USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 571 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 MET CE :methyl 171:sc= 0 (180deg=-0.15) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 151:sc= -3.6! USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0503 USER MOD Single : A 39 THR OG1 : rot 150:sc= 2.15 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 1:sc= -0.635 USER MOD Single : A 67 TYR OH : rot 180:sc= -0.201 USER MOD Single : A 70 CYS SG : rot -140:sc= -1.39 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.5) USER MOD Single : A 79 SER OG : rot 48:sc= 1.2 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N MET A 11 6.657 -10.324 3.612 1.00 0.00 N ATOM 109 CA MET A 11 6.833 -9.529 2.402 1.00 0.00 C ATOM 110 C MET A 11 7.384 -8.146 2.735 1.00 0.00 C ATOM 111 O MET A 11 8.279 -7.644 2.055 1.00 0.00 O ATOM 112 CB MET A 11 5.504 -9.395 1.657 1.00 0.00 C ATOM 113 CG MET A 11 4.980 -10.711 1.105 1.00 0.00 C ATOM 114 SD MET A 11 5.161 -10.838 -0.685 1.00 0.00 S ATOM 115 CE MET A 11 6.867 -11.365 -0.818 1.00 0.00 C ATOM 0 HA MET A 11 7.551 -10.042 1.762 1.00 0.00 H new ATOM 0 HB2 MET A 11 4.760 -8.972 2.332 1.00 0.00 H new ATOM 0 HB3 MET A 11 5.627 -8.689 0.835 1.00 0.00 H new ATOM 0 HG2 MET A 11 5.512 -11.536 1.579 1.00 0.00 H new ATOM 0 HG3 MET A 11 3.927 -10.817 1.368 1.00 0.00 H new ATOM 0 HE1 MET A 11 7.083 -11.641 -1.850 1.00 0.00 H new ATOM 0 HE2 MET A 11 7.524 -10.550 -0.515 1.00 0.00 H new ATOM 0 HE3 MET A 11 7.034 -12.226 -0.170 1.00 0.00 H new ATOM 125 N LEU A 12 6.844 -7.537 3.785 1.00 0.00 N ATOM 126 CA LEU A 12 7.282 -6.212 4.208 1.00 0.00 C ATOM 127 C LEU A 12 8.747 -6.232 4.630 1.00 0.00 C ATOM 128 O LEU A 12 9.558 -5.449 4.134 1.00 0.00 O ATOM 129 CB LEU A 12 6.414 -5.711 5.364 1.00 0.00 C ATOM 130 CG LEU A 12 5.071 -5.107 4.952 1.00 0.00 C ATOM 131 CD1 LEU A 12 4.169 -4.935 6.164 1.00 0.00 C ATOM 132 CD2 LEU A 12 5.281 -3.774 4.248 1.00 0.00 C ATOM 0 H LEU A 12 6.103 -7.939 4.359 1.00 0.00 H new ATOM 0 HA LEU A 12 7.176 -5.534 3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.228 -6.542 6.045 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.976 -4.962 5.922 1.00 0.00 H new ATOM 0 HG LEU A 12 4.584 -5.791 4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.218 -4.504 5.851 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.993 -5.906 6.627 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.649 -4.272 6.884 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.315 -3.358 3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.789 -3.083 4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.890 -3.925 3.357 1.00 0.00 H new ATOM 144 N SER A 13 9.082 -7.134 5.548 1.00 0.00 N ATOM 145 CA SER A 13 10.450 -7.256 6.035 1.00 0.00 C ATOM 146 C SER A 13 11.405 -7.607 4.899 1.00 0.00 C ATOM 147 O SER A 13 12.567 -7.202 4.903 1.00 0.00 O ATOM 148 CB SER A 13 10.530 -8.321 7.131 1.00 0.00 C ATOM 149 OG SER A 13 10.355 -7.747 8.414 1.00 0.00 O ATOM 0 H SER A 13 8.424 -7.790 5.969 1.00 0.00 H new ATOM 0 HA SER A 13 10.748 -6.293 6.450 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.766 -9.080 6.961 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.496 -8.825 7.083 1.00 0.00 H new ATOM 0 HG SER A 13 10.409 -8.448 9.096 1.00 0.00 H new ATOM 155 N ALA A 14 10.906 -8.364 3.927 1.00 0.00 N ATOM 156 CA ALA A 14 11.714 -8.769 2.783 1.00 0.00 C ATOM 157 C ALA A 14 12.133 -7.563 1.951 1.00 0.00 C ATOM 158 O ALA A 14 13.240 -7.521 1.413 1.00 0.00 O ATOM 159 CB ALA A 14 10.949 -9.766 1.924 1.00 0.00 C ATOM 0 H ALA A 14 9.946 -8.709 3.909 1.00 0.00 H new ATOM 0 HA ALA A 14 12.618 -9.248 3.159 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.564 -10.060 1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.706 -10.647 2.518 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.029 -9.306 1.565 1.00 0.00 H new ATOM 165 N LEU A 15 11.242 -6.583 1.847 1.00 0.00 N ATOM 166 CA LEU A 15 11.520 -5.374 1.080 1.00 0.00 C ATOM 167 C LEU A 15 12.295 -4.363 1.918 1.00 0.00 C ATOM 168 O LEU A 15 13.351 -3.882 1.509 1.00 0.00 O ATOM 169 CB LEU A 15 10.215 -4.750 0.582 1.00 0.00 C ATOM 170 CG LEU A 15 9.332 -5.676 -0.255 1.00 0.00 C ATOM 171 CD1 LEU A 15 7.913 -5.133 -0.333 1.00 0.00 C ATOM 172 CD2 LEU A 15 9.916 -5.850 -1.648 1.00 0.00 C ATOM 0 H LEU A 15 10.321 -6.602 2.284 1.00 0.00 H new ATOM 0 HA LEU A 15 12.133 -5.651 0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.642 -4.408 1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.455 -3.868 -0.012 1.00 0.00 H new ATOM 0 HG LEU A 15 9.299 -6.652 0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.299 -5.805 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.496 -5.059 0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.926 -4.145 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.276 -6.512 -2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.979 -4.879 -2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.913 -6.284 -1.573 1.00 0.00 H new ATOM 184 N GLY A 16 11.762 -4.043 3.093 1.00 0.00 N ATOM 185 CA GLY A 16 12.416 -3.091 3.971 1.00 0.00 C ATOM 186 C GLY A 16 11.503 -1.948 4.371 1.00 0.00 C ATOM 187 O GLY A 16 11.924 -0.792 4.408 1.00 0.00 O ATOM 0 H GLY A 16 10.888 -4.427 3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.762 -3.606 4.867 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.299 -2.690 3.473 1.00 0.00 H new ATOM 191 N LEU A 17 10.249 -2.273 4.668 1.00 0.00 N ATOM 192 CA LEU A 17 9.273 -1.265 5.066 1.00 0.00 C ATOM 193 C LEU A 17 8.290 -1.833 6.086 1.00 0.00 C ATOM 194 O LEU A 17 8.110 -3.047 6.179 1.00 0.00 O ATOM 195 CB LEU A 17 8.514 -0.748 3.844 1.00 0.00 C ATOM 196 CG LEU A 17 8.010 0.692 3.956 1.00 0.00 C ATOM 197 CD1 LEU A 17 9.164 1.673 3.826 1.00 0.00 C ATOM 198 CD2 LEU A 17 6.952 0.969 2.898 1.00 0.00 C ATOM 0 H LEU A 17 9.885 -3.225 4.641 1.00 0.00 H new ATOM 0 HA LEU A 17 9.811 -0.437 5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.165 -0.822 2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.661 -1.402 3.661 1.00 0.00 H new ATOM 0 HG LEU A 17 7.557 0.823 4.939 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.786 2.692 3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.889 1.490 4.619 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.646 1.542 2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.604 1.998 2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.381 0.820 1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.112 0.288 3.036 1.00 0.00 H new ATOM 210 N ARG A 18 7.656 -0.947 6.847 1.00 0.00 N ATOM 211 CA ARG A 18 6.692 -1.359 7.859 1.00 0.00 C ATOM 212 C ARG A 18 5.310 -0.791 7.558 1.00 0.00 C ATOM 213 O ARG A 18 5.158 0.076 6.695 1.00 0.00 O ATOM 214 CB ARG A 18 7.151 -0.907 9.246 1.00 0.00 C ATOM 215 CG ARG A 18 8.133 -1.862 9.905 1.00 0.00 C ATOM 216 CD ARG A 18 9.563 -1.359 9.788 1.00 0.00 C ATOM 217 NE ARG A 18 9.707 0.004 10.294 1.00 0.00 N ATOM 218 CZ ARG A 18 10.795 0.750 10.117 1.00 0.00 C ATOM 219 NH1 ARG A 18 11.835 0.270 9.446 1.00 0.00 N ATOM 220 NH2 ARG A 18 10.843 1.980 10.610 1.00 0.00 N ATOM 0 H ARG A 18 7.793 0.062 6.781 1.00 0.00 H new ATOM 0 HA ARG A 18 6.629 -2.447 7.842 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.614 0.076 9.163 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.278 -0.796 9.890 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.874 -1.984 10.957 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.053 -2.845 9.441 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.227 -2.023 10.341 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.875 -1.393 8.744 1.00 0.00 H new ATOM 0 HE ARG A 18 8.928 0.408 10.814 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.803 -0.675 9.063 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.666 0.846 9.313 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.046 2.355 11.125 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.677 2.552 10.474 1.00 0.00 H new ATOM 234 N LEU A 19 4.303 -1.283 8.272 1.00 0.00 N ATOM 235 CA LEU A 19 2.933 -0.822 8.080 1.00 0.00 C ATOM 236 C LEU A 19 2.740 0.573 8.662 1.00 0.00 C ATOM 237 O LEU A 19 3.430 0.965 9.604 1.00 0.00 O ATOM 238 CB LEU A 19 1.949 -1.799 8.729 1.00 0.00 C ATOM 239 CG LEU A 19 1.892 -3.185 8.084 1.00 0.00 C ATOM 240 CD1 LEU A 19 1.208 -4.176 9.013 1.00 0.00 C ATOM 241 CD2 LEU A 19 1.175 -3.122 6.742 1.00 0.00 C ATOM 0 H LEU A 19 4.410 -2.001 8.989 1.00 0.00 H new ATOM 0 HA LEU A 19 2.739 -0.778 7.008 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.215 -1.915 9.780 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.952 -1.360 8.699 1.00 0.00 H new ATOM 0 HG LEU A 19 2.912 -3.527 7.909 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.176 -5.157 8.539 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.765 -4.243 9.947 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.192 -3.839 9.220 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.145 -4.117 6.299 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.158 -2.759 6.890 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.709 -2.444 6.076 1.00 0.00 H new ATOM 253 N GLY A 20 1.799 1.321 8.096 1.00 0.00 N ATOM 254 CA GLY A 20 1.532 2.666 8.572 1.00 0.00 C ATOM 255 C GLY A 20 2.215 3.724 7.729 1.00 0.00 C ATOM 256 O GLY A 20 1.622 4.757 7.417 1.00 0.00 O ATOM 0 H GLY A 20 1.216 1.020 7.315 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.456 2.842 8.570 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.868 2.756 9.605 1.00 0.00 H new ATOM 260 N ASP A 21 3.466 3.468 7.361 1.00 0.00 N ATOM 261 CA ASP A 21 4.232 4.406 6.549 1.00 0.00 C ATOM 262 C ASP A 21 3.554 4.639 5.203 1.00 0.00 C ATOM 263 O ASP A 21 2.547 4.006 4.886 1.00 0.00 O ATOM 264 CB ASP A 21 5.655 3.884 6.337 1.00 0.00 C ATOM 265 CG ASP A 21 6.674 4.622 7.183 1.00 0.00 C ATOM 266 OD1 ASP A 21 6.854 5.839 6.970 1.00 0.00 O ATOM 267 OD2 ASP A 21 7.291 3.982 8.061 1.00 0.00 O ATOM 0 H ASP A 21 3.971 2.618 7.612 1.00 0.00 H new ATOM 0 HA ASP A 21 4.278 5.357 7.080 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.689 2.821 6.577 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.922 3.981 5.285 1.00 0.00 H new ATOM 272 N ARG A 22 4.114 5.552 4.414 1.00 0.00 N ATOM 273 CA ARG A 22 3.563 5.867 3.101 1.00 0.00 C ATOM 274 C ARG A 22 4.446 5.304 1.992 1.00 0.00 C ATOM 275 O ARG A 22 5.613 4.986 2.215 1.00 0.00 O ATOM 276 CB ARG A 22 3.421 7.382 2.936 1.00 0.00 C ATOM 277 CG ARG A 22 2.166 7.949 3.583 1.00 0.00 C ATOM 278 CD ARG A 22 2.494 8.731 4.846 1.00 0.00 C ATOM 279 NE ARG A 22 1.317 8.925 5.689 1.00 0.00 N ATOM 280 CZ ARG A 22 0.362 9.817 5.435 1.00 0.00 C ATOM 281 NH1 ARG A 22 0.440 10.597 4.364 1.00 0.00 N ATOM 282 NH2 ARG A 22 -0.674 9.930 6.255 1.00 0.00 N ATOM 0 H ARG A 22 4.948 6.085 4.661 1.00 0.00 H new ATOM 0 HA ARG A 22 2.578 5.406 3.026 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.295 7.870 3.368 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.413 7.624 1.873 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.652 8.599 2.875 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.481 7.136 3.825 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.262 8.202 5.411 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.910 9.701 4.574 1.00 0.00 H new ATOM 0 HE ARG A 22 1.221 8.343 6.521 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.235 10.515 3.730 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.295 11.279 4.175 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.739 9.334 7.080 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.406 10.613 6.061 1.00 0.00 H new ATOM 296 N VAL A 23 3.879 5.185 0.795 1.00 0.00 N ATOM 297 CA VAL A 23 4.612 4.661 -0.350 1.00 0.00 C ATOM 298 C VAL A 23 4.413 5.541 -1.579 1.00 0.00 C ATOM 299 O VAL A 23 3.484 6.346 -1.633 1.00 0.00 O ATOM 300 CB VAL A 23 4.178 3.223 -0.686 1.00 0.00 C ATOM 301 CG1 VAL A 23 4.729 2.243 0.339 1.00 0.00 C ATOM 302 CG2 VAL A 23 2.661 3.128 -0.762 1.00 0.00 C ATOM 0 H VAL A 23 2.913 5.445 0.594 1.00 0.00 H new ATOM 0 HA VAL A 23 5.667 4.658 -0.075 1.00 0.00 H new ATOM 0 HB VAL A 23 4.587 2.959 -1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.411 1.232 0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.818 2.291 0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.353 2.502 1.329 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.372 2.104 -1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.230 3.412 0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.293 3.799 -1.538 1.00 0.00 H new ATOM 312 N LEU A 24 5.290 5.381 -2.564 1.00 0.00 N ATOM 313 CA LEU A 24 5.208 6.162 -3.793 1.00 0.00 C ATOM 314 C LEU A 24 4.727 5.300 -4.955 1.00 0.00 C ATOM 315 O LEU A 24 5.358 4.303 -5.306 1.00 0.00 O ATOM 316 CB LEU A 24 6.571 6.776 -4.125 1.00 0.00 C ATOM 317 CG LEU A 24 6.524 8.215 -4.642 1.00 0.00 C ATOM 318 CD1 LEU A 24 5.907 9.136 -3.601 1.00 0.00 C ATOM 319 CD2 LEU A 24 7.918 8.691 -5.019 1.00 0.00 C ATOM 0 H LEU A 24 6.065 4.718 -2.536 1.00 0.00 H new ATOM 0 HA LEU A 24 4.486 6.963 -3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.193 6.748 -3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.061 6.153 -4.873 1.00 0.00 H new ATOM 0 HG LEU A 24 5.899 8.240 -5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.882 10.155 -3.986 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.892 8.807 -3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.505 9.107 -2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.866 9.716 -5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.566 8.651 -4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.323 8.048 -5.800 1.00 0.00 H new ATOM 331 N LEU A 25 3.605 5.692 -5.551 1.00 0.00 N ATOM 332 CA LEU A 25 3.039 4.956 -6.675 1.00 0.00 C ATOM 333 C LEU A 25 3.469 5.573 -8.003 1.00 0.00 C ATOM 334 O LEU A 25 3.163 6.731 -8.289 1.00 0.00 O ATOM 335 CB LEU A 25 1.512 4.934 -6.579 1.00 0.00 C ATOM 336 CG LEU A 25 0.951 4.234 -5.342 1.00 0.00 C ATOM 337 CD1 LEU A 25 -0.530 4.541 -5.179 1.00 0.00 C ATOM 338 CD2 LEU A 25 1.179 2.733 -5.430 1.00 0.00 C ATOM 0 H LEU A 25 3.070 6.515 -5.274 1.00 0.00 H new ATOM 0 HA LEU A 25 3.414 3.933 -6.633 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.148 5.961 -6.593 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.115 4.443 -7.467 1.00 0.00 H new ATOM 0 HG LEU A 25 1.477 4.611 -4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.911 4.034 -4.293 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.669 5.617 -5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.073 4.193 -6.058 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.773 2.251 -4.541 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.680 2.340 -6.316 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.248 2.531 -5.497 1.00 0.00 H new ATOM 350 N ASP A 26 4.181 4.793 -8.809 1.00 0.00 N ATOM 351 CA ASP A 26 4.653 5.262 -10.106 1.00 0.00 C ATOM 352 C ASP A 26 5.585 6.460 -9.948 1.00 0.00 C ATOM 353 O ASP A 26 5.680 7.305 -10.837 1.00 0.00 O ATOM 354 CB ASP A 26 3.468 5.636 -10.999 1.00 0.00 C ATOM 355 CG ASP A 26 3.665 5.196 -12.437 1.00 0.00 C ATOM 356 OD1 ASP A 26 4.807 5.289 -12.935 1.00 0.00 O ATOM 357 OD2 ASP A 26 2.678 4.760 -13.065 1.00 0.00 O ATOM 0 H ASP A 26 4.444 3.833 -8.587 1.00 0.00 H new ATOM 0 HA ASP A 26 5.211 4.452 -10.575 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.561 5.180 -10.604 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.321 6.716 -10.969 1.00 0.00 H new ATOM 362 N GLY A 27 6.269 6.526 -8.810 1.00 0.00 N ATOM 363 CA GLY A 27 7.185 7.625 -8.557 1.00 0.00 C ATOM 364 C GLY A 27 6.506 8.978 -8.640 1.00 0.00 C ATOM 365 O GLY A 27 7.081 9.938 -9.152 1.00 0.00 O ATOM 0 H GLY A 27 6.206 5.839 -8.059 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.628 7.504 -7.568 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.001 7.587 -9.278 1.00 0.00 H new ATOM 369 N GLN A 28 5.279 9.055 -8.136 1.00 0.00 N ATOM 370 CA GLN A 28 4.521 10.301 -8.155 1.00 0.00 C ATOM 371 C GLN A 28 3.464 10.314 -7.056 1.00 0.00 C ATOM 372 O GLN A 28 3.602 11.018 -6.057 1.00 0.00 O ATOM 373 CB GLN A 28 3.857 10.497 -9.520 1.00 0.00 C ATOM 374 CG GLN A 28 4.717 11.264 -10.511 1.00 0.00 C ATOM 375 CD GLN A 28 3.950 12.363 -11.220 1.00 0.00 C ATOM 376 OE1 GLN A 28 4.333 13.533 -11.174 1.00 0.00 O ATOM 377 NE2 GLN A 28 2.860 11.992 -11.882 1.00 0.00 N ATOM 0 H GLN A 28 4.788 8.269 -7.709 1.00 0.00 H new ATOM 0 HA GLN A 28 5.215 11.122 -7.974 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.616 9.521 -9.941 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.914 11.027 -9.383 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.568 11.700 -9.987 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.119 10.571 -11.250 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.579 11.011 -11.894 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.304 12.688 -12.379 1.00 0.00 H new ATOM 386 N LYS A 29 2.410 9.528 -7.247 1.00 0.00 N ATOM 387 CA LYS A 29 1.328 9.449 -6.272 1.00 0.00 C ATOM 388 C LYS A 29 1.847 8.963 -4.922 1.00 0.00 C ATOM 389 O LYS A 29 2.823 8.214 -4.854 1.00 0.00 O ATOM 390 CB LYS A 29 0.226 8.513 -6.775 1.00 0.00 C ATOM 391 CG LYS A 29 -0.868 9.226 -7.553 1.00 0.00 C ATOM 392 CD LYS A 29 -0.585 9.221 -9.048 1.00 0.00 C ATOM 393 CE LYS A 29 -0.635 10.624 -9.631 1.00 0.00 C ATOM 394 NZ LYS A 29 -0.690 10.607 -11.119 1.00 0.00 N ATOM 0 H LYS A 29 2.282 8.936 -8.068 1.00 0.00 H new ATOM 0 HA LYS A 29 0.914 10.449 -6.144 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.672 7.748 -7.410 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.221 8.000 -5.923 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.826 8.742 -7.362 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.954 10.254 -7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.397 8.785 -9.232 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.314 8.589 -9.555 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.508 11.148 -9.242 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.243 11.183 -9.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.723 11.583 -11.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.155 10.130 -11.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.541 10.096 -11.429 1.00 0.00 H new ATOM 408 N THR A 30 1.190 9.395 -3.851 1.00 0.00 N ATOM 409 CA THR A 30 1.584 9.005 -2.503 1.00 0.00 C ATOM 410 C THR A 30 0.437 8.305 -1.781 1.00 0.00 C ATOM 411 O THR A 30 -0.686 8.809 -1.746 1.00 0.00 O ATOM 412 CB THR A 30 2.032 10.231 -1.705 1.00 0.00 C ATOM 413 OG1 THR A 30 1.372 11.396 -2.166 1.00 0.00 O ATOM 414 CG2 THR A 30 3.522 10.486 -1.785 1.00 0.00 C ATOM 0 H THR A 30 0.382 10.016 -3.891 1.00 0.00 H new ATOM 0 HA THR A 30 2.418 8.308 -2.583 1.00 0.00 H new ATOM 0 HB THR A 30 1.773 10.013 -0.669 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.670 12.169 -1.643 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.772 11.369 -1.197 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.060 9.624 -1.391 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.808 10.649 -2.824 1.00 0.00 H new ATOM 422 N GLY A 31 0.727 7.142 -1.207 1.00 0.00 N ATOM 423 CA GLY A 31 -0.291 6.392 -0.495 1.00 0.00 C ATOM 424 C GLY A 31 0.182 5.920 0.866 1.00 0.00 C ATOM 425 O GLY A 31 1.376 5.957 1.162 1.00 0.00 O ATOM 0 H GLY A 31 1.649 6.706 -1.222 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.177 7.014 -0.372 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.587 5.530 -1.092 1.00 0.00 H new ATOM 429 N THR A 32 -0.757 5.474 1.694 1.00 0.00 N ATOM 430 CA THR A 32 -0.430 4.991 3.032 1.00 0.00 C ATOM 431 C THR A 32 -0.635 3.484 3.132 1.00 0.00 C ATOM 432 O THR A 32 -1.765 2.996 3.090 1.00 0.00 O ATOM 433 CB THR A 32 -1.288 5.705 4.077 1.00 0.00 C ATOM 434 OG1 THR A 32 -1.401 7.085 3.775 1.00 0.00 O ATOM 435 CG2 THR A 32 -0.739 5.586 5.483 1.00 0.00 C ATOM 0 H THR A 32 -1.750 5.437 1.463 1.00 0.00 H new ATOM 0 HA THR A 32 0.621 5.209 3.224 1.00 0.00 H new ATOM 0 HB THR A 32 -2.259 5.212 4.040 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.955 7.524 4.454 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.394 6.114 6.175 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.685 4.534 5.765 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.259 6.024 5.522 1.00 0.00 H new ATOM 443 N LEU A 33 0.464 2.749 3.264 1.00 0.00 N ATOM 444 CA LEU A 33 0.405 1.297 3.371 1.00 0.00 C ATOM 445 C LEU A 33 -0.408 0.873 4.590 1.00 0.00 C ATOM 446 O LEU A 33 -0.413 1.557 5.614 1.00 0.00 O ATOM 447 CB LEU A 33 1.817 0.712 3.458 1.00 0.00 C ATOM 448 CG LEU A 33 1.880 -0.809 3.604 1.00 0.00 C ATOM 449 CD1 LEU A 33 1.337 -1.488 2.355 1.00 0.00 C ATOM 450 CD2 LEU A 33 3.307 -1.258 3.880 1.00 0.00 C ATOM 0 H LEU A 33 1.407 3.136 3.299 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.086 0.913 2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.368 0.999 2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.330 1.165 4.307 1.00 0.00 H new ATOM 0 HG LEU A 33 1.258 -1.101 4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.390 -2.570 2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.300 -1.190 2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.932 -1.191 1.491 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.334 -2.343 3.981 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.950 -0.955 3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.661 -0.799 4.803 1.00 0.00 H new ATOM 462 N ARG A 34 -1.095 -0.258 4.473 1.00 0.00 N ATOM 463 CA ARG A 34 -1.913 -0.772 5.567 1.00 0.00 C ATOM 464 C ARG A 34 -1.897 -2.296 5.587 1.00 0.00 C ATOM 465 O ARG A 34 -1.703 -2.912 6.635 1.00 0.00 O ATOM 466 CB ARG A 34 -3.351 -0.267 5.436 1.00 0.00 C ATOM 467 CG ARG A 34 -3.532 1.175 5.884 1.00 0.00 C ATOM 468 CD ARG A 34 -4.873 1.384 6.572 1.00 0.00 C ATOM 469 NE ARG A 34 -4.717 1.940 7.914 1.00 0.00 N ATOM 470 CZ ARG A 34 -4.394 1.217 8.983 1.00 0.00 C ATOM 471 NH1 ARG A 34 -4.189 -0.090 8.873 1.00 0.00 N ATOM 472 NH2 ARG A 34 -4.274 1.803 10.167 1.00 0.00 N ATOM 0 H ARG A 34 -1.102 -0.836 3.633 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.492 -0.410 6.505 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.666 -0.358 4.397 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.007 -0.907 6.025 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.726 1.449 6.565 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.458 1.837 5.021 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.489 2.053 5.971 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.402 0.433 6.633 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.864 2.942 8.039 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.279 -0.546 7.965 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.942 -0.639 9.697 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.429 2.807 10.257 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.026 1.250 10.987 1.00 0.00 H new ATOM 486 N PHE A 35 -2.105 -2.902 4.421 1.00 0.00 N ATOM 487 CA PHE A 35 -2.114 -4.356 4.305 1.00 0.00 C ATOM 488 C PHE A 35 -1.030 -4.832 3.343 1.00 0.00 C ATOM 489 O PHE A 35 -0.661 -4.122 2.407 1.00 0.00 O ATOM 490 CB PHE A 35 -3.485 -4.841 3.829 1.00 0.00 C ATOM 491 CG PHE A 35 -3.576 -6.333 3.678 1.00 0.00 C ATOM 492 CD1 PHE A 35 -3.971 -7.128 4.742 1.00 0.00 C ATOM 493 CD2 PHE A 35 -3.266 -6.940 2.472 1.00 0.00 C ATOM 494 CE1 PHE A 35 -4.054 -8.500 4.605 1.00 0.00 C ATOM 495 CE2 PHE A 35 -3.347 -8.312 2.329 1.00 0.00 C ATOM 496 CZ PHE A 35 -3.742 -9.094 3.398 1.00 0.00 C ATOM 0 H PHE A 35 -2.269 -2.408 3.544 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.909 -4.776 5.290 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.244 -4.509 4.537 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.715 -4.373 2.872 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.217 -6.670 5.689 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.957 -6.334 1.633 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.363 -9.108 5.442 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.102 -8.773 1.383 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.806 -10.167 3.290 1.00 0.00 H new ATOM 506 N CYS A 36 -0.526 -6.039 3.580 1.00 0.00 N ATOM 507 CA CYS A 36 0.514 -6.612 2.735 1.00 0.00 C ATOM 508 C CYS A 36 0.465 -8.136 2.771 1.00 0.00 C ATOM 509 O CYS A 36 0.063 -8.731 3.771 1.00 0.00 O ATOM 510 CB CYS A 36 1.893 -6.124 3.183 1.00 0.00 C ATOM 511 SG CYS A 36 3.248 -6.648 2.107 1.00 0.00 S ATOM 0 H CYS A 36 -0.821 -6.639 4.350 1.00 0.00 H new ATOM 0 HA CYS A 36 0.336 -6.284 1.711 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.883 -5.035 3.232 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.084 -6.487 4.193 1.00 0.00 H new ATOM 0 HG CYS A 36 4.203 -5.767 2.151 1.00 0.00 H new ATOM 517 N GLY A 37 0.874 -8.763 1.673 1.00 0.00 N ATOM 518 CA GLY A 37 0.868 -10.213 1.599 1.00 0.00 C ATOM 519 C GLY A 37 -0.098 -10.737 0.555 1.00 0.00 C ATOM 520 O GLY A 37 -0.464 -10.019 -0.376 1.00 0.00 O ATOM 0 H GLY A 37 1.210 -8.293 0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.873 -10.566 1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.602 -10.622 2.574 1.00 0.00 H new ATOM 524 N THR A 38 -0.511 -11.990 0.710 1.00 0.00 N ATOM 525 CA THR A 38 -1.441 -12.609 -0.228 1.00 0.00 C ATOM 526 C THR A 38 -2.876 -12.196 0.077 1.00 0.00 C ATOM 527 O THR A 38 -3.144 -11.538 1.083 1.00 0.00 O ATOM 528 CB THR A 38 -1.314 -14.133 -0.174 1.00 0.00 C ATOM 529 OG1 THR A 38 -1.148 -14.575 1.162 1.00 0.00 O ATOM 530 CG2 THR A 38 -0.150 -14.665 -0.982 1.00 0.00 C ATOM 0 H THR A 38 -0.217 -12.597 1.475 1.00 0.00 H new ATOM 0 HA THR A 38 -1.189 -12.266 -1.231 1.00 0.00 H new ATOM 0 HB THR A 38 -2.239 -14.516 -0.604 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.070 -15.552 1.176 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.117 -15.751 -0.901 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.274 -14.383 -2.028 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.780 -14.244 -0.600 1.00 0.00 H new ATOM 538 N THR A 39 -3.798 -12.584 -0.799 1.00 0.00 N ATOM 539 CA THR A 39 -5.207 -12.253 -0.624 1.00 0.00 C ATOM 540 C THR A 39 -6.088 -13.473 -0.875 1.00 0.00 C ATOM 541 O THR A 39 -5.620 -14.498 -1.368 1.00 0.00 O ATOM 542 CB THR A 39 -5.607 -11.118 -1.567 1.00 0.00 C ATOM 543 OG1 THR A 39 -5.722 -11.589 -2.899 1.00 0.00 O ATOM 544 CG2 THR A 39 -4.624 -9.968 -1.570 1.00 0.00 C ATOM 0 H THR A 39 -3.594 -13.128 -1.637 1.00 0.00 H new ATOM 0 HA THR A 39 -5.353 -11.928 0.406 1.00 0.00 H new ATOM 0 HB THR A 39 -6.564 -10.755 -1.192 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.389 -11.054 -3.379 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.968 -9.197 -2.260 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.550 -9.550 -0.566 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.645 -10.327 -1.886 1.00 0.00 H new ATOM 552 N GLU A 40 -7.366 -13.353 -0.531 1.00 0.00 N ATOM 553 CA GLU A 40 -8.313 -14.446 -0.720 1.00 0.00 C ATOM 554 C GLU A 40 -8.690 -14.592 -2.190 1.00 0.00 C ATOM 555 O GLU A 40 -8.738 -15.701 -2.722 1.00 0.00 O ATOM 556 CB GLU A 40 -9.570 -14.210 0.121 1.00 0.00 C ATOM 557 CG GLU A 40 -9.509 -14.850 1.498 1.00 0.00 C ATOM 558 CD GLU A 40 -9.447 -16.364 1.436 1.00 0.00 C ATOM 559 OE1 GLU A 40 -10.197 -16.955 0.631 1.00 0.00 O ATOM 560 OE2 GLU A 40 -8.649 -16.957 2.191 1.00 0.00 O ATOM 0 H GLU A 40 -7.769 -12.511 -0.120 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.834 -15.369 -0.394 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.725 -13.137 0.235 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.435 -14.602 -0.415 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.634 -14.476 2.030 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.385 -14.549 2.073 1.00 0.00 H new ATOM 567 N PHE A 41 -8.958 -13.466 -2.842 1.00 0.00 N ATOM 568 CA PHE A 41 -9.332 -13.468 -4.252 1.00 0.00 C ATOM 569 C PHE A 41 -8.193 -14.002 -5.114 1.00 0.00 C ATOM 570 O PHE A 41 -8.422 -14.727 -6.083 1.00 0.00 O ATOM 571 CB PHE A 41 -9.711 -12.057 -4.703 1.00 0.00 C ATOM 572 CG PHE A 41 -8.605 -11.055 -4.535 1.00 0.00 C ATOM 573 CD1 PHE A 41 -7.605 -10.940 -5.487 1.00 0.00 C ATOM 574 CD2 PHE A 41 -8.566 -10.228 -3.423 1.00 0.00 C ATOM 575 CE1 PHE A 41 -6.587 -10.019 -5.335 1.00 0.00 C ATOM 576 CE2 PHE A 41 -7.549 -9.306 -3.265 1.00 0.00 C ATOM 577 CZ PHE A 41 -6.558 -9.200 -4.222 1.00 0.00 C ATOM 0 H PHE A 41 -8.923 -12.540 -2.417 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.194 -14.123 -4.373 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.007 -12.087 -5.752 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -10.580 -11.725 -4.136 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.622 -11.578 -6.358 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -9.339 -10.305 -2.672 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.814 -9.939 -6.085 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -7.529 -8.668 -2.394 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.763 -8.479 -4.101 1.00 0.00 H new ATOM 587 N ALA A 42 -6.965 -13.641 -4.756 1.00 0.00 N ATOM 588 CA ALA A 42 -5.791 -14.084 -5.496 1.00 0.00 C ATOM 589 C ALA A 42 -4.611 -14.324 -4.561 1.00 0.00 C ATOM 590 O ALA A 42 -4.429 -13.607 -3.578 1.00 0.00 O ATOM 591 CB ALA A 42 -5.424 -13.063 -6.562 1.00 0.00 C ATOM 0 H ALA A 42 -6.758 -13.042 -3.957 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.033 -15.029 -5.982 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.545 -13.406 -7.108 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.257 -12.944 -7.254 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.206 -12.105 -6.089 1.00 0.00 H new ATOM 597 N SER A 43 -3.810 -15.337 -4.876 1.00 0.00 N ATOM 598 CA SER A 43 -2.646 -15.672 -4.064 1.00 0.00 C ATOM 599 C SER A 43 -1.359 -15.223 -4.749 1.00 0.00 C ATOM 600 O SER A 43 -0.836 -15.913 -5.624 1.00 0.00 O ATOM 601 CB SER A 43 -2.600 -17.179 -3.798 1.00 0.00 C ATOM 602 OG SER A 43 -3.078 -17.482 -2.500 1.00 0.00 O ATOM 0 H SER A 43 -3.946 -15.940 -5.688 1.00 0.00 H new ATOM 0 HA SER A 43 -2.732 -15.146 -3.113 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.202 -17.701 -4.542 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.577 -17.539 -3.906 1.00 0.00 H new ATOM 0 HG SER A 43 -3.040 -18.451 -2.355 1.00 0.00 H new ATOM 608 N GLY A 44 -0.853 -14.064 -4.342 1.00 0.00 N ATOM 609 CA GLY A 44 0.369 -13.542 -4.927 1.00 0.00 C ATOM 610 C GLY A 44 0.959 -12.404 -4.118 1.00 0.00 C ATOM 611 O GLY A 44 1.222 -12.552 -2.924 1.00 0.00 O ATOM 0 H GLY A 44 -1.267 -13.477 -3.618 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.102 -14.345 -5.007 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.164 -13.196 -5.940 1.00 0.00 H new ATOM 615 N GLN A 45 1.167 -11.264 -4.770 1.00 0.00 N ATOM 616 CA GLN A 45 1.730 -10.094 -4.104 1.00 0.00 C ATOM 617 C GLN A 45 0.763 -8.917 -4.165 1.00 0.00 C ATOM 618 O GLN A 45 0.496 -8.374 -5.237 1.00 0.00 O ATOM 619 CB GLN A 45 3.065 -9.709 -4.746 1.00 0.00 C ATOM 620 CG GLN A 45 4.272 -10.309 -4.044 1.00 0.00 C ATOM 621 CD GLN A 45 5.281 -10.892 -5.014 1.00 0.00 C ATOM 622 OE1 GLN A 45 5.647 -10.257 -6.004 1.00 0.00 O ATOM 623 NE2 GLN A 45 5.738 -12.107 -4.734 1.00 0.00 N ATOM 0 H GLN A 45 0.954 -11.125 -5.758 1.00 0.00 H new ATOM 0 HA GLN A 45 1.899 -10.347 -3.057 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.064 -10.030 -5.788 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.158 -8.623 -4.747 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.756 -9.541 -3.441 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.939 -11.089 -3.360 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.407 -12.597 -3.903 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.420 -12.550 -5.350 1.00 0.00 H new ATOM 632 N TRP A 46 0.241 -8.526 -3.007 1.00 0.00 N ATOM 633 CA TRP A 46 -0.697 -7.411 -2.929 1.00 0.00 C ATOM 634 C TRP A 46 -0.477 -6.602 -1.654 1.00 0.00 C ATOM 635 O TRP A 46 -0.105 -7.151 -0.616 1.00 0.00 O ATOM 636 CB TRP A 46 -2.137 -7.925 -2.977 1.00 0.00 C ATOM 637 CG TRP A 46 -2.493 -8.577 -4.278 1.00 0.00 C ATOM 638 CD1 TRP A 46 -2.169 -9.842 -4.677 1.00 0.00 C ATOM 639 CD2 TRP A 46 -3.240 -7.996 -5.353 1.00 0.00 C ATOM 640 NE1 TRP A 46 -2.669 -10.083 -5.935 1.00 0.00 N ATOM 641 CE2 TRP A 46 -3.331 -8.965 -6.370 1.00 0.00 C ATOM 642 CE3 TRP A 46 -3.842 -6.750 -5.554 1.00 0.00 C ATOM 643 CZ2 TRP A 46 -4.000 -8.726 -7.569 1.00 0.00 C ATOM 644 CZ3 TRP A 46 -4.505 -6.515 -6.743 1.00 0.00 C ATOM 645 CH2 TRP A 46 -4.580 -7.499 -7.738 1.00 0.00 C ATOM 0 H TRP A 46 0.451 -8.964 -2.110 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.521 -6.761 -3.786 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.287 -8.640 -2.168 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -2.818 -7.093 -2.798 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -1.603 -10.550 -4.090 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.564 -10.952 -6.459 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.790 -5.985 -4.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -4.058 -9.483 -8.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.974 -5.556 -6.909 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.106 -7.284 -8.656 1.00 0.00 H new ATOM 656 N VAL A 47 -0.710 -5.297 -1.740 1.00 0.00 N ATOM 657 CA VAL A 47 -0.538 -4.413 -0.594 1.00 0.00 C ATOM 658 C VAL A 47 -1.565 -3.287 -0.608 1.00 0.00 C ATOM 659 O VAL A 47 -1.814 -2.673 -1.646 1.00 0.00 O ATOM 660 CB VAL A 47 0.876 -3.802 -0.562 1.00 0.00 C ATOM 661 CG1 VAL A 47 1.922 -4.885 -0.349 1.00 0.00 C ATOM 662 CG2 VAL A 47 1.152 -3.028 -1.841 1.00 0.00 C ATOM 0 H VAL A 47 -1.019 -4.828 -2.592 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.683 -5.022 0.298 1.00 0.00 H new ATOM 0 HB VAL A 47 0.932 -3.107 0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.914 -4.434 -0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.734 -5.391 0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.868 -5.608 -1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.155 -2.604 -1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.077 -3.700 -2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.422 -2.225 -1.945 1.00 0.00 H new ATOM 672 N GLY A 48 -2.161 -3.022 0.551 1.00 0.00 N ATOM 673 CA GLY A 48 -3.155 -1.969 0.649 1.00 0.00 C ATOM 674 C GLY A 48 -2.538 -0.585 0.641 1.00 0.00 C ATOM 675 O GLY A 48 -1.692 -0.271 1.477 1.00 0.00 O ATOM 0 H GLY A 48 -1.973 -3.517 1.423 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.855 -2.056 -0.182 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.730 -2.101 1.565 1.00 0.00 H new ATOM 679 N VAL A 49 -2.963 0.245 -0.307 1.00 0.00 N ATOM 680 CA VAL A 49 -2.448 1.604 -0.421 1.00 0.00 C ATOM 681 C VAL A 49 -3.576 2.626 -0.346 1.00 0.00 C ATOM 682 O VAL A 49 -4.554 2.542 -1.088 1.00 0.00 O ATOM 683 CB VAL A 49 -1.675 1.803 -1.739 1.00 0.00 C ATOM 684 CG1 VAL A 49 -1.010 3.172 -1.769 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.644 0.700 -1.929 1.00 0.00 C ATOM 0 H VAL A 49 -3.663 -0.001 -1.007 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.767 1.756 0.416 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.386 1.750 -2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.469 3.293 -2.708 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.771 3.948 -1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.313 3.256 -0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.109 0.859 -2.865 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.063 0.716 -1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.147 -0.267 -1.958 1.00 0.00 H new ATOM 695 N GLU A 50 -3.432 3.594 0.554 1.00 0.00 N ATOM 696 CA GLU A 50 -4.440 4.634 0.725 1.00 0.00 C ATOM 697 C GLU A 50 -3.971 5.951 0.114 1.00 0.00 C ATOM 698 O GLU A 50 -3.113 6.636 0.672 1.00 0.00 O ATOM 699 CB GLU A 50 -4.756 4.827 2.211 1.00 0.00 C ATOM 700 CG GLU A 50 -6.231 4.667 2.544 1.00 0.00 C ATOM 701 CD GLU A 50 -6.469 4.385 4.014 1.00 0.00 C ATOM 702 OE1 GLU A 50 -6.531 5.352 4.803 1.00 0.00 O ATOM 703 OE2 GLU A 50 -6.593 3.196 4.378 1.00 0.00 O ATOM 0 H GLU A 50 -2.628 3.680 1.175 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.346 4.318 0.207 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.180 4.107 2.793 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.428 5.820 2.518 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.764 5.575 2.261 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.648 3.854 1.950 1.00 0.00 H new ATOM 710 N LEU A 51 -4.537 6.298 -1.038 1.00 0.00 N ATOM 711 CA LEU A 51 -4.176 7.532 -1.726 1.00 0.00 C ATOM 712 C LEU A 51 -4.460 8.749 -0.849 1.00 0.00 C ATOM 713 O LEU A 51 -5.567 8.913 -0.338 1.00 0.00 O ATOM 714 CB LEU A 51 -4.944 7.649 -3.044 1.00 0.00 C ATOM 715 CG LEU A 51 -4.837 6.432 -3.965 1.00 0.00 C ATOM 716 CD1 LEU A 51 -5.663 6.642 -5.224 1.00 0.00 C ATOM 717 CD2 LEU A 51 -3.383 6.159 -4.319 1.00 0.00 C ATOM 0 H LEU A 51 -5.247 5.742 -1.514 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.107 7.501 -1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.996 7.825 -2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.582 8.525 -3.581 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.231 5.564 -3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.575 5.766 -5.867 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.708 6.789 -4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.299 7.521 -5.756 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.325 5.290 -4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.963 7.027 -4.828 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.817 5.964 -3.408 1.00 0.00 H new ATOM 729 N ASP A 52 -3.451 9.597 -0.681 1.00 0.00 N ATOM 730 CA ASP A 52 -3.592 10.798 0.133 1.00 0.00 C ATOM 731 C ASP A 52 -4.593 11.765 -0.492 1.00 0.00 C ATOM 732 O ASP A 52 -5.384 12.394 0.210 1.00 0.00 O ATOM 733 CB ASP A 52 -2.236 11.488 0.300 1.00 0.00 C ATOM 734 CG ASP A 52 -1.299 10.712 1.204 1.00 0.00 C ATOM 735 OD1 ASP A 52 -1.780 10.135 2.201 1.00 0.00 O ATOM 736 OD2 ASP A 52 -0.085 10.679 0.914 1.00 0.00 O ATOM 0 H ASP A 52 -2.528 9.475 -1.097 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.965 10.500 1.113 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.772 11.612 -0.678 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.388 12.486 0.710 1.00 0.00 H new ATOM 741 N GLU A 53 -4.551 11.877 -1.815 1.00 0.00 N ATOM 742 CA GLU A 53 -5.454 12.767 -2.536 1.00 0.00 C ATOM 743 C GLU A 53 -6.859 12.172 -2.611 1.00 0.00 C ATOM 744 O GLU A 53 -7.042 10.968 -2.439 1.00 0.00 O ATOM 745 CB GLU A 53 -4.921 13.035 -3.946 1.00 0.00 C ATOM 746 CG GLU A 53 -4.456 14.466 -4.158 1.00 0.00 C ATOM 747 CD GLU A 53 -4.604 14.921 -5.596 1.00 0.00 C ATOM 748 OE1 GLU A 53 -5.718 14.795 -6.148 1.00 0.00 O ATOM 749 OE2 GLU A 53 -3.605 15.401 -6.173 1.00 0.00 O ATOM 0 H GLU A 53 -3.901 11.363 -2.410 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.508 13.710 -1.992 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.090 12.358 -4.146 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.702 12.804 -4.671 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.029 15.130 -3.510 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.411 14.552 -3.859 1.00 0.00 H new ATOM 756 N PRO A 54 -7.874 13.015 -2.872 1.00 0.00 N ATOM 757 CA PRO A 54 -9.267 12.568 -2.970 1.00 0.00 C ATOM 758 C PRO A 54 -9.523 11.747 -4.231 1.00 0.00 C ATOM 759 O PRO A 54 -10.312 12.139 -5.091 1.00 0.00 O ATOM 760 CB PRO A 54 -10.057 13.876 -3.012 1.00 0.00 C ATOM 761 CG PRO A 54 -9.106 14.874 -3.578 1.00 0.00 C ATOM 762 CD PRO A 54 -7.742 14.468 -3.092 1.00 0.00 C ATOM 0 HA PRO A 54 -9.546 11.914 -2.144 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.948 13.781 -3.633 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.392 14.168 -2.017 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.147 14.878 -4.667 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.355 15.882 -3.246 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.970 14.694 -3.827 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -7.471 14.990 -2.174 1.00 0.00 H new ATOM 770 N GLU A 55 -8.850 10.605 -4.334 1.00 0.00 N ATOM 771 CA GLU A 55 -9.005 9.729 -5.490 1.00 0.00 C ATOM 772 C GLU A 55 -8.945 8.263 -5.073 1.00 0.00 C ATOM 773 O GLU A 55 -8.341 7.921 -4.056 1.00 0.00 O ATOM 774 CB GLU A 55 -7.918 10.021 -6.527 1.00 0.00 C ATOM 775 CG GLU A 55 -8.276 11.149 -7.480 1.00 0.00 C ATOM 776 CD GLU A 55 -7.116 11.552 -8.370 1.00 0.00 C ATOM 777 OE1 GLU A 55 -5.956 11.294 -7.985 1.00 0.00 O ATOM 778 OE2 GLU A 55 -7.368 12.123 -9.451 1.00 0.00 O ATOM 0 H GLU A 55 -8.193 10.265 -3.632 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.982 9.923 -5.933 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.992 10.273 -6.010 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.725 9.116 -7.104 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.116 10.841 -8.102 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.606 12.014 -6.905 1.00 0.00 H new ATOM 785 N GLY A 56 -9.574 7.402 -5.865 1.00 0.00 N ATOM 786 CA GLY A 56 -9.579 5.983 -5.562 1.00 0.00 C ATOM 787 C GLY A 56 -10.703 5.244 -6.264 1.00 0.00 C ATOM 788 O GLY A 56 -10.943 5.450 -7.454 1.00 0.00 O ATOM 0 H GLY A 56 -10.081 7.661 -6.712 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.623 5.548 -5.856 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.674 5.845 -4.485 1.00 0.00 H new ATOM 792 N LYS A 57 -11.393 4.383 -5.524 1.00 0.00 N ATOM 793 CA LYS A 57 -12.499 3.611 -6.081 1.00 0.00 C ATOM 794 C LYS A 57 -13.173 2.768 -5.002 1.00 0.00 C ATOM 795 O LYS A 57 -14.397 2.646 -4.971 1.00 0.00 O ATOM 796 CB LYS A 57 -11.999 2.708 -7.211 1.00 0.00 C ATOM 797 CG LYS A 57 -13.110 2.191 -8.112 1.00 0.00 C ATOM 798 CD LYS A 57 -12.692 2.197 -9.574 1.00 0.00 C ATOM 799 CE LYS A 57 -13.335 1.054 -10.341 1.00 0.00 C ATOM 800 NZ LYS A 57 -13.240 1.250 -11.814 1.00 0.00 N ATOM 0 H LYS A 57 -11.207 4.202 -4.538 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.233 4.311 -6.481 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.280 3.260 -7.815 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.468 1.860 -6.779 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.379 1.178 -7.814 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.000 2.808 -7.985 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.973 3.146 -10.030 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.607 2.119 -9.644 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.851 0.116 -10.068 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.383 0.968 -10.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.690 0.449 -12.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.724 2.132 -12.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.240 1.307 -12.093 1.00 0.00 H new ATOM 814 N ASN A 58 -12.364 2.190 -4.120 1.00 0.00 N ATOM 815 CA ASN A 58 -12.882 1.358 -3.039 1.00 0.00 C ATOM 816 C ASN A 58 -12.707 2.048 -1.691 1.00 0.00 C ATOM 817 O ASN A 58 -11.860 2.929 -1.538 1.00 0.00 O ATOM 818 CB ASN A 58 -12.175 0.002 -3.026 1.00 0.00 C ATOM 819 CG ASN A 58 -12.572 -0.869 -4.202 1.00 0.00 C ATOM 820 OD1 ASN A 58 -13.745 -1.194 -4.381 1.00 0.00 O ATOM 821 ND2 ASN A 58 -11.592 -1.251 -5.013 1.00 0.00 N ATOM 0 H ASN A 58 -11.348 2.282 -4.132 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.947 1.202 -3.213 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -11.096 0.158 -3.041 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.409 -0.518 -2.097 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.799 -1.837 -5.822 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.633 -0.958 -4.827 1.00 0.00 H new ATOM 828 N ASP A 59 -13.514 1.644 -0.715 1.00 0.00 N ATOM 829 CA ASP A 59 -13.447 2.223 0.621 1.00 0.00 C ATOM 830 C ASP A 59 -12.638 1.336 1.562 1.00 0.00 C ATOM 831 O ASP A 59 -12.860 1.334 2.774 1.00 0.00 O ATOM 832 CB ASP A 59 -14.856 2.431 1.180 1.00 0.00 C ATOM 833 CG ASP A 59 -15.351 3.851 0.986 1.00 0.00 C ATOM 834 OD1 ASP A 59 -15.610 4.237 -0.173 1.00 0.00 O ATOM 835 OD2 ASP A 59 -15.479 4.578 1.994 1.00 0.00 O ATOM 0 H ASP A 59 -14.222 0.918 -0.825 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.947 3.189 0.546 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.543 1.740 0.692 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.862 2.189 2.243 1.00 0.00 H new ATOM 840 N GLY A 60 -11.700 0.581 0.999 1.00 0.00 N ATOM 841 CA GLY A 60 -10.873 -0.299 1.805 1.00 0.00 C ATOM 842 C GLY A 60 -11.401 -1.720 1.841 1.00 0.00 C ATOM 843 O GLY A 60 -10.635 -2.669 2.013 1.00 0.00 O ATOM 0 H GLY A 60 -11.498 0.563 -0.001 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.858 -0.302 1.409 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -10.817 0.090 2.822 1.00 0.00 H new ATOM 847 N SER A 61 -12.712 -1.868 1.682 1.00 0.00 N ATOM 848 CA SER A 61 -13.340 -3.185 1.699 1.00 0.00 C ATOM 849 C SER A 61 -13.775 -3.599 0.298 1.00 0.00 C ATOM 850 O SER A 61 -14.235 -2.773 -0.490 1.00 0.00 O ATOM 851 CB SER A 61 -14.545 -3.185 2.641 1.00 0.00 C ATOM 852 OG SER A 61 -14.870 -4.501 3.054 1.00 0.00 O ATOM 0 H SER A 61 -13.360 -1.093 1.540 1.00 0.00 H new ATOM 0 HA SER A 61 -12.606 -3.906 2.059 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.328 -2.570 3.514 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.402 -2.736 2.140 1.00 0.00 H new ATOM 0 HG SER A 61 -14.242 -5.135 2.650 1.00 0.00 H new ATOM 858 N VAL A 62 -13.629 -4.885 -0.005 1.00 0.00 N ATOM 859 CA VAL A 62 -14.007 -5.410 -1.311 1.00 0.00 C ATOM 860 C VAL A 62 -14.742 -6.739 -1.177 1.00 0.00 C ATOM 861 O VAL A 62 -14.224 -7.689 -0.589 1.00 0.00 O ATOM 862 CB VAL A 62 -12.777 -5.606 -2.217 1.00 0.00 C ATOM 863 CG1 VAL A 62 -13.205 -5.964 -3.632 1.00 0.00 C ATOM 864 CG2 VAL A 62 -11.907 -4.358 -2.213 1.00 0.00 C ATOM 0 H VAL A 62 -13.252 -5.582 0.637 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.670 -4.675 -1.767 1.00 0.00 H new ATOM 0 HB VAL A 62 -12.187 -6.433 -1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.322 -6.098 -4.256 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.781 -6.889 -3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -13.819 -5.162 -4.040 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.043 -4.515 -2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -12.485 -3.510 -2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.569 -4.154 -1.197 1.00 0.00 H new ATOM 874 N GLY A 63 -15.951 -6.800 -1.725 1.00 0.00 N ATOM 875 CA GLY A 63 -16.738 -8.017 -1.656 1.00 0.00 C ATOM 876 C GLY A 63 -17.137 -8.369 -0.236 1.00 0.00 C ATOM 877 O GLY A 63 -17.823 -7.596 0.432 1.00 0.00 O ATOM 0 H GLY A 63 -16.400 -6.027 -2.216 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -17.635 -7.901 -2.264 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -16.167 -8.840 -2.084 1.00 0.00 H new ATOM 881 N GLY A 64 -16.708 -9.540 0.224 1.00 0.00 N ATOM 882 CA GLY A 64 -17.034 -9.971 1.571 1.00 0.00 C ATOM 883 C GLY A 64 -15.828 -9.973 2.488 1.00 0.00 C ATOM 884 O GLY A 64 -15.766 -10.746 3.444 1.00 0.00 O ATOM 0 H GLY A 64 -16.141 -10.198 -0.311 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -17.799 -9.314 1.984 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -17.460 -10.973 1.535 1.00 0.00 H new ATOM 888 N VAL A 65 -14.866 -9.102 2.199 1.00 0.00 N ATOM 889 CA VAL A 65 -13.656 -9.006 3.005 1.00 0.00 C ATOM 890 C VAL A 65 -13.137 -7.572 3.047 1.00 0.00 C ATOM 891 O VAL A 65 -13.161 -6.863 2.040 1.00 0.00 O ATOM 892 CB VAL A 65 -12.545 -9.925 2.464 1.00 0.00 C ATOM 893 CG1 VAL A 65 -11.366 -9.961 3.425 1.00 0.00 C ATOM 894 CG2 VAL A 65 -13.084 -11.325 2.217 1.00 0.00 C ATOM 0 H VAL A 65 -14.902 -8.453 1.413 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.922 -9.325 4.013 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.196 -9.522 1.513 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.591 -10.615 3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.964 -8.955 3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -11.697 -10.339 4.393 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.285 -11.960 1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -13.462 -11.740 3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.892 -11.280 1.487 1.00 0.00 H new ATOM 904 N ARG A 66 -12.672 -7.150 4.218 1.00 0.00 N ATOM 905 CA ARG A 66 -12.147 -5.800 4.391 1.00 0.00 C ATOM 906 C ARG A 66 -10.691 -5.835 4.842 1.00 0.00 C ATOM 907 O ARG A 66 -10.290 -6.705 5.615 1.00 0.00 O ATOM 908 CB ARG A 66 -12.991 -5.031 5.410 1.00 0.00 C ATOM 909 CG ARG A 66 -12.527 -3.600 5.627 1.00 0.00 C ATOM 910 CD ARG A 66 -13.314 -2.919 6.736 1.00 0.00 C ATOM 911 NE ARG A 66 -14.285 -1.962 6.212 1.00 0.00 N ATOM 912 CZ ARG A 66 -15.299 -1.471 6.920 1.00 0.00 C ATOM 913 NH1 ARG A 66 -15.480 -1.845 8.180 1.00 0.00 N ATOM 914 NH2 ARG A 66 -16.135 -0.603 6.366 1.00 0.00 N ATOM 0 H ARG A 66 -12.648 -7.723 5.061 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.197 -5.291 3.428 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -14.029 -5.021 5.076 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.967 -5.560 6.363 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.466 -3.595 5.877 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.639 -3.036 4.701 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -13.832 -3.673 7.328 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -12.625 -2.405 7.406 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.180 -1.652 5.246 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -14.840 -2.512 8.611 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.259 -1.465 8.718 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -16.000 -0.312 5.398 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.912 -0.226 6.908 1.00 0.00 H new ATOM 928 N TYR A 67 -9.903 -4.882 4.354 1.00 0.00 N ATOM 929 CA TYR A 67 -8.491 -4.803 4.706 1.00 0.00 C ATOM 930 C TYR A 67 -8.230 -3.633 5.650 1.00 0.00 C ATOM 931 O TYR A 67 -7.331 -3.688 6.489 1.00 0.00 O ATOM 932 CB TYR A 67 -7.636 -4.655 3.446 1.00 0.00 C ATOM 933 CG TYR A 67 -7.945 -5.684 2.381 1.00 0.00 C ATOM 934 CD1 TYR A 67 -9.049 -5.542 1.550 1.00 0.00 C ATOM 935 CD2 TYR A 67 -7.133 -6.798 2.208 1.00 0.00 C ATOM 936 CE1 TYR A 67 -9.335 -6.479 0.576 1.00 0.00 C ATOM 937 CE2 TYR A 67 -7.412 -7.741 1.236 1.00 0.00 C ATOM 938 CZ TYR A 67 -8.514 -7.576 0.423 1.00 0.00 C ATOM 939 OH TYR A 67 -8.795 -8.512 -0.546 1.00 0.00 O ATOM 0 H TYR A 67 -10.219 -4.154 3.714 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.218 -5.727 5.216 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.785 -3.658 3.031 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.584 -4.732 3.720 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -9.695 -4.684 1.667 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.270 -6.930 2.843 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.197 -6.353 -0.062 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.771 -8.602 1.114 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.119 -9.221 -0.522 1.00 0.00 H new ATOM 949 N PHE A 68 -9.021 -2.575 5.507 1.00 0.00 N ATOM 950 CA PHE A 68 -8.875 -1.392 6.346 1.00 0.00 C ATOM 951 C PHE A 68 -10.005 -0.399 6.090 1.00 0.00 C ATOM 952 O PHE A 68 -10.904 -0.659 5.291 1.00 0.00 O ATOM 953 CB PHE A 68 -7.524 -0.721 6.089 1.00 0.00 C ATOM 954 CG PHE A 68 -7.254 -0.455 4.636 1.00 0.00 C ATOM 955 CD1 PHE A 68 -7.759 0.679 4.021 1.00 0.00 C ATOM 956 CD2 PHE A 68 -6.494 -1.339 3.887 1.00 0.00 C ATOM 957 CE1 PHE A 68 -7.512 0.926 2.684 1.00 0.00 C ATOM 958 CE2 PHE A 68 -6.243 -1.096 2.549 1.00 0.00 C ATOM 959 CZ PHE A 68 -6.753 0.038 1.947 1.00 0.00 C ATOM 0 H PHE A 68 -9.770 -2.513 4.817 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.923 -1.709 7.388 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.485 0.221 6.636 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.731 -1.354 6.488 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.352 1.377 4.593 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.093 -2.227 4.353 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -7.912 1.813 2.216 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.649 -1.792 1.975 1.00 0.00 H new ATOM 0 HZ PHE A 68 -6.559 0.230 0.902 1.00 0.00 H new ATOM 969 N ILE A 69 -9.953 0.738 6.775 1.00 0.00 N ATOM 970 CA ILE A 69 -10.970 1.771 6.623 1.00 0.00 C ATOM 971 C ILE A 69 -10.377 3.045 6.032 1.00 0.00 C ATOM 972 O ILE A 69 -9.265 3.444 6.379 1.00 0.00 O ATOM 973 CB ILE A 69 -11.636 2.107 7.970 1.00 0.00 C ATOM 974 CG1 ILE A 69 -10.575 2.450 9.018 1.00 0.00 C ATOM 975 CG2 ILE A 69 -12.496 0.943 8.442 1.00 0.00 C ATOM 976 CD1 ILE A 69 -11.097 3.310 10.148 1.00 0.00 C ATOM 0 H ILE A 69 -9.216 0.968 7.442 1.00 0.00 H new ATOM 0 HA ILE A 69 -11.723 1.374 5.942 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.279 2.976 7.832 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -10.173 1.525 9.432 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -9.748 2.967 8.531 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -12.960 1.196 9.395 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -13.272 0.741 7.703 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -11.873 0.057 8.566 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -10.291 3.513 10.853 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -11.473 4.251 9.746 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -11.904 2.786 10.661 1.00 0.00 H new ATOM 988 N CYS A 70 -11.126 3.680 5.137 1.00 0.00 N ATOM 989 CA CYS A 70 -10.674 4.911 4.497 1.00 0.00 C ATOM 990 C CYS A 70 -11.859 5.738 4.005 1.00 0.00 C ATOM 991 O CYS A 70 -12.923 5.195 3.706 1.00 0.00 O ATOM 992 CB CYS A 70 -9.740 4.589 3.327 1.00 0.00 C ATOM 993 SG CYS A 70 -10.532 3.680 1.980 1.00 0.00 S ATOM 0 H CYS A 70 -12.048 3.363 4.838 1.00 0.00 H new ATOM 0 HA CYS A 70 -10.130 5.497 5.238 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.334 5.521 2.933 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -8.897 4.006 3.698 1.00 0.00 H new ATOM 0 HG CYS A 70 -9.714 2.777 1.526 1.00 0.00 H new ATOM 999 N PRO A 71 -11.691 7.068 3.914 1.00 0.00 N ATOM 1000 CA PRO A 71 -12.752 7.970 3.455 1.00 0.00 C ATOM 1001 C PRO A 71 -13.339 7.539 2.114 1.00 0.00 C ATOM 1002 O PRO A 71 -12.875 6.575 1.506 1.00 0.00 O ATOM 1003 CB PRO A 71 -12.042 9.319 3.319 1.00 0.00 C ATOM 1004 CG PRO A 71 -10.887 9.235 4.256 1.00 0.00 C ATOM 1005 CD PRO A 71 -10.452 7.796 4.251 1.00 0.00 C ATOM 0 HA PRO A 71 -13.597 7.987 4.144 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -11.710 9.490 2.295 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.705 10.144 3.581 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.076 9.889 3.935 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.174 9.552 5.259 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.667 7.616 3.517 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.058 7.492 5.220 1.00 0.00 H new ATOM 1013 N PRO A 72 -14.373 8.251 1.634 1.00 0.00 N ATOM 1014 CA PRO A 72 -15.024 7.938 0.358 1.00 0.00 C ATOM 1015 C PRO A 72 -14.024 7.830 -0.789 1.00 0.00 C ATOM 1016 O PRO A 72 -13.445 8.829 -1.218 1.00 0.00 O ATOM 1017 CB PRO A 72 -15.966 9.123 0.136 1.00 0.00 C ATOM 1018 CG PRO A 72 -16.244 9.647 1.502 1.00 0.00 C ATOM 1019 CD PRO A 72 -14.988 9.417 2.297 1.00 0.00 C ATOM 0 HA PRO A 72 -15.532 6.974 0.386 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.504 9.884 -0.493 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -16.884 8.811 -0.363 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -16.497 10.707 1.470 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.091 9.131 1.953 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.331 10.287 2.271 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -15.207 9.214 3.345 1.00 0.00 H new ATOM 1027 N LYS A 73 -13.825 6.612 -1.282 1.00 0.00 N ATOM 1028 CA LYS A 73 -12.895 6.375 -2.380 1.00 0.00 C ATOM 1029 C LYS A 73 -11.478 6.783 -1.990 1.00 0.00 C ATOM 1030 O LYS A 73 -11.187 7.966 -1.817 1.00 0.00 O ATOM 1031 CB LYS A 73 -13.335 7.146 -3.626 1.00 0.00 C ATOM 1032 CG LYS A 73 -14.722 6.765 -4.119 1.00 0.00 C ATOM 1033 CD LYS A 73 -15.093 7.525 -5.382 1.00 0.00 C ATOM 1034 CE LYS A 73 -15.858 6.646 -6.359 1.00 0.00 C ATOM 1035 NZ LYS A 73 -17.036 7.351 -6.935 1.00 0.00 N ATOM 0 H LYS A 73 -14.295 5.774 -0.939 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.899 5.308 -2.602 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.317 8.214 -3.408 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.614 6.971 -4.425 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.758 5.693 -4.314 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.456 6.972 -3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.699 8.393 -5.121 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.188 7.900 -5.861 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.193 6.334 -7.164 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.190 5.741 -5.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.530 6.718 -7.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.684 7.627 -6.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.718 8.201 -7.443 1.00 0.00 H new ATOM 1049 N GLN A 74 -10.601 5.794 -1.850 1.00 0.00 N ATOM 1050 CA GLN A 74 -9.213 6.051 -1.480 1.00 0.00 C ATOM 1051 C GLN A 74 -8.406 4.757 -1.457 1.00 0.00 C ATOM 1052 O GLN A 74 -7.249 4.728 -1.876 1.00 0.00 O ATOM 1053 CB GLN A 74 -9.148 6.731 -0.110 1.00 0.00 C ATOM 1054 CG GLN A 74 -8.053 7.780 -0.004 1.00 0.00 C ATOM 1055 CD GLN A 74 -8.115 8.559 1.296 1.00 0.00 C ATOM 1056 OE1 GLN A 74 -8.971 9.425 1.474 1.00 0.00 O ATOM 1057 NE2 GLN A 74 -7.206 8.250 2.213 1.00 0.00 N ATOM 0 H GLN A 74 -10.826 4.809 -1.987 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.780 6.713 -2.229 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.110 7.199 0.100 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.988 5.972 0.656 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.081 7.294 -0.086 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.136 8.472 -0.842 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.515 7.525 2.022 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.199 8.738 3.109 1.00 0.00 H new ATOM 1066 N GLY A 75 -9.023 3.688 -0.964 1.00 0.00 N ATOM 1067 CA GLY A 75 -8.347 2.406 -0.896 1.00 0.00 C ATOM 1068 C GLY A 75 -7.901 1.912 -2.259 1.00 0.00 C ATOM 1069 O GLY A 75 -8.710 1.794 -3.179 1.00 0.00 O ATOM 0 H GLY A 75 -9.980 3.687 -0.610 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.479 2.491 -0.242 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.014 1.670 -0.447 1.00 0.00 H new ATOM 1073 N LEU A 76 -6.610 1.623 -2.387 1.00 0.00 N ATOM 1074 CA LEU A 76 -6.057 1.138 -3.647 1.00 0.00 C ATOM 1075 C LEU A 76 -5.060 0.010 -3.405 1.00 0.00 C ATOM 1076 O LEU A 76 -4.005 0.219 -2.804 1.00 0.00 O ATOM 1077 CB LEU A 76 -5.378 2.282 -4.403 1.00 0.00 C ATOM 1078 CG LEU A 76 -5.024 1.975 -5.859 1.00 0.00 C ATOM 1079 CD1 LEU A 76 -6.162 2.381 -6.783 1.00 0.00 C ATOM 1080 CD2 LEU A 76 -3.736 2.683 -6.254 1.00 0.00 C ATOM 0 H LEU A 76 -5.928 1.716 -1.635 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.878 0.749 -4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.034 3.152 -4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.466 2.556 -3.873 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.870 0.900 -5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.892 2.155 -7.814 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.063 1.829 -6.515 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.348 3.450 -6.683 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.499 2.454 -7.293 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.863 3.760 -6.140 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.923 2.343 -5.613 1.00 0.00 H new ATOM 1092 N PHE A 77 -5.398 -1.185 -3.878 1.00 0.00 N ATOM 1093 CA PHE A 77 -4.532 -2.345 -3.714 1.00 0.00 C ATOM 1094 C PHE A 77 -3.723 -2.604 -4.981 1.00 0.00 C ATOM 1095 O PHE A 77 -4.233 -2.469 -6.094 1.00 0.00 O ATOM 1096 CB PHE A 77 -5.360 -3.582 -3.362 1.00 0.00 C ATOM 1097 CG PHE A 77 -6.383 -3.333 -2.291 1.00 0.00 C ATOM 1098 CD1 PHE A 77 -6.054 -3.478 -0.952 1.00 0.00 C ATOM 1099 CD2 PHE A 77 -7.675 -2.954 -2.622 1.00 0.00 C ATOM 1100 CE1 PHE A 77 -6.993 -3.250 0.036 1.00 0.00 C ATOM 1101 CE2 PHE A 77 -8.618 -2.725 -1.638 1.00 0.00 C ATOM 1102 CZ PHE A 77 -8.277 -2.873 -0.308 1.00 0.00 C ATOM 0 H PHE A 77 -6.266 -1.375 -4.378 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.840 -2.137 -2.898 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.865 -3.939 -4.260 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.690 -4.377 -3.035 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.052 -3.773 -0.678 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.947 -2.836 -3.660 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.724 -3.366 1.075 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -9.621 -2.430 -1.909 1.00 0.00 H new ATOM 0 HZ PHE A 77 -9.013 -2.694 0.462 1.00 0.00 H new ATOM 1112 N ALA A 78 -2.460 -2.976 -4.805 1.00 0.00 N ATOM 1113 CA ALA A 78 -1.580 -3.254 -5.934 1.00 0.00 C ATOM 1114 C ALA A 78 -0.423 -4.157 -5.521 1.00 0.00 C ATOM 1115 O ALA A 78 -0.319 -4.557 -4.362 1.00 0.00 O ATOM 1116 CB ALA A 78 -1.053 -1.954 -6.523 1.00 0.00 C ATOM 0 H ALA A 78 -2.022 -3.092 -3.891 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.160 -3.777 -6.694 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.397 -2.176 -7.365 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.889 -1.344 -6.865 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.494 -1.410 -5.762 1.00 0.00 H new ATOM 1122 N SER A 79 0.443 -4.474 -6.477 1.00 0.00 N ATOM 1123 CA SER A 79 1.594 -5.329 -6.212 1.00 0.00 C ATOM 1124 C SER A 79 2.786 -4.505 -5.735 1.00 0.00 C ATOM 1125 O SER A 79 2.962 -3.358 -6.143 1.00 0.00 O ATOM 1126 CB SER A 79 1.970 -6.117 -7.469 1.00 0.00 C ATOM 1127 OG SER A 79 2.248 -7.472 -7.158 1.00 0.00 O ATOM 0 H SER A 79 0.370 -4.152 -7.442 1.00 0.00 H new ATOM 0 HA SER A 79 1.322 -6.029 -5.422 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.155 -6.066 -8.191 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.842 -5.662 -7.940 1.00 0.00 H new ATOM 0 HG SER A 79 1.538 -7.828 -6.583 1.00 0.00 H new ATOM 1133 N VAL A 80 3.601 -5.099 -4.869 1.00 0.00 N ATOM 1134 CA VAL A 80 4.776 -4.420 -4.335 1.00 0.00 C ATOM 1135 C VAL A 80 5.710 -3.970 -5.454 1.00 0.00 C ATOM 1136 O VAL A 80 6.359 -2.929 -5.352 1.00 0.00 O ATOM 1137 CB VAL A 80 5.555 -5.330 -3.368 1.00 0.00 C ATOM 1138 CG1 VAL A 80 4.723 -5.634 -2.132 1.00 0.00 C ATOM 1139 CG2 VAL A 80 5.976 -6.614 -4.066 1.00 0.00 C ATOM 0 H VAL A 80 3.469 -6.049 -4.522 1.00 0.00 H new ATOM 0 HA VAL A 80 4.417 -3.545 -3.793 1.00 0.00 H new ATOM 0 HB VAL A 80 6.455 -4.805 -3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.291 -6.278 -1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.478 -4.703 -1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.803 -6.139 -2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.525 -7.245 -3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.091 -7.145 -4.416 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.614 -6.373 -4.916 1.00 0.00 H new ATOM 1149 N SER A 81 5.774 -4.760 -6.520 1.00 0.00 N ATOM 1150 CA SER A 81 6.629 -4.444 -7.657 1.00 0.00 C ATOM 1151 C SER A 81 6.177 -3.158 -8.343 1.00 0.00 C ATOM 1152 O SER A 81 6.983 -2.450 -8.947 1.00 0.00 O ATOM 1153 CB SER A 81 6.626 -5.598 -8.661 1.00 0.00 C ATOM 1154 OG SER A 81 7.121 -6.788 -8.072 1.00 0.00 O ATOM 0 H SER A 81 5.243 -5.625 -6.620 1.00 0.00 H new ATOM 0 HA SER A 81 7.643 -4.297 -7.284 1.00 0.00 H new ATOM 0 HB2 SER A 81 5.612 -5.764 -9.026 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.237 -5.335 -9.524 1.00 0.00 H new ATOM 0 HG SER A 81 7.107 -7.511 -8.734 1.00 0.00 H new ATOM 1160 N LYS A 82 4.884 -2.862 -8.248 1.00 0.00 N ATOM 1161 CA LYS A 82 4.328 -1.662 -8.863 1.00 0.00 C ATOM 1162 C LYS A 82 4.197 -0.533 -7.844 1.00 0.00 C ATOM 1163 O LYS A 82 3.323 0.325 -7.965 1.00 0.00 O ATOM 1164 CB LYS A 82 2.962 -1.966 -9.479 1.00 0.00 C ATOM 1165 CG LYS A 82 3.039 -2.793 -10.752 1.00 0.00 C ATOM 1166 CD LYS A 82 1.777 -2.649 -11.587 1.00 0.00 C ATOM 1167 CE LYS A 82 1.825 -3.528 -12.826 1.00 0.00 C ATOM 1168 NZ LYS A 82 0.535 -3.513 -13.570 1.00 0.00 N ATOM 0 H LYS A 82 4.203 -3.436 -7.752 1.00 0.00 H new ATOM 0 HA LYS A 82 5.012 -1.340 -9.648 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.353 -2.497 -8.747 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.453 -1.027 -9.696 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.903 -2.480 -11.339 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.190 -3.842 -10.497 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.909 -2.915 -10.984 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.652 -1.607 -11.883 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.626 -3.187 -13.482 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.065 -4.551 -12.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.610 -4.125 -14.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.226 -3.863 -12.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.318 -2.541 -13.870 1.00 0.00 H new ATOM 1182 N ILE A 83 5.070 -0.538 -6.841 1.00 0.00 N ATOM 1183 CA ILE A 83 5.049 0.488 -5.805 1.00 0.00 C ATOM 1184 C ILE A 83 6.444 0.725 -5.237 1.00 0.00 C ATOM 1185 O ILE A 83 7.293 -0.167 -5.253 1.00 0.00 O ATOM 1186 CB ILE A 83 4.096 0.106 -4.654 1.00 0.00 C ATOM 1187 CG1 ILE A 83 2.727 -0.293 -5.206 1.00 0.00 C ATOM 1188 CG2 ILE A 83 3.962 1.261 -3.673 1.00 0.00 C ATOM 1189 CD1 ILE A 83 1.726 -0.666 -4.132 1.00 0.00 C ATOM 0 H ILE A 83 5.800 -1.241 -6.724 1.00 0.00 H new ATOM 0 HA ILE A 83 4.691 1.404 -6.275 1.00 0.00 H new ATOM 0 HB ILE A 83 4.515 -0.749 -4.124 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.326 0.533 -5.793 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.850 -1.137 -5.885 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.286 0.977 -2.866 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.941 1.502 -3.259 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.562 2.133 -4.190 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.778 -0.938 -4.597 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.105 -1.512 -3.559 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.573 0.183 -3.466 1.00 0.00 H new ATOM 1201 N SER A 84 6.674 1.934 -4.733 1.00 0.00 N ATOM 1202 CA SER A 84 7.966 2.291 -4.158 1.00 0.00 C ATOM 1203 C SER A 84 7.844 2.530 -2.656 1.00 0.00 C ATOM 1204 O SER A 84 6.741 2.569 -2.113 1.00 0.00 O ATOM 1205 CB SER A 84 8.525 3.540 -4.841 1.00 0.00 C ATOM 1206 OG SER A 84 8.547 3.384 -6.250 1.00 0.00 O ATOM 0 H SER A 84 5.982 2.683 -4.711 1.00 0.00 H new ATOM 0 HA SER A 84 8.651 1.459 -4.322 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.917 4.405 -4.577 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.534 3.736 -4.478 1.00 0.00 H new ATOM 0 HG SER A 84 8.907 4.196 -6.663 1.00 0.00 H new ATOM 1212 N LYS A 85 8.985 2.686 -1.992 1.00 0.00 N ATOM 1213 CA LYS A 85 9.004 2.919 -0.553 1.00 0.00 C ATOM 1214 C LYS A 85 9.199 4.401 -0.242 1.00 0.00 C ATOM 1215 O LYS A 85 10.028 4.767 0.592 1.00 0.00 O ATOM 1216 CB LYS A 85 10.114 2.096 0.103 1.00 0.00 C ATOM 1217 CG LYS A 85 11.440 2.158 -0.639 1.00 0.00 C ATOM 1218 CD LYS A 85 12.596 1.719 0.245 1.00 0.00 C ATOM 1219 CE LYS A 85 13.568 0.828 -0.511 1.00 0.00 C ATOM 1220 NZ LYS A 85 14.691 0.371 0.355 1.00 0.00 N ATOM 0 H LYS A 85 9.907 2.655 -2.427 1.00 0.00 H new ATOM 0 HA LYS A 85 8.042 2.607 -0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.262 2.450 1.123 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.793 1.056 0.169 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.394 1.521 -1.522 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.615 3.175 -0.989 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.122 2.597 0.620 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.209 1.184 1.112 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.036 -0.039 -0.903 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.968 1.371 -1.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.331 -0.234 -0.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.215 1.197 0.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.312 -0.169 1.159 1.00 0.00 H new ATOM 1234 N ALA A 86 8.430 5.248 -0.916 1.00 0.00 N ATOM 1235 CA ALA A 86 8.516 6.690 -0.712 1.00 0.00 C ATOM 1236 C ALA A 86 9.922 7.203 -1.002 1.00 0.00 C ATOM 1237 O ALA A 86 10.775 7.241 -0.115 1.00 0.00 O ATOM 1238 CB ALA A 86 8.105 7.046 0.709 1.00 0.00 C ATOM 0 H ALA A 86 7.739 4.961 -1.609 1.00 0.00 H new ATOM 0 HA ALA A 86 7.831 7.173 -1.409 1.00 0.00 H new ATOM 0 HB1 ALA A 86 8.174 8.125 0.848 1.00 0.00 H new ATOM 0 HB2 ALA A 86 7.079 6.722 0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 86 8.768 6.546 1.415 1.00 0.00 H new