USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 712 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 35 CYS SG : rot 2:sc= 0.00629 USER MOD Set 1.2: A 85 CYS SG : rot 117:sc= 0.567 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 163:sc= -0.0114 (180deg=-0.22) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -45:sc= -0.0557 USER MOD Single : A 47 THR OG1 : rot -6:sc= 0.643 USER MOD Single : A 48 LYS NZ :NH3+ 139:sc= -0.0156 (180deg=-0.538) USER MOD Single : A 56 SER OG : rot -80:sc= 0.516 USER MOD Single : A 62 GLN : amide:sc= -0.603 K(o=-0.6,f=-1.3!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -4.12 X(o=-4.1,f=-4.3!) USER MOD Single : A 80 SER OG : rot -77:sc= 1.07 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 140:sc= -0.914 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 130 N TRP A 13 11.316 -14.099 -4.228 1.00 0.00 N ATOM 131 CA TRP A 13 11.387 -12.747 -4.769 1.00 0.00 C ATOM 132 C TRP A 13 11.213 -11.709 -3.666 1.00 0.00 C ATOM 133 O TRP A 13 12.058 -10.830 -3.489 1.00 0.00 O ATOM 134 CB TRP A 13 10.319 -12.549 -5.846 1.00 0.00 C ATOM 135 CG TRP A 13 10.723 -13.078 -7.188 1.00 0.00 C ATOM 136 CD1 TRP A 13 10.195 -14.158 -7.836 1.00 0.00 C ATOM 137 CD2 TRP A 13 11.741 -12.551 -8.046 1.00 0.00 C ATOM 138 NE1 TRP A 13 10.825 -14.335 -9.045 1.00 0.00 N ATOM 139 CE2 TRP A 13 11.776 -13.361 -9.198 1.00 0.00 C ATOM 140 CE3 TRP A 13 12.626 -11.473 -7.954 1.00 0.00 C ATOM 141 CZ2 TRP A 13 12.661 -13.126 -10.246 1.00 0.00 C ATOM 142 CZ3 TRP A 13 13.504 -11.241 -8.995 1.00 0.00 C ATOM 143 CH2 TRP A 13 13.516 -12.064 -10.129 1.00 0.00 C ATOM 0 HA TRP A 13 12.372 -12.613 -5.216 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.400 -13.043 -5.531 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.096 -11.486 -5.935 1.00 0.00 H new ATOM 0 HD1 TRP A 13 9.400 -14.781 -7.455 1.00 0.00 H new ATOM 0 HE1 TRP A 13 10.618 -15.072 -9.719 1.00 0.00 H new ATOM 0 HE3 TRP A 13 12.623 -10.833 -7.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 12.673 -13.759 -11.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 14.193 -10.411 -8.934 1.00 0.00 H new ATOM 0 HH2 TRP A 13 14.214 -11.856 -10.927 1.00 0.00 H new ATOM 154 N ILE A 14 10.114 -11.815 -2.927 1.00 0.00 N ATOM 155 CA ILE A 14 9.832 -10.886 -1.840 1.00 0.00 C ATOM 156 C ILE A 14 10.767 -11.121 -0.659 1.00 0.00 C ATOM 157 O ILE A 14 10.490 -11.945 0.213 1.00 0.00 O ATOM 158 CB ILE A 14 8.374 -11.009 -1.359 1.00 0.00 C ATOM 159 CG1 ILE A 14 7.408 -10.773 -2.522 1.00 0.00 C ATOM 160 CG2 ILE A 14 8.104 -10.025 -0.231 1.00 0.00 C ATOM 161 CD1 ILE A 14 6.078 -11.472 -2.353 1.00 0.00 C ATOM 0 H ILE A 14 9.404 -12.535 -3.061 1.00 0.00 H new ATOM 0 HA ILE A 14 9.993 -9.882 -2.233 1.00 0.00 H new ATOM 0 HB ILE A 14 8.216 -12.019 -0.980 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.236 -9.702 -2.629 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.874 -11.115 -3.446 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.070 -10.124 0.098 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.772 -10.236 0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.276 -9.009 -0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.444 -11.261 -3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.239 -12.547 -2.276 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.591 -11.113 -1.447 1.00 0.00 H new ATOM 173 N VAL A 15 11.877 -10.390 -0.636 1.00 0.00 N ATOM 174 CA VAL A 15 12.853 -10.516 0.440 1.00 0.00 C ATOM 175 C VAL A 15 12.300 -9.968 1.751 1.00 0.00 C ATOM 176 O VAL A 15 12.679 -10.416 2.833 1.00 0.00 O ATOM 177 CB VAL A 15 14.162 -9.779 0.100 1.00 0.00 C ATOM 178 CG1 VAL A 15 13.936 -8.275 0.069 1.00 0.00 C ATOM 179 CG2 VAL A 15 15.253 -10.143 1.096 1.00 0.00 C ATOM 0 H VAL A 15 12.123 -9.704 -1.350 1.00 0.00 H new ATOM 0 HA VAL A 15 13.063 -11.580 0.554 1.00 0.00 H new ATOM 0 HB VAL A 15 14.488 -10.093 -0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.872 -7.771 -0.173 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.189 -8.035 -0.687 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.585 -7.940 1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.171 -9.613 0.840 1.00 0.00 H new ATOM 0 HG22 VAL A 15 14.938 -9.860 2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 15 15.433 -11.217 1.062 1.00 0.00 H new ATOM 189 N TYR A 16 11.402 -8.995 1.646 1.00 0.00 N ATOM 190 CA TYR A 16 10.797 -8.383 2.824 1.00 0.00 C ATOM 191 C TYR A 16 9.551 -7.589 2.445 1.00 0.00 C ATOM 192 O TYR A 16 9.468 -6.985 1.375 1.00 0.00 O ATOM 193 CB TYR A 16 11.805 -7.469 3.524 1.00 0.00 C ATOM 194 CG TYR A 16 11.164 -6.452 4.440 1.00 0.00 C ATOM 195 CD1 TYR A 16 10.379 -5.425 3.930 1.00 0.00 C ATOM 196 CD2 TYR A 16 11.345 -6.516 5.816 1.00 0.00 C ATOM 197 CE1 TYR A 16 9.792 -4.493 4.763 1.00 0.00 C ATOM 198 CE2 TYR A 16 10.761 -5.588 6.657 1.00 0.00 C ATOM 199 CZ TYR A 16 9.986 -4.579 6.126 1.00 0.00 C ATOM 200 OH TYR A 16 9.403 -3.652 6.960 1.00 0.00 O ATOM 0 H TYR A 16 11.077 -8.613 0.758 1.00 0.00 H new ATOM 0 HA TYR A 16 10.504 -9.180 3.507 1.00 0.00 H new ATOM 0 HB2 TYR A 16 12.498 -8.081 4.102 1.00 0.00 H new ATOM 0 HB3 TYR A 16 12.394 -6.947 2.770 1.00 0.00 H new ATOM 0 HD1 TYR A 16 10.225 -5.354 2.863 1.00 0.00 H new ATOM 0 HD2 TYR A 16 11.952 -7.304 6.235 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.185 -3.701 4.350 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.911 -5.653 7.725 1.00 0.00 H new ATOM 0 HH TYR A 16 9.637 -3.855 7.890 1.00 0.00 H new ATOM 210 N PRO A 17 8.556 -7.588 3.345 1.00 0.00 N ATOM 211 CA PRO A 17 8.642 -8.303 4.622 1.00 0.00 C ATOM 212 C PRO A 17 8.609 -9.817 4.442 1.00 0.00 C ATOM 213 O PRO A 17 8.257 -10.317 3.373 1.00 0.00 O ATOM 214 CB PRO A 17 7.400 -7.827 5.379 1.00 0.00 C ATOM 215 CG PRO A 17 6.437 -7.427 4.315 1.00 0.00 C ATOM 216 CD PRO A 17 7.270 -6.889 3.185 1.00 0.00 C ATOM 0 HA PRO A 17 9.578 -8.099 5.141 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.991 -8.619 6.006 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.634 -6.990 6.036 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.840 -8.278 3.989 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.742 -6.672 4.682 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.816 -7.099 2.216 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.389 -5.808 3.253 1.00 0.00 H new ATOM 224 N SER A 18 8.977 -10.541 5.493 1.00 0.00 N ATOM 225 CA SER A 18 8.993 -11.999 5.450 1.00 0.00 C ATOM 226 C SER A 18 7.883 -12.580 6.321 1.00 0.00 C ATOM 227 O SER A 18 8.147 -13.229 7.332 1.00 0.00 O ATOM 228 CB SER A 18 10.351 -12.529 5.913 1.00 0.00 C ATOM 229 OG SER A 18 10.428 -13.936 5.760 1.00 0.00 O ATOM 0 H SER A 18 9.268 -10.142 6.386 1.00 0.00 H new ATOM 0 HA SER A 18 8.822 -12.310 4.419 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.146 -12.053 5.338 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.511 -12.264 6.958 1.00 0.00 H new ATOM 0 HG SER A 18 11.306 -14.250 6.061 1.00 0.00 H new ATOM 235 N GLY A 19 6.638 -12.342 5.919 1.00 0.00 N ATOM 236 CA GLY A 19 5.506 -12.848 6.673 1.00 0.00 C ATOM 237 C GLY A 19 4.305 -11.926 6.605 1.00 0.00 C ATOM 238 O GLY A 19 4.123 -11.202 5.625 1.00 0.00 O ATOM 0 H GLY A 19 6.393 -11.808 5.085 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.228 -13.830 6.290 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.798 -12.983 7.714 1.00 0.00 H new ATOM 242 N LYS A 20 3.481 -11.951 7.647 1.00 0.00 N ATOM 243 CA LYS A 20 2.290 -11.112 7.702 1.00 0.00 C ATOM 244 C LYS A 20 2.617 -9.742 8.289 1.00 0.00 C ATOM 245 O LYS A 20 3.467 -9.621 9.171 1.00 0.00 O ATOM 246 CB LYS A 20 1.202 -11.790 8.537 1.00 0.00 C ATOM 247 CG LYS A 20 0.387 -12.810 7.761 1.00 0.00 C ATOM 248 CD LYS A 20 -0.826 -12.172 7.105 1.00 0.00 C ATOM 249 CE LYS A 20 -1.829 -13.220 6.648 1.00 0.00 C ATOM 250 NZ LYS A 20 -2.509 -13.876 7.799 1.00 0.00 N ATOM 0 H LYS A 20 3.617 -12.544 8.466 1.00 0.00 H new ATOM 0 HA LYS A 20 1.925 -10.974 6.684 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.666 -12.282 9.392 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.532 -11.027 8.933 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.013 -13.273 6.998 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.063 -13.605 8.433 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.305 -11.491 7.808 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.507 -11.575 6.250 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.574 -12.753 6.004 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.319 -13.975 6.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.367 -14.359 7.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.867 -14.570 8.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.769 -13.157 8.504 1.00 0.00 H new ATOM 264 N VAL A 21 1.935 -8.714 7.796 1.00 0.00 N ATOM 265 CA VAL A 21 2.151 -7.353 8.273 1.00 0.00 C ATOM 266 C VAL A 21 0.826 -6.638 8.512 1.00 0.00 C ATOM 267 O VAL A 21 -0.007 -6.536 7.611 1.00 0.00 O ATOM 268 CB VAL A 21 2.992 -6.535 7.276 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.150 -5.102 7.760 1.00 0.00 C ATOM 270 CG2 VAL A 21 4.349 -7.188 7.062 1.00 0.00 C ATOM 0 H VAL A 21 1.228 -8.797 7.066 1.00 0.00 H new ATOM 0 HA VAL A 21 2.694 -7.430 9.215 1.00 0.00 H new ATOM 0 HB VAL A 21 2.470 -6.514 6.319 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.747 -4.539 7.042 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.167 -4.640 7.856 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.649 -5.098 8.729 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.930 -6.596 6.354 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.881 -7.242 8.012 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.210 -8.194 6.666 1.00 0.00 H new ATOM 280 N TYR A 22 0.638 -6.143 9.730 1.00 0.00 N ATOM 281 CA TYR A 22 -0.587 -5.438 10.088 1.00 0.00 C ATOM 282 C TYR A 22 -0.368 -3.928 10.084 1.00 0.00 C ATOM 283 O TYR A 22 0.654 -3.436 10.563 1.00 0.00 O ATOM 284 CB TYR A 22 -1.077 -5.890 11.465 1.00 0.00 C ATOM 285 CG TYR A 22 -1.837 -7.196 11.438 1.00 0.00 C ATOM 286 CD1 TYR A 22 -1.312 -8.317 10.808 1.00 0.00 C ATOM 287 CD2 TYR A 22 -3.082 -7.310 12.045 1.00 0.00 C ATOM 288 CE1 TYR A 22 -2.004 -9.512 10.780 1.00 0.00 C ATOM 289 CE2 TYR A 22 -3.781 -8.502 12.024 1.00 0.00 C ATOM 290 CZ TYR A 22 -3.238 -9.600 11.390 1.00 0.00 C ATOM 291 OH TYR A 22 -3.930 -10.789 11.366 1.00 0.00 O ATOM 0 H TYR A 22 1.318 -6.217 10.486 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.345 -5.679 9.343 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.220 -5.992 12.131 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.718 -5.115 11.886 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.345 -8.253 10.331 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.511 -6.452 12.542 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.581 -10.373 10.283 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.747 -8.573 12.501 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.780 -10.682 11.841 1.00 0.00 H new ATOM 301 N VAL A 23 -1.336 -3.198 9.541 1.00 0.00 N ATOM 302 CA VAL A 23 -1.251 -1.744 9.475 1.00 0.00 C ATOM 303 C VAL A 23 -2.614 -1.102 9.714 1.00 0.00 C ATOM 304 O VAL A 23 -3.600 -1.457 9.069 1.00 0.00 O ATOM 305 CB VAL A 23 -0.707 -1.274 8.113 1.00 0.00 C ATOM 306 CG1 VAL A 23 -0.582 0.242 8.082 1.00 0.00 C ATOM 307 CG2 VAL A 23 0.632 -1.933 7.819 1.00 0.00 C ATOM 0 H VAL A 23 -2.188 -3.589 9.140 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.562 -1.432 10.260 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.412 -1.572 7.337 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.196 0.556 7.112 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.562 0.691 8.245 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.101 0.567 8.867 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.002 -1.590 6.853 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.347 -1.667 8.597 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.507 -3.016 7.796 1.00 0.00 H new ATOM 317 N ALA A 24 -2.661 -0.156 10.646 1.00 0.00 N ATOM 318 CA ALA A 24 -3.902 0.537 10.968 1.00 0.00 C ATOM 319 C ALA A 24 -3.856 1.990 10.506 1.00 0.00 C ATOM 320 O ALA A 24 -2.959 2.743 10.883 1.00 0.00 O ATOM 321 CB ALA A 24 -4.173 0.466 12.464 1.00 0.00 C ATOM 0 H ALA A 24 -1.854 0.148 11.191 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.714 0.040 10.438 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.103 0.988 12.690 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.258 -0.577 12.769 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.352 0.936 13.005 1.00 0.00 H new ATOM 327 N ALA A 25 -4.828 2.376 9.687 1.00 0.00 N ATOM 328 CA ALA A 25 -4.899 3.739 9.174 1.00 0.00 C ATOM 329 C ALA A 25 -6.232 4.390 9.527 1.00 0.00 C ATOM 330 O ALA A 25 -7.135 3.736 10.050 1.00 0.00 O ATOM 331 CB ALA A 25 -4.688 3.748 7.667 1.00 0.00 C ATOM 0 H ALA A 25 -5.578 1.764 9.364 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.105 4.319 9.644 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.744 4.772 7.298 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.708 3.331 7.434 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.461 3.147 7.188 1.00 0.00 H new ATOM 337 N VAL A 26 -6.349 5.682 9.239 1.00 0.00 N ATOM 338 CA VAL A 26 -7.572 6.422 9.526 1.00 0.00 C ATOM 339 C VAL A 26 -8.116 7.093 8.270 1.00 0.00 C ATOM 340 O VAL A 26 -7.383 7.317 7.307 1.00 0.00 O ATOM 341 CB VAL A 26 -7.340 7.494 10.608 1.00 0.00 C ATOM 342 CG1 VAL A 26 -8.626 7.771 11.370 1.00 0.00 C ATOM 343 CG2 VAL A 26 -6.231 7.062 11.555 1.00 0.00 C ATOM 0 H VAL A 26 -5.611 6.238 8.807 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.300 5.699 9.893 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.030 8.418 10.120 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.442 8.531 12.130 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.389 8.127 10.678 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.970 6.854 11.849 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.080 7.831 12.313 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.509 6.125 12.038 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.308 6.920 10.993 1.00 0.00 H new ATOM 353 N ARG A 27 -9.407 7.411 8.288 1.00 0.00 N ATOM 354 CA ARG A 27 -10.050 8.056 7.149 1.00 0.00 C ATOM 355 C ARG A 27 -9.188 9.194 6.611 1.00 0.00 C ATOM 356 O ARG A 27 -8.861 10.136 7.334 1.00 0.00 O ATOM 357 CB ARG A 27 -11.426 8.590 7.549 1.00 0.00 C ATOM 358 CG ARG A 27 -12.382 8.749 6.378 1.00 0.00 C ATOM 359 CD ARG A 27 -13.829 8.586 6.813 1.00 0.00 C ATOM 360 NE ARG A 27 -14.307 9.740 7.569 1.00 0.00 N ATOM 361 CZ ARG A 27 -15.391 9.719 8.337 1.00 0.00 C ATOM 362 NH1 ARG A 27 -16.106 8.608 8.449 1.00 0.00 N ATOM 363 NH2 ARG A 27 -15.762 10.811 8.994 1.00 0.00 N ATOM 0 H ARG A 27 -10.027 7.233 9.078 1.00 0.00 H new ATOM 0 HA ARG A 27 -10.171 7.311 6.362 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.870 7.914 8.280 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.303 9.555 8.040 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -12.245 9.732 5.927 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -12.146 8.011 5.612 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -14.458 8.443 5.934 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -13.925 7.688 7.423 1.00 0.00 H new ATOM 0 HE ARG A 27 -13.780 10.611 7.504 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -15.824 7.767 7.945 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -16.938 8.594 9.039 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -15.215 11.668 8.910 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -16.594 10.794 9.583 1.00 0.00 H new ATOM 377 N LEU A 28 -8.822 9.101 5.337 1.00 0.00 N ATOM 378 CA LEU A 28 -7.997 10.122 4.701 1.00 0.00 C ATOM 379 C LEU A 28 -6.630 10.213 5.371 1.00 0.00 C ATOM 380 O LEU A 28 -6.057 11.296 5.489 1.00 0.00 O ATOM 381 CB LEU A 28 -8.697 11.481 4.759 1.00 0.00 C ATOM 382 CG LEU A 28 -10.167 11.497 4.339 1.00 0.00 C ATOM 383 CD1 LEU A 28 -10.807 12.833 4.683 1.00 0.00 C ATOM 384 CD2 LEU A 28 -10.299 11.208 2.850 1.00 0.00 C ATOM 0 H LEU A 28 -9.084 8.329 4.724 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.852 9.839 3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.627 11.860 5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.150 12.176 4.122 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.690 10.715 4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.853 12.825 4.376 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.745 13.000 5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.282 13.633 4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.352 11.223 2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.761 11.967 2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.879 10.226 2.631 1.00 0.00 H new ATOM 396 N GLU A 29 -6.112 9.068 5.806 1.00 0.00 N ATOM 397 CA GLU A 29 -4.811 9.020 6.463 1.00 0.00 C ATOM 398 C GLU A 29 -3.714 8.645 5.470 1.00 0.00 C ATOM 399 O GLU A 29 -3.978 8.018 4.444 1.00 0.00 O ATOM 400 CB GLU A 29 -4.834 8.015 7.616 1.00 0.00 C ATOM 401 CG GLU A 29 -3.507 7.894 8.345 1.00 0.00 C ATOM 402 CD GLU A 29 -3.189 9.116 9.186 1.00 0.00 C ATOM 403 OE1 GLU A 29 -3.731 10.200 8.884 1.00 0.00 O ATOM 404 OE2 GLU A 29 -2.399 8.988 10.144 1.00 0.00 O ATOM 0 H GLU A 29 -6.573 8.163 5.715 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.596 10.012 6.859 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.605 8.310 8.328 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.116 7.036 7.228 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.528 7.012 8.986 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.710 7.741 7.618 1.00 0.00 H new ATOM 411 N ARG A 30 -2.483 9.036 5.783 1.00 0.00 N ATOM 412 CA ARG A 30 -1.346 8.743 4.918 1.00 0.00 C ATOM 413 C ARG A 30 -0.552 7.553 5.449 1.00 0.00 C ATOM 414 O ARG A 30 -0.060 7.575 6.577 1.00 0.00 O ATOM 415 CB ARG A 30 -0.436 9.967 4.805 1.00 0.00 C ATOM 416 CG ARG A 30 1.005 9.626 4.463 1.00 0.00 C ATOM 417 CD ARG A 30 1.870 9.543 5.711 1.00 0.00 C ATOM 418 NE ARG A 30 2.566 10.799 5.978 1.00 0.00 N ATOM 419 CZ ARG A 30 3.734 11.122 5.434 1.00 0.00 C ATOM 420 NH1 ARG A 30 4.333 10.285 4.597 1.00 0.00 N ATOM 421 NH2 ARG A 30 4.306 12.283 5.726 1.00 0.00 N ATOM 0 H ARG A 30 -2.247 9.556 6.628 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.729 8.491 3.929 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.833 10.635 4.041 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.457 10.513 5.748 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.039 8.675 3.932 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.409 10.382 3.789 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.247 9.284 6.567 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.600 8.742 5.594 1.00 0.00 H new ATOM 0 HE ARG A 30 2.131 11.465 6.617 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.897 9.391 4.370 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.230 10.535 4.180 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.849 12.929 6.369 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.203 12.529 5.307 1.00 0.00 H new ATOM 435 N VAL A 31 -0.431 6.515 4.627 1.00 0.00 N ATOM 436 CA VAL A 31 0.304 5.316 5.013 1.00 0.00 C ATOM 437 C VAL A 31 1.499 5.085 4.095 1.00 0.00 C ATOM 438 O VAL A 31 1.596 5.681 3.023 1.00 0.00 O ATOM 439 CB VAL A 31 -0.601 4.070 4.984 1.00 0.00 C ATOM 440 CG1 VAL A 31 -1.790 4.251 5.915 1.00 0.00 C ATOM 441 CG2 VAL A 31 -1.064 3.781 3.564 1.00 0.00 C ATOM 0 H VAL A 31 -0.832 6.480 3.690 1.00 0.00 H new ATOM 0 HA VAL A 31 0.658 5.475 6.032 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.023 3.215 5.335 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.418 3.361 5.881 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.434 4.405 6.934 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.371 5.117 5.599 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.702 2.897 3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.625 4.635 3.183 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.197 3.604 2.928 1.00 0.00 H new ATOM 451 N VAL A 32 2.407 4.214 4.524 1.00 0.00 N ATOM 452 CA VAL A 32 3.596 3.901 3.740 1.00 0.00 C ATOM 453 C VAL A 32 3.983 2.434 3.889 1.00 0.00 C ATOM 454 O VAL A 32 4.502 2.020 4.926 1.00 0.00 O ATOM 455 CB VAL A 32 4.790 4.780 4.157 1.00 0.00 C ATOM 456 CG1 VAL A 32 6.033 4.403 3.365 1.00 0.00 C ATOM 457 CG2 VAL A 32 4.457 6.253 3.972 1.00 0.00 C ATOM 0 H VAL A 32 2.342 3.713 5.410 1.00 0.00 H new ATOM 0 HA VAL A 32 3.350 4.105 2.698 1.00 0.00 H new ATOM 0 HB VAL A 32 4.995 4.607 5.213 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.866 5.035 3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.281 3.358 3.552 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.844 4.546 2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.312 6.860 4.271 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.225 6.445 2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.595 6.511 4.588 1.00 0.00 H new ATOM 467 N LEU A 33 3.726 1.652 2.846 1.00 0.00 N ATOM 468 CA LEU A 33 4.048 0.229 2.860 1.00 0.00 C ATOM 469 C LEU A 33 5.506 -0.003 2.477 1.00 0.00 C ATOM 470 O LEU A 33 6.038 0.657 1.583 1.00 0.00 O ATOM 471 CB LEU A 33 3.130 -0.531 1.901 1.00 0.00 C ATOM 472 CG LEU A 33 1.845 -1.096 2.509 1.00 0.00 C ATOM 473 CD1 LEU A 33 1.177 -0.061 3.401 1.00 0.00 C ATOM 474 CD2 LEU A 33 0.893 -1.552 1.413 1.00 0.00 C ATOM 0 H LEU A 33 3.296 1.979 1.981 1.00 0.00 H new ATOM 0 HA LEU A 33 3.894 -0.143 3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.858 0.137 1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.695 -1.355 1.465 1.00 0.00 H new ATOM 0 HG LEU A 33 2.104 -1.960 3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.265 -0.480 3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.856 0.218 4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.931 0.822 2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.016 -1.951 1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.640 -0.705 0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.372 -2.327 0.814 1.00 0.00 H new ATOM 486 N THR A 34 6.148 -0.948 3.157 1.00 0.00 N ATOM 487 CA THR A 34 7.544 -1.269 2.887 1.00 0.00 C ATOM 488 C THR A 34 7.682 -2.663 2.288 1.00 0.00 C ATOM 489 O THR A 34 7.325 -3.659 2.919 1.00 0.00 O ATOM 490 CB THR A 34 8.397 -1.186 4.167 1.00 0.00 C ATOM 491 OG1 THR A 34 8.086 0.012 4.887 1.00 0.00 O ATOM 492 CG2 THR A 34 9.880 -1.211 3.832 1.00 0.00 C ATOM 0 H THR A 34 5.723 -1.504 3.899 1.00 0.00 H new ATOM 0 HA THR A 34 7.905 -0.531 2.170 1.00 0.00 H new ATOM 0 HB THR A 34 8.166 -2.052 4.787 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.631 0.056 5.700 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.462 -1.151 4.752 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.120 -2.138 3.311 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.123 -0.362 3.193 1.00 0.00 H new ATOM 500 N CYS A 35 8.202 -2.729 1.067 1.00 0.00 N ATOM 501 CA CYS A 35 8.387 -4.003 0.382 1.00 0.00 C ATOM 502 C CYS A 35 9.709 -4.024 -0.380 1.00 0.00 C ATOM 503 O CYS A 35 9.844 -3.388 -1.424 1.00 0.00 O ATOM 504 CB CYS A 35 7.226 -4.262 -0.579 1.00 0.00 C ATOM 505 SG CYS A 35 6.889 -6.014 -0.874 1.00 0.00 S ATOM 0 H CYS A 35 8.503 -1.915 0.531 1.00 0.00 H new ATOM 0 HA CYS A 35 8.410 -4.792 1.134 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.327 -3.792 -0.181 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.442 -3.779 -1.532 1.00 0.00 H new ATOM 0 HG CYS A 35 7.704 -6.738 -0.166 1.00 0.00 H new ATOM 511 N GLU A 36 10.681 -4.759 0.152 1.00 0.00 N ATOM 512 CA GLU A 36 11.992 -4.860 -0.477 1.00 0.00 C ATOM 513 C GLU A 36 12.083 -6.110 -1.348 1.00 0.00 C ATOM 514 O GLU A 36 11.297 -7.046 -1.195 1.00 0.00 O ATOM 515 CB GLU A 36 13.092 -4.885 0.586 1.00 0.00 C ATOM 516 CG GLU A 36 14.494 -4.752 0.015 1.00 0.00 C ATOM 517 CD GLU A 36 15.452 -4.073 0.973 1.00 0.00 C ATOM 518 OE1 GLU A 36 14.978 -3.357 1.880 1.00 0.00 O ATOM 519 OE2 GLU A 36 16.678 -4.257 0.817 1.00 0.00 O ATOM 0 H GLU A 36 10.585 -5.292 1.016 1.00 0.00 H new ATOM 0 HA GLU A 36 12.130 -3.985 -1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.919 -4.075 1.295 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.024 -5.818 1.145 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.876 -5.742 -0.234 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.451 -4.184 -0.914 1.00 0.00 H new ATOM 526 N LEU A 37 13.046 -6.117 -2.263 1.00 0.00 N ATOM 527 CA LEU A 37 13.241 -7.251 -3.160 1.00 0.00 C ATOM 528 C LEU A 37 14.709 -7.662 -3.208 1.00 0.00 C ATOM 529 O LEU A 37 15.599 -6.853 -2.941 1.00 0.00 O ATOM 530 CB LEU A 37 12.750 -6.905 -4.566 1.00 0.00 C ATOM 531 CG LEU A 37 11.346 -6.306 -4.658 1.00 0.00 C ATOM 532 CD1 LEU A 37 11.050 -5.855 -6.080 1.00 0.00 C ATOM 533 CD2 LEU A 37 10.305 -7.312 -4.189 1.00 0.00 C ATOM 0 H LEU A 37 13.704 -5.350 -2.403 1.00 0.00 H new ATOM 0 HA LEU A 37 12.661 -8.090 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.453 -6.202 -5.012 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.777 -7.811 -5.172 1.00 0.00 H new ATOM 0 HG LEU A 37 11.301 -5.434 -4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 37 10.047 -5.432 -6.126 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.777 -5.100 -6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.114 -6.710 -6.754 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.312 -6.869 -4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.351 -8.203 -4.816 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.505 -7.587 -3.153 1.00 0.00 H new ATOM 545 N CYS A 38 14.955 -8.921 -3.552 1.00 0.00 N ATOM 546 CA CYS A 38 16.316 -9.439 -3.637 1.00 0.00 C ATOM 547 C CYS A 38 16.967 -9.043 -4.958 1.00 0.00 C ATOM 548 O CYS A 38 18.086 -9.458 -5.259 1.00 0.00 O ATOM 549 CB CYS A 38 16.315 -10.961 -3.491 1.00 0.00 C ATOM 550 SG CYS A 38 17.927 -11.664 -3.069 1.00 0.00 S ATOM 0 H CYS A 38 14.230 -9.602 -3.777 1.00 0.00 H new ATOM 0 HA CYS A 38 16.895 -9.004 -2.823 1.00 0.00 H new ATOM 0 HB2 CYS A 38 15.596 -11.241 -2.721 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.971 -11.405 -4.425 1.00 0.00 H new ATOM 0 HG CYS A 38 18.845 -11.124 -3.814 1.00 0.00 H new ATOM 556 N ARG A 39 16.258 -8.239 -5.743 1.00 0.00 N ATOM 557 CA ARG A 39 16.765 -7.789 -7.034 1.00 0.00 C ATOM 558 C ARG A 39 16.322 -6.358 -7.324 1.00 0.00 C ATOM 559 O ARG A 39 15.184 -5.969 -7.060 1.00 0.00 O ATOM 560 CB ARG A 39 16.281 -8.719 -8.148 1.00 0.00 C ATOM 561 CG ARG A 39 17.091 -10.000 -8.268 1.00 0.00 C ATOM 562 CD ARG A 39 18.514 -9.718 -8.725 1.00 0.00 C ATOM 563 NE ARG A 39 19.276 -10.946 -8.929 1.00 0.00 N ATOM 564 CZ ARG A 39 20.602 -11.007 -8.869 1.00 0.00 C ATOM 565 NH1 ARG A 39 21.308 -9.915 -8.611 1.00 0.00 N ATOM 566 NH2 ARG A 39 21.224 -12.162 -9.066 1.00 0.00 N ATOM 0 H ARG A 39 15.331 -7.886 -5.508 1.00 0.00 H new ATOM 0 HA ARG A 39 17.854 -7.813 -6.996 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.237 -8.975 -7.968 1.00 0.00 H new ATOM 0 HB3 ARG A 39 16.319 -8.185 -9.097 1.00 0.00 H new ATOM 0 HG2 ARG A 39 17.111 -10.511 -7.305 1.00 0.00 H new ATOM 0 HG3 ARG A 39 16.607 -10.673 -8.976 1.00 0.00 H new ATOM 0 HD2 ARG A 39 18.490 -9.148 -9.654 1.00 0.00 H new ATOM 0 HD3 ARG A 39 19.017 -9.098 -7.983 1.00 0.00 H new ATOM 0 HE ARG A 39 18.762 -11.804 -9.129 1.00 0.00 H new ATOM 0 HH11 ARG A 39 20.833 -9.025 -8.458 1.00 0.00 H new ATOM 0 HH12 ARG A 39 22.326 -9.965 -8.565 1.00 0.00 H new ATOM 0 HH21 ARG A 39 20.684 -13.005 -9.264 1.00 0.00 H new ATOM 0 HH22 ARG A 39 22.242 -12.207 -9.020 1.00 0.00 H new ATOM 580 N PRO A 40 17.242 -5.555 -7.878 1.00 0.00 N ATOM 581 CA PRO A 40 16.971 -4.154 -8.215 1.00 0.00 C ATOM 582 C PRO A 40 16.003 -4.017 -9.386 1.00 0.00 C ATOM 583 O PRO A 40 15.038 -3.257 -9.319 1.00 0.00 O ATOM 584 CB PRO A 40 18.349 -3.606 -8.593 1.00 0.00 C ATOM 585 CG PRO A 40 19.120 -4.799 -9.044 1.00 0.00 C ATOM 586 CD PRO A 40 18.619 -5.952 -8.218 1.00 0.00 C ATOM 0 HA PRO A 40 16.498 -3.621 -7.391 1.00 0.00 H new ATOM 0 HB2 PRO A 40 18.275 -2.860 -9.384 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.830 -3.122 -7.743 1.00 0.00 H new ATOM 0 HG2 PRO A 40 18.966 -4.984 -10.107 1.00 0.00 H new ATOM 0 HG3 PRO A 40 20.190 -4.650 -8.898 1.00 0.00 H new ATOM 0 HD2 PRO A 40 18.641 -6.887 -8.778 1.00 0.00 H new ATOM 0 HD3 PRO A 40 19.226 -6.101 -7.325 1.00 0.00 H new ATOM 594 N TRP A 41 16.269 -4.757 -10.456 1.00 0.00 N ATOM 595 CA TRP A 41 15.420 -4.718 -11.642 1.00 0.00 C ATOM 596 C TRP A 41 14.236 -5.668 -11.496 1.00 0.00 C ATOM 597 O TRP A 41 13.745 -6.217 -12.481 1.00 0.00 O ATOM 598 CB TRP A 41 16.231 -5.082 -12.886 1.00 0.00 C ATOM 599 CG TRP A 41 17.351 -6.038 -12.607 1.00 0.00 C ATOM 600 CD1 TRP A 41 18.672 -5.730 -12.446 1.00 0.00 C ATOM 601 CD2 TRP A 41 17.247 -7.459 -12.459 1.00 0.00 C ATOM 602 NE1 TRP A 41 19.395 -6.873 -12.206 1.00 0.00 N ATOM 603 CE2 TRP A 41 18.545 -7.947 -12.208 1.00 0.00 C ATOM 604 CE3 TRP A 41 16.185 -8.365 -12.511 1.00 0.00 C ATOM 605 CZ2 TRP A 41 18.805 -9.300 -12.012 1.00 0.00 C ATOM 606 CZ3 TRP A 41 16.445 -9.708 -12.316 1.00 0.00 C ATOM 607 CH2 TRP A 41 17.747 -10.166 -12.068 1.00 0.00 C ATOM 0 H TRP A 41 17.065 -5.391 -10.527 1.00 0.00 H new ATOM 0 HA TRP A 41 15.036 -3.704 -11.751 1.00 0.00 H new ATOM 0 HB2 TRP A 41 15.565 -5.521 -13.629 1.00 0.00 H new ATOM 0 HB3 TRP A 41 16.641 -4.171 -13.323 1.00 0.00 H new ATOM 0 HD1 TRP A 41 19.087 -4.734 -12.500 1.00 0.00 H new ATOM 0 HE1 TRP A 41 20.402 -6.915 -12.051 1.00 0.00 H new ATOM 0 HE3 TRP A 41 15.179 -8.022 -12.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 19.807 -9.654 -11.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 15.631 -10.417 -12.355 1.00 0.00 H new ATOM 0 HH2 TRP A 41 17.918 -11.222 -11.918 1.00 0.00 H new ATOM 618 N ALA A 42 13.783 -5.856 -10.261 1.00 0.00 N ATOM 619 CA ALA A 42 12.655 -6.738 -9.987 1.00 0.00 C ATOM 620 C ALA A 42 11.350 -5.953 -9.917 1.00 0.00 C ATOM 621 O ALA A 42 11.131 -5.179 -8.986 1.00 0.00 O ATOM 622 CB ALA A 42 12.885 -7.502 -8.692 1.00 0.00 C ATOM 0 H ALA A 42 14.180 -5.409 -9.434 1.00 0.00 H new ATOM 0 HA ALA A 42 12.575 -7.452 -10.807 1.00 0.00 H new ATOM 0 HB1 ALA A 42 12.035 -8.157 -8.500 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.792 -8.101 -8.779 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.993 -6.797 -7.868 1.00 0.00 H new ATOM 628 N GLU A 43 10.487 -6.159 -10.907 1.00 0.00 N ATOM 629 CA GLU A 43 9.203 -5.469 -10.956 1.00 0.00 C ATOM 630 C GLU A 43 8.166 -6.186 -10.097 1.00 0.00 C ATOM 631 O GLU A 43 8.175 -7.413 -9.988 1.00 0.00 O ATOM 632 CB GLU A 43 8.706 -5.372 -12.400 1.00 0.00 C ATOM 633 CG GLU A 43 8.082 -6.657 -12.917 1.00 0.00 C ATOM 634 CD GLU A 43 9.113 -7.637 -13.442 1.00 0.00 C ATOM 635 OE1 GLU A 43 9.780 -8.295 -12.616 1.00 0.00 O ATOM 636 OE2 GLU A 43 9.253 -7.746 -14.678 1.00 0.00 O ATOM 0 H GLU A 43 10.653 -6.797 -11.685 1.00 0.00 H new ATOM 0 HA GLU A 43 9.345 -4.464 -10.559 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.973 -4.568 -12.470 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.541 -5.098 -13.045 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.514 -7.128 -12.115 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.375 -6.419 -13.712 1.00 0.00 H new ATOM 643 N VAL A 44 7.273 -5.412 -9.488 1.00 0.00 N ATOM 644 CA VAL A 44 6.228 -5.973 -8.639 1.00 0.00 C ATOM 645 C VAL A 44 4.859 -5.419 -9.015 1.00 0.00 C ATOM 646 O VAL A 44 4.756 -4.417 -9.723 1.00 0.00 O ATOM 647 CB VAL A 44 6.497 -5.679 -7.151 1.00 0.00 C ATOM 648 CG1 VAL A 44 7.881 -6.170 -6.752 1.00 0.00 C ATOM 649 CG2 VAL A 44 6.347 -4.193 -6.866 1.00 0.00 C ATOM 0 H VAL A 44 7.252 -4.395 -9.567 1.00 0.00 H new ATOM 0 HA VAL A 44 6.236 -7.052 -8.797 1.00 0.00 H new ATOM 0 HB VAL A 44 5.760 -6.216 -6.553 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.054 -5.954 -5.698 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.947 -7.245 -6.918 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.635 -5.663 -7.355 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.541 -4.004 -5.810 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.059 -3.633 -7.472 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.333 -3.876 -7.112 1.00 0.00 H new ATOM 659 N ARG A 45 3.809 -6.079 -8.537 1.00 0.00 N ATOM 660 CA ARG A 45 2.444 -5.653 -8.824 1.00 0.00 C ATOM 661 C ARG A 45 1.542 -5.864 -7.611 1.00 0.00 C ATOM 662 O ARG A 45 1.437 -6.974 -7.089 1.00 0.00 O ATOM 663 CB ARG A 45 1.889 -6.422 -10.025 1.00 0.00 C ATOM 664 CG ARG A 45 0.393 -6.240 -10.226 1.00 0.00 C ATOM 665 CD ARG A 45 -0.115 -7.065 -11.398 1.00 0.00 C ATOM 666 NE ARG A 45 0.218 -8.479 -11.257 1.00 0.00 N ATOM 667 CZ ARG A 45 -0.257 -9.429 -12.055 1.00 0.00 C ATOM 668 NH1 ARG A 45 -1.081 -9.117 -13.046 1.00 0.00 N ATOM 669 NH2 ARG A 45 0.093 -10.695 -11.864 1.00 0.00 N ATOM 0 H ARG A 45 3.877 -6.910 -7.950 1.00 0.00 H new ATOM 0 HA ARG A 45 2.464 -4.589 -9.060 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.410 -6.098 -10.926 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.103 -7.483 -9.897 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.135 -6.531 -9.318 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.173 -5.186 -10.399 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.196 -6.954 -11.478 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.314 -6.682 -12.324 1.00 0.00 H new ATOM 0 HE ARG A 45 0.850 -8.753 -10.505 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.352 -8.145 -13.197 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.444 -9.849 -13.657 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.727 -10.940 -11.104 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.273 -11.423 -12.477 1.00 0.00 H new ATOM 683 N TRP A 46 0.896 -4.792 -7.168 1.00 0.00 N ATOM 684 CA TRP A 46 0.004 -4.859 -6.016 1.00 0.00 C ATOM 685 C TRP A 46 -1.414 -5.220 -6.446 1.00 0.00 C ATOM 686 O TRP A 46 -1.969 -4.616 -7.364 1.00 0.00 O ATOM 687 CB TRP A 46 -0.001 -3.524 -5.270 1.00 0.00 C ATOM 688 CG TRP A 46 1.359 -3.098 -4.806 1.00 0.00 C ATOM 689 CD1 TRP A 46 2.357 -2.567 -5.572 1.00 0.00 C ATOM 690 CD2 TRP A 46 1.871 -3.170 -3.471 1.00 0.00 C ATOM 691 NE1 TRP A 46 3.458 -2.304 -4.793 1.00 0.00 N ATOM 692 CE2 TRP A 46 3.185 -2.664 -3.500 1.00 0.00 C ATOM 693 CE3 TRP A 46 1.346 -3.610 -2.253 1.00 0.00 C ATOM 694 CZ2 TRP A 46 3.979 -2.589 -2.359 1.00 0.00 C ATOM 695 CZ3 TRP A 46 2.136 -3.535 -1.121 1.00 0.00 C ATOM 696 CH2 TRP A 46 3.440 -3.027 -1.180 1.00 0.00 C ATOM 0 H TRP A 46 0.973 -3.866 -7.589 1.00 0.00 H new ATOM 0 HA TRP A 46 0.371 -5.639 -5.349 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.413 -2.753 -5.922 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.664 -3.600 -4.408 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.291 -2.381 -6.634 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.336 -1.905 -5.124 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.341 -4.002 -2.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 4.985 -2.199 -2.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 1.741 -3.874 -0.175 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.031 -2.980 -0.278 1.00 0.00 H new ATOM 707 N THR A 47 -1.997 -6.210 -5.776 1.00 0.00 N ATOM 708 CA THR A 47 -3.350 -6.652 -6.089 1.00 0.00 C ATOM 709 C THR A 47 -4.255 -6.561 -4.866 1.00 0.00 C ATOM 710 O THR A 47 -3.927 -7.078 -3.798 1.00 0.00 O ATOM 711 CB THR A 47 -3.360 -8.099 -6.616 1.00 0.00 C ATOM 712 OG1 THR A 47 -2.626 -8.949 -5.727 1.00 0.00 O ATOM 713 CG2 THR A 47 -2.757 -8.173 -8.010 1.00 0.00 C ATOM 0 H THR A 47 -1.553 -6.721 -5.013 1.00 0.00 H new ATOM 0 HA THR A 47 -3.728 -5.988 -6.866 1.00 0.00 H new ATOM 0 HB THR A 47 -4.395 -8.435 -6.668 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.195 -8.405 -5.036 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.775 -9.205 -8.360 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.336 -7.549 -8.690 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.727 -7.818 -7.980 1.00 0.00 H new ATOM 721 N LYS A 48 -5.398 -5.903 -5.029 1.00 0.00 N ATOM 722 CA LYS A 48 -6.353 -5.746 -3.939 1.00 0.00 C ATOM 723 C LYS A 48 -7.520 -6.716 -4.094 1.00 0.00 C ATOM 724 O LYS A 48 -8.501 -6.417 -4.776 1.00 0.00 O ATOM 725 CB LYS A 48 -6.874 -4.307 -3.892 1.00 0.00 C ATOM 726 CG LYS A 48 -7.390 -3.891 -2.526 1.00 0.00 C ATOM 727 CD LYS A 48 -7.394 -2.380 -2.368 1.00 0.00 C ATOM 728 CE LYS A 48 -8.356 -1.936 -1.277 1.00 0.00 C ATOM 729 NZ LYS A 48 -9.776 -2.035 -1.716 1.00 0.00 N ATOM 0 H LYS A 48 -5.685 -5.470 -5.907 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.839 -5.970 -3.004 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.074 -3.630 -4.190 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.675 -4.195 -4.623 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.400 -4.275 -2.385 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.768 -4.337 -1.750 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.388 -2.035 -2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.674 -1.915 -3.313 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.207 -2.550 -0.389 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.134 -0.907 -0.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.355 -2.409 -0.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.123 -1.092 -1.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.843 -2.674 -2.534 1.00 0.00 H new ATOM 743 N ASP A 49 -7.408 -7.876 -3.457 1.00 0.00 N ATOM 744 CA ASP A 49 -8.455 -8.888 -3.522 1.00 0.00 C ATOM 745 C ASP A 49 -8.499 -9.536 -4.902 1.00 0.00 C ATOM 746 O ASP A 49 -9.572 -9.824 -5.430 1.00 0.00 O ATOM 747 CB ASP A 49 -9.814 -8.269 -3.192 1.00 0.00 C ATOM 748 CG ASP A 49 -9.765 -7.389 -1.959 1.00 0.00 C ATOM 749 OD1 ASP A 49 -9.248 -6.257 -2.058 1.00 0.00 O ATOM 750 OD2 ASP A 49 -10.244 -7.832 -0.894 1.00 0.00 O ATOM 0 H ASP A 49 -6.602 -8.139 -2.889 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.227 -9.659 -2.785 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.158 -7.680 -4.042 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.544 -9.064 -3.039 1.00 0.00 H new ATOM 755 N GLY A 50 -7.324 -9.762 -5.482 1.00 0.00 N ATOM 756 CA GLY A 50 -7.251 -10.374 -6.797 1.00 0.00 C ATOM 757 C GLY A 50 -7.133 -9.348 -7.907 1.00 0.00 C ATOM 758 O GLY A 50 -6.494 -9.601 -8.928 1.00 0.00 O ATOM 0 H GLY A 50 -6.422 -9.533 -5.065 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.394 -11.046 -6.835 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.140 -10.982 -6.961 1.00 0.00 H new ATOM 762 N GLU A 51 -7.752 -8.189 -7.708 1.00 0.00 N ATOM 763 CA GLU A 51 -7.715 -7.123 -8.703 1.00 0.00 C ATOM 764 C GLU A 51 -6.394 -6.362 -8.635 1.00 0.00 C ATOM 765 O GLU A 51 -5.819 -6.191 -7.560 1.00 0.00 O ATOM 766 CB GLU A 51 -8.884 -6.159 -8.493 1.00 0.00 C ATOM 767 CG GLU A 51 -10.179 -6.623 -9.139 1.00 0.00 C ATOM 768 CD GLU A 51 -10.007 -6.978 -10.603 1.00 0.00 C ATOM 769 OE1 GLU A 51 -9.698 -6.069 -11.401 1.00 0.00 O ATOM 770 OE2 GLU A 51 -10.181 -8.165 -10.950 1.00 0.00 O ATOM 0 H GLU A 51 -8.285 -7.964 -6.868 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.802 -7.578 -9.690 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.048 -6.028 -7.423 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.616 -5.183 -8.897 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.558 -7.492 -8.601 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.929 -5.838 -9.045 1.00 0.00 H new ATOM 777 N GLU A 52 -5.920 -5.907 -9.791 1.00 0.00 N ATOM 778 CA GLU A 52 -4.667 -5.165 -9.862 1.00 0.00 C ATOM 779 C GLU A 52 -4.899 -3.679 -9.604 1.00 0.00 C ATOM 780 O GLU A 52 -5.623 -3.014 -10.346 1.00 0.00 O ATOM 781 CB GLU A 52 -4.011 -5.359 -11.231 1.00 0.00 C ATOM 782 CG GLU A 52 -2.829 -4.437 -11.476 1.00 0.00 C ATOM 783 CD GLU A 52 -2.538 -4.241 -12.951 1.00 0.00 C ATOM 784 OE1 GLU A 52 -1.894 -5.126 -13.552 1.00 0.00 O ATOM 785 OE2 GLU A 52 -2.954 -3.201 -13.505 1.00 0.00 O ATOM 0 H GLU A 52 -6.384 -6.039 -10.690 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.002 -5.551 -9.090 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.679 -6.393 -11.322 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.757 -5.194 -12.008 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.027 -3.469 -11.017 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.946 -4.847 -10.987 1.00 0.00 H new ATOM 792 N VAL A 53 -4.279 -3.164 -8.547 1.00 0.00 N ATOM 793 CA VAL A 53 -4.417 -1.757 -8.190 1.00 0.00 C ATOM 794 C VAL A 53 -4.015 -0.854 -9.351 1.00 0.00 C ATOM 795 O VAL A 53 -3.036 -1.119 -10.048 1.00 0.00 O ATOM 796 CB VAL A 53 -3.562 -1.404 -6.959 1.00 0.00 C ATOM 797 CG1 VAL A 53 -3.863 -2.353 -5.809 1.00 0.00 C ATOM 798 CG2 VAL A 53 -2.082 -1.434 -7.313 1.00 0.00 C ATOM 0 H VAL A 53 -3.676 -3.700 -7.923 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.468 -1.592 -7.952 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.816 -0.393 -6.639 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.249 -2.088 -4.948 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.917 -2.277 -5.541 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.639 -3.376 -6.113 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.492 -1.182 -6.432 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.811 -2.432 -7.658 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.882 -0.710 -8.103 1.00 0.00 H new ATOM 808 N VAL A 54 -4.779 0.216 -9.553 1.00 0.00 N ATOM 809 CA VAL A 54 -4.502 1.160 -10.628 1.00 0.00 C ATOM 810 C VAL A 54 -4.214 2.552 -10.077 1.00 0.00 C ATOM 811 O VAL A 54 -5.006 3.103 -9.313 1.00 0.00 O ATOM 812 CB VAL A 54 -5.679 1.245 -11.618 1.00 0.00 C ATOM 813 CG1 VAL A 54 -6.921 1.784 -10.925 1.00 0.00 C ATOM 814 CG2 VAL A 54 -5.308 2.109 -12.814 1.00 0.00 C ATOM 0 H VAL A 54 -5.594 0.450 -8.986 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.621 0.791 -11.153 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.901 0.241 -11.980 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.742 1.837 -11.640 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.196 1.121 -10.104 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.716 2.780 -10.533 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.151 2.158 -13.503 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.059 3.114 -12.473 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.448 1.675 -13.324 1.00 0.00 H new ATOM 824 N GLU A 55 -3.076 3.115 -10.470 1.00 0.00 N ATOM 825 CA GLU A 55 -2.684 4.444 -10.014 1.00 0.00 C ATOM 826 C GLU A 55 -3.893 5.371 -9.939 1.00 0.00 C ATOM 827 O GLU A 55 -4.829 5.255 -10.730 1.00 0.00 O ATOM 828 CB GLU A 55 -1.629 5.038 -10.950 1.00 0.00 C ATOM 829 CG GLU A 55 -0.204 4.672 -10.571 1.00 0.00 C ATOM 830 CD GLU A 55 0.719 4.600 -11.772 1.00 0.00 C ATOM 831 OE1 GLU A 55 0.826 5.611 -12.498 1.00 0.00 O ATOM 832 OE2 GLU A 55 1.333 3.535 -11.986 1.00 0.00 O ATOM 0 H GLU A 55 -2.410 2.672 -11.103 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.259 4.347 -9.015 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.824 4.697 -11.967 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.728 6.124 -10.953 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.181 5.408 -9.865 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.204 3.710 -10.059 1.00 0.00 H new ATOM 839 N SER A 56 -3.866 6.292 -8.980 1.00 0.00 N ATOM 840 CA SER A 56 -4.961 7.238 -8.797 1.00 0.00 C ATOM 841 C SER A 56 -4.579 8.325 -7.798 1.00 0.00 C ATOM 842 O SER A 56 -3.576 8.229 -7.091 1.00 0.00 O ATOM 843 CB SER A 56 -6.218 6.508 -8.319 1.00 0.00 C ATOM 844 OG SER A 56 -5.894 5.250 -7.754 1.00 0.00 O ATOM 0 H SER A 56 -3.098 6.403 -8.318 1.00 0.00 H new ATOM 0 HA SER A 56 -5.166 7.709 -9.758 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.738 7.118 -7.581 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.902 6.369 -9.156 1.00 0.00 H new ATOM 0 HG SER A 56 -5.746 4.598 -8.470 1.00 0.00 H new ATOM 850 N PRO A 57 -5.397 9.386 -7.737 1.00 0.00 N ATOM 851 CA PRO A 57 -5.167 10.513 -6.828 1.00 0.00 C ATOM 852 C PRO A 57 -5.389 10.134 -5.368 1.00 0.00 C ATOM 853 O PRO A 57 -5.281 10.975 -4.476 1.00 0.00 O ATOM 854 CB PRO A 57 -6.202 11.547 -7.276 1.00 0.00 C ATOM 855 CG PRO A 57 -7.287 10.747 -7.910 1.00 0.00 C ATOM 856 CD PRO A 57 -6.611 9.567 -8.551 1.00 0.00 C ATOM 0 HA PRO A 57 -4.139 10.872 -6.875 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.578 12.123 -6.430 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.771 12.259 -7.981 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.017 10.423 -7.168 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.826 11.338 -8.651 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.245 8.680 -8.530 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.369 9.761 -9.596 1.00 0.00 H new ATOM 864 N ALA A 58 -5.700 8.864 -5.131 1.00 0.00 N ATOM 865 CA ALA A 58 -5.935 8.374 -3.779 1.00 0.00 C ATOM 866 C ALA A 58 -4.953 7.264 -3.419 1.00 0.00 C ATOM 867 O ALA A 58 -4.883 6.833 -2.267 1.00 0.00 O ATOM 868 CB ALA A 58 -7.367 7.881 -3.637 1.00 0.00 C ATOM 0 H ALA A 58 -5.795 8.156 -5.859 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.777 9.201 -3.087 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.528 7.518 -2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.056 8.700 -3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.545 7.071 -4.344 1.00 0.00 H new ATOM 874 N LEU A 59 -4.198 6.804 -4.410 1.00 0.00 N ATOM 875 CA LEU A 59 -3.220 5.742 -4.198 1.00 0.00 C ATOM 876 C LEU A 59 -1.928 6.033 -4.955 1.00 0.00 C ATOM 877 O LEU A 59 -1.872 5.910 -6.179 1.00 0.00 O ATOM 878 CB LEU A 59 -3.794 4.397 -4.645 1.00 0.00 C ATOM 879 CG LEU A 59 -2.843 3.202 -4.566 1.00 0.00 C ATOM 880 CD1 LEU A 59 -3.612 1.927 -4.253 1.00 0.00 C ATOM 881 CD2 LEU A 59 -2.065 3.053 -5.865 1.00 0.00 C ATOM 0 H LEU A 59 -4.244 7.149 -5.369 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.993 5.698 -3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.671 4.179 -4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.137 4.495 -5.675 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.132 3.380 -3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.919 1.088 -4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.123 2.036 -3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.346 1.743 -5.037 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.393 2.198 -5.791 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.760 2.898 -6.690 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.483 3.957 -6.046 1.00 0.00 H new ATOM 893 N LEU A 60 -0.891 6.417 -4.219 1.00 0.00 N ATOM 894 CA LEU A 60 0.403 6.723 -4.820 1.00 0.00 C ATOM 895 C LEU A 60 1.351 5.534 -4.705 1.00 0.00 C ATOM 896 O LEU A 60 1.548 4.985 -3.620 1.00 0.00 O ATOM 897 CB LEU A 60 1.021 7.950 -4.148 1.00 0.00 C ATOM 898 CG LEU A 60 0.196 9.236 -4.209 1.00 0.00 C ATOM 899 CD1 LEU A 60 0.904 10.361 -3.470 1.00 0.00 C ATOM 900 CD2 LEU A 60 -0.071 9.631 -5.655 1.00 0.00 C ATOM 0 H LEU A 60 -0.921 6.524 -3.205 1.00 0.00 H new ATOM 0 HA LEU A 60 0.245 6.936 -5.877 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.207 7.711 -3.101 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.990 8.142 -4.608 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.761 9.054 -3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.302 11.268 -3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.043 10.080 -2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.876 10.543 -3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.659 10.548 -5.679 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.877 9.794 -6.169 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.622 8.834 -6.154 1.00 0.00 H new ATOM 912 N LEU A 61 1.939 5.142 -5.830 1.00 0.00 N ATOM 913 CA LEU A 61 2.870 4.019 -5.856 1.00 0.00 C ATOM 914 C LEU A 61 4.314 4.509 -5.848 1.00 0.00 C ATOM 915 O LEU A 61 4.799 5.055 -6.838 1.00 0.00 O ATOM 916 CB LEU A 61 2.620 3.153 -7.092 1.00 0.00 C ATOM 917 CG LEU A 61 1.229 2.527 -7.203 1.00 0.00 C ATOM 918 CD1 LEU A 61 1.151 1.612 -8.415 1.00 0.00 C ATOM 919 CD2 LEU A 61 0.885 1.763 -5.933 1.00 0.00 C ATOM 0 H LEU A 61 1.788 5.585 -6.736 1.00 0.00 H new ATOM 0 HA LEU A 61 2.704 3.420 -4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.794 3.762 -7.979 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.359 2.352 -7.105 1.00 0.00 H new ATOM 0 HG LEU A 61 0.500 3.328 -7.330 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.154 1.176 -8.478 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.353 2.187 -9.319 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.890 0.817 -8.318 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.108 1.324 -6.030 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.617 0.971 -5.775 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.899 2.445 -5.083 1.00 0.00 H new ATOM 931 N GLN A 62 4.995 4.308 -4.725 1.00 0.00 N ATOM 932 CA GLN A 62 6.385 4.728 -4.589 1.00 0.00 C ATOM 933 C GLN A 62 7.335 3.601 -4.982 1.00 0.00 C ATOM 934 O GLN A 62 7.044 2.425 -4.765 1.00 0.00 O ATOM 935 CB GLN A 62 6.668 5.172 -3.153 1.00 0.00 C ATOM 936 CG GLN A 62 5.953 6.454 -2.760 1.00 0.00 C ATOM 937 CD GLN A 62 5.949 7.484 -3.873 1.00 0.00 C ATOM 938 OE1 GLN A 62 6.962 7.700 -4.538 1.00 0.00 O ATOM 939 NE2 GLN A 62 4.805 8.126 -4.081 1.00 0.00 N ATOM 0 H GLN A 62 4.607 3.857 -3.896 1.00 0.00 H new ATOM 0 HA GLN A 62 6.551 5.570 -5.261 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.370 4.376 -2.470 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.742 5.313 -3.030 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.925 6.222 -2.481 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.434 6.879 -1.879 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.990 7.915 -3.505 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.742 8.830 -4.816 1.00 0.00 H new ATOM 948 N LYS A 63 8.472 3.969 -5.563 1.00 0.00 N ATOM 949 CA LYS A 63 9.467 2.991 -5.986 1.00 0.00 C ATOM 950 C LYS A 63 10.875 3.455 -5.627 1.00 0.00 C ATOM 951 O LYS A 63 11.326 4.505 -6.082 1.00 0.00 O ATOM 952 CB LYS A 63 9.367 2.751 -7.494 1.00 0.00 C ATOM 953 CG LYS A 63 7.986 2.313 -7.950 1.00 0.00 C ATOM 954 CD LYS A 63 7.777 2.580 -9.432 1.00 0.00 C ATOM 955 CE LYS A 63 7.191 3.963 -9.671 1.00 0.00 C ATOM 956 NZ LYS A 63 6.670 4.111 -11.059 1.00 0.00 N ATOM 0 H LYS A 63 8.727 4.938 -5.752 1.00 0.00 H new ATOM 0 HA LYS A 63 9.267 2.057 -5.461 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.640 3.667 -8.018 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.093 1.991 -7.781 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.856 1.250 -7.749 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.227 2.842 -7.374 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.728 2.491 -9.957 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.111 1.824 -9.849 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.386 4.144 -8.959 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.955 4.718 -9.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.279 5.067 -11.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.444 3.963 -11.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.923 3.407 -11.226 1.00 0.00 H new ATOM 970 N GLU A 64 11.563 2.666 -4.808 1.00 0.00 N ATOM 971 CA GLU A 64 12.920 2.997 -4.389 1.00 0.00 C ATOM 972 C GLU A 64 13.948 2.275 -5.254 1.00 0.00 C ATOM 973 O GLU A 64 13.596 1.593 -6.217 1.00 0.00 O ATOM 974 CB GLU A 64 13.127 2.631 -2.918 1.00 0.00 C ATOM 975 CG GLU A 64 14.089 3.555 -2.190 1.00 0.00 C ATOM 976 CD GLU A 64 13.754 3.704 -0.719 1.00 0.00 C ATOM 977 OE1 GLU A 64 12.557 3.844 -0.394 1.00 0.00 O ATOM 978 OE2 GLU A 64 14.691 3.680 0.107 1.00 0.00 O ATOM 0 H GLU A 64 11.203 1.793 -4.422 1.00 0.00 H new ATOM 0 HA GLU A 64 13.059 4.071 -4.511 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.163 2.649 -2.409 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.501 1.609 -2.856 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.104 3.169 -2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.073 4.537 -2.664 1.00 0.00 H new ATOM 985 N ASP A 65 15.220 2.431 -4.905 1.00 0.00 N ATOM 986 CA ASP A 65 16.301 1.793 -5.648 1.00 0.00 C ATOM 987 C ASP A 65 16.014 0.310 -5.861 1.00 0.00 C ATOM 988 O ASP A 65 15.835 -0.143 -6.992 1.00 0.00 O ATOM 989 CB ASP A 65 17.629 1.968 -4.910 1.00 0.00 C ATOM 990 CG ASP A 65 18.333 3.258 -5.282 1.00 0.00 C ATOM 991 OD1 ASP A 65 18.574 3.475 -6.487 1.00 0.00 O ATOM 992 OD2 ASP A 65 18.645 4.049 -4.367 1.00 0.00 O ATOM 0 H ASP A 65 15.528 2.994 -4.112 1.00 0.00 H new ATOM 0 HA ASP A 65 16.371 2.274 -6.624 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.449 1.953 -3.835 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.281 1.124 -5.136 1.00 0.00 H new ATOM 997 N THR A 66 15.972 -0.442 -4.765 1.00 0.00 N ATOM 998 CA THR A 66 15.709 -1.874 -4.832 1.00 0.00 C ATOM 999 C THR A 66 14.491 -2.249 -3.994 1.00 0.00 C ATOM 1000 O THR A 66 14.111 -3.417 -3.922 1.00 0.00 O ATOM 1001 CB THR A 66 16.922 -2.691 -4.347 1.00 0.00 C ATOM 1002 OG1 THR A 66 17.573 -2.009 -3.269 1.00 0.00 O ATOM 1003 CG2 THR A 66 17.910 -2.917 -5.481 1.00 0.00 C ATOM 0 H THR A 66 16.117 -0.083 -3.821 1.00 0.00 H new ATOM 0 HA THR A 66 15.515 -2.111 -5.878 1.00 0.00 H new ATOM 0 HB THR A 66 16.564 -3.660 -3.999 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.342 -2.536 -2.965 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.758 -3.496 -5.115 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.420 -3.462 -6.288 1.00 0.00 H new ATOM 0 HG23 THR A 66 18.261 -1.955 -5.854 1.00 0.00 H new ATOM 1011 N VAL A 67 13.883 -1.250 -3.363 1.00 0.00 N ATOM 1012 CA VAL A 67 12.706 -1.474 -2.532 1.00 0.00 C ATOM 1013 C VAL A 67 11.530 -0.628 -3.005 1.00 0.00 C ATOM 1014 O VAL A 67 11.700 0.527 -3.396 1.00 0.00 O ATOM 1015 CB VAL A 67 12.994 -1.153 -1.053 1.00 0.00 C ATOM 1016 CG1 VAL A 67 13.683 0.197 -0.924 1.00 0.00 C ATOM 1017 CG2 VAL A 67 11.708 -1.185 -0.241 1.00 0.00 C ATOM 0 H VAL A 67 14.186 -0.277 -3.411 1.00 0.00 H new ATOM 0 HA VAL A 67 12.450 -2.530 -2.624 1.00 0.00 H new ATOM 0 HB VAL A 67 13.665 -1.915 -0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 67 13.878 0.407 0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 67 14.625 0.178 -1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.040 0.975 -1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.930 -0.956 0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.011 -0.445 -0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.260 -2.177 -0.307 1.00 0.00 H new ATOM 1027 N ARG A 68 10.336 -1.210 -2.966 1.00 0.00 N ATOM 1028 CA ARG A 68 9.130 -0.510 -3.391 1.00 0.00 C ATOM 1029 C ARG A 68 8.269 -0.131 -2.189 1.00 0.00 C ATOM 1030 O ARG A 68 8.338 -0.768 -1.138 1.00 0.00 O ATOM 1031 CB ARG A 68 8.323 -1.380 -4.356 1.00 0.00 C ATOM 1032 CG ARG A 68 9.110 -1.825 -5.578 1.00 0.00 C ATOM 1033 CD ARG A 68 9.053 -0.786 -6.686 1.00 0.00 C ATOM 1034 NE ARG A 68 9.604 -1.292 -7.941 1.00 0.00 N ATOM 1035 CZ ARG A 68 8.860 -1.802 -8.917 1.00 0.00 C ATOM 1036 NH1 ARG A 68 7.543 -1.873 -8.784 1.00 0.00 N ATOM 1037 NH2 ARG A 68 9.435 -2.243 -10.028 1.00 0.00 N ATOM 0 H ARG A 68 10.178 -2.165 -2.644 1.00 0.00 H new ATOM 0 HA ARG A 68 9.432 0.404 -3.903 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.965 -2.261 -3.824 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.443 -0.825 -4.683 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.148 -2.003 -5.298 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.711 -2.771 -5.944 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.019 -0.479 -6.842 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.606 0.102 -6.379 1.00 0.00 H new ATOM 0 HE ARG A 68 10.614 -1.252 -8.075 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.098 -1.536 -7.931 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.975 -2.265 -9.535 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.448 -2.191 -10.133 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.864 -2.634 -10.777 1.00 0.00 H new ATOM 1051 N ARG A 69 7.459 0.909 -2.353 1.00 0.00 N ATOM 1052 CA ARG A 69 6.586 1.374 -1.282 1.00 0.00 C ATOM 1053 C ARG A 69 5.283 1.934 -1.846 1.00 0.00 C ATOM 1054 O ARG A 69 5.264 2.516 -2.932 1.00 0.00 O ATOM 1055 CB ARG A 69 7.293 2.442 -0.446 1.00 0.00 C ATOM 1056 CG ARG A 69 8.405 1.891 0.432 1.00 0.00 C ATOM 1057 CD ARG A 69 8.720 2.829 1.587 1.00 0.00 C ATOM 1058 NE ARG A 69 9.567 3.944 1.171 1.00 0.00 N ATOM 1059 CZ ARG A 69 10.348 4.623 2.004 1.00 0.00 C ATOM 1060 NH1 ARG A 69 10.389 4.302 3.290 1.00 0.00 N ATOM 1061 NH2 ARG A 69 11.090 5.625 1.550 1.00 0.00 N ATOM 0 H ARG A 69 7.389 1.446 -3.217 1.00 0.00 H new ATOM 0 HA ARG A 69 6.349 0.522 -0.645 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.709 3.197 -1.113 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.558 2.943 0.184 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.112 0.916 0.823 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.302 1.737 -0.168 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.790 3.216 2.004 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.218 2.272 2.381 1.00 0.00 H new ATOM 0 HE ARG A 69 9.558 4.216 0.188 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.820 3.532 3.642 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.990 4.825 3.927 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.061 5.874 0.561 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.690 6.146 2.190 1.00 0.00 H new ATOM 1075 N LEU A 70 4.197 1.755 -1.103 1.00 0.00 N ATOM 1076 CA LEU A 70 2.890 2.243 -1.529 1.00 0.00 C ATOM 1077 C LEU A 70 2.339 3.262 -0.537 1.00 0.00 C ATOM 1078 O LEU A 70 2.000 2.921 0.596 1.00 0.00 O ATOM 1079 CB LEU A 70 1.911 1.076 -1.675 1.00 0.00 C ATOM 1080 CG LEU A 70 0.426 1.431 -1.595 1.00 0.00 C ATOM 1081 CD1 LEU A 70 0.062 2.448 -2.665 1.00 0.00 C ATOM 1082 CD2 LEU A 70 -0.429 0.180 -1.732 1.00 0.00 C ATOM 0 H LEU A 70 4.195 1.276 -0.203 1.00 0.00 H new ATOM 0 HA LEU A 70 3.010 2.733 -2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.097 0.590 -2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.131 0.344 -0.898 1.00 0.00 H new ATOM 0 HG LEU A 70 0.230 1.876 -0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.999 2.688 -2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.650 3.354 -2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.273 2.031 -3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.483 0.451 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.230 -0.293 -2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.188 -0.515 -0.928 1.00 0.00 H new ATOM 1094 N VAL A 71 2.250 4.515 -0.972 1.00 0.00 N ATOM 1095 CA VAL A 71 1.737 5.584 -0.123 1.00 0.00 C ATOM 1096 C VAL A 71 0.354 6.035 -0.583 1.00 0.00 C ATOM 1097 O VAL A 71 0.118 6.231 -1.776 1.00 0.00 O ATOM 1098 CB VAL A 71 2.684 6.798 -0.116 1.00 0.00 C ATOM 1099 CG1 VAL A 71 2.114 7.915 0.745 1.00 0.00 C ATOM 1100 CG2 VAL A 71 4.067 6.391 0.371 1.00 0.00 C ATOM 0 H VAL A 71 2.526 4.815 -1.907 1.00 0.00 H new ATOM 0 HA VAL A 71 1.668 5.181 0.887 1.00 0.00 H new ATOM 0 HB VAL A 71 2.778 7.170 -1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.797 8.764 0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.147 8.223 0.348 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.989 7.559 1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.724 7.261 0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.994 5.993 1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.475 5.627 -0.291 1.00 0.00 H new ATOM 1110 N LEU A 72 -0.556 6.197 0.371 1.00 0.00 N ATOM 1111 CA LEU A 72 -1.916 6.626 0.065 1.00 0.00 C ATOM 1112 C LEU A 72 -2.227 7.964 0.727 1.00 0.00 C ATOM 1113 O LEU A 72 -2.458 8.049 1.933 1.00 0.00 O ATOM 1114 CB LEU A 72 -2.921 5.569 0.527 1.00 0.00 C ATOM 1115 CG LEU A 72 -2.875 4.231 -0.211 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -1.609 3.468 0.146 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -4.109 3.401 0.112 1.00 0.00 C ATOM 0 H LEU A 72 -0.377 6.038 1.362 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.998 6.749 -1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.758 5.381 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.925 5.982 0.426 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.865 4.429 -1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.594 2.518 -0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.737 4.058 -0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.588 3.280 1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.059 2.452 -0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.150 3.212 1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.003 3.944 -0.195 1.00 0.00 H new ATOM 1129 N PRO A 73 -2.236 9.036 -0.079 1.00 0.00 N ATOM 1130 CA PRO A 73 -2.521 10.390 0.406 1.00 0.00 C ATOM 1131 C PRO A 73 -3.979 10.564 0.816 1.00 0.00 C ATOM 1132 O PRO A 73 -4.344 11.564 1.434 1.00 0.00 O ATOM 1133 CB PRO A 73 -2.194 11.275 -0.800 1.00 0.00 C ATOM 1134 CG PRO A 73 -2.371 10.385 -1.982 1.00 0.00 C ATOM 1135 CD PRO A 73 -1.970 9.009 -1.527 1.00 0.00 C ATOM 0 HA PRO A 73 -1.945 10.633 1.299 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.859 12.137 -0.850 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.176 11.661 -0.744 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.405 10.396 -2.328 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.752 10.716 -2.816 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.552 8.235 -2.028 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.920 8.806 -1.739 1.00 0.00 H new ATOM 1143 N ALA A 74 -4.808 9.585 0.468 1.00 0.00 N ATOM 1144 CA ALA A 74 -6.226 9.630 0.802 1.00 0.00 C ATOM 1145 C ALA A 74 -6.853 8.242 0.721 1.00 0.00 C ATOM 1146 O ALA A 74 -7.096 7.723 -0.369 1.00 0.00 O ATOM 1147 CB ALA A 74 -6.955 10.596 -0.119 1.00 0.00 C ATOM 0 H ALA A 74 -4.522 8.751 -0.045 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.321 9.984 1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.013 10.619 0.142 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.532 11.594 -0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.843 10.268 -1.152 1.00 0.00 H new ATOM 1153 N VAL A 75 -7.112 7.646 1.880 1.00 0.00 N ATOM 1154 CA VAL A 75 -7.712 6.318 1.940 1.00 0.00 C ATOM 1155 C VAL A 75 -9.205 6.402 2.235 1.00 0.00 C ATOM 1156 O VAL A 75 -9.747 7.488 2.438 1.00 0.00 O ATOM 1157 CB VAL A 75 -7.035 5.445 3.013 1.00 0.00 C ATOM 1158 CG1 VAL A 75 -5.552 5.766 3.106 1.00 0.00 C ATOM 1159 CG2 VAL A 75 -7.716 5.634 4.360 1.00 0.00 C ATOM 0 H VAL A 75 -6.916 8.062 2.791 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.564 5.859 0.963 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.137 4.399 2.723 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.091 5.139 3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.077 5.574 2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.423 6.815 3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.225 5.010 5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.647 6.680 4.659 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.765 5.348 4.281 1.00 0.00 H new ATOM 1169 N GLN A 76 -9.864 5.248 2.258 1.00 0.00 N ATOM 1170 CA GLN A 76 -11.295 5.192 2.529 1.00 0.00 C ATOM 1171 C GLN A 76 -11.657 3.915 3.280 1.00 0.00 C ATOM 1172 O GLN A 76 -11.058 2.861 3.060 1.00 0.00 O ATOM 1173 CB GLN A 76 -12.087 5.271 1.222 1.00 0.00 C ATOM 1174 CG GLN A 76 -11.697 6.450 0.346 1.00 0.00 C ATOM 1175 CD GLN A 76 -10.552 6.127 -0.593 1.00 0.00 C ATOM 1176 OE1 GLN A 76 -10.516 5.056 -1.201 1.00 0.00 O ATOM 1177 NE2 GLN A 76 -9.608 7.052 -0.717 1.00 0.00 N ATOM 0 H GLN A 76 -9.430 4.340 2.092 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.554 6.046 3.155 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.940 4.348 0.661 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.150 5.337 1.454 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -12.562 6.766 -0.237 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -11.416 7.291 0.980 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.678 7.925 -0.194 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.813 6.890 -1.335 1.00 0.00 H new ATOM 1186 N LEU A 77 -12.641 4.015 4.167 1.00 0.00 N ATOM 1187 CA LEU A 77 -13.083 2.867 4.952 1.00 0.00 C ATOM 1188 C LEU A 77 -13.318 1.654 4.058 1.00 0.00 C ATOM 1189 O LEU A 77 -13.120 0.515 4.477 1.00 0.00 O ATOM 1190 CB LEU A 77 -14.365 3.209 5.714 1.00 0.00 C ATOM 1191 CG LEU A 77 -14.305 4.450 6.606 1.00 0.00 C ATOM 1192 CD1 LEU A 77 -15.671 4.741 7.207 1.00 0.00 C ATOM 1193 CD2 LEU A 77 -13.265 4.269 7.702 1.00 0.00 C ATOM 0 H LEU A 77 -13.148 4.879 4.361 1.00 0.00 H new ATOM 0 HA LEU A 77 -12.297 2.622 5.666 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.169 3.345 4.990 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.635 2.354 6.333 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.012 5.302 5.992 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -15.609 5.627 7.839 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.391 4.915 6.407 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.993 3.890 7.807 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.236 5.162 8.327 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.528 3.406 8.314 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.285 4.110 7.251 1.00 0.00 H new ATOM 1205 N GLU A 78 -13.739 1.908 2.822 1.00 0.00 N ATOM 1206 CA GLU A 78 -13.999 0.836 1.869 1.00 0.00 C ATOM 1207 C GLU A 78 -12.698 0.168 1.433 1.00 0.00 C ATOM 1208 O GLU A 78 -12.640 -1.049 1.259 1.00 0.00 O ATOM 1209 CB GLU A 78 -14.740 1.380 0.646 1.00 0.00 C ATOM 1210 CG GLU A 78 -16.043 2.084 0.987 1.00 0.00 C ATOM 1211 CD GLU A 78 -17.072 1.975 -0.121 1.00 0.00 C ATOM 1212 OE1 GLU A 78 -16.996 2.769 -1.082 1.00 0.00 O ATOM 1213 OE2 GLU A 78 -17.954 1.096 -0.027 1.00 0.00 O ATOM 0 H GLU A 78 -13.907 2.846 2.458 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.623 0.090 2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.089 2.076 0.117 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.950 0.557 -0.037 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.453 1.657 1.902 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.841 3.136 1.188 1.00 0.00 H new ATOM 1220 N ASP A 79 -11.656 0.973 1.259 1.00 0.00 N ATOM 1221 CA ASP A 79 -10.355 0.462 0.845 1.00 0.00 C ATOM 1222 C ASP A 79 -9.871 -0.628 1.796 1.00 0.00 C ATOM 1223 O ASP A 79 -9.234 -1.594 1.377 1.00 0.00 O ATOM 1224 CB ASP A 79 -9.331 1.597 0.787 1.00 0.00 C ATOM 1225 CG ASP A 79 -9.559 2.523 -0.392 1.00 0.00 C ATOM 1226 OD1 ASP A 79 -10.698 2.562 -0.903 1.00 0.00 O ATOM 1227 OD2 ASP A 79 -8.599 3.208 -0.803 1.00 0.00 O ATOM 0 H ASP A 79 -11.687 1.983 1.398 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.463 0.030 -0.150 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.378 2.172 1.712 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.328 1.175 0.725 1.00 0.00 H new ATOM 1232 N SER A 80 -10.177 -0.465 3.080 1.00 0.00 N ATOM 1233 CA SER A 80 -9.769 -1.432 4.092 1.00 0.00 C ATOM 1234 C SER A 80 -10.029 -2.858 3.616 1.00 0.00 C ATOM 1235 O SER A 80 -11.175 -3.257 3.412 1.00 0.00 O ATOM 1236 CB SER A 80 -10.514 -1.175 5.403 1.00 0.00 C ATOM 1237 OG SER A 80 -11.853 -1.634 5.327 1.00 0.00 O ATOM 0 H SER A 80 -10.706 0.328 3.443 1.00 0.00 H new ATOM 0 HA SER A 80 -8.699 -1.314 4.262 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.000 -1.678 6.222 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.504 -0.108 5.628 1.00 0.00 H new ATOM 0 HG SER A 80 -12.389 -0.994 4.814 1.00 0.00 H new ATOM 1243 N GLY A 81 -8.955 -3.623 3.442 1.00 0.00 N ATOM 1244 CA GLY A 81 -9.087 -4.996 2.992 1.00 0.00 C ATOM 1245 C GLY A 81 -7.801 -5.783 3.145 1.00 0.00 C ATOM 1246 O GLY A 81 -7.207 -5.809 4.223 1.00 0.00 O ATOM 0 H GLY A 81 -7.996 -3.316 3.605 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.879 -5.486 3.559 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.392 -5.004 1.946 1.00 0.00 H new ATOM 1250 N GLU A 82 -7.371 -6.427 2.065 1.00 0.00 N ATOM 1251 CA GLU A 82 -6.147 -7.220 2.086 1.00 0.00 C ATOM 1252 C GLU A 82 -5.250 -6.868 0.903 1.00 0.00 C ATOM 1253 O GLU A 82 -5.500 -7.287 -0.227 1.00 0.00 O ATOM 1254 CB GLU A 82 -6.481 -8.713 2.060 1.00 0.00 C ATOM 1255 CG GLU A 82 -5.450 -9.579 2.765 1.00 0.00 C ATOM 1256 CD GLU A 82 -5.892 -11.024 2.892 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -6.571 -11.520 1.969 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -5.558 -11.660 3.914 1.00 0.00 O ATOM 0 H GLU A 82 -7.851 -6.415 1.165 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.611 -6.990 3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.454 -8.867 2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.570 -9.039 1.024 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.509 -9.537 2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.258 -9.173 3.758 1.00 0.00 H new ATOM 1265 N TYR A 83 -4.204 -6.094 1.172 1.00 0.00 N ATOM 1266 CA TYR A 83 -3.270 -5.682 0.131 1.00 0.00 C ATOM 1267 C TYR A 83 -2.214 -6.756 -0.110 1.00 0.00 C ATOM 1268 O TYR A 83 -1.325 -6.966 0.716 1.00 0.00 O ATOM 1269 CB TYR A 83 -2.595 -4.364 0.514 1.00 0.00 C ATOM 1270 CG TYR A 83 -3.462 -3.148 0.275 1.00 0.00 C ATOM 1271 CD1 TYR A 83 -4.570 -2.893 1.073 1.00 0.00 C ATOM 1272 CD2 TYR A 83 -3.173 -2.255 -0.749 1.00 0.00 C ATOM 1273 CE1 TYR A 83 -5.365 -1.783 0.858 1.00 0.00 C ATOM 1274 CE2 TYR A 83 -3.961 -1.142 -0.971 1.00 0.00 C ATOM 1275 CZ TYR A 83 -5.056 -0.911 -0.165 1.00 0.00 C ATOM 1276 OH TYR A 83 -5.845 0.195 -0.383 1.00 0.00 O ATOM 0 H TYR A 83 -3.982 -5.739 2.102 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.834 -5.539 -0.791 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.317 -4.400 1.567 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.672 -4.259 -0.056 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.814 -3.574 1.875 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.317 -2.434 -1.383 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.223 -1.600 1.487 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.721 -0.457 -1.771 1.00 0.00 H new ATOM 0 HH TYR A 83 -5.490 0.706 -1.140 1.00 0.00 H new ATOM 1286 N LEU A 84 -2.318 -7.433 -1.248 1.00 0.00 N ATOM 1287 CA LEU A 84 -1.371 -8.486 -1.601 1.00 0.00 C ATOM 1288 C LEU A 84 -0.451 -8.036 -2.731 1.00 0.00 C ATOM 1289 O LEU A 84 -0.901 -7.797 -3.853 1.00 0.00 O ATOM 1290 CB LEU A 84 -2.120 -9.755 -2.012 1.00 0.00 C ATOM 1291 CG LEU A 84 -2.358 -10.783 -0.905 1.00 0.00 C ATOM 1292 CD1 LEU A 84 -1.088 -11.572 -0.628 1.00 0.00 C ATOM 1293 CD2 LEU A 84 -2.850 -10.099 0.362 1.00 0.00 C ATOM 0 H LEU A 84 -3.048 -7.272 -1.942 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.760 -8.700 -0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.086 -9.465 -2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.563 -10.238 -2.815 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.128 -11.478 -1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.276 -12.299 0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.779 -12.093 -1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.298 -10.890 -0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.014 -10.846 1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.103 -9.381 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.786 -9.579 0.155 1.00 0.00 H new ATOM 1305 N CYS A 85 0.837 -7.923 -2.428 1.00 0.00 N ATOM 1306 CA CYS A 85 1.821 -7.503 -3.420 1.00 0.00 C ATOM 1307 C CYS A 85 2.500 -8.710 -4.058 1.00 0.00 C ATOM 1308 O CYS A 85 3.318 -9.379 -3.428 1.00 0.00 O ATOM 1309 CB CYS A 85 2.870 -6.595 -2.774 1.00 0.00 C ATOM 1310 SG CYS A 85 4.173 -6.053 -3.905 1.00 0.00 S ATOM 0 H CYS A 85 1.225 -8.116 -1.504 1.00 0.00 H new ATOM 0 HA CYS A 85 1.300 -6.948 -4.200 1.00 0.00 H new ATOM 0 HB2 CYS A 85 2.372 -5.717 -2.363 1.00 0.00 H new ATOM 0 HB3 CYS A 85 3.327 -7.123 -1.937 1.00 0.00 H new ATOM 0 HG CYS A 85 4.131 -4.759 -4.027 1.00 0.00 H new ATOM 1316 N GLU A 86 2.152 -8.984 -5.312 1.00 0.00 N ATOM 1317 CA GLU A 86 2.726 -10.113 -6.034 1.00 0.00 C ATOM 1318 C GLU A 86 3.803 -9.644 -7.009 1.00 0.00 C ATOM 1319 O GLU A 86 3.664 -8.602 -7.649 1.00 0.00 O ATOM 1320 CB GLU A 86 1.634 -10.872 -6.790 1.00 0.00 C ATOM 1321 CG GLU A 86 0.334 -11.000 -6.015 1.00 0.00 C ATOM 1322 CD GLU A 86 -0.484 -12.204 -6.441 1.00 0.00 C ATOM 1323 OE1 GLU A 86 -1.170 -12.116 -7.481 1.00 0.00 O ATOM 1324 OE2 GLU A 86 -0.438 -13.234 -5.736 1.00 0.00 O ATOM 0 H GLU A 86 1.476 -8.440 -5.848 1.00 0.00 H new ATOM 0 HA GLU A 86 3.185 -10.782 -5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.436 -10.363 -7.733 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.000 -11.869 -7.036 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.556 -11.075 -4.950 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.258 -10.096 -6.154 1.00 0.00 H new ATOM 1331 N ILE A 87 4.876 -10.422 -7.114 1.00 0.00 N ATOM 1332 CA ILE A 87 5.975 -10.087 -8.011 1.00 0.00 C ATOM 1333 C ILE A 87 6.064 -11.078 -9.166 1.00 0.00 C ATOM 1334 O ILE A 87 5.989 -10.695 -10.333 1.00 0.00 O ATOM 1335 CB ILE A 87 7.322 -10.064 -7.264 1.00 0.00 C ATOM 1336 CG1 ILE A 87 8.465 -10.414 -8.219 1.00 0.00 C ATOM 1337 CG2 ILE A 87 7.293 -11.028 -6.088 1.00 0.00 C ATOM 1338 CD1 ILE A 87 9.775 -9.743 -7.866 1.00 0.00 C ATOM 0 H ILE A 87 5.007 -11.287 -6.590 1.00 0.00 H new ATOM 0 HA ILE A 87 5.769 -9.092 -8.405 1.00 0.00 H new ATOM 0 HB ILE A 87 7.490 -9.058 -6.879 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.608 -11.495 -8.220 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.181 -10.129 -9.232 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.252 -11.000 -5.571 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.500 -10.737 -5.399 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.106 -12.039 -6.451 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.540 -10.037 -8.585 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.648 -8.661 -7.893 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.082 -10.048 -6.865 1.00 0.00 H new ATOM 1350 N ASP A 88 6.224 -12.354 -8.832 1.00 0.00 N ATOM 1351 CA ASP A 88 6.320 -13.402 -9.842 1.00 0.00 C ATOM 1352 C ASP A 88 5.456 -14.602 -9.464 1.00 0.00 C ATOM 1353 O ASP A 88 4.411 -14.842 -10.070 1.00 0.00 O ATOM 1354 CB ASP A 88 7.775 -13.841 -10.015 1.00 0.00 C ATOM 1355 CG ASP A 88 8.077 -14.295 -11.430 1.00 0.00 C ATOM 1356 OD1 ASP A 88 7.410 -13.807 -12.365 1.00 0.00 O ATOM 1357 OD2 ASP A 88 8.982 -15.140 -11.601 1.00 0.00 O ATOM 0 H ASP A 88 6.290 -12.688 -7.870 1.00 0.00 H new ATOM 0 HA ASP A 88 5.955 -12.997 -10.786 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.435 -13.014 -9.753 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.992 -14.654 -9.321 1.00 0.00 H new ATOM 1362 N ASP A 89 5.899 -15.351 -8.460 1.00 0.00 N ATOM 1363 CA ASP A 89 5.166 -16.525 -8.002 1.00 0.00 C ATOM 1364 C ASP A 89 4.754 -16.372 -6.541 1.00 0.00 C ATOM 1365 O ASP A 89 3.886 -17.096 -6.053 1.00 0.00 O ATOM 1366 CB ASP A 89 6.018 -17.784 -8.174 1.00 0.00 C ATOM 1367 CG ASP A 89 6.293 -18.101 -9.631 1.00 0.00 C ATOM 1368 OD1 ASP A 89 5.369 -18.585 -10.317 1.00 0.00 O ATOM 1369 OD2 ASP A 89 7.433 -17.868 -10.085 1.00 0.00 O ATOM 0 H ASP A 89 6.762 -15.166 -7.948 1.00 0.00 H new ATOM 0 HA ASP A 89 4.265 -16.619 -8.608 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.964 -17.654 -7.648 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.510 -18.630 -7.711 1.00 0.00 H new ATOM 1374 N GLU A 90 5.382 -15.426 -5.850 1.00 0.00 N ATOM 1375 CA GLU A 90 5.080 -15.180 -4.445 1.00 0.00 C ATOM 1376 C GLU A 90 4.279 -13.892 -4.277 1.00 0.00 C ATOM 1377 O GLU A 90 4.154 -13.101 -5.212 1.00 0.00 O ATOM 1378 CB GLU A 90 6.372 -15.100 -3.629 1.00 0.00 C ATOM 1379 CG GLU A 90 7.447 -16.068 -4.094 1.00 0.00 C ATOM 1380 CD GLU A 90 7.970 -15.738 -5.479 1.00 0.00 C ATOM 1381 OE1 GLU A 90 7.853 -14.567 -5.894 1.00 0.00 O ATOM 1382 OE2 GLU A 90 8.496 -16.653 -6.147 1.00 0.00 O ATOM 0 H GLU A 90 6.102 -14.818 -6.240 1.00 0.00 H new ATOM 0 HA GLU A 90 4.478 -16.012 -4.079 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.763 -14.084 -3.682 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.143 -15.300 -2.582 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.274 -16.054 -3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.044 -17.081 -4.094 1.00 0.00 H new ATOM 1389 N SER A 91 3.738 -13.690 -3.080 1.00 0.00 N ATOM 1390 CA SER A 91 2.945 -12.501 -2.790 1.00 0.00 C ATOM 1391 C SER A 91 3.117 -12.075 -1.335 1.00 0.00 C ATOM 1392 O SER A 91 3.257 -12.912 -0.445 1.00 0.00 O ATOM 1393 CB SER A 91 1.468 -12.763 -3.087 1.00 0.00 C ATOM 1394 OG SER A 91 1.024 -13.951 -2.456 1.00 0.00 O ATOM 0 H SER A 91 3.834 -14.334 -2.295 1.00 0.00 H new ATOM 0 HA SER A 91 3.298 -11.693 -3.430 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.870 -11.919 -2.743 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.319 -12.842 -4.164 1.00 0.00 H new ATOM 0 HG SER A 91 0.076 -14.095 -2.660 1.00 0.00 H new ATOM 1400 N ALA A 92 3.103 -10.767 -1.103 1.00 0.00 N ATOM 1401 CA ALA A 92 3.255 -10.228 0.243 1.00 0.00 C ATOM 1402 C ALA A 92 1.915 -9.764 0.803 1.00 0.00 C ATOM 1403 O ALA A 92 1.205 -8.981 0.170 1.00 0.00 O ATOM 1404 CB ALA A 92 4.255 -9.082 0.244 1.00 0.00 C ATOM 0 H ALA A 92 2.988 -10.061 -1.830 1.00 0.00 H new ATOM 0 HA ALA A 92 3.632 -11.024 0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.358 -8.690 1.256 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.222 -9.443 -0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.902 -8.291 -0.418 1.00 0.00 H new ATOM 1410 N SER A 93 1.574 -10.251 1.991 1.00 0.00 N ATOM 1411 CA SER A 93 0.316 -9.889 2.634 1.00 0.00 C ATOM 1412 C SER A 93 0.462 -8.591 3.423 1.00 0.00 C ATOM 1413 O SER A 93 1.374 -8.446 4.238 1.00 0.00 O ATOM 1414 CB SER A 93 -0.150 -11.013 3.561 1.00 0.00 C ATOM 1415 OG SER A 93 -1.231 -10.589 4.373 1.00 0.00 O ATOM 0 H SER A 93 2.151 -10.898 2.529 1.00 0.00 H new ATOM 0 HA SER A 93 -0.431 -9.738 1.855 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.453 -11.876 2.968 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.678 -11.335 4.192 1.00 0.00 H new ATOM 0 HG SER A 93 -1.888 -11.313 4.448 1.00 0.00 H new ATOM 1421 N PHE A 94 -0.441 -7.649 3.173 1.00 0.00 N ATOM 1422 CA PHE A 94 -0.413 -6.362 3.859 1.00 0.00 C ATOM 1423 C PHE A 94 -1.806 -5.977 4.350 1.00 0.00 C ATOM 1424 O PHE A 94 -2.636 -5.490 3.582 1.00 0.00 O ATOM 1425 CB PHE A 94 0.130 -5.276 2.927 1.00 0.00 C ATOM 1426 CG PHE A 94 1.624 -5.307 2.778 1.00 0.00 C ATOM 1427 CD1 PHE A 94 2.445 -4.863 3.802 1.00 0.00 C ATOM 1428 CD2 PHE A 94 2.207 -5.779 1.613 1.00 0.00 C ATOM 1429 CE1 PHE A 94 3.820 -4.890 3.668 1.00 0.00 C ATOM 1430 CE2 PHE A 94 3.582 -5.808 1.473 1.00 0.00 C ATOM 1431 CZ PHE A 94 4.389 -5.363 2.501 1.00 0.00 C ATOM 0 H PHE A 94 -1.201 -7.752 2.501 1.00 0.00 H new ATOM 0 HA PHE A 94 0.245 -6.453 4.723 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.328 -5.390 1.944 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.169 -4.299 3.307 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.005 -4.491 4.716 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.580 -6.128 0.806 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.449 -4.542 4.474 1.00 0.00 H new ATOM 0 HE2 PHE A 94 4.025 -6.178 0.560 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.463 -5.385 2.393 1.00 0.00 H new ATOM 1441 N THR A 95 -2.055 -6.200 5.637 1.00 0.00 N ATOM 1442 CA THR A 95 -3.346 -5.879 6.232 1.00 0.00 C ATOM 1443 C THR A 95 -3.452 -4.390 6.544 1.00 0.00 C ATOM 1444 O THR A 95 -2.685 -3.858 7.346 1.00 0.00 O ATOM 1445 CB THR A 95 -3.584 -6.681 7.525 1.00 0.00 C ATOM 1446 OG1 THR A 95 -3.639 -8.081 7.229 1.00 0.00 O ATOM 1447 CG2 THR A 95 -4.878 -6.250 8.199 1.00 0.00 C ATOM 0 H THR A 95 -1.379 -6.602 6.287 1.00 0.00 H new ATOM 0 HA THR A 95 -4.107 -6.150 5.500 1.00 0.00 H new ATOM 0 HB THR A 95 -2.755 -6.485 8.206 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.789 -8.585 8.056 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.025 -6.830 9.110 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.823 -5.190 8.449 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.715 -6.420 7.522 1.00 0.00 H new ATOM 1455 N VAL A 96 -4.410 -3.723 5.907 1.00 0.00 N ATOM 1456 CA VAL A 96 -4.618 -2.296 6.119 1.00 0.00 C ATOM 1457 C VAL A 96 -6.064 -2.002 6.500 1.00 0.00 C ATOM 1458 O VAL A 96 -6.949 -1.967 5.644 1.00 0.00 O ATOM 1459 CB VAL A 96 -4.254 -1.483 4.862 1.00 0.00 C ATOM 1460 CG1 VAL A 96 -4.491 0.001 5.098 1.00 0.00 C ATOM 1461 CG2 VAL A 96 -2.811 -1.743 4.459 1.00 0.00 C ATOM 0 H VAL A 96 -5.054 -4.149 5.240 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.962 -1.999 6.937 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.899 -1.804 4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.228 0.559 4.199 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.542 0.168 5.335 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.873 0.340 5.929 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.571 -1.161 3.569 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.148 -1.451 5.273 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.678 -2.804 4.245 1.00 0.00 H new ATOM 1471 N THR A 97 -6.299 -1.791 7.791 1.00 0.00 N ATOM 1472 CA THR A 97 -7.638 -1.500 8.287 1.00 0.00 C ATOM 1473 C THR A 97 -7.802 -0.015 8.589 1.00 0.00 C ATOM 1474 O THR A 97 -7.090 0.541 9.425 1.00 0.00 O ATOM 1475 CB THR A 97 -7.954 -2.309 9.559 1.00 0.00 C ATOM 1476 OG1 THR A 97 -7.795 -3.709 9.301 1.00 0.00 O ATOM 1477 CG2 THR A 97 -9.372 -2.035 10.037 1.00 0.00 C ATOM 0 H THR A 97 -5.579 -1.816 8.513 1.00 0.00 H new ATOM 0 HA THR A 97 -8.336 -1.787 7.500 1.00 0.00 H new ATOM 0 HB THR A 97 -7.259 -2.002 10.340 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.996 -4.217 10.115 1.00 0.00 H new ATOM 0 HG21 THR A 97 -9.572 -2.618 10.936 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.482 -0.974 10.260 1.00 0.00 H new ATOM 0 HG23 THR A 97 -10.080 -2.317 9.257 1.00 0.00 H new ATOM 1485 N VAL A 98 -8.746 0.623 7.905 1.00 0.00 N ATOM 1486 CA VAL A 98 -9.006 2.044 8.102 1.00 0.00 C ATOM 1487 C VAL A 98 -10.181 2.262 9.048 1.00 0.00 C ATOM 1488 O VAL A 98 -11.095 1.440 9.122 1.00 0.00 O ATOM 1489 CB VAL A 98 -9.299 2.752 6.765 1.00 0.00 C ATOM 1490 CG1 VAL A 98 -9.503 4.243 6.984 1.00 0.00 C ATOM 1491 CG2 VAL A 98 -8.175 2.499 5.771 1.00 0.00 C ATOM 0 H VAL A 98 -9.344 0.178 7.209 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.105 2.472 8.542 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.219 2.341 6.350 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -9.709 4.726 6.029 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.345 4.400 7.659 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.602 4.673 7.422 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.398 3.006 4.832 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.238 2.881 6.176 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.082 1.428 5.591 1.00 0.00 H new ATOM 1501 N THR A 99 -10.151 3.377 9.772 1.00 0.00 N ATOM 1502 CA THR A 99 -11.213 3.705 10.715 1.00 0.00 C ATOM 1503 C THR A 99 -11.519 5.198 10.702 1.00 0.00 C ATOM 1504 O THR A 99 -10.886 5.964 9.976 1.00 0.00 O ATOM 1505 CB THR A 99 -10.842 3.280 12.148 1.00 0.00 C ATOM 1506 OG1 THR A 99 -9.523 3.737 12.468 1.00 0.00 O ATOM 1507 CG2 THR A 99 -10.911 1.768 12.300 1.00 0.00 C ATOM 0 H THR A 99 -9.402 4.068 9.723 1.00 0.00 H new ATOM 0 HA THR A 99 -12.098 3.154 10.398 1.00 0.00 H new ATOM 0 HB THR A 99 -11.559 3.731 12.834 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.295 3.464 13.381 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.645 1.492 13.320 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.923 1.426 12.084 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.214 1.300 11.604 1.00 0.00 H new ATOM 1515 N GLU A 100 -12.493 5.605 11.510 1.00 0.00 N ATOM 1516 CA GLU A 100 -12.882 7.008 11.591 1.00 0.00 C ATOM 1517 C GLU A 100 -11.999 7.761 12.581 1.00 0.00 C ATOM 1518 O GLU A 100 -11.748 7.308 13.698 1.00 0.00 O ATOM 1519 CB GLU A 100 -14.350 7.131 12.004 1.00 0.00 C ATOM 1520 CG GLU A 100 -15.305 6.391 11.082 1.00 0.00 C ATOM 1521 CD GLU A 100 -16.653 6.132 11.726 1.00 0.00 C ATOM 1522 OE1 GLU A 100 -16.679 5.765 12.920 1.00 0.00 O ATOM 1523 OE2 GLU A 100 -17.682 6.295 11.037 1.00 0.00 O ATOM 0 H GLU A 100 -13.027 4.983 12.117 1.00 0.00 H new ATOM 0 HA GLU A 100 -12.752 7.452 10.604 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -14.467 6.748 13.018 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -14.625 8.185 12.028 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -15.447 6.972 10.171 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -14.858 5.441 10.788 1.00 0.00 H new ATOM 1530 N PRO A 101 -11.514 8.940 12.163 1.00 0.00 N ATOM 1531 CA PRO A 101 -10.651 9.782 12.998 1.00 0.00 C ATOM 1532 C PRO A 101 -11.403 10.397 14.173 1.00 0.00 C ATOM 1533 O PRO A 101 -12.630 10.338 14.256 1.00 0.00 O ATOM 1534 CB PRO A 101 -10.182 10.874 12.033 1.00 0.00 C ATOM 1535 CG PRO A 101 -11.245 10.943 10.992 1.00 0.00 C ATOM 1536 CD PRO A 101 -11.771 9.542 10.844 1.00 0.00 C ATOM 0 HA PRO A 101 -9.838 9.213 13.448 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.066 11.830 12.544 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.215 10.627 11.595 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -12.039 11.628 11.289 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.843 11.311 10.048 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.833 9.535 10.599 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.257 9.002 10.049 1.00 0.00 H new ATOM 1544 N PRO A 102 -10.652 11.002 15.106 1.00 0.00 N ATOM 1545 CA PRO A 102 -11.228 11.640 16.293 1.00 0.00 C ATOM 1546 C PRO A 102 -12.001 12.909 15.952 1.00 0.00 C ATOM 1547 O PRO A 102 -12.110 13.287 14.786 1.00 0.00 O ATOM 1548 CB PRO A 102 -10.001 11.974 17.146 1.00 0.00 C ATOM 1549 CG PRO A 102 -8.882 12.093 16.169 1.00 0.00 C ATOM 1550 CD PRO A 102 -9.184 11.110 15.072 1.00 0.00 C ATOM 0 HA PRO A 102 -11.950 10.994 16.793 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -10.144 12.902 17.699 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.804 11.193 17.880 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.813 13.107 15.776 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.926 11.869 16.642 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.829 11.466 14.105 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.706 10.147 15.252 1.00 0.00 H new