USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 707 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 75 THR OG1 : rot 153:sc= 1.01 USER MOD Set 1.2: A 88 GLN : amide:sc= -3.07! C(o=-2.1!,f=-6.1!) USER MOD Set 1.3: A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 73 ASN : amide:sc= -3.47! C(o=-4.2!,f=-10!) USER MOD Set 2.2: A 92 SER OG : rot -110:sc= -0.755 USER MOD Single : A 15 GLN : amide:sc= -0.0552 K(o=-0.055,f=-1.2!) USER MOD Single : A 16 TYR OH : rot -90:sc= 0.00773 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.00557 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0551 K(o=-0.055,f=-1.7!) USER MOD Single : A 40 HIS : no HD1:sc= -2.32! C(o=-2.3!,f=-4!) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 46 THR OG1 : rot 151:sc= 0.0142 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -53:sc= 0.227 USER MOD Single : A 64 GLN : amide:sc= -0.0315 X(o=-0.031,f=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 71 MET CE :methyl -116:sc= -0.387 (180deg=-1.29) USER MOD Single : A 77 MET CE :methyl -166:sc= -5.84! (180deg=-6.69!) USER MOD Single : A 82 HIS : no HD1:sc= -0.344 X(o=-0.34,f=0.074) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 162:sc= 0.0336 (180deg=0.00745) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 129 N ILE A 12 -8.154 -5.974 -8.497 1.00 0.00 N ATOM 130 CA ILE A 12 -7.203 -5.039 -9.087 1.00 0.00 C ATOM 131 C ILE A 12 -6.361 -4.361 -8.012 1.00 0.00 C ATOM 132 O ILE A 12 -6.817 -3.431 -7.347 1.00 0.00 O ATOM 133 CB ILE A 12 -7.918 -3.960 -9.921 1.00 0.00 C ATOM 134 CG1 ILE A 12 -8.925 -4.606 -10.875 1.00 0.00 C ATOM 135 CG2 ILE A 12 -6.904 -3.130 -10.694 1.00 0.00 C ATOM 136 CD1 ILE A 12 -9.809 -3.606 -11.588 1.00 0.00 C ATOM 0 HA ILE A 12 -6.553 -5.620 -9.741 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.460 -3.298 -9.245 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.385 -5.195 -11.616 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.553 -5.298 -10.314 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.425 -2.372 -11.279 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.222 -2.645 -9.995 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.337 -3.778 -11.363 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.498 -4.134 -12.247 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.376 -3.034 -10.854 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.191 -2.929 -12.177 1.00 0.00 H new ATOM 148 N TRP A 13 -5.130 -4.831 -7.849 1.00 0.00 N ATOM 149 CA TRP A 13 -4.222 -4.268 -6.855 1.00 0.00 C ATOM 150 C TRP A 13 -3.603 -2.968 -7.358 1.00 0.00 C ATOM 151 O TRP A 13 -2.687 -2.985 -8.179 1.00 0.00 O ATOM 152 CB TRP A 13 -3.121 -5.273 -6.512 1.00 0.00 C ATOM 153 CG TRP A 13 -3.611 -6.437 -5.705 1.00 0.00 C ATOM 154 CD1 TRP A 13 -4.232 -7.558 -6.177 1.00 0.00 C ATOM 155 CD2 TRP A 13 -3.520 -6.594 -4.285 1.00 0.00 C ATOM 156 NE1 TRP A 13 -4.534 -8.402 -5.136 1.00 0.00 N ATOM 157 CE2 TRP A 13 -4.107 -7.834 -3.965 1.00 0.00 C ATOM 158 CE3 TRP A 13 -2.999 -5.809 -3.253 1.00 0.00 C ATOM 159 CZ2 TRP A 13 -4.186 -8.304 -2.657 1.00 0.00 C ATOM 160 CZ3 TRP A 13 -3.079 -6.277 -1.955 1.00 0.00 C ATOM 161 CH2 TRP A 13 -3.668 -7.515 -1.666 1.00 0.00 C ATOM 0 H TRP A 13 -4.737 -5.600 -8.392 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.798 -4.050 -5.955 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.675 -5.642 -7.436 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -2.332 -4.763 -5.959 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.453 -7.752 -7.216 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.000 -9.305 -5.221 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.542 -4.854 -3.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -4.640 -9.258 -2.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -2.681 -5.678 -1.149 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -3.714 -7.853 -0.641 1.00 0.00 H new ATOM 172 N GLU A 14 -4.109 -1.845 -6.860 1.00 0.00 N ATOM 173 CA GLU A 14 -3.604 -0.537 -7.261 1.00 0.00 C ATOM 174 C GLU A 14 -2.532 -0.047 -6.292 1.00 0.00 C ATOM 175 O GLU A 14 -2.653 -0.218 -5.079 1.00 0.00 O ATOM 176 CB GLU A 14 -4.748 0.478 -7.328 1.00 0.00 C ATOM 177 CG GLU A 14 -5.890 0.048 -8.234 1.00 0.00 C ATOM 178 CD GLU A 14 -6.611 1.226 -8.862 1.00 0.00 C ATOM 179 OE1 GLU A 14 -6.762 2.261 -8.181 1.00 0.00 O ATOM 180 OE2 GLU A 14 -7.023 1.111 -10.035 1.00 0.00 O ATOM 0 H GLU A 14 -4.868 -1.814 -6.179 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.157 -0.637 -8.250 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.135 0.643 -6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.356 1.432 -7.680 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.501 -0.597 -9.022 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.602 -0.545 -7.659 1.00 0.00 H new ATOM 187 N GLN A 15 -1.484 0.562 -6.837 1.00 0.00 N ATOM 188 CA GLN A 15 -0.390 1.075 -6.021 1.00 0.00 C ATOM 189 C GLN A 15 -0.609 2.545 -5.679 1.00 0.00 C ATOM 190 O GLN A 15 -0.886 3.363 -6.558 1.00 0.00 O ATOM 191 CB GLN A 15 0.943 0.903 -6.751 1.00 0.00 C ATOM 192 CG GLN A 15 1.655 -0.399 -6.419 1.00 0.00 C ATOM 193 CD GLN A 15 2.690 -0.780 -7.458 1.00 0.00 C ATOM 194 OE1 GLN A 15 2.528 -0.498 -8.646 1.00 0.00 O ATOM 195 NE2 GLN A 15 3.764 -1.424 -7.016 1.00 0.00 N ATOM 0 H GLN A 15 -1.369 0.712 -7.839 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.364 0.504 -5.093 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.768 0.948 -7.826 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.596 1.739 -6.500 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.139 -0.306 -5.447 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.920 -1.199 -6.334 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.858 -1.638 -6.023 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.495 -1.705 -7.669 1.00 0.00 H new ATOM 204 N TYR A 16 -0.484 2.875 -4.398 1.00 0.00 N ATOM 205 CA TYR A 16 -0.671 4.246 -3.940 1.00 0.00 C ATOM 206 C TYR A 16 0.613 4.795 -3.326 1.00 0.00 C ATOM 207 O TYR A 16 1.029 4.375 -2.246 1.00 0.00 O ATOM 208 CB TYR A 16 -1.807 4.314 -2.918 1.00 0.00 C ATOM 209 CG TYR A 16 -3.119 3.764 -3.433 1.00 0.00 C ATOM 210 CD1 TYR A 16 -3.258 2.415 -3.734 1.00 0.00 C ATOM 211 CD2 TYR A 16 -4.217 4.594 -3.619 1.00 0.00 C ATOM 212 CE1 TYR A 16 -4.454 1.908 -4.206 1.00 0.00 C ATOM 213 CE2 TYR A 16 -5.417 4.096 -4.089 1.00 0.00 C ATOM 214 CZ TYR A 16 -5.531 2.753 -4.381 1.00 0.00 C ATOM 215 OH TYR A 16 -6.724 2.253 -4.850 1.00 0.00 O ATOM 0 H TYR A 16 -0.254 2.211 -3.659 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.931 4.858 -4.804 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.516 3.760 -2.026 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.951 5.351 -2.616 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.417 1.751 -3.597 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.131 5.646 -3.392 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.545 0.857 -4.436 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.261 4.755 -4.227 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.739 2.307 -5.828 1.00 0.00 H new ATOM 225 N THR A 17 1.237 5.739 -4.024 1.00 0.00 N ATOM 226 CA THR A 17 2.474 6.348 -3.550 1.00 0.00 C ATOM 227 C THR A 17 2.212 7.715 -2.930 1.00 0.00 C ATOM 228 O THR A 17 2.088 8.715 -3.638 1.00 0.00 O ATOM 229 CB THR A 17 3.498 6.501 -4.691 1.00 0.00 C ATOM 230 OG1 THR A 17 3.711 5.238 -5.331 1.00 0.00 O ATOM 231 CG2 THR A 17 4.820 7.037 -4.163 1.00 0.00 C ATOM 0 H THR A 17 0.906 6.098 -4.919 1.00 0.00 H new ATOM 0 HA THR A 17 2.884 5.681 -2.791 1.00 0.00 H new ATOM 0 HB THR A 17 3.099 7.212 -5.415 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.362 5.344 -6.056 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.527 7.137 -4.986 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.659 8.012 -3.703 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.222 6.347 -3.421 1.00 0.00 H new ATOM 239 N VAL A 18 2.130 7.753 -1.604 1.00 0.00 N ATOM 240 CA VAL A 18 1.885 9.000 -0.888 1.00 0.00 C ATOM 241 C VAL A 18 3.084 9.385 -0.029 1.00 0.00 C ATOM 242 O VAL A 18 3.805 8.523 0.473 1.00 0.00 O ATOM 243 CB VAL A 18 0.636 8.896 0.008 1.00 0.00 C ATOM 244 CG1 VAL A 18 -0.627 9.121 -0.808 1.00 0.00 C ATOM 245 CG2 VAL A 18 0.595 7.547 0.709 1.00 0.00 C ATOM 0 H VAL A 18 2.230 6.935 -1.003 1.00 0.00 H new ATOM 0 HA VAL A 18 1.720 9.771 -1.641 1.00 0.00 H new ATOM 0 HB VAL A 18 0.690 9.674 0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.499 9.044 -0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.597 10.113 -1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.692 8.368 -1.593 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.294 7.491 1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.564 6.751 -0.035 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.485 7.431 1.328 1.00 0.00 H new ATOM 255 N THR A 19 3.291 10.688 0.138 1.00 0.00 N ATOM 256 CA THR A 19 4.403 11.189 0.936 1.00 0.00 C ATOM 257 C THR A 19 3.926 11.668 2.303 1.00 0.00 C ATOM 258 O THR A 19 2.973 12.442 2.403 1.00 0.00 O ATOM 259 CB THR A 19 5.129 12.345 0.224 1.00 0.00 C ATOM 260 OG1 THR A 19 4.246 12.980 -0.706 1.00 0.00 O ATOM 261 CG2 THR A 19 6.365 11.840 -0.506 1.00 0.00 C ATOM 0 H THR A 19 2.703 11.415 -0.269 1.00 0.00 H new ATOM 0 HA THR A 19 5.098 10.359 1.067 1.00 0.00 H new ATOM 0 HB THR A 19 5.441 13.067 0.978 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.715 13.715 -1.153 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.861 12.674 -1.001 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.049 11.384 0.210 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.071 11.099 -1.250 1.00 0.00 H new ATOM 269 N LEU A 20 4.594 11.205 3.353 1.00 0.00 N ATOM 270 CA LEU A 20 4.240 11.587 4.715 1.00 0.00 C ATOM 271 C LEU A 20 5.314 12.479 5.328 1.00 0.00 C ATOM 272 O LEU A 20 6.498 12.337 5.025 1.00 0.00 O ATOM 273 CB LEU A 20 4.041 10.341 5.580 1.00 0.00 C ATOM 274 CG LEU A 20 3.167 9.240 4.980 1.00 0.00 C ATOM 275 CD1 LEU A 20 3.524 7.888 5.580 1.00 0.00 C ATOM 276 CD2 LEU A 20 1.693 9.550 5.200 1.00 0.00 C ATOM 0 H LEU A 20 5.385 10.564 3.287 1.00 0.00 H new ATOM 0 HA LEU A 20 3.307 12.148 4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.020 9.918 5.804 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.602 10.649 6.529 1.00 0.00 H new ATOM 0 HG LEU A 20 3.354 9.199 3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.891 7.117 5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.570 7.662 5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.367 7.916 6.658 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.085 8.756 4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.491 9.619 6.269 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.445 10.498 4.722 1.00 0.00 H new ATOM 288 N GLN A 21 4.892 13.397 6.191 1.00 0.00 N ATOM 289 CA GLN A 21 5.819 14.312 6.848 1.00 0.00 C ATOM 290 C GLN A 21 6.056 13.900 8.297 1.00 0.00 C ATOM 291 O GLN A 21 5.187 13.305 8.934 1.00 0.00 O ATOM 292 CB GLN A 21 5.282 15.743 6.793 1.00 0.00 C ATOM 293 CG GLN A 21 4.962 16.219 5.385 1.00 0.00 C ATOM 294 CD GLN A 21 4.407 17.629 5.358 1.00 0.00 C ATOM 295 OE1 GLN A 21 3.194 17.831 5.284 1.00 0.00 O ATOM 296 NE2 GLN A 21 5.293 18.616 5.417 1.00 0.00 N ATOM 0 H GLN A 21 3.915 13.527 6.452 1.00 0.00 H new ATOM 0 HA GLN A 21 6.770 14.268 6.317 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.381 15.808 7.403 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.016 16.415 7.237 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.866 16.177 4.777 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.240 15.540 4.931 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.289 18.404 5.478 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.978 19.586 5.402 1.00 0.00 H new ATOM 305 N LYS A 22 7.238 14.221 8.812 1.00 0.00 N ATOM 306 CA LYS A 22 7.590 13.885 10.187 1.00 0.00 C ATOM 307 C LYS A 22 7.007 14.904 11.162 1.00 0.00 C ATOM 308 O LYS A 22 7.619 15.938 11.433 1.00 0.00 O ATOM 309 CB LYS A 22 9.110 13.824 10.345 1.00 0.00 C ATOM 310 CG LYS A 22 9.576 12.786 11.352 1.00 0.00 C ATOM 311 CD LYS A 22 10.950 12.242 10.998 1.00 0.00 C ATOM 312 CE LYS A 22 11.105 10.793 11.432 1.00 0.00 C ATOM 313 NZ LYS A 22 12.516 10.466 11.780 1.00 0.00 N ATOM 0 H LYS A 22 7.969 14.713 8.298 1.00 0.00 H new ATOM 0 HA LYS A 22 7.168 12.907 10.416 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.559 13.605 9.376 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.475 14.804 10.651 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.605 13.230 12.347 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.858 11.967 11.390 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.107 12.319 9.922 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.718 12.850 11.477 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.465 10.601 12.293 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.767 10.136 10.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.580 9.469 12.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.124 10.624 10.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.831 11.075 12.562 1.00 0.00 H new ATOM 327 N ASP A 23 5.824 14.606 11.685 1.00 0.00 N ATOM 328 CA ASP A 23 5.160 15.495 12.632 1.00 0.00 C ATOM 329 C ASP A 23 6.053 15.768 13.838 1.00 0.00 C ATOM 330 O ASP A 23 7.209 15.345 13.876 1.00 0.00 O ATOM 331 CB ASP A 23 3.834 14.888 13.091 1.00 0.00 C ATOM 332 CG ASP A 23 2.814 15.943 13.470 1.00 0.00 C ATOM 333 OD1 ASP A 23 2.345 16.666 12.566 1.00 0.00 O ATOM 334 OD2 ASP A 23 2.486 16.048 14.670 1.00 0.00 O ATOM 0 H ASP A 23 5.304 13.755 11.470 1.00 0.00 H new ATOM 0 HA ASP A 23 4.962 16.441 12.127 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.428 14.264 12.294 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.013 14.236 13.946 1.00 0.00 H new ATOM 339 N SER A 24 5.510 16.479 14.821 1.00 0.00 N ATOM 340 CA SER A 24 6.259 16.813 16.027 1.00 0.00 C ATOM 341 C SER A 24 7.031 15.601 16.541 1.00 0.00 C ATOM 342 O SER A 24 8.247 15.506 16.369 1.00 0.00 O ATOM 343 CB SER A 24 5.314 17.328 17.114 1.00 0.00 C ATOM 344 OG SER A 24 6.034 17.734 18.265 1.00 0.00 O ATOM 0 H SER A 24 4.554 16.835 14.806 1.00 0.00 H new ATOM 0 HA SER A 24 6.973 17.597 15.775 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.735 18.167 16.729 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.603 16.546 17.383 1.00 0.00 H new ATOM 0 HG SER A 24 5.408 18.061 18.944 1.00 0.00 H new ATOM 350 N LYS A 25 6.316 14.677 17.172 1.00 0.00 N ATOM 351 CA LYS A 25 6.930 13.469 17.711 1.00 0.00 C ATOM 352 C LYS A 25 6.466 12.234 16.945 1.00 0.00 C ATOM 353 O LYS A 25 7.279 11.493 16.392 1.00 0.00 O ATOM 354 CB LYS A 25 6.592 13.319 19.196 1.00 0.00 C ATOM 355 CG LYS A 25 7.343 14.288 20.092 1.00 0.00 C ATOM 356 CD LYS A 25 8.752 13.799 20.384 1.00 0.00 C ATOM 357 CE LYS A 25 9.464 14.709 21.373 1.00 0.00 C ATOM 358 NZ LYS A 25 10.512 13.982 22.141 1.00 0.00 N ATOM 0 H LYS A 25 5.309 14.741 17.323 1.00 0.00 H new ATOM 0 HA LYS A 25 8.010 13.559 17.598 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.521 13.467 19.333 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.816 12.299 19.510 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.388 15.267 19.614 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.800 14.415 21.028 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.711 12.786 20.784 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.322 13.752 19.456 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.919 15.542 20.837 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.736 15.134 22.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.974 14.637 22.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.075 13.202 22.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.221 13.598 21.484 1.00 0.00 H new ATOM 372 N ARG A 26 5.155 12.020 16.915 1.00 0.00 N ATOM 373 CA ARG A 26 4.583 10.875 16.217 1.00 0.00 C ATOM 374 C ARG A 26 5.417 10.514 14.991 1.00 0.00 C ATOM 375 O ARG A 26 5.619 9.339 14.689 1.00 0.00 O ATOM 376 CB ARG A 26 3.143 11.174 15.797 1.00 0.00 C ATOM 377 CG ARG A 26 2.160 11.184 16.956 1.00 0.00 C ATOM 378 CD ARG A 26 1.648 9.786 17.264 1.00 0.00 C ATOM 379 NE ARG A 26 0.322 9.811 17.875 1.00 0.00 N ATOM 380 CZ ARG A 26 0.113 10.031 19.169 1.00 0.00 C ATOM 381 NH1 ARG A 26 1.137 10.244 19.982 1.00 0.00 N ATOM 382 NH2 ARG A 26 -1.124 10.039 19.650 1.00 0.00 N ATOM 0 H ARG A 26 4.469 12.625 17.366 1.00 0.00 H new ATOM 0 HA ARG A 26 4.586 10.026 16.901 1.00 0.00 H new ATOM 0 HB2 ARG A 26 3.113 12.142 15.298 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.824 10.429 15.068 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.643 11.599 17.841 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.320 11.836 16.716 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.612 9.202 16.344 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.346 9.284 17.933 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.488 9.651 17.276 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.089 10.239 19.615 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.974 10.413 20.975 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.915 9.876 19.027 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.284 10.208 20.643 1.00 0.00 H new ATOM 396 N GLY A 27 5.900 11.535 14.288 1.00 0.00 N ATOM 397 CA GLY A 27 6.706 11.304 13.104 1.00 0.00 C ATOM 398 C GLY A 27 5.863 11.071 11.865 1.00 0.00 C ATOM 399 O GLY A 27 5.356 12.018 11.264 1.00 0.00 O ATOM 0 H GLY A 27 5.747 12.517 14.518 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.359 12.161 12.940 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.350 10.440 13.269 1.00 0.00 H new ATOM 403 N PHE A 28 5.714 9.808 11.482 1.00 0.00 N ATOM 404 CA PHE A 28 4.929 9.453 10.305 1.00 0.00 C ATOM 405 C PHE A 28 3.597 8.826 10.709 1.00 0.00 C ATOM 406 O PHE A 28 2.876 8.283 9.873 1.00 0.00 O ATOM 407 CB PHE A 28 5.712 8.486 9.416 1.00 0.00 C ATOM 408 CG PHE A 28 6.994 9.063 8.887 1.00 0.00 C ATOM 409 CD1 PHE A 28 6.989 10.236 8.149 1.00 0.00 C ATOM 410 CD2 PHE A 28 8.204 8.432 9.128 1.00 0.00 C ATOM 411 CE1 PHE A 28 8.167 10.768 7.661 1.00 0.00 C ATOM 412 CE2 PHE A 28 9.386 8.960 8.642 1.00 0.00 C ATOM 413 CZ PHE A 28 9.367 10.130 7.908 1.00 0.00 C ATOM 0 H PHE A 28 6.126 9.013 11.969 1.00 0.00 H new ATOM 0 HA PHE A 28 4.726 10.366 9.745 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.936 7.583 9.984 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.084 8.187 8.577 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.054 10.740 7.953 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.224 7.517 9.702 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.150 11.682 7.087 1.00 0.00 H new ATOM 0 HE2 PHE A 28 10.323 8.458 8.836 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.289 10.545 7.528 1.00 0.00 H new ATOM 423 N GLY A 29 3.278 8.906 11.997 1.00 0.00 N ATOM 424 CA GLY A 29 2.035 8.342 12.490 1.00 0.00 C ATOM 425 C GLY A 29 1.659 7.058 11.778 1.00 0.00 C ATOM 426 O GLY A 29 0.534 6.913 11.298 1.00 0.00 O ATOM 0 H GLY A 29 3.858 9.351 12.708 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.126 8.148 13.559 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.234 9.071 12.366 1.00 0.00 H new ATOM 430 N ILE A 30 2.601 6.124 11.708 1.00 0.00 N ATOM 431 CA ILE A 30 2.363 4.846 11.049 1.00 0.00 C ATOM 432 C ILE A 30 3.151 3.726 11.720 1.00 0.00 C ATOM 433 O ILE A 30 4.284 3.926 12.156 1.00 0.00 O ATOM 434 CB ILE A 30 2.740 4.903 9.557 1.00 0.00 C ATOM 435 CG1 ILE A 30 4.148 5.478 9.387 1.00 0.00 C ATOM 436 CG2 ILE A 30 1.726 5.733 8.785 1.00 0.00 C ATOM 437 CD1 ILE A 30 4.875 4.944 8.173 1.00 0.00 C ATOM 0 H ILE A 30 3.537 6.228 12.100 1.00 0.00 H new ATOM 0 HA ILE A 30 1.296 4.639 11.137 1.00 0.00 H new ATOM 0 HB ILE A 30 2.730 3.890 9.156 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.082 6.563 9.313 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.733 5.254 10.279 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.007 5.763 7.732 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.738 5.284 8.884 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.706 6.747 9.185 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.866 5.394 8.115 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.973 3.861 8.254 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.311 5.191 7.273 1.00 0.00 H new ATOM 449 N ALA A 31 2.544 2.547 11.796 1.00 0.00 N ATOM 450 CA ALA A 31 3.190 1.393 12.410 1.00 0.00 C ATOM 451 C ALA A 31 3.023 0.147 11.547 1.00 0.00 C ATOM 452 O ALA A 31 1.926 -0.150 11.073 1.00 0.00 O ATOM 453 CB ALA A 31 2.629 1.152 13.803 1.00 0.00 C ATOM 0 H ALA A 31 1.606 2.365 11.440 1.00 0.00 H new ATOM 0 HA ALA A 31 4.256 1.606 12.492 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.121 0.287 14.249 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.806 2.030 14.424 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.557 0.965 13.736 1.00 0.00 H new ATOM 459 N VAL A 32 4.118 -0.580 11.346 1.00 0.00 N ATOM 460 CA VAL A 32 4.092 -1.795 10.541 1.00 0.00 C ATOM 461 C VAL A 32 3.970 -3.034 11.420 1.00 0.00 C ATOM 462 O VAL A 32 4.367 -3.023 12.585 1.00 0.00 O ATOM 463 CB VAL A 32 5.357 -1.918 9.671 1.00 0.00 C ATOM 464 CG1 VAL A 32 5.374 -0.841 8.597 1.00 0.00 C ATOM 465 CG2 VAL A 32 6.607 -1.842 10.534 1.00 0.00 C ATOM 0 H VAL A 32 5.034 -0.348 11.730 1.00 0.00 H new ATOM 0 HA VAL A 32 3.219 -1.727 9.892 1.00 0.00 H new ATOM 0 HB VAL A 32 5.343 -2.889 9.177 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.275 -0.944 7.993 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.496 -0.948 7.960 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.363 0.142 9.067 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.491 -1.931 9.903 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.630 -0.887 11.058 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.597 -2.654 11.261 1.00 0.00 H new ATOM 475 N SER A 33 3.418 -4.103 10.853 1.00 0.00 N ATOM 476 CA SER A 33 3.240 -5.351 11.586 1.00 0.00 C ATOM 477 C SER A 33 3.724 -6.539 10.761 1.00 0.00 C ATOM 478 O SER A 33 4.063 -6.397 9.587 1.00 0.00 O ATOM 479 CB SER A 33 1.769 -5.541 11.962 1.00 0.00 C ATOM 480 OG SER A 33 1.014 -5.990 10.851 1.00 0.00 O ATOM 0 H SER A 33 3.087 -4.129 9.889 1.00 0.00 H new ATOM 0 HA SER A 33 3.836 -5.297 12.497 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.688 -6.262 12.776 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.359 -4.600 12.328 1.00 0.00 H new ATOM 0 HG SER A 33 0.078 -6.106 11.117 1.00 0.00 H new ATOM 486 N GLY A 34 3.754 -7.713 11.386 1.00 0.00 N ATOM 487 CA GLY A 34 4.198 -8.909 10.696 1.00 0.00 C ATOM 488 C GLY A 34 5.702 -8.944 10.503 1.00 0.00 C ATOM 489 O GLY A 34 6.433 -8.182 11.135 1.00 0.00 O ATOM 0 H GLY A 34 3.479 -7.856 12.358 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.887 -9.787 11.262 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.709 -8.966 9.724 1.00 0.00 H new ATOM 493 N GLY A 35 6.165 -9.833 9.629 1.00 0.00 N ATOM 494 CA GLY A 35 7.588 -9.948 9.373 1.00 0.00 C ATOM 495 C GLY A 35 7.954 -11.265 8.718 1.00 0.00 C ATOM 496 O GLY A 35 7.362 -12.302 9.019 1.00 0.00 O ATOM 0 H GLY A 35 5.580 -10.475 9.094 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.906 -9.126 8.732 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.132 -9.849 10.312 1.00 0.00 H new ATOM 500 N ARG A 36 8.933 -11.226 7.819 1.00 0.00 N ATOM 501 CA ARG A 36 9.375 -12.425 7.118 1.00 0.00 C ATOM 502 C ARG A 36 9.692 -13.545 8.104 1.00 0.00 C ATOM 503 O ARG A 36 9.472 -14.722 7.814 1.00 0.00 O ATOM 504 CB ARG A 36 10.607 -12.118 6.265 1.00 0.00 C ATOM 505 CG ARG A 36 11.852 -11.810 7.081 1.00 0.00 C ATOM 506 CD ARG A 36 13.080 -11.677 6.195 1.00 0.00 C ATOM 507 NE ARG A 36 13.470 -12.955 5.605 1.00 0.00 N ATOM 508 CZ ARG A 36 14.254 -13.837 6.215 1.00 0.00 C ATOM 509 NH1 ARG A 36 14.729 -13.581 7.426 1.00 0.00 N ATOM 510 NH2 ARG A 36 14.565 -14.979 5.613 1.00 0.00 N ATOM 0 H ARG A 36 9.435 -10.377 7.559 1.00 0.00 H new ATOM 0 HA ARG A 36 8.565 -12.755 6.468 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.810 -12.970 5.616 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.388 -11.269 5.618 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.703 -10.886 7.639 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.014 -12.602 7.813 1.00 0.00 H new ATOM 0 HD2 ARG A 36 12.878 -10.958 5.401 1.00 0.00 H new ATOM 0 HD3 ARG A 36 13.909 -11.280 6.781 1.00 0.00 H new ATOM 0 HE ARG A 36 13.121 -13.183 4.674 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.493 -12.705 7.892 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.331 -14.260 7.892 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.202 -15.180 4.681 1.00 0.00 H new ATOM 0 HH22 ARG A 36 15.167 -15.655 6.082 1.00 0.00 H new ATOM 524 N ASP A 37 10.211 -13.172 9.268 1.00 0.00 N ATOM 525 CA ASP A 37 10.559 -14.145 10.298 1.00 0.00 C ATOM 526 C ASP A 37 9.386 -14.376 11.246 1.00 0.00 C ATOM 527 O ASP A 37 9.254 -15.447 11.836 1.00 0.00 O ATOM 528 CB ASP A 37 11.781 -13.672 11.085 1.00 0.00 C ATOM 529 CG ASP A 37 12.362 -14.762 11.963 1.00 0.00 C ATOM 530 OD1 ASP A 37 12.892 -15.749 11.411 1.00 0.00 O ATOM 531 OD2 ASP A 37 12.286 -14.630 13.203 1.00 0.00 O ATOM 0 H ASP A 37 10.400 -12.203 9.523 1.00 0.00 H new ATOM 0 HA ASP A 37 10.797 -15.088 9.806 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.545 -13.324 10.390 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.503 -12.820 11.705 1.00 0.00 H new ATOM 536 N ASN A 38 8.537 -13.363 11.387 1.00 0.00 N ATOM 537 CA ASN A 38 7.376 -13.455 12.264 1.00 0.00 C ATOM 538 C ASN A 38 6.130 -12.904 11.578 1.00 0.00 C ATOM 539 O ASN A 38 5.603 -11.853 11.943 1.00 0.00 O ATOM 540 CB ASN A 38 7.633 -12.693 13.566 1.00 0.00 C ATOM 541 CG ASN A 38 6.714 -13.138 14.687 1.00 0.00 C ATOM 542 OD1 ASN A 38 6.007 -14.138 14.565 1.00 0.00 O ATOM 543 ND2 ASN A 38 6.719 -12.394 15.787 1.00 0.00 N ATOM 0 H ASN A 38 8.632 -12.469 10.905 1.00 0.00 H new ATOM 0 HA ASN A 38 7.208 -14.507 12.493 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.670 -12.838 13.870 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.499 -11.625 13.392 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.120 -12.644 16.574 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.321 -11.573 15.845 1.00 0.00 H new ATOM 550 N PRO A 39 5.647 -13.629 10.558 1.00 0.00 N ATOM 551 CA PRO A 39 4.457 -13.233 9.799 1.00 0.00 C ATOM 552 C PRO A 39 3.178 -13.356 10.621 1.00 0.00 C ATOM 553 O PRO A 39 2.432 -14.326 10.485 1.00 0.00 O ATOM 554 CB PRO A 39 4.438 -14.221 8.629 1.00 0.00 C ATOM 555 CG PRO A 39 5.173 -15.416 9.130 1.00 0.00 C ATOM 556 CD PRO A 39 6.225 -14.892 10.068 1.00 0.00 C ATOM 0 HA PRO A 39 4.498 -12.188 9.492 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.418 -14.475 8.342 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.921 -13.800 7.747 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.499 -16.102 9.643 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.625 -15.970 8.307 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.419 -15.588 10.884 1.00 0.00 H new ATOM 0 HD3 PRO A 39 7.174 -14.728 9.557 1.00 0.00 H new ATOM 564 N HIS A 40 2.931 -12.367 11.473 1.00 0.00 N ATOM 565 CA HIS A 40 1.741 -12.364 12.317 1.00 0.00 C ATOM 566 C HIS A 40 0.512 -12.797 11.523 1.00 0.00 C ATOM 567 O HIS A 40 -0.254 -13.655 11.964 1.00 0.00 O ATOM 568 CB HIS A 40 1.515 -10.973 12.911 1.00 0.00 C ATOM 569 CG HIS A 40 0.198 -10.828 13.611 1.00 0.00 C ATOM 570 ND1 HIS A 40 -1.013 -11.051 12.990 1.00 0.00 N ATOM 571 CD2 HIS A 40 -0.092 -10.482 14.887 1.00 0.00 C ATOM 572 CE1 HIS A 40 -1.991 -10.846 13.854 1.00 0.00 C ATOM 573 NE2 HIS A 40 -1.460 -10.500 15.012 1.00 0.00 N ATOM 0 H HIS A 40 3.539 -11.557 11.598 1.00 0.00 H new ATOM 0 HA HIS A 40 1.898 -13.076 13.128 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.318 -10.753 13.615 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.577 -10.232 12.114 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.619 -10.237 15.662 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.047 -10.945 13.648 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.981 -10.282 15.861 1.00 0.00 H new ATOM 582 N PHE A 41 0.328 -12.198 10.351 1.00 0.00 N ATOM 583 CA PHE A 41 -0.809 -12.521 9.498 1.00 0.00 C ATOM 584 C PHE A 41 -1.224 -13.979 9.673 1.00 0.00 C ATOM 585 O PHE A 41 -0.602 -14.883 9.117 1.00 0.00 O ATOM 586 CB PHE A 41 -0.466 -12.250 8.031 1.00 0.00 C ATOM 587 CG PHE A 41 -1.632 -11.754 7.225 1.00 0.00 C ATOM 588 CD1 PHE A 41 -2.608 -12.633 6.782 1.00 0.00 C ATOM 589 CD2 PHE A 41 -1.752 -10.411 6.909 1.00 0.00 C ATOM 590 CE1 PHE A 41 -3.682 -12.180 6.039 1.00 0.00 C ATOM 591 CE2 PHE A 41 -2.824 -9.952 6.167 1.00 0.00 C ATOM 592 CZ PHE A 41 -3.790 -10.838 5.731 1.00 0.00 C ATOM 0 H PHE A 41 0.952 -11.486 9.971 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.644 -11.886 9.793 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.337 -11.515 7.984 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.086 -13.167 7.580 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.528 -13.683 7.020 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.999 -9.714 7.246 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.436 -12.875 5.700 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.906 -8.902 5.928 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.628 -10.482 5.150 1.00 0.00 H new ATOM 602 N GLU A 42 -2.280 -14.197 10.451 1.00 0.00 N ATOM 603 CA GLU A 42 -2.778 -15.545 10.701 1.00 0.00 C ATOM 604 C GLU A 42 -2.614 -16.424 9.464 1.00 0.00 C ATOM 605 O GLU A 42 -2.238 -17.591 9.565 1.00 0.00 O ATOM 606 CB GLU A 42 -4.250 -15.500 11.116 1.00 0.00 C ATOM 607 CG GLU A 42 -5.145 -14.797 10.110 1.00 0.00 C ATOM 608 CD GLU A 42 -6.617 -15.082 10.339 1.00 0.00 C ATOM 609 OE1 GLU A 42 -7.069 -14.976 11.498 1.00 0.00 O ATOM 610 OE2 GLU A 42 -7.316 -15.411 9.358 1.00 0.00 O ATOM 0 H GLU A 42 -2.806 -13.459 10.918 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.192 -15.976 11.513 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.610 -16.519 11.260 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.332 -14.994 12.078 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.974 -13.722 10.166 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.870 -15.111 9.103 1.00 0.00 H new ATOM 617 N ASN A 43 -2.899 -15.853 8.298 1.00 0.00 N ATOM 618 CA ASN A 43 -2.785 -16.584 7.041 1.00 0.00 C ATOM 619 C ASN A 43 -1.351 -17.052 6.813 1.00 0.00 C ATOM 620 O ASN A 43 -1.079 -18.251 6.761 1.00 0.00 O ATOM 621 CB ASN A 43 -3.239 -15.706 5.873 1.00 0.00 C ATOM 622 CG ASN A 43 -3.655 -16.522 4.664 1.00 0.00 C ATOM 623 OD1 ASN A 43 -4.545 -17.369 4.750 1.00 0.00 O ATOM 624 ND2 ASN A 43 -3.012 -16.270 3.531 1.00 0.00 N ATOM 0 H ASN A 43 -3.210 -14.887 8.197 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.430 -17.461 7.099 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.075 -15.084 6.193 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.429 -15.032 5.592 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.249 -16.787 2.684 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.281 -15.559 3.507 1.00 0.00 H new ATOM 631 N GLY A 44 -0.437 -16.096 6.677 1.00 0.00 N ATOM 632 CA GLY A 44 0.958 -16.430 6.456 1.00 0.00 C ATOM 633 C GLY A 44 1.586 -15.600 5.354 1.00 0.00 C ATOM 634 O GLY A 44 2.296 -16.127 4.499 1.00 0.00 O ATOM 0 H GLY A 44 -0.638 -15.097 6.716 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.515 -16.281 7.381 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.039 -17.487 6.202 1.00 0.00 H new ATOM 638 N GLU A 45 1.322 -14.297 5.374 1.00 0.00 N ATOM 639 CA GLU A 45 1.865 -13.393 4.366 1.00 0.00 C ATOM 640 C GLU A 45 3.059 -12.618 4.917 1.00 0.00 C ATOM 641 O GLU A 45 2.907 -11.745 5.771 1.00 0.00 O ATOM 642 CB GLU A 45 0.786 -12.418 3.890 1.00 0.00 C ATOM 643 CG GLU A 45 1.313 -11.329 2.971 1.00 0.00 C ATOM 644 CD GLU A 45 1.495 -11.807 1.543 1.00 0.00 C ATOM 645 OE1 GLU A 45 2.096 -12.884 1.350 1.00 0.00 O ATOM 646 OE2 GLU A 45 1.034 -11.104 0.620 1.00 0.00 O ATOM 0 H GLU A 45 0.736 -13.844 6.076 1.00 0.00 H new ATOM 0 HA GLU A 45 2.202 -13.993 3.520 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.008 -12.976 3.369 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.319 -11.954 4.759 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.624 -10.485 2.982 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.267 -10.967 3.353 1.00 0.00 H new ATOM 653 N THR A 46 4.248 -12.945 4.421 1.00 0.00 N ATOM 654 CA THR A 46 5.469 -12.283 4.863 1.00 0.00 C ATOM 655 C THR A 46 5.593 -10.893 4.251 1.00 0.00 C ATOM 656 O THR A 46 6.644 -10.527 3.726 1.00 0.00 O ATOM 657 CB THR A 46 6.718 -13.106 4.498 1.00 0.00 C ATOM 658 OG1 THR A 46 6.720 -13.398 3.096 1.00 0.00 O ATOM 659 CG2 THR A 46 6.764 -14.403 5.292 1.00 0.00 C ATOM 0 H THR A 46 4.391 -13.665 3.713 1.00 0.00 H new ATOM 0 HA THR A 46 5.406 -12.195 5.948 1.00 0.00 H new ATOM 0 HB THR A 46 7.600 -12.516 4.747 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.644 -13.490 2.782 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.655 -14.967 5.017 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.793 -14.176 6.358 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.877 -14.996 5.071 1.00 0.00 H new ATOM 667 N SER A 47 4.512 -10.121 4.321 1.00 0.00 N ATOM 668 CA SER A 47 4.500 -8.771 3.770 1.00 0.00 C ATOM 669 C SER A 47 4.251 -7.739 4.866 1.00 0.00 C ATOM 670 O SER A 47 3.305 -7.862 5.645 1.00 0.00 O ATOM 671 CB SER A 47 3.427 -8.650 2.686 1.00 0.00 C ATOM 672 OG SER A 47 3.717 -9.493 1.585 1.00 0.00 O ATOM 0 H SER A 47 3.634 -10.408 4.754 1.00 0.00 H new ATOM 0 HA SER A 47 5.477 -8.577 3.328 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.454 -8.912 3.102 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.361 -7.616 2.349 1.00 0.00 H new ATOM 0 HG SER A 47 3.016 -9.399 0.907 1.00 0.00 H new ATOM 678 N ILE A 48 5.106 -6.724 4.919 1.00 0.00 N ATOM 679 CA ILE A 48 4.978 -5.670 5.918 1.00 0.00 C ATOM 680 C ILE A 48 3.764 -4.791 5.638 1.00 0.00 C ATOM 681 O ILE A 48 3.723 -4.069 4.642 1.00 0.00 O ATOM 682 CB ILE A 48 6.238 -4.785 5.967 1.00 0.00 C ATOM 683 CG1 ILE A 48 7.491 -5.651 6.115 1.00 0.00 C ATOM 684 CG2 ILE A 48 6.140 -3.786 7.110 1.00 0.00 C ATOM 685 CD1 ILE A 48 7.480 -6.522 7.352 1.00 0.00 C ATOM 0 H ILE A 48 5.895 -6.609 4.282 1.00 0.00 H new ATOM 0 HA ILE A 48 4.852 -6.163 6.882 1.00 0.00 H new ATOM 0 HB ILE A 48 6.311 -4.231 5.031 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.591 -6.286 5.234 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.368 -5.005 6.143 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.038 -3.168 7.131 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.266 -3.151 6.964 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.046 -4.322 8.055 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.398 -7.108 7.392 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.412 -5.893 8.239 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.622 -7.193 7.317 1.00 0.00 H new ATOM 697 N VAL A 49 2.776 -4.856 6.526 1.00 0.00 N ATOM 698 CA VAL A 49 1.561 -4.064 6.377 1.00 0.00 C ATOM 699 C VAL A 49 1.450 -3.015 7.478 1.00 0.00 C ATOM 700 O VAL A 49 2.045 -3.158 8.547 1.00 0.00 O ATOM 701 CB VAL A 49 0.305 -4.954 6.402 1.00 0.00 C ATOM 702 CG1 VAL A 49 -0.080 -5.374 4.992 1.00 0.00 C ATOM 703 CG2 VAL A 49 0.531 -6.171 7.287 1.00 0.00 C ATOM 0 H VAL A 49 2.794 -5.449 7.356 1.00 0.00 H new ATOM 0 HA VAL A 49 1.625 -3.565 5.410 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.519 -4.377 6.821 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.970 -6.002 5.030 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.287 -4.488 4.392 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.740 -5.933 4.542 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.367 -6.789 7.293 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.368 -6.752 6.900 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.754 -5.846 8.303 1.00 0.00 H new ATOM 713 N ILE A 50 0.685 -1.963 7.209 1.00 0.00 N ATOM 714 CA ILE A 50 0.495 -0.890 8.179 1.00 0.00 C ATOM 715 C ILE A 50 -0.659 -1.203 9.124 1.00 0.00 C ATOM 716 O ILE A 50 -1.827 -1.111 8.747 1.00 0.00 O ATOM 717 CB ILE A 50 0.223 0.456 7.482 1.00 0.00 C ATOM 718 CG1 ILE A 50 1.474 0.933 6.740 1.00 0.00 C ATOM 719 CG2 ILE A 50 -0.226 1.496 8.498 1.00 0.00 C ATOM 720 CD1 ILE A 50 2.589 1.378 7.660 1.00 0.00 C ATOM 0 H ILE A 50 0.187 -1.830 6.329 1.00 0.00 H new ATOM 0 HA ILE A 50 1.419 -0.813 8.751 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.577 0.317 6.755 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.839 0.127 6.104 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.204 1.760 6.083 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.415 2.442 7.991 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.140 1.157 8.986 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.555 1.635 9.246 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.443 1.703 7.066 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.242 2.206 8.279 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.887 0.547 8.299 1.00 0.00 H new ATOM 732 N SER A 51 -0.324 -1.571 10.357 1.00 0.00 N ATOM 733 CA SER A 51 -1.333 -1.899 11.358 1.00 0.00 C ATOM 734 C SER A 51 -1.570 -0.721 12.297 1.00 0.00 C ATOM 735 O SER A 51 -2.014 -0.896 13.432 1.00 0.00 O ATOM 736 CB SER A 51 -0.904 -3.128 12.161 1.00 0.00 C ATOM 737 OG SER A 51 -2.001 -3.689 12.860 1.00 0.00 O ATOM 0 H SER A 51 0.638 -1.649 10.687 1.00 0.00 H new ATOM 0 HA SER A 51 -2.266 -2.120 10.839 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.477 -3.873 11.490 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.122 -2.850 12.868 1.00 0.00 H new ATOM 0 HG SER A 51 -2.442 -2.992 13.390 1.00 0.00 H new ATOM 743 N ASP A 52 -1.271 0.481 11.815 1.00 0.00 N ATOM 744 CA ASP A 52 -1.452 1.690 12.610 1.00 0.00 C ATOM 745 C ASP A 52 -1.409 2.933 11.726 1.00 0.00 C ATOM 746 O ASP A 52 -0.423 3.179 11.031 1.00 0.00 O ATOM 747 CB ASP A 52 -0.375 1.781 13.692 1.00 0.00 C ATOM 748 CG ASP A 52 -0.757 2.730 14.810 1.00 0.00 C ATOM 749 OD1 ASP A 52 -1.947 2.753 15.189 1.00 0.00 O ATOM 750 OD2 ASP A 52 0.134 3.451 15.307 1.00 0.00 O ATOM 0 H ASP A 52 -0.902 0.644 10.878 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.431 1.639 13.087 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.196 0.789 14.107 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.561 2.112 13.242 1.00 0.00 H new ATOM 755 N VAL A 53 -2.485 3.712 11.756 1.00 0.00 N ATOM 756 CA VAL A 53 -2.570 4.930 10.958 1.00 0.00 C ATOM 757 C VAL A 53 -3.119 6.089 11.782 1.00 0.00 C ATOM 758 O VAL A 53 -4.332 6.276 11.881 1.00 0.00 O ATOM 759 CB VAL A 53 -3.462 4.727 9.719 1.00 0.00 C ATOM 760 CG1 VAL A 53 -3.738 6.058 9.036 1.00 0.00 C ATOM 761 CG2 VAL A 53 -2.816 3.746 8.752 1.00 0.00 C ATOM 0 H VAL A 53 -3.310 3.522 12.324 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.557 5.167 10.632 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.414 4.308 10.043 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.370 5.895 8.163 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.246 6.726 9.732 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.796 6.509 8.723 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.460 3.615 7.883 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.849 4.134 8.432 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.675 2.786 9.248 1.00 0.00 H new ATOM 771 N LEU A 54 -2.218 6.867 12.371 1.00 0.00 N ATOM 772 CA LEU A 54 -2.611 8.011 13.187 1.00 0.00 C ATOM 773 C LEU A 54 -3.863 8.677 12.624 1.00 0.00 C ATOM 774 O LEU A 54 -3.827 9.355 11.597 1.00 0.00 O ATOM 775 CB LEU A 54 -1.469 9.027 13.260 1.00 0.00 C ATOM 776 CG LEU A 54 -1.290 9.740 14.601 1.00 0.00 C ATOM 777 CD1 LEU A 54 -0.172 10.767 14.515 1.00 0.00 C ATOM 778 CD2 LEU A 54 -2.592 10.400 15.031 1.00 0.00 C ATOM 0 H LEU A 54 -1.210 6.727 12.299 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.833 7.650 14.191 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.538 8.515 13.016 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.630 9.781 12.489 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.016 8.999 15.352 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.060 11.264 15.479 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.761 10.268 14.253 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.415 11.506 13.752 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.447 10.903 15.987 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.896 11.129 14.280 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.368 9.641 15.134 1.00 0.00 H new ATOM 790 N PRO A 55 -4.997 8.481 13.312 1.00 0.00 N ATOM 791 CA PRO A 55 -6.281 9.056 12.901 1.00 0.00 C ATOM 792 C PRO A 55 -6.321 10.571 13.076 1.00 0.00 C ATOM 793 O PRO A 55 -7.353 11.204 12.857 1.00 0.00 O ATOM 794 CB PRO A 55 -7.287 8.383 13.838 1.00 0.00 C ATOM 795 CG PRO A 55 -6.494 8.013 15.043 1.00 0.00 C ATOM 796 CD PRO A 55 -5.113 7.684 14.545 1.00 0.00 C ATOM 0 HA PRO A 55 -6.483 8.887 11.843 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.103 9.059 14.094 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.734 7.504 13.373 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.465 8.835 15.759 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.938 7.159 15.555 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.348 7.955 15.273 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.000 6.618 14.347 1.00 0.00 H new ATOM 804 N GLY A 56 -5.189 11.146 13.472 1.00 0.00 N ATOM 805 CA GLY A 56 -5.117 12.582 13.669 1.00 0.00 C ATOM 806 C GLY A 56 -3.760 13.150 13.301 1.00 0.00 C ATOM 807 O GLY A 56 -3.400 14.244 13.733 1.00 0.00 O ATOM 0 H GLY A 56 -4.322 10.643 13.660 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.886 13.067 13.068 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.334 12.814 14.712 1.00 0.00 H new ATOM 811 N GLY A 57 -3.005 12.403 12.502 1.00 0.00 N ATOM 812 CA GLY A 57 -1.688 12.854 12.091 1.00 0.00 C ATOM 813 C GLY A 57 -1.568 12.998 10.587 1.00 0.00 C ATOM 814 O GLY A 57 -2.559 13.171 9.877 1.00 0.00 O ATOM 0 H GLY A 57 -3.281 11.494 12.132 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.472 13.812 12.563 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.938 12.147 12.446 1.00 0.00 H new ATOM 818 N PRO A 58 -0.328 12.928 10.079 1.00 0.00 N ATOM 819 CA PRO A 58 -0.052 13.050 8.645 1.00 0.00 C ATOM 820 C PRO A 58 -0.550 11.845 7.854 1.00 0.00 C ATOM 821 O PRO A 58 -1.034 11.985 6.731 1.00 0.00 O ATOM 822 CB PRO A 58 1.475 13.136 8.583 1.00 0.00 C ATOM 823 CG PRO A 58 1.943 12.448 9.819 1.00 0.00 C ATOM 824 CD PRO A 58 0.899 12.722 10.866 1.00 0.00 C ATOM 0 HA PRO A 58 -0.559 13.908 8.204 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.863 12.650 7.688 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.812 14.172 8.555 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.055 11.377 9.651 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.917 12.825 10.131 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.796 11.887 11.559 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.147 13.601 11.461 1.00 0.00 H new ATOM 832 N ALA A 59 -0.429 10.662 8.447 1.00 0.00 N ATOM 833 CA ALA A 59 -0.869 9.434 7.798 1.00 0.00 C ATOM 834 C ALA A 59 -2.366 9.471 7.510 1.00 0.00 C ATOM 835 O ALA A 59 -2.799 9.207 6.388 1.00 0.00 O ATOM 836 CB ALA A 59 -0.525 8.229 8.661 1.00 0.00 C ATOM 0 H ALA A 59 -0.030 10.528 9.376 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.345 9.347 6.846 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.859 7.318 8.164 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.554 8.185 8.811 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.023 8.319 9.627 1.00 0.00 H new ATOM 842 N ASP A 60 -3.152 9.799 8.530 1.00 0.00 N ATOM 843 CA ASP A 60 -4.601 9.871 8.386 1.00 0.00 C ATOM 844 C ASP A 60 -4.984 10.502 7.051 1.00 0.00 C ATOM 845 O ASP A 60 -5.057 11.724 6.927 1.00 0.00 O ATOM 846 CB ASP A 60 -5.210 10.674 9.536 1.00 0.00 C ATOM 847 CG ASP A 60 -6.445 11.445 9.114 1.00 0.00 C ATOM 848 OD1 ASP A 60 -7.467 10.800 8.798 1.00 0.00 O ATOM 849 OD2 ASP A 60 -6.391 12.692 9.099 1.00 0.00 O ATOM 0 H ASP A 60 -2.810 10.019 9.465 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.995 8.855 8.414 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.468 9.997 10.351 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.466 11.370 9.923 1.00 0.00 H new ATOM 854 N GLY A 61 -5.227 9.658 6.052 1.00 0.00 N ATOM 855 CA GLY A 61 -5.598 10.152 4.738 1.00 0.00 C ATOM 856 C GLY A 61 -4.628 9.713 3.659 1.00 0.00 C ATOM 857 O GLY A 61 -5.039 9.209 2.612 1.00 0.00 O ATOM 0 H GLY A 61 -5.174 8.642 6.129 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.598 9.798 4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.642 11.241 4.762 1.00 0.00 H new ATOM 861 N LEU A 62 -3.338 9.905 3.911 1.00 0.00 N ATOM 862 CA LEU A 62 -2.307 9.526 2.952 1.00 0.00 C ATOM 863 C LEU A 62 -2.200 8.009 2.836 1.00 0.00 C ATOM 864 O LEU A 62 -2.201 7.458 1.735 1.00 0.00 O ATOM 865 CB LEU A 62 -0.957 10.114 3.367 1.00 0.00 C ATOM 866 CG LEU A 62 -0.859 11.640 3.365 1.00 0.00 C ATOM 867 CD1 LEU A 62 0.413 12.094 4.063 1.00 0.00 C ATOM 868 CD2 LEU A 62 -0.910 12.176 1.942 1.00 0.00 C ATOM 0 H LEU A 62 -2.981 10.321 4.771 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.587 9.926 1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.720 9.756 4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.191 9.720 2.699 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.712 12.040 3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.465 13.183 4.052 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.408 11.742 5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.279 11.684 3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.839 13.264 1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.077 11.767 1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.850 11.882 1.476 1.00 0.00 H new ATOM 880 N LEU A 63 -2.110 7.339 3.980 1.00 0.00 N ATOM 881 CA LEU A 63 -2.006 5.884 4.008 1.00 0.00 C ATOM 882 C LEU A 63 -3.196 5.267 4.735 1.00 0.00 C ATOM 883 O LEU A 63 -3.980 5.971 5.371 1.00 0.00 O ATOM 884 CB LEU A 63 -0.702 5.460 4.688 1.00 0.00 C ATOM 885 CG LEU A 63 0.558 5.532 3.826 1.00 0.00 C ATOM 886 CD1 LEU A 63 1.798 5.285 4.671 1.00 0.00 C ATOM 887 CD2 LEU A 63 0.481 4.530 2.683 1.00 0.00 C ATOM 0 H LEU A 63 -2.107 7.780 4.900 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.006 5.524 2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.553 6.087 5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.817 4.436 5.043 1.00 0.00 H new ATOM 0 HG LEU A 63 0.627 6.533 3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.685 5.340 4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.862 6.041 5.453 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.737 4.296 5.126 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.387 4.596 2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.387 3.522 3.088 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.386 4.753 2.061 1.00 0.00 H new ATOM 899 N GLN A 64 -3.322 3.947 4.638 1.00 0.00 N ATOM 900 CA GLN A 64 -4.416 3.235 5.288 1.00 0.00 C ATOM 901 C GLN A 64 -3.928 1.925 5.896 1.00 0.00 C ATOM 902 O GLN A 64 -2.893 1.392 5.495 1.00 0.00 O ATOM 903 CB GLN A 64 -5.540 2.960 4.287 1.00 0.00 C ATOM 904 CG GLN A 64 -6.216 4.219 3.770 1.00 0.00 C ATOM 905 CD GLN A 64 -7.611 3.955 3.237 1.00 0.00 C ATOM 906 OE1 GLN A 64 -8.598 4.467 3.767 1.00 0.00 O ATOM 907 NE2 GLN A 64 -7.700 3.152 2.183 1.00 0.00 N ATOM 0 H GLN A 64 -2.681 3.350 4.116 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.800 3.865 6.090 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.135 2.402 3.443 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.288 2.324 4.760 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.271 4.953 4.573 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.606 4.656 2.980 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.856 2.750 1.776 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.613 2.938 1.781 1.00 0.00 H new ATOM 916 N GLU A 65 -4.679 1.411 6.865 1.00 0.00 N ATOM 917 CA GLU A 65 -4.321 0.163 7.528 1.00 0.00 C ATOM 918 C GLU A 65 -4.323 -0.999 6.539 1.00 0.00 C ATOM 919 O GLU A 65 -5.066 -0.992 5.559 1.00 0.00 O ATOM 920 CB GLU A 65 -5.291 -0.128 8.676 1.00 0.00 C ATOM 921 CG GLU A 65 -4.645 -0.839 9.853 1.00 0.00 C ATOM 922 CD GLU A 65 -5.630 -1.691 10.631 1.00 0.00 C ATOM 923 OE1 GLU A 65 -6.594 -1.125 11.187 1.00 0.00 O ATOM 924 OE2 GLU A 65 -5.436 -2.923 10.682 1.00 0.00 O ATOM 0 H GLU A 65 -5.539 1.840 7.208 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.314 0.272 7.932 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.723 0.811 9.022 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.113 -0.738 8.300 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.832 -1.469 9.491 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.202 -0.100 10.521 1.00 0.00 H new ATOM 931 N ASN A 66 -3.484 -1.995 6.804 1.00 0.00 N ATOM 932 CA ASN A 66 -3.387 -3.164 5.937 1.00 0.00 C ATOM 933 C ASN A 66 -2.907 -2.770 4.544 1.00 0.00 C ATOM 934 O ASN A 66 -3.333 -3.347 3.543 1.00 0.00 O ATOM 935 CB ASN A 66 -4.743 -3.867 5.842 1.00 0.00 C ATOM 936 CG ASN A 66 -5.100 -4.610 7.115 1.00 0.00 C ATOM 937 OD1 ASN A 66 -4.398 -5.534 7.525 1.00 0.00 O ATOM 938 ND2 ASN A 66 -6.197 -4.208 7.746 1.00 0.00 N ATOM 0 H ASN A 66 -2.862 -2.016 7.612 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.659 -3.849 6.372 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.517 -3.130 5.626 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.728 -4.568 5.008 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.488 -4.670 8.608 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.749 -3.437 7.369 1.00 0.00 H new ATOM 945 N ASP A 67 -2.018 -1.785 4.488 1.00 0.00 N ATOM 946 CA ASP A 67 -1.478 -1.314 3.218 1.00 0.00 C ATOM 947 C ASP A 67 -0.196 -2.061 2.862 1.00 0.00 C ATOM 948 O ASP A 67 0.906 -1.594 3.148 1.00 0.00 O ATOM 949 CB ASP A 67 -1.205 0.190 3.281 1.00 0.00 C ATOM 950 CG ASP A 67 -2.438 1.015 2.971 1.00 0.00 C ATOM 951 OD1 ASP A 67 -3.558 0.527 3.227 1.00 0.00 O ATOM 952 OD2 ASP A 67 -2.283 2.149 2.470 1.00 0.00 O ATOM 0 H ASP A 67 -1.656 -1.297 5.307 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.219 -1.509 2.442 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.839 0.449 4.274 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.415 0.443 2.574 1.00 0.00 H new ATOM 957 N ARG A 68 -0.349 -3.224 2.238 1.00 0.00 N ATOM 958 CA ARG A 68 0.795 -4.037 1.845 1.00 0.00 C ATOM 959 C ARG A 68 1.949 -3.159 1.371 1.00 0.00 C ATOM 960 O ARG A 68 1.954 -2.680 0.237 1.00 0.00 O ATOM 961 CB ARG A 68 0.398 -5.016 0.738 1.00 0.00 C ATOM 962 CG ARG A 68 -0.028 -6.380 1.256 1.00 0.00 C ATOM 963 CD ARG A 68 -1.223 -6.274 2.189 1.00 0.00 C ATOM 964 NE ARG A 68 -2.490 -6.399 1.473 1.00 0.00 N ATOM 965 CZ ARG A 68 -3.678 -6.317 2.061 1.00 0.00 C ATOM 966 NH1 ARG A 68 -3.762 -6.112 3.368 1.00 0.00 N ATOM 967 NH2 ARG A 68 -4.786 -6.441 1.341 1.00 0.00 N ATOM 0 H ARG A 68 -1.255 -3.625 1.994 1.00 0.00 H new ATOM 0 HA ARG A 68 1.124 -4.601 2.718 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.419 -4.585 0.159 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.240 -5.142 0.057 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.278 -7.028 0.416 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.805 -6.847 1.782 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.159 -7.052 2.950 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.193 -5.316 2.709 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.461 -6.558 0.466 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.913 -6.017 3.925 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.676 -6.049 3.817 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.726 -6.599 0.335 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.698 -6.378 1.793 1.00 0.00 H new ATOM 981 N VAL A 69 2.927 -2.951 2.248 1.00 0.00 N ATOM 982 CA VAL A 69 4.086 -2.130 1.920 1.00 0.00 C ATOM 983 C VAL A 69 5.023 -2.860 0.963 1.00 0.00 C ATOM 984 O VAL A 69 5.640 -3.862 1.325 1.00 0.00 O ATOM 985 CB VAL A 69 4.870 -1.734 3.185 1.00 0.00 C ATOM 986 CG1 VAL A 69 5.999 -0.777 2.836 1.00 0.00 C ATOM 987 CG2 VAL A 69 3.938 -1.118 4.218 1.00 0.00 C ATOM 0 H VAL A 69 2.939 -3.340 3.191 1.00 0.00 H new ATOM 0 HA VAL A 69 3.709 -1.228 1.438 1.00 0.00 H new ATOM 0 HB VAL A 69 5.309 -2.634 3.616 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.542 -0.508 3.742 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.680 -1.258 2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.586 0.123 2.381 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.509 -0.844 5.105 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.468 -0.228 3.799 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.168 -1.840 4.490 1.00 0.00 H new ATOM 997 N VAL A 70 5.125 -2.351 -0.260 1.00 0.00 N ATOM 998 CA VAL A 70 5.987 -2.953 -1.270 1.00 0.00 C ATOM 999 C VAL A 70 7.384 -2.342 -1.234 1.00 0.00 C ATOM 1000 O VAL A 70 8.379 -3.052 -1.095 1.00 0.00 O ATOM 1001 CB VAL A 70 5.400 -2.782 -2.684 1.00 0.00 C ATOM 1002 CG1 VAL A 70 6.252 -3.516 -3.708 1.00 0.00 C ATOM 1003 CG2 VAL A 70 3.961 -3.273 -2.725 1.00 0.00 C ATOM 0 H VAL A 70 4.621 -1.522 -0.576 1.00 0.00 H new ATOM 0 HA VAL A 70 6.052 -4.016 -1.038 1.00 0.00 H new ATOM 0 HB VAL A 70 5.406 -1.722 -2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.822 -3.384 -4.701 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.265 -3.113 -3.695 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.281 -4.578 -3.463 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.561 -3.145 -3.731 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.929 -4.328 -2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.360 -2.698 -2.020 1.00 0.00 H new ATOM 1013 N MET A 71 7.449 -1.021 -1.360 1.00 0.00 N ATOM 1014 CA MET A 71 8.725 -0.314 -1.341 1.00 0.00 C ATOM 1015 C MET A 71 8.656 0.908 -0.430 1.00 0.00 C ATOM 1016 O MET A 71 7.606 1.537 -0.298 1.00 0.00 O ATOM 1017 CB MET A 71 9.118 0.112 -2.757 1.00 0.00 C ATOM 1018 CG MET A 71 10.305 1.060 -2.798 1.00 0.00 C ATOM 1019 SD MET A 71 11.281 0.886 -4.304 1.00 0.00 S ATOM 1020 CE MET A 71 12.241 -0.576 -3.919 1.00 0.00 C ATOM 0 H MET A 71 6.634 -0.418 -1.476 1.00 0.00 H new ATOM 0 HA MET A 71 9.483 -0.994 -0.951 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.353 -0.777 -3.343 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.263 0.592 -3.234 1.00 0.00 H new ATOM 0 HG2 MET A 71 9.948 2.087 -2.718 1.00 0.00 H new ATOM 0 HG3 MET A 71 10.942 0.876 -1.933 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.299 -0.316 -3.876 1.00 0.00 H new ATOM 0 HE2 MET A 71 11.926 -0.975 -2.955 1.00 0.00 H new ATOM 0 HE3 MET A 71 12.084 -1.328 -4.692 1.00 0.00 H new ATOM 1030 N VAL A 72 9.780 1.238 0.197 1.00 0.00 N ATOM 1031 CA VAL A 72 9.847 2.385 1.094 1.00 0.00 C ATOM 1032 C VAL A 72 11.104 3.209 0.840 1.00 0.00 C ATOM 1033 O VAL A 72 12.197 2.841 1.269 1.00 0.00 O ATOM 1034 CB VAL A 72 9.824 1.944 2.570 1.00 0.00 C ATOM 1035 CG1 VAL A 72 10.106 3.127 3.485 1.00 0.00 C ATOM 1036 CG2 VAL A 72 8.490 1.301 2.914 1.00 0.00 C ATOM 0 H VAL A 72 10.657 0.727 0.100 1.00 0.00 H new ATOM 0 HA VAL A 72 8.968 2.998 0.892 1.00 0.00 H new ATOM 0 HB VAL A 72 10.608 1.202 2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.086 2.797 4.524 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.088 3.539 3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.346 3.894 3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.492 0.996 3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.686 2.018 2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.333 0.427 2.282 1.00 0.00 H new ATOM 1046 N ASN A 73 10.940 4.327 0.140 1.00 0.00 N ATOM 1047 CA ASN A 73 12.062 5.205 -0.171 1.00 0.00 C ATOM 1048 C ASN A 73 13.119 4.467 -0.988 1.00 0.00 C ATOM 1049 O ASN A 73 14.318 4.677 -0.805 1.00 0.00 O ATOM 1050 CB ASN A 73 12.684 5.749 1.116 1.00 0.00 C ATOM 1051 CG ASN A 73 11.668 6.445 2.000 1.00 0.00 C ATOM 1052 OD1 ASN A 73 10.480 6.496 1.678 1.00 0.00 O ATOM 1053 ND2 ASN A 73 12.131 6.986 3.121 1.00 0.00 N ATOM 0 H ASN A 73 10.041 4.646 -0.222 1.00 0.00 H new ATOM 0 HA ASN A 73 11.685 6.038 -0.764 1.00 0.00 H new ATOM 0 HB2 ASN A 73 13.142 4.929 1.670 1.00 0.00 H new ATOM 0 HB3 ASN A 73 13.481 6.448 0.864 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.494 7.468 3.756 1.00 0.00 H new ATOM 0 HD22 ASN A 73 13.123 6.919 3.347 1.00 0.00 H new ATOM 1060 N GLY A 74 12.666 3.603 -1.891 1.00 0.00 N ATOM 1061 CA GLY A 74 13.585 2.848 -2.722 1.00 0.00 C ATOM 1062 C GLY A 74 14.088 1.592 -2.038 1.00 0.00 C ATOM 1063 O GLY A 74 15.131 1.051 -2.405 1.00 0.00 O ATOM 0 H GLY A 74 11.679 3.412 -2.062 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.088 2.576 -3.653 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.434 3.479 -2.986 1.00 0.00 H new ATOM 1067 N THR A 75 13.345 1.127 -1.039 1.00 0.00 N ATOM 1068 CA THR A 75 13.723 -0.071 -0.299 1.00 0.00 C ATOM 1069 C THR A 75 12.615 -1.118 -0.345 1.00 0.00 C ATOM 1070 O THR A 75 11.462 -0.851 -0.006 1.00 0.00 O ATOM 1071 CB THR A 75 14.045 0.255 1.171 1.00 0.00 C ATOM 1072 OG1 THR A 75 15.094 1.227 1.239 1.00 0.00 O ATOM 1073 CG2 THR A 75 14.460 -1.000 1.925 1.00 0.00 C ATOM 0 H THR A 75 12.478 1.562 -0.723 1.00 0.00 H new ATOM 0 HA THR A 75 14.617 -0.470 -0.779 1.00 0.00 H new ATOM 0 HB THR A 75 13.146 0.659 1.636 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.010 1.742 2.069 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.683 -0.745 2.961 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.648 -1.727 1.896 1.00 0.00 H new ATOM 0 HG23 THR A 75 15.347 -1.428 1.458 1.00 0.00 H new ATOM 1081 N PRO A 76 12.971 -2.338 -0.774 1.00 0.00 N ATOM 1082 CA PRO A 76 12.020 -3.450 -0.873 1.00 0.00 C ATOM 1083 C PRO A 76 11.573 -3.953 0.495 1.00 0.00 C ATOM 1084 O PRO A 76 12.397 -4.326 1.330 1.00 0.00 O ATOM 1085 CB PRO A 76 12.816 -4.532 -1.607 1.00 0.00 C ATOM 1086 CG PRO A 76 14.242 -4.223 -1.306 1.00 0.00 C ATOM 1087 CD PRO A 76 14.327 -2.726 -1.194 1.00 0.00 C ATOM 0 HA PRO A 76 11.102 -3.158 -1.382 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.545 -5.528 -1.258 1.00 0.00 H new ATOM 0 HB3 PRO A 76 12.623 -4.506 -2.680 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.558 -4.702 -0.379 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.896 -4.593 -2.095 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.077 -2.420 -0.465 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.600 -2.267 -2.144 1.00 0.00 H new ATOM 1095 N MET A 77 10.262 -3.962 0.717 1.00 0.00 N ATOM 1096 CA MET A 77 9.706 -4.422 1.985 1.00 0.00 C ATOM 1097 C MET A 77 9.044 -5.787 1.824 1.00 0.00 C ATOM 1098 O MET A 77 8.222 -6.188 2.648 1.00 0.00 O ATOM 1099 CB MET A 77 8.691 -3.409 2.518 1.00 0.00 C ATOM 1100 CG MET A 77 9.158 -1.967 2.411 1.00 0.00 C ATOM 1101 SD MET A 77 10.055 -1.416 3.875 1.00 0.00 S ATOM 1102 CE MET A 77 11.748 -1.544 3.304 1.00 0.00 C ATOM 0 H MET A 77 9.566 -3.657 0.037 1.00 0.00 H new ATOM 0 HA MET A 77 10.524 -4.516 2.700 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.756 -3.521 1.969 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.477 -3.636 3.562 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.799 -1.861 1.536 1.00 0.00 H new ATOM 0 HG3 MET A 77 8.295 -1.320 2.254 1.00 0.00 H new ATOM 0 HE1 MET A 77 12.425 -1.480 4.156 1.00 0.00 H new ATOM 0 HE2 MET A 77 11.890 -2.499 2.798 1.00 0.00 H new ATOM 0 HE3 MET A 77 11.960 -0.731 2.610 1.00 0.00 H new ATOM 1112 N GLU A 78 9.406 -6.494 0.759 1.00 0.00 N ATOM 1113 CA GLU A 78 8.845 -7.813 0.491 1.00 0.00 C ATOM 1114 C GLU A 78 9.779 -8.913 0.988 1.00 0.00 C ATOM 1115 O GLU A 78 10.879 -9.091 0.464 1.00 0.00 O ATOM 1116 CB GLU A 78 8.586 -7.987 -1.007 1.00 0.00 C ATOM 1117 CG GLU A 78 9.784 -7.643 -1.876 1.00 0.00 C ATOM 1118 CD GLU A 78 9.679 -8.227 -3.271 1.00 0.00 C ATOM 1119 OE1 GLU A 78 9.288 -9.407 -3.393 1.00 0.00 O ATOM 1120 OE2 GLU A 78 9.990 -7.504 -4.241 1.00 0.00 O ATOM 0 H GLU A 78 10.085 -6.176 0.068 1.00 0.00 H new ATOM 0 HA GLU A 78 7.900 -7.893 1.028 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.293 -9.019 -1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.745 -7.358 -1.297 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.878 -6.559 -1.946 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.692 -8.012 -1.399 1.00 0.00 H new ATOM 1127 N ASP A 79 9.333 -9.646 2.002 1.00 0.00 N ATOM 1128 CA ASP A 79 10.128 -10.729 2.570 1.00 0.00 C ATOM 1129 C ASP A 79 11.296 -10.177 3.381 1.00 0.00 C ATOM 1130 O ASP A 79 12.423 -10.661 3.275 1.00 0.00 O ATOM 1131 CB ASP A 79 10.649 -11.644 1.461 1.00 0.00 C ATOM 1132 CG ASP A 79 10.772 -13.087 1.911 1.00 0.00 C ATOM 1133 OD1 ASP A 79 9.976 -13.508 2.776 1.00 0.00 O ATOM 1134 OD2 ASP A 79 11.666 -13.794 1.400 1.00 0.00 O ATOM 0 H ASP A 79 8.426 -9.510 2.448 1.00 0.00 H new ATOM 0 HA ASP A 79 9.487 -11.307 3.236 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.978 -11.590 0.604 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.623 -11.286 1.126 1.00 0.00 H new ATOM 1139 N VAL A 80 11.020 -9.161 4.192 1.00 0.00 N ATOM 1140 CA VAL A 80 12.047 -8.543 5.021 1.00 0.00 C ATOM 1141 C VAL A 80 11.718 -8.687 6.503 1.00 0.00 C ATOM 1142 O VAL A 80 10.612 -9.088 6.868 1.00 0.00 O ATOM 1143 CB VAL A 80 12.215 -7.048 4.688 1.00 0.00 C ATOM 1144 CG1 VAL A 80 12.541 -6.864 3.213 1.00 0.00 C ATOM 1145 CG2 VAL A 80 10.961 -6.275 5.066 1.00 0.00 C ATOM 0 H VAL A 80 10.093 -8.748 4.292 1.00 0.00 H new ATOM 0 HA VAL A 80 12.981 -9.063 4.806 1.00 0.00 H new ATOM 0 HB VAL A 80 13.047 -6.654 5.272 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.656 -5.802 2.996 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.469 -7.385 2.978 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.732 -7.273 2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.097 -5.221 4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.110 -6.668 4.510 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.777 -6.381 6.135 1.00 0.00 H new ATOM 1155 N LEU A 81 12.684 -8.358 7.353 1.00 0.00 N ATOM 1156 CA LEU A 81 12.498 -8.451 8.797 1.00 0.00 C ATOM 1157 C LEU A 81 11.749 -7.233 9.328 1.00 0.00 C ATOM 1158 O LEU A 81 11.848 -6.138 8.771 1.00 0.00 O ATOM 1159 CB LEU A 81 13.851 -8.579 9.499 1.00 0.00 C ATOM 1160 CG LEU A 81 14.653 -9.842 9.185 1.00 0.00 C ATOM 1161 CD1 LEU A 81 16.085 -9.700 9.676 1.00 0.00 C ATOM 1162 CD2 LEU A 81 13.992 -11.063 9.807 1.00 0.00 C ATOM 0 H LEU A 81 13.605 -8.024 7.067 1.00 0.00 H new ATOM 0 HA LEU A 81 11.903 -9.340 9.006 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.458 -7.713 9.236 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.685 -8.537 10.575 1.00 0.00 H new ATOM 0 HG LEU A 81 14.673 -9.977 8.104 1.00 0.00 H new ATOM 0 HD11 LEU A 81 16.641 -10.608 9.444 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.556 -8.850 9.182 1.00 0.00 H new ATOM 0 HD13 LEU A 81 16.086 -9.540 10.754 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.577 -11.952 9.573 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.940 -10.937 10.888 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.985 -11.175 9.406 1.00 0.00 H new ATOM 1174 N HIS A 82 11.002 -7.429 10.410 1.00 0.00 N ATOM 1175 CA HIS A 82 10.239 -6.345 11.019 1.00 0.00 C ATOM 1176 C HIS A 82 11.122 -5.123 11.252 1.00 0.00 C ATOM 1177 O HIS A 82 10.695 -3.988 11.041 1.00 0.00 O ATOM 1178 CB HIS A 82 9.626 -6.805 12.341 1.00 0.00 C ATOM 1179 CG HIS A 82 8.830 -5.743 13.035 1.00 0.00 C ATOM 1180 ND1 HIS A 82 7.517 -5.462 12.723 1.00 0.00 N ATOM 1181 CD2 HIS A 82 9.169 -4.891 14.031 1.00 0.00 C ATOM 1182 CE1 HIS A 82 7.083 -4.482 13.496 1.00 0.00 C ATOM 1183 NE2 HIS A 82 8.066 -4.118 14.299 1.00 0.00 N ATOM 0 H HIS A 82 10.909 -8.328 10.883 1.00 0.00 H new ATOM 0 HA HIS A 82 9.439 -6.067 10.333 1.00 0.00 H new ATOM 0 HB2 HIS A 82 8.983 -7.665 12.154 1.00 0.00 H new ATOM 0 HB3 HIS A 82 10.423 -7.141 13.004 1.00 0.00 H new ATOM 0 HD2 HIS A 82 10.128 -4.830 14.523 1.00 0.00 H new ATOM 0 HE1 HIS A 82 6.093 -4.052 13.475 1.00 0.00 H new ATOM 0 HE2 HIS A 82 8.014 -3.382 15.004 1.00 0.00 H new ATOM 1192 N SER A 83 12.354 -5.364 11.688 1.00 0.00 N ATOM 1193 CA SER A 83 13.296 -4.282 11.954 1.00 0.00 C ATOM 1194 C SER A 83 13.708 -3.590 10.659 1.00 0.00 C ATOM 1195 O SER A 83 13.956 -2.384 10.638 1.00 0.00 O ATOM 1196 CB SER A 83 14.534 -4.821 12.674 1.00 0.00 C ATOM 1197 OG SER A 83 15.366 -3.764 13.117 1.00 0.00 O ATOM 0 H SER A 83 12.724 -6.298 11.865 1.00 0.00 H new ATOM 0 HA SER A 83 12.801 -3.552 12.594 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.228 -5.428 13.526 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.094 -5.472 12.003 1.00 0.00 H new ATOM 0 HG SER A 83 16.149 -4.134 13.575 1.00 0.00 H new ATOM 1203 N PHE A 84 13.779 -4.361 9.579 1.00 0.00 N ATOM 1204 CA PHE A 84 14.161 -3.824 8.279 1.00 0.00 C ATOM 1205 C PHE A 84 13.146 -2.791 7.797 1.00 0.00 C ATOM 1206 O PHE A 84 13.512 -1.693 7.379 1.00 0.00 O ATOM 1207 CB PHE A 84 14.284 -4.952 7.253 1.00 0.00 C ATOM 1208 CG PHE A 84 14.815 -4.498 5.923 1.00 0.00 C ATOM 1209 CD1 PHE A 84 16.179 -4.381 5.710 1.00 0.00 C ATOM 1210 CD2 PHE A 84 13.949 -4.187 4.887 1.00 0.00 C ATOM 1211 CE1 PHE A 84 16.670 -3.964 4.487 1.00 0.00 C ATOM 1212 CE2 PHE A 84 14.435 -3.770 3.662 1.00 0.00 C ATOM 1213 CZ PHE A 84 15.797 -3.657 3.462 1.00 0.00 C ATOM 0 H PHE A 84 13.577 -5.361 9.579 1.00 0.00 H new ATOM 0 HA PHE A 84 15.129 -3.334 8.387 1.00 0.00 H new ATOM 0 HB2 PHE A 84 14.940 -5.725 7.652 1.00 0.00 H new ATOM 0 HB3 PHE A 84 13.305 -5.408 7.108 1.00 0.00 H new ATOM 0 HD1 PHE A 84 16.866 -4.618 6.509 1.00 0.00 H new ATOM 0 HD2 PHE A 84 12.883 -4.271 5.038 1.00 0.00 H new ATOM 0 HE1 PHE A 84 17.736 -3.878 4.333 1.00 0.00 H new ATOM 0 HE2 PHE A 84 13.750 -3.533 2.862 1.00 0.00 H new ATOM 0 HZ PHE A 84 16.178 -3.329 2.506 1.00 0.00 H new ATOM 1223 N ALA A 85 11.869 -3.153 7.858 1.00 0.00 N ATOM 1224 CA ALA A 85 10.800 -2.259 7.430 1.00 0.00 C ATOM 1225 C ALA A 85 10.902 -0.907 8.129 1.00 0.00 C ATOM 1226 O ALA A 85 10.866 0.141 7.485 1.00 0.00 O ATOM 1227 CB ALA A 85 9.443 -2.893 7.698 1.00 0.00 C ATOM 0 H ALA A 85 11.549 -4.059 8.200 1.00 0.00 H new ATOM 0 HA ALA A 85 10.906 -2.093 6.358 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.654 -2.215 7.374 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.364 -3.831 7.148 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.337 -3.089 8.765 1.00 0.00 H new ATOM 1233 N VAL A 86 11.029 -0.939 9.452 1.00 0.00 N ATOM 1234 CA VAL A 86 11.136 0.284 10.239 1.00 0.00 C ATOM 1235 C VAL A 86 12.469 0.982 9.991 1.00 0.00 C ATOM 1236 O VAL A 86 12.525 2.204 9.862 1.00 0.00 O ATOM 1237 CB VAL A 86 10.992 -0.003 11.745 1.00 0.00 C ATOM 1238 CG1 VAL A 86 11.925 -1.129 12.166 1.00 0.00 C ATOM 1239 CG2 VAL A 86 11.263 1.256 12.555 1.00 0.00 C ATOM 0 H VAL A 86 11.060 -1.798 10.001 1.00 0.00 H new ATOM 0 HA VAL A 86 10.323 0.937 9.922 1.00 0.00 H new ATOM 0 HB VAL A 86 9.968 -0.320 11.941 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.809 -1.318 13.233 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.679 -2.033 11.609 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.956 -0.844 11.958 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.157 1.035 13.617 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.276 1.605 12.356 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.550 2.031 12.273 1.00 0.00 H new ATOM 1249 N GLN A 87 13.539 0.196 9.925 1.00 0.00 N ATOM 1250 CA GLN A 87 14.872 0.739 9.692 1.00 0.00 C ATOM 1251 C GLN A 87 14.829 1.867 8.667 1.00 0.00 C ATOM 1252 O GLN A 87 15.443 2.916 8.859 1.00 0.00 O ATOM 1253 CB GLN A 87 15.819 -0.363 9.216 1.00 0.00 C ATOM 1254 CG GLN A 87 17.288 0.021 9.293 1.00 0.00 C ATOM 1255 CD GLN A 87 18.172 -1.136 9.715 1.00 0.00 C ATOM 1256 OE1 GLN A 87 18.653 -1.183 10.847 1.00 0.00 O ATOM 1257 NE2 GLN A 87 18.391 -2.077 8.804 1.00 0.00 N ATOM 0 H GLN A 87 13.509 -0.818 10.030 1.00 0.00 H new ATOM 0 HA GLN A 87 15.242 1.143 10.634 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.654 -1.257 9.817 1.00 0.00 H new ATOM 0 HB3 GLN A 87 15.573 -0.622 8.186 1.00 0.00 H new ATOM 0 HG2 GLN A 87 17.615 0.387 8.320 1.00 0.00 H new ATOM 0 HG3 GLN A 87 17.408 0.842 10.000 1.00 0.00 H new ATOM 0 HE21 GLN A 87 17.972 -1.997 7.878 1.00 0.00 H new ATOM 0 HE22 GLN A 87 18.978 -2.879 9.031 1.00 0.00 H new ATOM 1266 N GLN A 88 14.100 1.643 7.578 1.00 0.00 N ATOM 1267 CA GLN A 88 13.978 2.641 6.522 1.00 0.00 C ATOM 1268 C GLN A 88 13.270 3.891 7.034 1.00 0.00 C ATOM 1269 O GLN A 88 13.627 5.013 6.670 1.00 0.00 O ATOM 1270 CB GLN A 88 13.217 2.061 5.329 1.00 0.00 C ATOM 1271 CG GLN A 88 13.802 0.759 4.808 1.00 0.00 C ATOM 1272 CD GLN A 88 15.233 0.911 4.332 1.00 0.00 C ATOM 1273 OE1 GLN A 88 15.595 1.923 3.731 1.00 0.00 O ATOM 1274 NE2 GLN A 88 16.057 -0.096 4.599 1.00 0.00 N ATOM 0 H GLN A 88 13.585 0.780 7.404 1.00 0.00 H new ATOM 0 HA GLN A 88 14.982 2.920 6.202 1.00 0.00 H new ATOM 0 HB2 GLN A 88 12.179 1.893 5.618 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.209 2.794 4.523 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.763 0.007 5.596 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.187 0.392 3.986 1.00 0.00 H new ATOM 0 HE21 GLN A 88 15.715 -0.916 5.100 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.032 -0.049 4.303 1.00 0.00 H new ATOM 1283 N LEU A 89 12.265 3.692 7.879 1.00 0.00 N ATOM 1284 CA LEU A 89 11.505 4.803 8.441 1.00 0.00 C ATOM 1285 C LEU A 89 12.381 5.655 9.354 1.00 0.00 C ATOM 1286 O LEU A 89 12.475 6.871 9.184 1.00 0.00 O ATOM 1287 CB LEU A 89 10.296 4.280 9.218 1.00 0.00 C ATOM 1288 CG LEU A 89 9.267 3.491 8.407 1.00 0.00 C ATOM 1289 CD1 LEU A 89 8.257 2.826 9.329 1.00 0.00 C ATOM 1290 CD2 LEU A 89 8.564 4.400 7.409 1.00 0.00 C ATOM 0 H LEU A 89 11.957 2.771 8.190 1.00 0.00 H new ATOM 0 HA LEU A 89 11.157 5.426 7.617 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.656 3.644 10.027 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.792 5.129 9.680 1.00 0.00 H new ATOM 0 HG LEU A 89 9.790 2.712 7.852 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.533 2.269 8.734 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.774 2.143 10.003 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.739 3.588 9.911 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.835 3.822 6.841 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.054 5.202 7.943 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.298 4.829 6.727 1.00 0.00 H new ATOM 1302 N ARG A 90 13.023 5.008 10.321 1.00 0.00 N ATOM 1303 CA ARG A 90 13.892 5.705 11.261 1.00 0.00 C ATOM 1304 C ARG A 90 15.074 6.344 10.537 1.00 0.00 C ATOM 1305 O ARG A 90 15.702 7.271 11.048 1.00 0.00 O ATOM 1306 CB ARG A 90 14.398 4.740 12.334 1.00 0.00 C ATOM 1307 CG ARG A 90 14.823 3.387 11.784 1.00 0.00 C ATOM 1308 CD ARG A 90 15.492 2.537 12.853 1.00 0.00 C ATOM 1309 NE ARG A 90 14.552 2.122 13.890 1.00 0.00 N ATOM 1310 CZ ARG A 90 14.917 1.798 15.126 1.00 0.00 C ATOM 1311 NH1 ARG A 90 16.195 1.841 15.476 1.00 0.00 N ATOM 1312 NH2 ARG A 90 14.002 1.429 16.014 1.00 0.00 N ATOM 0 H ARG A 90 12.958 4.002 10.474 1.00 0.00 H new ATOM 0 HA ARG A 90 13.310 6.494 11.738 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.243 5.195 12.850 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.614 4.591 13.076 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.952 2.862 11.393 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.510 3.531 10.950 1.00 0.00 H new ATOM 0 HD2 ARG A 90 15.934 1.655 12.390 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.307 3.101 13.307 1.00 0.00 H new ATOM 0 HE ARG A 90 13.561 2.078 13.653 1.00 0.00 H new ATOM 0 HH11 ARG A 90 16.901 2.123 14.796 1.00 0.00 H new ATOM 0 HH12 ARG A 90 16.472 1.592 16.425 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.018 1.394 15.748 1.00 0.00 H new ATOM 0 HH22 ARG A 90 14.283 1.180 16.963 1.00 0.00 H new ATOM 1326 N LYS A 91 15.372 5.840 9.344 1.00 0.00 N ATOM 1327 CA LYS A 91 16.478 6.360 8.548 1.00 0.00 C ATOM 1328 C LYS A 91 16.093 7.673 7.875 1.00 0.00 C ATOM 1329 O LYS A 91 16.945 8.523 7.617 1.00 0.00 O ATOM 1330 CB LYS A 91 16.898 5.336 7.492 1.00 0.00 C ATOM 1331 CG LYS A 91 17.801 4.241 8.031 1.00 0.00 C ATOM 1332 CD LYS A 91 17.892 3.068 7.069 1.00 0.00 C ATOM 1333 CE LYS A 91 19.067 3.221 6.114 1.00 0.00 C ATOM 1334 NZ LYS A 91 18.841 2.491 4.836 1.00 0.00 N ATOM 0 H LYS A 91 14.863 5.072 8.907 1.00 0.00 H new ATOM 0 HA LYS A 91 17.318 6.548 9.217 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.005 4.881 7.064 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.412 5.853 6.681 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.798 4.645 8.209 1.00 0.00 H new ATOM 0 HG3 LYS A 91 17.421 3.895 8.992 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.998 2.141 7.633 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.966 2.991 6.499 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.230 4.278 5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.973 2.847 6.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 19.663 2.620 4.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 18.711 1.478 5.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 17.990 2.865 4.369 1.00 0.00 H new ATOM 1348 N SER A 92 14.804 7.832 7.592 1.00 0.00 N ATOM 1349 CA SER A 92 14.306 9.041 6.946 1.00 0.00 C ATOM 1350 C SER A 92 14.525 10.262 7.836 1.00 0.00 C ATOM 1351 O SER A 92 14.596 10.148 9.059 1.00 0.00 O ATOM 1352 CB SER A 92 12.819 8.895 6.618 1.00 0.00 C ATOM 1353 OG SER A 92 12.634 8.371 5.315 1.00 0.00 O ATOM 0 H SER A 92 14.085 7.139 7.800 1.00 0.00 H new ATOM 0 HA SER A 92 14.862 9.183 6.019 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.345 8.239 7.348 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.329 9.866 6.696 1.00 0.00 H new ATOM 0 HG SER A 92 12.269 9.068 4.731 1.00 0.00 H new ATOM 1359 N GLY A 93 14.630 11.431 7.211 1.00 0.00 N ATOM 1360 CA GLY A 93 14.840 12.656 7.960 1.00 0.00 C ATOM 1361 C GLY A 93 13.538 13.329 8.346 1.00 0.00 C ATOM 1362 O GLY A 93 13.202 13.418 9.527 1.00 0.00 O ATOM 0 H GLY A 93 14.573 11.551 6.200 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.412 12.434 8.861 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.439 13.345 7.364 1.00 0.00 H new ATOM 1366 N LYS A 94 12.802 13.807 7.348 1.00 0.00 N ATOM 1367 CA LYS A 94 11.529 14.476 7.587 1.00 0.00 C ATOM 1368 C LYS A 94 10.445 13.931 6.664 1.00 0.00 C ATOM 1369 O LYS A 94 9.306 13.722 7.084 1.00 0.00 O ATOM 1370 CB LYS A 94 11.676 15.986 7.382 1.00 0.00 C ATOM 1371 CG LYS A 94 10.406 16.766 7.671 1.00 0.00 C ATOM 1372 CD LYS A 94 10.364 17.251 9.110 1.00 0.00 C ATOM 1373 CE LYS A 94 9.282 18.301 9.313 1.00 0.00 C ATOM 1374 NZ LYS A 94 9.172 18.715 10.739 1.00 0.00 N ATOM 0 H LYS A 94 13.066 13.743 6.365 1.00 0.00 H new ATOM 0 HA LYS A 94 11.234 14.282 8.618 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.474 16.356 8.026 1.00 0.00 H new ATOM 0 HB3 LYS A 94 11.983 16.176 6.354 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.341 17.620 6.996 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.538 16.137 7.473 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.182 16.406 9.775 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.333 17.668 9.383 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.502 19.173 8.698 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.324 17.906 8.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.663 19.620 10.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.652 17.989 11.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.124 18.825 11.143 1.00 0.00 H new ATOM 1388 N ILE A 95 10.806 13.701 5.406 1.00 0.00 N ATOM 1389 CA ILE A 95 9.864 13.177 4.425 1.00 0.00 C ATOM 1390 C ILE A 95 10.234 11.756 4.011 1.00 0.00 C ATOM 1391 O ILE A 95 11.412 11.407 3.939 1.00 0.00 O ATOM 1392 CB ILE A 95 9.806 14.066 3.169 1.00 0.00 C ATOM 1393 CG1 ILE A 95 9.515 15.517 3.558 1.00 0.00 C ATOM 1394 CG2 ILE A 95 8.752 13.550 2.202 1.00 0.00 C ATOM 1395 CD1 ILE A 95 8.259 15.681 4.384 1.00 0.00 C ATOM 0 H ILE A 95 11.744 13.869 5.042 1.00 0.00 H new ATOM 0 HA ILE A 95 8.884 13.171 4.902 1.00 0.00 H new ATOM 0 HB ILE A 95 10.775 14.030 2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.363 15.911 4.118 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.425 16.116 2.652 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.724 14.189 1.320 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.999 12.531 1.904 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.776 13.559 2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.116 16.735 4.623 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.401 15.317 3.818 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.353 15.109 5.307 1.00 0.00 H new ATOM 1407 N ALA A 96 9.220 10.942 3.739 1.00 0.00 N ATOM 1408 CA ALA A 96 9.439 9.560 3.329 1.00 0.00 C ATOM 1409 C ALA A 96 8.424 9.134 2.273 1.00 0.00 C ATOM 1410 O ALA A 96 7.249 9.491 2.348 1.00 0.00 O ATOM 1411 CB ALA A 96 9.369 8.634 4.534 1.00 0.00 C ATOM 0 H ALA A 96 8.239 11.215 3.795 1.00 0.00 H new ATOM 0 HA ALA A 96 10.434 9.491 2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.534 7.606 4.213 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.136 8.917 5.255 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.386 8.715 4.999 1.00 0.00 H new ATOM 1417 N ALA A 97 8.887 8.370 1.289 1.00 0.00 N ATOM 1418 CA ALA A 97 8.019 7.895 0.218 1.00 0.00 C ATOM 1419 C ALA A 97 7.762 6.397 0.345 1.00 0.00 C ATOM 1420 O ALA A 97 8.698 5.597 0.373 1.00 0.00 O ATOM 1421 CB ALA A 97 8.631 8.214 -1.138 1.00 0.00 C ATOM 0 H ALA A 97 9.858 8.067 1.211 1.00 0.00 H new ATOM 0 HA ALA A 97 7.062 8.411 0.303 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.972 7.854 -1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.758 9.292 -1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.601 7.725 -1.223 1.00 0.00 H new ATOM 1427 N ILE A 98 6.489 6.025 0.421 1.00 0.00 N ATOM 1428 CA ILE A 98 6.109 4.623 0.544 1.00 0.00 C ATOM 1429 C ILE A 98 5.177 4.204 -0.588 1.00 0.00 C ATOM 1430 O ILE A 98 4.211 4.900 -0.900 1.00 0.00 O ATOM 1431 CB ILE A 98 5.420 4.343 1.893 1.00 0.00 C ATOM 1432 CG1 ILE A 98 6.344 4.721 3.051 1.00 0.00 C ATOM 1433 CG2 ILE A 98 5.015 2.879 1.986 1.00 0.00 C ATOM 1434 CD1 ILE A 98 5.619 4.915 4.365 1.00 0.00 C ATOM 0 H ILE A 98 5.703 6.675 0.400 1.00 0.00 H new ATOM 0 HA ILE A 98 7.029 4.041 0.487 1.00 0.00 H new ATOM 0 HB ILE A 98 4.520 4.954 1.959 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.098 3.943 3.173 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.873 5.640 2.798 1.00 0.00 H new ATOM 0 HG21 ILE A 98 4.529 2.696 2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.324 2.641 1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 98 5.901 2.250 1.902 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.337 5.181 5.141 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.884 5.714 4.261 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.113 3.990 4.641 1.00 0.00 H new ATOM 1446 N VAL A 99 5.472 3.061 -1.198 1.00 0.00 N ATOM 1447 CA VAL A 99 4.659 2.547 -2.293 1.00 0.00 C ATOM 1448 C VAL A 99 3.890 1.300 -1.870 1.00 0.00 C ATOM 1449 O VAL A 99 4.436 0.197 -1.855 1.00 0.00 O ATOM 1450 CB VAL A 99 5.522 2.211 -3.524 1.00 0.00 C ATOM 1451 CG1 VAL A 99 4.643 1.846 -4.710 1.00 0.00 C ATOM 1452 CG2 VAL A 99 6.437 3.377 -3.867 1.00 0.00 C ATOM 0 H VAL A 99 6.268 2.473 -0.952 1.00 0.00 H new ATOM 0 HA VAL A 99 3.952 3.334 -2.557 1.00 0.00 H new ATOM 0 HB VAL A 99 6.144 1.348 -3.285 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.271 1.612 -5.570 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.034 0.978 -4.458 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.993 2.686 -4.953 1.00 0.00 H new ATOM 0 HG21 VAL A 99 7.039 3.122 -4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.836 4.259 -4.086 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.093 3.586 -3.022 1.00 0.00 H new ATOM 1462 N VAL A 100 2.619 1.484 -1.526 1.00 0.00 N ATOM 1463 CA VAL A 100 1.774 0.374 -1.103 1.00 0.00 C ATOM 1464 C VAL A 100 0.780 -0.007 -2.194 1.00 0.00 C ATOM 1465 O VAL A 100 0.610 0.718 -3.175 1.00 0.00 O ATOM 1466 CB VAL A 100 1.001 0.716 0.185 1.00 0.00 C ATOM 1467 CG1 VAL A 100 1.963 1.078 1.305 1.00 0.00 C ATOM 1468 CG2 VAL A 100 0.016 1.847 -0.070 1.00 0.00 C ATOM 0 H VAL A 100 2.152 2.391 -1.532 1.00 0.00 H new ATOM 0 HA VAL A 100 2.435 -0.470 -0.907 1.00 0.00 H new ATOM 0 HB VAL A 100 0.437 -0.164 0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.399 1.316 2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.624 0.235 1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.557 1.943 1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.522 2.076 0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.557 2.732 -0.404 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.694 1.544 -0.839 1.00 0.00 H new ATOM 1478 N LYS A 101 0.123 -1.148 -2.017 1.00 0.00 N ATOM 1479 CA LYS A 101 -0.857 -1.626 -2.985 1.00 0.00 C ATOM 1480 C LYS A 101 -2.132 -2.087 -2.286 1.00 0.00 C ATOM 1481 O LYS A 101 -2.094 -2.958 -1.416 1.00 0.00 O ATOM 1482 CB LYS A 101 -0.272 -2.774 -3.810 1.00 0.00 C ATOM 1483 CG LYS A 101 0.186 -3.955 -2.971 1.00 0.00 C ATOM 1484 CD LYS A 101 0.827 -5.032 -3.829 1.00 0.00 C ATOM 1485 CE LYS A 101 0.896 -6.362 -3.094 1.00 0.00 C ATOM 1486 NZ LYS A 101 1.643 -7.388 -3.872 1.00 0.00 N ATOM 0 H LYS A 101 0.252 -1.760 -1.211 1.00 0.00 H new ATOM 0 HA LYS A 101 -1.106 -0.799 -3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.021 -3.115 -4.524 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.573 -2.401 -4.388 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.899 -3.614 -2.220 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.666 -4.374 -2.435 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.256 -5.153 -4.750 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.832 -4.721 -4.115 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.378 -6.218 -2.127 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.114 -6.721 -2.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.667 -8.280 -3.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.169 -7.545 -4.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.615 -7.058 -4.039 1.00 0.00 H new ATOM 1500 N ARG A 102 -3.259 -1.499 -2.672 1.00 0.00 N ATOM 1501 CA ARG A 102 -4.546 -1.850 -2.082 1.00 0.00 C ATOM 1502 C ARG A 102 -5.390 -2.659 -3.062 1.00 0.00 C ATOM 1503 O ARG A 102 -5.513 -2.322 -4.240 1.00 0.00 O ATOM 1504 CB ARG A 102 -5.301 -0.587 -1.663 1.00 0.00 C ATOM 1505 CG ARG A 102 -4.564 0.248 -0.629 1.00 0.00 C ATOM 1506 CD ARG A 102 -5.016 1.700 -0.661 1.00 0.00 C ATOM 1507 NE ARG A 102 -3.942 2.615 -0.285 1.00 0.00 N ATOM 1508 CZ ARG A 102 -4.152 3.824 0.226 1.00 0.00 C ATOM 1509 NH1 ARG A 102 -5.389 4.259 0.420 1.00 0.00 N ATOM 1510 NH2 ARG A 102 -3.123 4.599 0.543 1.00 0.00 N ATOM 0 H ARG A 102 -3.308 -0.777 -3.391 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.358 -2.462 -1.200 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.487 0.025 -2.546 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -6.274 -0.872 -1.262 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.736 -0.166 0.364 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.491 0.195 -0.815 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.370 1.948 -1.662 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.859 1.832 0.017 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.978 2.310 -0.422 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.182 3.666 0.177 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.548 5.187 0.812 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.170 4.267 0.395 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.285 5.527 0.935 1.00 0.00 H new ATOM 1524 N PRO A 103 -5.987 -3.754 -2.566 1.00 0.00 N ATOM 1525 CA PRO A 103 -6.830 -4.633 -3.381 1.00 0.00 C ATOM 1526 C PRO A 103 -8.147 -3.974 -3.773 1.00 0.00 C ATOM 1527 O PRO A 103 -8.992 -3.698 -2.921 1.00 0.00 O ATOM 1528 CB PRO A 103 -7.084 -5.831 -2.462 1.00 0.00 C ATOM 1529 CG PRO A 103 -6.934 -5.289 -1.082 1.00 0.00 C ATOM 1530 CD PRO A 103 -5.884 -4.216 -1.171 1.00 0.00 C ATOM 0 HA PRO A 103 -6.352 -4.895 -4.325 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -8.080 -6.246 -2.618 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -6.371 -6.634 -2.652 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.877 -4.883 -0.718 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.634 -6.072 -0.386 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.074 -3.408 -0.465 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -4.891 -4.606 -0.949 1.00 0.00 H new