USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 634 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 28 CYS SG : rot 120:sc= -0.406! USER MOD Set 1.2: A 31 CYS SG : rot -46:sc= -2.12! USER MOD Set 1.3: A 60 HIS : no HE2:sc= -0.275 K(o=-4.8,f=-5.4) USER MOD Set 1.4: A 63 CYS SG : rot -175:sc= -2.01 USER MOD Set 2.1: A 16 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 20 TYR OH : rot 180:sc= 0.0444 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -58:sc= 0.124 USER MOD Single : A 34 SER OG : rot 43:sc= 0.96 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -92:sc= 1.25 USER MOD Single : A 42 MET CE :methyl -131:sc= -2.24 (180deg=-5.87!) USER MOD Single : A 45 MET CE :methyl -175:sc= 0 (180deg=-0.057) USER MOD Single : A 47 GLN : amide:sc= -1.47 X(o=-1.5,f=-0.97!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -2.9 X(o=-2.9,f=-2.6) USER MOD Single : A 59 TYR OH : rot 12:sc= -0.184 USER MOD Single : A 62 SER OG : rot 180:sc= -0.238 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.08 X(o=-1.1,f=-0.72) USER MOD Single : A 90 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.8!) USER MOD Single : A 91 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0191) USER MOD Single : A 93 LYS NZ :NH3+ 165:sc= -0.0169 (180deg=-0.172) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 78:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 164 N LEU A 15 2.269 10.432 -2.381 1.00 0.00 N ATOM 165 CA LEU A 15 0.822 10.441 -2.564 1.00 0.00 C ATOM 166 C LEU A 15 0.196 9.160 -2.020 1.00 0.00 C ATOM 167 O LEU A 15 -0.808 9.201 -1.309 1.00 0.00 O ATOM 168 CB LEU A 15 0.476 10.601 -4.045 1.00 0.00 C ATOM 169 CG LEU A 15 0.551 12.024 -4.602 1.00 0.00 C ATOM 170 CD1 LEU A 15 -0.446 12.927 -3.892 1.00 0.00 C ATOM 171 CD2 LEU A 15 1.963 12.575 -4.468 1.00 0.00 C ATOM 0 HA LEU A 15 0.416 11.287 -2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.149 9.969 -4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.534 10.222 -4.205 1.00 0.00 H new ATOM 0 HG LEU A 15 0.294 11.994 -5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.379 13.935 -4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.455 12.542 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.219 12.952 -2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.998 13.588 -4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.249 12.591 -3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.655 11.941 -5.022 1.00 0.00 H new ATOM 183 N TYR A 16 0.798 8.025 -2.357 1.00 0.00 N ATOM 184 CA TYR A 16 0.301 6.732 -1.903 1.00 0.00 C ATOM 185 C TYR A 16 1.377 5.974 -1.132 1.00 0.00 C ATOM 186 O TYR A 16 2.539 6.379 -1.106 1.00 0.00 O ATOM 187 CB TYR A 16 -0.172 5.897 -3.094 1.00 0.00 C ATOM 188 CG TYR A 16 -1.163 6.615 -3.982 1.00 0.00 C ATOM 189 CD1 TYR A 16 -0.732 7.508 -4.956 1.00 0.00 C ATOM 190 CD2 TYR A 16 -2.529 6.403 -3.846 1.00 0.00 C ATOM 191 CE1 TYR A 16 -1.634 8.167 -5.769 1.00 0.00 C ATOM 192 CE2 TYR A 16 -3.438 7.056 -4.656 1.00 0.00 C ATOM 193 CZ TYR A 16 -2.985 7.938 -5.616 1.00 0.00 C ATOM 194 OH TYR A 16 -3.887 8.592 -6.423 1.00 0.00 O ATOM 0 H TYR A 16 1.631 7.974 -2.943 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.541 6.910 -1.235 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.693 5.607 -3.690 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.627 4.978 -2.725 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.325 7.690 -5.079 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -2.887 5.716 -3.094 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -1.283 8.858 -6.521 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.497 6.877 -4.539 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.797 8.317 -6.186 1.00 0.00 H new ATOM 204 N ARG A 17 0.981 4.872 -0.504 1.00 0.00 N ATOM 205 CA ARG A 17 1.910 4.056 0.268 1.00 0.00 C ATOM 206 C ARG A 17 1.387 2.631 0.419 1.00 0.00 C ATOM 207 O ARG A 17 0.431 2.384 1.154 1.00 0.00 O ATOM 208 CB ARG A 17 2.140 4.676 1.648 1.00 0.00 C ATOM 209 CG ARG A 17 3.195 3.956 2.471 1.00 0.00 C ATOM 210 CD ARG A 17 3.433 4.651 3.803 1.00 0.00 C ATOM 211 NE ARG A 17 4.549 4.060 4.536 1.00 0.00 N ATOM 212 CZ ARG A 17 5.321 4.743 5.375 1.00 0.00 C ATOM 213 NH1 ARG A 17 5.098 6.033 5.586 1.00 0.00 N ATOM 214 NH2 ARG A 17 6.317 4.135 6.006 1.00 0.00 N ATOM 0 H ARG A 17 0.022 4.524 -0.515 1.00 0.00 H new ATOM 0 HA ARG A 17 2.857 4.021 -0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.436 5.718 1.524 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.199 4.676 2.198 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.881 2.927 2.647 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.129 3.913 1.910 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.632 5.709 3.630 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.529 4.592 4.409 1.00 0.00 H new ATOM 0 HE ARG A 17 4.747 3.069 4.397 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.332 6.504 5.104 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.692 6.555 6.230 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.491 3.143 5.847 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.909 4.660 6.650 1.00 0.00 H new ATOM 228 N VAL A 18 2.021 1.696 -0.281 1.00 0.00 N ATOM 229 CA VAL A 18 1.621 0.295 -0.225 1.00 0.00 C ATOM 230 C VAL A 18 2.575 -0.515 0.645 1.00 0.00 C ATOM 231 O VAL A 18 3.791 -0.466 0.461 1.00 0.00 O ATOM 232 CB VAL A 18 1.570 -0.331 -1.631 1.00 0.00 C ATOM 233 CG1 VAL A 18 2.950 -0.323 -2.270 1.00 0.00 C ATOM 234 CG2 VAL A 18 1.011 -1.744 -1.565 1.00 0.00 C ATOM 0 H VAL A 18 2.814 1.884 -0.894 1.00 0.00 H new ATOM 0 HA VAL A 18 0.623 0.269 0.213 1.00 0.00 H new ATOM 0 HB VAL A 18 0.905 0.269 -2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.894 -0.769 -3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.306 0.704 -2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.640 -0.898 -1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.982 -2.171 -2.567 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.647 -2.358 -0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.002 -1.717 -1.153 1.00 0.00 H new ATOM 244 N GLU A 19 2.015 -1.259 1.594 1.00 0.00 N ATOM 245 CA GLU A 19 2.818 -2.080 2.493 1.00 0.00 C ATOM 246 C GLU A 19 1.977 -3.196 3.107 1.00 0.00 C ATOM 247 O GLU A 19 0.753 -3.207 2.980 1.00 0.00 O ATOM 248 CB GLU A 19 3.426 -1.217 3.600 1.00 0.00 C ATOM 249 CG GLU A 19 2.410 -0.727 4.618 1.00 0.00 C ATOM 250 CD GLU A 19 2.916 0.452 5.426 1.00 0.00 C ATOM 251 OE1 GLU A 19 3.466 1.395 4.820 1.00 0.00 O ATOM 252 OE2 GLU A 19 2.761 0.432 6.665 1.00 0.00 O ATOM 0 H GLU A 19 1.010 -1.310 1.760 1.00 0.00 H new ATOM 0 HA GLU A 19 3.622 -2.532 1.911 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.196 -1.791 4.115 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.919 -0.356 3.148 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.493 -0.442 4.102 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.156 -1.543 5.294 1.00 0.00 H new ATOM 259 N TYR A 20 2.644 -4.133 3.772 1.00 0.00 N ATOM 260 CA TYR A 20 1.960 -5.255 4.403 1.00 0.00 C ATOM 261 C TYR A 20 1.334 -4.835 5.729 1.00 0.00 C ATOM 262 O TYR A 20 2.037 -4.482 6.676 1.00 0.00 O ATOM 263 CB TYR A 20 2.934 -6.412 4.630 1.00 0.00 C ATOM 264 CG TYR A 20 3.677 -6.832 3.381 1.00 0.00 C ATOM 265 CD1 TYR A 20 2.989 -7.197 2.230 1.00 0.00 C ATOM 266 CD2 TYR A 20 5.065 -6.864 3.352 1.00 0.00 C ATOM 267 CE1 TYR A 20 3.662 -7.583 1.087 1.00 0.00 C ATOM 268 CE2 TYR A 20 5.747 -7.246 2.213 1.00 0.00 C ATOM 269 CZ TYR A 20 5.042 -7.605 1.084 1.00 0.00 C ATOM 270 OH TYR A 20 5.717 -7.988 -0.052 1.00 0.00 O ATOM 0 H TYR A 20 3.657 -4.138 3.888 1.00 0.00 H new ATOM 0 HA TYR A 20 1.165 -5.585 3.734 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.657 -6.123 5.393 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.384 -7.268 5.020 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.909 -7.179 2.229 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.621 -6.585 4.235 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.112 -7.866 0.202 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.827 -7.263 2.207 1.00 0.00 H new ATOM 0 HH TYR A 20 6.682 -7.948 0.112 1.00 0.00 H new ATOM 280 N ALA A 21 0.007 -4.878 5.790 1.00 0.00 N ATOM 281 CA ALA A 21 -0.715 -4.505 7.000 1.00 0.00 C ATOM 282 C ALA A 21 0.070 -4.892 8.249 1.00 0.00 C ATOM 283 O ALA A 21 0.323 -6.071 8.496 1.00 0.00 O ATOM 284 CB ALA A 21 -2.090 -5.157 7.016 1.00 0.00 C ATOM 0 H ALA A 21 -0.590 -5.168 5.015 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.838 -3.422 7.001 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.618 -4.870 7.925 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.659 -4.828 6.146 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.979 -6.241 6.988 1.00 0.00 H new ATOM 290 N LYS A 22 0.454 -3.891 9.034 1.00 0.00 N ATOM 291 CA LYS A 22 1.211 -4.125 10.258 1.00 0.00 C ATOM 292 C LYS A 22 0.332 -4.770 11.325 1.00 0.00 C ATOM 293 O LYS A 22 0.740 -5.727 11.983 1.00 0.00 O ATOM 294 CB LYS A 22 1.788 -2.809 10.785 1.00 0.00 C ATOM 295 CG LYS A 22 3.083 -2.398 10.106 1.00 0.00 C ATOM 296 CD LYS A 22 3.961 -1.573 11.031 1.00 0.00 C ATOM 297 CE LYS A 22 5.112 -0.925 10.277 1.00 0.00 C ATOM 298 NZ LYS A 22 5.866 0.032 11.133 1.00 0.00 N ATOM 0 H LYS A 22 0.253 -2.909 8.844 1.00 0.00 H new ATOM 0 HA LYS A 22 2.030 -4.806 10.025 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.050 -2.018 10.650 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.963 -2.902 11.857 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.625 -3.288 9.786 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.857 -1.822 9.208 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.360 -0.801 11.512 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.356 -2.210 11.823 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.789 -1.698 9.913 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.725 -0.403 9.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.642 0.453 10.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.226 0.784 11.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.257 -0.471 11.955 1.00 0.00 H new ATOM 312 N SER A 23 -0.876 -4.241 11.491 1.00 0.00 N ATOM 313 CA SER A 23 -1.811 -4.764 12.480 1.00 0.00 C ATOM 314 C SER A 23 -3.236 -4.758 11.936 1.00 0.00 C ATOM 315 O SER A 23 -3.501 -4.221 10.861 1.00 0.00 O ATOM 316 CB SER A 23 -1.740 -3.938 13.766 1.00 0.00 C ATOM 317 OG SER A 23 -2.092 -2.587 13.524 1.00 0.00 O ATOM 0 H SER A 23 -1.230 -3.450 10.953 1.00 0.00 H new ATOM 0 HA SER A 23 -1.530 -5.793 12.702 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.410 -4.364 14.513 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.732 -3.986 14.178 1.00 0.00 H new ATOM 0 HG SER A 23 -2.041 -2.081 14.361 1.00 0.00 H new ATOM 323 N GLY A 24 -4.152 -5.361 12.688 1.00 0.00 N ATOM 324 CA GLY A 24 -5.540 -5.416 12.266 1.00 0.00 C ATOM 325 C GLY A 24 -6.378 -4.317 12.889 1.00 0.00 C ATOM 326 O GLY A 24 -7.501 -4.560 13.332 1.00 0.00 O ATOM 0 H GLY A 24 -3.958 -5.812 13.582 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.590 -5.336 11.180 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.960 -6.385 12.534 1.00 0.00 H new ATOM 330 N ARG A 25 -5.832 -3.106 12.923 1.00 0.00 N ATOM 331 CA ARG A 25 -6.537 -1.967 13.499 1.00 0.00 C ATOM 332 C ARG A 25 -7.085 -1.056 12.404 1.00 0.00 C ATOM 333 O ARG A 25 -8.293 -0.840 12.310 1.00 0.00 O ATOM 334 CB ARG A 25 -5.604 -1.174 14.417 1.00 0.00 C ATOM 335 CG ARG A 25 -5.075 -1.981 15.591 1.00 0.00 C ATOM 336 CD ARG A 25 -6.006 -1.896 16.790 1.00 0.00 C ATOM 337 NE ARG A 25 -5.307 -2.155 18.046 1.00 0.00 N ATOM 338 CZ ARG A 25 -5.721 -1.704 19.225 1.00 0.00 C ATOM 339 NH1 ARG A 25 -6.825 -0.975 19.308 1.00 0.00 N ATOM 340 NH2 ARG A 25 -5.030 -1.982 20.323 1.00 0.00 N ATOM 0 H ARG A 25 -4.904 -2.888 12.559 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.374 -2.348 14.084 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.762 -0.804 13.833 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.137 -0.302 14.797 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.957 -3.023 15.294 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.087 -1.615 15.870 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.461 -0.906 16.826 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.816 -2.615 16.671 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.454 -2.713 18.016 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.358 -0.759 18.466 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.141 -0.630 20.214 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.180 -2.543 20.262 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.349 -1.635 21.228 1.00 0.00 H new ATOM 354 N ALA A 26 -6.189 -0.526 11.579 1.00 0.00 N ATOM 355 CA ALA A 26 -6.583 0.360 10.490 1.00 0.00 C ATOM 356 C ALA A 26 -7.873 -0.119 9.833 1.00 0.00 C ATOM 357 O ALA A 26 -7.978 -1.273 9.419 1.00 0.00 O ATOM 358 CB ALA A 26 -5.468 0.457 9.460 1.00 0.00 C ATOM 0 H ALA A 26 -5.185 -0.694 11.644 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.765 1.351 10.907 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.775 1.122 8.653 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.569 0.852 9.933 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.259 -0.533 9.055 1.00 0.00 H new ATOM 364 N SER A 27 -8.852 0.775 9.741 1.00 0.00 N ATOM 365 CA SER A 27 -10.137 0.443 9.138 1.00 0.00 C ATOM 366 C SER A 27 -10.170 0.853 7.669 1.00 0.00 C ATOM 367 O SER A 27 -9.326 1.621 7.208 1.00 0.00 O ATOM 368 CB SER A 27 -11.274 1.130 9.897 1.00 0.00 C ATOM 369 OG SER A 27 -11.076 2.533 9.951 1.00 0.00 O ATOM 0 H SER A 27 -8.780 1.735 10.077 1.00 0.00 H new ATOM 0 HA SER A 27 -10.270 -0.637 9.199 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.224 0.912 9.410 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.335 0.729 10.909 1.00 0.00 H new ATOM 0 HG SER A 27 -11.817 2.949 10.440 1.00 0.00 H new ATOM 375 N CYS A 28 -11.152 0.334 6.939 1.00 0.00 N ATOM 376 CA CYS A 28 -11.297 0.644 5.522 1.00 0.00 C ATOM 377 C CYS A 28 -12.370 1.707 5.305 1.00 0.00 C ATOM 378 O CYS A 28 -13.451 1.643 5.890 1.00 0.00 O ATOM 379 CB CYS A 28 -11.650 -0.620 4.735 1.00 0.00 C ATOM 380 SG CYS A 28 -11.951 -0.333 2.962 1.00 0.00 S ATOM 0 H CYS A 28 -11.859 -0.303 7.306 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.345 1.034 5.162 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -10.839 -1.340 4.843 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.539 -1.072 5.175 1.00 0.00 H new ATOM 0 HG CYS A 28 -11.102 -1.023 2.260 1.00 0.00 H new ATOM 385 N LYS A 29 -12.063 2.685 4.459 1.00 0.00 N ATOM 386 CA LYS A 29 -12.999 3.762 4.162 1.00 0.00 C ATOM 387 C LYS A 29 -13.729 3.502 2.848 1.00 0.00 C ATOM 388 O LYS A 29 -14.071 4.434 2.120 1.00 0.00 O ATOM 389 CB LYS A 29 -12.262 5.102 4.091 1.00 0.00 C ATOM 390 CG LYS A 29 -11.523 5.458 5.369 1.00 0.00 C ATOM 391 CD LYS A 29 -12.474 5.963 6.441 1.00 0.00 C ATOM 392 CE LYS A 29 -12.791 7.439 6.255 1.00 0.00 C ATOM 393 NZ LYS A 29 -13.852 7.901 7.193 1.00 0.00 N ATOM 0 H LYS A 29 -11.172 2.753 3.967 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.735 3.801 4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.550 5.072 3.266 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.980 5.890 3.865 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.990 4.582 5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.774 6.221 5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.398 5.385 6.411 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.031 5.806 7.425 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.887 8.027 6.411 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.112 7.615 5.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.039 8.912 7.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.723 7.357 7.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.536 7.757 8.173 1.00 0.00 H new ATOM 407 N LYS A 30 -13.967 2.229 2.551 1.00 0.00 N ATOM 408 CA LYS A 30 -14.659 1.845 1.327 1.00 0.00 C ATOM 409 C LYS A 30 -15.756 0.826 1.619 1.00 0.00 C ATOM 410 O LYS A 30 -16.905 1.000 1.210 1.00 0.00 O ATOM 411 CB LYS A 30 -13.667 1.266 0.316 1.00 0.00 C ATOM 412 CG LYS A 30 -14.331 0.652 -0.905 1.00 0.00 C ATOM 413 CD LYS A 30 -14.605 1.695 -1.975 1.00 0.00 C ATOM 414 CE LYS A 30 -15.746 1.272 -2.887 1.00 0.00 C ATOM 415 NZ LYS A 30 -16.039 2.301 -3.923 1.00 0.00 N ATOM 0 H LYS A 30 -13.690 1.445 3.142 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.120 2.738 0.904 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.989 2.056 -0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.060 0.507 0.809 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.691 -0.130 -1.314 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.267 0.177 -0.611 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.849 2.647 -1.503 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.704 1.855 -2.568 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.492 0.330 -3.373 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.640 1.093 -2.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.822 1.975 -4.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.306 3.193 -3.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.194 2.454 -4.509 1.00 0.00 H new ATOM 429 N CYS A 31 -15.396 -0.238 2.329 1.00 0.00 N ATOM 430 CA CYS A 31 -16.349 -1.285 2.677 1.00 0.00 C ATOM 431 C CYS A 31 -16.566 -1.343 4.187 1.00 0.00 C ATOM 432 O CYS A 31 -17.107 -2.317 4.709 1.00 0.00 O ATOM 433 CB CYS A 31 -15.857 -2.641 2.169 1.00 0.00 C ATOM 434 SG CYS A 31 -14.313 -3.213 2.950 1.00 0.00 S ATOM 0 H CYS A 31 -14.450 -0.398 2.675 1.00 0.00 H new ATOM 0 HA CYS A 31 -17.300 -1.049 2.200 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -16.635 -3.385 2.340 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -15.705 -2.580 1.091 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.453 -2.239 2.976 1.00 0.00 H new ATOM 439 N SER A 32 -16.139 -0.293 4.881 1.00 0.00 N ATOM 440 CA SER A 32 -16.283 -0.226 6.331 1.00 0.00 C ATOM 441 C SER A 32 -15.934 -1.565 6.974 1.00 0.00 C ATOM 442 O SER A 32 -16.732 -2.135 7.717 1.00 0.00 O ATOM 443 CB SER A 32 -17.711 0.175 6.705 1.00 0.00 C ATOM 444 OG SER A 32 -17.812 0.471 8.087 1.00 0.00 O ATOM 0 H SER A 32 -15.691 0.522 4.463 1.00 0.00 H new ATOM 0 HA SER A 32 -15.591 0.529 6.705 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.013 1.044 6.121 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.397 -0.633 6.452 1.00 0.00 H new ATOM 0 HG SER A 32 -17.532 -0.309 8.610 1.00 0.00 H new ATOM 450 N GLU A 33 -14.735 -2.060 6.682 1.00 0.00 N ATOM 451 CA GLU A 33 -14.280 -3.332 7.231 1.00 0.00 C ATOM 452 C GLU A 33 -12.965 -3.160 7.986 1.00 0.00 C ATOM 453 O GLU A 33 -12.352 -2.093 7.951 1.00 0.00 O ATOM 454 CB GLU A 33 -14.108 -4.363 6.113 1.00 0.00 C ATOM 455 CG GLU A 33 -15.418 -4.963 5.632 1.00 0.00 C ATOM 456 CD GLU A 33 -15.243 -6.348 5.040 1.00 0.00 C ATOM 457 OE1 GLU A 33 -14.817 -6.444 3.870 1.00 0.00 O ATOM 458 OE2 GLU A 33 -15.531 -7.336 5.747 1.00 0.00 O ATOM 0 H GLU A 33 -14.062 -1.600 6.069 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.036 -3.688 7.931 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.603 -3.892 5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.459 -5.164 6.466 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.118 -5.014 6.466 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.861 -4.306 4.884 1.00 0.00 H new ATOM 465 N SER A 34 -12.539 -4.218 8.668 1.00 0.00 N ATOM 466 CA SER A 34 -11.299 -4.184 9.435 1.00 0.00 C ATOM 467 C SER A 34 -10.157 -4.824 8.652 1.00 0.00 C ATOM 468 O SER A 34 -10.097 -6.045 8.508 1.00 0.00 O ATOM 469 CB SER A 34 -11.482 -4.904 10.772 1.00 0.00 C ATOM 470 OG SER A 34 -11.770 -6.278 10.576 1.00 0.00 O ATOM 0 H SER A 34 -13.034 -5.109 8.705 1.00 0.00 H new ATOM 0 HA SER A 34 -11.046 -3.141 9.624 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.577 -4.801 11.371 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.291 -4.436 11.333 1.00 0.00 H new ATOM 0 HG SER A 34 -11.193 -6.636 9.869 1.00 0.00 H new ATOM 476 N ILE A 35 -9.254 -3.990 8.147 1.00 0.00 N ATOM 477 CA ILE A 35 -8.114 -4.474 7.379 1.00 0.00 C ATOM 478 C ILE A 35 -7.367 -5.569 8.134 1.00 0.00 C ATOM 479 O ILE A 35 -6.857 -5.361 9.235 1.00 0.00 O ATOM 480 CB ILE A 35 -7.133 -3.333 7.049 1.00 0.00 C ATOM 481 CG1 ILE A 35 -7.815 -2.283 6.169 1.00 0.00 C ATOM 482 CG2 ILE A 35 -5.893 -3.884 6.361 1.00 0.00 C ATOM 483 CD1 ILE A 35 -7.194 -0.908 6.278 1.00 0.00 C ATOM 0 H ILE A 35 -9.290 -2.976 8.256 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.510 -4.883 6.449 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.827 -2.856 7.980 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.775 -2.610 5.130 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.868 -2.220 6.443 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.209 -3.066 6.134 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.399 -4.598 7.019 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.182 -4.383 5.436 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.728 -0.215 5.628 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.258 -0.560 7.309 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.148 -0.956 5.976 1.00 0.00 H new ATOM 495 N PRO A 36 -7.298 -6.763 7.529 1.00 0.00 N ATOM 496 CA PRO A 36 -6.613 -7.915 8.124 1.00 0.00 C ATOM 497 C PRO A 36 -5.100 -7.735 8.158 1.00 0.00 C ATOM 498 O PRO A 36 -4.518 -7.108 7.272 1.00 0.00 O ATOM 499 CB PRO A 36 -6.994 -9.072 7.198 1.00 0.00 C ATOM 500 CG PRO A 36 -7.294 -8.427 5.889 1.00 0.00 C ATOM 501 CD PRO A 36 -7.883 -7.082 6.215 1.00 0.00 C ATOM 0 HA PRO A 36 -6.904 -8.070 9.163 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.180 -9.791 7.108 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.859 -9.616 7.579 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.390 -8.322 5.289 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.993 -9.029 5.309 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.619 -6.336 5.466 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.971 -7.120 6.258 1.00 0.00 H new ATOM 509 N LYS A 37 -4.465 -8.289 9.186 1.00 0.00 N ATOM 510 CA LYS A 37 -3.018 -8.193 9.335 1.00 0.00 C ATOM 511 C LYS A 37 -2.305 -9.048 8.292 1.00 0.00 C ATOM 512 O LYS A 37 -2.828 -10.073 7.854 1.00 0.00 O ATOM 513 CB LYS A 37 -2.599 -8.628 10.741 1.00 0.00 C ATOM 514 CG LYS A 37 -1.105 -8.523 10.990 1.00 0.00 C ATOM 515 CD LYS A 37 -0.790 -8.473 12.476 1.00 0.00 C ATOM 516 CE LYS A 37 -0.979 -9.833 13.131 1.00 0.00 C ATOM 517 NZ LYS A 37 -0.662 -9.796 14.586 1.00 0.00 N ATOM 0 H LYS A 37 -4.931 -8.810 9.929 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.731 -7.153 9.183 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.125 -8.016 11.473 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.914 -9.659 10.902 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.599 -9.376 10.538 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.716 -7.628 10.504 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.237 -8.138 12.620 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.435 -7.741 12.962 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.008 -10.163 12.992 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.340 -10.566 12.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.803 -10.741 14.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.328 -9.505 14.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.289 -9.116 15.061 1.00 0.00 H new ATOM 531 N ASP A 38 -1.110 -8.622 7.901 1.00 0.00 N ATOM 532 CA ASP A 38 -0.324 -9.350 6.912 1.00 0.00 C ATOM 533 C ASP A 38 -1.049 -9.399 5.571 1.00 0.00 C ATOM 534 O ASP A 38 -1.089 -10.439 4.913 1.00 0.00 O ATOM 535 CB ASP A 38 -0.037 -10.770 7.403 1.00 0.00 C ATOM 536 CG ASP A 38 1.218 -11.354 6.785 1.00 0.00 C ATOM 537 OD1 ASP A 38 2.320 -11.067 7.298 1.00 0.00 O ATOM 538 OD2 ASP A 38 1.099 -12.097 5.788 1.00 0.00 O ATOM 0 H ASP A 38 -0.664 -7.775 8.254 1.00 0.00 H new ATOM 0 HA ASP A 38 0.620 -8.823 6.775 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.066 -10.762 8.488 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.886 -11.411 7.168 1.00 0.00 H new ATOM 543 N SER A 39 -1.622 -8.268 5.172 1.00 0.00 N ATOM 544 CA SER A 39 -2.350 -8.183 3.911 1.00 0.00 C ATOM 545 C SER A 39 -1.927 -6.948 3.122 1.00 0.00 C ATOM 546 O SER A 39 -1.679 -5.886 3.693 1.00 0.00 O ATOM 547 CB SER A 39 -3.858 -8.144 4.170 1.00 0.00 C ATOM 548 OG SER A 39 -4.263 -6.867 4.633 1.00 0.00 O ATOM 0 H SER A 39 -1.596 -7.398 5.704 1.00 0.00 H new ATOM 0 HA SER A 39 -2.112 -9.069 3.322 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.394 -8.389 3.253 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.123 -8.902 4.907 1.00 0.00 H new ATOM 0 HG SER A 39 -4.252 -6.856 5.613 1.00 0.00 H new ATOM 554 N LEU A 40 -1.845 -7.096 1.804 1.00 0.00 N ATOM 555 CA LEU A 40 -1.451 -5.994 0.933 1.00 0.00 C ATOM 556 C LEU A 40 -2.522 -4.907 0.912 1.00 0.00 C ATOM 557 O LEU A 40 -3.646 -5.137 0.466 1.00 0.00 O ATOM 558 CB LEU A 40 -1.199 -6.504 -0.486 1.00 0.00 C ATOM 559 CG LEU A 40 -0.420 -5.566 -1.409 1.00 0.00 C ATOM 560 CD1 LEU A 40 1.021 -5.432 -0.941 1.00 0.00 C ATOM 561 CD2 LEU A 40 -0.472 -6.065 -2.845 1.00 0.00 C ATOM 0 H LEU A 40 -2.046 -7.968 1.315 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.530 -5.564 1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.658 -7.448 -0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.162 -6.720 -0.949 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.886 -4.581 -1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.560 -4.761 -1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.039 -5.027 0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.499 -6.412 -0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.088 -5.385 -3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.032 -7.061 -2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.509 -6.107 -3.178 1.00 0.00 H new ATOM 573 N ARG A 41 -2.164 -3.722 1.396 1.00 0.00 N ATOM 574 CA ARG A 41 -3.093 -2.599 1.432 1.00 0.00 C ATOM 575 C ARG A 41 -2.436 -1.332 0.895 1.00 0.00 C ATOM 576 O ARG A 41 -1.237 -1.313 0.616 1.00 0.00 O ATOM 577 CB ARG A 41 -3.587 -2.364 2.861 1.00 0.00 C ATOM 578 CG ARG A 41 -2.480 -1.994 3.835 1.00 0.00 C ATOM 579 CD ARG A 41 -2.995 -1.925 5.264 1.00 0.00 C ATOM 580 NE ARG A 41 -2.196 -1.025 6.091 1.00 0.00 N ATOM 581 CZ ARG A 41 -2.355 -0.898 7.403 1.00 0.00 C ATOM 582 NH1 ARG A 41 -3.278 -1.610 8.035 1.00 0.00 N ATOM 583 NH2 ARG A 41 -1.589 -0.057 8.087 1.00 0.00 N ATOM 0 H ARG A 41 -1.237 -3.515 1.769 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.944 -2.844 0.796 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.333 -1.569 2.853 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.086 -3.265 3.217 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.677 -2.729 3.771 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.053 -1.031 3.554 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.032 -1.589 5.260 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.986 -2.923 5.701 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.476 -0.463 5.636 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.868 -2.258 7.513 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.398 -1.510 9.043 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.878 0.492 7.605 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.712 0.040 9.095 1.00 0.00 H new ATOM 597 N MET A 42 -3.229 -0.275 0.751 1.00 0.00 N ATOM 598 CA MET A 42 -2.724 0.996 0.247 1.00 0.00 C ATOM 599 C MET A 42 -3.062 2.134 1.205 1.00 0.00 C ATOM 600 O MET A 42 -3.853 1.963 2.132 1.00 0.00 O ATOM 601 CB MET A 42 -3.307 1.289 -1.137 1.00 0.00 C ATOM 602 CG MET A 42 -2.565 0.596 -2.268 1.00 0.00 C ATOM 603 SD MET A 42 -1.222 1.597 -2.934 1.00 0.00 S ATOM 604 CE MET A 42 -1.413 1.296 -4.689 1.00 0.00 C ATOM 0 H MET A 42 -4.224 -0.274 0.976 1.00 0.00 H new ATOM 0 HA MET A 42 -1.639 0.921 0.168 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.352 0.979 -1.155 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.291 2.365 -1.309 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.163 -0.351 -1.907 1.00 0.00 H new ATOM 0 HG3 MET A 42 -3.268 0.360 -3.067 1.00 0.00 H new ATOM 0 HE1 MET A 42 -0.448 1.030 -5.120 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.117 0.478 -4.843 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.791 2.196 -5.174 1.00 0.00 H new ATOM 614 N ALA A 43 -2.457 3.295 0.976 1.00 0.00 N ATOM 615 CA ALA A 43 -2.695 4.460 1.818 1.00 0.00 C ATOM 616 C ALA A 43 -2.794 5.731 0.981 1.00 0.00 C ATOM 617 O ALA A 43 -1.813 6.166 0.377 1.00 0.00 O ATOM 618 CB ALA A 43 -1.593 4.595 2.857 1.00 0.00 C ATOM 0 H ALA A 43 -1.798 3.453 0.214 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.646 4.318 2.331 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.784 5.470 3.479 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.572 3.703 3.483 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.632 4.709 2.355 1.00 0.00 H new ATOM 624 N ILE A 44 -3.984 6.322 0.949 1.00 0.00 N ATOM 625 CA ILE A 44 -4.210 7.544 0.186 1.00 0.00 C ATOM 626 C ILE A 44 -4.123 8.775 1.082 1.00 0.00 C ATOM 627 O ILE A 44 -4.747 8.830 2.141 1.00 0.00 O ATOM 628 CB ILE A 44 -5.582 7.526 -0.512 1.00 0.00 C ATOM 629 CG1 ILE A 44 -5.676 6.337 -1.470 1.00 0.00 C ATOM 630 CG2 ILE A 44 -5.815 8.833 -1.255 1.00 0.00 C ATOM 631 CD1 ILE A 44 -7.097 5.917 -1.775 1.00 0.00 C ATOM 0 H ILE A 44 -4.806 5.975 1.442 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.428 7.593 -0.571 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.358 7.419 0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.173 6.592 -2.403 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.140 5.491 -1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.789 8.805 -1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.787 9.663 -0.549 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.036 8.969 -2.006 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.087 5.069 -2.460 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.598 5.630 -0.850 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.631 6.748 -2.235 1.00 0.00 H new ATOM 643 N MET A 45 -3.346 9.762 0.648 1.00 0.00 N ATOM 644 CA MET A 45 -3.180 10.995 1.409 1.00 0.00 C ATOM 645 C MET A 45 -4.196 12.045 0.970 1.00 0.00 C ATOM 646 O MET A 45 -4.017 12.707 -0.053 1.00 0.00 O ATOM 647 CB MET A 45 -1.761 11.538 1.238 1.00 0.00 C ATOM 648 CG MET A 45 -0.678 10.535 1.600 1.00 0.00 C ATOM 649 SD MET A 45 -0.981 9.727 3.183 1.00 0.00 S ATOM 650 CE MET A 45 -0.833 11.115 4.305 1.00 0.00 C ATOM 0 H MET A 45 -2.822 9.732 -0.226 1.00 0.00 H new ATOM 0 HA MET A 45 -3.349 10.769 2.462 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.623 11.851 0.203 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.644 12.427 1.858 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.612 9.779 0.817 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.286 11.043 1.634 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.907 10.761 5.333 1.00 0.00 H new ATOM 0 HE2 MET A 45 0.131 11.601 4.157 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.633 11.828 4.109 1.00 0.00 H new ATOM 660 N VAL A 46 -5.262 12.193 1.750 1.00 0.00 N ATOM 661 CA VAL A 46 -6.305 13.164 1.442 1.00 0.00 C ATOM 662 C VAL A 46 -6.473 14.169 2.576 1.00 0.00 C ATOM 663 O VAL A 46 -5.940 13.981 3.669 1.00 0.00 O ATOM 664 CB VAL A 46 -7.656 12.472 1.180 1.00 0.00 C ATOM 665 CG1 VAL A 46 -7.576 11.596 -0.061 1.00 0.00 C ATOM 666 CG2 VAL A 46 -8.080 11.656 2.392 1.00 0.00 C ATOM 0 H VAL A 46 -5.426 11.653 2.600 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.992 13.689 0.539 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.410 13.240 1.005 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.540 11.115 -0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.321 12.211 -0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.810 10.833 0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.036 11.174 2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.327 10.896 2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.181 12.313 3.256 1.00 0.00 H new ATOM 676 N GLN A 47 -7.218 15.237 2.308 1.00 0.00 N ATOM 677 CA GLN A 47 -7.456 16.272 3.307 1.00 0.00 C ATOM 678 C GLN A 47 -8.795 16.058 4.005 1.00 0.00 C ATOM 679 O GLN A 47 -9.838 15.973 3.356 1.00 0.00 O ATOM 680 CB GLN A 47 -7.422 17.656 2.656 1.00 0.00 C ATOM 681 CG GLN A 47 -6.975 18.761 3.599 1.00 0.00 C ATOM 682 CD GLN A 47 -8.013 19.081 4.657 1.00 0.00 C ATOM 683 OE1 GLN A 47 -9.189 19.275 4.350 1.00 0.00 O ATOM 684 NE2 GLN A 47 -7.581 19.136 5.911 1.00 0.00 N ATOM 0 H GLN A 47 -7.667 15.408 1.408 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.664 16.210 4.054 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.750 17.628 1.798 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.415 17.894 2.276 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.046 18.465 4.085 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -6.760 19.661 3.022 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.597 18.968 6.119 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.233 19.346 6.666 1.00 0.00 H new ATOM 693 N SER A 48 -8.759 15.971 5.331 1.00 0.00 N ATOM 694 CA SER A 48 -9.969 15.763 6.116 1.00 0.00 C ATOM 695 C SER A 48 -10.753 17.064 6.263 1.00 0.00 C ATOM 696 O SER A 48 -10.186 18.151 6.375 1.00 0.00 O ATOM 697 CB SER A 48 -9.616 15.209 7.498 1.00 0.00 C ATOM 698 OG SER A 48 -10.739 15.239 8.362 1.00 0.00 O ATOM 0 H SER A 48 -7.905 16.041 5.884 1.00 0.00 H new ATOM 0 HA SER A 48 -10.593 15.041 5.590 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.255 14.185 7.401 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.804 15.794 7.931 1.00 0.00 H new ATOM 0 HG SER A 48 -10.488 14.878 9.238 1.00 0.00 H new ATOM 774 N LYS A 54 -3.666 16.554 6.194 1.00 0.00 N ATOM 775 CA LYS A 54 -3.859 15.328 5.429 1.00 0.00 C ATOM 776 C LYS A 54 -3.884 14.112 6.349 1.00 0.00 C ATOM 777 O LYS A 54 -3.084 14.007 7.279 1.00 0.00 O ATOM 778 CB LYS A 54 -2.749 15.172 4.388 1.00 0.00 C ATOM 779 CG LYS A 54 -3.058 15.845 3.062 1.00 0.00 C ATOM 780 CD LYS A 54 -2.324 15.175 1.912 1.00 0.00 C ATOM 781 CE LYS A 54 -2.176 16.114 0.724 1.00 0.00 C ATOM 782 NZ LYS A 54 -1.727 15.393 -0.499 1.00 0.00 N ATOM 0 HA LYS A 54 -4.820 15.395 4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.825 15.588 4.790 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.572 14.111 4.214 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.132 15.812 2.878 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.775 16.896 3.112 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.338 14.852 2.247 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.866 14.280 1.605 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.129 16.604 0.527 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.459 16.898 0.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.638 16.067 -1.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.805 14.946 -0.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.424 14.662 -0.746 1.00 0.00 H new ATOM 796 N VAL A 55 -4.806 13.192 6.082 1.00 0.00 N ATOM 797 CA VAL A 55 -4.933 11.981 6.884 1.00 0.00 C ATOM 798 C VAL A 55 -4.757 10.733 6.027 1.00 0.00 C ATOM 799 O VAL A 55 -5.270 10.638 4.912 1.00 0.00 O ATOM 800 CB VAL A 55 -6.300 11.916 7.591 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.437 13.052 8.594 1.00 0.00 C ATOM 802 CG2 VAL A 55 -7.429 11.956 6.571 1.00 0.00 C ATOM 0 H VAL A 55 -5.476 13.263 5.316 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.145 12.016 7.636 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.364 10.973 8.135 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.409 12.990 9.084 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.648 12.974 9.342 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.352 14.007 8.076 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.388 11.909 7.087 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.370 12.882 5.999 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.339 11.106 5.895 1.00 0.00 H new ATOM 812 N PRO A 56 -4.014 9.751 6.558 1.00 0.00 N ATOM 813 CA PRO A 56 -3.753 8.489 5.858 1.00 0.00 C ATOM 814 C PRO A 56 -5.001 7.619 5.747 1.00 0.00 C ATOM 815 O PRO A 56 -5.568 7.198 6.756 1.00 0.00 O ATOM 816 CB PRO A 56 -2.702 7.807 6.737 1.00 0.00 C ATOM 817 CG PRO A 56 -2.916 8.378 8.096 1.00 0.00 C ATOM 818 CD PRO A 56 -3.372 9.795 7.882 1.00 0.00 C ATOM 0 HA PRO A 56 -3.428 8.652 4.830 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.829 6.724 6.738 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.693 8.009 6.377 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.663 7.806 8.646 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.997 8.348 8.681 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.070 10.114 8.656 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.535 10.493 7.900 1.00 0.00 H new ATOM 826 N HIS A 57 -5.424 7.353 4.516 1.00 0.00 N ATOM 827 CA HIS A 57 -6.605 6.532 4.273 1.00 0.00 C ATOM 828 C HIS A 57 -6.209 5.145 3.776 1.00 0.00 C ATOM 829 O HIS A 57 -5.702 4.995 2.665 1.00 0.00 O ATOM 830 CB HIS A 57 -7.522 7.209 3.254 1.00 0.00 C ATOM 831 CG HIS A 57 -8.391 8.276 3.846 1.00 0.00 C ATOM 832 ND1 HIS A 57 -9.459 8.834 3.177 1.00 0.00 N ATOM 833 CD2 HIS A 57 -8.345 8.886 5.054 1.00 0.00 C ATOM 834 CE1 HIS A 57 -10.032 9.742 3.946 1.00 0.00 C ATOM 835 NE2 HIS A 57 -9.376 9.793 5.091 1.00 0.00 N ATOM 0 H HIS A 57 -4.967 7.694 3.670 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.141 6.422 5.216 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.913 7.646 2.463 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.155 6.453 2.789 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -7.631 8.695 5.841 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.891 10.341 3.683 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -9.599 10.406 5.875 1.00 0.00 H new ATOM 843 N TRP A 58 -6.444 4.135 4.607 1.00 0.00 N ATOM 844 CA TRP A 58 -6.111 2.761 4.252 1.00 0.00 C ATOM 845 C TRP A 58 -7.250 2.107 3.477 1.00 0.00 C ATOM 846 O TRP A 58 -8.402 2.128 3.912 1.00 0.00 O ATOM 847 CB TRP A 58 -5.802 1.948 5.510 1.00 0.00 C ATOM 848 CG TRP A 58 -4.667 2.506 6.314 1.00 0.00 C ATOM 849 CD1 TRP A 58 -4.756 3.177 7.501 1.00 0.00 C ATOM 850 CD2 TRP A 58 -3.274 2.445 5.989 1.00 0.00 C ATOM 851 NE1 TRP A 58 -3.502 3.535 7.933 1.00 0.00 N ATOM 852 CE2 TRP A 58 -2.576 3.097 7.023 1.00 0.00 C ATOM 853 CE3 TRP A 58 -2.549 1.900 4.926 1.00 0.00 C ATOM 854 CZ2 TRP A 58 -1.189 3.219 7.023 1.00 0.00 C ATOM 855 CZ3 TRP A 58 -1.173 2.022 4.926 1.00 0.00 C ATOM 856 CH2 TRP A 58 -0.504 2.677 5.969 1.00 0.00 C ATOM 0 H TRP A 58 -6.864 4.242 5.530 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.227 2.781 3.614 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -6.694 1.906 6.135 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -5.565 0.924 5.223 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -5.676 3.394 8.023 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.294 4.044 8.792 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -3.056 1.392 4.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.672 3.723 7.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.603 1.606 4.109 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.573 2.756 5.941 1.00 0.00 H new ATOM 867 N TYR A 59 -6.922 1.529 2.327 1.00 0.00 N ATOM 868 CA TYR A 59 -7.919 0.871 1.491 1.00 0.00 C ATOM 869 C TYR A 59 -7.456 -0.525 1.086 1.00 0.00 C ATOM 870 O TYR A 59 -6.269 -0.755 0.853 1.00 0.00 O ATOM 871 CB TYR A 59 -8.200 1.709 0.242 1.00 0.00 C ATOM 872 CG TYR A 59 -9.079 2.911 0.505 1.00 0.00 C ATOM 873 CD1 TYR A 59 -10.456 2.775 0.633 1.00 0.00 C ATOM 874 CD2 TYR A 59 -8.532 4.183 0.624 1.00 0.00 C ATOM 875 CE1 TYR A 59 -11.262 3.871 0.872 1.00 0.00 C ATOM 876 CE2 TYR A 59 -9.331 5.284 0.865 1.00 0.00 C ATOM 877 CZ TYR A 59 -10.695 5.123 0.988 1.00 0.00 C ATOM 878 OH TYR A 59 -11.495 6.216 1.227 1.00 0.00 O ATOM 0 H TYR A 59 -5.974 1.503 1.952 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.837 0.775 2.071 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.253 2.047 -0.179 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.676 1.078 -0.509 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.903 1.796 0.544 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.464 4.313 0.526 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.331 3.748 0.968 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.890 6.265 0.957 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.393 5.915 1.479 1.00 0.00 H new ATOM 888 N HIS A 60 -8.402 -1.455 1.005 1.00 0.00 N ATOM 889 CA HIS A 60 -8.093 -2.830 0.627 1.00 0.00 C ATOM 890 C HIS A 60 -7.506 -2.888 -0.780 1.00 0.00 C ATOM 891 O HIS A 60 -7.890 -2.112 -1.656 1.00 0.00 O ATOM 892 CB HIS A 60 -9.350 -3.697 0.705 1.00 0.00 C ATOM 893 CG HIS A 60 -9.723 -4.088 2.101 1.00 0.00 C ATOM 894 ND1 HIS A 60 -10.867 -3.642 2.728 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.096 -4.890 2.993 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.928 -4.151 3.945 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.865 -4.913 4.131 1.00 0.00 N ATOM 0 H HIS A 60 -9.389 -1.282 1.196 1.00 0.00 H new ATOM 0 HA HIS A 60 -7.351 -3.215 1.327 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.182 -3.157 0.253 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.196 -4.599 0.113 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -11.559 -3.016 2.316 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.164 -5.414 2.839 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.713 -3.974 4.665 1.00 0.00 H new ATOM 905 N PHE A 61 -6.574 -3.811 -0.989 1.00 0.00 N ATOM 906 CA PHE A 61 -5.932 -3.969 -2.289 1.00 0.00 C ATOM 907 C PHE A 61 -6.935 -3.757 -3.420 1.00 0.00 C ATOM 908 O PHE A 61 -6.588 -3.245 -4.484 1.00 0.00 O ATOM 909 CB PHE A 61 -5.302 -5.358 -2.405 1.00 0.00 C ATOM 910 CG PHE A 61 -4.579 -5.582 -3.702 1.00 0.00 C ATOM 911 CD1 PHE A 61 -3.524 -4.764 -4.073 1.00 0.00 C ATOM 912 CD2 PHE A 61 -4.955 -6.611 -4.552 1.00 0.00 C ATOM 913 CE1 PHE A 61 -2.856 -4.967 -5.266 1.00 0.00 C ATOM 914 CE2 PHE A 61 -4.290 -6.819 -5.745 1.00 0.00 C ATOM 915 CZ PHE A 61 -3.240 -5.996 -6.104 1.00 0.00 C ATOM 0 H PHE A 61 -6.246 -4.461 -0.275 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.150 -3.215 -2.374 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.604 -5.502 -1.580 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.082 -6.112 -2.298 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.220 -3.958 -3.422 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.776 -7.257 -4.279 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.035 -4.322 -5.543 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.591 -7.625 -6.397 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.721 -6.157 -7.037 1.00 0.00 H new ATOM 925 N SER A 62 -8.180 -4.155 -3.180 1.00 0.00 N ATOM 926 CA SER A 62 -9.234 -4.013 -4.179 1.00 0.00 C ATOM 927 C SER A 62 -9.991 -2.703 -3.988 1.00 0.00 C ATOM 928 O SER A 62 -10.152 -1.922 -4.926 1.00 0.00 O ATOM 929 CB SER A 62 -10.205 -5.193 -4.098 1.00 0.00 C ATOM 930 OG SER A 62 -10.890 -5.204 -2.858 1.00 0.00 O ATOM 0 H SER A 62 -8.484 -4.578 -2.303 1.00 0.00 H new ATOM 0 HA SER A 62 -8.768 -4.002 -5.164 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.925 -5.133 -4.914 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.658 -6.128 -4.224 1.00 0.00 H new ATOM 0 HG SER A 62 -11.506 -5.966 -2.831 1.00 0.00 H new ATOM 936 N CYS A 63 -10.454 -2.467 -2.765 1.00 0.00 N ATOM 937 CA CYS A 63 -11.195 -1.252 -2.448 1.00 0.00 C ATOM 938 C CYS A 63 -10.486 -0.022 -3.006 1.00 0.00 C ATOM 939 O CYS A 63 -11.114 0.851 -3.606 1.00 0.00 O ATOM 940 CB CYS A 63 -11.364 -1.114 -0.933 1.00 0.00 C ATOM 941 SG CYS A 63 -12.575 -2.267 -0.212 1.00 0.00 S ATOM 0 H CYS A 63 -10.329 -3.102 -1.977 1.00 0.00 H new ATOM 0 HA CYS A 63 -12.179 -1.324 -2.912 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.398 -1.273 -0.454 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.669 -0.093 -0.704 1.00 0.00 H new ATOM 0 HG CYS A 63 -12.725 -2.004 1.052 1.00 0.00 H new ATOM 946 N PHE A 64 -9.174 0.041 -2.804 1.00 0.00 N ATOM 947 CA PHE A 64 -8.379 1.164 -3.287 1.00 0.00 C ATOM 948 C PHE A 64 -8.630 1.411 -4.772 1.00 0.00 C ATOM 949 O PHE A 64 -8.600 2.550 -5.236 1.00 0.00 O ATOM 950 CB PHE A 64 -6.890 0.904 -3.046 1.00 0.00 C ATOM 951 CG PHE A 64 -5.989 1.867 -3.765 1.00 0.00 C ATOM 952 CD1 PHE A 64 -5.725 3.119 -3.231 1.00 0.00 C ATOM 953 CD2 PHE A 64 -5.407 1.522 -4.973 1.00 0.00 C ATOM 954 CE1 PHE A 64 -4.896 4.007 -3.890 1.00 0.00 C ATOM 955 CE2 PHE A 64 -4.577 2.406 -5.636 1.00 0.00 C ATOM 956 CZ PHE A 64 -4.322 3.651 -5.094 1.00 0.00 C ATOM 0 H PHE A 64 -8.639 -0.672 -2.309 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.680 2.053 -2.733 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.688 0.960 -1.976 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.651 -0.111 -3.363 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.172 3.403 -2.290 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -5.604 0.551 -5.402 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.697 4.979 -3.463 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.128 2.124 -6.577 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.675 4.344 -5.611 1.00 0.00 H new ATOM 966 N TRP A 65 -8.877 0.335 -5.510 1.00 0.00 N ATOM 967 CA TRP A 65 -9.133 0.433 -6.942 1.00 0.00 C ATOM 968 C TRP A 65 -10.597 0.766 -7.212 1.00 0.00 C ATOM 969 O TRP A 65 -10.916 1.482 -8.161 1.00 0.00 O ATOM 970 CB TRP A 65 -8.758 -0.875 -7.639 1.00 0.00 C ATOM 971 CG TRP A 65 -7.323 -1.261 -7.445 1.00 0.00 C ATOM 972 CD1 TRP A 65 -6.853 -2.410 -6.875 1.00 0.00 C ATOM 973 CD2 TRP A 65 -6.171 -0.497 -7.820 1.00 0.00 C ATOM 974 NE1 TRP A 65 -5.479 -2.405 -6.872 1.00 0.00 N ATOM 975 CE2 TRP A 65 -5.036 -1.243 -7.447 1.00 0.00 C ATOM 976 CE3 TRP A 65 -5.989 0.744 -8.435 1.00 0.00 C ATOM 977 CZ2 TRP A 65 -3.740 -0.787 -7.669 1.00 0.00 C ATOM 978 CZ3 TRP A 65 -4.701 1.196 -8.654 1.00 0.00 C ATOM 979 CH2 TRP A 65 -3.591 0.432 -8.273 1.00 0.00 C ATOM 0 H TRP A 65 -8.905 -0.615 -5.140 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.517 1.239 -7.341 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -9.396 -1.675 -7.263 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.960 -0.781 -8.706 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.470 -3.205 -6.484 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -4.885 -3.147 -6.502 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.839 1.339 -8.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -2.882 -1.374 -7.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -4.548 2.155 -9.127 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -2.598 0.812 -8.460 1.00 0.00 H new ATOM 990 N LYS A 66 -11.483 0.241 -6.372 1.00 0.00 N ATOM 991 CA LYS A 66 -12.913 0.483 -6.519 1.00 0.00 C ATOM 992 C LYS A 66 -13.210 1.979 -6.564 1.00 0.00 C ATOM 993 O LYS A 66 -13.892 2.460 -7.469 1.00 0.00 O ATOM 994 CB LYS A 66 -13.682 -0.165 -5.366 1.00 0.00 C ATOM 995 CG LYS A 66 -13.546 -1.677 -5.318 1.00 0.00 C ATOM 996 CD LYS A 66 -14.757 -2.326 -4.670 1.00 0.00 C ATOM 997 CE LYS A 66 -14.613 -2.388 -3.157 1.00 0.00 C ATOM 998 NZ LYS A 66 -15.907 -2.697 -2.489 1.00 0.00 N ATOM 0 H LYS A 66 -11.235 -0.355 -5.582 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.236 0.037 -7.460 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.328 0.253 -4.424 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.737 0.094 -5.453 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -13.422 -2.064 -6.329 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -12.648 -1.945 -4.762 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.654 -1.764 -4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -14.887 -3.333 -5.066 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.878 -3.148 -2.893 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -14.233 -1.435 -2.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -15.767 -2.730 -1.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -16.602 -1.959 -2.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -16.258 -3.618 -2.821 1.00 0.00 H new ATOM 1012 N VAL A 67 -12.692 2.710 -5.582 1.00 0.00 N ATOM 1013 CA VAL A 67 -12.899 4.152 -5.512 1.00 0.00 C ATOM 1014 C VAL A 67 -12.507 4.828 -6.821 1.00 0.00 C ATOM 1015 O VAL A 67 -13.015 5.898 -7.155 1.00 0.00 O ATOM 1016 CB VAL A 67 -12.091 4.779 -4.360 1.00 0.00 C ATOM 1017 CG1 VAL A 67 -12.771 4.515 -3.025 1.00 0.00 C ATOM 1018 CG2 VAL A 67 -10.666 4.247 -4.358 1.00 0.00 C ATOM 0 H VAL A 67 -12.126 2.328 -4.824 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.962 4.311 -5.329 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.051 5.858 -4.512 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.186 4.965 -2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -13.770 4.950 -3.033 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.845 3.440 -2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.109 4.700 -3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.682 3.165 -4.231 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.184 4.494 -5.304 1.00 0.00 H new ATOM 1028 N GLY A 68 -11.599 4.196 -7.558 1.00 0.00 N ATOM 1029 CA GLY A 68 -11.154 4.752 -8.823 1.00 0.00 C ATOM 1030 C GLY A 68 -9.896 5.584 -8.680 1.00 0.00 C ATOM 1031 O GLY A 68 -9.815 6.696 -9.203 1.00 0.00 O ATOM 0 H GLY A 68 -11.164 3.310 -7.302 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.971 3.941 -9.528 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.948 5.369 -9.245 1.00 0.00 H new ATOM 1035 N HIS A 69 -8.910 5.047 -7.968 1.00 0.00 N ATOM 1036 CA HIS A 69 -7.649 5.749 -7.756 1.00 0.00 C ATOM 1037 C HIS A 69 -6.519 5.082 -8.535 1.00 0.00 C ATOM 1038 O HIS A 69 -5.462 4.783 -7.980 1.00 0.00 O ATOM 1039 CB HIS A 69 -7.305 5.786 -6.267 1.00 0.00 C ATOM 1040 CG HIS A 69 -7.908 6.950 -5.542 1.00 0.00 C ATOM 1041 ND1 HIS A 69 -7.154 7.965 -4.992 1.00 0.00 N ATOM 1042 CD2 HIS A 69 -9.199 7.258 -5.280 1.00 0.00 C ATOM 1043 CE1 HIS A 69 -7.956 8.846 -4.421 1.00 0.00 C ATOM 1044 NE2 HIS A 69 -9.203 8.440 -4.582 1.00 0.00 N ATOM 0 H HIS A 69 -8.960 4.128 -7.528 1.00 0.00 H new ATOM 0 HA HIS A 69 -7.764 6.770 -8.119 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.646 4.862 -5.801 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.221 5.819 -6.153 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -10.066 6.681 -5.567 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -7.645 9.745 -3.910 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -10.033 8.926 -4.243 1.00 0.00 H new ATOM 1052 N SER A 70 -6.750 4.852 -9.824 1.00 0.00 N ATOM 1053 CA SER A 70 -5.753 4.216 -10.677 1.00 0.00 C ATOM 1054 C SER A 70 -4.379 4.844 -10.468 1.00 0.00 C ATOM 1055 O SER A 70 -4.262 5.938 -9.914 1.00 0.00 O ATOM 1056 CB SER A 70 -6.161 4.333 -12.147 1.00 0.00 C ATOM 1057 OG SER A 70 -7.391 3.671 -12.389 1.00 0.00 O ATOM 0 H SER A 70 -7.618 5.097 -10.300 1.00 0.00 H new ATOM 0 HA SER A 70 -5.697 3.162 -10.405 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.250 5.384 -12.420 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.383 3.904 -12.779 1.00 0.00 H new ATOM 0 HG SER A 70 -7.631 3.762 -13.335 1.00 0.00 H new ATOM 1063 N ILE A 71 -3.341 4.144 -10.913 1.00 0.00 N ATOM 1064 CA ILE A 71 -1.975 4.632 -10.776 1.00 0.00 C ATOM 1065 C ILE A 71 -1.119 4.212 -11.966 1.00 0.00 C ATOM 1066 O ILE A 71 -1.024 3.028 -12.289 1.00 0.00 O ATOM 1067 CB ILE A 71 -1.321 4.117 -9.480 1.00 0.00 C ATOM 1068 CG1 ILE A 71 -2.080 4.637 -8.258 1.00 0.00 C ATOM 1069 CG2 ILE A 71 0.141 4.537 -9.422 1.00 0.00 C ATOM 1070 CD1 ILE A 71 -1.661 3.980 -6.962 1.00 0.00 C ATOM 0 H ILE A 71 -3.420 3.236 -11.372 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.031 5.720 -10.738 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.366 3.028 -9.475 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.927 5.713 -8.176 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.148 4.477 -8.408 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.590 4.166 -8.501 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.673 4.122 -10.278 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.208 5.625 -9.446 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.240 4.397 -6.139 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.840 2.907 -7.024 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.600 4.162 -6.788 1.00 0.00 H new ATOM 1082 N ARG A 72 -0.496 5.191 -12.614 1.00 0.00 N ATOM 1083 CA ARG A 72 0.354 4.924 -13.768 1.00 0.00 C ATOM 1084 C ARG A 72 1.565 4.085 -13.370 1.00 0.00 C ATOM 1085 O ARG A 72 1.736 2.960 -13.840 1.00 0.00 O ATOM 1086 CB ARG A 72 0.815 6.236 -14.404 1.00 0.00 C ATOM 1087 CG ARG A 72 -0.296 6.995 -15.111 1.00 0.00 C ATOM 1088 CD ARG A 72 0.258 7.930 -16.175 1.00 0.00 C ATOM 1089 NE ARG A 72 1.034 9.022 -15.594 1.00 0.00 N ATOM 1090 CZ ARG A 72 1.859 9.791 -16.295 1.00 0.00 C ATOM 1091 NH1 ARG A 72 2.014 9.590 -17.596 1.00 0.00 N ATOM 1092 NH2 ARG A 72 2.531 10.765 -15.694 1.00 0.00 N ATOM 0 H ARG A 72 -0.564 6.176 -12.359 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.231 4.362 -14.496 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.244 6.874 -13.631 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.610 6.024 -15.119 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.986 6.288 -15.570 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.867 7.570 -14.382 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.887 7.364 -16.863 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.565 8.341 -16.760 1.00 0.00 H new ATOM 0 HE ARG A 72 0.937 9.204 -14.595 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.499 8.843 -18.062 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.648 10.182 -18.132 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.414 10.923 -14.693 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.165 11.355 -16.233 1.00 0.00 H new ATOM 1106 N HIS A 73 2.402 4.641 -12.500 1.00 0.00 N ATOM 1107 CA HIS A 73 3.598 3.945 -12.038 1.00 0.00 C ATOM 1108 C HIS A 73 3.688 3.973 -10.515 1.00 0.00 C ATOM 1109 O HIS A 73 4.245 4.895 -9.919 1.00 0.00 O ATOM 1110 CB HIS A 73 4.849 4.577 -12.647 1.00 0.00 C ATOM 1111 CG HIS A 73 4.864 4.554 -14.144 1.00 0.00 C ATOM 1112 ND1 HIS A 73 4.728 3.396 -14.881 1.00 0.00 N ATOM 1113 CD2 HIS A 73 4.998 5.557 -15.044 1.00 0.00 C ATOM 1114 CE1 HIS A 73 4.779 3.688 -16.168 1.00 0.00 C ATOM 1115 NE2 HIS A 73 4.942 4.992 -16.294 1.00 0.00 N ATOM 0 H HIS A 73 2.274 5.571 -12.101 1.00 0.00 H new ATOM 0 HA HIS A 73 3.532 2.906 -12.361 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.926 5.610 -12.307 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.729 4.052 -12.275 1.00 0.00 H new ATOM 0 HD2 HIS A 73 5.125 6.606 -14.820 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.701 2.980 -16.980 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.015 5.498 -17.177 1.00 0.00 H new ATOM 1123 N PRO A 74 3.128 2.940 -9.869 1.00 0.00 N ATOM 1124 CA PRO A 74 3.133 2.823 -8.408 1.00 0.00 C ATOM 1125 C PRO A 74 4.525 2.542 -7.853 1.00 0.00 C ATOM 1126 O PRO A 74 4.769 2.696 -6.656 1.00 0.00 O ATOM 1127 CB PRO A 74 2.202 1.637 -8.143 1.00 0.00 C ATOM 1128 CG PRO A 74 2.260 0.824 -9.391 1.00 0.00 C ATOM 1129 CD PRO A 74 2.447 1.805 -10.515 1.00 0.00 C ATOM 0 HA PRO A 74 2.816 3.747 -7.925 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.532 1.060 -7.279 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.185 1.970 -7.935 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.083 0.111 -9.354 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.345 0.247 -9.524 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.047 1.383 -11.321 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.493 2.104 -10.950 1.00 0.00 H new ATOM 1137 N ASP A 75 5.434 2.130 -8.730 1.00 0.00 N ATOM 1138 CA ASP A 75 6.803 1.829 -8.327 1.00 0.00 C ATOM 1139 C ASP A 75 7.463 3.049 -7.693 1.00 0.00 C ATOM 1140 O ASP A 75 8.132 2.941 -6.665 1.00 0.00 O ATOM 1141 CB ASP A 75 7.620 1.360 -9.532 1.00 0.00 C ATOM 1142 CG ASP A 75 8.942 0.739 -9.129 1.00 0.00 C ATOM 1143 OD1 ASP A 75 9.424 1.038 -8.016 1.00 0.00 O ATOM 1144 OD2 ASP A 75 9.496 -0.047 -9.925 1.00 0.00 O ATOM 0 H ASP A 75 5.248 1.997 -9.724 1.00 0.00 H new ATOM 0 HA ASP A 75 6.771 1.030 -7.586 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.039 0.634 -10.100 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.806 2.207 -10.193 1.00 0.00 H new ATOM 1149 N VAL A 76 7.273 4.209 -8.313 1.00 0.00 N ATOM 1150 CA VAL A 76 7.850 5.449 -7.810 1.00 0.00 C ATOM 1151 C VAL A 76 6.785 6.328 -7.162 1.00 0.00 C ATOM 1152 O VAL A 76 7.076 7.101 -6.250 1.00 0.00 O ATOM 1153 CB VAL A 76 8.541 6.244 -8.934 1.00 0.00 C ATOM 1154 CG1 VAL A 76 9.783 5.512 -9.419 1.00 0.00 C ATOM 1155 CG2 VAL A 76 7.575 6.491 -10.082 1.00 0.00 C ATOM 0 H VAL A 76 6.723 4.316 -9.165 1.00 0.00 H new ATOM 0 HA VAL A 76 8.593 5.171 -7.062 1.00 0.00 H new ATOM 0 HB VAL A 76 8.850 7.210 -8.536 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.258 6.088 -10.213 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.481 5.391 -8.591 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.501 4.531 -9.802 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.080 7.054 -10.867 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.233 5.536 -10.482 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.719 7.060 -9.721 1.00 0.00 H new ATOM 1165 N GLU A 77 5.551 6.202 -7.640 1.00 0.00 N ATOM 1166 CA GLU A 77 4.443 6.985 -7.107 1.00 0.00 C ATOM 1167 C GLU A 77 4.019 6.466 -5.736 1.00 0.00 C ATOM 1168 O GLU A 77 3.838 7.240 -4.796 1.00 0.00 O ATOM 1169 CB GLU A 77 3.253 6.947 -8.069 1.00 0.00 C ATOM 1170 CG GLU A 77 3.483 7.726 -9.353 1.00 0.00 C ATOM 1171 CD GLU A 77 2.189 8.120 -10.036 1.00 0.00 C ATOM 1172 OE1 GLU A 77 1.147 8.168 -9.349 1.00 0.00 O ATOM 1173 OE2 GLU A 77 2.217 8.381 -11.257 1.00 0.00 O ATOM 0 H GLU A 77 5.294 5.566 -8.395 1.00 0.00 H new ATOM 0 HA GLU A 77 4.780 8.016 -6.998 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.031 5.909 -8.318 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.375 7.348 -7.563 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.060 8.624 -9.130 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.081 7.124 -10.037 1.00 0.00 H new ATOM 1180 N VAL A 78 3.862 5.150 -5.631 1.00 0.00 N ATOM 1181 CA VAL A 78 3.460 4.526 -4.376 1.00 0.00 C ATOM 1182 C VAL A 78 4.675 4.092 -3.564 1.00 0.00 C ATOM 1183 O VAL A 78 5.541 3.371 -4.061 1.00 0.00 O ATOM 1184 CB VAL A 78 2.556 3.304 -4.621 1.00 0.00 C ATOM 1185 CG1 VAL A 78 2.170 2.652 -3.302 1.00 0.00 C ATOM 1186 CG2 VAL A 78 1.319 3.706 -5.409 1.00 0.00 C ATOM 0 H VAL A 78 4.007 4.496 -6.400 1.00 0.00 H new ATOM 0 HA VAL A 78 2.901 5.275 -3.815 1.00 0.00 H new ATOM 0 HB VAL A 78 3.112 2.575 -5.210 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.531 1.790 -3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.070 2.327 -2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.632 3.371 -2.684 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.691 2.830 -5.573 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.758 4.454 -4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.619 4.122 -6.371 1.00 0.00 H new ATOM 1196 N ASP A 79 4.733 4.535 -2.313 1.00 0.00 N ATOM 1197 CA ASP A 79 5.842 4.190 -1.431 1.00 0.00 C ATOM 1198 C ASP A 79 5.674 2.781 -0.872 1.00 0.00 C ATOM 1199 O ASP A 79 4.614 2.429 -0.356 1.00 0.00 O ATOM 1200 CB ASP A 79 5.942 5.199 -0.285 1.00 0.00 C ATOM 1201 CG ASP A 79 7.348 5.304 0.273 1.00 0.00 C ATOM 1202 OD1 ASP A 79 8.028 4.261 0.366 1.00 0.00 O ATOM 1203 OD2 ASP A 79 7.768 6.429 0.616 1.00 0.00 O ATOM 0 H ASP A 79 4.025 5.133 -1.887 1.00 0.00 H new ATOM 0 HA ASP A 79 6.762 4.222 -2.015 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.620 6.179 -0.638 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.259 4.908 0.513 1.00 0.00 H new ATOM 1208 N GLY A 80 6.728 1.977 -0.979 1.00 0.00 N ATOM 1209 CA GLY A 80 6.676 0.615 -0.481 1.00 0.00 C ATOM 1210 C GLY A 80 6.845 -0.412 -1.583 1.00 0.00 C ATOM 1211 O GLY A 80 7.477 -1.450 -1.383 1.00 0.00 O ATOM 0 H GLY A 80 7.617 2.245 -1.402 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.458 0.474 0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.722 0.451 0.021 1.00 0.00 H new ATOM 1215 N PHE A 81 6.279 -0.124 -2.750 1.00 0.00 N ATOM 1216 CA PHE A 81 6.367 -1.032 -3.888 1.00 0.00 C ATOM 1217 C PHE A 81 7.740 -1.694 -3.949 1.00 0.00 C ATOM 1218 O PHE A 81 7.856 -2.917 -3.864 1.00 0.00 O ATOM 1219 CB PHE A 81 6.093 -0.279 -5.191 1.00 0.00 C ATOM 1220 CG PHE A 81 6.128 -1.156 -6.409 1.00 0.00 C ATOM 1221 CD1 PHE A 81 5.008 -1.876 -6.793 1.00 0.00 C ATOM 1222 CD2 PHE A 81 7.280 -1.261 -7.171 1.00 0.00 C ATOM 1223 CE1 PHE A 81 5.038 -2.685 -7.913 1.00 0.00 C ATOM 1224 CE2 PHE A 81 7.316 -2.068 -8.292 1.00 0.00 C ATOM 1225 CZ PHE A 81 6.193 -2.780 -8.664 1.00 0.00 C ATOM 0 H PHE A 81 5.754 0.731 -2.933 1.00 0.00 H new ATOM 0 HA PHE A 81 5.613 -1.809 -3.761 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.116 0.200 -5.126 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.831 0.516 -5.304 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.101 -1.804 -6.210 1.00 0.00 H new ATOM 0 HD2 PHE A 81 8.161 -0.705 -6.885 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.159 -3.242 -8.201 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.221 -2.142 -8.876 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.218 -3.410 -9.541 1.00 0.00 H new ATOM 1235 N SER A 82 8.778 -0.878 -4.097 1.00 0.00 N ATOM 1236 CA SER A 82 10.144 -1.384 -4.175 1.00 0.00 C ATOM 1237 C SER A 82 10.407 -2.406 -3.074 1.00 0.00 C ATOM 1238 O SER A 82 11.031 -3.441 -3.309 1.00 0.00 O ATOM 1239 CB SER A 82 11.144 -0.232 -4.067 1.00 0.00 C ATOM 1240 OG SER A 82 12.474 -0.695 -4.222 1.00 0.00 O ATOM 0 H SER A 82 8.700 0.137 -4.165 1.00 0.00 H new ATOM 0 HA SER A 82 10.270 -1.875 -5.140 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.925 0.516 -4.829 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.036 0.257 -3.099 1.00 0.00 H new ATOM 0 HG SER A 82 13.094 0.061 -4.150 1.00 0.00 H new ATOM 1246 N GLU A 83 9.928 -2.108 -1.870 1.00 0.00 N ATOM 1247 CA GLU A 83 10.112 -3.001 -0.732 1.00 0.00 C ATOM 1248 C GLU A 83 9.417 -4.338 -0.971 1.00 0.00 C ATOM 1249 O GLU A 83 9.961 -5.398 -0.657 1.00 0.00 O ATOM 1250 CB GLU A 83 9.571 -2.353 0.545 1.00 0.00 C ATOM 1251 CG GLU A 83 10.249 -1.039 0.895 1.00 0.00 C ATOM 1252 CD GLU A 83 10.015 -0.628 2.336 1.00 0.00 C ATOM 1253 OE1 GLU A 83 9.000 -1.065 2.919 1.00 0.00 O ATOM 1254 OE2 GLU A 83 10.845 0.130 2.880 1.00 0.00 O ATOM 0 H GLU A 83 9.410 -1.255 -1.658 1.00 0.00 H new ATOM 0 HA GLU A 83 11.180 -3.183 -0.615 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.501 -2.181 0.430 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.694 -3.048 1.375 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.320 -1.128 0.716 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.879 -0.256 0.233 1.00 0.00 H new ATOM 1261 N LEU A 84 8.213 -4.281 -1.529 1.00 0.00 N ATOM 1262 CA LEU A 84 7.442 -5.487 -1.810 1.00 0.00 C ATOM 1263 C LEU A 84 8.291 -6.515 -2.550 1.00 0.00 C ATOM 1264 O LEU A 84 9.242 -6.163 -3.248 1.00 0.00 O ATOM 1265 CB LEU A 84 6.202 -5.142 -2.638 1.00 0.00 C ATOM 1266 CG LEU A 84 5.166 -4.249 -1.954 1.00 0.00 C ATOM 1267 CD1 LEU A 84 4.061 -3.871 -2.928 1.00 0.00 C ATOM 1268 CD2 LEU A 84 4.587 -4.945 -0.731 1.00 0.00 C ATOM 0 H LEU A 84 7.749 -3.413 -1.796 1.00 0.00 H new ATOM 0 HA LEU A 84 7.128 -5.918 -0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.527 -4.651 -3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.714 -6.072 -2.930 1.00 0.00 H new ATOM 0 HG LEU A 84 5.661 -3.335 -1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.333 -3.236 -2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.489 -3.332 -3.773 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.567 -4.774 -3.287 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.852 -4.295 -0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.107 -5.875 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.387 -5.164 -0.024 1.00 0.00 H new ATOM 1280 N ARG A 85 7.939 -7.788 -2.395 1.00 0.00 N ATOM 1281 CA ARG A 85 8.668 -8.867 -3.049 1.00 0.00 C ATOM 1282 C ARG A 85 8.532 -8.774 -4.566 1.00 0.00 C ATOM 1283 O ARG A 85 7.778 -7.949 -5.082 1.00 0.00 O ATOM 1284 CB ARG A 85 8.156 -10.225 -2.563 1.00 0.00 C ATOM 1285 CG ARG A 85 8.325 -10.439 -1.067 1.00 0.00 C ATOM 1286 CD ARG A 85 8.295 -11.917 -0.710 1.00 0.00 C ATOM 1287 NE ARG A 85 8.815 -12.166 0.632 1.00 0.00 N ATOM 1288 CZ ARG A 85 9.515 -13.247 0.960 1.00 0.00 C ATOM 1289 NH1 ARG A 85 9.777 -14.173 0.048 1.00 0.00 N ATOM 1290 NH2 ARG A 85 9.955 -13.402 2.202 1.00 0.00 N ATOM 0 H ARG A 85 7.153 -8.096 -1.822 1.00 0.00 H new ATOM 0 HA ARG A 85 9.722 -8.769 -2.789 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.100 -10.318 -2.818 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.684 -11.015 -3.097 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.269 -10.004 -0.740 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.531 -9.918 -0.532 1.00 0.00 H new ATOM 0 HD2 ARG A 85 7.271 -12.285 -0.776 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.883 -12.478 -1.437 1.00 0.00 H new ATOM 0 HE ARG A 85 8.631 -11.472 1.357 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.441 -14.057 -0.908 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.315 -15.002 0.302 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.756 -12.691 2.906 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.492 -14.232 2.453 1.00 0.00 H new ATOM 1304 N TRP A 86 9.267 -9.625 -5.273 1.00 0.00 N ATOM 1305 CA TRP A 86 9.229 -9.638 -6.731 1.00 0.00 C ATOM 1306 C TRP A 86 7.830 -9.975 -7.236 1.00 0.00 C ATOM 1307 O TRP A 86 7.218 -9.192 -7.963 1.00 0.00 O ATOM 1308 CB TRP A 86 10.239 -10.647 -7.279 1.00 0.00 C ATOM 1309 CG TRP A 86 10.257 -10.716 -8.777 1.00 0.00 C ATOM 1310 CD1 TRP A 86 10.940 -9.894 -9.627 1.00 0.00 C ATOM 1311 CD2 TRP A 86 9.559 -11.658 -9.599 1.00 0.00 C ATOM 1312 NE1 TRP A 86 10.708 -10.268 -10.929 1.00 0.00 N ATOM 1313 CE2 TRP A 86 9.865 -11.348 -10.939 1.00 0.00 C ATOM 1314 CE3 TRP A 86 8.707 -12.733 -9.334 1.00 0.00 C ATOM 1315 CZ2 TRP A 86 9.348 -12.075 -12.007 1.00 0.00 C ATOM 1316 CZ3 TRP A 86 8.194 -13.454 -10.396 1.00 0.00 C ATOM 1317 CH2 TRP A 86 8.516 -13.123 -11.719 1.00 0.00 C ATOM 0 H TRP A 86 9.896 -10.314 -4.861 1.00 0.00 H new ATOM 0 HA TRP A 86 9.493 -8.642 -7.085 1.00 0.00 H new ATOM 0 HB2 TRP A 86 11.235 -10.384 -6.923 1.00 0.00 H new ATOM 0 HB3 TRP A 86 10.008 -11.635 -6.880 1.00 0.00 H new ATOM 0 HD1 TRP A 86 11.570 -9.071 -9.321 1.00 0.00 H new ATOM 0 HE1 TRP A 86 11.100 -9.815 -11.754 1.00 0.00 H new ATOM 0 HE3 TRP A 86 8.454 -12.996 -8.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 9.595 -11.821 -13.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 7.534 -14.287 -10.203 1.00 0.00 H new ATOM 0 HH2 TRP A 86 8.100 -13.706 -12.527 1.00 0.00 H new ATOM 1328 N ASP A 87 7.331 -11.142 -6.847 1.00 0.00 N ATOM 1329 CA ASP A 87 6.003 -11.582 -7.259 1.00 0.00 C ATOM 1330 C ASP A 87 4.977 -10.471 -7.060 1.00 0.00 C ATOM 1331 O ASP A 87 4.250 -10.110 -7.986 1.00 0.00 O ATOM 1332 CB ASP A 87 5.586 -12.825 -6.472 1.00 0.00 C ATOM 1333 CG ASP A 87 4.222 -13.341 -6.884 1.00 0.00 C ATOM 1334 OD1 ASP A 87 4.140 -14.047 -7.911 1.00 0.00 O ATOM 1335 OD2 ASP A 87 3.235 -13.039 -6.180 1.00 0.00 O ATOM 0 H ASP A 87 7.826 -11.801 -6.246 1.00 0.00 H new ATOM 0 HA ASP A 87 6.043 -11.830 -8.320 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.328 -13.610 -6.619 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.576 -12.591 -5.407 1.00 0.00 H new ATOM 1340 N ASP A 88 4.922 -9.934 -5.846 1.00 0.00 N ATOM 1341 CA ASP A 88 3.984 -8.864 -5.525 1.00 0.00 C ATOM 1342 C ASP A 88 4.177 -7.674 -6.459 1.00 0.00 C ATOM 1343 O ASP A 88 3.217 -7.169 -7.041 1.00 0.00 O ATOM 1344 CB ASP A 88 4.162 -8.421 -4.072 1.00 0.00 C ATOM 1345 CG ASP A 88 3.982 -9.564 -3.092 1.00 0.00 C ATOM 1346 OD1 ASP A 88 4.890 -10.415 -3.000 1.00 0.00 O ATOM 1347 OD2 ASP A 88 2.931 -9.607 -2.417 1.00 0.00 O ATOM 0 H ASP A 88 5.516 -10.222 -5.068 1.00 0.00 H new ATOM 0 HA ASP A 88 2.973 -9.248 -5.659 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.156 -7.991 -3.945 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.443 -7.634 -3.844 1.00 0.00 H new ATOM 1352 N GLN A 89 5.422 -7.232 -6.597 1.00 0.00 N ATOM 1353 CA GLN A 89 5.739 -6.100 -7.460 1.00 0.00 C ATOM 1354 C GLN A 89 5.001 -6.206 -8.790 1.00 0.00 C ATOM 1355 O GLN A 89 4.437 -5.226 -9.277 1.00 0.00 O ATOM 1356 CB GLN A 89 7.247 -6.025 -7.705 1.00 0.00 C ATOM 1357 CG GLN A 89 7.998 -5.236 -6.643 1.00 0.00 C ATOM 1358 CD GLN A 89 9.436 -4.956 -7.032 1.00 0.00 C ATOM 1359 OE1 GLN A 89 9.975 -5.575 -7.950 1.00 0.00 O ATOM 1360 NE2 GLN A 89 10.067 -4.019 -6.334 1.00 0.00 N ATOM 0 H GLN A 89 6.228 -7.640 -6.123 1.00 0.00 H new ATOM 0 HA GLN A 89 5.414 -5.190 -6.956 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.651 -7.037 -7.747 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.426 -5.569 -8.679 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.483 -4.292 -6.465 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.981 -5.790 -5.704 1.00 0.00 H new ATOM 0 HE21 GLN A 89 9.582 -3.531 -5.581 1.00 0.00 H new ATOM 0 HE22 GLN A 89 11.037 -3.788 -6.551 1.00 0.00 H new ATOM 1369 N GLN A 90 5.009 -7.400 -9.373 1.00 0.00 N ATOM 1370 CA GLN A 90 4.341 -7.633 -10.647 1.00 0.00 C ATOM 1371 C GLN A 90 2.826 -7.547 -10.491 1.00 0.00 C ATOM 1372 O GLN A 90 2.130 -7.022 -11.361 1.00 0.00 O ATOM 1373 CB GLN A 90 4.731 -9.001 -11.210 1.00 0.00 C ATOM 1374 CG GLN A 90 6.146 -9.050 -11.763 1.00 0.00 C ATOM 1375 CD GLN A 90 6.237 -8.520 -13.181 1.00 0.00 C ATOM 1376 OE1 GLN A 90 5.239 -8.464 -13.900 1.00 0.00 O ATOM 1377 NE2 GLN A 90 7.437 -8.127 -13.590 1.00 0.00 N ATOM 0 H GLN A 90 5.471 -8.221 -8.983 1.00 0.00 H new ATOM 0 HA GLN A 90 4.661 -6.858 -11.343 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.631 -9.750 -10.424 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.031 -9.272 -12.000 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.804 -8.467 -11.118 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.506 -10.079 -11.740 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.237 -8.191 -12.960 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.559 -7.761 -14.534 1.00 0.00 H new ATOM 1386 N LYS A 91 2.321 -8.066 -9.378 1.00 0.00 N ATOM 1387 CA LYS A 91 0.888 -8.048 -9.106 1.00 0.00 C ATOM 1388 C LYS A 91 0.354 -6.619 -9.098 1.00 0.00 C ATOM 1389 O LYS A 91 -0.552 -6.280 -9.860 1.00 0.00 O ATOM 1390 CB LYS A 91 0.594 -8.722 -7.764 1.00 0.00 C ATOM 1391 CG LYS A 91 -0.852 -8.586 -7.319 1.00 0.00 C ATOM 1392 CD LYS A 91 -1.187 -9.567 -6.208 1.00 0.00 C ATOM 1393 CE LYS A 91 -2.648 -9.989 -6.259 1.00 0.00 C ATOM 1394 NZ LYS A 91 -2.905 -10.963 -7.356 1.00 0.00 N ATOM 0 H LYS A 91 2.883 -8.505 -8.649 1.00 0.00 H new ATOM 0 HA LYS A 91 0.386 -8.600 -9.900 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.845 -9.780 -7.836 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.242 -8.291 -7.001 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.033 -7.568 -6.974 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.513 -8.757 -8.169 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.550 -10.447 -6.294 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.972 -9.111 -5.242 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.931 -10.433 -5.305 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.276 -9.109 -6.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.863 -11.354 -7.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.822 -10.482 -8.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.209 -11.734 -7.306 1.00 0.00 H new ATOM 1408 N VAL A 92 0.922 -5.785 -8.232 1.00 0.00 N ATOM 1409 CA VAL A 92 0.504 -4.392 -8.127 1.00 0.00 C ATOM 1410 C VAL A 92 0.638 -3.676 -9.466 1.00 0.00 C ATOM 1411 O VAL A 92 -0.230 -2.892 -9.853 1.00 0.00 O ATOM 1412 CB VAL A 92 1.330 -3.637 -7.069 1.00 0.00 C ATOM 1413 CG1 VAL A 92 0.939 -2.168 -7.034 1.00 0.00 C ATOM 1414 CG2 VAL A 92 1.153 -4.276 -5.700 1.00 0.00 C ATOM 0 H VAL A 92 1.672 -6.050 -7.594 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.543 -4.397 -7.824 1.00 0.00 H new ATOM 0 HB VAL A 92 2.383 -3.702 -7.342 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.533 -1.651 -6.280 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.122 -1.720 -8.011 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.119 -2.079 -6.786 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.744 -3.730 -4.964 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.101 -4.244 -5.417 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.487 -5.313 -5.736 1.00 0.00 H new ATOM 1424 N LYS A 93 1.730 -3.949 -10.171 1.00 0.00 N ATOM 1425 CA LYS A 93 1.979 -3.333 -11.469 1.00 0.00 C ATOM 1426 C LYS A 93 0.785 -3.524 -12.399 1.00 0.00 C ATOM 1427 O LYS A 93 0.071 -2.572 -12.713 1.00 0.00 O ATOM 1428 CB LYS A 93 3.237 -3.928 -12.106 1.00 0.00 C ATOM 1429 CG LYS A 93 4.522 -3.251 -11.662 1.00 0.00 C ATOM 1430 CD LYS A 93 5.746 -4.039 -12.097 1.00 0.00 C ATOM 1431 CE LYS A 93 6.092 -3.774 -13.554 1.00 0.00 C ATOM 1432 NZ LYS A 93 6.658 -2.410 -13.750 1.00 0.00 N ATOM 0 H LYS A 93 2.458 -4.594 -9.865 1.00 0.00 H new ATOM 0 HA LYS A 93 2.129 -2.265 -11.314 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.291 -4.989 -11.861 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.154 -3.856 -13.190 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.568 -2.245 -12.080 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.523 -3.145 -10.577 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.594 -3.773 -11.466 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.564 -5.104 -11.953 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.810 -4.518 -13.898 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.197 -3.888 -14.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.111 -2.353 -14.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.895 -1.706 -13.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.364 -2.217 -13.011 1.00 0.00 H new ATOM 1446 N LYS A 94 0.574 -4.761 -12.836 1.00 0.00 N ATOM 1447 CA LYS A 94 -0.535 -5.079 -13.728 1.00 0.00 C ATOM 1448 C LYS A 94 -1.849 -4.533 -13.179 1.00 0.00 C ATOM 1449 O LYS A 94 -2.548 -3.774 -13.852 1.00 0.00 O ATOM 1450 CB LYS A 94 -0.641 -6.593 -13.924 1.00 0.00 C ATOM 1451 CG LYS A 94 -0.563 -7.380 -12.628 1.00 0.00 C ATOM 1452 CD LYS A 94 0.087 -8.737 -12.838 1.00 0.00 C ATOM 1453 CE LYS A 94 -0.947 -9.810 -13.143 1.00 0.00 C ATOM 1454 NZ LYS A 94 -0.340 -11.169 -13.191 1.00 0.00 N ATOM 0 H LYS A 94 1.157 -5.560 -12.587 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.341 -4.607 -14.691 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.583 -6.821 -14.422 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.158 -6.922 -14.588 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.006 -6.813 -11.891 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.566 -7.515 -12.222 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.802 -8.676 -13.658 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.648 -9.015 -11.946 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.728 -9.788 -12.383 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.425 -9.592 -14.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.078 -11.871 -13.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.388 -11.198 -13.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.094 -11.388 -12.272 1.00 0.00 H new ATOM 1468 N THR A 95 -2.179 -4.922 -11.952 1.00 0.00 N ATOM 1469 CA THR A 95 -3.409 -4.471 -11.312 1.00 0.00 C ATOM 1470 C THR A 95 -3.625 -2.978 -11.527 1.00 0.00 C ATOM 1471 O THR A 95 -4.719 -2.544 -11.888 1.00 0.00 O ATOM 1472 CB THR A 95 -3.396 -4.765 -9.800 1.00 0.00 C ATOM 1473 OG1 THR A 95 -3.242 -6.170 -9.575 1.00 0.00 O ATOM 1474 CG2 THR A 95 -4.679 -4.279 -9.144 1.00 0.00 C ATOM 0 H THR A 95 -1.612 -5.549 -11.381 1.00 0.00 H new ATOM 0 HA THR A 95 -4.227 -5.023 -11.774 1.00 0.00 H new ATOM 0 HB THR A 95 -2.555 -4.233 -9.356 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.304 -6.421 -9.705 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.647 -4.497 -8.077 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.778 -3.204 -9.292 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.532 -4.787 -9.593 1.00 0.00 H new ATOM 1482 N ALA A 96 -2.575 -2.195 -11.303 1.00 0.00 N ATOM 1483 CA ALA A 96 -2.649 -0.749 -11.475 1.00 0.00 C ATOM 1484 C ALA A 96 -2.879 -0.381 -12.937 1.00 0.00 C ATOM 1485 O ALA A 96 -3.736 0.444 -13.251 1.00 0.00 O ATOM 1486 CB ALA A 96 -1.380 -0.090 -10.956 1.00 0.00 C ATOM 0 H ALA A 96 -1.663 -2.538 -11.002 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.498 -0.382 -10.898 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.449 0.989 -11.091 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.260 -0.316 -9.897 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.521 -0.470 -11.508 1.00 0.00 H new ATOM 1492 N GLU A 97 -2.107 -0.998 -13.826 1.00 0.00 N ATOM 1493 CA GLU A 97 -2.227 -0.733 -15.255 1.00 0.00 C ATOM 1494 C GLU A 97 -3.671 -0.895 -15.719 1.00 0.00 C ATOM 1495 O GLU A 97 -4.192 -0.063 -16.462 1.00 0.00 O ATOM 1496 CB GLU A 97 -1.316 -1.672 -16.048 1.00 0.00 C ATOM 1497 CG GLU A 97 0.160 -1.328 -15.935 1.00 0.00 C ATOM 1498 CD GLU A 97 0.966 -1.818 -17.122 1.00 0.00 C ATOM 1499 OE1 GLU A 97 0.543 -1.571 -18.270 1.00 0.00 O ATOM 1500 OE2 GLU A 97 2.021 -2.449 -16.902 1.00 0.00 O ATOM 0 H GLU A 97 -1.393 -1.684 -13.582 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.920 0.297 -15.435 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.470 -2.693 -15.700 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.607 -1.646 -17.098 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.272 -0.247 -15.846 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.562 -1.766 -15.022 1.00 0.00 H new ATOM 1507 N ALA A 98 -4.311 -1.972 -15.276 1.00 0.00 N ATOM 1508 CA ALA A 98 -5.695 -2.243 -15.645 1.00 0.00 C ATOM 1509 C ALA A 98 -6.654 -1.326 -14.893 1.00 0.00 C ATOM 1510 O ALA A 98 -7.599 -0.791 -15.471 1.00 0.00 O ATOM 1511 CB ALA A 98 -6.037 -3.701 -15.376 1.00 0.00 C ATOM 0 H ALA A 98 -3.893 -2.671 -14.661 1.00 0.00 H new ATOM 0 HA ALA A 98 -5.806 -2.045 -16.711 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.073 -3.889 -15.656 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.380 -4.343 -15.963 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.903 -3.917 -14.316 1.00 0.00 H new