLU A 56 -5.837 13.025 -0.596 1.00 0.00 C ATOM 876 C GLU A 56 -4.429 13.274 -1.132 1.00 0.00 C ATOM 877 O GLU A 56 -3.575 12.411 -1.068 1.00 0.00 O ATOM 878 CB GLU A 56 -5.947 13.564 0.831 1.00 0.00 C ATOM 879 CG GLU A 56 -7.361 14.099 1.068 1.00 0.00 C ATOM 880 CD GLU A 56 -8.234 12.990 1.657 1.00 0.00 C ATOM 881 OE1 GLU A 56 -7.917 12.526 2.740 1.00 0.00 O ATOM 882 OE2 GLU A 56 -9.205 12.623 1.017 1.00 0.00 O ATOM 0 H GLU A 56 -5.857 11.080 0.274 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.567 13.532 -1.227 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.721 12.774 1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.216 14.357 0.989 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.330 14.951 1.747 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.789 14.454 0.130 1.00 0.00 H new ATOM 889 N GLU A 57 -4.179 14.442 -1.664 1.00 0.00 N ATOM 890 CA GLU A 57 -2.823 14.741 -2.209 1.00 0.00 C ATOM 891 C GLU A 57 -1.795 14.697 -1.078 1.00 0.00 C ATOM 892 O GLU A 57 -1.697 15.608 -0.278 1.00 0.00 O ATOM 893 CB GLU A 57 -2.820 16.128 -2.853 1.00 0.00 C ATOM 894 CG GLU A 57 -3.157 15.999 -4.340 1.00 0.00 C ATOM 895 CD GLU A 57 -2.916 17.340 -5.036 1.00 0.00 C ATOM 896 OE1 GLU A 57 -3.821 18.159 -5.031 1.00 0.00 O ATOM 897 OE2 GLU A 57 -1.831 17.526 -5.564 1.00 0.00 O ATOM 0 H GLU A 57 -4.856 15.201 -1.744 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.565 13.996 -2.961 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.547 16.772 -2.359 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.843 16.596 -2.729 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.542 15.224 -4.797 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.196 15.695 -4.463 1.00 0.00 H new ATOM 904 N GLY A 58 -1.030 13.638 -1.013 1.00 0.00 N ATOM 905 CA GLY A 58 -0.001 13.514 0.057 1.00 0.00 C ATOM 906 C GLY A 58 -0.512 12.589 1.165 1.00 0.00 C ATOM 907 O GLY A 58 -0.058 12.663 2.292 1.00 0.00 O ATOM 0 H GLY A 58 -1.076 12.851 -1.660 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.925 13.119 -0.361 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.229 14.497 0.469 1.00 0.00 H new ATOM 911 N ASP A 59 -1.446 11.717 0.860 1.00 0.00 N ATOM 912 CA ASP A 59 -1.970 10.792 1.912 1.00 0.00 C ATOM 913 C ASP A 59 -1.173 9.483 1.882 1.00 0.00 C ATOM 914 O ASP A 59 -0.325 9.286 1.034 1.00 0.00 O ATOM 915 CB ASP A 59 -3.461 10.512 1.669 1.00 0.00 C ATOM 916 CG ASP A 59 -3.666 9.843 0.309 1.00 0.00 C ATOM 917 OD1 ASP A 59 -2.865 10.087 -0.576 1.00 0.00 O ATOM 918 OD2 ASP A 59 -4.622 9.098 0.179 1.00 0.00 O ATOM 0 H ASP A 59 -1.864 11.608 -0.064 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.859 11.257 2.892 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.850 9.870 2.459 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.024 11.445 1.711 1.00 0.00 H new ATOM 923 N VAL A 60 -1.442 8.592 2.803 1.00 0.00 N ATOM 924 CA VAL A 60 -0.703 7.291 2.831 1.00 0.00 C ATOM 925 C VAL A 60 -1.691 6.139 2.596 1.00 0.00 C ATOM 926 O VAL A 60 -2.767 6.107 3.165 1.00 0.00 O ATOM 927 CB VAL A 60 0.060 7.122 4.178 1.00 0.00 C ATOM 928 CG1 VAL A 60 0.655 8.465 4.619 1.00 0.00 C ATOM 929 CG2 VAL A 60 -0.879 6.625 5.292 1.00 0.00 C ATOM 0 H VAL A 60 -2.141 8.708 3.537 1.00 0.00 H new ATOM 0 HA VAL A 60 0.041 7.279 2.034 1.00 0.00 H new ATOM 0 HB VAL A 60 0.850 6.388 4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.186 8.335 5.562 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.348 8.823 3.858 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.146 9.192 4.751 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.317 6.517 6.220 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.684 7.345 5.437 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.301 5.661 5.009 1.00 0.00 H new ATOM 939 N ILE A 61 -1.329 5.202 1.761 1.00 0.00 N ATOM 940 CA ILE A 61 -2.235 4.053 1.478 1.00 0.00 C ATOM 941 C ILE A 61 -1.659 2.785 2.115 1.00 0.00 C ATOM 942 O ILE A 61 -0.790 2.140 1.561 1.00 0.00 O ATOM 943 CB ILE A 61 -2.354 3.877 -0.040 1.00 0.00 C ATOM 944 CG1 ILE A 61 -2.913 5.167 -0.648 1.00 0.00 C ATOM 945 CG2 ILE A 61 -3.294 2.713 -0.366 1.00 0.00 C ATOM 946 CD1 ILE A 61 -2.731 5.144 -2.166 1.00 0.00 C ATOM 0 H ILE A 61 -0.440 5.184 1.261 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.223 4.240 1.897 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.370 3.662 -0.456 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.970 5.269 -0.401 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.402 6.031 -0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.370 2.599 -1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.900 1.795 0.069 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.282 2.916 0.048 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.130 6.063 -2.594 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.670 5.063 -2.404 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.263 4.289 -2.583 1.00 0.00 H new ATOM 958 N LEU A 62 -2.143 2.431 3.279 1.00 0.00 N ATOM 959 CA LEU A 62 -1.639 1.207 3.965 1.00 0.00 C ATOM 960 C LEU A 62 -2.290 -0.024 3.327 1.00 0.00 C ATOM 961 O LEU A 62 -3.445 0.007 2.946 1.00 0.00 O ATOM 962 CB LEU A 62 -2.008 1.274 5.455 1.00 0.00 C ATOM 963 CG LEU A 62 -0.761 1.587 6.285 1.00 0.00 C ATOM 964 CD1 LEU A 62 -1.165 1.867 7.734 1.00 0.00 C ATOM 965 CD2 LEU A 62 0.190 0.389 6.244 1.00 0.00 C ATOM 0 H LEU A 62 -2.868 2.940 3.784 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.556 1.141 3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.766 2.041 5.617 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.440 0.326 5.775 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.262 2.464 5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.275 2.090 8.323 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.843 2.720 7.764 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.665 0.991 8.148 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.079 0.610 6.835 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.311 -0.487 6.656 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.480 0.190 5.212 1.00 0.00 H new ATOM 977 N VAL A 63 -1.558 -1.102 3.204 1.00 0.00 N ATOM 978 CA VAL A 63 -2.133 -2.334 2.587 1.00 0.00 C ATOM 979 C VAL A 63 -1.664 -3.567 3.362 1.00 0.00 C ATOM 980 O VAL A 63 -0.703 -3.514 4.107 1.00 0.00 O ATOM 981 CB VAL A 63 -1.671 -2.439 1.131 1.00 0.00 C ATOM 982 CG1 VAL A 63 -2.386 -3.607 0.450 1.00 0.00 C ATOM 983 CG2 VAL A 63 -2.007 -1.139 0.394 1.00 0.00 C ATOM 0 H VAL A 63 -0.587 -1.182 3.505 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.221 -2.280 2.621 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.594 -2.606 1.104 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.056 -3.681 -0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.149 -4.533 0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.463 -3.440 0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.678 -1.213 -0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.084 -0.973 0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.498 -0.305 0.877 1.00 0.00 H new ATOM 1207 N ILE A 77 0.346 -3.213 -8.628 1.00 0.00 N ATOM 1208 CA ILE A 77 1.385 -2.291 -9.171 1.00 0.00 C ATOM 1209 C ILE A 77 0.708 -1.185 -9.993 1.00 0.00 C ATOM 1210 O ILE A 77 1.235 -0.098 -10.126 1.00 0.00 O ATOM 1211 CB ILE A 77 2.364 -3.079 -10.051 1.00 0.00 C ATOM 1212 CG1 ILE A 77 3.027 -4.180 -9.212 1.00 0.00 C ATOM 1213 CG2 ILE A 77 3.447 -2.139 -10.598 1.00 0.00 C ATOM 1214 CD1 ILE A 77 2.328 -5.517 -9.472 1.00 0.00 C ATOM 0 HA ILE A 77 1.937 -1.836 -8.348 1.00 0.00 H new ATOM 0 HB ILE A 77 1.820 -3.525 -10.884 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.085 -4.256 -9.465 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.970 -3.928 -8.153 1.00 0.00 H new ATOM 0 HG21 ILE A 77 4.139 -2.705 -11.222 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.981 -1.354 -11.193 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.992 -1.690 -9.768 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.801 -6.297 -8.875 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.276 -5.437 -9.197 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.409 -5.770 -10.529 1.00 0.00 H new ATOM 1226 N GLN A 78 -0.453 -1.453 -10.538 1.00 0.00 N ATOM 1227 CA GLN A 78 -1.159 -0.414 -11.346 1.00 0.00 C ATOM 1228 C GLN A 78 -1.501 0.778 -10.450 1.00 0.00 C ATOM 1229 O GLN A 78 -0.910 1.834 -10.572 1.00 0.00 O ATOM 1230 CB GLN A 78 -2.437 -1.006 -11.945 1.00 0.00 C ATOM 1231 CG GLN A 78 -2.659 -0.431 -13.347 1.00 0.00 C ATOM 1232 CD GLN A 78 -3.502 0.842 -13.250 1.00 0.00 C ATOM 1233 OE1 GLN A 78 -4.678 0.829 -13.553 1.00 0.00 O ATOM 1234 NE2 GLN A 78 -2.946 1.948 -12.837 1.00 0.00 N ATOM 0 H GLN A 78 -0.941 -2.345 -10.458 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.513 -0.079 -12.157 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.359 -2.092 -11.994 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.290 -0.776 -11.307 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -1.701 -0.210 -13.817 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.161 -1.165 -13.977 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.958 1.958 -12.583 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.499 2.802 -12.768 1.00 0.00 H new ATOM 1243 N LEU A 79 -2.452 0.627 -9.549 1.00 0.00 N ATOM 1244 CA LEU A 79 -2.816 1.779 -8.660 1.00 0.00 C ATOM 1245 C LEU A 79 -1.570 2.280 -7.909 1.00 0.00 C ATOM 1246 O LEU A 79 -1.511 3.422 -7.497 1.00 0.00 O ATOM 1247 CB LEU A 79 -3.999 1.452 -7.691 1.00 0.00 C ATOM 1248 CG LEU A 79 -3.776 0.257 -6.716 1.00 0.00 C ATOM 1249 CD1 LEU A 79 -3.694 -1.068 -7.465 1.00 0.00 C ATOM 1250 CD2 LEU A 79 -2.518 0.440 -5.865 1.00 0.00 C ATOM 0 H LEU A 79 -2.982 -0.231 -9.394 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.182 2.584 -9.297 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.214 2.342 -7.099 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.886 1.245 -8.290 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.642 0.237 -6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.538 -1.879 -6.754 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.623 -1.236 -8.009 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.862 -1.037 -8.168 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.401 -0.416 -5.200 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.647 0.516 -6.515 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.609 1.350 -5.272 1.00 0.00 H new ATOM 1262 N ILE A 80 -0.560 1.448 -7.763 1.00 0.00 N ATOM 1263 CA ILE A 80 0.690 1.898 -7.075 1.00 0.00 C ATOM 1264 C ILE A 80 1.332 2.978 -7.958 1.00 0.00 C ATOM 1265 O ILE A 80 1.725 4.028 -7.485 1.00 0.00 O ATOM 1266 CB ILE A 80 1.641 0.689 -6.878 1.00 0.00 C ATOM 1267 CG1 ILE A 80 1.181 -0.122 -5.664 1.00 0.00 C ATOM 1268 CG2 ILE A 80 3.087 1.140 -6.626 1.00 0.00 C ATOM 1269 CD1 ILE A 80 1.902 -1.472 -5.649 1.00 0.00 C ATOM 0 H ILE A 80 -0.551 0.482 -8.090 1.00 0.00 H new ATOM 0 HA ILE A 80 0.477 2.308 -6.088 1.00 0.00 H new ATOM 0 HB ILE A 80 1.610 0.092 -7.790 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.393 0.426 -4.746 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.102 -0.274 -5.702 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.723 0.265 -6.493 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.441 1.720 -7.478 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.125 1.756 -5.728 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.575 -2.050 -4.785 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.667 -2.020 -6.562 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.978 -1.309 -5.590 1.00 0.00 H new ATOM 1281 N LYS A 81 1.417 2.724 -9.239 1.00 0.00 N ATOM 1282 CA LYS A 81 2.008 3.728 -10.168 1.00 0.00 C ATOM 1283 C LYS A 81 1.087 4.945 -10.207 1.00 0.00 C ATOM 1284 O LYS A 81 1.532 6.077 -10.264 1.00 0.00 O ATOM 1285 CB LYS A 81 2.119 3.132 -11.578 1.00 0.00 C ATOM 1286 CG LYS A 81 2.739 1.726 -11.515 1.00 0.00 C ATOM 1287 CD LYS A 81 4.043 1.688 -12.322 1.00 0.00 C ATOM 1288 CE LYS A 81 4.107 0.391 -13.133 1.00 0.00 C ATOM 1289 NZ LYS A 81 5.359 0.372 -13.942 1.00 0.00 N ATOM 0 H LYS A 81 1.101 1.861 -9.681 1.00 0.00 H new ATOM 0 HA LYS A 81 3.003 4.012 -9.824 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.132 3.082 -12.038 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.731 3.779 -12.207 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.936 1.453 -10.478 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.036 0.992 -11.910 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.095 2.549 -12.989 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.900 1.752 -11.651 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.080 -0.470 -12.465 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.238 0.315 -13.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.403 -0.509 -14.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.367 1.186 -14.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.182 0.426 -13.309 1.00 0.00 H new ATOM 1303 N GLU A 82 -0.199 4.710 -10.168 1.00 0.00 N ATOM 1304 CA GLU A 82 -1.176 5.835 -10.188 1.00 0.00 C ATOM 1305 C GLU A 82 -0.989 6.675 -8.924 1.00 0.00 C ATOM 1306 O GLU A 82 -0.947 7.890 -8.977 1.00 0.00 O ATOM 1307 CB GLU A 82 -2.597 5.266 -10.231 1.00 0.00 C ATOM 1308 CG GLU A 82 -3.481 6.158 -11.106 1.00 0.00 C ATOM 1309 CD GLU A 82 -3.096 5.976 -12.575 1.00 0.00 C ATOM 1310 OE1 GLU A 82 -2.184 6.656 -13.019 1.00 0.00 O ATOM 1311 OE2 GLU A 82 -3.719 5.159 -13.233 1.00 0.00 O ATOM 0 H GLU A 82 -0.615 3.780 -10.123 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.014 6.460 -11.066 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.581 4.251 -10.628 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.007 5.208 -9.223 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.531 5.903 -10.960 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.363 7.202 -10.815 1.00 0.00 H new ATOM 1318 N PHE A 83 -0.862 6.032 -7.789 1.00 0.00 N ATOM 1319 CA PHE A 83 -0.659 6.781 -6.516 1.00 0.00 C ATOM 1320 C PHE A 83 0.752 7.374 -6.507 1.00 0.00 C ATOM 1321 O PHE A 83 0.989 8.425 -5.942 1.00 0.00 O ATOM 1322 CB PHE A 83 -0.809 5.829 -5.325 1.00 0.00 C ATOM 1323 CG PHE A 83 -2.252 5.401 -5.176 1.00 0.00 C ATOM 1324 CD1 PHE A 83 -3.273 6.359 -5.146 1.00 0.00 C ATOM 1325 CD2 PHE A 83 -2.569 4.041 -5.062 1.00 0.00 C ATOM 1326 CE1 PHE A 83 -4.606 5.958 -5.004 1.00 0.00 C ATOM 1327 CE2 PHE A 83 -3.902 3.640 -4.922 1.00 0.00 C ATOM 1328 CZ PHE A 83 -4.920 4.599 -4.893 1.00 0.00 C ATOM 0 H PHE A 83 -0.891 5.017 -7.692 1.00 0.00 H new ATOM 0 HA PHE A 83 -1.401 7.576 -6.440 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.175 4.954 -5.468 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.472 6.321 -4.412 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.031 7.408 -5.233 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.783 3.301 -5.082 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.393 6.698 -4.980 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.145 2.591 -4.836 1.00 0.00 H new ATOM 0 HZ PHE A 83 -5.949 4.290 -4.785 1.00 0.00 H new ATOM 1338 N ASP A 84 1.686 6.701 -7.130 1.00 0.00 N ATOM 1339 CA ASP A 84 3.090 7.208 -7.166 1.00 0.00 C ATOM 1340 C ASP A 84 3.131 8.554 -7.893 1.00 0.00 C ATOM 1341 O ASP A 84 3.861 9.450 -7.517 1.00 0.00 O ATOM 1342 CB ASP A 84 3.975 6.203 -7.911 1.00 0.00 C ATOM 1343 CG ASP A 84 5.416 6.326 -7.414 1.00 0.00 C ATOM 1344 OD1 ASP A 84 6.071 7.286 -7.786 1.00 0.00 O ATOM 1345 OD2 ASP A 84 5.841 5.457 -6.670 1.00 0.00 O ATOM 0 H ASP A 84 1.535 5.818 -7.617 1.00 0.00 H new ATOM 0 HA ASP A 84 3.455 7.334 -6.147 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.608 5.189 -7.749 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.932 6.390 -8.984 1.00 0.00 H new ATOM 1350 N ALA A 85 2.350 8.697 -8.935 1.00 0.00 N ATOM 1351 CA ALA A 85 2.338 9.979 -9.699 1.00 0.00 C ATOM 1352 C ALA A 85 1.321 10.950 -9.088 1.00 0.00 C ATOM 1353 O ALA A 85 1.390 12.145 -9.311 1.00 0.00 O ATOM 1354 CB ALA A 85 1.956 9.695 -11.153 1.00 0.00 C ATOM 0 H ALA A 85 1.719 7.978 -9.289 1.00 0.00 H new ATOM 0 HA ALA A 85 3.330 10.430 -9.655 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.946 10.629 -11.716 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.684 9.014 -11.594 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.966 9.240 -11.187 1.00 0.00 H new ATOM 1360 N GLN A 86 0.376 10.453 -8.324 1.00 0.00 N ATOM 1361 CA GLN A 86 -0.643 11.346 -7.707 1.00 0.00 C ATOM 1362 C GLN A 86 -0.084 12.017 -6.438 1.00 0.00 C ATOM 1363 O GLN A 86 -0.790 12.745 -5.763 1.00 0.00 O ATOM 1364 CB GLN A 86 -1.880 10.511 -7.347 1.00 0.00 C ATOM 1365 CG GLN A 86 -3.017 10.813 -8.328 1.00 0.00 C ATOM 1366 CD GLN A 86 -3.838 11.996 -7.812 1.00 0.00 C ATOM 1367 OE1 GLN A 86 -3.302 12.907 -7.212 1.00 0.00 O ATOM 1368 NE2 GLN A 86 -5.126 12.022 -8.021 1.00 0.00 N ATOM 0 H GLN A 86 0.271 9.463 -8.104 1.00 0.00 H new ATOM 0 HA GLN A 86 -0.910 12.128 -8.418 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.634 9.449 -7.377 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.197 10.736 -6.329 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -2.610 11.042 -9.313 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.655 9.937 -8.442 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.576 11.258 -8.524 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.682 12.807 -7.681 1.00 0.00 H new ATOM 1377 N GLY A 87 1.166 11.783 -6.102 1.00 0.00 N ATOM 1378 CA GLY A 87 1.745 12.414 -4.878 1.00 0.00 C ATOM 1379 C GLY A 87 1.217 11.692 -3.636 1.00 0.00 C ATOM 1380 O GLY A 87 1.023 12.290 -2.595 1.00 0.00 O ATOM 0 H GLY A 87 1.805 11.183 -6.624 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.833 12.361 -4.908 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.478 13.470 -4.839 1.00 0.00 H new ATOM 1384 N VAL A 88 0.985 10.410 -3.744 1.00 0.00 N ATOM 1385 CA VAL A 88 0.468 9.631 -2.582 1.00 0.00 C ATOM 1386 C VAL A 88 1.453 8.508 -2.252 1.00 0.00 C ATOM 1387 O VAL A 88 2.188 8.043 -3.103 1.00 0.00 O ATOM 1388 CB VAL A 88 -0.912 9.056 -2.941 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -1.422 8.129 -1.830 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.899 10.209 -3.121 1.00 0.00 C ATOM 0 H VAL A 88 1.133 9.866 -4.594 1.00 0.00 H new ATOM 0 HA VAL A 88 0.366 10.274 -1.708 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.824 8.481 -3.863 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.400 7.734 -2.106 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.722 7.304 -1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.507 8.689 -0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.881 9.811 -3.376 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.968 10.777 -2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.553 10.862 -3.922 1.00 0.00 H new ATOM 1400 N SER A 89 1.469 8.075 -1.019 1.00 0.00 N ATOM 1401 CA SER A 89 2.400 6.987 -0.614 1.00 0.00 C ATOM 1402 C SER A 89 1.606 5.709 -0.346 1.00 0.00 C ATOM 1403 O SER A 89 0.396 5.736 -0.228 1.00 0.00 O ATOM 1404 CB SER A 89 3.146 7.398 0.656 1.00 0.00 C ATOM 1405 OG SER A 89 4.291 8.162 0.302 1.00 0.00 O ATOM 0 H SER A 89 0.873 8.432 -0.272 1.00 0.00 H new ATOM 0 HA SER A 89 3.117 6.808 -1.415 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.491 7.981 1.303 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.445 6.513 1.219 1.00 0.00 H new ATOM 0 HG SER A 89 4.770 8.428 1.114 1.00 0.00 H new ATOM 1411 N ILE A 90 2.281 4.594 -0.244 1.00 0.00 N ATOM 1412 CA ILE A 90 1.573 3.308 0.024 1.00 0.00 C ATOM 1413 C ILE A 90 2.398 2.480 1.007 1.00 0.00 C ATOM 1414 O ILE A 90 3.402 1.891 0.649 1.00 0.00 O ATOM 1415 CB ILE A 90 1.394 2.526 -1.280 1.00 0.00 C ATOM 1416 CG1 ILE A 90 0.776 3.444 -2.346 1.00 0.00 C ATOM 1417 CG2 ILE A 90 0.469 1.332 -1.022 1.00 0.00 C ATOM 1418 CD1 ILE A 90 0.598 2.677 -3.658 1.00 0.00 C ATOM 0 H ILE A 90 3.294 4.519 -0.335 1.00 0.00 H new ATOM 0 HA ILE A 90 0.591 3.517 0.448 1.00 0.00 H new ATOM 0 HB ILE A 90 2.361 2.168 -1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.188 3.819 -2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.416 4.311 -2.506 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.336 0.769 -1.946 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.912 0.686 -0.264 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.499 1.691 -0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.159 3.335 -4.408 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.568 2.324 -4.008 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.061 1.824 -3.494 1.00 0.00 H new ATOM 1430 N ARG A 91 1.983 2.435 2.246 1.00 0.00 N ATOM 1431 CA ARG A 91 2.734 1.654 3.269 1.00 0.00 C ATOM 1432 C ARG A 91 2.282 0.192 3.227 1.00 0.00 C ATOM 1433 O ARG A 91 1.112 -0.099 3.078 1.00 0.00 O ATOM 1434 CB ARG A 91 2.456 2.242 4.655 1.00 0.00 C ATOM 1435 CG ARG A 91 2.771 3.738 4.647 1.00 0.00 C ATOM 1436 CD ARG A 91 3.094 4.201 6.070 1.00 0.00 C ATOM 1437 NE ARG A 91 4.569 4.109 6.304 1.00 0.00 N ATOM 1438 CZ ARG A 91 5.103 4.437 7.464 1.00 0.00 C ATOM 1439 NH1 ARG A 91 4.365 4.857 8.466 1.00 0.00 N ATOM 1440 NH2 ARG A 91 6.394 4.340 7.621 1.00 0.00 N ATOM 0 H ARG A 91 1.150 2.910 2.594 1.00 0.00 H new ATOM 0 HA ARG A 91 3.803 1.705 3.061 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.413 2.081 4.928 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.064 1.736 5.405 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.615 3.939 3.988 1.00 0.00 H new ATOM 0 HG3 ARG A 91 1.921 4.297 4.256 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.756 5.227 6.215 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.561 3.584 6.794 1.00 0.00 H new ATOM 0 HE ARG A 91 5.175 3.785 5.550 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.354 4.936 8.357 1.00 0.00 H new ATOM 0 HH12 ARG A 91 4.803 5.105 9.353 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.978 4.013 6.851 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.819 4.591 8.513 1.00 0.00 H new ATOM 1454 N PHE A 92 3.206 -0.727 3.354 1.00 0.00 N ATOM 1455 CA PHE A 92 2.839 -2.173 3.322 1.00 0.00 C ATOM 1456 C PHE A 92 3.191 -2.819 4.665 1.00 0.00 C ATOM 1457 O PHE A 92 4.281 -2.651 5.174 1.00 0.00 O ATOM 1458 CB PHE A 92 3.610 -2.870 2.198 1.00 0.00 C ATOM 1459 CG PHE A 92 3.018 -2.483 0.862 1.00 0.00 C ATOM 1460 CD1 PHE A 92 3.394 -1.280 0.252 1.00 0.00 C ATOM 1461 CD2 PHE A 92 2.094 -3.327 0.234 1.00 0.00 C ATOM 1462 CE1 PHE A 92 2.847 -0.922 -0.985 1.00 0.00 C ATOM 1463 CE2 PHE A 92 1.546 -2.968 -1.003 1.00 0.00 C ATOM 1464 CZ PHE A 92 1.923 -1.766 -1.614 1.00 0.00 C ATOM 0 H PHE A 92 4.200 -0.536 3.479 1.00 0.00 H new ATOM 0 HA PHE A 92 1.769 -2.273 3.142 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.662 -2.589 2.236 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.564 -3.951 2.328 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.106 -0.628 0.736 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.804 -4.255 0.704 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.137 0.006 -1.455 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.832 -3.618 -1.486 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.502 -1.490 -2.569 1.00 0.00 H new ATOM 1474 N ILE A 93 2.273 -3.554 5.240 1.00 0.00 N ATOM 1475 CA ILE A 93 2.543 -4.212 6.554 1.00 0.00 C ATOM 1476 C ILE A 93 3.720 -5.191 6.418 1.00 0.00 C ATOM 1477 O ILE A 93 4.377 -5.515 7.390 1.00 0.00 O ATOM 1478 CB ILE A 93 1.281 -4.959 7.016 1.00 0.00 C ATOM 1479 CG1 ILE A 93 1.535 -5.629 8.373 1.00 0.00 C ATOM 1480 CG2 ILE A 93 0.902 -6.028 5.986 1.00 0.00 C ATOM 1481 CD1 ILE A 93 1.803 -4.558 9.432 1.00 0.00 C ATOM 0 H ILE A 93 1.345 -3.727 4.854 1.00 0.00 H new ATOM 0 HA ILE A 93 2.804 -3.455 7.294 1.00 0.00 H new ATOM 0 HB ILE A 93 0.465 -4.243 7.114 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.673 -6.231 8.660 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.386 -6.306 8.302 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.007 -6.553 6.319 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.707 -5.554 5.024 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.722 -6.739 5.881 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.983 -5.036 10.395 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.679 -3.975 9.147 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.938 -3.899 9.510 1.00 0.00 H new