USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=17 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 79:sc= -0.364 USER MOD Set 1.2: A 92 HIS : no HE2:sc= -3.87! C(o=-4.2!,f=-4.7!) USER MOD Single : A 19 GLN : amide:sc= -2.78! C(o=-2.8!,f=-3.7!) USER MOD Single : A 20 SER OG : rot 180:sc= -0.0138 USER MOD Single : A 24 HIS : no HD1:sc= 0.195 K(o=0.2,f=-1.4!) USER MOD Single : A 27 MET CE :methyl -171:sc= -0.327 (180deg=-0.475) USER MOD Single : A 28 THR OG1 : rot -109:sc= -0.279 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -2.87! K(o=-2.9!,f=-0.22) USER MOD Single : A 34 CYS SG : rot 150:sc= 0 USER MOD Single : A 40 SER OG : rot -52:sc= 0.162 USER MOD Single : A 43 GLN : amide:sc= -1.28 K(o=-1.3,f=-5!) USER MOD Single : A 44 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.15) USER MOD Single : A 45 THR OG1 : rot -170:sc= -0.0242 USER MOD Single : A 46 GLN : amide:sc= 0.284 K(o=0.28,f=-0.75) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.599 K(o=-0.6,f=-9.2!) USER MOD Single : A 56 THR OG1 : rot 95:sc= 1.18 USER MOD Single : A 58 GLN : amide:sc= -0.716 K(o=-0.72,f=-1.5) USER MOD Single : A 63 ASN : amide:sc= -0.371 K(o=-0.37,f=-2.2!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -3.15! C(o=-3.1!,f=-4.2!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0214 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -5.76! C(o=-5.8!,f=-4!) USER MOD Single : A 81 TYR OH : rot -111:sc= 0.456 USER MOD Single : A 82 ASN : amide:sc= -5.31! C(o=-5.3!,f=-5.9!) 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 HE2:sc= -0.0339 K(o=-0.034,f=-0.63) USER MOD Single : A 93 SER OG : rot 170:sc= -1.16 USER MOD Single : A 94 TYR OH : rot 180:sc= -0.277 USER MOD Single : A 98 HIS : no HD1:sc= -8.14! C(o=-8.1!,f=-6.4!) USER MOD Single : A 102 ASN : amide:sc= -3.7! C(o=-3.7!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 128 N VAL A 13 -3.075 4.204 -17.589 1.00 0.00 N ATOM 129 CA VAL A 13 -2.885 3.974 -16.162 1.00 0.00 C ATOM 130 C VAL A 13 -4.109 4.415 -15.367 1.00 0.00 C ATOM 131 O VAL A 13 -4.586 3.692 -14.492 1.00 0.00 O ATOM 132 CB VAL A 13 -1.647 4.722 -15.633 1.00 0.00 C ATOM 133 CG1 VAL A 13 -1.497 4.514 -14.134 1.00 0.00 C ATOM 134 CG2 VAL A 13 -0.396 4.269 -16.370 1.00 0.00 C ATOM 0 HA VAL A 13 -2.736 2.902 -16.031 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.783 5.788 -15.816 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.617 5.050 -13.779 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.383 4.892 -13.624 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.384 3.450 -13.924 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.469 4.808 -15.984 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.253 3.199 -16.221 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.506 4.475 -17.435 1.00 0.00 H new ATOM 144 N GLU A 14 -4.614 5.605 -15.678 1.00 0.00 N ATOM 145 CA GLU A 14 -5.783 6.141 -14.992 1.00 0.00 C ATOM 146 C GLU A 14 -6.870 5.078 -14.858 1.00 0.00 C ATOM 147 O GLU A 14 -7.415 4.865 -13.775 1.00 0.00 O ATOM 148 CB GLU A 14 -6.332 7.355 -15.745 1.00 0.00 C ATOM 149 CG GLU A 14 -5.365 8.527 -15.796 1.00 0.00 C ATOM 150 CD GLU A 14 -5.754 9.557 -16.838 1.00 0.00 C ATOM 151 OE1 GLU A 14 -5.439 9.347 -18.028 1.00 0.00 O ATOM 152 OE2 GLU A 14 -6.373 10.575 -16.463 1.00 0.00 O ATOM 0 H GLU A 14 -4.232 6.215 -16.400 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.476 6.450 -13.993 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.583 7.058 -16.763 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.258 7.679 -15.270 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.325 9.003 -14.816 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.363 8.157 -16.012 1.00 0.00 H new ATOM 159 N GLY A 15 -7.182 4.415 -15.967 1.00 0.00 N ATOM 160 CA GLY A 15 -8.202 3.383 -15.953 1.00 0.00 C ATOM 161 C GLY A 15 -8.078 2.461 -14.757 1.00 0.00 C ATOM 162 O GLY A 15 -9.081 2.042 -14.180 1.00 0.00 O ATOM 0 H GLY A 15 -6.746 4.574 -16.875 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.187 3.850 -15.947 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.133 2.796 -16.869 1.00 0.00 H new ATOM 166 N ALA A 16 -6.843 2.142 -14.384 1.00 0.00 N ATOM 167 CA ALA A 16 -6.591 1.263 -13.248 1.00 0.00 C ATOM 168 C ALA A 16 -7.350 1.732 -12.012 1.00 0.00 C ATOM 169 O ALA A 16 -7.851 0.920 -11.235 1.00 0.00 O ATOM 170 CB ALA A 16 -5.099 1.191 -12.958 1.00 0.00 C ATOM 0 H ALA A 16 -6.001 2.479 -14.852 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.949 0.266 -13.505 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.925 0.532 -12.108 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.577 0.802 -13.832 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.725 2.188 -12.726 1.00 0.00 H new ATOM 176 N ALA A 17 -7.432 3.047 -11.836 1.00 0.00 N ATOM 177 CA ALA A 17 -8.132 3.623 -10.695 1.00 0.00 C ATOM 178 C ALA A 17 -9.643 3.536 -10.877 1.00 0.00 C ATOM 179 O ALA A 17 -10.372 3.201 -9.943 1.00 0.00 O ATOM 180 CB ALA A 17 -7.705 5.069 -10.490 1.00 0.00 C ATOM 0 H ALA A 17 -7.022 3.733 -12.470 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.866 3.048 -9.808 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.235 5.487 -9.635 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.631 5.109 -10.306 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.942 5.648 -11.382 1.00 0.00 H new ATOM 186 N PHE A 18 -10.108 3.840 -12.084 1.00 0.00 N ATOM 187 CA PHE A 18 -11.533 3.797 -12.388 1.00 0.00 C ATOM 188 C PHE A 18 -12.193 2.589 -11.731 1.00 0.00 C ATOM 189 O PHE A 18 -13.094 2.734 -10.904 1.00 0.00 O ATOM 190 CB PHE A 18 -11.753 3.753 -13.901 1.00 0.00 C ATOM 191 CG PHE A 18 -13.053 3.113 -14.300 1.00 0.00 C ATOM 192 CD1 PHE A 18 -14.224 3.853 -14.328 1.00 0.00 C ATOM 193 CD2 PHE A 18 -13.103 1.773 -14.647 1.00 0.00 C ATOM 194 CE1 PHE A 18 -15.421 3.266 -14.693 1.00 0.00 C ATOM 195 CE2 PHE A 18 -14.297 1.181 -15.013 1.00 0.00 C ATOM 196 CZ PHE A 18 -15.457 1.929 -15.038 1.00 0.00 C ATOM 0 H PHE A 18 -9.518 4.119 -12.868 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.991 4.701 -11.988 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -11.722 4.769 -14.294 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -10.931 3.207 -14.364 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -14.201 4.899 -14.062 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -12.198 1.184 -14.631 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -16.328 3.853 -14.708 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -14.323 0.135 -15.279 1.00 0.00 H new ATOM 0 HZ PHE A 18 -16.391 1.470 -15.327 1.00 0.00 H new ATOM 206 N GLN A 19 -11.739 1.397 -12.105 1.00 0.00 N ATOM 207 CA GLN A 19 -12.286 0.163 -11.553 1.00 0.00 C ATOM 208 C GLN A 19 -12.520 0.295 -10.052 1.00 0.00 C ATOM 209 O GLN A 19 -13.464 -0.278 -9.509 1.00 0.00 O ATOM 210 CB GLN A 19 -11.343 -1.008 -11.834 1.00 0.00 C ATOM 211 CG GLN A 19 -10.151 -1.068 -10.891 1.00 0.00 C ATOM 212 CD GLN A 19 -10.431 -1.890 -9.649 1.00 0.00 C ATOM 213 OE1 GLN A 19 -11.331 -2.730 -9.636 1.00 0.00 O ATOM 214 NE2 GLN A 19 -9.658 -1.653 -8.595 1.00 0.00 N ATOM 0 H GLN A 19 -10.994 1.260 -12.788 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.244 -0.028 -12.036 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.902 -1.940 -11.759 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.981 -0.935 -12.860 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.297 -1.492 -11.418 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.874 -0.056 -10.597 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.923 -0.947 -8.650 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.799 -2.177 -7.731 1.00 0.00 H new ATOM 223 N SER A 20 -11.654 1.053 -9.387 1.00 0.00 N ATOM 224 CA SER A 20 -11.764 1.257 -7.948 1.00 0.00 C ATOM 225 C SER A 20 -12.463 2.577 -7.638 1.00 0.00 C ATOM 226 O SER A 20 -12.077 3.631 -8.144 1.00 0.00 O ATOM 227 CB SER A 20 -10.378 1.237 -7.301 1.00 0.00 C ATOM 228 OG SER A 20 -10.460 0.894 -5.929 1.00 0.00 O ATOM 0 H SER A 20 -10.868 1.536 -9.822 1.00 0.00 H new ATOM 0 HA SER A 20 -12.361 0.444 -7.536 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.741 0.521 -7.820 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.910 2.216 -7.407 1.00 0.00 H new ATOM 0 HG SER A 20 -9.561 0.887 -5.539 1.00 0.00 H new ATOM 234 N ARG A 21 -13.495 2.511 -6.802 1.00 0.00 N ATOM 235 CA ARG A 21 -14.249 3.700 -6.425 1.00 0.00 C ATOM 236 C ARG A 21 -13.410 4.619 -5.542 1.00 0.00 C ATOM 237 O ARG A 21 -13.579 4.651 -4.323 1.00 0.00 O ATOM 238 CB ARG A 21 -15.533 3.304 -5.692 1.00 0.00 C ATOM 239 CG ARG A 21 -16.652 2.862 -6.620 1.00 0.00 C ATOM 240 CD ARG A 21 -17.223 4.035 -7.402 1.00 0.00 C ATOM 241 NE ARG A 21 -18.311 4.694 -6.683 1.00 0.00 N ATOM 242 CZ ARG A 21 -19.524 4.172 -6.547 1.00 0.00 C ATOM 243 NH1 ARG A 21 -19.804 2.989 -7.077 1.00 0.00 N ATOM 244 NH2 ARG A 21 -20.461 4.832 -5.879 1.00 0.00 N ATOM 0 H ARG A 21 -13.827 1.647 -6.374 1.00 0.00 H new ATOM 0 HA ARG A 21 -14.509 4.239 -7.336 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.309 2.496 -4.996 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.878 4.150 -5.098 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -16.276 2.110 -7.313 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -17.444 2.391 -6.038 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -16.431 4.757 -7.603 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -17.587 3.684 -8.368 1.00 0.00 H new ATOM 0 HE ARG A 21 -18.128 5.605 -6.262 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -19.086 2.478 -7.591 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -20.737 2.591 -6.971 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -20.250 5.742 -5.469 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -21.393 4.430 -5.775 1.00 0.00 H new ATOM 258 N LEU A 22 -12.506 5.366 -6.167 1.00 0.00 N ATOM 259 CA LEU A 22 -11.639 6.286 -5.439 1.00 0.00 C ATOM 260 C LEU A 22 -10.972 7.274 -6.390 1.00 0.00 C ATOM 261 O LEU A 22 -10.751 6.987 -7.567 1.00 0.00 O ATOM 262 CB LEU A 22 -10.574 5.509 -4.663 1.00 0.00 C ATOM 263 CG LEU A 22 -9.403 4.970 -5.487 1.00 0.00 C ATOM 264 CD1 LEU A 22 -8.336 6.039 -5.661 1.00 0.00 C ATOM 265 CD2 LEU A 22 -8.816 3.730 -4.830 1.00 0.00 C ATOM 0 H LEU A 22 -12.355 5.353 -7.176 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.255 6.847 -4.736 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.175 6.158 -3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -11.057 4.670 -4.163 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.774 4.693 -6.474 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.511 5.637 -6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.764 6.900 -6.176 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.967 6.348 -4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.984 3.360 -5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.460 3.982 -3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.583 2.959 -4.758 1.00 0.00 H new ATOM 277 N PRO A 23 -10.641 8.466 -5.871 1.00 0.00 N ATOM 278 CA PRO A 23 -9.992 9.519 -6.656 1.00 0.00 C ATOM 279 C PRO A 23 -8.553 9.168 -7.019 1.00 0.00 C ATOM 280 O PRO A 23 -7.739 8.863 -6.147 1.00 0.00 O ATOM 281 CB PRO A 23 -10.028 10.731 -5.722 1.00 0.00 C ATOM 282 CG PRO A 23 -10.088 10.151 -4.351 1.00 0.00 C ATOM 283 CD PRO A 23 -10.875 8.876 -4.476 1.00 0.00 C ATOM 0 HA PRO A 23 -10.493 9.684 -7.610 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -9.144 11.355 -5.849 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.895 11.361 -5.924 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -9.087 9.956 -3.965 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.569 10.840 -3.656 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.529 8.120 -3.771 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.935 9.037 -4.277 1.00 0.00 H new ATOM 291 N HIS A 24 -8.246 9.214 -8.312 1.00 0.00 N ATOM 292 CA HIS A 24 -6.904 8.902 -8.790 1.00 0.00 C ATOM 293 C HIS A 24 -6.002 10.131 -8.719 1.00 0.00 C ATOM 294 O HIS A 24 -4.843 10.086 -9.130 1.00 0.00 O ATOM 295 CB HIS A 24 -6.960 8.379 -10.226 1.00 0.00 C ATOM 296 CG HIS A 24 -7.641 9.313 -11.178 1.00 0.00 C ATOM 297 ND1 HIS A 24 -9.010 9.365 -11.332 1.00 0.00 N ATOM 298 CD2 HIS A 24 -7.133 10.238 -12.026 1.00 0.00 C ATOM 299 CE1 HIS A 24 -9.315 10.280 -12.236 1.00 0.00 C ATOM 300 NE2 HIS A 24 -8.193 10.824 -12.672 1.00 0.00 N ATOM 0 H HIS A 24 -8.908 9.464 -9.047 1.00 0.00 H new ATOM 0 HA HIS A 24 -6.486 8.129 -8.145 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.945 8.193 -10.576 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.480 7.421 -10.235 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -6.088 10.471 -12.168 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -10.311 10.539 -12.562 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -8.125 11.560 -13.375 1.00 0.00 H new ATOM 309 N ASP A 25 -6.543 11.225 -8.195 1.00 0.00 N ATOM 310 CA ASP A 25 -5.787 12.466 -8.069 1.00 0.00 C ATOM 311 C ASP A 25 -5.412 12.729 -6.614 1.00 0.00 C ATOM 312 O ASP A 25 -4.376 13.329 -6.329 1.00 0.00 O ATOM 313 CB ASP A 25 -6.598 13.640 -8.620 1.00 0.00 C ATOM 314 CG ASP A 25 -5.984 14.982 -8.272 1.00 0.00 C ATOM 315 OD1 ASP A 25 -4.745 15.107 -8.358 1.00 0.00 O ATOM 316 OD2 ASP A 25 -6.743 15.906 -7.911 1.00 0.00 O ATOM 0 H ASP A 25 -7.502 11.278 -7.851 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.870 12.364 -8.649 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.674 13.549 -9.703 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.613 13.594 -8.224 1.00 0.00 H new ATOM 321 N ARG A 26 -6.262 12.277 -5.698 1.00 0.00 N ATOM 322 CA ARG A 26 -6.021 12.465 -4.273 1.00 0.00 C ATOM 323 C ARG A 26 -6.078 11.133 -3.531 1.00 0.00 C ATOM 324 O ARG A 26 -6.344 10.090 -4.127 1.00 0.00 O ATOM 325 CB ARG A 26 -7.049 13.434 -3.684 1.00 0.00 C ATOM 326 CG ARG A 26 -8.489 13.025 -3.943 1.00 0.00 C ATOM 327 CD ARG A 26 -9.432 13.620 -2.909 1.00 0.00 C ATOM 328 NE ARG A 26 -9.694 15.035 -3.158 1.00 0.00 N ATOM 329 CZ ARG A 26 -10.629 15.474 -3.993 1.00 0.00 C ATOM 330 NH1 ARG A 26 -11.388 14.612 -4.656 1.00 0.00 N ATOM 331 NH2 ARG A 26 -10.808 16.777 -4.166 1.00 0.00 N ATOM 0 H ARG A 26 -7.124 11.778 -5.918 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.023 12.886 -4.151 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.890 13.510 -2.608 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.881 14.427 -4.102 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.787 13.351 -4.939 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.568 11.938 -3.926 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.373 13.070 -2.918 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.002 13.500 -1.915 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.128 15.724 -2.663 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.254 13.609 -4.525 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.105 14.952 -5.297 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.227 17.444 -3.657 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.526 17.112 -4.808 1.00 0.00 H new ATOM 345 N MET A 27 -5.826 11.177 -2.227 1.00 0.00 N ATOM 346 CA MET A 27 -5.849 9.973 -1.403 1.00 0.00 C ATOM 347 C MET A 27 -7.167 9.860 -0.643 1.00 0.00 C ATOM 348 O MET A 27 -7.893 10.843 -0.488 1.00 0.00 O ATOM 349 CB MET A 27 -4.678 9.980 -0.419 1.00 0.00 C ATOM 350 CG MET A 27 -3.317 10.018 -1.095 1.00 0.00 C ATOM 351 SD MET A 27 -1.978 10.369 0.061 1.00 0.00 S ATOM 352 CE MET A 27 -1.897 8.824 0.965 1.00 0.00 C ATOM 0 H MET A 27 -5.604 12.032 -1.718 1.00 0.00 H new ATOM 0 HA MET A 27 -5.755 9.110 -2.062 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.772 10.844 0.239 1.00 0.00 H new ATOM 0 HB3 MET A 27 -4.737 9.092 0.210 1.00 0.00 H new ATOM 0 HG2 MET A 27 -3.130 9.061 -1.582 1.00 0.00 H new ATOM 0 HG3 MET A 27 -3.325 10.777 -1.877 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.229 8.937 1.819 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.893 8.556 1.317 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.520 8.039 0.310 1.00 0.00 H new ATOM 362 N THR A 28 -7.471 8.655 -0.171 1.00 0.00 N ATOM 363 CA THR A 28 -8.702 8.414 0.571 1.00 0.00 C ATOM 364 C THR A 28 -8.415 8.183 2.051 1.00 0.00 C ATOM 365 O THR A 28 -7.259 8.073 2.459 1.00 0.00 O ATOM 366 CB THR A 28 -9.466 7.198 0.012 1.00 0.00 C ATOM 367 OG1 THR A 28 -8.593 6.066 -0.068 1.00 0.00 O ATOM 368 CG2 THR A 28 -10.036 7.504 -1.365 1.00 0.00 C ATOM 0 H THR A 28 -6.882 7.831 -0.289 1.00 0.00 H new ATOM 0 HA THR A 28 -9.319 9.305 0.458 1.00 0.00 H new ATOM 0 HB THR A 28 -10.291 6.973 0.687 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.392 5.874 -1.008 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.571 6.631 -1.740 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.722 8.348 -1.295 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.224 7.752 -2.048 1.00 0.00 H new ATOM 376 N SER A 29 -9.475 8.109 2.849 1.00 0.00 N ATOM 377 CA SER A 29 -9.337 7.894 4.285 1.00 0.00 C ATOM 378 C SER A 29 -8.379 6.741 4.572 1.00 0.00 C ATOM 379 O SER A 29 -7.547 6.822 5.474 1.00 0.00 O ATOM 380 CB SER A 29 -10.702 7.606 4.913 1.00 0.00 C ATOM 381 OG SER A 29 -10.627 7.627 6.328 1.00 0.00 O ATOM 0 H SER A 29 -10.439 8.195 2.526 1.00 0.00 H new ATOM 0 HA SER A 29 -8.927 8.803 4.726 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.426 8.347 4.573 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.061 6.633 4.579 1.00 0.00 H new ATOM 0 HG SER A 29 -11.512 7.442 6.705 1.00 0.00 H new ATOM 387 N GLN A 30 -8.506 5.669 3.797 1.00 0.00 N ATOM 388 CA GLN A 30 -7.652 4.499 3.967 1.00 0.00 C ATOM 389 C GLN A 30 -6.203 4.827 3.626 1.00 0.00 C ATOM 390 O GLN A 30 -5.320 4.740 4.478 1.00 0.00 O ATOM 391 CB GLN A 30 -8.147 3.348 3.090 1.00 0.00 C ATOM 392 CG GLN A 30 -9.174 2.459 3.773 1.00 0.00 C ATOM 393 CD GLN A 30 -10.593 2.965 3.598 1.00 0.00 C ATOM 394 OE1 GLN A 30 -11.437 2.288 3.011 1.00 0.00 O ATOM 395 NE2 GLN A 30 -10.862 4.161 4.108 1.00 0.00 N ATOM 0 H GLN A 30 -9.191 5.586 3.046 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.699 4.196 5.013 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.583 3.758 2.179 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.294 2.739 2.789 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.100 1.449 3.370 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.944 2.395 4.836 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -10.131 4.687 4.587 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -11.799 4.553 4.021 1.00 0.00 H new ATOM 404 N GLU A 31 -5.966 5.205 2.373 1.00 0.00 N ATOM 405 CA GLU A 31 -4.623 5.545 1.920 1.00 0.00 C ATOM 406 C GLU A 31 -3.951 6.516 2.887 1.00 0.00 C ATOM 407 O GLU A 31 -2.768 6.382 3.196 1.00 0.00 O ATOM 408 CB GLU A 31 -4.673 6.157 0.519 1.00 0.00 C ATOM 409 CG GLU A 31 -4.912 5.138 -0.583 1.00 0.00 C ATOM 410 CD GLU A 31 -5.969 4.116 -0.212 1.00 0.00 C ATOM 411 OE1 GLU A 31 -5.703 3.287 0.684 1.00 0.00 O ATOM 412 OE2 GLU A 31 -7.061 4.144 -0.817 1.00 0.00 O ATOM 0 H GLU A 31 -6.686 5.283 1.655 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.036 4.627 1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.464 6.906 0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.734 6.676 0.325 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.216 5.656 -1.492 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.977 4.624 -0.807 1.00 0.00 H new ATOM 419 N ALA A 32 -4.717 7.493 3.362 1.00 0.00 N ATOM 420 CA ALA A 32 -4.198 8.485 4.295 1.00 0.00 C ATOM 421 C ALA A 32 -3.754 7.833 5.600 1.00 0.00 C ATOM 422 O ALA A 32 -2.718 8.188 6.162 1.00 0.00 O ATOM 423 CB ALA A 32 -5.247 9.553 4.567 1.00 0.00 C ATOM 0 H ALA A 32 -5.699 7.618 3.116 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.326 8.955 3.839 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.846 10.287 5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.513 10.048 3.633 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.135 9.090 4.998 1.00 0.00 H new ATOM 429 N ALA A 33 -4.545 6.877 6.077 1.00 0.00 N ATOM 430 CA ALA A 33 -4.232 6.174 7.315 1.00 0.00 C ATOM 431 C ALA A 33 -3.027 5.258 7.137 1.00 0.00 C ATOM 432 O ALA A 33 -2.135 5.217 7.985 1.00 0.00 O ATOM 433 CB ALA A 33 -5.438 5.377 7.789 1.00 0.00 C ATOM 0 H ALA A 33 -5.407 6.572 5.625 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.981 6.917 8.072 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.190 4.857 8.714 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.274 6.053 7.966 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.715 4.649 7.027 1.00 0.00 H new ATOM 439 N CYS A 34 -3.006 4.523 6.030 1.00 0.00 N ATOM 440 CA CYS A 34 -1.910 3.605 5.741 1.00 0.00 C ATOM 441 C CYS A 34 -0.611 4.368 5.505 1.00 0.00 C ATOM 442 O CYS A 34 0.445 3.988 6.013 1.00 0.00 O ATOM 443 CB CYS A 34 -2.243 2.749 4.519 1.00 0.00 C ATOM 444 SG CYS A 34 -1.473 1.114 4.531 1.00 0.00 S ATOM 0 H CYS A 34 -3.736 4.545 5.318 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.776 2.954 6.605 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.325 2.629 4.457 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.929 3.280 3.620 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.233 0.272 3.896 1.00 0.00 H new ATOM 450 N PHE A 35 -0.694 5.444 4.730 1.00 0.00 N ATOM 451 CA PHE A 35 0.476 6.259 4.424 1.00 0.00 C ATOM 452 C PHE A 35 0.304 7.678 4.955 1.00 0.00 C ATOM 453 O PHE A 35 -0.169 8.576 4.259 1.00 0.00 O ATOM 454 CB PHE A 35 0.718 6.293 2.913 1.00 0.00 C ATOM 455 CG PHE A 35 0.691 4.936 2.271 1.00 0.00 C ATOM 456 CD1 PHE A 35 -0.511 4.285 2.045 1.00 0.00 C ATOM 457 CD2 PHE A 35 1.868 4.311 1.891 1.00 0.00 C ATOM 458 CE1 PHE A 35 -0.539 3.036 1.455 1.00 0.00 C ATOM 459 CE2 PHE A 35 1.847 3.062 1.300 1.00 0.00 C ATOM 460 CZ PHE A 35 0.642 2.424 1.080 1.00 0.00 C ATOM 0 H PHE A 35 -1.560 5.772 4.302 1.00 0.00 H new ATOM 0 HA PHE A 35 1.340 5.809 4.914 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.040 6.922 2.446 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.684 6.759 2.718 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.437 4.760 2.334 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.813 4.806 2.059 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.483 2.538 1.287 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.772 2.585 1.010 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.623 1.449 0.616 1.00 0.00 H new ATOM 470 N PRO A 36 0.697 7.887 6.221 1.00 0.00 N ATOM 471 CA PRO A 36 0.596 9.195 6.875 1.00 0.00 C ATOM 472 C PRO A 36 1.580 10.208 6.299 1.00 0.00 C ATOM 473 O PRO A 36 1.228 11.364 6.064 1.00 0.00 O ATOM 474 CB PRO A 36 0.938 8.889 8.335 1.00 0.00 C ATOM 475 CG PRO A 36 1.780 7.661 8.278 1.00 0.00 C ATOM 476 CD PRO A 36 1.269 6.863 7.110 1.00 0.00 C ATOM 0 HA PRO A 36 -0.388 9.644 6.738 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.476 9.717 8.797 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.037 8.724 8.926 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.832 7.915 8.147 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.702 7.091 9.204 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.070 6.309 6.621 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.519 6.134 7.418 1.00 0.00 H new ATOM 484 N ASP A 37 2.812 9.767 6.075 1.00 0.00 N ATOM 485 CA ASP A 37 3.847 10.636 5.524 1.00 0.00 C ATOM 486 C ASP A 37 3.436 11.171 4.156 1.00 0.00 C ATOM 487 O ASP A 37 3.666 12.339 3.841 1.00 0.00 O ATOM 488 CB ASP A 37 5.172 9.880 5.413 1.00 0.00 C ATOM 489 CG ASP A 37 5.729 9.486 6.767 1.00 0.00 C ATOM 490 OD1 ASP A 37 4.977 8.894 7.570 1.00 0.00 O ATOM 491 OD2 ASP A 37 6.917 9.770 7.024 1.00 0.00 O ATOM 0 H ASP A 37 3.120 8.813 6.266 1.00 0.00 H new ATOM 0 HA ASP A 37 3.975 11.481 6.201 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.027 8.985 4.809 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.899 10.502 4.891 1.00 0.00 H new ATOM 496 N ILE A 38 2.829 10.309 3.347 1.00 0.00 N ATOM 497 CA ILE A 38 2.387 10.695 2.013 1.00 0.00 C ATOM 498 C ILE A 38 1.306 11.769 2.082 1.00 0.00 C ATOM 499 O ILE A 38 1.442 12.840 1.490 1.00 0.00 O ATOM 500 CB ILE A 38 1.845 9.487 1.228 1.00 0.00 C ATOM 501 CG1 ILE A 38 2.923 8.409 1.099 1.00 0.00 C ATOM 502 CG2 ILE A 38 1.357 9.923 -0.146 1.00 0.00 C ATOM 503 CD1 ILE A 38 4.221 8.920 0.513 1.00 0.00 C ATOM 0 H ILE A 38 2.632 9.339 3.592 1.00 0.00 H new ATOM 0 HA ILE A 38 3.259 11.093 1.494 1.00 0.00 H new ATOM 0 HB ILE A 38 1.001 9.067 1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.120 7.984 2.083 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.544 7.601 0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.977 9.057 -0.689 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.561 10.659 -0.033 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.183 10.366 -0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.939 8.102 0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.038 9.319 -0.485 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.623 9.708 1.150 1.00 0.00 H new ATOM 515 N ILE A 39 0.234 11.475 2.810 1.00 0.00 N ATOM 516 CA ILE A 39 -0.869 12.417 2.958 1.00 0.00 C ATOM 517 C ILE A 39 -0.399 13.718 3.600 1.00 0.00 C ATOM 518 O ILE A 39 -0.926 14.791 3.309 1.00 0.00 O ATOM 519 CB ILE A 39 -2.008 11.821 3.808 1.00 0.00 C ATOM 520 CG1 ILE A 39 -3.170 12.810 3.908 1.00 0.00 C ATOM 521 CG2 ILE A 39 -1.498 11.452 5.193 1.00 0.00 C ATOM 522 CD1 ILE A 39 -3.974 12.929 2.632 1.00 0.00 C ATOM 0 H ILE A 39 0.106 10.593 3.306 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.244 12.624 1.956 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.368 10.914 3.322 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.831 12.500 4.717 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.779 13.792 4.174 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.314 11.032 5.781 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.700 10.715 5.102 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.114 12.344 5.689 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.781 13.647 2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.326 13.269 1.824 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.395 11.957 2.375 1.00 0.00 H new ATOM 534 N SER A 40 0.598 13.614 4.473 1.00 0.00 N ATOM 535 CA SER A 40 1.139 14.782 5.157 1.00 0.00 C ATOM 536 C SER A 40 2.418 15.265 4.480 1.00 0.00 C ATOM 537 O SER A 40 3.345 15.731 5.141 1.00 0.00 O ATOM 538 CB SER A 40 1.417 14.456 6.626 1.00 0.00 C ATOM 539 OG SER A 40 1.587 15.638 7.388 1.00 0.00 O ATOM 0 H SER A 40 1.047 12.733 4.723 1.00 0.00 H new ATOM 0 HA SER A 40 0.398 15.579 5.103 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.592 13.872 7.034 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.312 13.839 6.702 1.00 0.00 H new ATOM 0 HG SER A 40 2.255 16.212 6.957 1.00 0.00 H new ATOM 545 N GLY A 41 2.460 15.148 3.157 1.00 0.00 N ATOM 546 CA GLY A 41 3.629 15.575 2.411 1.00 0.00 C ATOM 547 C GLY A 41 3.286 16.554 1.306 1.00 0.00 C ATOM 548 O GLY A 41 2.132 16.946 1.131 1.00 0.00 O ATOM 0 H GLY A 41 1.705 14.765 2.588 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.343 16.037 3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.120 14.702 1.980 1.00 0.00 H new ATOM 552 N PRO A 42 4.305 16.966 0.537 1.00 0.00 N ATOM 553 CA PRO A 42 4.130 17.912 -0.569 1.00 0.00 C ATOM 554 C PRO A 42 3.367 17.301 -1.739 1.00 0.00 C ATOM 555 O PRO A 42 3.493 16.109 -2.019 1.00 0.00 O ATOM 556 CB PRO A 42 5.566 18.243 -0.983 1.00 0.00 C ATOM 557 CG PRO A 42 6.365 17.059 -0.559 1.00 0.00 C ATOM 558 CD PRO A 42 5.707 16.540 0.689 1.00 0.00 C ATOM 0 HA PRO A 42 3.546 18.783 -0.272 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.640 18.406 -2.058 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.918 19.153 -0.497 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.378 16.298 -1.339 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.402 17.336 -0.367 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.792 15.456 0.767 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.160 16.961 1.587 1.00 0.00 H new ATOM 566 N GLN A 43 2.575 18.125 -2.418 1.00 0.00 N ATOM 567 CA GLN A 43 1.792 17.664 -3.558 1.00 0.00 C ATOM 568 C GLN A 43 2.572 16.642 -4.378 1.00 0.00 C ATOM 569 O GLN A 43 2.000 15.689 -4.906 1.00 0.00 O ATOM 570 CB GLN A 43 1.392 18.847 -4.442 1.00 0.00 C ATOM 571 CG GLN A 43 2.575 19.546 -5.093 1.00 0.00 C ATOM 572 CD GLN A 43 3.285 20.495 -4.148 1.00 0.00 C ATOM 573 OE1 GLN A 43 4.090 20.075 -3.316 1.00 0.00 O ATOM 574 NE2 GLN A 43 2.989 21.784 -4.270 1.00 0.00 N ATOM 0 H GLN A 43 2.459 19.114 -2.198 1.00 0.00 H new ATOM 0 HA GLN A 43 0.891 17.184 -3.176 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.715 18.496 -5.220 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.840 19.569 -3.841 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.283 18.798 -5.450 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.229 20.100 -5.966 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.316 22.088 -4.973 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.435 22.470 -3.660 1.00 0.00 H new ATOM 583 N GLN A 44 3.881 16.848 -4.480 1.00 0.00 N ATOM 584 CA GLN A 44 4.740 15.945 -5.237 1.00 0.00 C ATOM 585 C GLN A 44 4.710 14.540 -4.643 1.00 0.00 C ATOM 586 O GLN A 44 4.332 13.578 -5.313 1.00 0.00 O ATOM 587 CB GLN A 44 6.175 16.471 -5.261 1.00 0.00 C ATOM 588 CG GLN A 44 7.061 15.779 -6.285 1.00 0.00 C ATOM 589 CD GLN A 44 6.529 15.908 -7.698 1.00 0.00 C ATOM 590 OE1 GLN A 44 6.330 17.015 -8.201 1.00 0.00 O ATOM 591 NE2 GLN A 44 6.295 14.775 -8.349 1.00 0.00 N ATOM 0 H GLN A 44 4.370 17.632 -4.048 1.00 0.00 H new ATOM 0 HA GLN A 44 4.362 15.896 -6.258 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.157 17.540 -5.472 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.614 16.348 -4.271 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.064 16.203 -6.238 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.149 14.723 -6.029 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.474 13.879 -7.895 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.936 14.800 -9.304 1.00 0.00 H new ATOM 600 N THR A 45 5.112 14.428 -3.381 1.00 0.00 N ATOM 601 CA THR A 45 5.133 13.142 -2.697 1.00 0.00 C ATOM 602 C THR A 45 3.801 12.417 -2.848 1.00 0.00 C ATOM 603 O THR A 45 3.764 11.224 -3.148 1.00 0.00 O ATOM 604 CB THR A 45 5.449 13.307 -1.198 1.00 0.00 C ATOM 605 OG1 THR A 45 6.773 13.825 -1.031 1.00 0.00 O ATOM 606 CG2 THR A 45 5.322 11.978 -0.469 1.00 0.00 C ATOM 0 H THR A 45 5.428 15.213 -2.812 1.00 0.00 H new ATOM 0 HA THR A 45 5.920 12.550 -3.163 1.00 0.00 H new ATOM 0 HB THR A 45 4.730 14.007 -0.772 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.025 13.779 -0.085 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.550 12.119 0.588 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.305 11.601 -0.574 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.021 11.260 -0.898 1.00 0.00 H new ATOM 614 N GLN A 46 2.709 13.145 -2.637 1.00 0.00 N ATOM 615 CA GLN A 46 1.374 12.570 -2.749 1.00 0.00 C ATOM 616 C GLN A 46 1.163 11.950 -4.127 1.00 0.00 C ATOM 617 O GLN A 46 0.708 10.812 -4.244 1.00 0.00 O ATOM 618 CB GLN A 46 0.312 13.639 -2.490 1.00 0.00 C ATOM 619 CG GLN A 46 0.224 14.070 -1.035 1.00 0.00 C ATOM 620 CD GLN A 46 -0.881 15.079 -0.790 1.00 0.00 C ATOM 621 OE1 GLN A 46 -1.477 15.604 -1.731 1.00 0.00 O ATOM 622 NE2 GLN A 46 -1.160 15.355 0.478 1.00 0.00 N ATOM 0 H GLN A 46 2.723 14.134 -2.388 1.00 0.00 H new ATOM 0 HA GLN A 46 1.279 11.785 -1.999 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.529 14.512 -3.106 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.659 13.259 -2.807 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.055 13.193 -0.410 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.178 14.500 -0.729 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.640 14.896 1.226 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.894 16.026 0.704 1.00 0.00 H new ATOM 631 N LYS A 47 1.496 12.705 -5.168 1.00 0.00 N ATOM 632 CA LYS A 47 1.345 12.231 -6.538 1.00 0.00 C ATOM 633 C LYS A 47 2.223 11.009 -6.791 1.00 0.00 C ATOM 634 O LYS A 47 1.787 10.035 -7.404 1.00 0.00 O ATOM 635 CB LYS A 47 1.701 13.343 -7.527 1.00 0.00 C ATOM 636 CG LYS A 47 0.708 14.492 -7.535 1.00 0.00 C ATOM 637 CD LYS A 47 1.024 15.494 -8.632 1.00 0.00 C ATOM 638 CE LYS A 47 2.238 16.340 -8.282 1.00 0.00 C ATOM 639 NZ LYS A 47 2.897 16.895 -9.497 1.00 0.00 N ATOM 0 H LYS A 47 1.873 13.649 -5.089 1.00 0.00 H new ATOM 0 HA LYS A 47 0.304 11.944 -6.684 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.690 13.731 -7.284 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.762 12.920 -8.530 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.300 14.102 -7.676 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.723 14.994 -6.567 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.205 14.965 -9.568 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.162 16.142 -8.794 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.934 17.158 -7.628 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.954 15.735 -7.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.720 17.465 -9.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.210 16.115 -10.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.222 17.493 -10.015 1.00 0.00 H new ATOM 653 N VAL A 48 3.462 11.068 -6.314 1.00 0.00 N ATOM 654 CA VAL A 48 4.401 9.966 -6.486 1.00 0.00 C ATOM 655 C VAL A 48 3.789 8.646 -6.030 1.00 0.00 C ATOM 656 O VAL A 48 3.932 7.620 -6.695 1.00 0.00 O ATOM 657 CB VAL A 48 5.705 10.212 -5.705 1.00 0.00 C ATOM 658 CG1 VAL A 48 6.651 9.030 -5.859 1.00 0.00 C ATOM 659 CG2 VAL A 48 6.368 11.500 -6.167 1.00 0.00 C ATOM 0 H VAL A 48 3.839 11.868 -5.805 1.00 0.00 H new ATOM 0 HA VAL A 48 4.630 9.909 -7.550 1.00 0.00 H new ATOM 0 HB VAL A 48 5.461 10.316 -4.648 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.567 9.222 -5.300 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.173 8.129 -5.474 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.891 8.891 -6.913 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.288 11.658 -5.604 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.600 11.429 -7.230 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.692 12.338 -5.999 1.00 0.00 H new ATOM 669 N PHE A 49 3.105 8.680 -4.891 1.00 0.00 N ATOM 670 CA PHE A 49 2.470 7.486 -4.345 1.00 0.00 C ATOM 671 C PHE A 49 1.209 7.134 -5.128 1.00 0.00 C ATOM 672 O PHE A 49 0.980 5.972 -5.468 1.00 0.00 O ATOM 673 CB PHE A 49 2.125 7.696 -2.869 1.00 0.00 C ATOM 674 CG PHE A 49 0.961 6.870 -2.402 1.00 0.00 C ATOM 675 CD1 PHE A 49 -0.338 7.259 -2.683 1.00 0.00 C ATOM 676 CD2 PHE A 49 1.167 5.705 -1.681 1.00 0.00 C ATOM 677 CE1 PHE A 49 -1.412 6.500 -2.255 1.00 0.00 C ATOM 678 CE2 PHE A 49 0.097 4.942 -1.251 1.00 0.00 C ATOM 679 CZ PHE A 49 -1.194 5.341 -1.537 1.00 0.00 C ATOM 0 H PHE A 49 2.976 9.521 -4.328 1.00 0.00 H new ATOM 0 HA PHE A 49 3.174 6.658 -4.433 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.998 7.455 -2.262 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.902 8.750 -2.703 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.514 8.166 -3.243 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.174 5.389 -1.452 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.420 6.814 -2.482 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.271 4.035 -0.692 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.031 4.748 -1.200 1.00 0.00 H new ATOM 689 N LEU A 50 0.394 8.144 -5.411 1.00 0.00 N ATOM 690 CA LEU A 50 -0.845 7.942 -6.154 1.00 0.00 C ATOM 691 C LEU A 50 -0.562 7.375 -7.541 1.00 0.00 C ATOM 692 O LEU A 50 -1.465 6.886 -8.220 1.00 0.00 O ATOM 693 CB LEU A 50 -1.610 9.261 -6.276 1.00 0.00 C ATOM 694 CG LEU A 50 -2.390 9.702 -5.037 1.00 0.00 C ATOM 695 CD1 LEU A 50 -2.815 11.157 -5.164 1.00 0.00 C ATOM 696 CD2 LEU A 50 -3.602 8.807 -4.824 1.00 0.00 C ATOM 0 H LEU A 50 0.569 9.111 -5.137 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.455 7.224 -5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.900 10.047 -6.533 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.308 9.177 -7.109 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.738 9.610 -4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.369 11.453 -4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.931 11.786 -5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.450 11.275 -6.042 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.145 9.135 -3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.256 8.867 -5.694 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.274 7.777 -4.687 1.00 0.00 H new ATOM 708 N PHE A 51 0.699 7.442 -7.956 1.00 0.00 N ATOM 709 CA PHE A 51 1.101 6.933 -9.263 1.00 0.00 C ATOM 710 C PHE A 51 1.640 5.510 -9.150 1.00 0.00 C ATOM 711 O PHE A 51 1.398 4.673 -10.020 1.00 0.00 O ATOM 712 CB PHE A 51 2.163 7.845 -9.883 1.00 0.00 C ATOM 713 CG PHE A 51 2.723 7.320 -11.174 1.00 0.00 C ATOM 714 CD1 PHE A 51 3.511 6.181 -11.191 1.00 0.00 C ATOM 715 CD2 PHE A 51 2.461 7.967 -12.371 1.00 0.00 C ATOM 716 CE1 PHE A 51 4.028 5.696 -12.377 1.00 0.00 C ATOM 717 CE2 PHE A 51 2.975 7.486 -13.561 1.00 0.00 C ATOM 718 CZ PHE A 51 3.760 6.349 -13.564 1.00 0.00 C ATOM 0 H PHE A 51 1.459 7.843 -7.407 1.00 0.00 H new ATOM 0 HA PHE A 51 0.222 6.919 -9.907 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.728 8.829 -10.058 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.977 7.978 -9.170 1.00 0.00 H new ATOM 0 HD1 PHE A 51 3.724 5.666 -10.266 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.849 8.857 -12.374 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.641 4.807 -12.376 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.763 7.999 -14.488 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.163 5.972 -14.492 1.00 0.00 H new ATOM 728 N ILE A 52 2.372 5.245 -8.073 1.00 0.00 N ATOM 729 CA ILE A 52 2.945 3.924 -7.846 1.00 0.00 C ATOM 730 C ILE A 52 1.854 2.867 -7.713 1.00 0.00 C ATOM 731 O ILE A 52 2.002 1.743 -8.192 1.00 0.00 O ATOM 732 CB ILE A 52 3.824 3.901 -6.582 1.00 0.00 C ATOM 733 CG1 ILE A 52 5.038 4.813 -6.762 1.00 0.00 C ATOM 734 CG2 ILE A 52 4.264 2.479 -6.269 1.00 0.00 C ATOM 735 CD1 ILE A 52 5.610 5.323 -5.457 1.00 0.00 C ATOM 0 H ILE A 52 2.582 5.927 -7.344 1.00 0.00 H new ATOM 0 HA ILE A 52 3.565 3.696 -8.713 1.00 0.00 H new ATOM 0 HB ILE A 52 3.237 4.272 -5.742 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.814 4.270 -7.302 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.755 5.663 -7.382 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.885 2.479 -5.373 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.386 1.855 -6.102 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.837 2.083 -7.107 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.468 5.963 -5.661 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.849 5.895 -4.925 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.925 4.479 -4.843 1.00 0.00 H new ATOM 747 N ARG A 53 0.757 3.236 -7.059 1.00 0.00 N ATOM 748 CA ARG A 53 -0.361 2.321 -6.863 1.00 0.00 C ATOM 749 C ARG A 53 -1.059 2.024 -8.187 1.00 0.00 C ATOM 750 O ARG A 53 -1.148 0.872 -8.609 1.00 0.00 O ATOM 751 CB ARG A 53 -1.361 2.909 -5.867 1.00 0.00 C ATOM 752 CG ARG A 53 -2.660 2.126 -5.774 1.00 0.00 C ATOM 753 CD ARG A 53 -3.821 3.018 -5.364 1.00 0.00 C ATOM 754 NE ARG A 53 -4.292 3.846 -6.471 1.00 0.00 N ATOM 755 CZ ARG A 53 -4.936 4.997 -6.306 1.00 0.00 C ATOM 756 NH1 ARG A 53 -5.182 5.453 -5.086 1.00 0.00 N ATOM 757 NH2 ARG A 53 -5.333 5.693 -7.363 1.00 0.00 N ATOM 0 H ARG A 53 0.619 4.163 -6.656 1.00 0.00 H new ATOM 0 HA ARG A 53 0.033 1.387 -6.462 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.899 2.948 -4.881 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.586 3.936 -6.154 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.877 1.664 -6.737 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.548 1.318 -5.051 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.641 2.400 -4.999 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.512 3.659 -4.538 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.117 3.523 -7.423 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.877 4.920 -4.271 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.676 6.337 -4.962 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.144 5.345 -8.303 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.827 6.576 -7.236 1.00 0.00 H new ATOM 771 N ASN A 54 -1.554 3.072 -8.837 1.00 0.00 N ATOM 772 CA ASN A 54 -2.246 2.924 -10.112 1.00 0.00 C ATOM 773 C ASN A 54 -1.426 2.076 -11.080 1.00 0.00 C ATOM 774 O ASN A 54 -1.946 1.150 -11.703 1.00 0.00 O ATOM 775 CB ASN A 54 -2.524 4.296 -10.728 1.00 0.00 C ATOM 776 CG ASN A 54 -3.739 4.969 -10.118 1.00 0.00 C ATOM 777 OD1 ASN A 54 -4.672 4.302 -9.671 1.00 0.00 O ATOM 778 ND2 ASN A 54 -3.732 6.296 -10.098 1.00 0.00 N ATOM 0 H ASN A 54 -1.489 4.033 -8.502 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.194 2.418 -9.926 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.652 4.935 -10.593 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.674 4.185 -11.802 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.522 6.804 -9.701 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.937 6.808 -10.480 1.00 0.00 H new ATOM 785 N ARG A 55 -0.143 2.399 -11.201 1.00 0.00 N ATOM 786 CA ARG A 55 0.749 1.668 -12.093 1.00 0.00 C ATOM 787 C ARG A 55 0.800 0.190 -11.718 1.00 0.00 C ATOM 788 O ARG A 55 0.719 -0.684 -12.582 1.00 0.00 O ATOM 789 CB ARG A 55 2.156 2.267 -12.045 1.00 0.00 C ATOM 790 CG ARG A 55 3.144 1.574 -12.970 1.00 0.00 C ATOM 791 CD ARG A 55 2.969 2.026 -14.411 1.00 0.00 C ATOM 792 NE ARG A 55 3.444 1.023 -15.361 1.00 0.00 N ATOM 793 CZ ARG A 55 3.840 1.310 -16.596 1.00 0.00 C ATOM 794 NH1 ARG A 55 3.818 2.563 -17.028 1.00 0.00 N ATOM 795 NH2 ARG A 55 4.260 0.342 -17.401 1.00 0.00 N ATOM 0 H ARG A 55 0.303 3.163 -10.692 1.00 0.00 H new ATOM 0 HA ARG A 55 0.360 1.755 -13.107 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.102 3.323 -12.310 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.530 2.214 -11.022 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.162 1.786 -12.642 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.007 0.494 -12.907 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.916 2.234 -14.600 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.511 2.958 -14.567 1.00 0.00 H new ATOM 0 HE ARG A 55 3.473 0.049 -15.059 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.496 3.309 -16.412 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.123 2.781 -17.977 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.279 -0.623 -17.071 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.564 0.563 -18.349 1.00 0.00 H new ATOM 809 N THR A 56 0.937 -0.083 -10.425 1.00 0.00 N ATOM 810 CA THR A 56 1.002 -1.455 -9.935 1.00 0.00 C ATOM 811 C THR A 56 -0.202 -2.263 -10.406 1.00 0.00 C ATOM 812 O THR A 56 -0.073 -3.431 -10.775 1.00 0.00 O ATOM 813 CB THR A 56 1.067 -1.500 -8.397 1.00 0.00 C ATOM 814 OG1 THR A 56 2.207 -0.768 -7.933 1.00 0.00 O ATOM 815 CG2 THR A 56 1.143 -2.936 -7.901 1.00 0.00 C ATOM 0 H THR A 56 1.005 0.628 -9.697 1.00 0.00 H new ATOM 0 HA THR A 56 1.913 -1.894 -10.342 1.00 0.00 H new ATOM 0 HB THR A 56 0.159 -1.044 -8.003 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.938 0.146 -7.704 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.188 -2.943 -6.812 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.259 -3.482 -8.231 1.00 0.00 H new ATOM 0 HG23 THR A 56 2.036 -3.413 -8.304 1.00 0.00 H new ATOM 823 N LEU A 57 -1.373 -1.635 -10.391 1.00 0.00 N ATOM 824 CA LEU A 57 -2.601 -2.297 -10.818 1.00 0.00 C ATOM 825 C LEU A 57 -2.580 -2.570 -12.318 1.00 0.00 C ATOM 826 O LEU A 57 -3.085 -3.593 -12.779 1.00 0.00 O ATOM 827 CB LEU A 57 -3.816 -1.439 -10.461 1.00 0.00 C ATOM 828 CG LEU A 57 -4.229 -1.439 -8.989 1.00 0.00 C ATOM 829 CD1 LEU A 57 -5.276 -0.367 -8.728 1.00 0.00 C ATOM 830 CD2 LEU A 57 -4.752 -2.808 -8.582 1.00 0.00 C ATOM 0 H LEU A 57 -1.498 -0.669 -10.088 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.671 -3.251 -10.295 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.610 -0.411 -10.760 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.664 -1.780 -11.055 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.350 -1.214 -8.385 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.558 -0.382 -7.675 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.866 0.611 -8.980 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.156 -0.561 -9.342 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.041 -2.789 -7.531 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.618 -3.063 -9.192 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.972 -3.554 -8.730 1.00 0.00 H new ATOM 842 N GLN A 58 -1.990 -1.650 -13.074 1.00 0.00 N ATOM 843 CA GLN A 58 -1.901 -1.793 -14.522 1.00 0.00 C ATOM 844 C GLN A 58 -1.198 -3.093 -14.899 1.00 0.00 C ATOM 845 O GLN A 58 -1.762 -3.936 -15.598 1.00 0.00 O ATOM 846 CB GLN A 58 -1.157 -0.602 -15.129 1.00 0.00 C ATOM 847 CG GLN A 58 -2.049 0.598 -15.402 1.00 0.00 C ATOM 848 CD GLN A 58 -2.910 0.416 -16.637 1.00 0.00 C ATOM 849 OE1 GLN A 58 -4.139 0.397 -16.553 1.00 0.00 O ATOM 850 NE2 GLN A 58 -2.269 0.282 -17.792 1.00 0.00 N ATOM 0 H GLN A 58 -1.566 -0.798 -12.708 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.915 -1.821 -14.922 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.356 -0.302 -14.453 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.687 -0.915 -16.062 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.691 0.773 -14.539 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.429 1.486 -15.523 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.249 0.304 -17.815 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.796 0.157 -18.656 1.00 0.00 H new ATOM 859 N LEU A 59 0.035 -3.249 -14.431 1.00 0.00 N ATOM 860 CA LEU A 59 0.817 -4.447 -14.719 1.00 0.00 C ATOM 861 C LEU A 59 0.084 -5.700 -14.250 1.00 0.00 C ATOM 862 O LEU A 59 0.154 -6.748 -14.893 1.00 0.00 O ATOM 863 CB LEU A 59 2.187 -4.361 -14.045 1.00 0.00 C ATOM 864 CG LEU A 59 2.961 -3.060 -14.262 1.00 0.00 C ATOM 865 CD1 LEU A 59 4.084 -2.931 -13.244 1.00 0.00 C ATOM 866 CD2 LEU A 59 3.512 -2.997 -15.678 1.00 0.00 C ATOM 0 H LEU A 59 0.515 -2.561 -13.851 1.00 0.00 H new ATOM 0 HA LEU A 59 0.955 -4.511 -15.798 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.052 -4.506 -12.973 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.799 -5.189 -14.404 1.00 0.00 H new ATOM 0 HG LEU A 59 2.275 -2.224 -14.124 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.624 -1.999 -13.414 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.665 -2.929 -12.238 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.769 -3.772 -13.350 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.060 -2.064 -15.814 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.183 -3.840 -15.845 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.689 -3.042 -16.391 1.00 0.00 H new ATOM 878 N TRP A 60 -0.618 -5.584 -13.130 1.00 0.00 N ATOM 879 CA TRP A 60 -1.365 -6.708 -12.576 1.00 0.00 C ATOM 880 C TRP A 60 -2.562 -7.052 -13.456 1.00 0.00 C ATOM 881 O TRP A 60 -2.865 -8.225 -13.679 1.00 0.00 O ATOM 882 CB TRP A 60 -1.836 -6.385 -11.157 1.00 0.00 C ATOM 883 CG TRP A 60 -3.106 -7.085 -10.778 1.00 0.00 C ATOM 884 CD1 TRP A 60 -4.358 -6.543 -10.733 1.00 0.00 C ATOM 885 CD2 TRP A 60 -3.245 -8.456 -10.390 1.00 0.00 C ATOM 886 NE1 TRP A 60 -5.268 -7.495 -10.339 1.00 0.00 N ATOM 887 CE2 TRP A 60 -4.610 -8.677 -10.124 1.00 0.00 C ATOM 888 CE3 TRP A 60 -2.350 -9.519 -10.243 1.00 0.00 C ATOM 889 CZ2 TRP A 60 -5.099 -9.916 -9.719 1.00 0.00 C ATOM 890 CZ3 TRP A 60 -2.836 -10.748 -9.840 1.00 0.00 C ATOM 891 CH2 TRP A 60 -4.200 -10.939 -9.583 1.00 0.00 C ATOM 0 H TRP A 60 -0.686 -4.723 -12.587 1.00 0.00 H new ATOM 0 HA TRP A 60 -0.701 -7.572 -12.543 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -1.053 -6.661 -10.451 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -1.982 -5.309 -11.067 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.598 -5.517 -10.972 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.271 -7.345 -10.225 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.297 -9.382 -10.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -6.150 -10.065 -9.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -2.153 -11.576 -9.721 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.549 -11.912 -9.271 1.00 0.00 H new ATOM 902 N LEU A 61 -3.240 -6.023 -13.953 1.00 0.00 N ATOM 903 CA LEU A 61 -4.405 -6.217 -14.810 1.00 0.00 C ATOM 904 C LEU A 61 -3.994 -6.772 -16.170 1.00 0.00 C ATOM 905 O LEU A 61 -4.810 -7.351 -16.887 1.00 0.00 O ATOM 906 CB LEU A 61 -5.156 -4.897 -14.990 1.00 0.00 C ATOM 907 CG LEU A 61 -6.239 -4.594 -13.954 1.00 0.00 C ATOM 908 CD1 LEU A 61 -6.834 -3.214 -14.192 1.00 0.00 C ATOM 909 CD2 LEU A 61 -7.326 -5.658 -13.992 1.00 0.00 C ATOM 0 H LEU A 61 -3.003 -5.046 -13.778 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.064 -6.939 -14.328 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.430 -4.084 -14.975 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.616 -4.896 -15.978 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.782 -4.605 -12.965 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.603 -3.016 -13.445 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.050 -2.461 -14.114 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.276 -3.175 -15.187 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.088 -5.426 -13.248 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.780 -5.679 -14.983 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.889 -6.632 -13.772 1.00 0.00 H new ATOM 921 N ASP A 62 -2.725 -6.591 -16.518 1.00 0.00 N ATOM 922 CA ASP A 62 -2.205 -7.076 -17.791 1.00 0.00 C ATOM 923 C ASP A 62 -1.695 -8.508 -17.660 1.00 0.00 C ATOM 924 O ASP A 62 -1.840 -9.315 -18.577 1.00 0.00 O ATOM 925 CB ASP A 62 -1.081 -6.165 -18.287 1.00 0.00 C ATOM 926 CG ASP A 62 -0.737 -6.410 -19.743 1.00 0.00 C ATOM 927 OD1 ASP A 62 -1.663 -6.696 -20.531 1.00 0.00 O ATOM 928 OD2 ASP A 62 0.457 -6.317 -20.095 1.00 0.00 O ATOM 0 H ASP A 62 -2.037 -6.112 -15.936 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.019 -7.064 -18.516 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.377 -5.124 -18.157 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.193 -6.323 -17.675 1.00 0.00 H new ATOM 933 N ASN A 63 -1.098 -8.815 -16.513 1.00 0.00 N ATOM 934 CA ASN A 63 -0.565 -10.150 -16.262 1.00 0.00 C ATOM 935 C ASN A 63 -1.039 -10.680 -14.912 1.00 0.00 C ATOM 936 O ASN A 63 -0.250 -11.135 -14.084 1.00 0.00 O ATOM 937 CB ASN A 63 0.964 -10.128 -16.306 1.00 0.00 C ATOM 938 CG ASN A 63 1.548 -11.446 -16.774 1.00 0.00 C ATOM 939 OD1 ASN A 63 0.899 -12.205 -17.494 1.00 0.00 O ATOM 940 ND2 ASN A 63 2.781 -11.725 -16.367 1.00 0.00 N ATOM 0 H ASN A 63 -0.971 -8.158 -15.743 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.934 -10.814 -17.043 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.294 -9.331 -16.972 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.350 -9.895 -15.314 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.227 -12.598 -16.651 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.282 -11.067 -15.771 1.00 0.00 H new ATOM 947 N PRO A 64 -2.359 -10.621 -14.684 1.00 0.00 N ATOM 948 CA PRO A 64 -2.969 -11.091 -13.436 1.00 0.00 C ATOM 949 C PRO A 64 -2.914 -12.609 -13.301 1.00 0.00 C ATOM 950 O PRO A 64 -3.343 -13.169 -12.292 1.00 0.00 O ATOM 951 CB PRO A 64 -4.420 -10.616 -13.549 1.00 0.00 C ATOM 952 CG PRO A 64 -4.669 -10.504 -15.013 1.00 0.00 C ATOM 953 CD PRO A 64 -3.359 -10.090 -15.626 1.00 0.00 C ATOM 0 HA PRO A 64 -2.449 -10.708 -12.558 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.106 -11.324 -13.084 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.563 -9.658 -13.049 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.009 -11.454 -15.425 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.447 -9.769 -15.221 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.232 -10.508 -16.625 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.285 -9.007 -15.723 1.00 0.00 H new ATOM 961 N LYS A 65 -2.384 -13.271 -14.324 1.00 0.00 N ATOM 962 CA LYS A 65 -2.271 -14.725 -14.320 1.00 0.00 C ATOM 963 C LYS A 65 -1.148 -15.180 -13.394 1.00 0.00 C ATOM 964 O LYS A 65 -1.094 -16.344 -12.995 1.00 0.00 O ATOM 965 CB LYS A 65 -2.020 -15.242 -15.738 1.00 0.00 C ATOM 966 CG LYS A 65 -0.888 -14.525 -16.454 1.00 0.00 C ATOM 967 CD LYS A 65 -0.151 -15.457 -17.402 1.00 0.00 C ATOM 968 CE LYS A 65 -0.762 -15.433 -18.795 1.00 0.00 C ATOM 969 NZ LYS A 65 -0.100 -16.405 -19.708 1.00 0.00 N ATOM 0 H LYS A 65 -2.026 -12.823 -15.167 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.211 -15.137 -13.952 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.793 -16.307 -15.693 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.934 -15.135 -16.322 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.287 -13.678 -17.012 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.189 -14.123 -15.721 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.898 -15.165 -17.459 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.178 -16.473 -17.009 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.825 -15.663 -18.729 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.678 -14.429 -19.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.545 -16.358 -20.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.910 -16.171 -19.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.202 -17.366 -19.324 1.00 0.00 H new ATOM 983 N ILE A 66 -0.254 -14.257 -13.057 1.00 0.00 N ATOM 984 CA ILE A 66 0.866 -14.564 -12.177 1.00 0.00 C ATOM 985 C ILE A 66 0.967 -13.551 -11.041 1.00 0.00 C ATOM 986 O ILE A 66 0.508 -12.416 -11.167 1.00 0.00 O ATOM 987 CB ILE A 66 2.199 -14.587 -12.948 1.00 0.00 C ATOM 988 CG1 ILE A 66 2.613 -13.166 -13.337 1.00 0.00 C ATOM 989 CG2 ILE A 66 2.080 -15.466 -14.184 1.00 0.00 C ATOM 990 CD1 ILE A 66 4.044 -13.064 -13.818 1.00 0.00 C ATOM 0 H ILE A 66 -0.284 -13.290 -13.380 1.00 0.00 H new ATOM 0 HA ILE A 66 0.678 -15.554 -11.762 1.00 0.00 H new ATOM 0 HB ILE A 66 2.969 -15.005 -12.300 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.948 -12.804 -14.121 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.479 -12.509 -12.478 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.030 -15.472 -14.719 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.825 -16.483 -13.884 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.299 -15.074 -14.836 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.268 -12.029 -14.076 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.718 -13.395 -13.028 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.178 -13.695 -14.697 1.00 0.00 H new ATOM 1002 N GLN A 67 1.572 -13.970 -9.934 1.00 0.00 N ATOM 1003 CA GLN A 67 1.734 -13.098 -8.777 1.00 0.00 C ATOM 1004 C GLN A 67 2.690 -11.951 -9.088 1.00 0.00 C ATOM 1005 O GLN A 67 3.766 -12.161 -9.650 1.00 0.00 O ATOM 1006 CB GLN A 67 2.251 -13.897 -7.579 1.00 0.00 C ATOM 1007 CG GLN A 67 3.713 -14.294 -7.697 1.00 0.00 C ATOM 1008 CD GLN A 67 4.020 -15.010 -8.998 1.00 0.00 C ATOM 1009 OE1 GLN A 67 3.560 -16.129 -9.228 1.00 0.00 O ATOM 1010 NE2 GLN A 67 4.800 -14.367 -9.859 1.00 0.00 N ATOM 0 H GLN A 67 1.958 -14.907 -9.814 1.00 0.00 H new ATOM 0 HA GLN A 67 0.759 -12.677 -8.532 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.116 -13.306 -6.673 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.647 -14.797 -7.465 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.335 -13.402 -7.622 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.979 -14.939 -6.860 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.160 -13.441 -9.628 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.039 -14.799 -10.751 1.00 0.00 H new ATOM 1019 N LEU A 68 2.290 -10.739 -8.721 1.00 0.00 N ATOM 1020 CA LEU A 68 3.111 -9.557 -8.962 1.00 0.00 C ATOM 1021 C LEU A 68 4.044 -9.293 -7.784 1.00 0.00 C ATOM 1022 O LEU A 68 3.639 -8.716 -6.774 1.00 0.00 O ATOM 1023 CB LEU A 68 2.223 -8.336 -9.208 1.00 0.00 C ATOM 1024 CG LEU A 68 2.938 -7.072 -9.687 1.00 0.00 C ATOM 1025 CD1 LEU A 68 3.543 -7.290 -11.065 1.00 0.00 C ATOM 1026 CD2 LEU A 68 1.978 -5.891 -9.705 1.00 0.00 C ATOM 0 H LEU A 68 1.403 -10.548 -8.256 1.00 0.00 H new ATOM 0 HA LEU A 68 3.718 -9.741 -9.848 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.467 -8.604 -9.947 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.696 -8.103 -8.283 1.00 0.00 H new ATOM 0 HG LEU A 68 3.745 -6.848 -8.990 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.047 -6.380 -11.389 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.262 -8.108 -11.021 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.753 -7.539 -11.774 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.504 -5.000 -10.048 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.149 -6.106 -10.380 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.593 -5.720 -8.700 1.00 0.00 H new ATOM 1038 N THR A 69 5.297 -9.716 -7.921 1.00 0.00 N ATOM 1039 CA THR A 69 6.287 -9.525 -6.870 1.00 0.00 C ATOM 1040 C THR A 69 6.633 -8.049 -6.701 1.00 0.00 C ATOM 1041 O THR A 69 6.396 -7.240 -7.598 1.00 0.00 O ATOM 1042 CB THR A 69 7.578 -10.312 -7.164 1.00 0.00 C ATOM 1043 OG1 THR A 69 8.222 -9.780 -8.327 1.00 0.00 O ATOM 1044 CG2 THR A 69 7.276 -11.788 -7.376 1.00 0.00 C ATOM 0 H THR A 69 5.650 -10.193 -8.751 1.00 0.00 H new ATOM 0 HA THR A 69 5.844 -9.900 -5.947 1.00 0.00 H new ATOM 0 HB THR A 69 8.241 -10.213 -6.305 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.043 -10.285 -8.506 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.203 -12.323 -7.582 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.813 -12.197 -6.478 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.596 -11.903 -8.220 1.00 0.00 H new ATOM 1052 N PHE A 70 7.194 -7.706 -5.547 1.00 0.00 N ATOM 1053 CA PHE A 70 7.571 -6.327 -5.261 1.00 0.00 C ATOM 1054 C PHE A 70 8.664 -5.853 -6.215 1.00 0.00 C ATOM 1055 O PHE A 70 8.617 -4.732 -6.720 1.00 0.00 O ATOM 1056 CB PHE A 70 8.051 -6.196 -3.814 1.00 0.00 C ATOM 1057 CG PHE A 70 8.950 -5.015 -3.584 1.00 0.00 C ATOM 1058 CD1 PHE A 70 10.322 -5.132 -3.735 1.00 0.00 C ATOM 1059 CD2 PHE A 70 8.422 -3.787 -3.217 1.00 0.00 C ATOM 1060 CE1 PHE A 70 11.152 -4.047 -3.525 1.00 0.00 C ATOM 1061 CE2 PHE A 70 9.247 -2.699 -3.006 1.00 0.00 C ATOM 1062 CZ PHE A 70 10.614 -2.829 -3.159 1.00 0.00 C ATOM 0 H PHE A 70 7.398 -8.364 -4.795 1.00 0.00 H new ATOM 0 HA PHE A 70 6.691 -5.700 -5.403 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.184 -6.115 -3.158 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.581 -7.106 -3.532 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.748 -6.082 -4.020 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.354 -3.680 -3.095 1.00 0.00 H new ATOM 0 HE1 PHE A 70 12.220 -4.152 -3.647 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.823 -1.747 -2.722 1.00 0.00 H new ATOM 0 HZ PHE A 70 11.260 -1.980 -2.993 1.00 0.00 H new ATOM 1072 N GLU A 71 9.646 -6.716 -6.456 1.00 0.00 N ATOM 1073 CA GLU A 71 10.751 -6.385 -7.348 1.00 0.00 C ATOM 1074 C GLU A 71 10.236 -6.002 -8.733 1.00 0.00 C ATOM 1075 O GLU A 71 10.470 -4.891 -9.207 1.00 0.00 O ATOM 1076 CB GLU A 71 11.716 -7.567 -7.460 1.00 0.00 C ATOM 1077 CG GLU A 71 12.707 -7.655 -6.312 1.00 0.00 C ATOM 1078 CD GLU A 71 12.085 -8.209 -5.045 1.00 0.00 C ATOM 1079 OE1 GLU A 71 11.105 -8.976 -5.151 1.00 0.00 O ATOM 1080 OE2 GLU A 71 12.579 -7.876 -3.948 1.00 0.00 O ATOM 0 H GLU A 71 9.699 -7.649 -6.046 1.00 0.00 H new ATOM 0 HA GLU A 71 11.281 -5.531 -6.927 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.141 -8.492 -7.504 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.266 -7.489 -8.398 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.544 -8.287 -6.608 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.112 -6.663 -6.110 1.00 0.00 H new ATOM 1087 N ALA A 72 9.535 -6.930 -9.375 1.00 0.00 N ATOM 1088 CA ALA A 72 8.986 -6.690 -10.704 1.00 0.00 C ATOM 1089 C ALA A 72 8.324 -5.318 -10.784 1.00 0.00 C ATOM 1090 O ALA A 72 8.692 -4.487 -11.615 1.00 0.00 O ATOM 1091 CB ALA A 72 7.989 -7.780 -11.068 1.00 0.00 C ATOM 0 H ALA A 72 9.334 -7.855 -8.996 1.00 0.00 H new ATOM 0 HA ALA A 72 9.808 -6.711 -11.419 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.587 -7.588 -12.063 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.489 -8.748 -11.059 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.175 -7.786 -10.343 1.00 0.00 H new ATOM 1097 N THR A 73 7.345 -5.086 -9.916 1.00 0.00 N ATOM 1098 CA THR A 73 6.630 -3.816 -9.890 1.00 0.00 C ATOM 1099 C THR A 73 7.600 -2.640 -9.868 1.00 0.00 C ATOM 1100 O THR A 73 7.400 -1.644 -10.565 1.00 0.00 O ATOM 1101 CB THR A 73 5.698 -3.720 -8.668 1.00 0.00 C ATOM 1102 OG1 THR A 73 4.799 -4.835 -8.649 1.00 0.00 O ATOM 1103 CG2 THR A 73 4.904 -2.423 -8.693 1.00 0.00 C ATOM 0 H THR A 73 7.029 -5.762 -9.221 1.00 0.00 H new ATOM 0 HA THR A 73 6.030 -3.773 -10.799 1.00 0.00 H new ATOM 0 HB THR A 73 6.313 -3.734 -7.768 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.265 -5.625 -8.305 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.253 -2.378 -7.820 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.590 -1.576 -8.678 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.299 -2.384 -9.599 1.00 0.00 H new ATOM 1111 N LEU A 74 8.652 -2.762 -9.066 1.00 0.00 N ATOM 1112 CA LEU A 74 9.655 -1.708 -8.954 1.00 0.00 C ATOM 1113 C LEU A 74 10.391 -1.515 -10.276 1.00 0.00 C ATOM 1114 O LEU A 74 10.423 -0.412 -10.822 1.00 0.00 O ATOM 1115 CB LEU A 74 10.654 -2.044 -7.845 1.00 0.00 C ATOM 1116 CG LEU A 74 11.958 -1.245 -7.853 1.00 0.00 C ATOM 1117 CD1 LEU A 74 11.817 0.015 -7.013 1.00 0.00 C ATOM 1118 CD2 LEU A 74 13.110 -2.100 -7.345 1.00 0.00 C ATOM 0 H LEU A 74 8.833 -3.580 -8.484 1.00 0.00 H new ATOM 0 HA LEU A 74 9.144 -0.778 -8.705 1.00 0.00 H new ATOM 0 HB2 LEU A 74 10.164 -1.892 -6.883 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.900 -3.104 -7.914 1.00 0.00 H new ATOM 0 HG LEU A 74 12.175 -0.950 -8.880 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.755 0.571 -7.030 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.019 0.636 -7.420 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.576 -0.258 -5.986 1.00 0.00 H new ATOM 0 HD21 LEU A 74 14.030 -1.516 -7.358 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.900 -2.425 -6.326 1.00 0.00 H new ATOM 0 HD23 LEU A 74 13.226 -2.973 -7.987 1.00 0.00 H new ATOM 1130 N GLN A 75 10.978 -2.593 -10.784 1.00 0.00 N ATOM 1131 CA GLN A 75 11.712 -2.541 -12.043 1.00 0.00 C ATOM 1132 C GLN A 75 10.879 -1.873 -13.131 1.00 0.00 C ATOM 1133 O GLN A 75 11.332 -0.932 -13.782 1.00 0.00 O ATOM 1134 CB GLN A 75 12.112 -3.951 -12.483 1.00 0.00 C ATOM 1135 CG GLN A 75 13.117 -4.615 -11.556 1.00 0.00 C ATOM 1136 CD GLN A 75 14.550 -4.259 -11.898 1.00 0.00 C ATOM 1137 OE1 GLN A 75 15.150 -4.845 -12.799 1.00 0.00 O ATOM 1138 NE2 GLN A 75 15.108 -3.292 -11.178 1.00 0.00 N ATOM 0 H GLN A 75 10.960 -3.513 -10.344 1.00 0.00 H new ATOM 0 HA GLN A 75 12.613 -1.948 -11.885 1.00 0.00 H new ATOM 0 HB2 GLN A 75 11.218 -4.572 -12.541 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.533 -3.904 -13.487 1.00 0.00 H new ATOM 0 HG2 GLN A 75 12.908 -4.319 -10.528 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.993 -5.697 -11.607 1.00 0.00 H new ATOM 0 HE21 GLN A 75 14.574 -2.833 -10.440 1.00 0.00 H new ATOM 0 HE22 GLN A 75 16.070 -3.009 -11.363 1.00 0.00 H new ATOM 1147 N GLN A 76 9.660 -2.367 -13.323 1.00 0.00 N ATOM 1148 CA GLN A 76 8.764 -1.817 -14.335 1.00 0.00 C ATOM 1149 C GLN A 76 8.446 -0.354 -14.043 1.00 0.00 C ATOM 1150 O GLN A 76 8.300 0.455 -14.960 1.00 0.00 O ATOM 1151 CB GLN A 76 7.470 -2.630 -14.396 1.00 0.00 C ATOM 1152 CG GLN A 76 7.685 -4.088 -14.769 1.00 0.00 C ATOM 1153 CD GLN A 76 6.544 -4.980 -14.319 1.00 0.00 C ATOM 1154 OE1 GLN A 76 5.846 -5.576 -15.140 1.00 0.00 O ATOM 1155 NE2 GLN A 76 6.348 -5.075 -13.009 1.00 0.00 N ATOM 0 H GLN A 76 9.270 -3.146 -12.792 1.00 0.00 H new ATOM 0 HA GLN A 76 9.267 -1.875 -15.300 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.974 -2.581 -13.427 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.797 -2.173 -15.122 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.800 -4.169 -15.850 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.615 -4.440 -14.322 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.951 -4.563 -12.365 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.595 -5.660 -12.647 1.00 0.00 H new ATOM 1164 N LEU A 77 8.340 -0.021 -12.762 1.00 0.00 N ATOM 1165 CA LEU A 77 8.038 1.345 -12.349 1.00 0.00 C ATOM 1166 C LEU A 77 9.109 2.312 -12.843 1.00 0.00 C ATOM 1167 O LEU A 77 10.238 1.911 -13.125 1.00 0.00 O ATOM 1168 CB LEU A 77 7.926 1.425 -10.825 1.00 0.00 C ATOM 1169 CG LEU A 77 6.518 1.279 -10.247 1.00 0.00 C ATOM 1170 CD1 LEU A 77 6.578 0.732 -8.829 1.00 0.00 C ATOM 1171 CD2 LEU A 77 5.789 2.615 -10.275 1.00 0.00 C ATOM 0 H LEU A 77 8.459 -0.678 -11.991 1.00 0.00 H new ATOM 0 HA LEU A 77 7.084 1.630 -12.793 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.557 0.648 -10.393 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.333 2.383 -10.501 1.00 0.00 H new ATOM 0 HG LEU A 77 5.963 0.572 -10.864 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.567 0.635 -8.433 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.061 -0.245 -8.836 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.150 1.414 -8.200 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.789 2.492 -9.860 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.341 3.343 -9.681 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.714 2.967 -11.304 1.00 0.00 H new ATOM 1183 N GLU A 78 8.747 3.587 -12.943 1.00 0.00 N ATOM 1184 CA GLU A 78 9.679 4.611 -13.402 1.00 0.00 C ATOM 1185 C GLU A 78 9.802 5.734 -12.376 1.00 0.00 C ATOM 1186 O GLU A 78 8.814 6.377 -12.022 1.00 0.00 O ATOM 1187 CB GLU A 78 9.222 5.182 -14.746 1.00 0.00 C ATOM 1188 CG GLU A 78 7.843 5.817 -14.701 1.00 0.00 C ATOM 1189 CD GLU A 78 7.421 6.392 -16.039 1.00 0.00 C ATOM 1190 OE1 GLU A 78 8.199 7.177 -16.620 1.00 0.00 O ATOM 1191 OE2 GLU A 78 6.312 6.056 -16.506 1.00 0.00 O ATOM 0 H GLU A 78 7.816 3.936 -12.713 1.00 0.00 H new ATOM 0 HA GLU A 78 10.657 4.146 -13.526 1.00 0.00 H new ATOM 0 HB2 GLU A 78 9.945 5.927 -15.079 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.221 4.384 -15.489 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.114 5.071 -14.384 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.836 6.608 -13.951 1.00 0.00 H new ATOM 1198 N ALA A 79 11.022 5.963 -11.902 1.00 0.00 N ATOM 1199 CA ALA A 79 11.276 7.008 -10.918 1.00 0.00 C ATOM 1200 C ALA A 79 10.607 8.318 -11.323 1.00 0.00 C ATOM 1201 O ALA A 79 10.186 8.500 -12.466 1.00 0.00 O ATOM 1202 CB ALA A 79 12.773 7.212 -10.738 1.00 0.00 C ATOM 0 H ALA A 79 11.850 5.439 -12.184 1.00 0.00 H new ATOM 0 HA ALA A 79 10.847 6.689 -9.968 1.00 0.00 H new ATOM 0 HB1 ALA A 79 12.947 7.995 -10.000 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.228 6.283 -10.395 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.217 7.504 -11.689 1.00 0.00 H new ATOM 1208 N PRO A 80 10.506 9.252 -10.367 1.00 0.00 N ATOM 1209 CA PRO A 80 11.003 9.046 -9.003 1.00 0.00 C ATOM 1210 C PRO A 80 10.173 8.026 -8.231 1.00 0.00 C ATOM 1211 O PRO A 80 10.502 7.674 -7.098 1.00 0.00 O ATOM 1212 CB PRO A 80 10.875 10.432 -8.366 1.00 0.00 C ATOM 1213 CG PRO A 80 9.791 11.104 -9.136 1.00 0.00 C ATOM 1214 CD PRO A 80 9.897 10.582 -10.542 1.00 0.00 C ATOM 0 HA PRO A 80 12.018 8.650 -8.995 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.623 10.360 -7.308 1.00 0.00 H new ATOM 0 HB3 PRO A 80 11.811 10.987 -8.433 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.813 10.880 -8.709 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.909 12.187 -9.112 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.920 10.517 -11.021 1.00 0.00 H new ATOM 0 HD3 PRO A 80 10.515 11.228 -11.165 1.00 0.00 H new ATOM 1222 N TYR A 81 9.097 7.554 -8.852 1.00 0.00 N ATOM 1223 CA TYR A 81 8.219 6.576 -8.222 1.00 0.00 C ATOM 1224 C TYR A 81 9.023 5.411 -7.651 1.00 0.00 C ATOM 1225 O TYR A 81 9.011 5.166 -6.445 1.00 0.00 O ATOM 1226 CB TYR A 81 7.193 6.056 -9.230 1.00 0.00 C ATOM 1227 CG TYR A 81 6.557 7.146 -10.063 1.00 0.00 C ATOM 1228 CD1 TYR A 81 6.175 8.352 -9.489 1.00 0.00 C ATOM 1229 CD2 TYR A 81 6.338 6.970 -11.423 1.00 0.00 C ATOM 1230 CE1 TYR A 81 5.593 9.351 -10.245 1.00 0.00 C ATOM 1231 CE2 TYR A 81 5.757 7.963 -12.188 1.00 0.00 C ATOM 1232 CZ TYR A 81 5.387 9.152 -11.594 1.00 0.00 C ATOM 1233 OH TYR A 81 4.807 10.143 -12.352 1.00 0.00 O ATOM 0 H TYR A 81 8.812 7.833 -9.791 1.00 0.00 H new ATOM 0 HA TYR A 81 7.696 7.070 -7.403 1.00 0.00 H new ATOM 0 HB2 TYR A 81 7.678 5.340 -9.893 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.412 5.516 -8.695 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.336 8.511 -8.433 1.00 0.00 H new ATOM 0 HD2 TYR A 81 6.627 6.041 -11.891 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.301 10.282 -9.782 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.593 7.809 -13.244 1.00 0.00 H new ATOM 0 HH TYR A 81 3.911 9.860 -12.630 1.00 0.00 H new ATOM 1243 N ASN A 82 9.721 4.696 -8.527 1.00 0.00 N ATOM 1244 CA ASN A 82 10.531 3.556 -8.112 1.00 0.00 C ATOM 1245 C ASN A 82 11.670 4.002 -7.201 1.00 0.00 C ATOM 1246 O ASN A 82 12.127 3.245 -6.345 1.00 0.00 O ATOM 1247 CB ASN A 82 11.095 2.832 -9.336 1.00 0.00 C ATOM 1248 CG ASN A 82 12.407 3.428 -9.807 1.00 0.00 C ATOM 1249 OD1 ASN A 82 13.365 3.532 -9.040 1.00 0.00 O ATOM 1250 ND2 ASN A 82 12.457 3.823 -11.073 1.00 0.00 N ATOM 0 H ASN A 82 9.742 4.886 -9.529 1.00 0.00 H new ATOM 0 HA ASN A 82 9.892 2.870 -7.556 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.243 1.779 -9.096 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.368 2.875 -10.147 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.314 4.232 -11.446 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.639 3.718 -11.673 1.00 0.00 H new ATOM 1257 N SER A 83 12.125 5.237 -7.392 1.00 0.00 N ATOM 1258 CA SER A 83 13.213 5.783 -6.590 1.00 0.00 C ATOM 1259 C SER A 83 13.060 5.388 -5.125 1.00 0.00 C ATOM 1260 O SER A 83 13.976 4.829 -4.522 1.00 0.00 O ATOM 1261 CB SER A 83 13.254 7.307 -6.718 1.00 0.00 C ATOM 1262 OG SER A 83 14.511 7.820 -6.313 1.00 0.00 O ATOM 0 H SER A 83 11.757 5.878 -8.095 1.00 0.00 H new ATOM 0 HA SER A 83 14.150 5.369 -6.963 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.057 7.594 -7.751 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.465 7.747 -6.109 1.00 0.00 H new ATOM 0 HG SER A 83 14.512 8.796 -6.406 1.00 0.00 H new ATOM 1268 N ASP A 84 11.895 5.684 -4.558 1.00 0.00 N ATOM 1269 CA ASP A 84 11.619 5.359 -3.163 1.00 0.00 C ATOM 1270 C ASP A 84 11.075 3.940 -3.033 1.00 0.00 C ATOM 1271 O ASP A 84 9.864 3.720 -3.085 1.00 0.00 O ATOM 1272 CB ASP A 84 10.622 6.358 -2.573 1.00 0.00 C ATOM 1273 CG ASP A 84 10.982 7.795 -2.896 1.00 0.00 C ATOM 1274 OD1 ASP A 84 12.190 8.102 -2.967 1.00 0.00 O ATOM 1275 OD2 ASP A 84 10.055 8.612 -3.078 1.00 0.00 O ATOM 0 H ASP A 84 11.127 6.148 -5.043 1.00 0.00 H new ATOM 0 HA ASP A 84 12.555 5.421 -2.608 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.625 6.141 -2.957 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.582 6.231 -1.491 1.00 0.00 H new ATOM 1280 N THR A 85 11.977 2.979 -2.864 1.00 0.00 N ATOM 1281 CA THR A 85 11.588 1.581 -2.729 1.00 0.00 C ATOM 1282 C THR A 85 10.640 1.385 -1.551 1.00 0.00 C ATOM 1283 O THR A 85 9.629 0.692 -1.663 1.00 0.00 O ATOM 1284 CB THR A 85 12.817 0.671 -2.541 1.00 0.00 C ATOM 1285 OG1 THR A 85 13.663 1.197 -1.513 1.00 0.00 O ATOM 1286 CG2 THR A 85 13.602 0.548 -3.838 1.00 0.00 C ATOM 0 H THR A 85 12.983 3.143 -2.817 1.00 0.00 H new ATOM 0 HA THR A 85 11.078 1.305 -3.652 1.00 0.00 H new ATOM 0 HB THR A 85 12.467 -0.320 -2.251 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.441 0.612 -1.398 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.465 -0.099 -3.681 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.963 0.120 -4.611 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.941 1.535 -4.153 1.00 0.00 H new ATOM 1294 N VAL A 86 10.974 2.001 -0.421 1.00 0.00 N ATOM 1295 CA VAL A 86 10.151 1.896 0.778 1.00 0.00 C ATOM 1296 C VAL A 86 8.676 2.109 0.453 1.00 0.00 C ATOM 1297 O VAL A 86 7.804 1.437 1.006 1.00 0.00 O ATOM 1298 CB VAL A 86 10.582 2.919 1.846 1.00 0.00 C ATOM 1299 CG1 VAL A 86 10.058 4.304 1.501 1.00 0.00 C ATOM 1300 CG2 VAL A 86 10.102 2.485 3.223 1.00 0.00 C ATOM 0 H VAL A 86 11.808 2.578 -0.311 1.00 0.00 H new ATOM 0 HA VAL A 86 10.292 0.889 1.171 1.00 0.00 H new ATOM 0 HB VAL A 86 11.671 2.964 1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.372 5.013 2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.456 4.613 0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.969 4.280 1.454 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.415 3.219 3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.015 2.411 3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.532 1.514 3.469 1.00 0.00 H new ATOM 1310 N LEU A 87 8.404 3.046 -0.447 1.00 0.00 N ATOM 1311 CA LEU A 87 7.034 3.348 -0.847 1.00 0.00 C ATOM 1312 C LEU A 87 6.451 2.216 -1.688 1.00 0.00 C ATOM 1313 O LEU A 87 5.341 1.748 -1.433 1.00 0.00 O ATOM 1314 CB LEU A 87 6.988 4.659 -1.634 1.00 0.00 C ATOM 1315 CG LEU A 87 5.644 5.388 -1.646 1.00 0.00 C ATOM 1316 CD1 LEU A 87 5.165 5.647 -0.226 1.00 0.00 C ATOM 1317 CD2 LEU A 87 5.752 6.693 -2.421 1.00 0.00 C ATOM 0 H LEU A 87 9.114 3.610 -0.914 1.00 0.00 H new ATOM 0 HA LEU A 87 6.433 3.453 0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.740 5.333 -1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.275 4.451 -2.665 1.00 0.00 H new ATOM 0 HG LEU A 87 4.912 4.753 -2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.207 6.167 -0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.048 4.698 0.297 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.896 6.262 0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.786 7.198 -2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.498 7.334 -1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.049 6.483 -3.448 1.00 0.00 H new ATOM 1329 N VAL A 88 7.207 1.781 -2.691 1.00 0.00 N ATOM 1330 CA VAL A 88 6.767 0.702 -3.567 1.00 0.00 C ATOM 1331 C VAL A 88 6.446 -0.558 -2.770 1.00 0.00 C ATOM 1332 O VAL A 88 5.620 -1.372 -3.182 1.00 0.00 O ATOM 1333 CB VAL A 88 7.835 0.368 -4.626 1.00 0.00 C ATOM 1334 CG1 VAL A 88 7.362 -0.766 -5.523 1.00 0.00 C ATOM 1335 CG2 VAL A 88 8.173 1.603 -5.448 1.00 0.00 C ATOM 0 H VAL A 88 8.127 2.159 -2.917 1.00 0.00 H new ATOM 0 HA VAL A 88 5.864 1.050 -4.069 1.00 0.00 H new ATOM 0 HB VAL A 88 8.740 0.041 -4.114 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.130 -0.988 -6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.174 -1.654 -4.919 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.443 -0.470 -6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.929 1.350 -6.191 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.275 1.962 -5.951 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.557 2.383 -4.791 1.00 0.00 H new ATOM 1345 N HIS A 89 7.106 -0.712 -1.627 1.00 0.00 N ATOM 1346 CA HIS A 89 6.891 -1.872 -0.770 1.00 0.00 C ATOM 1347 C HIS A 89 5.628 -1.702 0.068 1.00 0.00 C ATOM 1348 O HIS A 89 4.907 -2.666 0.324 1.00 0.00 O ATOM 1349 CB HIS A 89 8.098 -2.090 0.143 1.00 0.00 C ATOM 1350 CG HIS A 89 8.181 -3.475 0.706 1.00 0.00 C ATOM 1351 ND1 HIS A 89 7.242 -3.992 1.574 1.00 0.00 N ATOM 1352 CD2 HIS A 89 9.098 -4.453 0.520 1.00 0.00 C ATOM 1353 CE1 HIS A 89 7.579 -5.228 1.898 1.00 0.00 C ATOM 1354 NE2 HIS A 89 8.702 -5.531 1.272 1.00 0.00 N ATOM 0 H HIS A 89 7.794 -0.048 -1.273 1.00 0.00 H new ATOM 0 HA HIS A 89 6.767 -2.746 -1.409 1.00 0.00 H new ATOM 0 HB2 HIS A 89 9.009 -1.879 -0.417 1.00 0.00 H new ATOM 0 HB3 HIS A 89 8.056 -1.375 0.964 1.00 0.00 H new ATOM 0 HD1 HIS A 89 6.417 -3.498 1.913 1.00 0.00 H new ATOM 0 HD2 HIS A 89 9.978 -4.396 -0.104 1.00 0.00 H new ATOM 0 HE1 HIS A 89 7.030 -5.879 2.562 1.00 0.00 H new ATOM 1363 N ARG A 90 5.366 -0.470 0.492 1.00 0.00 N ATOM 1364 CA ARG A 90 4.191 -0.174 1.303 1.00 0.00 C ATOM 1365 C ARG A 90 2.942 -0.074 0.433 1.00 0.00 C ATOM 1366 O ARG A 90 1.833 -0.358 0.886 1.00 0.00 O ATOM 1367 CB ARG A 90 4.394 1.131 2.076 1.00 0.00 C ATOM 1368 CG ARG A 90 5.515 1.064 3.100 1.00 0.00 C ATOM 1369 CD ARG A 90 6.092 2.442 3.385 1.00 0.00 C ATOM 1370 NE ARG A 90 6.664 2.529 4.726 1.00 0.00 N ATOM 1371 CZ ARG A 90 7.196 3.638 5.227 1.00 0.00 C ATOM 1372 NH1 ARG A 90 7.229 4.748 4.502 1.00 0.00 N ATOM 1373 NH2 ARG A 90 7.697 3.639 6.456 1.00 0.00 N ATOM 0 H ARG A 90 5.952 0.340 0.287 1.00 0.00 H new ATOM 0 HA ARG A 90 4.054 -0.990 2.012 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.607 1.933 1.369 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.465 1.391 2.583 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.139 0.627 4.025 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.304 0.406 2.735 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.861 2.673 2.647 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.309 3.193 3.275 1.00 0.00 H new ATOM 0 HE ARG A 90 6.654 1.692 5.310 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.845 4.752 3.557 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.638 5.598 4.889 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.674 2.787 7.017 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.105 4.491 6.840 1.00 0.00 H new ATOM 1387 N VAL A 91 3.129 0.332 -0.818 1.00 0.00 N ATOM 1388 CA VAL A 91 2.018 0.469 -1.752 1.00 0.00 C ATOM 1389 C VAL A 91 1.564 -0.891 -2.270 1.00 0.00 C ATOM 1390 O VAL A 91 0.383 -1.233 -2.198 1.00 0.00 O ATOM 1391 CB VAL A 91 2.397 1.362 -2.949 1.00 0.00 C ATOM 1392 CG1 VAL A 91 1.278 1.379 -3.978 1.00 0.00 C ATOM 1393 CG2 VAL A 91 2.723 2.771 -2.479 1.00 0.00 C ATOM 0 H VAL A 91 4.040 0.572 -1.209 1.00 0.00 H new ATOM 0 HA VAL A 91 1.200 0.937 -1.204 1.00 0.00 H new ATOM 0 HB VAL A 91 3.286 0.947 -3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.564 2.015 -4.816 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.098 0.366 -4.336 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.369 1.769 -3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.989 3.388 -3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.853 3.198 -1.980 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.561 2.738 -1.783 1.00 0.00 H new ATOM 1403 N HIS A 92 2.511 -1.665 -2.793 1.00 0.00 N ATOM 1404 CA HIS A 92 2.209 -2.990 -3.323 1.00 0.00 C ATOM 1405 C HIS A 92 1.508 -3.848 -2.274 1.00 0.00 C ATOM 1406 O HIS A 92 0.716 -4.729 -2.607 1.00 0.00 O ATOM 1407 CB HIS A 92 3.491 -3.680 -3.789 1.00 0.00 C ATOM 1408 CG HIS A 92 3.245 -4.893 -4.633 1.00 0.00 C ATOM 1409 ND1 HIS A 92 2.955 -6.132 -4.103 1.00 0.00 N ATOM 1410 CD2 HIS A 92 3.246 -5.051 -5.977 1.00 0.00 C ATOM 1411 CE1 HIS A 92 2.790 -7.001 -5.085 1.00 0.00 C ATOM 1412 NE2 HIS A 92 2.960 -6.370 -6.232 1.00 0.00 N ATOM 0 H HIS A 92 3.493 -1.397 -2.861 1.00 0.00 H new ATOM 0 HA HIS A 92 1.540 -2.870 -4.175 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.091 -2.969 -4.356 1.00 0.00 H new ATOM 0 HB3 HIS A 92 4.077 -3.967 -2.916 1.00 0.00 H new ATOM 0 HD1 HIS A 92 2.880 -6.345 -3.108 1.00 0.00 H new ATOM 0 HD2 HIS A 92 3.436 -4.283 -6.712 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.556 -8.049 -4.969 1.00 0.00 H new ATOM 1421 N SER A 93 1.805 -3.584 -1.005 1.00 0.00 N ATOM 1422 CA SER A 93 1.207 -4.335 0.092 1.00 0.00 C ATOM 1423 C SER A 93 -0.260 -3.959 0.271 1.00 0.00 C ATOM 1424 O SER A 93 -1.153 -4.784 0.073 1.00 0.00 O ATOM 1425 CB SER A 93 1.974 -4.078 1.391 1.00 0.00 C ATOM 1426 OG SER A 93 2.239 -2.696 1.562 1.00 0.00 O ATOM 0 H SER A 93 2.456 -2.856 -0.712 1.00 0.00 H new ATOM 0 HA SER A 93 1.265 -5.396 -0.152 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.396 -4.448 2.238 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.912 -4.633 1.379 1.00 0.00 H new ATOM 0 HG SER A 93 2.583 -2.538 2.466 1.00 0.00 H new ATOM 1432 N TYR A 94 -0.503 -2.709 0.647 1.00 0.00 N ATOM 1433 CA TYR A 94 -1.861 -2.223 0.856 1.00 0.00 C ATOM 1434 C TYR A 94 -2.813 -2.799 -0.189 1.00 0.00 C ATOM 1435 O TYR A 94 -3.971 -3.096 0.106 1.00 0.00 O ATOM 1436 CB TYR A 94 -1.893 -0.694 0.802 1.00 0.00 C ATOM 1437 CG TYR A 94 -3.213 -0.132 0.325 1.00 0.00 C ATOM 1438 CD1 TYR A 94 -3.453 0.080 -1.027 1.00 0.00 C ATOM 1439 CD2 TYR A 94 -4.222 0.185 1.227 1.00 0.00 C ATOM 1440 CE1 TYR A 94 -4.657 0.594 -1.467 1.00 0.00 C ATOM 1441 CE2 TYR A 94 -5.430 0.698 0.796 1.00 0.00 C ATOM 1442 CZ TYR A 94 -5.642 0.901 -0.552 1.00 0.00 C ATOM 1443 OH TYR A 94 -6.844 1.412 -0.986 1.00 0.00 O ATOM 0 H TYR A 94 0.224 -2.013 0.813 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.189 -2.552 1.842 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.677 -0.299 1.795 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.099 -0.346 0.141 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.685 -0.161 -1.746 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.059 0.028 2.283 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.826 0.755 -2.522 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.204 0.939 1.510 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.428 1.573 -0.216 1.00 0.00 H new ATOM 1453 N LEU A 95 -2.314 -2.956 -1.410 1.00 0.00 N ATOM 1454 CA LEU A 95 -3.118 -3.498 -2.500 1.00 0.00 C ATOM 1455 C LEU A 95 -3.431 -4.973 -2.265 1.00 0.00 C ATOM 1456 O LEU A 95 -4.580 -5.342 -2.027 1.00 0.00 O ATOM 1457 CB LEU A 95 -2.387 -3.326 -3.833 1.00 0.00 C ATOM 1458 CG LEU A 95 -2.181 -1.886 -4.304 1.00 0.00 C ATOM 1459 CD1 LEU A 95 -0.969 -1.793 -5.219 1.00 0.00 C ATOM 1460 CD2 LEU A 95 -3.426 -1.373 -5.012 1.00 0.00 C ATOM 0 H LEU A 95 -1.357 -2.716 -1.670 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.058 -2.947 -2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.411 -3.804 -3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.943 -3.863 -4.602 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.001 -1.260 -3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.837 -0.761 -5.545 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.080 -2.119 -4.680 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.120 -2.432 -6.089 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.261 -0.347 -5.340 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.637 -2.001 -5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.273 -1.403 -4.326 1.00 0.00 H new ATOM 1472 N GLU A 96 -2.400 -5.809 -2.333 1.00 0.00 N ATOM 1473 CA GLU A 96 -2.566 -7.243 -2.126 1.00 0.00 C ATOM 1474 C GLU A 96 -3.380 -7.520 -0.865 1.00 0.00 C ATOM 1475 O GLU A 96 -4.357 -8.268 -0.897 1.00 0.00 O ATOM 1476 CB GLU A 96 -1.201 -7.928 -2.026 1.00 0.00 C ATOM 1477 CG GLU A 96 -1.269 -9.344 -1.480 1.00 0.00 C ATOM 1478 CD GLU A 96 -2.514 -10.084 -1.930 1.00 0.00 C ATOM 1479 OE1 GLU A 96 -2.661 -10.311 -3.149 1.00 0.00 O ATOM 1480 OE2 GLU A 96 -3.341 -10.435 -1.063 1.00 0.00 O ATOM 0 H GLU A 96 -1.442 -5.519 -2.530 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.106 -7.648 -2.982 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.742 -7.950 -3.014 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.551 -7.332 -1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.386 -9.896 -1.802 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -1.244 -9.311 -0.391 1.00 0.00 H new ATOM 1487 N ARG A 97 -2.969 -6.912 0.243 1.00 0.00 N ATOM 1488 CA ARG A 97 -3.658 -7.094 1.515 1.00 0.00 C ATOM 1489 C ARG A 97 -5.134 -6.729 1.390 1.00 0.00 C ATOM 1490 O ARG A 97 -6.000 -7.395 1.960 1.00 0.00 O ATOM 1491 CB ARG A 97 -3.001 -6.242 2.602 1.00 0.00 C ATOM 1492 CG ARG A 97 -1.819 -6.920 3.276 1.00 0.00 C ATOM 1493 CD ARG A 97 -0.593 -6.928 2.375 1.00 0.00 C ATOM 1494 NE ARG A 97 0.641 -7.114 3.133 1.00 0.00 N ATOM 1495 CZ ARG A 97 1.111 -8.303 3.492 1.00 0.00 C ATOM 1496 NH1 ARG A 97 0.453 -9.407 3.162 1.00 0.00 N ATOM 1497 NH2 ARG A 97 2.242 -8.391 4.180 1.00 0.00 N ATOM 0 H ARG A 97 -2.162 -6.289 0.286 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.583 -8.145 1.793 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -2.668 -5.302 2.163 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.746 -5.994 3.358 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -1.584 -6.404 4.207 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -2.086 -7.944 3.538 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -0.690 -7.725 1.638 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -0.542 -5.989 1.824 1.00 0.00 H new ATOM 0 HE ARG A 97 1.171 -6.285 3.402 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.416 -9.344 2.631 1.00 0.00 H new ATOM 0 HH12 ARG A 97 0.816 -10.319 3.439 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.752 -7.545 4.434 1.00 0.00 H new ATOM 0 HH22 ARG A 97 2.602 -9.305 4.455 1.00 0.00 H new ATOM 1511 N HIS A 98 -5.415 -5.666 0.643 1.00 0.00 N ATOM 1512 CA HIS A 98 -6.787 -5.212 0.443 1.00 0.00 C ATOM 1513 C HIS A 98 -7.450 -5.974 -0.700 1.00 0.00 C ATOM 1514 O HIS A 98 -8.515 -5.588 -1.180 1.00 0.00 O ATOM 1515 CB HIS A 98 -6.812 -3.711 0.155 1.00 0.00 C ATOM 1516 CG HIS A 98 -6.444 -2.867 1.336 1.00 0.00 C ATOM 1517 ND1 HIS A 98 -7.040 -1.655 1.610 1.00 0.00 N ATOM 1518 CD2 HIS A 98 -5.535 -3.069 2.319 1.00 0.00 C ATOM 1519 CE1 HIS A 98 -6.512 -1.146 2.709 1.00 0.00 C ATOM 1520 NE2 HIS A 98 -5.596 -1.985 3.159 1.00 0.00 N ATOM 0 H HIS A 98 -4.711 -5.103 0.166 1.00 0.00 H new ATOM 0 HA HIS A 98 -7.346 -5.408 1.358 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -6.125 -3.495 -0.663 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.809 -3.431 -0.184 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.883 -3.924 2.423 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -6.783 -0.204 3.162 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -5.027 -1.849 3.994 1.00 0.00 H new ATOM 1529 N GLY A 99 -6.812 -7.057 -1.133 1.00 0.00 N ATOM 1530 CA GLY A 99 -7.355 -7.854 -2.217 1.00 0.00 C ATOM 1531 C GLY A 99 -7.500 -7.063 -3.502 1.00 0.00 C ATOM 1532 O GLY A 99 -8.452 -7.262 -4.258 1.00 0.00 O ATOM 0 H GLY A 99 -5.929 -7.397 -0.752 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.706 -8.712 -2.393 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.329 -8.246 -1.923 1.00 0.00 H new ATOM 1536 N LEU A 100 -6.555 -6.163 -3.751 1.00 0.00 N ATOM 1537 CA LEU A 100 -6.583 -5.337 -4.953 1.00 0.00 C ATOM 1538 C LEU A 100 -5.657 -5.904 -6.024 1.00 0.00 C ATOM 1539 O LEU A 100 -5.698 -5.483 -7.180 1.00 0.00 O ATOM 1540 CB LEU A 100 -6.175 -3.901 -4.619 1.00 0.00 C ATOM 1541 CG LEU A 100 -7.046 -3.178 -3.591 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -6.965 -1.672 -3.788 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -8.488 -3.653 -3.686 1.00 0.00 C ATOM 0 H LEU A 100 -5.760 -5.987 -3.137 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.602 -5.338 -5.341 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.149 -3.912 -4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.178 -3.320 -5.541 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.671 -3.414 -2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.591 -1.174 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.932 -1.345 -3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.314 -1.417 -4.789 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.093 -3.128 -2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.874 -3.447 -4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.531 -4.725 -3.495 1.00 0.00 H new ATOM 1555 N ILE A 101 -4.825 -6.864 -5.633 1.00 0.00 N ATOM 1556 CA ILE A 101 -3.892 -7.491 -6.560 1.00 0.00 C ATOM 1557 C ILE A 101 -3.525 -8.899 -6.103 1.00 0.00 C ATOM 1558 O ILE A 101 -3.828 -9.296 -4.979 1.00 0.00 O ATOM 1559 CB ILE A 101 -2.604 -6.660 -6.711 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -1.903 -6.516 -5.359 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -2.922 -5.293 -7.298 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -0.483 -6.005 -5.467 1.00 0.00 C ATOM 0 H ILE A 101 -4.778 -7.224 -4.680 1.00 0.00 H new ATOM 0 HA ILE A 101 -4.395 -7.545 -7.525 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.931 -7.179 -7.394 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.479 -5.836 -4.731 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.895 -7.484 -4.858 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -2.002 -4.717 -7.399 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.382 -5.416 -8.278 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -3.610 -4.765 -6.638 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -0.047 -5.928 -4.471 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.108 -6.696 -6.069 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.485 -5.023 -5.940 1.00 0.00 H new ATOM 1574 N ASN A 102 -2.868 -9.648 -6.982 1.00 0.00 N ATOM 1575 CA ASN A 102 -2.458 -11.012 -6.668 1.00 0.00 C ATOM 1576 C ASN A 102 -3.548 -11.743 -5.890 1.00 0.00 C ATOM 1577 O ASN A 102 -3.304 -12.268 -4.804 1.00 0.00 O ATOM 1578 CB ASN A 102 -1.158 -11.003 -5.861 1.00 0.00 C ATOM 1579 CG ASN A 102 -0.027 -10.307 -6.593 1.00 0.00 C ATOM 1580 OD1 ASN A 102 -0.257 -9.550 -7.536 1.00 0.00 O ATOM 1581 ND2 ASN A 102 1.202 -10.563 -6.162 1.00 0.00 N ATOM 0 H ASN A 102 -2.608 -9.334 -7.917 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.291 -11.540 -7.607 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.330 -10.505 -4.907 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -0.865 -12.029 -5.638 1.00 0.00 H new ATOM 0 HD21 ASN A 102 2.003 -10.125 -6.616 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.345 -11.198 -5.376 1.00 0.00 H new ATOM 1588 N PHE A 103 -4.751 -11.773 -6.455 1.00 0.00 N ATOM 1589 CA PHE A 103 -5.879 -12.439 -5.814 1.00 0.00 C ATOM 1590 C PHE A 103 -6.531 -13.439 -6.765 1.00 0.00 C ATOM 1591 O PHE A 103 -7.690 -13.813 -6.590 1.00 0.00 O ATOM 1592 CB PHE A 103 -6.912 -11.409 -5.353 1.00 0.00 C ATOM 1593 CG PHE A 103 -7.323 -10.448 -6.431 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -7.922 -10.906 -7.593 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -7.110 -9.087 -6.282 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -8.303 -10.024 -8.588 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -7.489 -8.201 -7.273 1.00 0.00 C ATOM 1598 CZ PHE A 103 -8.085 -8.670 -8.427 1.00 0.00 C ATOM 0 H PHE A 103 -4.969 -11.344 -7.354 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.504 -12.981 -4.946 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -7.796 -11.932 -4.987 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.503 -10.847 -4.513 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -8.094 -11.964 -7.724 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.643 -8.715 -5.382 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -8.770 -10.394 -9.489 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -7.319 -7.142 -7.145 1.00 0.00 H new ATOM 0 HZ PHE A 103 -8.380 -7.979 -9.203 1.00 0.00 H new ATOM 1608 N GLY A 104 -5.777 -13.867 -7.773 1.00 0.00 N ATOM 1609 CA GLY A 104 -6.298 -14.818 -8.737 1.00 0.00 C ATOM 1610 C GLY A 104 -5.201 -15.610 -9.422 1.00 0.00 C ATOM 1611 O GLY A 104 -5.310 -15.939 -10.603 1.00 0.00 O ATOM 0 H GLY A 104 -4.815 -13.572 -7.939 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.978 -15.505 -8.234 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.881 -14.286 -9.489 1.00 0.00 H new ATOM 1615 N ILE A 105 -4.142 -15.914 -8.679 1.00 0.00 N ATOM 1616 CA ILE A 105 -3.021 -16.671 -9.223 1.00 0.00 C ATOM 1617 C ILE A 105 -2.617 -17.803 -8.285 1.00 0.00 C ATOM 1618 O ILE A 105 -2.244 -18.889 -8.730 1.00 0.00 O ATOM 1619 CB ILE A 105 -1.800 -15.766 -9.474 1.00 0.00 C ATOM 1620 CG1 ILE A 105 -1.248 -15.238 -8.148 1.00 0.00 C ATOM 1621 CG2 ILE A 105 -2.175 -14.614 -10.394 1.00 0.00 C ATOM 1622 CD1 ILE A 105 -2.205 -14.322 -7.417 1.00 0.00 C ATOM 0 H ILE A 105 -4.037 -15.648 -7.700 1.00 0.00 H new ATOM 0 HA ILE A 105 -3.353 -17.090 -10.173 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.023 -16.356 -9.960 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -1.003 -16.082 -7.504 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.318 -14.702 -8.339 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.302 -13.983 -10.562 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.526 -15.009 -11.347 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -2.966 -14.023 -9.933 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.748 -13.986 -6.486 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.431 -13.459 -8.042 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -3.126 -14.861 -7.195 1.00 0.00 H new