USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=20 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 -3:sc=0.000289 USER MOD Set 1.2: A 85 CYS SG : rot 112:sc= 0.899 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+ 153:sc=-0.00147 (180deg=-0.769) 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 180:sc= -0.0198 USER MOD Single : A 47 THR OG1 : rot -16:sc= 0.332 USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= -0.0583 (180deg=-0.342) USER MOD Single : A 56 SER OG : rot -80:sc= 0.505 USER MOD Single : A 62 GLN : amide:sc= -0.717 K(o=-0.72,f=-1.6!) USER MOD Single : A 63 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00816) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.295 K(o=-0.3,f=-3.2!) USER MOD Single : A 80 SER OG : rot -66:sc= 1.13 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 170:sc= 0 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 11.146 -14.114 -4.246 1.00 0.00 N ATOM 131 CA TRP A 13 11.290 -12.761 -4.771 1.00 0.00 C ATOM 132 C TRP A 13 11.135 -11.728 -3.660 1.00 0.00 C ATOM 133 O TRP A 13 11.969 -10.834 -3.512 1.00 0.00 O ATOM 134 CB TRP A 13 10.256 -12.506 -5.869 1.00 0.00 C ATOM 135 CG TRP A 13 10.675 -13.026 -7.211 1.00 0.00 C ATOM 136 CD1 TRP A 13 10.121 -14.071 -7.894 1.00 0.00 C ATOM 137 CD2 TRP A 13 11.737 -12.526 -8.030 1.00 0.00 C ATOM 138 NE1 TRP A 13 10.775 -14.251 -9.089 1.00 0.00 N ATOM 139 CE2 TRP A 13 11.770 -13.315 -9.197 1.00 0.00 C ATOM 140 CE3 TRP A 13 12.663 -11.488 -7.893 1.00 0.00 C ATOM 141 CZ2 TRP A 13 12.693 -13.098 -10.217 1.00 0.00 C ATOM 142 CZ3 TRP A 13 13.578 -11.274 -8.906 1.00 0.00 C ATOM 143 CH2 TRP A 13 13.587 -12.075 -10.056 1.00 0.00 C ATOM 0 HA TRP A 13 12.290 -12.666 -5.194 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.312 -12.972 -5.585 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.072 -11.434 -5.944 1.00 0.00 H new ATOM 0 HD1 TRP A 13 9.291 -14.668 -7.546 1.00 0.00 H new ATOM 0 HE1 TRP A 13 10.555 -14.965 -9.783 1.00 0.00 H new ATOM 0 HE3 TRP A 13 12.663 -10.864 -7.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 12.703 -13.715 -11.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 14.299 -10.476 -8.810 1.00 0.00 H new ATOM 0 HH2 TRP A 13 14.314 -11.881 -10.831 1.00 0.00 H new ATOM 154 N ILE A 14 10.065 -11.856 -2.883 1.00 0.00 N ATOM 155 CA ILE A 14 9.804 -10.933 -1.786 1.00 0.00 C ATOM 156 C ILE A 14 10.779 -11.157 -0.635 1.00 0.00 C ATOM 157 O ILE A 14 10.578 -12.040 0.199 1.00 0.00 O ATOM 158 CB ILE A 14 8.364 -11.077 -1.259 1.00 0.00 C ATOM 159 CG1 ILE A 14 7.360 -10.897 -2.400 1.00 0.00 C ATOM 160 CG2 ILE A 14 8.101 -10.069 -0.151 1.00 0.00 C ATOM 161 CD1 ILE A 14 6.079 -11.677 -2.207 1.00 0.00 C ATOM 0 H ILE A 14 9.365 -12.590 -2.993 1.00 0.00 H new ATOM 0 HA ILE A 14 9.938 -9.927 -2.182 1.00 0.00 H new ATOM 0 HB ILE A 14 8.242 -12.079 -0.847 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.120 -9.838 -2.498 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.826 -11.206 -3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.079 -10.184 0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.798 -10.240 0.670 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.238 -9.059 -0.538 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.415 -11.502 -3.054 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.307 -12.741 -2.139 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.590 -11.352 -1.289 1.00 0.00 H new ATOM 173 N VAL A 15 11.835 -10.351 -0.595 1.00 0.00 N ATOM 174 CA VAL A 15 12.840 -10.459 0.455 1.00 0.00 C ATOM 175 C VAL A 15 12.314 -9.913 1.778 1.00 0.00 C ATOM 176 O VAL A 15 12.748 -10.332 2.851 1.00 0.00 O ATOM 177 CB VAL A 15 14.130 -9.706 0.078 1.00 0.00 C ATOM 178 CG1 VAL A 15 13.884 -8.205 0.053 1.00 0.00 C ATOM 179 CG2 VAL A 15 15.252 -10.055 1.043 1.00 0.00 C ATOM 0 H VAL A 15 12.017 -9.616 -1.278 1.00 0.00 H new ATOM 0 HA VAL A 15 13.067 -11.519 0.567 1.00 0.00 H new ATOM 0 HB VAL A 15 14.433 -10.017 -0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.806 -7.690 -0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.113 -7.975 -0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.556 -7.874 1.038 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.155 -9.514 0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 15 14.962 -9.774 2.055 1.00 0.00 H new ATOM 0 HG23 VAL A 15 15.444 -11.127 1.005 1.00 0.00 H new ATOM 189 N TYR A 16 11.377 -8.975 1.693 1.00 0.00 N ATOM 190 CA TYR A 16 10.792 -8.369 2.883 1.00 0.00 C ATOM 191 C TYR A 16 9.527 -7.592 2.534 1.00 0.00 C ATOM 192 O TYR A 16 9.413 -6.989 1.467 1.00 0.00 O ATOM 193 CB TYR A 16 11.804 -7.441 3.558 1.00 0.00 C ATOM 194 CG TYR A 16 11.173 -6.437 4.496 1.00 0.00 C ATOM 195 CD1 TYR A 16 10.347 -5.430 4.013 1.00 0.00 C ATOM 196 CD2 TYR A 16 11.403 -6.495 5.865 1.00 0.00 C ATOM 197 CE1 TYR A 16 9.768 -4.509 4.865 1.00 0.00 C ATOM 198 CE2 TYR A 16 10.827 -5.580 6.725 1.00 0.00 C ATOM 199 CZ TYR A 16 10.011 -4.589 6.221 1.00 0.00 C ATOM 200 OH TYR A 16 9.438 -3.675 7.074 1.00 0.00 O ATOM 0 H TYR A 16 11.006 -8.618 0.812 1.00 0.00 H new ATOM 0 HA TYR A 16 10.525 -9.169 3.573 1.00 0.00 H new ATOM 0 HB2 TYR A 16 12.522 -8.044 4.114 1.00 0.00 H new ATOM 0 HB3 TYR A 16 12.363 -6.907 2.790 1.00 0.00 H new ATOM 0 HD1 TYR A 16 10.154 -5.366 2.952 1.00 0.00 H new ATOM 0 HD2 TYR A 16 12.043 -7.268 6.264 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.129 -3.732 4.472 1.00 0.00 H new ATOM 0 HE2 TYR A 16 11.015 -5.640 7.787 1.00 0.00 H new ATOM 0 HH TYR A 16 9.709 -3.872 7.995 1.00 0.00 H new ATOM 210 N PRO A 17 8.552 -7.606 3.455 1.00 0.00 N ATOM 211 CA PRO A 17 8.676 -8.322 4.728 1.00 0.00 C ATOM 212 C PRO A 17 8.660 -9.836 4.547 1.00 0.00 C ATOM 213 O PRO A 17 8.310 -10.339 3.479 1.00 0.00 O ATOM 214 CB PRO A 17 7.444 -7.864 5.513 1.00 0.00 C ATOM 215 CG PRO A 17 6.453 -7.477 4.471 1.00 0.00 C ATOM 216 CD PRO A 17 7.253 -6.925 3.324 1.00 0.00 C ATOM 0 HA PRO A 17 9.621 -8.106 5.226 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.060 -8.663 6.148 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.680 -7.024 6.166 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.862 -8.337 4.156 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.755 -6.733 4.854 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.782 -7.140 2.365 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.358 -5.842 3.392 1.00 0.00 H new ATOM 224 N SER A 18 9.042 -10.557 5.596 1.00 0.00 N ATOM 225 CA SER A 18 9.074 -12.014 5.551 1.00 0.00 C ATOM 226 C SER A 18 7.903 -12.608 6.328 1.00 0.00 C ATOM 227 O SER A 18 8.093 -13.278 7.342 1.00 0.00 O ATOM 228 CB SER A 18 10.396 -12.533 6.121 1.00 0.00 C ATOM 229 OG SER A 18 11.422 -12.498 5.144 1.00 0.00 O ATOM 0 H SER A 18 9.334 -10.156 6.487 1.00 0.00 H new ATOM 0 HA SER A 18 8.989 -12.323 4.509 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.687 -11.929 6.980 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.265 -13.554 6.479 1.00 0.00 H new ATOM 0 HG SER A 18 12.256 -12.833 5.534 1.00 0.00 H new ATOM 235 N GLY A 19 6.691 -12.356 5.844 1.00 0.00 N ATOM 236 CA GLY A 19 5.506 -12.872 6.504 1.00 0.00 C ATOM 237 C GLY A 19 4.347 -11.897 6.461 1.00 0.00 C ATOM 238 O GLY A 19 4.315 -10.995 5.623 1.00 0.00 O ATOM 0 H GLY A 19 6.508 -11.803 5.006 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.208 -13.807 6.030 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.744 -13.103 7.542 1.00 0.00 H new ATOM 242 N LYS A 20 3.390 -12.077 7.364 1.00 0.00 N ATOM 243 CA LYS A 20 2.222 -11.207 7.427 1.00 0.00 C ATOM 244 C LYS A 20 2.526 -9.944 8.226 1.00 0.00 C ATOM 245 O LYS A 20 3.256 -9.985 9.217 1.00 0.00 O ATOM 246 CB LYS A 20 1.040 -11.949 8.055 1.00 0.00 C ATOM 247 CG LYS A 20 0.356 -12.918 7.106 1.00 0.00 C ATOM 248 CD LYS A 20 -1.082 -13.183 7.521 1.00 0.00 C ATOM 249 CE LYS A 20 -1.174 -14.345 8.499 1.00 0.00 C ATOM 250 NZ LYS A 20 -0.752 -13.949 9.871 1.00 0.00 N ATOM 0 H LYS A 20 3.400 -12.819 8.064 1.00 0.00 H new ATOM 0 HA LYS A 20 1.961 -10.917 6.409 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.389 -12.497 8.930 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.309 -11.220 8.406 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.375 -12.513 6.094 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.908 -13.857 7.083 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.501 -12.287 7.978 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.683 -13.401 6.638 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.199 -14.716 8.527 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.547 -15.165 8.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.229 -14.554 10.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.278 -14.060 9.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.010 -12.956 10.040 1.00 0.00 H new ATOM 264 N VAL A 21 1.960 -8.823 7.791 1.00 0.00 N ATOM 265 CA VAL A 21 2.169 -7.548 8.468 1.00 0.00 C ATOM 266 C VAL A 21 0.853 -6.802 8.653 1.00 0.00 C ATOM 267 O VAL A 21 0.027 -6.743 7.742 1.00 0.00 O ATOM 268 CB VAL A 21 3.149 -6.652 7.688 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.272 -5.290 8.353 1.00 0.00 C ATOM 270 CG2 VAL A 21 4.509 -7.324 7.574 1.00 0.00 C ATOM 0 H VAL A 21 1.353 -8.771 6.973 1.00 0.00 H new ATOM 0 HA VAL A 21 2.595 -7.775 9.445 1.00 0.00 H new ATOM 0 HB VAL A 21 2.757 -6.504 6.682 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.969 -4.671 7.788 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.295 -4.807 8.377 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.641 -5.414 9.371 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.189 -6.677 7.020 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.911 -7.504 8.571 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.403 -8.273 7.049 1.00 0.00 H new ATOM 280 N TYR A 22 0.663 -6.233 9.839 1.00 0.00 N ATOM 281 CA TYR A 22 -0.554 -5.492 10.145 1.00 0.00 C ATOM 282 C TYR A 22 -0.291 -3.989 10.147 1.00 0.00 C ATOM 283 O TYR A 22 0.749 -3.530 10.620 1.00 0.00 O ATOM 284 CB TYR A 22 -1.113 -5.925 11.501 1.00 0.00 C ATOM 285 CG TYR A 22 -1.862 -7.238 11.456 1.00 0.00 C ATOM 286 CD1 TYR A 22 -1.295 -8.365 10.875 1.00 0.00 C ATOM 287 CD2 TYR A 22 -3.138 -7.351 11.996 1.00 0.00 C ATOM 288 CE1 TYR A 22 -1.976 -9.566 10.831 1.00 0.00 C ATOM 289 CE2 TYR A 22 -3.826 -8.548 11.957 1.00 0.00 C ATOM 290 CZ TYR A 22 -3.241 -9.652 11.374 1.00 0.00 C ATOM 291 OH TYR A 22 -3.923 -10.847 11.333 1.00 0.00 O ATOM 0 H TYR A 22 1.337 -6.271 10.604 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.288 -5.713 9.370 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.292 -6.009 12.213 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.780 -5.148 11.874 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.304 -8.301 10.450 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.599 -6.488 12.454 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.521 -10.432 10.374 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.817 -8.619 12.381 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.799 -10.739 11.759 1.00 0.00 H new ATOM 301 N VAL A 23 -1.242 -3.227 9.616 1.00 0.00 N ATOM 302 CA VAL A 23 -1.115 -1.776 9.558 1.00 0.00 C ATOM 303 C VAL A 23 -2.464 -1.098 9.771 1.00 0.00 C ATOM 304 O VAL A 23 -3.418 -1.345 9.034 1.00 0.00 O ATOM 305 CB VAL A 23 -0.530 -1.317 8.209 1.00 0.00 C ATOM 306 CG1 VAL A 23 -0.305 0.187 8.208 1.00 0.00 C ATOM 307 CG2 VAL A 23 0.765 -2.058 7.911 1.00 0.00 C ATOM 0 H VAL A 23 -2.109 -3.591 9.220 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.434 -1.485 10.358 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.247 -1.553 7.423 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.109 0.492 7.247 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.254 0.697 8.373 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.392 0.451 9.003 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.165 -1.722 6.954 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.490 -1.855 8.699 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.569 -3.129 7.866 1.00 0.00 H new ATOM 317 N ALA A 24 -2.536 -0.242 10.785 1.00 0.00 N ATOM 318 CA ALA A 24 -3.767 0.475 11.094 1.00 0.00 C ATOM 319 C ALA A 24 -3.721 1.902 10.559 1.00 0.00 C ATOM 320 O ALA A 24 -2.808 2.665 10.876 1.00 0.00 O ATOM 321 CB ALA A 24 -4.011 0.480 12.596 1.00 0.00 C ATOM 0 H ALA A 24 -1.756 -0.028 11.407 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.592 -0.042 10.604 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.933 1.019 12.813 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.097 -0.546 12.954 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.177 0.971 13.098 1.00 0.00 H new ATOM 327 N ALA A 25 -4.710 2.256 9.746 1.00 0.00 N ATOM 328 CA ALA A 25 -4.783 3.593 9.168 1.00 0.00 C ATOM 329 C ALA A 25 -6.101 4.273 9.523 1.00 0.00 C ATOM 330 O ALA A 25 -6.966 3.677 10.164 1.00 0.00 O ATOM 331 CB ALA A 25 -4.612 3.524 7.658 1.00 0.00 C ATOM 0 H ALA A 25 -5.472 1.636 9.472 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.973 4.189 9.588 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.669 4.529 7.239 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.642 3.086 7.421 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.403 2.908 7.230 1.00 0.00 H new ATOM 337 N VAL A 26 -6.246 5.526 9.103 1.00 0.00 N ATOM 338 CA VAL A 26 -7.459 6.288 9.376 1.00 0.00 C ATOM 339 C VAL A 26 -7.992 6.945 8.108 1.00 0.00 C ATOM 340 O VAL A 26 -7.242 7.202 7.167 1.00 0.00 O ATOM 341 CB VAL A 26 -7.211 7.375 10.439 1.00 0.00 C ATOM 342 CG1 VAL A 26 -8.506 7.723 11.158 1.00 0.00 C ATOM 343 CG2 VAL A 26 -6.148 6.920 11.428 1.00 0.00 C ATOM 0 H VAL A 26 -5.539 6.035 8.573 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.198 5.582 9.754 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.848 8.273 9.939 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.312 8.492 11.905 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.234 8.093 10.437 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.901 6.833 11.648 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.985 7.700 12.172 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.480 6.008 11.925 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.216 6.725 10.897 1.00 0.00 H new ATOM 353 N ARG A 27 -9.294 7.215 8.090 1.00 0.00 N ATOM 354 CA ARG A 27 -9.928 7.842 6.937 1.00 0.00 C ATOM 355 C ARG A 27 -9.098 9.018 6.432 1.00 0.00 C ATOM 356 O ARG A 27 -8.889 9.998 7.149 1.00 0.00 O ATOM 357 CB ARG A 27 -11.337 8.316 7.299 1.00 0.00 C ATOM 358 CG ARG A 27 -12.083 8.952 6.137 1.00 0.00 C ATOM 359 CD ARG A 27 -13.586 8.768 6.272 1.00 0.00 C ATOM 360 NE ARG A 27 -14.329 9.866 5.660 1.00 0.00 N ATOM 361 CZ ARG A 27 -15.568 10.197 6.005 1.00 0.00 C ATOM 362 NH1 ARG A 27 -16.200 9.519 6.953 1.00 0.00 N ATOM 363 NH2 ARG A 27 -16.178 11.210 5.401 1.00 0.00 N ATOM 0 H ARG A 27 -9.929 7.009 8.861 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.994 7.099 6.142 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.913 7.468 7.669 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.271 9.036 8.115 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -11.848 10.015 6.091 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -11.744 8.510 5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -13.879 7.828 5.806 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -13.849 8.696 7.327 1.00 0.00 H new ATOM 0 HE ARG A 27 -13.871 10.408 4.927 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -15.735 8.741 7.420 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -17.152 9.776 7.216 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -15.695 11.734 4.672 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -17.130 11.464 5.666 1.00 0.00 H new ATOM 377 N LEU A 28 -8.626 8.915 5.195 1.00 0.00 N ATOM 378 CA LEU A 28 -7.818 9.970 4.593 1.00 0.00 C ATOM 379 C LEU A 28 -6.485 10.116 5.321 1.00 0.00 C ATOM 380 O LEU A 28 -5.997 11.228 5.524 1.00 0.00 O ATOM 381 CB LEU A 28 -8.576 11.298 4.621 1.00 0.00 C ATOM 382 CG LEU A 28 -10.019 11.258 4.118 1.00 0.00 C ATOM 383 CD1 LEU A 28 -10.720 12.577 4.402 1.00 0.00 C ATOM 384 CD2 LEU A 28 -10.057 10.942 2.630 1.00 0.00 C ATOM 0 H LEU A 28 -8.789 8.111 4.589 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.617 9.695 3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.580 11.670 5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.023 12.021 4.022 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.547 10.467 4.651 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.746 12.530 4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.725 12.762 5.476 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.192 13.386 3.897 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.092 10.918 2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.512 11.710 2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.594 9.972 2.452 1.00 0.00 H new ATOM 396 N GLU A 29 -5.901 8.987 5.709 1.00 0.00 N ATOM 397 CA GLU A 29 -4.624 8.991 6.412 1.00 0.00 C ATOM 398 C GLU A 29 -3.475 8.681 5.457 1.00 0.00 C ATOM 399 O GLU A 29 -3.677 8.082 4.400 1.00 0.00 O ATOM 400 CB GLU A 29 -4.642 7.971 7.553 1.00 0.00 C ATOM 401 CG GLU A 29 -3.332 7.893 8.320 1.00 0.00 C ATOM 402 CD GLU A 29 -3.046 9.152 9.115 1.00 0.00 C ATOM 403 OE1 GLU A 29 -4.001 9.736 9.667 1.00 0.00 O ATOM 404 OE2 GLU A 29 -1.865 9.553 9.184 1.00 0.00 O ATOM 0 H GLU A 29 -6.292 8.059 5.548 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.470 9.987 6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.444 8.227 8.245 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.874 6.987 7.146 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.362 7.039 8.997 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.515 7.716 7.620 1.00 0.00 H new ATOM 411 N ARG A 30 -2.270 9.094 5.836 1.00 0.00 N ATOM 412 CA ARG A 30 -1.089 8.862 5.012 1.00 0.00 C ATOM 413 C ARG A 30 -0.328 7.629 5.488 1.00 0.00 C ATOM 414 O ARG A 30 0.341 7.660 6.522 1.00 0.00 O ATOM 415 CB ARG A 30 -0.172 10.086 5.045 1.00 0.00 C ATOM 416 CG ARG A 30 1.108 9.908 4.245 1.00 0.00 C ATOM 417 CD ARG A 30 2.221 9.320 5.097 1.00 0.00 C ATOM 418 NE ARG A 30 3.543 9.597 4.540 1.00 0.00 N ATOM 419 CZ ARG A 30 4.150 10.774 4.640 1.00 0.00 C ATOM 420 NH1 ARG A 30 3.559 11.778 5.273 1.00 0.00 N ATOM 421 NH2 ARG A 30 5.353 10.949 4.107 1.00 0.00 N ATOM 0 H ARG A 30 -2.086 9.591 6.708 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.418 8.690 3.987 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.716 10.948 4.658 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.085 10.310 6.080 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.918 9.256 3.393 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.425 10.871 3.845 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.160 9.729 6.105 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.082 8.242 5.181 1.00 0.00 H new ATOM 0 HE ARG A 30 4.026 8.846 4.048 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.635 11.648 5.685 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.028 12.681 5.348 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.812 10.179 3.620 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.818 11.853 4.184 1.00 0.00 H new ATOM 435 N VAL A 31 -0.434 6.544 4.728 1.00 0.00 N ATOM 436 CA VAL A 31 0.245 5.300 5.071 1.00 0.00 C ATOM 437 C VAL A 31 1.431 5.048 4.147 1.00 0.00 C ATOM 438 O VAL A 31 1.490 5.577 3.037 1.00 0.00 O ATOM 439 CB VAL A 31 -0.715 4.098 4.996 1.00 0.00 C ATOM 440 CG1 VAL A 31 -1.942 4.338 5.863 1.00 0.00 C ATOM 441 CG2 VAL A 31 -1.116 3.826 3.554 1.00 0.00 C ATOM 0 H VAL A 31 -0.984 6.501 3.870 1.00 0.00 H new ATOM 0 HA VAL A 31 0.603 5.407 6.095 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.197 3.218 5.378 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.608 3.478 5.797 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.634 4.479 6.899 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.465 5.229 5.515 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.794 2.974 3.520 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.615 4.704 3.143 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.226 3.606 2.964 1.00 0.00 H new ATOM 451 N VAL A 32 2.375 4.237 4.613 1.00 0.00 N ATOM 452 CA VAL A 32 3.560 3.913 3.828 1.00 0.00 C ATOM 453 C VAL A 32 3.937 2.444 3.983 1.00 0.00 C ATOM 454 O VAL A 32 4.438 2.027 5.029 1.00 0.00 O ATOM 455 CB VAL A 32 4.761 4.786 4.239 1.00 0.00 C ATOM 456 CG1 VAL A 32 5.996 4.406 3.436 1.00 0.00 C ATOM 457 CG2 VAL A 32 4.432 6.260 4.061 1.00 0.00 C ATOM 0 H VAL A 32 2.342 3.792 5.530 1.00 0.00 H new ATOM 0 HA VAL A 32 3.314 4.114 2.785 1.00 0.00 H new ATOM 0 HB VAL A 32 4.974 4.609 5.293 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.834 5.033 3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.241 3.360 3.618 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.799 4.553 2.374 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.291 6.863 4.356 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.193 6.456 3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.576 6.519 4.684 1.00 0.00 H new ATOM 467 N LEU A 33 3.694 1.663 2.937 1.00 0.00 N ATOM 468 CA LEU A 33 4.009 0.238 2.955 1.00 0.00 C ATOM 469 C LEU A 33 5.470 -0.001 2.590 1.00 0.00 C ATOM 470 O LEU A 33 6.009 0.637 1.686 1.00 0.00 O ATOM 471 CB LEU A 33 3.099 -0.518 1.986 1.00 0.00 C ATOM 472 CG LEU A 33 1.797 -1.064 2.574 1.00 0.00 C ATOM 473 CD1 LEU A 33 1.163 -0.044 3.507 1.00 0.00 C ATOM 474 CD2 LEU A 33 0.830 -1.448 1.464 1.00 0.00 C ATOM 0 H LEU A 33 3.280 1.992 2.065 1.00 0.00 H new ATOM 0 HA LEU A 33 3.841 -0.133 3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.850 0.147 1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.662 -1.351 1.566 1.00 0.00 H new ATOM 0 HG LEU A 33 2.029 -1.959 3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.238 -0.450 3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.851 0.181 4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.945 0.869 2.953 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.091 -1.834 1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.604 -0.570 0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.283 -2.215 0.836 1.00 0.00 H new ATOM 486 N THR A 34 6.108 -0.928 3.299 1.00 0.00 N ATOM 487 CA THR A 34 7.506 -1.253 3.050 1.00 0.00 C ATOM 488 C THR A 34 7.648 -2.646 2.448 1.00 0.00 C ATOM 489 O THR A 34 7.357 -3.648 3.102 1.00 0.00 O ATOM 490 CB THR A 34 8.340 -1.178 4.343 1.00 0.00 C ATOM 491 OG1 THR A 34 7.971 -0.017 5.097 1.00 0.00 O ATOM 492 CG2 THR A 34 9.827 -1.133 4.027 1.00 0.00 C ATOM 0 H THR A 34 5.677 -1.467 4.051 1.00 0.00 H new ATOM 0 HA THR A 34 7.880 -0.514 2.342 1.00 0.00 H new ATOM 0 HB THR A 34 8.138 -2.073 4.932 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.504 0.023 5.918 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.395 -1.080 4.956 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.110 -2.032 3.479 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.043 -0.255 3.419 1.00 0.00 H new ATOM 500 N CYS A 35 8.096 -2.703 1.199 1.00 0.00 N ATOM 501 CA CYS A 35 8.277 -3.975 0.508 1.00 0.00 C ATOM 502 C CYS A 35 9.592 -3.993 -0.264 1.00 0.00 C ATOM 503 O CYS A 35 9.723 -3.339 -1.299 1.00 0.00 O ATOM 504 CB CYS A 35 7.108 -4.232 -0.445 1.00 0.00 C ATOM 505 SG CYS A 35 6.737 -5.982 -0.703 1.00 0.00 S ATOM 0 H CYS A 35 8.341 -1.883 0.644 1.00 0.00 H new ATOM 0 HA CYS A 35 8.307 -4.766 1.257 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.219 -3.737 -0.054 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.331 -3.773 -1.408 1.00 0.00 H new ATOM 0 HG CYS A 35 7.598 -6.708 -0.053 1.00 0.00 H new ATOM 511 N GLU A 36 10.562 -4.744 0.247 1.00 0.00 N ATOM 512 CA GLU A 36 11.868 -4.844 -0.394 1.00 0.00 C ATOM 513 C GLU A 36 11.943 -6.080 -1.285 1.00 0.00 C ATOM 514 O GLU A 36 11.168 -7.024 -1.124 1.00 0.00 O ATOM 515 CB GLU A 36 12.976 -4.892 0.660 1.00 0.00 C ATOM 516 CG GLU A 36 14.376 -4.791 0.077 1.00 0.00 C ATOM 517 CD GLU A 36 15.357 -4.133 1.027 1.00 0.00 C ATOM 518 OE1 GLU A 36 15.831 -4.818 1.957 1.00 0.00 O ATOM 519 OE2 GLU A 36 15.651 -2.933 0.840 1.00 0.00 O ATOM 0 H GLU A 36 10.469 -5.292 1.102 1.00 0.00 H new ATOM 0 HA GLU A 36 12.008 -3.960 -1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.827 -4.077 1.369 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.892 -5.822 1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.734 -5.789 -0.175 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.339 -4.222 -0.852 1.00 0.00 H new ATOM 526 N LEU A 37 12.882 -6.068 -2.226 1.00 0.00 N ATOM 527 CA LEU A 37 13.059 -7.188 -3.143 1.00 0.00 C ATOM 528 C LEU A 37 14.519 -7.628 -3.190 1.00 0.00 C ATOM 529 O LEU A 37 15.416 -6.880 -2.799 1.00 0.00 O ATOM 530 CB LEU A 37 12.585 -6.803 -4.546 1.00 0.00 C ATOM 531 CG LEU A 37 11.175 -6.222 -4.642 1.00 0.00 C ATOM 532 CD1 LEU A 37 10.892 -5.737 -6.055 1.00 0.00 C ATOM 533 CD2 LEU A 37 10.142 -7.254 -4.214 1.00 0.00 C ATOM 0 H LEU A 37 13.532 -5.295 -2.373 1.00 0.00 H new ATOM 0 HA LEU A 37 12.459 -8.022 -2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.285 -6.076 -4.957 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.636 -7.688 -5.180 1.00 0.00 H new ATOM 0 HG LEU A 37 11.108 -5.369 -3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.883 -5.327 -6.104 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.612 -4.964 -6.325 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.978 -6.572 -6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.144 -6.822 -4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.209 -8.127 -4.863 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.332 -7.553 -3.183 1.00 0.00 H new ATOM 545 N CYS A 38 14.750 -8.844 -3.672 1.00 0.00 N ATOM 546 CA CYS A 38 16.102 -9.383 -3.772 1.00 0.00 C ATOM 547 C CYS A 38 16.751 -8.982 -5.092 1.00 0.00 C ATOM 548 O CYS A 38 17.812 -9.491 -5.454 1.00 0.00 O ATOM 549 CB CYS A 38 16.076 -10.906 -3.644 1.00 0.00 C ATOM 550 SG CYS A 38 17.655 -11.632 -3.144 1.00 0.00 S ATOM 0 H CYS A 38 14.019 -9.475 -4.000 1.00 0.00 H new ATOM 0 HA CYS A 38 16.694 -8.967 -2.957 1.00 0.00 H new ATOM 0 HB2 CYS A 38 15.313 -11.186 -2.917 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.778 -11.335 -4.600 1.00 0.00 H new ATOM 0 HG CYS A 38 17.532 -12.924 -3.061 1.00 0.00 H new ATOM 556 N ARG A 39 16.106 -8.067 -5.809 1.00 0.00 N ATOM 557 CA ARG A 39 16.620 -7.600 -7.091 1.00 0.00 C ATOM 558 C ARG A 39 16.235 -6.143 -7.333 1.00 0.00 C ATOM 559 O ARG A 39 15.125 -5.709 -7.024 1.00 0.00 O ATOM 560 CB ARG A 39 16.087 -8.474 -8.227 1.00 0.00 C ATOM 561 CG ARG A 39 16.866 -9.765 -8.420 1.00 0.00 C ATOM 562 CD ARG A 39 18.241 -9.502 -9.014 1.00 0.00 C ATOM 563 NE ARG A 39 19.123 -10.658 -8.885 1.00 0.00 N ATOM 564 CZ ARG A 39 19.872 -10.896 -7.814 1.00 0.00 C ATOM 565 NH1 ARG A 39 19.845 -10.062 -6.784 1.00 0.00 N ATOM 566 NH2 ARG A 39 20.649 -11.971 -7.771 1.00 0.00 N ATOM 0 H ARG A 39 15.227 -7.635 -5.524 1.00 0.00 H new ATOM 0 HA ARG A 39 17.707 -7.672 -7.066 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.043 -8.716 -8.029 1.00 0.00 H new ATOM 0 HB3 ARG A 39 16.111 -7.903 -9.155 1.00 0.00 H new ATOM 0 HG2 ARG A 39 16.974 -10.273 -7.462 1.00 0.00 H new ATOM 0 HG3 ARG A 39 16.307 -10.434 -9.075 1.00 0.00 H new ATOM 0 HD2 ARG A 39 18.137 -9.241 -10.067 1.00 0.00 H new ATOM 0 HD3 ARG A 39 18.693 -8.644 -8.516 1.00 0.00 H new ATOM 0 HE ARG A 39 19.167 -11.320 -9.660 1.00 0.00 H new ATOM 0 HH11 ARG A 39 19.248 -9.235 -6.813 1.00 0.00 H new ATOM 0 HH12 ARG A 39 20.421 -10.247 -5.963 1.00 0.00 H new ATOM 0 HH21 ARG A 39 20.672 -12.616 -8.561 1.00 0.00 H new ATOM 0 HH22 ARG A 39 21.224 -12.152 -6.948 1.00 0.00 H new ATOM 580 N PRO A 40 17.173 -5.369 -7.898 1.00 0.00 N ATOM 581 CA PRO A 40 16.956 -3.949 -8.193 1.00 0.00 C ATOM 582 C PRO A 40 15.959 -3.740 -9.328 1.00 0.00 C ATOM 583 O PRO A 40 14.996 -2.985 -9.190 1.00 0.00 O ATOM 584 CB PRO A 40 18.345 -3.455 -8.604 1.00 0.00 C ATOM 585 CG PRO A 40 19.046 -4.670 -9.107 1.00 0.00 C ATOM 586 CD PRO A 40 18.518 -5.819 -8.293 1.00 0.00 C ATOM 0 HA PRO A 40 16.534 -3.415 -7.341 1.00 0.00 H new ATOM 0 HB2 PRO A 40 18.280 -2.688 -9.375 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.874 -3.014 -7.759 1.00 0.00 H new ATOM 0 HG2 PRO A 40 18.851 -4.822 -10.169 1.00 0.00 H new ATOM 0 HG3 PRO A 40 20.126 -4.574 -8.992 1.00 0.00 H new ATOM 0 HD2 PRO A 40 18.479 -6.739 -8.876 1.00 0.00 H new ATOM 0 HD3 PRO A 40 19.146 -6.018 -7.425 1.00 0.00 H new ATOM 594 N TRP A 41 16.196 -4.412 -10.449 1.00 0.00 N ATOM 595 CA TRP A 41 15.318 -4.299 -11.608 1.00 0.00 C ATOM 596 C TRP A 41 14.131 -5.248 -11.486 1.00 0.00 C ATOM 597 O TRP A 41 13.523 -5.628 -12.487 1.00 0.00 O ATOM 598 CB TRP A 41 16.094 -4.595 -12.892 1.00 0.00 C ATOM 599 CG TRP A 41 17.120 -5.675 -12.730 1.00 0.00 C ATOM 600 CD1 TRP A 41 18.473 -5.512 -12.632 1.00 0.00 C ATOM 601 CD2 TRP A 41 16.877 -7.084 -12.650 1.00 0.00 C ATOM 602 NE1 TRP A 41 19.085 -6.735 -12.495 1.00 0.00 N ATOM 603 CE2 TRP A 41 18.127 -7.715 -12.503 1.00 0.00 C ATOM 604 CE3 TRP A 41 15.724 -7.873 -12.686 1.00 0.00 C ATOM 605 CZ2 TRP A 41 18.255 -9.097 -12.393 1.00 0.00 C ATOM 606 CZ3 TRP A 41 15.852 -9.245 -12.578 1.00 0.00 C ATOM 607 CH2 TRP A 41 17.110 -9.845 -12.432 1.00 0.00 C ATOM 0 H TRP A 41 16.989 -5.041 -10.580 1.00 0.00 H new ATOM 0 HA TRP A 41 14.940 -3.278 -11.648 1.00 0.00 H new ATOM 0 HB2 TRP A 41 15.392 -4.885 -13.674 1.00 0.00 H new ATOM 0 HB3 TRP A 41 16.587 -3.683 -13.229 1.00 0.00 H new ATOM 0 HD1 TRP A 41 18.986 -4.562 -12.658 1.00 0.00 H new ATOM 0 HE1 TRP A 41 20.089 -6.888 -12.402 1.00 0.00 H new ATOM 0 HE3 TRP A 41 14.750 -7.419 -12.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 19.223 -9.562 -12.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 14.968 -9.865 -12.607 1.00 0.00 H new ATOM 0 HH2 TRP A 41 17.177 -10.920 -12.349 1.00 0.00 H new ATOM 618 N ALA A 42 13.805 -5.626 -10.255 1.00 0.00 N ATOM 619 CA ALA A 42 12.689 -6.529 -10.003 1.00 0.00 C ATOM 620 C ALA A 42 11.366 -5.772 -9.976 1.00 0.00 C ATOM 621 O ALA A 42 11.098 -5.006 -9.051 1.00 0.00 O ATOM 622 CB ALA A 42 12.899 -7.276 -8.694 1.00 0.00 C ATOM 0 H ALA A 42 14.298 -5.321 -9.416 1.00 0.00 H new ATOM 0 HA ALA A 42 12.648 -7.252 -10.818 1.00 0.00 H new ATOM 0 HB1 ALA A 42 12.058 -7.947 -8.519 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.820 -7.856 -8.750 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.970 -6.561 -7.874 1.00 0.00 H new ATOM 628 N GLU A 43 10.543 -5.991 -10.996 1.00 0.00 N ATOM 629 CA GLU A 43 9.248 -5.327 -11.089 1.00 0.00 C ATOM 630 C GLU A 43 8.186 -6.094 -10.306 1.00 0.00 C ATOM 631 O GLU A 43 8.098 -7.319 -10.394 1.00 0.00 O ATOM 632 CB GLU A 43 8.821 -5.193 -12.552 1.00 0.00 C ATOM 633 CG GLU A 43 9.504 -4.050 -13.283 1.00 0.00 C ATOM 634 CD GLU A 43 9.204 -4.045 -14.769 1.00 0.00 C ATOM 635 OE1 GLU A 43 9.091 -5.142 -15.356 1.00 0.00 O ATOM 636 OE2 GLU A 43 9.082 -2.944 -15.346 1.00 0.00 O ATOM 0 H GLU A 43 10.750 -6.623 -11.770 1.00 0.00 H new ATOM 0 HA GLU A 43 9.347 -4.332 -10.655 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.037 -6.126 -13.072 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.742 -5.047 -12.595 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.184 -3.103 -12.848 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.581 -4.121 -13.134 1.00 0.00 H new ATOM 643 N VAL A 44 7.381 -5.364 -9.540 1.00 0.00 N ATOM 644 CA VAL A 44 6.325 -5.975 -8.742 1.00 0.00 C ATOM 645 C VAL A 44 4.956 -5.431 -9.134 1.00 0.00 C ATOM 646 O VAL A 44 4.852 -4.505 -9.939 1.00 0.00 O ATOM 647 CB VAL A 44 6.548 -5.734 -7.237 1.00 0.00 C ATOM 648 CG1 VAL A 44 7.892 -6.298 -6.800 1.00 0.00 C ATOM 649 CG2 VAL A 44 6.453 -4.251 -6.915 1.00 0.00 C ATOM 0 H VAL A 44 7.440 -4.349 -9.455 1.00 0.00 H new ATOM 0 HA VAL A 44 6.358 -7.046 -8.940 1.00 0.00 H new ATOM 0 HB VAL A 44 5.765 -6.253 -6.684 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.033 -6.119 -5.734 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.917 -7.370 -6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.691 -5.810 -7.358 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.613 -4.099 -5.848 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.213 -3.707 -7.477 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.465 -3.882 -7.190 1.00 0.00 H new ATOM 659 N ARG A 45 3.907 -6.012 -8.560 1.00 0.00 N ATOM 660 CA ARG A 45 2.544 -5.586 -8.851 1.00 0.00 C ATOM 661 C ARG A 45 1.630 -5.834 -7.654 1.00 0.00 C ATOM 662 O ARG A 45 1.558 -6.948 -7.135 1.00 0.00 O ATOM 663 CB ARG A 45 2.006 -6.325 -10.078 1.00 0.00 C ATOM 664 CG ARG A 45 0.595 -5.915 -10.466 1.00 0.00 C ATOM 665 CD ARG A 45 0.133 -6.631 -11.726 1.00 0.00 C ATOM 666 NE ARG A 45 1.023 -6.378 -12.856 1.00 0.00 N ATOM 667 CZ ARG A 45 1.090 -7.160 -13.928 1.00 0.00 C ATOM 668 NH1 ARG A 45 0.323 -8.238 -14.015 1.00 0.00 N ATOM 669 NH2 ARG A 45 1.925 -6.864 -14.916 1.00 0.00 N ATOM 0 H ARG A 45 3.976 -6.779 -7.891 1.00 0.00 H new ATOM 0 HA ARG A 45 2.561 -4.516 -9.059 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.673 -6.145 -10.921 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.023 -7.397 -9.882 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.088 -6.140 -9.647 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.559 -4.837 -10.625 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.084 -7.703 -11.536 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.876 -6.305 -11.979 1.00 0.00 H new ATOM 0 HE ARG A 45 1.626 -5.556 -12.820 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.320 -8.469 -13.258 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.376 -8.837 -14.839 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.516 -6.035 -14.853 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.975 -7.465 -15.738 1.00 0.00 H new ATOM 683 N TRP A 46 0.935 -4.788 -7.221 1.00 0.00 N ATOM 684 CA TRP A 46 0.027 -4.892 -6.084 1.00 0.00 C ATOM 685 C TRP A 46 -1.379 -5.264 -6.543 1.00 0.00 C ATOM 686 O TRP A 46 -1.843 -4.808 -7.589 1.00 0.00 O ATOM 687 CB TRP A 46 -0.008 -3.573 -5.311 1.00 0.00 C ATOM 688 CG TRP A 46 1.330 -3.162 -4.776 1.00 0.00 C ATOM 689 CD1 TRP A 46 2.370 -2.634 -5.488 1.00 0.00 C ATOM 690 CD2 TRP A 46 1.774 -3.247 -3.418 1.00 0.00 C ATOM 691 NE1 TRP A 46 3.433 -2.386 -4.653 1.00 0.00 N ATOM 692 CE2 TRP A 46 3.092 -2.753 -3.378 1.00 0.00 C ATOM 693 CE3 TRP A 46 1.185 -3.691 -2.231 1.00 0.00 C ATOM 694 CZ2 TRP A 46 3.828 -2.692 -2.198 1.00 0.00 C ATOM 695 CZ3 TRP A 46 1.917 -3.631 -1.060 1.00 0.00 C ATOM 696 CH2 TRP A 46 3.227 -3.134 -1.051 1.00 0.00 C ATOM 0 H TRP A 46 0.983 -3.859 -7.639 1.00 0.00 H new ATOM 0 HA TRP A 46 0.395 -5.680 -5.427 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.387 -2.787 -5.965 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.710 -3.664 -4.482 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.358 -2.440 -6.550 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.330 -1.993 -4.937 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.175 -4.074 -2.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 4.838 -2.309 -2.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 1.472 -3.973 -0.137 1.00 0.00 H new ATOM 0 HH2 TRP A 46 3.773 -3.099 -0.120 1.00 0.00 H new ATOM 707 N THR A 47 -2.053 -6.096 -5.755 1.00 0.00 N ATOM 708 CA THR A 47 -3.406 -6.529 -6.081 1.00 0.00 C ATOM 709 C THR A 47 -4.313 -6.468 -4.858 1.00 0.00 C ATOM 710 O THR A 47 -3.994 -7.022 -3.806 1.00 0.00 O ATOM 711 CB THR A 47 -3.416 -7.964 -6.642 1.00 0.00 C ATOM 712 OG1 THR A 47 -2.749 -8.849 -5.735 1.00 0.00 O ATOM 713 CG2 THR A 47 -2.737 -8.018 -8.003 1.00 0.00 C ATOM 0 H THR A 47 -1.684 -6.483 -4.887 1.00 0.00 H new ATOM 0 HA THR A 47 -3.782 -5.846 -6.843 1.00 0.00 H new ATOM 0 HB THR A 47 -4.453 -8.278 -6.759 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.213 -8.326 -5.103 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.756 -9.041 -8.379 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.265 -7.366 -8.699 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.703 -7.686 -7.907 1.00 0.00 H new ATOM 721 N LYS A 48 -5.448 -5.791 -5.002 1.00 0.00 N ATOM 722 CA LYS A 48 -6.404 -5.658 -3.909 1.00 0.00 C ATOM 723 C LYS A 48 -7.564 -6.633 -4.080 1.00 0.00 C ATOM 724 O LYS A 48 -8.486 -6.385 -4.857 1.00 0.00 O ATOM 725 CB LYS A 48 -6.935 -4.225 -3.840 1.00 0.00 C ATOM 726 CG LYS A 48 -7.684 -3.914 -2.556 1.00 0.00 C ATOM 727 CD LYS A 48 -8.081 -2.450 -2.482 1.00 0.00 C ATOM 728 CE LYS A 48 -9.002 -2.181 -1.301 1.00 0.00 C ATOM 729 NZ LYS A 48 -10.302 -2.895 -1.439 1.00 0.00 N ATOM 0 H LYS A 48 -5.728 -5.326 -5.866 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.888 -5.893 -2.978 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.100 -3.532 -3.940 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.597 -4.051 -4.688 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.576 -4.537 -2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.059 -4.166 -1.699 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.186 -1.833 -2.395 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.579 -2.160 -3.407 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.512 -2.494 -0.379 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.183 -1.109 -1.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.003 -2.466 -0.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.636 -2.822 -2.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.176 -3.897 -1.190 1.00 0.00 H new ATOM 743 N ASP A 49 -7.512 -7.741 -3.349 1.00 0.00 N ATOM 744 CA ASP A 49 -8.561 -8.753 -3.418 1.00 0.00 C ATOM 745 C ASP A 49 -8.611 -9.389 -4.803 1.00 0.00 C ATOM 746 O ASP A 49 -9.686 -9.700 -5.316 1.00 0.00 O ATOM 747 CB ASP A 49 -9.918 -8.135 -3.077 1.00 0.00 C ATOM 748 CG ASP A 49 -9.960 -7.571 -1.670 1.00 0.00 C ATOM 749 OD1 ASP A 49 -9.794 -8.354 -0.711 1.00 0.00 O ATOM 750 OD2 ASP A 49 -10.158 -6.347 -1.528 1.00 0.00 O ATOM 0 H ASP A 49 -6.755 -7.962 -2.702 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.331 -9.530 -2.689 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.142 -7.342 -3.790 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.696 -8.891 -3.186 1.00 0.00 H new ATOM 755 N GLY A 50 -7.441 -9.579 -5.405 1.00 0.00 N ATOM 756 CA GLY A 50 -7.375 -10.176 -6.726 1.00 0.00 C ATOM 757 C GLY A 50 -7.327 -9.138 -7.830 1.00 0.00 C ATOM 758 O GLY A 50 -6.728 -9.367 -8.880 1.00 0.00 O ATOM 0 H GLY A 50 -6.538 -9.330 -5.002 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.492 -10.811 -6.790 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.242 -10.820 -6.874 1.00 0.00 H new ATOM 762 N GLU A 51 -7.962 -7.994 -7.593 1.00 0.00 N ATOM 763 CA GLU A 51 -7.991 -6.919 -8.577 1.00 0.00 C ATOM 764 C GLU A 51 -6.693 -6.117 -8.545 1.00 0.00 C ATOM 765 O GLU A 51 -6.309 -5.580 -7.507 1.00 0.00 O ATOM 766 CB GLU A 51 -9.181 -5.993 -8.319 1.00 0.00 C ATOM 767 CG GLU A 51 -10.529 -6.677 -8.476 1.00 0.00 C ATOM 768 CD GLU A 51 -11.604 -6.056 -7.605 1.00 0.00 C ATOM 769 OE1 GLU A 51 -12.203 -5.046 -8.031 1.00 0.00 O ATOM 770 OE2 GLU A 51 -11.845 -6.580 -6.498 1.00 0.00 O ATOM 0 H GLU A 51 -8.463 -7.788 -6.729 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.097 -7.368 -9.564 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.104 -5.588 -7.310 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.129 -5.148 -9.006 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.838 -6.626 -9.520 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.428 -7.733 -8.224 1.00 0.00 H new ATOM 777 N GLU A 52 -6.022 -6.042 -9.690 1.00 0.00 N ATOM 778 CA GLU A 52 -4.766 -5.307 -9.793 1.00 0.00 C ATOM 779 C GLU A 52 -4.990 -3.814 -9.571 1.00 0.00 C ATOM 780 O GLU A 52 -5.680 -3.156 -10.350 1.00 0.00 O ATOM 781 CB GLU A 52 -4.124 -5.540 -11.162 1.00 0.00 C ATOM 782 CG GLU A 52 -2.934 -4.635 -11.437 1.00 0.00 C ATOM 783 CD GLU A 52 -2.446 -4.734 -12.870 1.00 0.00 C ATOM 784 OE1 GLU A 52 -2.711 -5.768 -13.518 1.00 0.00 O ATOM 785 OE2 GLU A 52 -1.800 -3.776 -13.343 1.00 0.00 O ATOM 0 H GLU A 52 -6.327 -6.481 -10.559 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.094 -5.675 -9.018 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.803 -6.579 -11.232 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.874 -5.385 -11.937 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.210 -3.603 -11.221 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.120 -4.896 -10.761 1.00 0.00 H new ATOM 792 N VAL A 53 -4.403 -3.286 -8.502 1.00 0.00 N ATOM 793 CA VAL A 53 -4.537 -1.871 -8.177 1.00 0.00 C ATOM 794 C VAL A 53 -4.075 -0.995 -9.336 1.00 0.00 C ATOM 795 O VAL A 53 -3.072 -1.285 -9.987 1.00 0.00 O ATOM 796 CB VAL A 53 -3.728 -1.505 -6.918 1.00 0.00 C ATOM 797 CG1 VAL A 53 -4.122 -2.400 -5.752 1.00 0.00 C ATOM 798 CG2 VAL A 53 -2.236 -1.604 -7.196 1.00 0.00 C ATOM 0 H VAL A 53 -3.830 -3.817 -7.846 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.595 -1.689 -7.986 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.956 -0.474 -6.647 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.541 -2.127 -4.871 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.184 -2.274 -5.539 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.924 -3.441 -6.009 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.680 -1.342 -6.296 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.988 -2.623 -7.492 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.969 -0.918 -8.000 1.00 0.00 H new ATOM 808 N VAL A 54 -4.815 0.081 -9.588 1.00 0.00 N ATOM 809 CA VAL A 54 -4.481 1.002 -10.668 1.00 0.00 C ATOM 810 C VAL A 54 -4.200 2.400 -10.131 1.00 0.00 C ATOM 811 O VAL A 54 -4.998 2.958 -9.379 1.00 0.00 O ATOM 812 CB VAL A 54 -5.614 1.082 -11.708 1.00 0.00 C ATOM 813 CG1 VAL A 54 -6.871 1.671 -11.085 1.00 0.00 C ATOM 814 CG2 VAL A 54 -5.174 1.898 -12.914 1.00 0.00 C ATOM 0 H VAL A 54 -5.649 0.336 -9.059 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.583 0.613 -11.149 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.844 0.072 -12.046 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.660 1.720 -11.835 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.196 1.041 -10.257 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.659 2.675 -10.716 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.987 1.944 -13.639 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.915 2.908 -12.595 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.305 1.428 -13.374 1.00 0.00 H new ATOM 824 N GLU A 55 -3.060 2.961 -10.522 1.00 0.00 N ATOM 825 CA GLU A 55 -2.674 4.295 -10.078 1.00 0.00 C ATOM 826 C GLU A 55 -3.886 5.220 -10.018 1.00 0.00 C ATOM 827 O GLU A 55 -4.820 5.090 -10.808 1.00 0.00 O ATOM 828 CB GLU A 55 -1.617 4.883 -11.016 1.00 0.00 C ATOM 829 CG GLU A 55 -0.193 4.510 -10.637 1.00 0.00 C ATOM 830 CD GLU A 55 0.730 4.437 -11.838 1.00 0.00 C ATOM 831 OE1 GLU A 55 0.772 3.373 -12.490 1.00 0.00 O ATOM 832 OE2 GLU A 55 1.410 5.444 -12.125 1.00 0.00 O ATOM 0 H GLU A 55 -2.388 2.513 -11.145 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.253 4.209 -9.076 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.815 4.542 -12.032 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.711 5.969 -11.020 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.195 5.243 -9.930 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.197 3.546 -10.127 1.00 0.00 H new ATOM 839 N SER A 56 -3.863 6.155 -9.073 1.00 0.00 N ATOM 840 CA SER A 56 -4.961 7.100 -8.905 1.00 0.00 C ATOM 841 C SER A 56 -4.582 8.204 -7.923 1.00 0.00 C ATOM 842 O SER A 56 -3.581 8.121 -7.212 1.00 0.00 O ATOM 843 CB SER A 56 -6.216 6.374 -8.415 1.00 0.00 C ATOM 844 OG SER A 56 -5.886 5.131 -7.821 1.00 0.00 O ATOM 0 H SER A 56 -3.096 6.278 -8.412 1.00 0.00 H new ATOM 0 HA SER A 56 -5.168 7.555 -9.874 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.742 6.998 -7.692 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.896 6.212 -9.251 1.00 0.00 H new ATOM 0 HG SER A 56 -5.740 4.462 -8.522 1.00 0.00 H new ATOM 850 N PRO A 57 -5.402 9.265 -7.882 1.00 0.00 N ATOM 851 CA PRO A 57 -5.176 10.407 -6.991 1.00 0.00 C ATOM 852 C PRO A 57 -5.401 10.052 -5.525 1.00 0.00 C ATOM 853 O PRO A 57 -5.309 10.911 -4.648 1.00 0.00 O ATOM 854 CB PRO A 57 -6.211 11.432 -7.459 1.00 0.00 C ATOM 855 CG PRO A 57 -7.294 10.621 -8.082 1.00 0.00 C ATOM 856 CD PRO A 57 -6.615 9.431 -8.701 1.00 0.00 C ATOM 0 HA PRO A 57 -4.148 10.766 -7.041 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.589 12.022 -6.624 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.779 12.132 -8.174 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.026 10.309 -7.337 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.831 11.199 -8.834 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.248 8.544 -8.666 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.371 9.607 -9.749 1.00 0.00 H new ATOM 864 N ALA A 58 -5.696 8.782 -5.267 1.00 0.00 N ATOM 865 CA ALA A 58 -5.932 8.314 -3.907 1.00 0.00 C ATOM 866 C ALA A 58 -4.965 7.196 -3.536 1.00 0.00 C ATOM 867 O ALA A 58 -4.916 6.759 -2.385 1.00 0.00 O ATOM 868 CB ALA A 58 -7.371 7.844 -3.753 1.00 0.00 C ATOM 0 H ALA A 58 -5.777 8.059 -5.982 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.759 9.148 -3.227 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.533 7.497 -2.732 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.049 8.670 -3.967 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.563 7.027 -4.449 1.00 0.00 H new ATOM 874 N LEU A 59 -4.197 6.734 -4.517 1.00 0.00 N ATOM 875 CA LEU A 59 -3.230 5.665 -4.293 1.00 0.00 C ATOM 876 C LEU A 59 -1.938 5.929 -5.060 1.00 0.00 C ATOM 877 O LEU A 59 -1.883 5.767 -6.280 1.00 0.00 O ATOM 878 CB LEU A 59 -3.822 4.319 -4.717 1.00 0.00 C ATOM 879 CG LEU A 59 -2.885 3.114 -4.621 1.00 0.00 C ATOM 880 CD1 LEU A 59 -3.668 1.856 -4.278 1.00 0.00 C ATOM 881 CD2 LEU A 59 -2.118 2.929 -5.922 1.00 0.00 C ATOM 0 H LEU A 59 -4.225 7.083 -5.475 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.999 5.635 -3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.700 4.121 -4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.167 4.405 -5.747 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.166 3.299 -3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.985 1.009 -4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.171 1.990 -3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.410 1.666 -5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.456 2.067 -5.835 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.821 2.766 -6.739 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.526 3.821 -6.126 1.00 0.00 H new ATOM 893 N LEU A 60 -0.900 6.336 -4.337 1.00 0.00 N ATOM 894 CA LEU A 60 0.393 6.621 -4.949 1.00 0.00 C ATOM 895 C LEU A 60 1.345 5.441 -4.786 1.00 0.00 C ATOM 896 O LEU A 60 1.531 4.928 -3.681 1.00 0.00 O ATOM 897 CB LEU A 60 1.008 7.876 -4.327 1.00 0.00 C ATOM 898 CG LEU A 60 0.162 9.148 -4.406 1.00 0.00 C ATOM 899 CD1 LEU A 60 0.830 10.281 -3.643 1.00 0.00 C ATOM 900 CD2 LEU A 60 -0.073 9.544 -5.856 1.00 0.00 C ATOM 0 H LEU A 60 -0.929 6.476 -3.327 1.00 0.00 H new ATOM 0 HA LEU A 60 0.233 6.791 -6.014 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.221 7.670 -3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.964 8.068 -4.815 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.805 8.947 -3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.214 11.178 -3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.945 9.997 -2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.811 10.481 -4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.677 10.451 -5.892 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.885 9.726 -6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.596 8.739 -6.373 1.00 0.00 H new ATOM 912 N LEU A 61 1.946 5.015 -5.891 1.00 0.00 N ATOM 913 CA LEU A 61 2.881 3.895 -5.871 1.00 0.00 C ATOM 914 C LEU A 61 4.324 4.391 -5.875 1.00 0.00 C ATOM 915 O LEU A 61 4.802 4.927 -6.875 1.00 0.00 O ATOM 916 CB LEU A 61 2.640 2.982 -7.074 1.00 0.00 C ATOM 917 CG LEU A 61 1.241 2.373 -7.184 1.00 0.00 C ATOM 918 CD1 LEU A 61 1.160 1.435 -8.379 1.00 0.00 C ATOM 919 CD2 LEU A 61 0.876 1.639 -5.902 1.00 0.00 C ATOM 0 H LEU A 61 1.803 5.428 -6.813 1.00 0.00 H new ATOM 0 HA LEU A 61 2.713 3.329 -4.955 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.840 3.551 -7.982 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.366 2.170 -7.040 1.00 0.00 H new ATOM 0 HG LEU A 61 0.525 3.181 -7.333 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.158 1.011 -8.442 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.377 1.989 -9.292 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.887 0.632 -8.261 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.122 1.212 -5.999 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.596 0.841 -5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.893 2.338 -5.065 1.00 0.00 H new ATOM 931 N GLN A 62 5.011 4.205 -4.753 1.00 0.00 N ATOM 932 CA GLN A 62 6.400 4.632 -4.629 1.00 0.00 C ATOM 933 C GLN A 62 7.353 3.502 -5.004 1.00 0.00 C ATOM 934 O GLN A 62 7.058 2.327 -4.781 1.00 0.00 O ATOM 935 CB GLN A 62 6.685 5.104 -3.203 1.00 0.00 C ATOM 936 CG GLN A 62 5.928 6.364 -2.816 1.00 0.00 C ATOM 937 CD GLN A 62 5.956 7.419 -3.904 1.00 0.00 C ATOM 938 OE1 GLN A 62 6.947 7.563 -4.620 1.00 0.00 O ATOM 939 NE2 GLN A 62 4.864 8.163 -4.036 1.00 0.00 N ATOM 0 H GLN A 62 4.629 3.762 -3.917 1.00 0.00 H new ATOM 0 HA GLN A 62 6.561 5.461 -5.317 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.426 4.306 -2.507 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.754 5.286 -3.096 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.893 6.107 -2.591 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.359 6.777 -1.904 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.065 8.010 -3.421 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.824 8.888 -4.753 1.00 0.00 H new ATOM 948 N LYS A 63 8.497 3.863 -5.574 1.00 0.00 N ATOM 949 CA LYS A 63 9.494 2.880 -5.980 1.00 0.00 C ATOM 950 C LYS A 63 10.902 3.367 -5.651 1.00 0.00 C ATOM 951 O LYS A 63 11.335 4.413 -6.131 1.00 0.00 O ATOM 952 CB LYS A 63 9.380 2.595 -7.479 1.00 0.00 C ATOM 953 CG LYS A 63 7.966 2.273 -7.930 1.00 0.00 C ATOM 954 CD LYS A 63 7.769 2.573 -9.407 1.00 0.00 C ATOM 955 CE LYS A 63 6.627 1.758 -9.994 1.00 0.00 C ATOM 956 NZ LYS A 63 5.319 2.109 -9.375 1.00 0.00 N ATOM 0 H LYS A 63 8.757 4.830 -5.766 1.00 0.00 H new ATOM 0 HA LYS A 63 9.307 1.960 -5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.741 3.461 -8.034 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.033 1.759 -7.732 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.753 1.221 -7.740 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.255 2.853 -7.342 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.565 3.635 -9.539 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.689 2.355 -9.949 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.576 1.926 -11.070 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.825 0.696 -9.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.560 1.569 -9.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.341 1.877 -8.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.141 3.127 -9.493 1.00 0.00 H new ATOM 970 N GLU A 64 11.612 2.599 -4.829 1.00 0.00 N ATOM 971 CA GLU A 64 12.971 2.953 -4.438 1.00 0.00 C ATOM 972 C GLU A 64 13.994 2.176 -5.261 1.00 0.00 C ATOM 973 O GLU A 64 13.638 1.448 -6.188 1.00 0.00 O ATOM 974 CB GLU A 64 13.184 2.677 -2.948 1.00 0.00 C ATOM 975 CG GLU A 64 14.143 3.648 -2.280 1.00 0.00 C ATOM 976 CD GLU A 64 13.805 3.893 -0.822 1.00 0.00 C ATOM 977 OE1 GLU A 64 12.992 4.799 -0.545 1.00 0.00 O ATOM 978 OE2 GLU A 64 14.354 3.177 0.041 1.00 0.00 O ATOM 0 H GLU A 64 11.268 1.729 -4.422 1.00 0.00 H new ATOM 0 HA GLU A 64 13.111 4.017 -4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.222 2.721 -2.438 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.564 1.663 -2.826 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.158 3.258 -2.353 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.126 4.596 -2.817 1.00 0.00 H new ATOM 985 N ASP A 65 15.267 2.337 -4.917 1.00 0.00 N ATOM 986 CA ASP A 65 16.343 1.651 -5.623 1.00 0.00 C ATOM 987 C ASP A 65 16.049 0.159 -5.744 1.00 0.00 C ATOM 988 O ASP A 65 15.751 -0.341 -6.830 1.00 0.00 O ATOM 989 CB ASP A 65 17.674 1.864 -4.899 1.00 0.00 C ATOM 990 CG ASP A 65 18.854 1.874 -5.850 1.00 0.00 C ATOM 991 OD1 ASP A 65 18.996 2.856 -6.610 1.00 0.00 O ATOM 992 OD2 ASP A 65 19.637 0.902 -5.835 1.00 0.00 O ATOM 0 H ASP A 65 15.579 2.937 -4.153 1.00 0.00 H new ATOM 0 HA ASP A 65 16.412 2.072 -6.626 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.641 2.808 -4.355 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.813 1.075 -4.160 1.00 0.00 H new ATOM 997 N THR A 66 16.135 -0.550 -4.622 1.00 0.00 N ATOM 998 CA THR A 66 15.881 -1.985 -4.603 1.00 0.00 C ATOM 999 C THR A 66 14.658 -2.315 -3.754 1.00 0.00 C ATOM 1000 O THR A 66 14.307 -3.482 -3.580 1.00 0.00 O ATOM 1001 CB THR A 66 17.094 -2.763 -4.059 1.00 0.00 C ATOM 1002 OG1 THR A 66 17.647 -2.081 -2.928 1.00 0.00 O ATOM 1003 CG2 THR A 66 18.160 -2.922 -5.133 1.00 0.00 C ATOM 0 H THR A 66 16.379 -0.153 -3.715 1.00 0.00 H new ATOM 0 HA THR A 66 15.697 -2.287 -5.634 1.00 0.00 H new ATOM 0 HB THR A 66 16.756 -3.754 -3.755 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.417 -2.583 -2.587 1.00 0.00 H new ATOM 0 HG21 THR A 66 19.007 -3.474 -4.726 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.744 -3.467 -5.980 1.00 0.00 H new ATOM 0 HG23 THR A 66 18.493 -1.938 -5.463 1.00 0.00 H new ATOM 1011 N VAL A 67 14.012 -1.279 -3.228 1.00 0.00 N ATOM 1012 CA VAL A 67 12.826 -1.460 -2.398 1.00 0.00 C ATOM 1013 C VAL A 67 11.661 -0.623 -2.916 1.00 0.00 C ATOM 1014 O VAL A 67 11.855 0.476 -3.435 1.00 0.00 O ATOM 1015 CB VAL A 67 13.104 -1.080 -0.932 1.00 0.00 C ATOM 1016 CG1 VAL A 67 13.849 0.244 -0.854 1.00 0.00 C ATOM 1017 CG2 VAL A 67 11.806 -1.018 -0.142 1.00 0.00 C ATOM 0 H VAL A 67 14.289 -0.307 -3.362 1.00 0.00 H new ATOM 0 HA VAL A 67 12.562 -2.516 -2.448 1.00 0.00 H new ATOM 0 HB VAL A 67 13.735 -1.851 -0.490 1.00 0.00 H new ATOM 0 HG11 VAL A 67 14.036 0.495 0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 67 14.798 0.159 -1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.247 1.028 -1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.022 -0.748 0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.147 -0.270 -0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.317 -1.992 -0.168 1.00 0.00 H new ATOM 1027 N ARG A 68 10.450 -1.152 -2.770 1.00 0.00 N ATOM 1028 CA ARG A 68 9.253 -0.454 -3.223 1.00 0.00 C ATOM 1029 C ARG A 68 8.357 -0.088 -2.043 1.00 0.00 C ATOM 1030 O ARG A 68 8.417 -0.718 -0.987 1.00 0.00 O ATOM 1031 CB ARG A 68 8.477 -1.321 -4.217 1.00 0.00 C ATOM 1032 CG ARG A 68 9.319 -1.813 -5.382 1.00 0.00 C ATOM 1033 CD ARG A 68 9.327 -0.812 -6.526 1.00 0.00 C ATOM 1034 NE ARG A 68 9.890 -1.380 -7.748 1.00 0.00 N ATOM 1035 CZ ARG A 68 11.194 -1.449 -7.993 1.00 0.00 C ATOM 1036 NH1 ARG A 68 12.064 -0.989 -7.105 1.00 0.00 N ATOM 1037 NH2 ARG A 68 11.629 -1.981 -9.128 1.00 0.00 N ATOM 0 H ARG A 68 10.272 -2.061 -2.342 1.00 0.00 H new ATOM 0 HA ARG A 68 9.565 0.465 -3.719 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.063 -2.181 -3.690 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.634 -0.749 -4.605 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.340 -1.990 -5.045 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.930 -2.768 -5.736 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.309 -0.474 -6.719 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.904 0.066 -6.235 1.00 0.00 H new ATOM 0 HE ARG A 68 9.247 -1.743 -8.452 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.733 -0.581 -6.231 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.065 -1.043 -7.296 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.962 -2.337 -9.813 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.630 -2.034 -9.316 1.00 0.00 H new ATOM 1051 N ARG A 69 7.529 0.934 -2.231 1.00 0.00 N ATOM 1052 CA ARG A 69 6.622 1.385 -1.182 1.00 0.00 C ATOM 1053 C ARG A 69 5.324 1.920 -1.778 1.00 0.00 C ATOM 1054 O ARG A 69 5.311 2.452 -2.889 1.00 0.00 O ATOM 1055 CB ARG A 69 7.290 2.467 -0.332 1.00 0.00 C ATOM 1056 CG ARG A 69 8.406 1.943 0.556 1.00 0.00 C ATOM 1057 CD ARG A 69 8.659 2.865 1.738 1.00 0.00 C ATOM 1058 NE ARG A 69 9.421 4.051 1.354 1.00 0.00 N ATOM 1059 CZ ARG A 69 9.786 4.998 2.210 1.00 0.00 C ATOM 1060 NH1 ARG A 69 9.462 4.900 3.492 1.00 0.00 N ATOM 1061 NH2 ARG A 69 10.479 6.047 1.784 1.00 0.00 N ATOM 0 H ARG A 69 7.467 1.465 -3.099 1.00 0.00 H new ATOM 0 HA ARG A 69 6.385 0.530 -0.549 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.692 3.237 -0.990 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.535 2.944 0.292 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.147 0.948 0.918 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.320 1.841 -0.029 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.706 3.171 2.170 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.200 2.321 2.512 1.00 0.00 H new ATOM 0 HE ARG A 69 9.687 4.157 0.375 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.931 4.095 3.824 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.744 5.630 4.147 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.731 6.126 0.799 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.759 6.774 2.442 1.00 0.00 H new ATOM 1075 N LEU A 70 4.233 1.774 -1.034 1.00 0.00 N ATOM 1076 CA LEU A 70 2.928 2.243 -1.489 1.00 0.00 C ATOM 1077 C LEU A 70 2.369 3.300 -0.542 1.00 0.00 C ATOM 1078 O LEU A 70 1.859 2.979 0.532 1.00 0.00 O ATOM 1079 CB LEU A 70 1.952 1.069 -1.596 1.00 0.00 C ATOM 1080 CG LEU A 70 0.467 1.430 -1.588 1.00 0.00 C ATOM 1081 CD1 LEU A 70 0.161 2.457 -2.666 1.00 0.00 C ATOM 1082 CD2 LEU A 70 -0.385 0.183 -1.779 1.00 0.00 C ATOM 0 H LEU A 70 4.226 1.335 -0.113 1.00 0.00 H new ATOM 0 HA LEU A 70 3.054 2.694 -2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.168 0.525 -2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.144 0.386 -0.769 1.00 0.00 H new ATOM 0 HG LEU A 70 0.224 1.868 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.901 2.701 -2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.745 3.360 -2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.420 2.048 -3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.440 0.458 -1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.139 -0.283 -2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.187 -0.520 -0.970 1.00 0.00 H new ATOM 1094 N VAL A 71 2.465 4.561 -0.949 1.00 0.00 N ATOM 1095 CA VAL A 71 1.965 5.666 -0.139 1.00 0.00 C ATOM 1096 C VAL A 71 0.591 6.120 -0.617 1.00 0.00 C ATOM 1097 O VAL A 71 0.337 6.211 -1.819 1.00 0.00 O ATOM 1098 CB VAL A 71 2.930 6.867 -0.171 1.00 0.00 C ATOM 1099 CG1 VAL A 71 2.311 8.068 0.527 1.00 0.00 C ATOM 1100 CG2 VAL A 71 4.261 6.497 0.465 1.00 0.00 C ATOM 0 H VAL A 71 2.884 4.843 -1.835 1.00 0.00 H new ATOM 0 HA VAL A 71 1.887 5.298 0.884 1.00 0.00 H new ATOM 0 HB VAL A 71 3.113 7.137 -1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.007 8.906 0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.385 8.345 0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.096 7.815 1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.931 7.357 0.434 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.099 6.200 1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.709 5.668 -0.084 1.00 0.00 H new ATOM 1110 N LEU A 72 -0.295 6.405 0.332 1.00 0.00 N ATOM 1111 CA LEU A 72 -1.646 6.850 0.009 1.00 0.00 C ATOM 1112 C LEU A 72 -1.938 8.207 0.642 1.00 0.00 C ATOM 1113 O LEU A 72 -2.057 8.338 1.861 1.00 0.00 O ATOM 1114 CB LEU A 72 -2.671 5.821 0.486 1.00 0.00 C ATOM 1115 CG LEU A 72 -2.691 4.492 -0.271 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -1.482 3.648 0.100 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -3.980 3.736 0.013 1.00 0.00 C ATOM 0 H LEU A 72 -0.102 6.336 1.331 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.719 6.951 -1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.484 5.613 1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.663 6.268 0.420 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.646 4.704 -1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.513 2.706 -0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.570 4.187 -0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.495 3.445 1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.977 2.793 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.056 3.535 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.832 4.337 -0.305 1.00 0.00 H new ATOM 1129 N PRO A 73 -2.058 9.241 -0.203 1.00 0.00 N ATOM 1130 CA PRO A 73 -2.340 10.606 0.251 1.00 0.00 C ATOM 1131 C PRO A 73 -3.759 10.756 0.791 1.00 0.00 C ATOM 1132 O PRO A 73 -4.097 11.770 1.399 1.00 0.00 O ATOM 1133 CB PRO A 73 -2.159 11.446 -1.016 1.00 0.00 C ATOM 1134 CG PRO A 73 -2.416 10.500 -2.138 1.00 0.00 C ATOM 1135 CD PRO A 73 -1.928 9.158 -1.668 1.00 0.00 C ATOM 0 HA PRO A 73 -1.690 10.904 1.073 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.855 12.284 -1.038 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.154 11.864 -1.073 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.477 10.465 -2.384 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.890 10.812 -3.040 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.528 8.346 -2.079 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.896 8.977 -1.970 1.00 0.00 H new ATOM 1143 N ALA A 74 -4.583 9.738 0.564 1.00 0.00 N ATOM 1144 CA ALA A 74 -5.964 9.756 1.030 1.00 0.00 C ATOM 1145 C ALA A 74 -6.595 8.371 0.932 1.00 0.00 C ATOM 1146 O ALA A 74 -6.844 7.867 -0.163 1.00 0.00 O ATOM 1147 CB ALA A 74 -6.777 10.765 0.233 1.00 0.00 C ATOM 0 H ALA A 74 -4.318 8.891 0.061 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.963 10.053 2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.806 10.768 0.592 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.347 11.759 0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.761 10.493 -0.822 1.00 0.00 H new ATOM 1153 N VAL A 75 -6.850 7.759 2.085 1.00 0.00 N ATOM 1154 CA VAL A 75 -7.452 6.432 2.129 1.00 0.00 C ATOM 1155 C VAL A 75 -8.925 6.509 2.512 1.00 0.00 C ATOM 1156 O VAL A 75 -9.417 7.563 2.915 1.00 0.00 O ATOM 1157 CB VAL A 75 -6.720 5.517 3.128 1.00 0.00 C ATOM 1158 CG1 VAL A 75 -5.220 5.770 3.085 1.00 0.00 C ATOM 1159 CG2 VAL A 75 -7.263 5.722 4.534 1.00 0.00 C ATOM 0 H VAL A 75 -6.649 8.161 3.000 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.362 6.010 1.128 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.898 4.480 2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.720 5.114 3.798 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.846 5.568 2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.019 6.809 3.345 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.734 5.068 5.227 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.117 6.760 4.833 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.327 5.485 4.551 1.00 0.00 H new ATOM 1169 N GLN A 76 -9.624 5.386 2.383 1.00 0.00 N ATOM 1170 CA GLN A 76 -11.042 5.327 2.716 1.00 0.00 C ATOM 1171 C GLN A 76 -11.380 4.022 3.430 1.00 0.00 C ATOM 1172 O GLN A 76 -10.797 2.976 3.143 1.00 0.00 O ATOM 1173 CB GLN A 76 -11.891 5.464 1.451 1.00 0.00 C ATOM 1174 CG GLN A 76 -11.582 6.715 0.644 1.00 0.00 C ATOM 1175 CD GLN A 76 -12.118 7.975 1.293 1.00 0.00 C ATOM 1176 OE1 GLN A 76 -12.531 7.963 2.453 1.00 0.00 O ATOM 1177 NE2 GLN A 76 -12.115 9.074 0.547 1.00 0.00 N ATOM 0 H GLN A 76 -9.232 4.505 2.050 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.266 6.156 3.387 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.735 4.588 0.822 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.945 5.472 1.730 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.503 6.806 0.520 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.010 6.614 -0.353 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -11.764 9.040 -0.410 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -12.464 9.952 0.931 1.00 0.00 H new ATOM 1186 N LEU A 77 -12.324 4.091 4.363 1.00 0.00 N ATOM 1187 CA LEU A 77 -12.739 2.915 5.119 1.00 0.00 C ATOM 1188 C LEU A 77 -12.937 1.716 4.197 1.00 0.00 C ATOM 1189 O LEU A 77 -12.662 0.578 4.576 1.00 0.00 O ATOM 1190 CB LEU A 77 -14.033 3.206 5.881 1.00 0.00 C ATOM 1191 CG LEU A 77 -14.012 4.429 6.798 1.00 0.00 C ATOM 1192 CD1 LEU A 77 -15.407 4.725 7.326 1.00 0.00 C ATOM 1193 CD2 LEU A 77 -13.038 4.217 7.948 1.00 0.00 C ATOM 0 H LEU A 77 -12.816 4.949 4.614 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.950 2.675 5.832 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -14.837 3.334 5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.282 2.331 6.481 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.676 5.288 6.218 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -15.372 5.599 7.977 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.078 4.922 6.490 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.772 3.867 7.890 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.036 5.098 8.590 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.343 3.346 8.527 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.036 4.056 7.551 1.00 0.00 H new ATOM 1205 N GLU A 78 -13.413 1.981 2.984 1.00 0.00 N ATOM 1206 CA GLU A 78 -13.646 0.924 2.008 1.00 0.00 C ATOM 1207 C GLU A 78 -12.328 0.301 1.556 1.00 0.00 C ATOM 1208 O GLU A 78 -12.240 -0.910 1.350 1.00 0.00 O ATOM 1209 CB GLU A 78 -14.404 1.474 0.798 1.00 0.00 C ATOM 1210 CG GLU A 78 -14.130 2.943 0.525 1.00 0.00 C ATOM 1211 CD GLU A 78 -14.569 3.371 -0.862 1.00 0.00 C ATOM 1212 OE1 GLU A 78 -15.765 3.204 -1.183 1.00 0.00 O ATOM 1213 OE2 GLU A 78 -13.718 3.871 -1.627 1.00 0.00 O ATOM 0 H GLU A 78 -13.644 2.918 2.655 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.249 0.151 2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.135 0.893 -0.084 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -15.474 1.336 0.956 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -14.647 3.549 1.269 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.064 3.137 0.641 1.00 0.00 H new ATOM 1220 N ASP A 79 -11.307 1.137 1.403 1.00 0.00 N ATOM 1221 CA ASP A 79 -9.993 0.669 0.977 1.00 0.00 C ATOM 1222 C ASP A 79 -9.485 -0.438 1.895 1.00 0.00 C ATOM 1223 O ASP A 79 -8.795 -1.357 1.454 1.00 0.00 O ATOM 1224 CB ASP A 79 -8.997 1.830 0.957 1.00 0.00 C ATOM 1225 CG ASP A 79 -9.216 2.760 -0.220 1.00 0.00 C ATOM 1226 OD1 ASP A 79 -8.788 2.411 -1.340 1.00 0.00 O ATOM 1227 OD2 ASP A 79 -9.815 3.837 -0.021 1.00 0.00 O ATOM 0 H ASP A 79 -11.364 2.142 1.568 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.088 0.264 -0.031 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.084 2.396 1.885 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -7.982 1.434 0.919 1.00 0.00 H new ATOM 1232 N SER A 80 -9.831 -0.343 3.175 1.00 0.00 N ATOM 1233 CA SER A 80 -9.406 -1.333 4.158 1.00 0.00 C ATOM 1234 C SER A 80 -9.775 -2.742 3.703 1.00 0.00 C ATOM 1235 O SER A 80 -10.945 -3.047 3.476 1.00 0.00 O ATOM 1236 CB SER A 80 -10.044 -1.040 5.517 1.00 0.00 C ATOM 1237 OG SER A 80 -11.390 -1.482 5.555 1.00 0.00 O ATOM 0 H SER A 80 -10.405 0.410 3.556 1.00 0.00 H new ATOM 0 HA SER A 80 -8.322 -1.273 4.254 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.474 -1.534 6.304 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.004 0.031 5.718 1.00 0.00 H new ATOM 0 HG SER A 80 -11.925 -0.956 4.924 1.00 0.00 H new ATOM 1243 N GLY A 81 -8.766 -3.598 3.572 1.00 0.00 N ATOM 1244 CA GLY A 81 -9.003 -4.964 3.145 1.00 0.00 C ATOM 1245 C GLY A 81 -7.759 -5.825 3.236 1.00 0.00 C ATOM 1246 O GLY A 81 -7.195 -5.999 4.316 1.00 0.00 O ATOM 0 H GLY A 81 -7.789 -3.369 3.754 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.790 -5.402 3.759 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.365 -4.962 2.117 1.00 0.00 H new ATOM 1250 N GLU A 82 -7.330 -6.366 2.100 1.00 0.00 N ATOM 1251 CA GLU A 82 -6.146 -7.215 2.058 1.00 0.00 C ATOM 1252 C GLU A 82 -5.233 -6.820 0.901 1.00 0.00 C ATOM 1253 O GLU A 82 -5.479 -7.184 -0.250 1.00 0.00 O ATOM 1254 CB GLU A 82 -6.549 -8.685 1.925 1.00 0.00 C ATOM 1255 CG GLU A 82 -5.559 -9.648 2.559 1.00 0.00 C ATOM 1256 CD GLU A 82 -5.991 -11.096 2.432 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -6.789 -11.554 3.276 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -5.530 -11.771 1.487 1.00 0.00 O ATOM 0 H GLU A 82 -7.785 -6.231 1.197 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.600 -7.078 2.992 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.527 -8.828 2.385 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.655 -8.930 0.868 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.583 -9.521 2.090 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.440 -9.399 3.614 1.00 0.00 H new ATOM 1265 N TYR A 83 -4.181 -6.073 1.214 1.00 0.00 N ATOM 1266 CA TYR A 83 -3.233 -5.625 0.200 1.00 0.00 C ATOM 1267 C TYR A 83 -2.179 -6.695 -0.071 1.00 0.00 C ATOM 1268 O TYR A 83 -1.277 -6.914 0.739 1.00 0.00 O ATOM 1269 CB TYR A 83 -2.556 -4.327 0.643 1.00 0.00 C ATOM 1270 CG TYR A 83 -3.307 -3.081 0.232 1.00 0.00 C ATOM 1271 CD1 TYR A 83 -3.083 -2.488 -1.004 1.00 0.00 C ATOM 1272 CD2 TYR A 83 -4.241 -2.498 1.079 1.00 0.00 C ATOM 1273 CE1 TYR A 83 -3.766 -1.349 -1.384 1.00 0.00 C ATOM 1274 CE2 TYR A 83 -4.931 -1.360 0.707 1.00 0.00 C ATOM 1275 CZ TYR A 83 -4.689 -0.789 -0.525 1.00 0.00 C ATOM 1276 OH TYR A 83 -5.373 0.344 -0.901 1.00 0.00 O ATOM 0 H TYR A 83 -3.963 -5.765 2.161 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.785 -5.443 -0.722 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.449 -4.335 1.728 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.551 -4.290 0.223 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -2.362 -2.925 -1.680 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.431 -2.942 2.045 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -3.579 -0.899 -2.348 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -5.655 -0.920 1.377 1.00 0.00 H new ATOM 0 HH TYR A 83 -5.986 0.609 -0.184 1.00 0.00 H new ATOM 1286 N LEU A 84 -2.300 -7.359 -1.215 1.00 0.00 N ATOM 1287 CA LEU A 84 -1.358 -8.406 -1.596 1.00 0.00 C ATOM 1288 C LEU A 84 -0.439 -7.930 -2.716 1.00 0.00 C ATOM 1289 O LEU A 84 -0.899 -7.577 -3.802 1.00 0.00 O ATOM 1290 CB LEU A 84 -2.113 -9.661 -2.037 1.00 0.00 C ATOM 1291 CG LEU A 84 -2.314 -10.735 -0.967 1.00 0.00 C ATOM 1292 CD1 LEU A 84 -1.022 -11.501 -0.730 1.00 0.00 C ATOM 1293 CD2 LEU A 84 -2.811 -10.110 0.328 1.00 0.00 C ATOM 0 H LEU A 84 -3.041 -7.191 -1.895 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.745 -8.645 -0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.092 -9.360 -2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.577 -10.107 -2.875 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.068 -11.437 -1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.184 -12.261 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.708 -11.980 -1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.246 -10.812 -0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.949 -10.889 1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.080 -9.386 0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.761 -9.607 0.148 1.00 0.00 H new ATOM 1305 N CYS A 85 0.861 -7.927 -2.446 1.00 0.00 N ATOM 1306 CA CYS A 85 1.846 -7.497 -3.432 1.00 0.00 C ATOM 1307 C CYS A 85 2.459 -8.696 -4.147 1.00 0.00 C ATOM 1308 O CYS A 85 3.253 -9.437 -3.568 1.00 0.00 O ATOM 1309 CB CYS A 85 2.945 -6.673 -2.759 1.00 0.00 C ATOM 1310 SG CYS A 85 4.173 -6.003 -3.906 1.00 0.00 S ATOM 0 H CYS A 85 1.258 -8.217 -1.552 1.00 0.00 H new ATOM 0 HA CYS A 85 1.338 -6.878 -4.171 1.00 0.00 H new ATOM 0 HB2 CYS A 85 2.484 -5.849 -2.215 1.00 0.00 H new ATOM 0 HB3 CYS A 85 3.453 -7.297 -2.023 1.00 0.00 H new ATOM 0 HG CYS A 85 4.065 -4.708 -3.949 1.00 0.00 H new ATOM 1316 N GLU A 86 2.083 -8.881 -5.409 1.00 0.00 N ATOM 1317 CA GLU A 86 2.594 -9.993 -6.202 1.00 0.00 C ATOM 1318 C GLU A 86 3.727 -9.534 -7.117 1.00 0.00 C ATOM 1319 O GLU A 86 3.643 -8.475 -7.741 1.00 0.00 O ATOM 1320 CB GLU A 86 1.471 -10.613 -7.036 1.00 0.00 C ATOM 1321 CG GLU A 86 0.221 -10.930 -6.232 1.00 0.00 C ATOM 1322 CD GLU A 86 -0.549 -12.110 -6.792 1.00 0.00 C ATOM 1323 OE1 GLU A 86 -0.997 -12.027 -7.955 1.00 0.00 O ATOM 1324 OE2 GLU A 86 -0.704 -13.115 -6.068 1.00 0.00 O ATOM 0 H GLU A 86 1.427 -8.276 -5.903 1.00 0.00 H new ATOM 0 HA GLU A 86 2.985 -10.744 -5.516 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.210 -9.930 -7.844 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.837 -11.529 -7.499 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.501 -11.141 -5.200 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.427 -10.054 -6.214 1.00 0.00 H new ATOM 1331 N ILE A 87 4.783 -10.336 -7.189 1.00 0.00 N ATOM 1332 CA ILE A 87 5.931 -10.013 -8.027 1.00 0.00 C ATOM 1333 C ILE A 87 6.060 -10.995 -9.186 1.00 0.00 C ATOM 1334 O ILE A 87 5.717 -10.676 -10.325 1.00 0.00 O ATOM 1335 CB ILE A 87 7.240 -10.019 -7.215 1.00 0.00 C ATOM 1336 CG1 ILE A 87 8.420 -10.400 -8.112 1.00 0.00 C ATOM 1337 CG2 ILE A 87 7.129 -10.979 -6.040 1.00 0.00 C ATOM 1338 CD1 ILE A 87 9.725 -9.758 -7.698 1.00 0.00 C ATOM 0 H ILE A 87 4.868 -11.214 -6.677 1.00 0.00 H new ATOM 0 HA ILE A 87 5.762 -9.011 -8.421 1.00 0.00 H new ATOM 0 HB ILE A 87 7.414 -9.016 -6.825 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.538 -11.484 -8.102 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.193 -10.113 -9.139 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.061 -10.973 -5.476 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.310 -10.667 -5.392 1.00 0.00 H new ATOM 0 HG23 ILE A 87 6.936 -11.986 -6.410 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.517 -10.073 -8.378 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.625 -8.673 -7.735 1.00 0.00 H new ATOM 0 HD13 ILE A 87 9.975 -10.065 -6.682 1.00 0.00 H new ATOM 1350 N ASP A 88 6.555 -12.191 -8.888 1.00 0.00 N ATOM 1351 CA ASP A 88 6.726 -13.223 -9.905 1.00 0.00 C ATOM 1352 C ASP A 88 5.783 -14.395 -9.654 1.00 0.00 C ATOM 1353 O ASP A 88 4.813 -14.592 -10.387 1.00 0.00 O ATOM 1354 CB ASP A 88 8.175 -13.713 -9.925 1.00 0.00 C ATOM 1355 CG ASP A 88 8.621 -14.144 -11.308 1.00 0.00 C ATOM 1356 OD1 ASP A 88 7.862 -14.879 -11.974 1.00 0.00 O ATOM 1357 OD2 ASP A 88 9.728 -13.746 -11.725 1.00 0.00 O ATOM 0 H ASP A 88 6.845 -12.470 -7.951 1.00 0.00 H new ATOM 0 HA ASP A 88 6.484 -12.787 -10.874 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.829 -12.918 -9.567 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.282 -14.550 -9.235 1.00 0.00 H new ATOM 1362 N ASP A 89 6.074 -15.171 -8.616 1.00 0.00 N ATOM 1363 CA ASP A 89 5.252 -16.324 -8.269 1.00 0.00 C ATOM 1364 C ASP A 89 4.764 -16.229 -6.827 1.00 0.00 C ATOM 1365 O ASP A 89 3.830 -16.924 -6.431 1.00 0.00 O ATOM 1366 CB ASP A 89 6.042 -17.619 -8.469 1.00 0.00 C ATOM 1367 CG ASP A 89 5.203 -18.854 -8.208 1.00 0.00 C ATOM 1368 OD1 ASP A 89 4.344 -19.178 -9.055 1.00 0.00 O ATOM 1369 OD2 ASP A 89 5.406 -19.498 -7.158 1.00 0.00 O ATOM 0 H ASP A 89 6.873 -15.022 -8.000 1.00 0.00 H new ATOM 0 HA ASP A 89 4.384 -16.332 -8.928 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.426 -17.653 -9.488 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.905 -17.622 -7.803 1.00 0.00 H new ATOM 1374 N GLU A 90 5.405 -15.364 -6.046 1.00 0.00 N ATOM 1375 CA GLU A 90 5.037 -15.181 -4.647 1.00 0.00 C ATOM 1376 C GLU A 90 4.308 -13.855 -4.446 1.00 0.00 C ATOM 1377 O GLU A 90 4.263 -13.016 -5.346 1.00 0.00 O ATOM 1378 CB GLU A 90 6.281 -15.232 -3.758 1.00 0.00 C ATOM 1379 CG GLU A 90 7.090 -16.508 -3.916 1.00 0.00 C ATOM 1380 CD GLU A 90 6.386 -17.720 -3.339 1.00 0.00 C ATOM 1381 OE1 GLU A 90 5.604 -18.359 -4.073 1.00 0.00 O ATOM 1382 OE2 GLU A 90 6.619 -18.030 -2.151 1.00 0.00 O ATOM 0 H GLU A 90 6.181 -14.780 -6.358 1.00 0.00 H new ATOM 0 HA GLU A 90 4.365 -15.992 -4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.917 -14.378 -3.989 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.977 -15.131 -2.716 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.290 -16.678 -4.974 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.055 -16.385 -3.425 1.00 0.00 H new ATOM 1389 N SER A 91 3.739 -13.673 -3.259 1.00 0.00 N ATOM 1390 CA SER A 91 3.009 -12.452 -2.939 1.00 0.00 C ATOM 1391 C SER A 91 3.200 -12.072 -1.474 1.00 0.00 C ATOM 1392 O SER A 91 3.378 -12.936 -0.616 1.00 0.00 O ATOM 1393 CB SER A 91 1.520 -12.630 -3.242 1.00 0.00 C ATOM 1394 OG SER A 91 1.004 -13.786 -2.605 1.00 0.00 O ATOM 0 H SER A 91 3.769 -14.356 -2.502 1.00 0.00 H new ATOM 0 HA SER A 91 3.406 -11.648 -3.559 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.970 -11.751 -2.907 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.372 -12.708 -4.319 1.00 0.00 H new ATOM 0 HG SER A 91 0.051 -13.876 -2.813 1.00 0.00 H new ATOM 1400 N ALA A 92 3.162 -10.773 -1.197 1.00 0.00 N ATOM 1401 CA ALA A 92 3.328 -10.277 0.164 1.00 0.00 C ATOM 1402 C ALA A 92 1.991 -9.853 0.761 1.00 0.00 C ATOM 1403 O ALA A 92 1.199 -9.170 0.111 1.00 0.00 O ATOM 1404 CB ALA A 92 4.311 -9.116 0.185 1.00 0.00 C ATOM 0 H ALA A 92 3.018 -10.045 -1.897 1.00 0.00 H new ATOM 0 HA ALA A 92 3.727 -11.087 0.774 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.426 -8.755 1.207 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.277 -9.451 -0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.935 -8.310 -0.445 1.00 0.00 H new ATOM 1410 N SER A 93 1.746 -10.261 2.002 1.00 0.00 N ATOM 1411 CA SER A 93 0.502 -9.927 2.685 1.00 0.00 C ATOM 1412 C SER A 93 0.640 -8.617 3.455 1.00 0.00 C ATOM 1413 O SER A 93 1.553 -8.452 4.264 1.00 0.00 O ATOM 1414 CB SER A 93 0.101 -11.053 3.640 1.00 0.00 C ATOM 1415 OG SER A 93 -0.934 -10.636 4.514 1.00 0.00 O ATOM 0 H SER A 93 2.393 -10.823 2.555 1.00 0.00 H new ATOM 0 HA SER A 93 -0.276 -9.805 1.931 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.229 -11.919 3.067 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.968 -11.367 4.221 1.00 0.00 H new ATOM 0 HG SER A 93 -1.283 -11.411 5.001 1.00 0.00 H new ATOM 1421 N PHE A 94 -0.274 -7.687 3.197 1.00 0.00 N ATOM 1422 CA PHE A 94 -0.254 -6.390 3.864 1.00 0.00 C ATOM 1423 C PHE A 94 -1.651 -6.003 4.341 1.00 0.00 C ATOM 1424 O PHE A 94 -2.477 -5.528 3.561 1.00 0.00 O ATOM 1425 CB PHE A 94 0.291 -5.316 2.920 1.00 0.00 C ATOM 1426 CG PHE A 94 1.780 -5.377 2.740 1.00 0.00 C ATOM 1427 CD1 PHE A 94 2.631 -4.878 3.714 1.00 0.00 C ATOM 1428 CD2 PHE A 94 2.331 -5.932 1.596 1.00 0.00 C ATOM 1429 CE1 PHE A 94 4.002 -4.933 3.551 1.00 0.00 C ATOM 1430 CE2 PHE A 94 3.701 -5.989 1.427 1.00 0.00 C ATOM 1431 CZ PHE A 94 4.538 -5.488 2.405 1.00 0.00 C ATOM 0 H PHE A 94 -1.037 -7.807 2.531 1.00 0.00 H new ATOM 0 HA PHE A 94 0.400 -6.466 4.733 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.189 -5.421 1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 94 0.019 -4.333 3.305 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.217 -4.441 4.611 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.682 -6.325 0.827 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.654 -4.543 4.319 1.00 0.00 H new ATOM 0 HE2 PHE A 94 4.117 -6.425 0.531 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.609 -5.530 2.274 1.00 0.00 H new ATOM 1441 N THR A 95 -1.909 -6.211 5.628 1.00 0.00 N ATOM 1442 CA THR A 95 -3.206 -5.887 6.210 1.00 0.00 C ATOM 1443 C THR A 95 -3.301 -4.403 6.546 1.00 0.00 C ATOM 1444 O THR A 95 -2.506 -3.881 7.327 1.00 0.00 O ATOM 1445 CB THR A 95 -3.470 -6.709 7.485 1.00 0.00 C ATOM 1446 OG1 THR A 95 -3.479 -8.106 7.175 1.00 0.00 O ATOM 1447 CG2 THR A 95 -4.798 -6.316 8.116 1.00 0.00 C ATOM 0 H THR A 95 -1.237 -6.603 6.288 1.00 0.00 H new ATOM 0 HA THR A 95 -3.960 -6.137 5.464 1.00 0.00 H new ATOM 0 HB THR A 95 -2.671 -6.501 8.197 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.646 -8.621 7.992 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.963 -6.910 9.015 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.777 -5.258 8.378 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.606 -6.498 7.407 1.00 0.00 H new ATOM 1455 N VAL A 96 -4.280 -3.728 5.952 1.00 0.00 N ATOM 1456 CA VAL A 96 -4.481 -2.304 6.190 1.00 0.00 C ATOM 1457 C VAL A 96 -5.905 -2.020 6.655 1.00 0.00 C ATOM 1458 O VAL A 96 -6.812 -1.838 5.841 1.00 0.00 O ATOM 1459 CB VAL A 96 -4.192 -1.477 4.923 1.00 0.00 C ATOM 1460 CG1 VAL A 96 -4.453 0.000 5.178 1.00 0.00 C ATOM 1461 CG2 VAL A 96 -2.761 -1.701 4.457 1.00 0.00 C ATOM 0 H VAL A 96 -4.947 -4.145 5.302 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.781 -2.012 6.973 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.864 -1.809 4.132 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.243 0.568 4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.496 0.141 5.462 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.807 0.350 5.983 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.573 -1.109 3.561 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.070 -1.397 5.244 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.613 -2.757 4.232 1.00 0.00 H new ATOM 1471 N THR A 97 -6.096 -1.983 7.970 1.00 0.00 N ATOM 1472 CA THR A 97 -7.410 -1.721 8.544 1.00 0.00 C ATOM 1473 C THR A 97 -7.602 -0.235 8.823 1.00 0.00 C ATOM 1474 O THR A 97 -6.875 0.356 9.622 1.00 0.00 O ATOM 1475 CB THR A 97 -7.618 -2.509 9.852 1.00 0.00 C ATOM 1476 OG1 THR A 97 -7.406 -3.906 9.621 1.00 0.00 O ATOM 1477 CG2 THR A 97 -9.020 -2.287 10.399 1.00 0.00 C ATOM 0 H THR A 97 -5.357 -2.131 8.658 1.00 0.00 H new ATOM 0 HA THR A 97 -8.147 -2.048 7.810 1.00 0.00 H new ATOM 0 HB THR A 97 -6.897 -2.149 10.586 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.538 -4.400 10.457 1.00 0.00 H new ATOM 0 HG21 THR A 97 -9.144 -2.853 11.322 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.168 -1.226 10.601 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.754 -2.623 9.666 1.00 0.00 H new ATOM 1485 N VAL A 98 -8.587 0.364 8.161 1.00 0.00 N ATOM 1486 CA VAL A 98 -8.876 1.782 8.339 1.00 0.00 C ATOM 1487 C VAL A 98 -10.093 1.986 9.234 1.00 0.00 C ATOM 1488 O VAL A 98 -11.050 1.213 9.186 1.00 0.00 O ATOM 1489 CB VAL A 98 -9.122 2.479 6.988 1.00 0.00 C ATOM 1490 CG1 VAL A 98 -9.397 3.961 7.194 1.00 0.00 C ATOM 1491 CG2 VAL A 98 -7.936 2.272 6.058 1.00 0.00 C ATOM 0 H VAL A 98 -9.198 -0.111 7.497 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.001 2.226 8.814 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.001 2.032 6.523 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -9.568 4.437 6.228 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.280 4.083 7.821 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.540 4.426 7.681 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.127 2.771 5.108 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.039 2.691 6.514 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.791 1.206 5.885 1.00 0.00 H new ATOM 1501 N THR A 99 -10.052 3.035 10.050 1.00 0.00 N ATOM 1502 CA THR A 99 -11.151 3.342 10.956 1.00 0.00 C ATOM 1503 C THR A 99 -11.462 4.834 10.959 1.00 0.00 C ATOM 1504 O THR A 99 -10.759 5.624 10.330 1.00 0.00 O ATOM 1505 CB THR A 99 -10.835 2.892 12.395 1.00 0.00 C ATOM 1506 OG1 THR A 99 -9.521 3.324 12.766 1.00 0.00 O ATOM 1507 CG2 THR A 99 -10.933 1.380 12.524 1.00 0.00 C ATOM 0 H THR A 99 -9.269 3.686 10.102 1.00 0.00 H new ATOM 0 HA THR A 99 -12.021 2.794 10.594 1.00 0.00 H new ATOM 0 HB THR A 99 -11.568 3.345 13.063 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.328 3.036 13.683 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.706 1.087 13.549 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.943 1.058 12.270 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.221 0.910 11.846 1.00 0.00 H new ATOM 1515 N GLU A 100 -12.519 5.213 11.671 1.00 0.00 N ATOM 1516 CA GLU A 100 -12.922 6.612 11.754 1.00 0.00 C ATOM 1517 C GLU A 100 -11.992 7.391 12.679 1.00 0.00 C ATOM 1518 O GLU A 100 -11.641 6.941 13.770 1.00 0.00 O ATOM 1519 CB GLU A 100 -14.365 6.721 12.251 1.00 0.00 C ATOM 1520 CG GLU A 100 -15.372 6.021 11.355 1.00 0.00 C ATOM 1521 CD GLU A 100 -16.617 5.588 12.105 1.00 0.00 C ATOM 1522 OE1 GLU A 100 -16.477 5.003 13.200 1.00 0.00 O ATOM 1523 OE2 GLU A 100 -17.731 5.833 11.598 1.00 0.00 O ATOM 0 H GLU A 100 -13.111 4.571 12.198 1.00 0.00 H new ATOM 0 HA GLU A 100 -12.857 7.043 10.755 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -14.428 6.298 13.254 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -14.634 7.774 12.332 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -15.656 6.689 10.542 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -14.904 5.148 10.901 1.00 0.00 H new ATOM 1530 N PRO A 101 -11.583 8.589 12.235 1.00 0.00 N ATOM 1531 CA PRO A 101 -10.689 9.457 13.007 1.00 0.00 C ATOM 1532 C PRO A 101 -11.370 10.038 14.242 1.00 0.00 C ATOM 1533 O PRO A 101 -12.593 10.014 14.375 1.00 0.00 O ATOM 1534 CB PRO A 101 -10.334 10.570 12.018 1.00 0.00 C ATOM 1535 CG PRO A 101 -11.477 10.606 11.062 1.00 0.00 C ATOM 1536 CD PRO A 101 -11.963 9.188 10.944 1.00 0.00 C ATOM 0 HA PRO A 101 -9.823 8.915 13.388 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.212 11.527 12.526 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.395 10.360 11.505 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -12.269 11.261 11.425 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.163 10.993 10.093 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -13.040 9.144 10.782 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.494 8.671 10.107 1.00 0.00 H new ATOM 1544 N PRO A 102 -10.560 10.574 15.167 1.00 0.00 N ATOM 1545 CA PRO A 102 -11.063 11.173 16.407 1.00 0.00 C ATOM 1546 C PRO A 102 -11.807 12.480 16.159 1.00 0.00 C ATOM 1547 O PRO A 102 -11.918 12.937 15.022 1.00 0.00 O ATOM 1548 CB PRO A 102 -9.791 11.428 17.219 1.00 0.00 C ATOM 1549 CG PRO A 102 -8.711 11.557 16.201 1.00 0.00 C ATOM 1550 CD PRO A 102 -9.092 10.638 15.074 1.00 0.00 C ATOM 0 HA PRO A 102 -11.783 10.527 16.909 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.879 12.334 17.819 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.590 10.607 17.908 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.624 12.586 15.853 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.744 11.280 16.621 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.767 11.029 14.110 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.639 9.653 15.188 1.00 0.00 H new