USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 750 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: A 73 THR OG1 : rot 88:sc= -0.56 USER MOD Set 1.2: A 92 HIS : no HD1:sc= -1.94! C(o=-2.5!,f=-4!) USER MOD Set 2.1: A 63 ASN : amide:sc= -7.68! K(o=-8.1!,f=-4.2) USER MOD Set 2.2: A 65 LYS NZ :NH3+ -145:sc= -0.434 (180deg=-1.38) USER MOD Set 3.1: A 43 GLN : amide:sc= -0.0391 X(o=-0.34,f=-0.54) USER MOD Set 3.2: A 46 GLN : amide:sc= -0.299 X(o=-0.34,f=-0.7) USER MOD Single : A 19 GLN : amide:sc= -1.09 K(o=-1.1,f=-4.2!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.0165 K(o=-0.016,f=-0.91) USER MOD Single : A 27 MET CE :methyl -159:sc= -0.431 (180deg=-1.25) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.041) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 93:sc= 0.0481 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot -150:sc= -1.08 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -3.01! C(o=-3!,f=-7.5!) USER MOD Single : A 56 THR OG1 : rot 75:sc= 0.593 USER MOD Single : A 58 GLN : amide:sc= -1.99 K(o=-2,f=-3.2!) USER MOD Single : A 67 GLN : amide:sc= -2.45! X(o=-2.4!,f=-2.9) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -6.73! C(o=-6.7!,f=-4.2!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -6.9! C(o=-6.9!,f=-7.8!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -1.61 K(o=-1.6,f=-0.41) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 HIS : no HD1:sc= -3.64 K(o=-3.6,f=-1.7) USER MOD Single : A 102 ASN : amide:sc= -3.78! C(o=-3.8!,f=-8.2!) USER MOD ----------------------------------------------------------------- ATOM 128 N VAL A 13 -2.353 4.914 -17.395 1.00 0.00 N ATOM 129 CA VAL A 13 -1.930 4.293 -16.146 1.00 0.00 C ATOM 130 C VAL A 13 -2.828 4.717 -14.989 1.00 0.00 C ATOM 131 O VAL A 13 -3.043 3.955 -14.047 1.00 0.00 O ATOM 132 CB VAL A 13 -0.471 4.652 -15.806 1.00 0.00 C ATOM 133 CG1 VAL A 13 -0.151 4.282 -14.366 1.00 0.00 C ATOM 134 CG2 VAL A 13 0.485 3.961 -16.767 1.00 0.00 C ATOM 0 HA VAL A 13 -2.008 3.215 -16.287 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.346 5.729 -15.915 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.884 4.543 -14.145 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.814 4.827 -13.694 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.293 3.210 -14.226 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.511 4.226 -16.512 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.359 2.881 -16.691 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.270 4.281 -17.787 1.00 0.00 H new ATOM 144 N GLU A 14 -3.351 5.936 -15.069 1.00 0.00 N ATOM 145 CA GLU A 14 -4.226 6.461 -14.028 1.00 0.00 C ATOM 146 C GLU A 14 -5.595 5.788 -14.077 1.00 0.00 C ATOM 147 O GLU A 14 -6.149 5.407 -13.047 1.00 0.00 O ATOM 148 CB GLU A 14 -4.386 7.975 -14.180 1.00 0.00 C ATOM 149 CG GLU A 14 -3.204 8.768 -13.646 1.00 0.00 C ATOM 150 CD GLU A 14 -3.395 10.266 -13.788 1.00 0.00 C ATOM 151 OE1 GLU A 14 -3.817 10.709 -14.876 1.00 0.00 O ATOM 152 OE2 GLU A 14 -3.121 10.995 -12.812 1.00 0.00 O ATOM 0 H GLU A 14 -3.184 6.578 -15.844 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.768 6.246 -13.063 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.526 8.213 -15.234 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.290 8.291 -13.659 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.052 8.523 -12.595 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.301 8.469 -14.177 1.00 0.00 H new ATOM 159 N GLY A 15 -6.134 5.644 -15.284 1.00 0.00 N ATOM 160 CA GLY A 15 -7.433 5.018 -15.446 1.00 0.00 C ATOM 161 C GLY A 15 -7.619 3.824 -14.531 1.00 0.00 C ATOM 162 O GLY A 15 -8.708 3.601 -14.003 1.00 0.00 O ATOM 0 H GLY A 15 -5.694 5.950 -16.152 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.214 5.751 -15.245 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.553 4.700 -16.482 1.00 0.00 H new ATOM 166 N ALA A 16 -6.553 3.052 -14.344 1.00 0.00 N ATOM 167 CA ALA A 16 -6.604 1.874 -13.487 1.00 0.00 C ATOM 168 C ALA A 16 -7.355 2.169 -12.193 1.00 0.00 C ATOM 169 O ALA A 16 -8.313 1.477 -11.848 1.00 0.00 O ATOM 170 CB ALA A 16 -5.197 1.382 -13.182 1.00 0.00 C ATOM 0 H ALA A 16 -5.644 3.221 -14.775 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.144 1.091 -14.019 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.250 0.502 -12.541 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.692 1.123 -14.113 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.639 2.168 -12.673 1.00 0.00 H new ATOM 176 N ALA A 17 -6.913 3.200 -11.479 1.00 0.00 N ATOM 177 CA ALA A 17 -7.544 3.586 -10.224 1.00 0.00 C ATOM 178 C ALA A 17 -9.048 3.339 -10.267 1.00 0.00 C ATOM 179 O ALA A 17 -9.655 2.963 -9.263 1.00 0.00 O ATOM 180 CB ALA A 17 -7.256 5.048 -9.917 1.00 0.00 C ATOM 0 H ALA A 17 -6.120 3.782 -11.749 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.124 2.969 -9.430 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.733 5.323 -8.977 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.179 5.197 -9.835 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.649 5.672 -10.720 1.00 0.00 H new ATOM 186 N PHE A 18 -9.645 3.553 -11.435 1.00 0.00 N ATOM 187 CA PHE A 18 -11.080 3.355 -11.608 1.00 0.00 C ATOM 188 C PHE A 18 -11.531 2.052 -10.956 1.00 0.00 C ATOM 189 O PHE A 18 -12.373 2.054 -10.058 1.00 0.00 O ATOM 190 CB PHE A 18 -11.439 3.346 -13.095 1.00 0.00 C ATOM 191 CG PHE A 18 -12.806 2.793 -13.378 1.00 0.00 C ATOM 192 CD1 PHE A 18 -13.007 1.426 -13.482 1.00 0.00 C ATOM 193 CD2 PHE A 18 -13.891 3.640 -13.541 1.00 0.00 C ATOM 194 CE1 PHE A 18 -14.264 0.913 -13.742 1.00 0.00 C ATOM 195 CE2 PHE A 18 -15.150 3.133 -13.801 1.00 0.00 C ATOM 196 CZ PHE A 18 -15.337 1.768 -13.902 1.00 0.00 C ATOM 0 H PHE A 18 -9.158 3.863 -12.276 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.597 4.182 -11.122 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -11.380 4.364 -13.481 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -10.698 2.757 -13.636 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -12.171 0.753 -13.358 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -13.751 4.708 -13.464 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -14.407 -0.155 -13.820 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -15.987 3.804 -13.925 1.00 0.00 H new ATOM 0 HZ PHE A 18 -16.320 1.370 -14.106 1.00 0.00 H new ATOM 206 N GLN A 19 -10.966 0.940 -11.416 1.00 0.00 N ATOM 207 CA GLN A 19 -11.311 -0.371 -10.878 1.00 0.00 C ATOM 208 C GLN A 19 -11.527 -0.301 -9.370 1.00 0.00 C ATOM 209 O GLN A 19 -12.279 -1.094 -8.804 1.00 0.00 O ATOM 210 CB GLN A 19 -10.212 -1.384 -11.202 1.00 0.00 C ATOM 211 CG GLN A 19 -8.952 -1.201 -10.371 1.00 0.00 C ATOM 212 CD GLN A 19 -8.186 -2.495 -10.180 1.00 0.00 C ATOM 213 OE1 GLN A 19 -7.343 -2.858 -11.001 1.00 0.00 O ATOM 214 NE2 GLN A 19 -8.476 -3.201 -9.093 1.00 0.00 N ATOM 0 H GLN A 19 -10.268 0.921 -12.159 1.00 0.00 H new ATOM 0 HA GLN A 19 -12.242 -0.694 -11.345 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.599 -2.391 -11.043 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.955 -1.304 -12.258 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.306 -0.469 -10.855 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.220 -0.795 -9.396 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.182 -2.863 -8.439 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.993 -4.081 -8.913 1.00 0.00 H new ATOM 223 N SER A 20 -10.862 0.652 -8.726 1.00 0.00 N ATOM 224 CA SER A 20 -10.978 0.822 -7.282 1.00 0.00 C ATOM 225 C SER A 20 -11.761 2.088 -6.945 1.00 0.00 C ATOM 226 O SER A 20 -11.535 3.145 -7.533 1.00 0.00 O ATOM 227 CB SER A 20 -9.590 0.882 -6.641 1.00 0.00 C ATOM 228 OG SER A 20 -9.056 -0.418 -6.459 1.00 0.00 O ATOM 0 H SER A 20 -10.237 1.318 -9.181 1.00 0.00 H new ATOM 0 HA SER A 20 -11.518 -0.036 -6.882 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.921 1.469 -7.270 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.652 1.391 -5.679 1.00 0.00 H new ATOM 0 HG SER A 20 -8.168 -0.353 -6.050 1.00 0.00 H new ATOM 234 N ARG A 21 -12.682 1.970 -5.995 1.00 0.00 N ATOM 235 CA ARG A 21 -13.500 3.104 -5.580 1.00 0.00 C ATOM 236 C ARG A 21 -12.657 4.143 -4.847 1.00 0.00 C ATOM 237 O ARG A 21 -12.726 4.263 -3.623 1.00 0.00 O ATOM 238 CB ARG A 21 -14.644 2.632 -4.679 1.00 0.00 C ATOM 239 CG ARG A 21 -15.908 2.268 -5.441 1.00 0.00 C ATOM 240 CD ARG A 21 -15.861 0.834 -5.946 1.00 0.00 C ATOM 241 NE ARG A 21 -16.138 -0.129 -4.884 1.00 0.00 N ATOM 242 CZ ARG A 21 -16.540 -1.375 -5.109 1.00 0.00 C ATOM 243 NH1 ARG A 21 -16.709 -1.807 -6.351 1.00 0.00 N ATOM 244 NH2 ARG A 21 -16.772 -2.193 -4.090 1.00 0.00 N ATOM 0 H ARG A 21 -12.881 1.102 -5.498 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.918 3.566 -6.475 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -14.312 1.765 -4.108 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.877 3.417 -3.960 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -16.775 2.398 -4.793 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -16.035 2.948 -6.284 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -16.588 0.708 -6.748 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.878 0.632 -6.372 1.00 0.00 H new ATOM 0 HE ARG A 21 -16.016 0.171 -3.917 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.530 -1.182 -7.137 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -17.018 -2.764 -6.520 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -16.642 -1.865 -3.133 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.081 -3.150 -4.264 1.00 0.00 H new ATOM 258 N LEU A 22 -11.862 4.892 -5.603 1.00 0.00 N ATOM 259 CA LEU A 22 -11.004 5.921 -5.026 1.00 0.00 C ATOM 260 C LEU A 22 -10.406 6.805 -6.115 1.00 0.00 C ATOM 261 O LEU A 22 -10.134 6.360 -7.230 1.00 0.00 O ATOM 262 CB LEU A 22 -9.886 5.279 -4.203 1.00 0.00 C ATOM 263 CG LEU A 22 -8.883 4.429 -4.982 1.00 0.00 C ATOM 264 CD1 LEU A 22 -7.771 5.299 -5.547 1.00 0.00 C ATOM 265 CD2 LEU A 22 -8.307 3.335 -4.094 1.00 0.00 C ATOM 0 H LEU A 22 -11.794 4.806 -6.617 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.615 6.544 -4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.340 6.070 -3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.341 4.655 -3.434 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.406 3.957 -5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.066 4.676 -6.098 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.198 6.045 -6.217 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.251 5.800 -4.731 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.595 2.740 -4.666 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.800 3.787 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.113 2.693 -3.738 1.00 0.00 H new ATOM 277 N PRO A 23 -10.194 8.088 -5.787 1.00 0.00 N ATOM 278 CA PRO A 23 -9.622 9.061 -6.723 1.00 0.00 C ATOM 279 C PRO A 23 -8.150 8.790 -7.014 1.00 0.00 C ATOM 280 O PRO A 23 -7.411 8.325 -6.146 1.00 0.00 O ATOM 281 CB PRO A 23 -9.786 10.396 -5.991 1.00 0.00 C ATOM 282 CG PRO A 23 -9.826 10.033 -4.546 1.00 0.00 C ATOM 283 CD PRO A 23 -10.494 8.688 -4.476 1.00 0.00 C ATOM 0 HA PRO A 23 -10.114 9.029 -7.695 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.957 11.070 -6.207 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.700 10.906 -6.297 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -8.821 9.992 -4.126 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.381 10.775 -3.972 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.098 8.085 -3.658 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.568 8.781 -4.313 1.00 0.00 H new ATOM 291 N HIS A 24 -7.730 9.084 -8.240 1.00 0.00 N ATOM 292 CA HIS A 24 -6.345 8.873 -8.645 1.00 0.00 C ATOM 293 C HIS A 24 -5.516 10.135 -8.425 1.00 0.00 C ATOM 294 O HIS A 24 -4.287 10.098 -8.477 1.00 0.00 O ATOM 295 CB HIS A 24 -6.279 8.455 -10.115 1.00 0.00 C ATOM 296 CG HIS A 24 -7.052 9.355 -11.028 1.00 0.00 C ATOM 297 ND1 HIS A 24 -8.392 9.178 -11.303 1.00 0.00 N ATOM 298 CD2 HIS A 24 -6.667 10.446 -11.731 1.00 0.00 C ATOM 299 CE1 HIS A 24 -8.796 10.120 -12.137 1.00 0.00 C ATOM 300 NE2 HIS A 24 -7.769 10.903 -12.411 1.00 0.00 N ATOM 0 H HIS A 24 -8.329 9.469 -8.970 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.930 8.075 -8.029 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.237 8.437 -10.433 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -6.659 7.438 -10.213 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.677 10.877 -11.753 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.797 10.231 -12.528 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.791 11.715 -13.028 1.00 0.00 H new ATOM 309 N ASP A 25 -6.197 11.249 -8.181 1.00 0.00 N ATOM 310 CA ASP A 25 -5.524 12.522 -7.953 1.00 0.00 C ATOM 311 C ASP A 25 -5.234 12.725 -6.469 1.00 0.00 C ATOM 312 O ASP A 25 -4.248 13.364 -6.101 1.00 0.00 O ATOM 313 CB ASP A 25 -6.377 13.676 -8.481 1.00 0.00 C ATOM 314 CG ASP A 25 -6.167 13.921 -9.962 1.00 0.00 C ATOM 315 OD1 ASP A 25 -5.020 14.218 -10.358 1.00 0.00 O ATOM 316 OD2 ASP A 25 -7.149 13.816 -10.726 1.00 0.00 O ATOM 0 H ASP A 25 -7.215 11.296 -8.136 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.576 12.505 -8.491 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.429 13.460 -8.297 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.137 14.584 -7.928 1.00 0.00 H new ATOM 321 N ARG A 26 -6.099 12.178 -5.622 1.00 0.00 N ATOM 322 CA ARG A 26 -5.937 12.302 -4.178 1.00 0.00 C ATOM 323 C ARG A 26 -6.056 10.940 -3.500 1.00 0.00 C ATOM 324 O ARG A 26 -6.380 9.942 -4.142 1.00 0.00 O ATOM 325 CB ARG A 26 -6.982 13.261 -3.606 1.00 0.00 C ATOM 326 CG ARG A 26 -8.410 12.761 -3.747 1.00 0.00 C ATOM 327 CD ARG A 26 -9.411 13.903 -3.664 1.00 0.00 C ATOM 328 NE ARG A 26 -9.688 14.485 -4.974 1.00 0.00 N ATOM 329 CZ ARG A 26 -10.594 14.002 -5.816 1.00 0.00 C ATOM 330 NH1 ARG A 26 -11.309 12.935 -5.486 1.00 0.00 N ATOM 331 NH2 ARG A 26 -10.788 14.588 -6.991 1.00 0.00 N ATOM 0 H ARG A 26 -6.919 11.645 -5.910 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.942 12.702 -3.982 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.768 13.430 -2.551 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.892 14.224 -4.108 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.523 12.245 -4.700 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.621 12.033 -2.963 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.340 13.539 -3.225 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.025 14.675 -2.999 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.156 15.308 -5.258 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.164 12.483 -4.583 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.004 12.566 -6.135 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.241 15.410 -7.248 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.484 14.217 -7.637 1.00 0.00 H new ATOM 345 N MET A 27 -5.791 10.908 -2.198 1.00 0.00 N ATOM 346 CA MET A 27 -5.868 9.670 -1.432 1.00 0.00 C ATOM 347 C MET A 27 -7.170 9.601 -0.640 1.00 0.00 C ATOM 348 O MET A 27 -7.822 10.619 -0.406 1.00 0.00 O ATOM 349 CB MET A 27 -4.674 9.556 -0.483 1.00 0.00 C ATOM 350 CG MET A 27 -3.333 9.769 -1.165 1.00 0.00 C ATOM 351 SD MET A 27 -2.056 10.337 -0.026 1.00 0.00 S ATOM 352 CE MET A 27 -1.875 8.897 1.024 1.00 0.00 C ATOM 0 H MET A 27 -5.521 11.726 -1.651 1.00 0.00 H new ATOM 0 HA MET A 27 -5.845 8.836 -2.134 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.785 10.287 0.317 1.00 0.00 H new ATOM 0 HB3 MET A 27 -4.683 8.570 -0.018 1.00 0.00 H new ATOM 0 HG2 MET A 27 -3.013 8.835 -1.627 1.00 0.00 H new ATOM 0 HG3 MET A 27 -3.449 10.498 -1.967 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.425 9.192 1.972 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.855 8.456 1.209 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.235 8.165 0.531 1.00 0.00 H new ATOM 362 N THR A 28 -7.546 8.393 -0.230 1.00 0.00 N ATOM 363 CA THR A 28 -8.770 8.191 0.534 1.00 0.00 C ATOM 364 C THR A 28 -8.470 8.019 2.018 1.00 0.00 C ATOM 365 O THR A 28 -7.327 7.779 2.406 1.00 0.00 O ATOM 366 CB THR A 28 -9.549 6.960 0.032 1.00 0.00 C ATOM 367 OG1 THR A 28 -8.766 5.776 0.220 1.00 0.00 O ATOM 368 CG2 THR A 28 -9.908 7.109 -1.438 1.00 0.00 C ATOM 0 H THR A 28 -7.019 7.539 -0.415 1.00 0.00 H new ATOM 0 HA THR A 28 -9.382 9.082 0.391 1.00 0.00 H new ATOM 0 HB THR A 28 -10.471 6.881 0.608 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.268 4.998 -0.100 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.457 6.228 -1.770 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.528 7.995 -1.573 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.996 7.211 -2.027 1.00 0.00 H new ATOM 376 N SER A 29 -9.504 8.142 2.844 1.00 0.00 N ATOM 377 CA SER A 29 -9.350 8.002 4.288 1.00 0.00 C ATOM 378 C SER A 29 -8.447 6.820 4.626 1.00 0.00 C ATOM 379 O SER A 29 -7.641 6.887 5.553 1.00 0.00 O ATOM 380 CB SER A 29 -10.716 7.822 4.952 1.00 0.00 C ATOM 381 OG SER A 29 -10.577 7.390 6.295 1.00 0.00 O ATOM 0 H SER A 29 -10.457 8.338 2.539 1.00 0.00 H new ATOM 0 HA SER A 29 -8.886 8.911 4.669 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.264 8.764 4.924 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.303 7.095 4.392 1.00 0.00 H new ATOM 0 HG SER A 29 -11.464 7.284 6.698 1.00 0.00 H new ATOM 387 N GLN A 30 -8.589 5.739 3.866 1.00 0.00 N ATOM 388 CA GLN A 30 -7.787 4.541 4.085 1.00 0.00 C ATOM 389 C GLN A 30 -6.320 4.800 3.755 1.00 0.00 C ATOM 390 O GLN A 30 -5.456 4.728 4.628 1.00 0.00 O ATOM 391 CB GLN A 30 -8.316 3.384 3.236 1.00 0.00 C ATOM 392 CG GLN A 30 -9.373 2.548 3.939 1.00 0.00 C ATOM 393 CD GLN A 30 -10.779 3.061 3.697 1.00 0.00 C ATOM 394 OE1 GLN A 30 -11.524 3.334 4.639 1.00 0.00 O ATOM 395 NE2 GLN A 30 -11.151 3.195 2.429 1.00 0.00 N ATOM 0 H GLN A 30 -9.251 5.668 3.094 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.862 4.272 5.139 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.736 3.784 2.313 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.483 2.740 2.955 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.303 1.516 3.595 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.172 2.541 5.010 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -10.502 2.957 1.679 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -12.086 3.536 2.205 1.00 0.00 H new ATOM 404 N GLU A 31 -6.048 5.102 2.489 1.00 0.00 N ATOM 405 CA GLU A 31 -4.686 5.370 2.044 1.00 0.00 C ATOM 406 C GLU A 31 -4.006 6.387 2.957 1.00 0.00 C ATOM 407 O GLU A 31 -2.820 6.265 3.264 1.00 0.00 O ATOM 408 CB GLU A 31 -4.688 5.883 0.603 1.00 0.00 C ATOM 409 CG GLU A 31 -5.206 4.870 -0.403 1.00 0.00 C ATOM 410 CD GLU A 31 -4.170 3.824 -0.765 1.00 0.00 C ATOM 411 OE1 GLU A 31 -3.561 3.246 0.160 1.00 0.00 O ATOM 412 OE2 GLU A 31 -3.968 3.583 -1.973 1.00 0.00 O ATOM 0 H GLU A 31 -6.753 5.167 1.754 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.126 4.436 2.088 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.300 6.783 0.548 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.673 6.170 0.327 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.088 4.376 0.006 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.522 5.391 -1.307 1.00 0.00 H new ATOM 419 N ALA A 32 -4.766 7.389 3.386 1.00 0.00 N ATOM 420 CA ALA A 32 -4.238 8.426 4.264 1.00 0.00 C ATOM 421 C ALA A 32 -3.804 7.842 5.604 1.00 0.00 C ATOM 422 O ALA A 32 -2.792 8.252 6.172 1.00 0.00 O ATOM 423 CB ALA A 32 -5.276 9.519 4.474 1.00 0.00 C ATOM 0 H ALA A 32 -5.749 7.505 3.140 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.361 8.861 3.785 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.868 10.287 5.132 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.535 9.964 3.513 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.169 9.090 4.928 1.00 0.00 H new ATOM 429 N ALA A 33 -4.577 6.883 6.105 1.00 0.00 N ATOM 430 CA ALA A 33 -4.271 6.243 7.378 1.00 0.00 C ATOM 431 C ALA A 33 -3.037 5.354 7.263 1.00 0.00 C ATOM 432 O ALA A 33 -2.198 5.320 8.164 1.00 0.00 O ATOM 433 CB ALA A 33 -5.464 5.432 7.861 1.00 0.00 C ATOM 0 H ALA A 33 -5.419 6.533 5.648 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.057 7.025 8.107 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.221 4.959 8.813 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.323 6.090 7.991 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.704 4.664 7.125 1.00 0.00 H new ATOM 439 N CYS A 34 -2.933 4.636 6.150 1.00 0.00 N ATOM 440 CA CYS A 34 -1.801 3.745 5.918 1.00 0.00 C ATOM 441 C CYS A 34 -0.536 4.541 5.616 1.00 0.00 C ATOM 442 O CYS A 34 0.550 4.202 6.087 1.00 0.00 O ATOM 443 CB CYS A 34 -2.106 2.790 4.763 1.00 0.00 C ATOM 444 SG CYS A 34 -1.253 1.200 4.876 1.00 0.00 S ATOM 0 H CYS A 34 -3.618 4.653 5.395 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.635 3.164 6.825 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.181 2.612 4.727 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.831 3.272 3.825 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.576 0.461 3.856 1.00 0.00 H new ATOM 450 N PHE A 35 -0.683 5.600 4.827 1.00 0.00 N ATOM 451 CA PHE A 35 0.449 6.443 4.460 1.00 0.00 C ATOM 452 C PHE A 35 0.224 7.882 4.914 1.00 0.00 C ATOM 453 O PHE A 35 -0.278 8.724 4.169 1.00 0.00 O ATOM 454 CB PHE A 35 0.672 6.402 2.946 1.00 0.00 C ATOM 455 CG PHE A 35 0.695 5.011 2.381 1.00 0.00 C ATOM 456 CD1 PHE A 35 -0.482 4.301 2.206 1.00 0.00 C ATOM 457 CD2 PHE A 35 1.893 4.414 2.024 1.00 0.00 C ATOM 458 CE1 PHE A 35 -0.464 3.020 1.686 1.00 0.00 C ATOM 459 CE2 PHE A 35 1.917 3.134 1.503 1.00 0.00 C ATOM 460 CZ PHE A 35 0.737 2.436 1.334 1.00 0.00 C ATOM 0 H PHE A 35 -1.575 5.895 4.429 1.00 0.00 H new ATOM 0 HA PHE A 35 1.336 6.057 4.962 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.117 6.972 2.455 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.615 6.896 2.712 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.424 4.753 2.479 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.819 4.955 2.154 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.388 2.477 1.555 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.858 2.680 1.228 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.754 1.436 0.927 1.00 0.00 H new ATOM 470 N PRO A 36 0.605 8.173 6.167 1.00 0.00 N ATOM 471 CA PRO A 36 0.456 9.510 6.749 1.00 0.00 C ATOM 472 C PRO A 36 1.404 10.525 6.121 1.00 0.00 C ATOM 473 O PRO A 36 1.014 11.657 5.832 1.00 0.00 O ATOM 474 CB PRO A 36 0.803 9.295 8.224 1.00 0.00 C ATOM 475 CG PRO A 36 1.689 8.097 8.234 1.00 0.00 C ATOM 476 CD PRO A 36 1.211 7.219 7.111 1.00 0.00 C ATOM 0 HA PRO A 36 -0.542 9.916 6.586 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.309 10.165 8.643 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.093 9.129 8.822 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.731 8.381 8.090 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.630 7.576 9.189 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.033 6.668 6.654 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.487 6.482 7.458 1.00 0.00 H new ATOM 484 N ASP A 37 2.650 10.114 5.912 1.00 0.00 N ATOM 485 CA ASP A 37 3.654 10.988 5.317 1.00 0.00 C ATOM 486 C ASP A 37 3.222 11.442 3.926 1.00 0.00 C ATOM 487 O ASP A 37 3.438 12.593 3.544 1.00 0.00 O ATOM 488 CB ASP A 37 5.002 10.270 5.236 1.00 0.00 C ATOM 489 CG ASP A 37 5.432 9.694 6.571 1.00 0.00 C ATOM 490 OD1 ASP A 37 5.932 10.465 7.417 1.00 0.00 O ATOM 491 OD2 ASP A 37 5.268 8.472 6.770 1.00 0.00 O ATOM 0 H ASP A 37 2.989 9.181 6.146 1.00 0.00 H new ATOM 0 HA ASP A 37 3.757 11.868 5.952 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.940 9.468 4.501 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.761 10.968 4.883 1.00 0.00 H new ATOM 496 N ILE A 38 2.613 10.532 3.174 1.00 0.00 N ATOM 497 CA ILE A 38 2.151 10.840 1.826 1.00 0.00 C ATOM 498 C ILE A 38 1.021 11.863 1.852 1.00 0.00 C ATOM 499 O ILE A 38 1.102 12.908 1.206 1.00 0.00 O ATOM 500 CB ILE A 38 1.666 9.575 1.094 1.00 0.00 C ATOM 501 CG1 ILE A 38 2.782 8.529 1.044 1.00 0.00 C ATOM 502 CG2 ILE A 38 1.195 9.923 -0.310 1.00 0.00 C ATOM 503 CD1 ILE A 38 4.078 9.055 0.469 1.00 0.00 C ATOM 0 H ILE A 38 2.428 9.575 3.475 1.00 0.00 H new ATOM 0 HA ILE A 38 3.003 11.257 1.289 1.00 0.00 H new ATOM 0 HB ILE A 38 0.824 9.155 1.644 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.966 8.157 2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.447 7.681 0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.855 9.018 -0.814 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.373 10.636 -0.252 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.019 10.364 -0.871 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.823 8.260 0.464 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.910 9.401 -0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.436 9.884 1.079 1.00 0.00 H new ATOM 515 N ILE A 39 -0.030 11.557 2.605 1.00 0.00 N ATOM 516 CA ILE A 39 -1.175 12.451 2.718 1.00 0.00 C ATOM 517 C ILE A 39 -0.780 13.770 3.375 1.00 0.00 C ATOM 518 O ILE A 39 -1.392 14.808 3.124 1.00 0.00 O ATOM 519 CB ILE A 39 -2.314 11.808 3.530 1.00 0.00 C ATOM 520 CG1 ILE A 39 -3.531 12.734 3.566 1.00 0.00 C ATOM 521 CG2 ILE A 39 -1.844 11.487 4.941 1.00 0.00 C ATOM 522 CD1 ILE A 39 -4.306 12.766 2.267 1.00 0.00 C ATOM 0 H ILE A 39 -0.112 10.696 3.146 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.526 12.643 1.704 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.604 10.876 3.044 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.196 12.415 4.369 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.201 13.744 3.808 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.661 11.033 5.502 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.005 10.793 4.896 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.529 12.405 5.437 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.155 13.443 2.366 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.656 13.114 1.464 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.666 11.764 2.034 1.00 0.00 H new ATOM 534 N SER A 40 0.249 13.721 4.215 1.00 0.00 N ATOM 535 CA SER A 40 0.725 14.911 4.910 1.00 0.00 C ATOM 536 C SER A 40 1.989 15.456 4.251 1.00 0.00 C ATOM 537 O SER A 40 2.859 16.014 4.918 1.00 0.00 O ATOM 538 CB SER A 40 1.000 14.594 6.381 1.00 0.00 C ATOM 539 OG SER A 40 -0.178 14.156 7.037 1.00 0.00 O ATOM 0 H SER A 40 0.769 12.870 4.431 1.00 0.00 H new ATOM 0 HA SER A 40 -0.053 15.672 4.849 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.768 13.824 6.453 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.390 15.481 6.881 1.00 0.00 H new ATOM 0 HG SER A 40 -0.228 13.178 7.001 1.00 0.00 H new ATOM 545 N GLY A 41 2.082 15.288 2.935 1.00 0.00 N ATOM 546 CA GLY A 41 3.242 15.767 2.207 1.00 0.00 C ATOM 547 C GLY A 41 2.869 16.698 1.070 1.00 0.00 C ATOM 548 O GLY A 41 1.702 17.041 0.877 1.00 0.00 O ATOM 0 H GLY A 41 1.375 14.829 2.361 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.909 16.287 2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.794 14.916 1.809 1.00 0.00 H new ATOM 552 N PRO A 42 3.877 17.125 0.294 1.00 0.00 N ATOM 553 CA PRO A 42 3.673 18.029 -0.842 1.00 0.00 C ATOM 554 C PRO A 42 2.941 17.353 -1.996 1.00 0.00 C ATOM 555 O PRO A 42 3.107 16.157 -2.233 1.00 0.00 O ATOM 556 CB PRO A 42 5.098 18.401 -1.258 1.00 0.00 C ATOM 557 CG PRO A 42 5.939 17.262 -0.794 1.00 0.00 C ATOM 558 CD PRO A 42 5.292 16.757 0.466 1.00 0.00 C ATOM 0 HA PRO A 42 3.054 18.886 -0.576 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.173 18.534 -2.337 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.412 19.338 -0.798 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.986 16.478 -1.550 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.963 17.584 -0.605 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.416 15.680 0.578 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.723 17.221 1.353 1.00 0.00 H new ATOM 566 N GLN A 43 2.130 18.128 -2.710 1.00 0.00 N ATOM 567 CA GLN A 43 1.372 17.603 -3.840 1.00 0.00 C ATOM 568 C GLN A 43 2.183 16.560 -4.602 1.00 0.00 C ATOM 569 O GLN A 43 1.679 15.485 -4.928 1.00 0.00 O ATOM 570 CB GLN A 43 0.967 18.738 -4.781 1.00 0.00 C ATOM 571 CG GLN A 43 -0.052 18.324 -5.831 1.00 0.00 C ATOM 572 CD GLN A 43 -1.428 18.077 -5.243 1.00 0.00 C ATOM 573 OE1 GLN A 43 -1.724 16.981 -4.767 1.00 0.00 O ATOM 574 NE2 GLN A 43 -2.277 19.098 -5.273 1.00 0.00 N ATOM 0 H GLN A 43 1.981 19.120 -2.526 1.00 0.00 H new ATOM 0 HA GLN A 43 0.473 17.125 -3.451 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.557 19.558 -4.192 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.857 19.119 -5.281 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.120 19.101 -6.592 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.294 17.419 -6.330 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -1.989 19.989 -5.677 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.217 18.991 -4.892 1.00 0.00 H new ATOM 583 N GLN A 44 3.441 16.884 -4.883 1.00 0.00 N ATOM 584 CA GLN A 44 4.320 15.975 -5.608 1.00 0.00 C ATOM 585 C GLN A 44 4.355 14.604 -4.941 1.00 0.00 C ATOM 586 O GLN A 44 4.043 13.589 -5.565 1.00 0.00 O ATOM 587 CB GLN A 44 5.734 16.554 -5.686 1.00 0.00 C ATOM 588 CG GLN A 44 6.663 15.769 -6.599 1.00 0.00 C ATOM 589 CD GLN A 44 7.945 16.517 -6.908 1.00 0.00 C ATOM 590 OE1 GLN A 44 7.963 17.425 -7.740 1.00 0.00 O ATOM 591 NE2 GLN A 44 9.028 16.138 -6.239 1.00 0.00 N ATOM 0 H GLN A 44 3.874 17.769 -4.620 1.00 0.00 H new ATOM 0 HA GLN A 44 3.927 15.857 -6.618 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.677 17.584 -6.038 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.162 16.583 -4.684 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.907 14.816 -6.130 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.145 15.543 -7.531 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.968 15.381 -5.558 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.920 16.604 -6.406 1.00 0.00 H new ATOM 600 N THR A 45 4.738 14.580 -3.668 1.00 0.00 N ATOM 601 CA THR A 45 4.815 13.334 -2.916 1.00 0.00 C ATOM 602 C THR A 45 3.549 12.504 -3.096 1.00 0.00 C ATOM 603 O THR A 45 3.611 11.338 -3.483 1.00 0.00 O ATOM 604 CB THR A 45 5.034 13.597 -1.414 1.00 0.00 C ATOM 605 OG1 THR A 45 6.279 14.273 -1.211 1.00 0.00 O ATOM 606 CG2 THR A 45 5.026 12.293 -0.630 1.00 0.00 C ATOM 0 H THR A 45 5.000 15.410 -3.136 1.00 0.00 H new ATOM 0 HA THR A 45 5.668 12.780 -3.308 1.00 0.00 H new ATOM 0 HB THR A 45 4.218 14.224 -1.055 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.644 14.029 -0.335 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.182 12.504 0.428 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.066 11.795 -0.763 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.824 11.645 -0.993 1.00 0.00 H new ATOM 614 N GLN A 46 2.402 13.113 -2.813 1.00 0.00 N ATOM 615 CA GLN A 46 1.121 12.429 -2.944 1.00 0.00 C ATOM 616 C GLN A 46 0.997 11.764 -4.311 1.00 0.00 C ATOM 617 O GLN A 46 0.668 10.582 -4.411 1.00 0.00 O ATOM 618 CB GLN A 46 -0.031 13.413 -2.736 1.00 0.00 C ATOM 619 CG GLN A 46 -0.129 13.943 -1.314 1.00 0.00 C ATOM 620 CD GLN A 46 -1.225 14.979 -1.152 1.00 0.00 C ATOM 621 OE1 GLN A 46 -1.528 15.729 -2.080 1.00 0.00 O ATOM 622 NE2 GLN A 46 -1.825 15.025 0.031 1.00 0.00 N ATOM 0 H GLN A 46 2.334 14.079 -2.492 1.00 0.00 H new ATOM 0 HA GLN A 46 1.071 11.656 -2.178 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.091 14.253 -3.420 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.969 12.923 -2.998 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.315 13.113 -0.633 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.826 14.382 -1.027 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.541 14.384 0.772 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.570 15.701 0.199 1.00 0.00 H new ATOM 631 N LYS A 47 1.262 12.531 -5.363 1.00 0.00 N ATOM 632 CA LYS A 47 1.182 12.017 -6.725 1.00 0.00 C ATOM 633 C LYS A 47 2.103 10.815 -6.909 1.00 0.00 C ATOM 634 O LYS A 47 1.681 9.765 -7.392 1.00 0.00 O ATOM 635 CB LYS A 47 1.549 13.113 -7.728 1.00 0.00 C ATOM 636 CG LYS A 47 0.595 14.295 -7.714 1.00 0.00 C ATOM 637 CD LYS A 47 1.224 15.526 -8.346 1.00 0.00 C ATOM 638 CE LYS A 47 1.163 15.465 -9.864 1.00 0.00 C ATOM 639 NZ LYS A 47 1.597 16.746 -10.488 1.00 0.00 N ATOM 0 H LYS A 47 1.534 13.512 -5.298 1.00 0.00 H new ATOM 0 HA LYS A 47 0.156 11.696 -6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.557 13.468 -7.513 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.569 12.685 -8.730 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.317 14.034 -8.251 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.307 14.519 -6.687 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.708 16.420 -7.996 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.262 15.611 -8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.798 14.654 -10.221 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.145 15.235 -10.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.541 16.664 -11.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.976 17.516 -10.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.577 16.953 -10.209 1.00 0.00 H new ATOM 653 N VAL A 48 3.363 10.976 -6.518 1.00 0.00 N ATOM 654 CA VAL A 48 4.344 9.904 -6.638 1.00 0.00 C ATOM 655 C VAL A 48 3.780 8.585 -6.122 1.00 0.00 C ATOM 656 O VAL A 48 3.958 7.536 -6.742 1.00 0.00 O ATOM 657 CB VAL A 48 5.635 10.235 -5.866 1.00 0.00 C ATOM 658 CG1 VAL A 48 6.615 9.075 -5.943 1.00 0.00 C ATOM 659 CG2 VAL A 48 6.263 11.512 -6.403 1.00 0.00 C ATOM 0 H VAL A 48 3.729 11.839 -6.115 1.00 0.00 H new ATOM 0 HA VAL A 48 4.579 9.806 -7.698 1.00 0.00 H new ATOM 0 HB VAL A 48 5.381 10.395 -4.818 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.521 9.327 -5.392 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.161 8.185 -5.507 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.867 8.880 -6.985 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.174 11.731 -5.846 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.504 11.383 -7.458 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.561 12.338 -6.290 1.00 0.00 H new ATOM 669 N PHE A 49 3.099 8.644 -4.982 1.00 0.00 N ATOM 670 CA PHE A 49 2.509 7.453 -4.382 1.00 0.00 C ATOM 671 C PHE A 49 1.199 7.087 -5.073 1.00 0.00 C ATOM 672 O PHE A 49 0.866 5.909 -5.214 1.00 0.00 O ATOM 673 CB PHE A 49 2.265 7.677 -2.888 1.00 0.00 C ATOM 674 CG PHE A 49 1.094 6.905 -2.350 1.00 0.00 C ATOM 675 CD1 PHE A 49 -0.202 7.342 -2.571 1.00 0.00 C ATOM 676 CD2 PHE A 49 1.290 5.743 -1.622 1.00 0.00 C ATOM 677 CE1 PHE A 49 -1.281 6.634 -2.077 1.00 0.00 C ATOM 678 CE2 PHE A 49 0.215 5.030 -1.126 1.00 0.00 C ATOM 679 CZ PHE A 49 -1.073 5.477 -1.353 1.00 0.00 C ATOM 0 H PHE A 49 2.942 9.503 -4.456 1.00 0.00 H new ATOM 0 HA PHE A 49 3.209 6.628 -4.510 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.161 7.395 -2.335 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.102 8.740 -2.710 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.371 8.247 -3.136 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.294 5.390 -1.440 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.286 6.985 -2.257 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.381 4.124 -0.562 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.915 4.923 -0.965 1.00 0.00 H new ATOM 689 N LEU A 50 0.460 8.103 -5.503 1.00 0.00 N ATOM 690 CA LEU A 50 -0.814 7.890 -6.180 1.00 0.00 C ATOM 691 C LEU A 50 -0.601 7.283 -7.563 1.00 0.00 C ATOM 692 O LEU A 50 -1.536 6.770 -8.178 1.00 0.00 O ATOM 693 CB LEU A 50 -1.577 9.211 -6.302 1.00 0.00 C ATOM 694 CG LEU A 50 -2.303 9.685 -5.043 1.00 0.00 C ATOM 695 CD1 LEU A 50 -2.933 11.050 -5.272 1.00 0.00 C ATOM 696 CD2 LEU A 50 -3.358 8.673 -4.622 1.00 0.00 C ATOM 0 H LEU A 50 0.721 9.083 -5.395 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.402 7.192 -5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.874 9.987 -6.606 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.309 9.112 -7.104 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.573 9.775 -4.239 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.445 11.371 -4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.156 11.772 -5.525 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.650 10.987 -6.091 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.864 9.027 -3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.085 8.551 -5.424 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.881 7.715 -4.415 1.00 0.00 H new ATOM 708 N PHE A 51 0.635 7.344 -8.046 1.00 0.00 N ATOM 709 CA PHE A 51 0.972 6.799 -9.356 1.00 0.00 C ATOM 710 C PHE A 51 1.536 5.387 -9.230 1.00 0.00 C ATOM 711 O PHE A 51 1.412 4.574 -10.146 1.00 0.00 O ATOM 712 CB PHE A 51 1.984 7.703 -10.063 1.00 0.00 C ATOM 713 CG PHE A 51 2.473 7.148 -11.370 1.00 0.00 C ATOM 714 CD1 PHE A 51 3.371 6.093 -11.398 1.00 0.00 C ATOM 715 CD2 PHE A 51 2.036 7.682 -12.572 1.00 0.00 C ATOM 716 CE1 PHE A 51 3.822 5.579 -12.599 1.00 0.00 C ATOM 717 CE2 PHE A 51 2.484 7.172 -13.776 1.00 0.00 C ATOM 718 CZ PHE A 51 3.379 6.121 -13.790 1.00 0.00 C ATOM 0 H PHE A 51 1.420 7.765 -7.550 1.00 0.00 H new ATOM 0 HA PHE A 51 0.058 6.754 -9.949 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.528 8.677 -10.239 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.837 7.865 -9.404 1.00 0.00 H new ATOM 0 HD1 PHE A 51 3.723 5.667 -10.470 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.338 8.506 -12.568 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.520 4.755 -12.606 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.134 7.596 -14.706 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.732 5.723 -14.730 1.00 0.00 H new ATOM 728 N ILE A 52 2.155 5.104 -8.089 1.00 0.00 N ATOM 729 CA ILE A 52 2.738 3.791 -7.842 1.00 0.00 C ATOM 730 C ILE A 52 1.655 2.724 -7.717 1.00 0.00 C ATOM 731 O ILE A 52 1.800 1.615 -8.231 1.00 0.00 O ATOM 732 CB ILE A 52 3.596 3.787 -6.563 1.00 0.00 C ATOM 733 CG1 ILE A 52 4.833 4.668 -6.751 1.00 0.00 C ATOM 734 CG2 ILE A 52 4.001 2.366 -6.202 1.00 0.00 C ATOM 735 CD1 ILE A 52 5.395 5.205 -5.453 1.00 0.00 C ATOM 0 H ILE A 52 2.266 5.766 -7.321 1.00 0.00 H new ATOM 0 HA ILE A 52 3.374 3.562 -8.697 1.00 0.00 H new ATOM 0 HB ILE A 52 3.004 4.194 -5.744 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.605 4.092 -7.261 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.578 5.505 -7.401 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.607 2.379 -5.296 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.108 1.765 -6.032 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.579 1.934 -7.019 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.270 5.821 -5.662 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.639 5.808 -4.951 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.682 4.374 -4.809 1.00 0.00 H new ATOM 747 N ARG A 53 0.569 3.068 -7.033 1.00 0.00 N ATOM 748 CA ARG A 53 -0.539 2.140 -6.841 1.00 0.00 C ATOM 749 C ARG A 53 -1.285 1.906 -8.151 1.00 0.00 C ATOM 750 O ARG A 53 -1.852 0.837 -8.372 1.00 0.00 O ATOM 751 CB ARG A 53 -1.503 2.676 -5.781 1.00 0.00 C ATOM 752 CG ARG A 53 -2.451 3.743 -6.304 1.00 0.00 C ATOM 753 CD ARG A 53 -3.811 3.660 -5.629 1.00 0.00 C ATOM 754 NE ARG A 53 -3.894 4.528 -4.457 1.00 0.00 N ATOM 755 CZ ARG A 53 -4.417 5.749 -4.484 1.00 0.00 C ATOM 756 NH1 ARG A 53 -4.900 6.243 -5.615 1.00 0.00 N ATOM 757 NH2 ARG A 53 -4.457 6.479 -3.376 1.00 0.00 N ATOM 0 H ARG A 53 0.433 3.983 -6.602 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.129 1.189 -6.502 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.087 1.847 -5.381 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.926 3.088 -4.953 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.019 4.729 -6.135 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.571 3.628 -7.381 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.587 3.938 -6.342 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.006 2.630 -5.332 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.531 4.178 -3.570 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.871 5.685 -6.469 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.301 7.181 -5.632 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.086 6.103 -2.504 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.859 7.416 -3.397 1.00 0.00 H new ATOM 771 N ASN A 54 -1.280 2.915 -9.017 1.00 0.00 N ATOM 772 CA ASN A 54 -1.958 2.819 -10.305 1.00 0.00 C ATOM 773 C ASN A 54 -1.253 1.821 -11.218 1.00 0.00 C ATOM 774 O ASN A 54 -1.897 1.003 -11.876 1.00 0.00 O ATOM 775 CB ASN A 54 -2.013 4.192 -10.979 1.00 0.00 C ATOM 776 CG ASN A 54 -3.152 5.046 -10.457 1.00 0.00 C ATOM 777 OD1 ASN A 54 -4.221 4.537 -10.120 1.00 0.00 O ATOM 778 ND2 ASN A 54 -2.928 6.353 -10.388 1.00 0.00 N ATOM 0 H ASN A 54 -0.815 3.807 -8.850 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.974 2.467 -10.127 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.069 4.712 -10.817 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.124 4.061 -12.055 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.657 6.978 -10.045 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.027 6.732 -10.678 1.00 0.00 H new ATOM 785 N ARG A 55 0.074 1.893 -11.252 1.00 0.00 N ATOM 786 CA ARG A 55 0.867 0.997 -12.085 1.00 0.00 C ATOM 787 C ARG A 55 0.768 -0.441 -11.582 1.00 0.00 C ATOM 788 O ARG A 55 0.479 -1.360 -12.349 1.00 0.00 O ATOM 789 CB ARG A 55 2.330 1.443 -12.102 1.00 0.00 C ATOM 790 CG ARG A 55 2.664 2.392 -13.241 1.00 0.00 C ATOM 791 CD ARG A 55 3.150 1.639 -14.470 1.00 0.00 C ATOM 792 NE ARG A 55 2.256 0.540 -14.827 1.00 0.00 N ATOM 793 CZ ARG A 55 2.118 0.078 -16.064 1.00 0.00 C ATOM 794 NH1 ARG A 55 2.812 0.616 -17.058 1.00 0.00 N ATOM 795 NH2 ARG A 55 1.285 -0.925 -16.311 1.00 0.00 N ATOM 0 H ARG A 55 0.622 2.563 -10.712 1.00 0.00 H new ATOM 0 HA ARG A 55 0.471 1.038 -13.100 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.564 1.929 -11.155 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.969 0.563 -12.175 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.782 2.979 -13.498 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.431 3.095 -12.917 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.230 2.329 -15.310 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.150 1.247 -14.283 1.00 0.00 H new ATOM 0 HE ARG A 55 1.708 0.104 -14.085 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.454 1.387 -16.873 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.704 0.259 -18.007 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.749 -1.342 -15.550 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.180 -1.279 -17.262 1.00 0.00 H new ATOM 809 N THR A 56 1.011 -0.628 -10.289 1.00 0.00 N ATOM 810 CA THR A 56 0.951 -1.953 -9.684 1.00 0.00 C ATOM 811 C THR A 56 -0.265 -2.728 -10.177 1.00 0.00 C ATOM 812 O THR A 56 -0.168 -3.912 -10.503 1.00 0.00 O ATOM 813 CB THR A 56 0.902 -1.867 -8.147 1.00 0.00 C ATOM 814 OG1 THR A 56 2.088 -1.234 -7.653 1.00 0.00 O ATOM 815 CG2 THR A 56 0.765 -3.251 -7.531 1.00 0.00 C ATOM 0 H THR A 56 1.251 0.121 -9.640 1.00 0.00 H new ATOM 0 HA THR A 56 1.858 -2.478 -9.983 1.00 0.00 H new ATOM 0 HB THR A 56 0.031 -1.275 -7.866 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.041 -0.270 -7.826 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.733 -3.164 -6.445 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.154 -3.718 -7.885 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.618 -3.864 -7.821 1.00 0.00 H new ATOM 823 N LEU A 57 -1.408 -2.055 -10.232 1.00 0.00 N ATOM 824 CA LEU A 57 -2.645 -2.681 -10.687 1.00 0.00 C ATOM 825 C LEU A 57 -2.666 -2.800 -12.208 1.00 0.00 C ATOM 826 O LEU A 57 -3.084 -3.821 -12.753 1.00 0.00 O ATOM 827 CB LEU A 57 -3.854 -1.875 -10.210 1.00 0.00 C ATOM 828 CG LEU A 57 -4.351 -2.183 -8.797 1.00 0.00 C ATOM 829 CD1 LEU A 57 -5.340 -1.124 -8.336 1.00 0.00 C ATOM 830 CD2 LEU A 57 -4.985 -3.566 -8.745 1.00 0.00 C ATOM 0 H LEU A 57 -1.505 -1.075 -9.967 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.695 -3.683 -10.261 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.603 -0.816 -10.262 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.675 -2.043 -10.907 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.496 -2.171 -8.121 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.683 -1.360 -7.329 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.854 -0.148 -8.335 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.193 -1.103 -9.014 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.333 -3.769 -7.732 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.829 -3.605 -9.434 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.247 -4.315 -9.032 1.00 0.00 H new ATOM 842 N GLN A 58 -2.212 -1.751 -12.885 1.00 0.00 N ATOM 843 CA GLN A 58 -2.178 -1.740 -14.343 1.00 0.00 C ATOM 844 C GLN A 58 -1.492 -2.991 -14.881 1.00 0.00 C ATOM 845 O GLN A 58 -2.100 -3.783 -15.602 1.00 0.00 O ATOM 846 CB GLN A 58 -1.455 -0.490 -14.847 1.00 0.00 C ATOM 847 CG GLN A 58 -2.362 0.721 -14.992 1.00 0.00 C ATOM 848 CD GLN A 58 -3.313 0.601 -16.167 1.00 0.00 C ATOM 849 OE1 GLN A 58 -4.426 0.095 -16.030 1.00 0.00 O ATOM 850 NE2 GLN A 58 -2.877 1.068 -17.331 1.00 0.00 N ATOM 0 H GLN A 58 -1.863 -0.898 -12.448 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.206 -1.728 -14.706 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.645 -0.247 -14.159 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.998 -0.709 -15.812 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.938 0.851 -14.076 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.751 1.615 -15.114 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.946 1.480 -17.399 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.473 1.015 -18.157 1.00 0.00 H new ATOM 859 N LEU A 59 -0.223 -3.162 -14.527 1.00 0.00 N ATOM 860 CA LEU A 59 0.547 -4.318 -14.975 1.00 0.00 C ATOM 861 C LEU A 59 -0.175 -5.618 -14.636 1.00 0.00 C ATOM 862 O LEU A 59 -0.141 -6.578 -15.406 1.00 0.00 O ATOM 863 CB LEU A 59 1.935 -4.310 -14.333 1.00 0.00 C ATOM 864 CG LEU A 59 2.723 -3.005 -14.454 1.00 0.00 C ATOM 865 CD1 LEU A 59 3.687 -2.853 -13.287 1.00 0.00 C ATOM 866 CD2 LEU A 59 3.473 -2.955 -15.777 1.00 0.00 C ATOM 0 H LEU A 59 0.295 -2.516 -13.931 1.00 0.00 H new ATOM 0 HA LEU A 59 0.654 -4.255 -16.058 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.825 -4.548 -13.275 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.525 -5.110 -14.780 1.00 0.00 H new ATOM 0 HG LEU A 59 2.018 -2.174 -14.427 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.239 -1.919 -13.390 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.127 -2.842 -12.352 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.387 -3.689 -13.282 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.028 -2.019 -15.845 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.167 -3.794 -15.834 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.762 -3.016 -16.601 1.00 0.00 H new ATOM 878 N TRP A 60 -0.830 -5.641 -13.480 1.00 0.00 N ATOM 879 CA TRP A 60 -1.562 -6.823 -13.040 1.00 0.00 C ATOM 880 C TRP A 60 -2.839 -7.006 -13.854 1.00 0.00 C ATOM 881 O TRP A 60 -3.320 -8.127 -14.028 1.00 0.00 O ATOM 882 CB TRP A 60 -1.903 -6.713 -11.553 1.00 0.00 C ATOM 883 CG TRP A 60 -3.152 -7.449 -11.173 1.00 0.00 C ATOM 884 CD1 TRP A 60 -4.424 -6.953 -11.160 1.00 0.00 C ATOM 885 CD2 TRP A 60 -3.247 -8.813 -10.750 1.00 0.00 C ATOM 886 NE1 TRP A 60 -5.304 -7.926 -10.754 1.00 0.00 N ATOM 887 CE2 TRP A 60 -4.607 -9.077 -10.497 1.00 0.00 C ATOM 888 CE3 TRP A 60 -2.316 -9.838 -10.561 1.00 0.00 C ATOM 889 CZ2 TRP A 60 -5.056 -10.322 -10.066 1.00 0.00 C ATOM 890 CZ3 TRP A 60 -2.763 -11.073 -10.132 1.00 0.00 C ATOM 891 CH2 TRP A 60 -4.123 -11.308 -9.889 1.00 0.00 C ATOM 0 H TRP A 60 -0.869 -4.855 -12.831 1.00 0.00 H new ATOM 0 HA TRP A 60 -0.925 -7.693 -13.196 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -1.069 -7.100 -10.967 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -2.016 -5.661 -11.290 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.698 -5.944 -11.429 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.313 -7.810 -10.659 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.266 -9.668 -10.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -6.104 -10.504 -9.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -2.052 -11.871 -9.981 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.441 -12.285 -9.556 1.00 0.00 H new ATOM 902 N LEU A 61 -3.383 -5.901 -14.351 1.00 0.00 N ATOM 903 CA LEU A 61 -4.604 -5.940 -15.147 1.00 0.00 C ATOM 904 C LEU A 61 -4.332 -6.513 -16.534 1.00 0.00 C ATOM 905 O LEU A 61 -5.240 -7.005 -17.204 1.00 0.00 O ATOM 906 CB LEU A 61 -5.202 -4.538 -15.271 1.00 0.00 C ATOM 907 CG LEU A 61 -6.200 -4.135 -14.185 1.00 0.00 C ATOM 908 CD1 LEU A 61 -6.514 -2.650 -14.272 1.00 0.00 C ATOM 909 CD2 LEU A 61 -7.475 -4.959 -14.300 1.00 0.00 C ATOM 0 H LEU A 61 -2.997 -4.966 -14.217 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.318 -6.589 -14.639 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.386 -3.816 -15.272 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.698 -4.461 -16.239 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.749 -4.333 -13.213 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.226 -2.382 -13.491 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.597 -2.076 -14.139 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.945 -2.426 -15.248 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.174 -4.659 -13.519 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.929 -4.793 -15.277 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.236 -6.016 -14.186 1.00 0.00 H new ATOM 921 N ASP A 62 -3.074 -6.449 -16.959 1.00 0.00 N ATOM 922 CA ASP A 62 -2.681 -6.964 -18.265 1.00 0.00 C ATOM 923 C ASP A 62 -2.207 -8.410 -18.158 1.00 0.00 C ATOM 924 O ASP A 62 -2.387 -9.202 -19.082 1.00 0.00 O ATOM 925 CB ASP A 62 -1.575 -6.095 -18.867 1.00 0.00 C ATOM 926 CG ASP A 62 -1.194 -6.533 -20.268 1.00 0.00 C ATOM 927 OD1 ASP A 62 -1.909 -6.158 -21.221 1.00 0.00 O ATOM 928 OD2 ASP A 62 -0.182 -7.250 -20.411 1.00 0.00 O ATOM 0 H ASP A 62 -2.310 -6.045 -16.418 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.553 -6.934 -18.918 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.905 -5.056 -18.891 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.695 -6.135 -18.225 1.00 0.00 H new ATOM 933 N ASN A 63 -1.600 -8.747 -17.025 1.00 0.00 N ATOM 934 CA ASN A 63 -1.099 -10.097 -16.798 1.00 0.00 C ATOM 935 C ASN A 63 -1.478 -10.592 -15.405 1.00 0.00 C ATOM 936 O ASN A 63 -0.632 -11.014 -14.618 1.00 0.00 O ATOM 937 CB ASN A 63 0.421 -10.135 -16.968 1.00 0.00 C ATOM 938 CG ASN A 63 0.913 -11.474 -17.483 1.00 0.00 C ATOM 939 OD1 ASN A 63 1.283 -11.605 -18.650 1.00 0.00 O ATOM 940 ND2 ASN A 63 0.918 -12.476 -16.612 1.00 0.00 N ATOM 0 H ASN A 63 -1.443 -8.103 -16.249 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.557 -10.756 -17.536 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.726 -9.349 -17.659 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.896 -9.920 -16.011 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.238 -13.401 -16.900 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.602 -12.321 -15.655 1.00 0.00 H new ATOM 947 N PRO A 64 -2.782 -10.539 -15.094 1.00 0.00 N ATOM 948 CA PRO A 64 -3.304 -10.978 -13.796 1.00 0.00 C ATOM 949 C PRO A 64 -3.223 -12.491 -13.621 1.00 0.00 C ATOM 950 O PRO A 64 -3.666 -13.034 -12.609 1.00 0.00 O ATOM 951 CB PRO A 64 -4.764 -10.521 -13.829 1.00 0.00 C ATOM 952 CG PRO A 64 -5.109 -10.455 -15.276 1.00 0.00 C ATOM 953 CD PRO A 64 -3.846 -10.047 -15.984 1.00 0.00 C ATOM 0 HA PRO A 64 -2.732 -10.565 -12.965 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.410 -11.222 -13.300 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.886 -9.550 -13.349 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.465 -11.420 -15.637 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.907 -9.734 -15.455 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.779 -10.494 -16.976 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.791 -8.967 -16.117 1.00 0.00 H new ATOM 961 N LYS A 65 -2.653 -13.167 -14.613 1.00 0.00 N ATOM 962 CA LYS A 65 -2.512 -14.618 -14.568 1.00 0.00 C ATOM 963 C LYS A 65 -1.233 -15.017 -13.840 1.00 0.00 C ATOM 964 O LYS A 65 -0.852 -16.188 -13.833 1.00 0.00 O ATOM 965 CB LYS A 65 -2.506 -15.194 -15.986 1.00 0.00 C ATOM 966 CG LYS A 65 -1.657 -14.398 -16.962 1.00 0.00 C ATOM 967 CD LYS A 65 -1.181 -15.260 -18.120 1.00 0.00 C ATOM 968 CE LYS A 65 0.162 -14.786 -18.652 1.00 0.00 C ATOM 969 NZ LYS A 65 1.300 -15.462 -17.969 1.00 0.00 N ATOM 0 H LYS A 65 -2.281 -12.733 -15.458 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.362 -15.025 -14.021 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.139 -16.220 -15.951 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.530 -15.234 -16.357 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.235 -13.558 -17.347 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.796 -13.981 -16.440 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.099 -16.297 -17.794 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.920 -15.236 -18.921 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.216 -14.978 -19.724 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.246 -13.708 -18.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.093 -14.796 -17.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.999 -15.780 -17.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.604 -16.283 -18.531 1.00 0.00 H new ATOM 983 N ILE A 66 -0.575 -14.039 -13.228 1.00 0.00 N ATOM 984 CA ILE A 66 0.659 -14.290 -12.495 1.00 0.00 C ATOM 985 C ILE A 66 0.751 -13.408 -11.254 1.00 0.00 C ATOM 986 O ILE A 66 0.172 -12.324 -11.208 1.00 0.00 O ATOM 987 CB ILE A 66 1.898 -14.046 -13.377 1.00 0.00 C ATOM 988 CG1 ILE A 66 2.196 -12.549 -13.473 1.00 0.00 C ATOM 989 CG2 ILE A 66 1.686 -14.639 -14.763 1.00 0.00 C ATOM 990 CD1 ILE A 66 3.474 -12.233 -14.218 1.00 0.00 C ATOM 0 H ILE A 66 -0.876 -13.064 -13.225 1.00 0.00 H new ATOM 0 HA ILE A 66 0.639 -15.337 -12.193 1.00 0.00 H new ATOM 0 HB ILE A 66 2.755 -14.539 -12.918 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.363 -12.052 -13.970 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.260 -12.134 -12.467 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.570 -14.459 -15.375 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.517 -15.712 -14.677 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.820 -14.171 -15.230 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.621 -11.153 -14.247 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.317 -12.701 -13.709 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.406 -12.617 -15.236 1.00 0.00 H new ATOM 1002 N GLN A 67 1.485 -13.881 -10.252 1.00 0.00 N ATOM 1003 CA GLN A 67 1.654 -13.134 -9.011 1.00 0.00 C ATOM 1004 C GLN A 67 2.606 -11.959 -9.208 1.00 0.00 C ATOM 1005 O GLN A 67 3.731 -12.130 -9.680 1.00 0.00 O ATOM 1006 CB GLN A 67 2.179 -14.052 -7.906 1.00 0.00 C ATOM 1007 CG GLN A 67 3.678 -14.298 -7.981 1.00 0.00 C ATOM 1008 CD GLN A 67 4.098 -14.946 -9.286 1.00 0.00 C ATOM 1009 OE1 GLN A 67 3.693 -16.066 -9.595 1.00 0.00 O ATOM 1010 NE2 GLN A 67 4.916 -14.241 -10.060 1.00 0.00 N ATOM 0 H GLN A 67 1.972 -14.777 -10.275 1.00 0.00 H new ATOM 0 HA GLN A 67 0.680 -12.743 -8.716 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.939 -13.615 -6.937 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.659 -15.008 -7.962 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.204 -13.351 -7.864 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.980 -14.935 -7.150 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.227 -13.316 -9.764 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.233 -14.625 -10.950 1.00 0.00 H new ATOM 1019 N LEU A 68 2.148 -10.766 -8.844 1.00 0.00 N ATOM 1020 CA LEU A 68 2.960 -9.562 -8.981 1.00 0.00 C ATOM 1021 C LEU A 68 3.781 -9.312 -7.721 1.00 0.00 C ATOM 1022 O LEU A 68 3.282 -8.762 -6.739 1.00 0.00 O ATOM 1023 CB LEU A 68 2.068 -8.353 -9.270 1.00 0.00 C ATOM 1024 CG LEU A 68 2.785 -7.088 -9.746 1.00 0.00 C ATOM 1025 CD1 LEU A 68 3.365 -7.295 -11.136 1.00 0.00 C ATOM 1026 CD2 LEU A 68 1.834 -5.900 -9.733 1.00 0.00 C ATOM 0 H LEU A 68 1.220 -10.607 -8.452 1.00 0.00 H new ATOM 0 HA LEU A 68 3.646 -9.709 -9.815 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.337 -8.639 -10.026 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.512 -8.112 -8.364 1.00 0.00 H new ATOM 0 HG LEU A 68 3.606 -6.878 -9.060 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.871 -6.385 -11.458 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.079 -8.119 -11.114 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.562 -7.530 -11.834 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.360 -5.009 -10.074 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.992 -6.100 -10.396 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.467 -5.739 -8.719 1.00 0.00 H new ATOM 1038 N THR A 69 5.047 -9.719 -7.755 1.00 0.00 N ATOM 1039 CA THR A 69 5.938 -9.539 -6.616 1.00 0.00 C ATOM 1040 C THR A 69 6.314 -8.072 -6.438 1.00 0.00 C ATOM 1041 O THR A 69 5.868 -7.211 -7.197 1.00 0.00 O ATOM 1042 CB THR A 69 7.225 -10.371 -6.774 1.00 0.00 C ATOM 1043 OG1 THR A 69 7.990 -9.885 -7.882 1.00 0.00 O ATOM 1044 CG2 THR A 69 6.897 -11.841 -6.984 1.00 0.00 C ATOM 0 H THR A 69 5.477 -10.175 -8.559 1.00 0.00 H new ATOM 0 HA THR A 69 5.397 -9.882 -5.734 1.00 0.00 H new ATOM 0 HB THR A 69 7.809 -10.273 -5.859 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.807 -10.418 -7.974 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.821 -12.408 -7.093 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.340 -12.216 -6.125 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.294 -11.954 -7.885 1.00 0.00 H new ATOM 1052 N PHE A 70 7.136 -7.795 -5.432 1.00 0.00 N ATOM 1053 CA PHE A 70 7.571 -6.431 -5.155 1.00 0.00 C ATOM 1054 C PHE A 70 8.633 -5.984 -6.156 1.00 0.00 C ATOM 1055 O PHE A 70 8.638 -4.836 -6.598 1.00 0.00 O ATOM 1056 CB PHE A 70 8.122 -6.329 -3.731 1.00 0.00 C ATOM 1057 CG PHE A 70 9.001 -5.131 -3.513 1.00 0.00 C ATOM 1058 CD1 PHE A 70 8.452 -3.903 -3.181 1.00 0.00 C ATOM 1059 CD2 PHE A 70 10.377 -5.232 -3.639 1.00 0.00 C ATOM 1060 CE1 PHE A 70 9.259 -2.799 -2.980 1.00 0.00 C ATOM 1061 CE2 PHE A 70 11.189 -4.132 -3.439 1.00 0.00 C ATOM 1062 CZ PHE A 70 10.629 -2.914 -3.109 1.00 0.00 C ATOM 0 H PHE A 70 7.514 -8.496 -4.795 1.00 0.00 H new ATOM 0 HA PHE A 70 6.707 -5.774 -5.252 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.289 -6.291 -3.029 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.689 -7.232 -3.504 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.381 -3.807 -3.078 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.821 -6.182 -3.897 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.818 -1.847 -2.722 1.00 0.00 H new ATOM 0 HE2 PHE A 70 12.260 -4.225 -3.541 1.00 0.00 H new ATOM 0 HZ PHE A 70 11.261 -2.053 -2.952 1.00 0.00 H new ATOM 1072 N GLU A 71 9.530 -6.901 -6.507 1.00 0.00 N ATOM 1073 CA GLU A 71 10.597 -6.601 -7.454 1.00 0.00 C ATOM 1074 C GLU A 71 10.023 -6.191 -8.808 1.00 0.00 C ATOM 1075 O GLU A 71 10.249 -5.076 -9.277 1.00 0.00 O ATOM 1076 CB GLU A 71 11.514 -7.814 -7.624 1.00 0.00 C ATOM 1077 CG GLU A 71 12.678 -7.837 -6.647 1.00 0.00 C ATOM 1078 CD GLU A 71 13.828 -6.953 -7.088 1.00 0.00 C ATOM 1079 OE1 GLU A 71 13.567 -5.814 -7.526 1.00 0.00 O ATOM 1080 OE2 GLU A 71 14.990 -7.402 -6.993 1.00 0.00 O ATOM 0 H GLU A 71 9.539 -7.856 -6.150 1.00 0.00 H new ATOM 0 HA GLU A 71 11.177 -5.768 -7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.927 -8.724 -7.498 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.904 -7.825 -8.642 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.331 -7.512 -5.666 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.034 -8.861 -6.536 1.00 0.00 H new ATOM 1087 N ALA A 72 9.281 -7.101 -9.430 1.00 0.00 N ATOM 1088 CA ALA A 72 8.673 -6.834 -10.728 1.00 0.00 C ATOM 1089 C ALA A 72 8.018 -5.457 -10.754 1.00 0.00 C ATOM 1090 O ALA A 72 8.329 -4.626 -11.608 1.00 0.00 O ATOM 1091 CB ALA A 72 7.655 -7.912 -11.066 1.00 0.00 C ATOM 0 H ALA A 72 9.086 -8.030 -9.056 1.00 0.00 H new ATOM 0 HA ALA A 72 9.461 -6.847 -11.481 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.209 -7.700 -12.038 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.150 -8.883 -11.098 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.875 -7.928 -10.305 1.00 0.00 H new ATOM 1097 N THR A 73 7.107 -5.222 -9.815 1.00 0.00 N ATOM 1098 CA THR A 73 6.405 -3.948 -9.732 1.00 0.00 C ATOM 1099 C THR A 73 7.386 -2.780 -9.729 1.00 0.00 C ATOM 1100 O THR A 73 7.147 -1.754 -10.368 1.00 0.00 O ATOM 1101 CB THR A 73 5.529 -3.870 -8.468 1.00 0.00 C ATOM 1102 OG1 THR A 73 4.569 -4.932 -8.471 1.00 0.00 O ATOM 1103 CG2 THR A 73 4.811 -2.531 -8.389 1.00 0.00 C ATOM 0 H THR A 73 6.838 -5.899 -9.101 1.00 0.00 H new ATOM 0 HA THR A 73 5.766 -3.881 -10.612 1.00 0.00 H new ATOM 0 HB THR A 73 6.177 -3.969 -7.597 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.960 -5.727 -8.052 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.198 -2.499 -7.488 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.545 -1.726 -8.357 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.174 -2.407 -9.265 1.00 0.00 H new ATOM 1111 N LEU A 74 8.489 -2.942 -9.008 1.00 0.00 N ATOM 1112 CA LEU A 74 9.507 -1.900 -8.923 1.00 0.00 C ATOM 1113 C LEU A 74 10.210 -1.715 -10.265 1.00 0.00 C ATOM 1114 O LEU A 74 10.222 -0.618 -10.822 1.00 0.00 O ATOM 1115 CB LEU A 74 10.532 -2.248 -7.842 1.00 0.00 C ATOM 1116 CG LEU A 74 11.827 -1.436 -7.858 1.00 0.00 C ATOM 1117 CD1 LEU A 74 11.647 -0.129 -7.102 1.00 0.00 C ATOM 1118 CD2 LEU A 74 12.972 -2.244 -7.265 1.00 0.00 C ATOM 0 H LEU A 74 8.702 -3.784 -8.474 1.00 0.00 H new ATOM 0 HA LEU A 74 9.013 -0.965 -8.660 1.00 0.00 H new ATOM 0 HB2 LEU A 74 10.060 -2.122 -6.868 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.787 -3.303 -7.938 1.00 0.00 H new ATOM 0 HG LEU A 74 12.073 -1.202 -8.894 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.579 0.435 -7.124 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.857 0.457 -7.571 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.376 -0.341 -6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 74 13.885 -1.650 -7.285 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.734 -2.510 -6.235 1.00 0.00 H new ATOM 0 HD23 LEU A 74 13.117 -3.152 -7.850 1.00 0.00 H new ATOM 1130 N GLN A 75 10.791 -2.795 -10.777 1.00 0.00 N ATOM 1131 CA GLN A 75 11.493 -2.751 -12.054 1.00 0.00 C ATOM 1132 C GLN A 75 10.642 -2.070 -13.120 1.00 0.00 C ATOM 1133 O GLN A 75 11.107 -1.167 -13.816 1.00 0.00 O ATOM 1134 CB GLN A 75 11.863 -4.164 -12.506 1.00 0.00 C ATOM 1135 CG GLN A 75 12.855 -4.857 -11.585 1.00 0.00 C ATOM 1136 CD GLN A 75 13.598 -5.986 -12.271 1.00 0.00 C ATOM 1137 OE1 GLN A 75 13.211 -7.151 -12.170 1.00 0.00 O ATOM 1138 NE2 GLN A 75 14.672 -5.647 -12.975 1.00 0.00 N ATOM 0 H GLN A 75 10.789 -3.711 -10.327 1.00 0.00 H new ATOM 0 HA GLN A 75 12.405 -2.170 -11.918 1.00 0.00 H new ATOM 0 HB2 GLN A 75 10.956 -4.766 -12.568 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.284 -4.117 -13.510 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.574 -4.126 -11.216 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.326 -5.250 -10.717 1.00 0.00 H new ATOM 0 HE21 GLN A 75 14.957 -4.669 -13.032 1.00 0.00 H new ATOM 0 HE22 GLN A 75 15.212 -6.364 -13.459 1.00 0.00 H new ATOM 1147 N GLN A 76 9.393 -2.509 -13.243 1.00 0.00 N ATOM 1148 CA GLN A 76 8.478 -1.942 -14.226 1.00 0.00 C ATOM 1149 C GLN A 76 8.225 -0.464 -13.946 1.00 0.00 C ATOM 1150 O GLN A 76 8.087 0.339 -14.870 1.00 0.00 O ATOM 1151 CB GLN A 76 7.153 -2.707 -14.222 1.00 0.00 C ATOM 1152 CG GLN A 76 7.288 -4.158 -14.656 1.00 0.00 C ATOM 1153 CD GLN A 76 6.182 -5.037 -14.105 1.00 0.00 C ATOM 1154 OE1 GLN A 76 5.466 -5.699 -14.857 1.00 0.00 O ATOM 1155 NE2 GLN A 76 6.036 -5.048 -12.785 1.00 0.00 N ATOM 0 H GLN A 76 8.992 -3.255 -12.674 1.00 0.00 H new ATOM 0 HA GLN A 76 8.940 -2.033 -15.209 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.727 -2.674 -13.219 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.449 -2.202 -14.884 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.280 -4.210 -15.745 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.252 -4.544 -14.326 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.652 -4.484 -12.199 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.308 -5.621 -12.357 1.00 0.00 H new ATOM 1164 N LEU A 77 8.166 -0.111 -12.667 1.00 0.00 N ATOM 1165 CA LEU A 77 7.930 1.271 -12.264 1.00 0.00 C ATOM 1166 C LEU A 77 9.032 2.186 -12.788 1.00 0.00 C ATOM 1167 O LEU A 77 10.118 1.727 -13.140 1.00 0.00 O ATOM 1168 CB LEU A 77 7.847 1.372 -10.740 1.00 0.00 C ATOM 1169 CG LEU A 77 6.445 1.282 -10.137 1.00 0.00 C ATOM 1170 CD1 LEU A 77 6.509 0.735 -8.719 1.00 0.00 C ATOM 1171 CD2 LEU A 77 5.768 2.645 -10.155 1.00 0.00 C ATOM 0 H LEU A 77 8.278 -0.763 -11.891 1.00 0.00 H new ATOM 0 HA LEU A 77 6.982 1.593 -12.694 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.458 0.578 -10.309 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.292 2.319 -10.434 1.00 0.00 H new ATOM 0 HG LEU A 77 5.852 0.597 -10.743 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.502 0.678 -8.305 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.953 -0.260 -8.733 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.118 1.395 -8.101 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.771 2.562 -9.722 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.359 3.352 -9.573 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.689 2.998 -11.183 1.00 0.00 H new ATOM 1183 N GLU A 78 8.745 3.484 -12.833 1.00 0.00 N ATOM 1184 CA GLU A 78 9.714 4.463 -13.311 1.00 0.00 C ATOM 1185 C GLU A 78 9.897 5.588 -12.296 1.00 0.00 C ATOM 1186 O GLU A 78 8.943 6.278 -11.940 1.00 0.00 O ATOM 1187 CB GLU A 78 9.265 5.042 -14.655 1.00 0.00 C ATOM 1188 CG GLU A 78 7.917 5.739 -14.598 1.00 0.00 C ATOM 1189 CD GLU A 78 7.494 6.304 -15.940 1.00 0.00 C ATOM 1190 OE1 GLU A 78 7.771 5.654 -16.970 1.00 0.00 O ATOM 1191 OE2 GLU A 78 6.887 7.395 -15.961 1.00 0.00 O ATOM 0 H GLU A 78 7.851 3.881 -12.545 1.00 0.00 H new ATOM 0 HA GLU A 78 10.670 3.956 -13.442 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.016 5.750 -15.005 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.218 4.238 -15.390 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.162 5.034 -14.251 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.960 6.545 -13.866 1.00 0.00 H new ATOM 1198 N ALA A 79 11.131 5.765 -11.835 1.00 0.00 N ATOM 1199 CA ALA A 79 11.440 6.806 -10.863 1.00 0.00 C ATOM 1200 C ALA A 79 10.802 8.133 -11.257 1.00 0.00 C ATOM 1201 O ALA A 79 10.492 8.378 -12.423 1.00 0.00 O ATOM 1202 CB ALA A 79 12.947 6.964 -10.720 1.00 0.00 C ATOM 0 H ALA A 79 11.932 5.201 -12.119 1.00 0.00 H new ATOM 0 HA ALA A 79 11.024 6.505 -9.901 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.163 7.745 -9.991 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.381 6.023 -10.383 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.377 7.238 -11.683 1.00 0.00 H new ATOM 1208 N PRO A 80 10.601 9.012 -10.265 1.00 0.00 N ATOM 1209 CA PRO A 80 10.966 8.732 -8.873 1.00 0.00 C ATOM 1210 C PRO A 80 10.074 7.667 -8.243 1.00 0.00 C ATOM 1211 O PRO A 80 10.339 7.198 -7.136 1.00 0.00 O ATOM 1212 CB PRO A 80 10.764 10.079 -8.175 1.00 0.00 C ATOM 1213 CG PRO A 80 9.754 10.790 -9.008 1.00 0.00 C ATOM 1214 CD PRO A 80 10.000 10.347 -10.424 1.00 0.00 C ATOM 0 HA PRO A 80 11.980 8.341 -8.789 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.411 9.946 -7.152 1.00 0.00 H new ATOM 0 HB3 PRO A 80 11.697 10.640 -8.119 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.741 10.540 -8.691 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.861 11.871 -8.913 1.00 0.00 H new ATOM 0 HD2 PRO A 80 9.075 10.305 -10.998 1.00 0.00 H new ATOM 0 HD3 PRO A 80 10.670 11.029 -10.948 1.00 0.00 H new ATOM 1222 N TYR A 81 9.019 7.289 -8.955 1.00 0.00 N ATOM 1223 CA TYR A 81 8.087 6.280 -8.465 1.00 0.00 C ATOM 1224 C TYR A 81 8.833 5.128 -7.798 1.00 0.00 C ATOM 1225 O TYR A 81 8.519 4.738 -6.675 1.00 0.00 O ATOM 1226 CB TYR A 81 7.227 5.750 -9.612 1.00 0.00 C ATOM 1227 CG TYR A 81 6.612 6.839 -10.462 1.00 0.00 C ATOM 1228 CD1 TYR A 81 6.238 8.055 -9.903 1.00 0.00 C ATOM 1229 CD2 TYR A 81 6.404 6.652 -11.823 1.00 0.00 C ATOM 1230 CE1 TYR A 81 5.675 9.053 -10.675 1.00 0.00 C ATOM 1231 CE2 TYR A 81 5.843 7.645 -12.603 1.00 0.00 C ATOM 1232 CZ TYR A 81 5.480 8.843 -12.024 1.00 0.00 C ATOM 1233 OH TYR A 81 4.920 9.834 -12.798 1.00 0.00 O ATOM 0 H TYR A 81 8.787 7.666 -9.874 1.00 0.00 H new ATOM 0 HA TYR A 81 7.441 6.749 -7.723 1.00 0.00 H new ATOM 0 HB2 TYR A 81 7.838 5.107 -10.246 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.431 5.129 -9.201 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.390 8.223 -8.847 1.00 0.00 H new ATOM 0 HD2 TYR A 81 6.686 5.714 -12.279 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.389 9.992 -10.225 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.690 7.484 -13.660 1.00 0.00 H new ATOM 0 HH TYR A 81 4.853 9.526 -13.726 1.00 0.00 H new ATOM 1243 N ASN A 82 9.824 4.588 -8.501 1.00 0.00 N ATOM 1244 CA ASN A 82 10.615 3.480 -7.979 1.00 0.00 C ATOM 1245 C ASN A 82 11.708 3.987 -7.043 1.00 0.00 C ATOM 1246 O ASN A 82 12.080 3.311 -6.083 1.00 0.00 O ATOM 1247 CB ASN A 82 11.241 2.687 -9.129 1.00 0.00 C ATOM 1248 CG ASN A 82 12.420 3.407 -9.753 1.00 0.00 C ATOM 1249 OD1 ASN A 82 13.361 3.797 -9.061 1.00 0.00 O ATOM 1250 ND2 ASN A 82 12.375 3.585 -11.068 1.00 0.00 N ATOM 0 H ASN A 82 10.098 4.900 -9.433 1.00 0.00 H new ATOM 0 HA ASN A 82 9.951 2.826 -7.414 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.566 1.714 -8.761 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.486 2.502 -9.893 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.141 4.062 -11.545 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.575 3.245 -11.602 1.00 0.00 H new ATOM 1257 N SER A 83 12.218 5.181 -7.328 1.00 0.00 N ATOM 1258 CA SER A 83 13.270 5.777 -6.513 1.00 0.00 C ATOM 1259 C SER A 83 13.073 5.439 -5.038 1.00 0.00 C ATOM 1260 O SER A 83 13.979 4.925 -4.381 1.00 0.00 O ATOM 1261 CB SER A 83 13.292 7.295 -6.702 1.00 0.00 C ATOM 1262 OG SER A 83 14.319 7.890 -5.927 1.00 0.00 O ATOM 0 H SER A 83 11.920 5.754 -8.117 1.00 0.00 H new ATOM 0 HA SER A 83 14.225 5.364 -6.837 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.443 7.531 -7.755 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.327 7.714 -6.417 1.00 0.00 H new ATOM 0 HG SER A 83 14.313 8.860 -6.066 1.00 0.00 H new ATOM 1268 N ASP A 84 11.883 5.731 -4.525 1.00 0.00 N ATOM 1269 CA ASP A 84 11.565 5.457 -3.129 1.00 0.00 C ATOM 1270 C ASP A 84 11.017 4.043 -2.963 1.00 0.00 C ATOM 1271 O ASP A 84 9.805 3.839 -2.892 1.00 0.00 O ATOM 1272 CB ASP A 84 10.549 6.475 -2.606 1.00 0.00 C ATOM 1273 CG ASP A 84 10.910 7.898 -2.983 1.00 0.00 C ATOM 1274 OD1 ASP A 84 12.117 8.186 -3.127 1.00 0.00 O ATOM 1275 OD2 ASP A 84 9.986 8.725 -3.133 1.00 0.00 O ATOM 0 H ASP A 84 11.123 6.157 -5.055 1.00 0.00 H new ATOM 0 HA ASP A 84 12.484 5.541 -2.550 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.562 6.236 -3.003 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.484 6.395 -1.521 1.00 0.00 H new ATOM 1280 N THR A 85 11.920 3.068 -2.902 1.00 0.00 N ATOM 1281 CA THR A 85 11.528 1.673 -2.747 1.00 0.00 C ATOM 1282 C THR A 85 10.600 1.492 -1.551 1.00 0.00 C ATOM 1283 O THR A 85 9.566 0.830 -1.649 1.00 0.00 O ATOM 1284 CB THR A 85 12.756 0.761 -2.572 1.00 0.00 C ATOM 1285 OG1 THR A 85 13.624 1.296 -1.566 1.00 0.00 O ATOM 1286 CG2 THR A 85 13.517 0.619 -3.882 1.00 0.00 C ATOM 0 H THR A 85 12.927 3.220 -2.958 1.00 0.00 H new ATOM 0 HA THR A 85 11.001 1.390 -3.658 1.00 0.00 H new ATOM 0 HB THR A 85 12.407 -0.225 -2.264 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.402 0.709 -1.459 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.380 -0.030 -3.733 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.863 0.184 -4.638 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.854 1.601 -4.215 1.00 0.00 H new ATOM 1294 N VAL A 86 10.975 2.085 -0.422 1.00 0.00 N ATOM 1295 CA VAL A 86 10.174 1.991 0.793 1.00 0.00 C ATOM 1296 C VAL A 86 8.697 2.224 0.498 1.00 0.00 C ATOM 1297 O VAL A 86 7.827 1.561 1.065 1.00 0.00 O ATOM 1298 CB VAL A 86 10.641 3.007 1.852 1.00 0.00 C ATOM 1299 CG1 VAL A 86 10.146 4.403 1.508 1.00 0.00 C ATOM 1300 CG2 VAL A 86 10.165 2.590 3.236 1.00 0.00 C ATOM 0 H VAL A 86 11.828 2.635 -0.323 1.00 0.00 H new ATOM 0 HA VAL A 86 10.308 0.982 1.183 1.00 0.00 H new ATOM 0 HB VAL A 86 11.731 3.025 1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.486 5.107 2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.540 4.700 0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.057 4.404 1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.504 3.319 3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.076 2.542 3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.574 1.610 3.481 1.00 0.00 H new ATOM 1310 N LEU A 87 8.419 3.168 -0.394 1.00 0.00 N ATOM 1311 CA LEU A 87 7.046 3.489 -0.767 1.00 0.00 C ATOM 1312 C LEU A 87 6.445 2.387 -1.633 1.00 0.00 C ATOM 1313 O LEU A 87 5.298 1.986 -1.439 1.00 0.00 O ATOM 1314 CB LEU A 87 6.997 4.824 -1.512 1.00 0.00 C ATOM 1315 CG LEU A 87 5.650 5.547 -1.506 1.00 0.00 C ATOM 1316 CD1 LEU A 87 5.212 5.847 -0.081 1.00 0.00 C ATOM 1317 CD2 LEU A 87 5.730 6.829 -2.323 1.00 0.00 C ATOM 0 H LEU A 87 9.127 3.725 -0.873 1.00 0.00 H new ATOM 0 HA LEU A 87 6.457 3.569 0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.745 5.487 -1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.289 4.650 -2.548 1.00 0.00 H new ATOM 0 HG LEU A 87 4.906 4.894 -1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.251 6.362 -0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.115 4.914 0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.955 6.481 0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.763 7.331 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.487 7.487 -1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.998 6.589 -3.352 1.00 0.00 H new ATOM 1329 N VAL A 88 7.229 1.900 -2.590 1.00 0.00 N ATOM 1330 CA VAL A 88 6.777 0.842 -3.485 1.00 0.00 C ATOM 1331 C VAL A 88 6.479 -0.439 -2.714 1.00 0.00 C ATOM 1332 O VAL A 88 5.600 -1.214 -3.093 1.00 0.00 O ATOM 1333 CB VAL A 88 7.823 0.542 -4.574 1.00 0.00 C ATOM 1334 CG1 VAL A 88 7.391 -0.648 -5.417 1.00 0.00 C ATOM 1335 CG2 VAL A 88 8.052 1.768 -5.445 1.00 0.00 C ATOM 0 H VAL A 88 8.181 2.222 -2.765 1.00 0.00 H new ATOM 0 HA VAL A 88 5.863 1.198 -3.960 1.00 0.00 H new ATOM 0 HB VAL A 88 8.765 0.289 -4.088 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.143 -0.845 -6.181 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.283 -1.526 -4.780 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.437 -0.428 -5.895 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.794 1.538 -6.209 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.115 2.055 -5.923 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.411 2.591 -4.827 1.00 0.00 H new ATOM 1345 N HIS A 89 7.217 -0.657 -1.631 1.00 0.00 N ATOM 1346 CA HIS A 89 7.032 -1.845 -0.805 1.00 0.00 C ATOM 1347 C HIS A 89 5.784 -1.714 0.063 1.00 0.00 C ATOM 1348 O HIS A 89 5.101 -2.700 0.337 1.00 0.00 O ATOM 1349 CB HIS A 89 8.259 -2.075 0.078 1.00 0.00 C ATOM 1350 CG HIS A 89 8.125 -3.250 0.997 1.00 0.00 C ATOM 1351 ND1 HIS A 89 8.923 -4.370 0.908 1.00 0.00 N ATOM 1352 CD2 HIS A 89 7.278 -3.474 2.029 1.00 0.00 C ATOM 1353 CE1 HIS A 89 8.573 -5.233 1.844 1.00 0.00 C ATOM 1354 NE2 HIS A 89 7.577 -4.713 2.539 1.00 0.00 N ATOM 0 H HIS A 89 7.949 -0.026 -1.304 1.00 0.00 H new ATOM 0 HA HIS A 89 6.905 -2.701 -1.467 1.00 0.00 H new ATOM 0 HB2 HIS A 89 9.132 -2.220 -0.558 1.00 0.00 H new ATOM 0 HB3 HIS A 89 8.442 -1.179 0.671 1.00 0.00 H new ATOM 0 HD2 HIS A 89 6.510 -2.803 2.385 1.00 0.00 H new ATOM 0 HE1 HIS A 89 9.024 -6.200 2.013 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.107 -5.159 3.326 1.00 0.00 H new ATOM 1363 N ARG A 90 5.494 -0.490 0.493 1.00 0.00 N ATOM 1364 CA ARG A 90 4.330 -0.231 1.331 1.00 0.00 C ATOM 1365 C ARG A 90 3.053 -0.201 0.495 1.00 0.00 C ATOM 1366 O ARG A 90 2.028 -0.757 0.889 1.00 0.00 O ATOM 1367 CB ARG A 90 4.495 1.096 2.075 1.00 0.00 C ATOM 1368 CG ARG A 90 5.634 1.091 3.082 1.00 0.00 C ATOM 1369 CD ARG A 90 6.150 2.497 3.346 1.00 0.00 C ATOM 1370 NE ARG A 90 7.122 2.528 4.436 1.00 0.00 N ATOM 1371 CZ ARG A 90 7.717 3.637 4.859 1.00 0.00 C ATOM 1372 NH1 ARG A 90 7.439 4.801 4.288 1.00 0.00 N ATOM 1373 NH2 ARG A 90 8.590 3.584 5.856 1.00 0.00 N ATOM 0 H ARG A 90 6.049 0.337 0.275 1.00 0.00 H new ATOM 0 HA ARG A 90 4.250 -1.040 2.057 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.666 1.891 1.349 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.565 1.331 2.592 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.293 0.646 4.017 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.447 0.468 2.710 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.609 2.891 2.439 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.312 3.151 3.589 1.00 0.00 H new ATOM 0 HE ARG A 90 7.357 1.649 4.898 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.767 4.846 3.522 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.897 5.652 4.615 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.805 2.691 6.299 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.046 4.437 6.180 1.00 0.00 H new ATOM 1387 N VAL A 91 3.124 0.452 -0.660 1.00 0.00 N ATOM 1388 CA VAL A 91 1.975 0.554 -1.552 1.00 0.00 C ATOM 1389 C VAL A 91 1.551 -0.819 -2.062 1.00 0.00 C ATOM 1390 O VAL A 91 0.405 -1.232 -1.885 1.00 0.00 O ATOM 1391 CB VAL A 91 2.279 1.465 -2.757 1.00 0.00 C ATOM 1392 CG1 VAL A 91 1.137 1.421 -3.761 1.00 0.00 C ATOM 1393 CG2 VAL A 91 2.537 2.891 -2.294 1.00 0.00 C ATOM 0 H VAL A 91 3.965 0.918 -1.000 1.00 0.00 H new ATOM 0 HA VAL A 91 1.162 0.990 -0.972 1.00 0.00 H new ATOM 0 HB VAL A 91 3.179 1.098 -3.250 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.369 2.070 -4.605 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.003 0.399 -4.115 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.219 1.762 -3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.750 3.521 -3.158 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.656 3.271 -1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.390 2.905 -1.616 1.00 0.00 H new ATOM 1403 N HIS A 92 2.484 -1.523 -2.695 1.00 0.00 N ATOM 1404 CA HIS A 92 2.208 -2.852 -3.230 1.00 0.00 C ATOM 1405 C HIS A 92 1.532 -3.730 -2.181 1.00 0.00 C ATOM 1406 O HIS A 92 0.741 -4.612 -2.513 1.00 0.00 O ATOM 1407 CB HIS A 92 3.502 -3.512 -3.707 1.00 0.00 C ATOM 1408 CG HIS A 92 3.280 -4.780 -4.473 1.00 0.00 C ATOM 1409 ND1 HIS A 92 2.993 -5.985 -3.867 1.00 0.00 N ATOM 1410 CD2 HIS A 92 3.303 -5.026 -5.804 1.00 0.00 C ATOM 1411 CE1 HIS A 92 2.851 -6.917 -4.791 1.00 0.00 C ATOM 1412 NE2 HIS A 92 3.034 -6.361 -5.976 1.00 0.00 N ATOM 0 H HIS A 92 3.438 -1.196 -2.850 1.00 0.00 H new ATOM 0 HA HIS A 92 1.531 -2.742 -4.078 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.049 -2.809 -4.335 1.00 0.00 H new ATOM 0 HB3 HIS A 92 4.132 -3.724 -2.843 1.00 0.00 H new ATOM 0 HD2 HIS A 92 3.497 -4.306 -6.585 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.624 -7.957 -4.609 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.984 -6.845 -6.872 1.00 0.00 H new ATOM 1421 N SER A 93 1.851 -3.482 -0.915 1.00 0.00 N ATOM 1422 CA SER A 93 1.278 -4.253 0.183 1.00 0.00 C ATOM 1423 C SER A 93 -0.207 -3.942 0.348 1.00 0.00 C ATOM 1424 O SER A 93 -1.056 -4.824 0.215 1.00 0.00 O ATOM 1425 CB SER A 93 2.021 -3.955 1.486 1.00 0.00 C ATOM 1426 OG SER A 93 1.859 -5.010 2.418 1.00 0.00 O ATOM 0 H SER A 93 2.503 -2.754 -0.624 1.00 0.00 H new ATOM 0 HA SER A 93 1.386 -5.311 -0.054 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.081 -3.808 1.279 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.649 -3.025 1.916 1.00 0.00 H new ATOM 0 HG SER A 93 2.345 -4.796 3.242 1.00 0.00 H new ATOM 1432 N TYR A 94 -0.512 -2.682 0.639 1.00 0.00 N ATOM 1433 CA TYR A 94 -1.893 -2.254 0.825 1.00 0.00 C ATOM 1434 C TYR A 94 -2.806 -2.891 -0.218 1.00 0.00 C ATOM 1435 O TYR A 94 -3.945 -3.258 0.077 1.00 0.00 O ATOM 1436 CB TYR A 94 -1.992 -0.730 0.743 1.00 0.00 C ATOM 1437 CG TYR A 94 -3.333 -0.235 0.250 1.00 0.00 C ATOM 1438 CD1 TYR A 94 -3.617 -0.176 -1.109 1.00 0.00 C ATOM 1439 CD2 TYR A 94 -4.316 0.172 1.143 1.00 0.00 C ATOM 1440 CE1 TYR A 94 -4.840 0.275 -1.563 1.00 0.00 C ATOM 1441 CE2 TYR A 94 -5.543 0.624 0.698 1.00 0.00 C ATOM 1442 CZ TYR A 94 -5.800 0.674 -0.657 1.00 0.00 C ATOM 1443 OH TYR A 94 -7.021 1.123 -1.106 1.00 0.00 O ATOM 0 H TYR A 94 0.179 -1.940 0.751 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.218 -2.580 1.813 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.799 -0.308 1.729 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.211 -0.359 0.079 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.868 -0.488 -1.822 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.117 0.134 2.204 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.044 0.315 -2.623 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.296 0.936 1.406 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.583 1.364 -0.340 1.00 0.00 H new ATOM 1453 N LEU A 95 -2.299 -3.019 -1.439 1.00 0.00 N ATOM 1454 CA LEU A 95 -3.068 -3.612 -2.528 1.00 0.00 C ATOM 1455 C LEU A 95 -3.237 -5.114 -2.320 1.00 0.00 C ATOM 1456 O LEU A 95 -4.348 -5.599 -2.109 1.00 0.00 O ATOM 1457 CB LEU A 95 -2.380 -3.346 -3.868 1.00 0.00 C ATOM 1458 CG LEU A 95 -2.358 -1.889 -4.333 1.00 0.00 C ATOM 1459 CD1 LEU A 95 -1.441 -1.727 -5.535 1.00 0.00 C ATOM 1460 CD2 LEU A 95 -3.765 -1.414 -4.665 1.00 0.00 C ATOM 0 H LEU A 95 -1.359 -2.720 -1.700 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.056 -3.151 -2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.352 -3.701 -3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.876 -3.943 -4.633 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.971 -1.274 -3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.438 -0.684 -5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.429 -2.027 -5.264 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.798 -2.354 -6.352 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.730 -0.375 -4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.180 -2.033 -5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.394 -1.493 -3.779 1.00 0.00 H new ATOM 1472 N GLU A 96 -2.127 -5.843 -2.379 1.00 0.00 N ATOM 1473 CA GLU A 96 -2.153 -7.290 -2.195 1.00 0.00 C ATOM 1474 C GLU A 96 -2.849 -7.660 -0.888 1.00 0.00 C ATOM 1475 O GLU A 96 -3.833 -8.399 -0.884 1.00 0.00 O ATOM 1476 CB GLU A 96 -0.731 -7.853 -2.206 1.00 0.00 C ATOM 1477 CG GLU A 96 -0.669 -9.354 -1.974 1.00 0.00 C ATOM 1478 CD GLU A 96 -0.931 -9.731 -0.529 1.00 0.00 C ATOM 1479 OE1 GLU A 96 -0.110 -9.365 0.338 1.00 0.00 O ATOM 1480 OE2 GLU A 96 -1.957 -10.393 -0.265 1.00 0.00 O ATOM 0 H GLU A 96 -1.199 -5.456 -2.553 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.715 -7.726 -3.021 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.265 -7.622 -3.164 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.144 -7.350 -1.437 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -1.401 -9.847 -2.613 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.313 -9.724 -2.270 1.00 0.00 H new ATOM 1487 N ARG A 97 -2.328 -7.141 0.219 1.00 0.00 N ATOM 1488 CA ARG A 97 -2.897 -7.418 1.533 1.00 0.00 C ATOM 1489 C ARG A 97 -4.422 -7.371 1.486 1.00 0.00 C ATOM 1490 O ARG A 97 -5.096 -8.301 1.929 1.00 0.00 O ATOM 1491 CB ARG A 97 -2.376 -6.411 2.560 1.00 0.00 C ATOM 1492 CG ARG A 97 -0.937 -6.660 2.981 1.00 0.00 C ATOM 1493 CD ARG A 97 -0.818 -7.904 3.848 1.00 0.00 C ATOM 1494 NE ARG A 97 -1.360 -7.693 5.187 1.00 0.00 N ATOM 1495 CZ ARG A 97 -0.666 -7.157 6.185 1.00 0.00 C ATOM 1496 NH1 ARG A 97 0.591 -6.781 5.996 1.00 0.00 N ATOM 1497 NH2 ARG A 97 -1.230 -6.997 7.376 1.00 0.00 N ATOM 0 H ARG A 97 -1.514 -6.527 0.232 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.591 -8.421 1.830 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -2.455 -5.407 2.144 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.015 -6.442 3.443 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.312 -6.771 2.095 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -0.562 -5.796 3.529 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -1.344 -8.730 3.370 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.230 -8.194 3.923 1.00 0.00 H new ATOM 0 HE ARG A 97 -2.324 -7.972 5.366 1.00 0.00 H new ATOM 0 HH11 ARG A 97 1.028 -6.903 5.082 1.00 0.00 H new ATOM 0 HH12 ARG A 97 1.121 -6.370 6.764 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -2.197 -7.286 7.525 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -0.697 -6.585 8.142 1.00 0.00 H new ATOM 1511 N HIS A 98 -4.959 -6.280 0.947 1.00 0.00 N ATOM 1512 CA HIS A 98 -6.404 -6.111 0.843 1.00 0.00 C ATOM 1513 C HIS A 98 -7.014 -7.193 -0.044 1.00 0.00 C ATOM 1514 O HIS A 98 -8.100 -7.698 0.235 1.00 0.00 O ATOM 1515 CB HIS A 98 -6.737 -4.728 0.283 1.00 0.00 C ATOM 1516 CG HIS A 98 -6.517 -3.617 1.263 1.00 0.00 C ATOM 1517 ND1 HIS A 98 -7.271 -2.463 1.274 1.00 0.00 N ATOM 1518 CD2 HIS A 98 -5.620 -3.489 2.269 1.00 0.00 C ATOM 1519 CE1 HIS A 98 -6.847 -1.672 2.244 1.00 0.00 C ATOM 1520 NE2 HIS A 98 -5.846 -2.271 2.863 1.00 0.00 N ATOM 0 H HIS A 98 -4.415 -5.501 0.576 1.00 0.00 H new ATOM 0 HA HIS A 98 -6.830 -6.202 1.842 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -6.127 -4.547 -0.602 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.778 -4.716 -0.039 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.867 -4.210 2.552 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -7.251 -0.701 2.489 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -5.325 -1.891 3.654 1.00 0.00 H new ATOM 1529 N GLY A 99 -6.308 -7.542 -1.115 1.00 0.00 N ATOM 1530 CA GLY A 99 -6.796 -8.560 -2.026 1.00 0.00 C ATOM 1531 C GLY A 99 -7.188 -7.991 -3.375 1.00 0.00 C ATOM 1532 O GLY A 99 -8.142 -8.456 -4.001 1.00 0.00 O ATOM 0 H GLY A 99 -5.406 -7.138 -1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.025 -9.318 -2.165 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.657 -9.059 -1.581 1.00 0.00 H new ATOM 1536 N LEU A 100 -6.452 -6.981 -3.826 1.00 0.00 N ATOM 1537 CA LEU A 100 -6.728 -6.345 -5.109 1.00 0.00 C ATOM 1538 C LEU A 100 -5.798 -6.881 -6.193 1.00 0.00 C ATOM 1539 O LEU A 100 -6.050 -6.703 -7.385 1.00 0.00 O ATOM 1540 CB LEU A 100 -6.574 -4.828 -4.993 1.00 0.00 C ATOM 1541 CG LEU A 100 -7.163 -4.188 -3.736 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -7.616 -2.765 -4.023 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -8.320 -5.021 -3.205 1.00 0.00 C ATOM 0 H LEU A 100 -5.659 -6.585 -3.322 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.755 -6.579 -5.389 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.512 -4.586 -5.036 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.041 -4.368 -5.864 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.386 -4.153 -2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.032 -2.326 -3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.764 -2.172 -4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.377 -2.776 -4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.727 -4.550 -2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.098 -5.089 -3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.965 -6.022 -2.959 1.00 0.00 H new ATOM 1555 N ILE A 101 -4.723 -7.539 -5.771 1.00 0.00 N ATOM 1556 CA ILE A 101 -3.758 -8.104 -6.706 1.00 0.00 C ATOM 1557 C ILE A 101 -3.298 -9.485 -6.254 1.00 0.00 C ATOM 1558 O ILE A 101 -3.149 -9.741 -5.060 1.00 0.00 O ATOM 1559 CB ILE A 101 -2.527 -7.191 -6.864 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -1.809 -7.031 -5.523 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -2.941 -5.835 -7.415 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -0.369 -6.588 -5.658 1.00 0.00 C ATOM 0 H ILE A 101 -4.499 -7.694 -4.788 1.00 0.00 H new ATOM 0 HA ILE A 101 -4.263 -8.189 -7.668 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.838 -7.653 -7.571 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.349 -6.305 -4.915 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.840 -7.980 -4.988 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -2.061 -5.201 -7.521 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.413 -5.967 -8.389 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -3.647 -5.364 -6.731 1.00 0.00 H new ATOM 0 HD11 ILE A 101 0.077 -6.495 -4.668 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.186 -7.325 -6.239 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.331 -5.624 -6.165 1.00 0.00 H new ATOM 1574 N ASN A 102 -3.072 -10.373 -7.218 1.00 0.00 N ATOM 1575 CA ASN A 102 -2.627 -11.729 -6.919 1.00 0.00 C ATOM 1576 C ASN A 102 -3.686 -12.485 -6.121 1.00 0.00 C ATOM 1577 O ASN A 102 -3.409 -13.009 -5.042 1.00 0.00 O ATOM 1578 CB ASN A 102 -1.312 -11.696 -6.138 1.00 0.00 C ATOM 1579 CG ASN A 102 -0.263 -10.829 -6.809 1.00 0.00 C ATOM 1580 OD1 ASN A 102 -0.564 -10.079 -7.737 1.00 0.00 O ATOM 1581 ND2 ASN A 102 0.975 -10.929 -6.339 1.00 0.00 N ATOM 0 H ASN A 102 -3.190 -10.177 -8.212 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.468 -12.249 -7.864 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.499 -11.322 -5.132 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -0.929 -12.711 -6.034 1.00 0.00 H new ATOM 0 HD21 ASN A 102 1.723 -10.370 -6.749 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.178 -11.565 -5.568 1.00 0.00 H new ATOM 1588 N PHE A 103 -4.899 -12.539 -6.661 1.00 0.00 N ATOM 1589 CA PHE A 103 -5.999 -13.232 -6.001 1.00 0.00 C ATOM 1590 C PHE A 103 -6.525 -14.370 -6.869 1.00 0.00 C ATOM 1591 O PHE A 103 -7.704 -14.716 -6.812 1.00 0.00 O ATOM 1592 CB PHE A 103 -7.131 -12.251 -5.686 1.00 0.00 C ATOM 1593 CG PHE A 103 -7.499 -11.368 -6.844 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -7.901 -11.918 -8.051 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -7.442 -9.989 -6.727 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -8.241 -11.109 -9.119 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -7.781 -9.175 -7.791 1.00 0.00 C ATOM 1598 CZ PHE A 103 -8.180 -9.736 -8.989 1.00 0.00 C ATOM 0 H PHE A 103 -5.145 -12.111 -7.554 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.622 -13.654 -5.069 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -8.011 -12.813 -5.374 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.836 -11.627 -4.843 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.949 -12.992 -8.158 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.129 -9.545 -5.794 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -8.554 -11.550 -10.054 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -7.734 -8.101 -7.686 1.00 0.00 H new ATOM 0 HZ PHE A 103 -8.444 -9.101 -9.822 1.00 0.00 H new ATOM 1608 N GLY A 104 -5.640 -14.950 -7.675 1.00 0.00 N ATOM 1609 CA GLY A 104 -6.033 -16.043 -8.545 1.00 0.00 C ATOM 1610 C GLY A 104 -4.955 -16.400 -9.549 1.00 0.00 C ATOM 1611 O GLY A 104 -5.185 -16.357 -10.758 1.00 0.00 O ATOM 0 H GLY A 104 -4.658 -14.682 -7.741 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.266 -16.919 -7.940 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.945 -15.771 -9.077 1.00 0.00 H new ATOM 1615 N ILE A 105 -3.776 -16.753 -9.049 1.00 0.00 N ATOM 1616 CA ILE A 105 -2.659 -17.119 -9.911 1.00 0.00 C ATOM 1617 C ILE A 105 -1.976 -18.389 -9.416 1.00 0.00 C ATOM 1618 O ILE A 105 -1.557 -19.231 -10.211 1.00 0.00 O ATOM 1619 CB ILE A 105 -1.617 -15.988 -9.993 1.00 0.00 C ATOM 1620 CG1 ILE A 105 -0.987 -15.745 -8.620 1.00 0.00 C ATOM 1621 CG2 ILE A 105 -2.259 -14.713 -10.520 1.00 0.00 C ATOM 1622 CD1 ILE A 105 -1.958 -15.201 -7.597 1.00 0.00 C ATOM 0 H ILE A 105 -3.569 -16.793 -8.051 1.00 0.00 H new ATOM 0 HA ILE A 105 -3.072 -17.295 -10.905 1.00 0.00 H new ATOM 0 HB ILE A 105 -0.830 -16.288 -10.685 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.569 -16.681 -8.250 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.157 -15.047 -8.729 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.510 -13.923 -10.572 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.665 -14.894 -11.515 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.063 -14.407 -9.851 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.442 -15.053 -6.648 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.357 -14.248 -7.945 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.776 -15.909 -7.459 1.00 0.00 H new