USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 722 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 87 THR OG1 : rot -105:sc= 0.239 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -1.28 K(o=-1,f=-5) USER MOD Set 2.1: A 85 HIS : no HD1:sc= 0 X(o=-0.39,f=-0.17) USER MOD Set 2.2: A 111 ASN : amide:sc= -0.395 X(o=-0.39,f=-0.17) USER MOD Set 3.1: A 58 TYR OH : rot 180:sc= -0.0552 USER MOD Set 3.2: A 74 TYR OH : rot 30:sc= -0.234 USER MOD Set 4.1: A 16 THR OG1 : rot 170:sc= 0.167 USER MOD Set 4.2: A 17 HIS : no HD1:sc= -0.0144 K(o=-0.14,f=-4.6!) USER MOD Set 4.3: A 20 LYS NZ :NH3+ -175:sc= -0.288 (180deg=-0.845) USER MOD Single : A 10 ASN :FLIP amide:sc= -2.24! C(o=-7.3!,f=-2.2!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -172:sc= -0.756 USER MOD Single : A 22 THR OG1 : rot 55:sc= 0.186 USER MOD Single : A 25 HIS : no HD1:sc= -4.07! C(o=-4.1!,f=-5.1!) USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= -0.0382 (180deg=-0.214) USER MOD Single : A 29 ASN : amide:sc= -1.12 K(o=-1.1,f=-5.6!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 146:sc= -1.8 (180deg=-3.28) USER MOD Single : A 37 THR OG1 : rot 110:sc= 0.118 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 32:sc= 0.585 USER MOD Single : A 57 LYS NZ :NH3+ -166:sc= -0.0396 (180deg=-0.267) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -168:sc= -0.0141 (180deg=-0.189) USER MOD Single : A 86 HIS : no HE2:sc= -6.49! C(o=-6.5!,f=-12!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -88:sc= -3.28! USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN :FLIP amide:sc= -5.94! C(o=-6.8!,f=-5.9!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot -110:sc= -1.01 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 179 N ASN A 10 0.043 -8.619 11.798 1.00 0.00 N ATOM 180 CA ASN A 10 0.292 -7.385 11.080 1.00 0.00 C ATOM 181 C ASN A 10 1.743 -6.932 11.174 1.00 0.00 C ATOM 182 O ASN A 10 2.591 -7.347 10.384 1.00 0.00 O ATOM 183 CB ASN A 10 -0.623 -6.285 11.620 1.00 0.00 C ATOM 184 CG ASN A 10 -0.839 -6.359 13.115 1.00 0.00 C ATOM 185 OD1 ASN A 10 -0.853 -5.199 13.753 1.00 0.00 O flip ATOM 186 ND2 ASN A 10 -0.985 -7.437 13.692 1.00 0.00 N flip ATOM 0 HA ASN A 10 0.081 -7.576 10.028 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.196 -5.314 11.370 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.588 -6.348 11.118 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -0.967 -8.307 13.160 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -1.124 -7.460 14.702 1.00 0.00 H new ATOM 193 N ASP A 11 2.001 -6.069 12.148 1.00 0.00 N ATOM 194 CA ASP A 11 3.318 -5.500 12.376 1.00 0.00 C ATOM 195 C ASP A 11 4.437 -6.509 12.151 1.00 0.00 C ATOM 196 O ASP A 11 4.743 -7.327 13.017 1.00 0.00 O ATOM 197 CB ASP A 11 3.399 -4.939 13.791 1.00 0.00 C ATOM 198 CG ASP A 11 2.258 -3.991 14.107 1.00 0.00 C ATOM 199 OD1 ASP A 11 2.232 -2.882 13.534 1.00 0.00 O ATOM 200 OD2 ASP A 11 1.394 -4.358 14.930 1.00 0.00 O ATOM 0 H ASP A 11 1.294 -5.743 12.807 1.00 0.00 H new ATOM 0 HA ASP A 11 3.457 -4.700 11.649 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.391 -5.762 14.506 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.347 -4.416 13.917 1.00 0.00 H new ATOM 205 N LYS A 12 5.033 -6.441 10.967 1.00 0.00 N ATOM 206 CA LYS A 12 6.139 -7.318 10.605 1.00 0.00 C ATOM 207 C LYS A 12 7.474 -6.608 10.800 1.00 0.00 C ATOM 208 O LYS A 12 8.000 -5.985 9.878 1.00 0.00 O ATOM 209 CB LYS A 12 6.009 -7.776 9.154 1.00 0.00 C ATOM 210 CG LYS A 12 5.290 -9.104 8.997 1.00 0.00 C ATOM 211 CD LYS A 12 5.709 -9.816 7.718 1.00 0.00 C ATOM 212 CE LYS A 12 7.187 -10.177 7.736 1.00 0.00 C ATOM 213 NZ LYS A 12 7.609 -10.861 6.483 1.00 0.00 N ATOM 0 H LYS A 12 4.766 -5.782 10.236 1.00 0.00 H new ATOM 0 HA LYS A 12 6.103 -8.191 11.257 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.474 -7.014 8.588 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.004 -7.858 8.717 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.505 -9.740 9.856 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.213 -8.937 8.986 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.114 -10.721 7.593 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.500 -9.177 6.860 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.780 -9.272 7.872 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.392 -10.824 8.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.622 -11.089 6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.062 -11.738 6.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.438 -10.234 5.671 1.00 0.00 H new ATOM 227 N TRP A 13 8.013 -6.701 12.009 1.00 0.00 N ATOM 228 CA TRP A 13 9.278 -6.071 12.340 1.00 0.00 C ATOM 229 C TRP A 13 10.445 -6.894 11.812 1.00 0.00 C ATOM 230 O TRP A 13 10.860 -7.870 12.438 1.00 0.00 O ATOM 231 CB TRP A 13 9.366 -5.899 13.856 1.00 0.00 C ATOM 232 CG TRP A 13 8.051 -5.500 14.470 1.00 0.00 C ATOM 233 CD1 TRP A 13 7.018 -6.330 14.796 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.623 -4.174 14.816 1.00 0.00 C ATOM 235 NE1 TRP A 13 5.969 -5.605 15.307 1.00 0.00 N ATOM 236 CE2 TRP A 13 6.315 -4.280 15.332 1.00 0.00 C ATOM 237 CE3 TRP A 13 8.213 -2.910 14.738 1.00 0.00 C ATOM 238 CZ2 TRP A 13 5.586 -3.169 15.761 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.493 -1.810 15.169 1.00 0.00 C ATOM 240 CH2 TRP A 13 6.192 -1.946 15.672 1.00 0.00 C ATOM 0 H TRP A 13 7.586 -7.213 12.781 1.00 0.00 H new ATOM 0 HA TRP A 13 9.332 -5.091 11.866 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.704 -6.833 14.305 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.116 -5.143 14.089 1.00 0.00 H new ATOM 0 HD1 TRP A 13 7.024 -7.403 14.670 1.00 0.00 H new ATOM 0 HE1 TRP A 13 5.077 -5.991 15.617 1.00 0.00 H new ATOM 0 HE3 TRP A 13 9.213 -2.794 14.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.583 -3.271 16.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.942 -0.829 15.117 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.656 -1.066 15.996 1.00 0.00 H new ATOM 251 N VAL A 14 10.977 -6.496 10.652 1.00 0.00 N ATOM 252 CA VAL A 14 12.091 -7.227 10.043 1.00 0.00 C ATOM 253 C VAL A 14 13.029 -6.302 9.278 1.00 0.00 C ATOM 254 O VAL A 14 12.903 -5.082 9.344 1.00 0.00 O ATOM 255 CB VAL A 14 11.587 -8.323 9.081 1.00 0.00 C ATOM 256 CG1 VAL A 14 10.835 -9.405 9.840 1.00 0.00 C ATOM 257 CG2 VAL A 14 10.714 -7.719 7.993 1.00 0.00 C ATOM 0 H VAL A 14 10.660 -5.684 10.123 1.00 0.00 H new ATOM 0 HA VAL A 14 12.638 -7.686 10.867 1.00 0.00 H new ATOM 0 HB VAL A 14 12.453 -8.785 8.606 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.489 -10.167 9.141 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.498 -9.861 10.575 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.978 -8.964 10.349 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.368 -8.507 7.324 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.855 -7.226 8.448 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.292 -6.990 7.425 1.00 0.00 H new ATOM 267 N ASP A 15 13.974 -6.906 8.557 1.00 0.00 N ATOM 268 CA ASP A 15 14.952 -6.160 7.772 1.00 0.00 C ATOM 269 C ASP A 15 14.750 -6.406 6.279 1.00 0.00 C ATOM 270 O ASP A 15 13.837 -7.134 5.884 1.00 0.00 O ATOM 271 CB ASP A 15 16.364 -6.568 8.186 1.00 0.00 C ATOM 272 CG ASP A 15 16.739 -7.949 7.684 1.00 0.00 C ATOM 273 OD1 ASP A 15 16.471 -8.935 8.402 1.00 0.00 O ATOM 274 OD2 ASP A 15 17.303 -8.043 6.574 1.00 0.00 O ATOM 0 H ASP A 15 14.081 -7.919 8.502 1.00 0.00 H new ATOM 0 HA ASP A 15 14.814 -5.096 7.963 1.00 0.00 H new ATOM 0 HB2 ASP A 15 17.077 -5.839 7.801 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.441 -6.547 9.273 1.00 0.00 H new ATOM 279 N THR A 16 15.602 -5.803 5.448 1.00 0.00 N ATOM 280 CA THR A 16 15.494 -5.967 4.000 1.00 0.00 C ATOM 281 C THR A 16 16.648 -5.292 3.262 1.00 0.00 C ATOM 282 O THR A 16 17.588 -4.791 3.877 1.00 0.00 O ATOM 283 CB THR A 16 14.165 -5.386 3.479 1.00 0.00 C ATOM 284 OG1 THR A 16 13.825 -5.985 2.224 1.00 0.00 O ATOM 285 CG2 THR A 16 14.251 -3.875 3.315 1.00 0.00 C ATOM 0 H THR A 16 16.368 -5.202 5.751 1.00 0.00 H new ATOM 0 HA THR A 16 15.532 -7.039 3.805 1.00 0.00 H new ATOM 0 HB THR A 16 13.391 -5.610 4.213 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.910 -5.734 1.979 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.299 -3.494 2.946 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.477 -3.417 4.278 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.040 -3.631 2.603 1.00 0.00 H new ATOM 293 N HIS A 17 16.561 -5.288 1.932 1.00 0.00 N ATOM 294 CA HIS A 17 17.579 -4.666 1.092 1.00 0.00 C ATOM 295 C HIS A 17 16.976 -3.493 0.322 1.00 0.00 C ATOM 296 O HIS A 17 15.823 -3.131 0.541 1.00 0.00 O ATOM 297 CB HIS A 17 18.171 -5.685 0.120 1.00 0.00 C ATOM 298 CG HIS A 17 18.847 -6.836 0.797 1.00 0.00 C ATOM 299 ND1 HIS A 17 18.304 -8.102 0.853 1.00 0.00 N ATOM 300 CD2 HIS A 17 20.035 -6.909 1.445 1.00 0.00 C ATOM 301 CE1 HIS A 17 19.126 -8.903 1.508 1.00 0.00 C ATOM 302 NE2 HIS A 17 20.182 -8.204 1.878 1.00 0.00 N ATOM 0 H HIS A 17 15.791 -5.711 1.413 1.00 0.00 H new ATOM 0 HA HIS A 17 18.379 -4.297 1.733 1.00 0.00 H new ATOM 0 HB2 HIS A 17 17.377 -6.067 -0.521 1.00 0.00 H new ATOM 0 HB3 HIS A 17 18.889 -5.182 -0.528 1.00 0.00 H new ATOM 0 HD2 HIS A 17 20.735 -6.100 1.593 1.00 0.00 H new ATOM 0 HE1 HIS A 17 18.961 -9.952 1.707 1.00 0.00 H new ATOM 0 HE2 HIS A 17 20.979 -8.567 2.401 1.00 0.00 H new ATOM 311 N VAL A 18 17.753 -2.908 -0.583 1.00 0.00 N ATOM 312 CA VAL A 18 17.283 -1.767 -1.364 1.00 0.00 C ATOM 313 C VAL A 18 16.354 -2.193 -2.500 1.00 0.00 C ATOM 314 O VAL A 18 16.621 -3.158 -3.215 1.00 0.00 O ATOM 315 CB VAL A 18 18.458 -0.957 -1.947 1.00 0.00 C ATOM 316 CG1 VAL A 18 19.304 -1.824 -2.868 1.00 0.00 C ATOM 317 CG2 VAL A 18 17.948 0.276 -2.678 1.00 0.00 C ATOM 0 H VAL A 18 18.707 -3.202 -0.794 1.00 0.00 H new ATOM 0 HA VAL A 18 16.722 -1.137 -0.673 1.00 0.00 H new ATOM 0 HB VAL A 18 19.089 -0.625 -1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 18 20.128 -1.233 -3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 18 19.703 -2.669 -2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 18 18.688 -2.192 -3.689 1.00 0.00 H new ATOM 0 HG21 VAL A 18 18.792 0.834 -3.082 1.00 0.00 H new ATOM 0 HG22 VAL A 18 17.292 -0.030 -3.493 1.00 0.00 H new ATOM 0 HG23 VAL A 18 17.394 0.908 -1.983 1.00 0.00 H new ATOM 327 N GLY A 19 15.257 -1.452 -2.647 1.00 0.00 N ATOM 328 CA GLY A 19 14.286 -1.725 -3.692 1.00 0.00 C ATOM 329 C GLY A 19 13.663 -3.101 -3.605 1.00 0.00 C ATOM 330 O GLY A 19 13.046 -3.558 -4.566 1.00 0.00 O ATOM 0 H GLY A 19 15.023 -0.658 -2.052 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.496 -0.975 -3.645 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.771 -1.617 -4.662 1.00 0.00 H new ATOM 334 N LYS A 20 13.831 -3.775 -2.470 1.00 0.00 N ATOM 335 CA LYS A 20 13.247 -5.095 -2.285 1.00 0.00 C ATOM 336 C LYS A 20 11.735 -5.023 -2.463 1.00 0.00 C ATOM 337 O LYS A 20 10.989 -4.890 -1.493 1.00 0.00 O ATOM 338 CB LYS A 20 13.590 -5.639 -0.898 1.00 0.00 C ATOM 339 CG LYS A 20 13.758 -7.142 -0.865 1.00 0.00 C ATOM 340 CD LYS A 20 15.133 -7.518 -1.360 1.00 0.00 C ATOM 341 CE LYS A 20 15.508 -8.937 -0.963 1.00 0.00 C ATOM 342 NZ LYS A 20 15.450 -9.135 0.512 1.00 0.00 N ATOM 0 H LYS A 20 14.363 -3.430 -1.671 1.00 0.00 H new ATOM 0 HA LYS A 20 13.661 -5.771 -3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.511 -5.171 -0.550 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.803 -5.354 -0.200 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.615 -7.510 0.151 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.997 -7.615 -1.486 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.167 -7.423 -2.445 1.00 0.00 H new ATOM 0 HD3 LYS A 20 15.868 -6.821 -0.956 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.833 -9.641 -1.450 1.00 0.00 H new ATOM 0 HE3 LYS A 20 16.513 -9.160 -1.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 15.793 -10.088 0.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.048 -8.425 0.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 14.468 -9.030 0.838 1.00 0.00 H new ATOM 356 N THR A 21 11.292 -5.101 -3.714 1.00 0.00 N ATOM 357 CA THR A 21 9.875 -5.021 -4.034 1.00 0.00 C ATOM 358 C THR A 21 9.075 -6.083 -3.293 1.00 0.00 C ATOM 359 O THR A 21 9.045 -7.247 -3.693 1.00 0.00 O ATOM 360 CB THR A 21 9.626 -5.174 -5.544 1.00 0.00 C ATOM 361 OG1 THR A 21 10.631 -4.468 -6.282 1.00 0.00 O ATOM 362 CG2 THR A 21 8.251 -4.640 -5.916 1.00 0.00 C ATOM 0 H THR A 21 11.899 -5.220 -4.525 1.00 0.00 H new ATOM 0 HA THR A 21 9.543 -4.033 -3.715 1.00 0.00 H new ATOM 0 HB THR A 21 9.672 -6.234 -5.794 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.396 -4.464 -7.233 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.093 -4.757 -6.988 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.486 -5.196 -5.374 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.187 -3.584 -5.653 1.00 0.00 H new ATOM 370 N THR A 22 8.432 -5.672 -2.208 1.00 0.00 N ATOM 371 CA THR A 22 7.622 -6.581 -1.413 1.00 0.00 C ATOM 372 C THR A 22 6.157 -6.472 -1.805 1.00 0.00 C ATOM 373 O THR A 22 5.477 -5.510 -1.447 1.00 0.00 O ATOM 374 CB THR A 22 7.772 -6.302 0.096 1.00 0.00 C ATOM 375 OG1 THR A 22 9.143 -6.441 0.485 1.00 0.00 O ATOM 376 CG2 THR A 22 6.910 -7.251 0.916 1.00 0.00 C ATOM 0 H THR A 22 8.457 -4.714 -1.859 1.00 0.00 H new ATOM 0 HA THR A 22 7.978 -7.592 -1.613 1.00 0.00 H new ATOM 0 HB THR A 22 7.439 -5.282 0.286 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.702 -5.863 -0.075 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.035 -7.032 1.976 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.863 -7.122 0.640 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.213 -8.279 0.720 1.00 0.00 H new ATOM 384 N GLU A 23 5.688 -7.461 -2.558 1.00 0.00 N ATOM 385 CA GLU A 23 4.313 -7.501 -3.010 1.00 0.00 C ATOM 386 C GLU A 23 3.382 -7.913 -1.886 1.00 0.00 C ATOM 387 O GLU A 23 3.472 -9.024 -1.363 1.00 0.00 O ATOM 388 CB GLU A 23 4.186 -8.479 -4.171 1.00 0.00 C ATOM 389 CG GLU A 23 2.805 -8.491 -4.797 1.00 0.00 C ATOM 390 CD GLU A 23 2.734 -9.350 -6.044 1.00 0.00 C ATOM 391 OE1 GLU A 23 2.440 -10.558 -5.917 1.00 0.00 O ATOM 392 OE2 GLU A 23 2.974 -8.816 -7.147 1.00 0.00 O ATOM 0 H GLU A 23 6.252 -8.252 -2.868 1.00 0.00 H new ATOM 0 HA GLU A 23 4.028 -6.501 -3.338 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.921 -8.223 -4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.427 -9.482 -3.820 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.083 -8.857 -4.067 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.515 -7.470 -5.047 1.00 0.00 H new ATOM 399 N ILE A 24 2.487 -7.011 -1.521 1.00 0.00 N ATOM 400 CA ILE A 24 1.534 -7.278 -0.463 1.00 0.00 C ATOM 401 C ILE A 24 0.113 -7.325 -0.999 1.00 0.00 C ATOM 402 O ILE A 24 -0.504 -6.290 -1.243 1.00 0.00 O ATOM 403 CB ILE A 24 1.610 -6.211 0.634 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.031 -6.120 1.190 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.610 -6.518 1.741 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.219 -5.009 2.198 1.00 0.00 C ATOM 0 H ILE A 24 2.402 -6.087 -1.944 1.00 0.00 H new ATOM 0 HA ILE A 24 1.794 -8.250 -0.043 1.00 0.00 H new ATOM 0 HB ILE A 24 1.352 -5.244 0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.291 -7.070 1.657 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.726 -5.971 0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.675 -5.752 2.513 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.398 -6.531 1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.836 -7.492 2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.251 -5.006 2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.992 -4.051 1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.550 -5.168 3.043 1.00 0.00 H new ATOM 418 N HIS A 25 -0.384 -8.535 -1.198 1.00 0.00 N ATOM 419 CA HIS A 25 -1.741 -8.742 -1.677 1.00 0.00 C ATOM 420 C HIS A 25 -2.640 -9.111 -0.506 1.00 0.00 C ATOM 421 O HIS A 25 -2.599 -10.238 -0.013 1.00 0.00 O ATOM 422 CB HIS A 25 -1.771 -9.847 -2.730 1.00 0.00 C ATOM 423 CG HIS A 25 -1.371 -9.389 -4.098 1.00 0.00 C ATOM 424 ND1 HIS A 25 -1.870 -9.951 -5.256 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.512 -8.422 -4.494 1.00 0.00 C ATOM 426 CE1 HIS A 25 -1.333 -9.350 -6.302 1.00 0.00 C ATOM 427 NE2 HIS A 25 -0.506 -8.418 -5.867 1.00 0.00 N ATOM 0 H HIS A 25 0.138 -9.396 -1.033 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.102 -7.821 -2.135 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.106 -10.652 -2.418 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.777 -10.265 -2.776 1.00 0.00 H new ATOM 0 HD2 HIS A 25 0.063 -7.773 -3.850 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -1.536 -9.582 -7.337 1.00 0.00 H new ATOM 0 HE2 HIS A 25 0.048 -7.796 -6.455 1.00 0.00 H new ATOM 436 N LEU A 26 -3.447 -8.158 -0.063 1.00 0.00 N ATOM 437 CA LEU A 26 -4.335 -8.385 1.070 1.00 0.00 C ATOM 438 C LEU A 26 -5.733 -8.776 0.608 1.00 0.00 C ATOM 439 O LEU A 26 -6.091 -8.578 -0.551 1.00 0.00 O ATOM 440 CB LEU A 26 -4.409 -7.128 1.930 1.00 0.00 C ATOM 441 CG LEU A 26 -3.060 -6.609 2.441 1.00 0.00 C ATOM 442 CD1 LEU A 26 -3.208 -5.207 3.007 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.485 -7.549 3.491 1.00 0.00 C ATOM 0 H LEU A 26 -3.506 -7.224 -0.468 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.929 -9.208 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.889 -6.339 1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.051 -7.330 2.787 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.368 -6.571 1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.240 -4.855 3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.573 -4.537 2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.917 -5.222 3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.528 -7.162 3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.175 -7.622 4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.340 -8.537 3.054 1.00 0.00 H new ATOM 455 N LYS A 27 -6.518 -9.337 1.519 1.00 0.00 N ATOM 456 CA LYS A 27 -7.881 -9.740 1.202 1.00 0.00 C ATOM 457 C LYS A 27 -8.868 -8.717 1.744 1.00 0.00 C ATOM 458 O LYS A 27 -8.524 -7.904 2.602 1.00 0.00 O ATOM 459 CB LYS A 27 -8.190 -11.120 1.781 1.00 0.00 C ATOM 460 CG LYS A 27 -7.109 -12.154 1.507 1.00 0.00 C ATOM 461 CD LYS A 27 -7.018 -12.489 0.027 1.00 0.00 C ATOM 462 CE LYS A 27 -5.943 -13.529 -0.244 1.00 0.00 C ATOM 463 NZ LYS A 27 -4.595 -13.060 0.180 1.00 0.00 N ATOM 0 H LYS A 27 -6.235 -9.523 2.481 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.978 -9.792 0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.329 -11.029 2.858 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.134 -11.475 1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.147 -11.777 1.855 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.320 -13.061 2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.981 -12.860 -0.323 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.801 -11.583 -0.539 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.189 -14.451 0.283 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.927 -13.765 -1.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.868 -13.690 -0.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.439 -12.092 -0.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.535 -13.070 1.218 1.00 0.00 H new ATOM 477 N GLY A 28 -10.096 -8.771 1.249 1.00 0.00 N ATOM 478 CA GLY A 28 -11.111 -7.832 1.687 1.00 0.00 C ATOM 479 C GLY A 28 -12.038 -7.413 0.563 1.00 0.00 C ATOM 480 O GLY A 28 -12.334 -8.203 -0.334 1.00 0.00 O ATOM 0 H GLY A 28 -10.409 -9.447 0.552 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.697 -8.283 2.488 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.628 -6.948 2.104 1.00 0.00 H new ATOM 484 N ASN A 29 -12.495 -6.164 0.611 1.00 0.00 N ATOM 485 CA ASN A 29 -13.395 -5.635 -0.410 1.00 0.00 C ATOM 486 C ASN A 29 -13.629 -4.137 -0.218 1.00 0.00 C ATOM 487 O ASN A 29 -13.716 -3.658 0.912 1.00 0.00 O ATOM 488 CB ASN A 29 -14.736 -6.376 -0.374 1.00 0.00 C ATOM 489 CG ASN A 29 -15.323 -6.461 1.022 1.00 0.00 C ATOM 490 OD1 ASN A 29 -14.598 -6.537 2.014 1.00 0.00 O ATOM 491 ND2 ASN A 29 -16.649 -6.448 1.106 1.00 0.00 N ATOM 0 H ASN A 29 -12.256 -5.499 1.347 1.00 0.00 H new ATOM 0 HA ASN A 29 -12.924 -5.789 -1.381 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -15.444 -5.870 -1.031 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -14.600 -7.383 -0.768 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.103 -6.502 2.018 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.213 -6.384 0.259 1.00 0.00 H new ATOM 547 N TYR A 34 -14.258 -0.011 4.603 1.00 0.00 N ATOM 548 CA TYR A 34 -12.849 0.199 4.919 1.00 0.00 C ATOM 549 C TYR A 34 -11.954 -0.066 3.710 1.00 0.00 C ATOM 550 O TYR A 34 -12.420 -0.485 2.650 1.00 0.00 O ATOM 551 CB TYR A 34 -12.418 -0.692 6.085 1.00 0.00 C ATOM 552 CG TYR A 34 -13.028 -0.305 7.415 1.00 0.00 C ATOM 553 CD1 TYR A 34 -14.308 -0.725 7.759 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.326 0.478 8.328 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.871 -0.378 8.972 1.00 0.00 C ATOM 556 CE2 TYR A 34 -12.885 0.828 9.543 1.00 0.00 C ATOM 557 CZ TYR A 34 -14.156 0.399 9.859 1.00 0.00 C ATOM 558 OH TYR A 34 -14.714 0.745 11.068 1.00 0.00 O ATOM 0 HA TYR A 34 -12.735 1.245 5.205 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.688 -1.724 5.860 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.332 -0.659 6.172 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.872 -1.333 7.066 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.330 0.817 8.083 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.866 -0.714 9.224 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.328 1.435 10.241 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.080 1.293 11.576 1.00 0.00 H new ATOM 568 N MET A 35 -10.664 0.187 3.894 1.00 0.00 N ATOM 569 CA MET A 35 -9.670 0.002 2.862 1.00 0.00 C ATOM 570 C MET A 35 -8.355 -0.428 3.490 1.00 0.00 C ATOM 571 O MET A 35 -8.083 -0.124 4.649 1.00 0.00 O ATOM 572 CB MET A 35 -9.454 1.314 2.106 1.00 0.00 C ATOM 573 CG MET A 35 -8.043 1.473 1.568 1.00 0.00 C ATOM 574 SD MET A 35 -7.738 3.099 0.848 1.00 0.00 S ATOM 575 CE MET A 35 -8.879 3.081 -0.533 1.00 0.00 C ATOM 0 H MET A 35 -10.282 0.530 4.775 1.00 0.00 H new ATOM 0 HA MET A 35 -10.018 -0.765 2.170 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.160 1.368 1.277 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.678 2.149 2.770 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.331 1.301 2.375 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.860 0.708 0.813 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.268 4.086 -0.697 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.360 2.742 -1.429 1.00 0.00 H new ATOM 0 HE3 MET A 35 -9.705 2.404 -0.314 1.00 0.00 H new ATOM 585 N TRP A 36 -7.541 -1.123 2.718 1.00 0.00 N ATOM 586 CA TRP A 36 -6.243 -1.562 3.193 1.00 0.00 C ATOM 587 C TRP A 36 -5.146 -0.802 2.463 1.00 0.00 C ATOM 588 O TRP A 36 -4.700 -1.216 1.392 1.00 0.00 O ATOM 589 CB TRP A 36 -6.076 -3.058 2.980 1.00 0.00 C ATOM 590 CG TRP A 36 -6.232 -3.861 4.231 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.123 -4.872 4.456 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.478 -3.716 5.435 1.00 0.00 C ATOM 593 NE1 TRP A 36 -6.968 -5.360 5.731 1.00 0.00 N ATOM 594 CE2 TRP A 36 -5.964 -4.667 6.350 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.438 -2.871 5.825 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.444 -4.794 7.632 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -3.923 -3.000 7.098 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.427 -3.955 7.988 1.00 0.00 C ATOM 0 H TRP A 36 -7.756 -1.396 1.759 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.171 -1.357 4.261 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.809 -3.396 2.247 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.090 -3.249 2.556 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.843 -5.234 3.737 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.512 -6.115 6.148 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.044 -2.131 5.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.830 -5.530 8.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.117 -2.353 7.413 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.002 -4.030 8.978 1.00 0.00 H new ATOM 609 N THR A 37 -4.718 0.315 3.040 1.00 0.00 N ATOM 610 CA THR A 37 -3.686 1.138 2.418 1.00 0.00 C ATOM 611 C THR A 37 -2.631 1.567 3.443 1.00 0.00 C ATOM 612 O THR A 37 -2.550 0.993 4.527 1.00 0.00 O ATOM 613 CB THR A 37 -4.310 2.381 1.757 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.345 3.036 0.927 1.00 0.00 O ATOM 615 CG2 THR A 37 -4.819 3.351 2.812 1.00 0.00 C ATOM 0 H THR A 37 -5.066 0.670 3.931 1.00 0.00 H new ATOM 0 HA THR A 37 -3.198 0.536 1.652 1.00 0.00 H new ATOM 0 HB THR A 37 -5.151 2.056 1.144 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.589 2.918 -0.015 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.256 4.222 2.324 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.576 2.859 3.423 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.990 3.667 3.445 1.00 0.00 H new ATOM 623 N ARG A 38 -1.826 2.577 3.102 1.00 0.00 N ATOM 624 CA ARG A 38 -0.784 3.060 4.005 1.00 0.00 C ATOM 625 C ARG A 38 -1.363 4.044 5.016 1.00 0.00 C ATOM 626 O ARG A 38 -2.335 4.743 4.730 1.00 0.00 O ATOM 627 CB ARG A 38 0.345 3.722 3.208 1.00 0.00 C ATOM 628 CG ARG A 38 1.690 3.065 3.386 1.00 0.00 C ATOM 629 CD ARG A 38 2.670 3.527 2.321 1.00 0.00 C ATOM 630 NE ARG A 38 3.032 4.934 2.441 1.00 0.00 N ATOM 631 CZ ARG A 38 4.241 5.345 2.818 1.00 0.00 C ATOM 632 NH1 ARG A 38 5.165 4.461 3.171 1.00 0.00 N ATOM 633 NH2 ARG A 38 4.530 6.639 2.845 1.00 0.00 N ATOM 0 H ARG A 38 -1.877 3.072 2.212 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.377 2.207 4.548 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.084 3.710 2.150 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.421 4.768 3.506 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.085 3.300 4.374 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.578 1.982 3.337 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.574 2.920 2.381 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.235 3.354 1.337 1.00 0.00 H new ATOM 0 HE ARG A 38 2.325 5.637 2.226 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.950 3.464 3.154 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.091 4.778 3.459 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.824 7.325 2.576 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.458 6.948 3.135 1.00 0.00 H new ATOM 647 N VAL A 39 -0.760 4.095 6.200 1.00 0.00 N ATOM 648 CA VAL A 39 -1.224 4.986 7.256 1.00 0.00 C ATOM 649 C VAL A 39 -0.870 6.438 6.953 1.00 0.00 C ATOM 650 O VAL A 39 0.279 6.756 6.646 1.00 0.00 O ATOM 651 CB VAL A 39 -0.626 4.603 8.622 1.00 0.00 C ATOM 652 CG1 VAL A 39 -1.341 5.340 9.745 1.00 0.00 C ATOM 653 CG2 VAL A 39 -0.689 3.099 8.832 1.00 0.00 C ATOM 0 H VAL A 39 0.051 3.530 6.451 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.308 4.880 7.298 1.00 0.00 H new ATOM 0 HB VAL A 39 0.422 4.902 8.635 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.904 5.056 10.702 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.233 6.415 9.601 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.399 5.077 9.737 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.262 2.849 9.803 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.728 2.770 8.797 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.123 2.598 8.047 1.00 0.00 H new ATOM 663 N GLY A 40 -1.863 7.315 7.050 1.00 0.00 N ATOM 664 CA GLY A 40 -1.641 8.725 6.785 1.00 0.00 C ATOM 665 C GLY A 40 -1.679 9.050 5.306 1.00 0.00 C ATOM 666 O GLY A 40 -1.281 10.140 4.891 1.00 0.00 O ATOM 0 H GLY A 40 -2.820 7.074 7.308 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.399 9.312 7.302 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.675 9.021 7.194 1.00 0.00 H new ATOM 670 N PHE A 41 -2.160 8.102 4.507 1.00 0.00 N ATOM 671 CA PHE A 41 -2.251 8.286 3.063 1.00 0.00 C ATOM 672 C PHE A 41 -3.587 7.783 2.545 1.00 0.00 C ATOM 673 O PHE A 41 -3.837 7.767 1.341 1.00 0.00 O ATOM 674 CB PHE A 41 -1.104 7.556 2.376 1.00 0.00 C ATOM 675 CG PHE A 41 0.236 8.040 2.836 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.782 9.204 2.322 1.00 0.00 C ATOM 677 CD2 PHE A 41 0.936 7.343 3.802 1.00 0.00 C ATOM 678 CE1 PHE A 41 2.010 9.661 2.762 1.00 0.00 C ATOM 679 CE2 PHE A 41 2.162 7.794 4.250 1.00 0.00 C ATOM 680 CZ PHE A 41 2.701 8.956 3.728 1.00 0.00 C ATOM 0 H PHE A 41 -2.494 7.196 4.837 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.178 9.350 2.838 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.188 6.487 2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.185 7.690 1.297 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.243 9.760 1.570 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.519 6.435 4.212 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.429 10.568 2.351 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.699 7.241 5.006 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.660 9.311 4.075 1.00 0.00 H new ATOM 690 N VAL A 42 -4.433 7.365 3.474 1.00 0.00 N ATOM 691 CA VAL A 42 -5.759 6.866 3.139 1.00 0.00 C ATOM 692 C VAL A 42 -6.488 7.821 2.196 1.00 0.00 C ATOM 693 O VAL A 42 -6.502 9.033 2.413 1.00 0.00 O ATOM 694 CB VAL A 42 -6.612 6.661 4.406 1.00 0.00 C ATOM 695 CG1 VAL A 42 -6.699 7.951 5.209 1.00 0.00 C ATOM 696 CG2 VAL A 42 -7.997 6.157 4.041 1.00 0.00 C ATOM 0 H VAL A 42 -4.223 7.361 4.472 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.621 5.907 2.640 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.129 5.907 5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.305 7.785 6.099 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.698 8.264 5.505 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.156 8.730 4.598 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.585 6.018 4.949 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.491 6.884 3.397 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.911 5.206 3.515 1.00 0.00 H new ATOM 706 N GLY A 43 -7.089 7.266 1.149 1.00 0.00 N ATOM 707 CA GLY A 43 -7.816 8.080 0.191 1.00 0.00 C ATOM 708 C GLY A 43 -6.915 8.692 -0.865 1.00 0.00 C ATOM 709 O GLY A 43 -7.316 8.840 -2.020 1.00 0.00 O ATOM 0 H GLY A 43 -7.086 6.266 0.946 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.575 7.468 -0.296 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.339 8.876 0.721 1.00 0.00 H new ATOM 763 N LEU A 47 0.790 6.691 -1.740 1.00 0.00 N ATOM 764 CA LEU A 47 1.117 6.489 -0.338 1.00 0.00 C ATOM 765 C LEU A 47 2.589 6.800 -0.093 1.00 0.00 C ATOM 766 O LEU A 47 2.938 7.548 0.819 1.00 0.00 O ATOM 767 CB LEU A 47 0.805 5.052 0.065 1.00 0.00 C ATOM 768 CG LEU A 47 -0.421 4.440 -0.614 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.550 2.965 -0.262 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.684 5.195 -0.227 1.00 0.00 C ATOM 0 HA LEU A 47 0.514 7.164 0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.673 4.432 -0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.658 5.017 1.145 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.290 4.524 -1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.428 2.549 -0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.340 2.432 -0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.654 2.856 0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.544 4.743 -0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.820 5.147 0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.594 6.237 -0.536 1.00 0.00 H new ATOM 782 N SER A 48 3.443 6.203 -0.919 1.00 0.00 N ATOM 783 CA SER A 48 4.885 6.402 -0.842 1.00 0.00 C ATOM 784 C SER A 48 5.259 7.883 -0.898 1.00 0.00 C ATOM 785 O SER A 48 4.394 8.759 -0.857 1.00 0.00 O ATOM 786 CB SER A 48 5.549 5.670 -2.003 1.00 0.00 C ATOM 787 OG SER A 48 5.339 6.354 -3.226 1.00 0.00 O ATOM 0 H SER A 48 3.153 5.567 -1.662 1.00 0.00 H new ATOM 0 HA SER A 48 5.232 6.007 0.113 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.618 5.577 -1.814 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.149 4.659 -2.075 1.00 0.00 H new ATOM 0 HG SER A 48 5.776 5.865 -3.954 1.00 0.00 H new ATOM 793 N ASP A 49 6.559 8.157 -1.005 1.00 0.00 N ATOM 794 CA ASP A 49 7.046 9.532 -1.069 1.00 0.00 C ATOM 795 C ASP A 49 8.497 9.581 -1.531 1.00 0.00 C ATOM 796 O ASP A 49 8.780 9.862 -2.696 1.00 0.00 O ATOM 797 CB ASP A 49 6.927 10.210 0.296 1.00 0.00 C ATOM 798 CG ASP A 49 6.649 11.696 0.180 1.00 0.00 C ATOM 799 OD1 ASP A 49 5.460 12.076 0.139 1.00 0.00 O ATOM 800 OD2 ASP A 49 7.620 12.480 0.131 1.00 0.00 O ATOM 0 H ASP A 49 7.290 7.447 -1.049 1.00 0.00 H new ATOM 0 HA ASP A 49 6.428 10.064 -1.792 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.127 9.737 0.865 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.850 10.058 0.856 1.00 0.00 H new ATOM 805 N GLU A 50 9.410 9.305 -0.608 1.00 0.00 N ATOM 806 CA GLU A 50 10.832 9.334 -0.905 1.00 0.00 C ATOM 807 C GLU A 50 11.561 8.153 -0.267 1.00 0.00 C ATOM 808 O GLU A 50 12.518 7.624 -0.832 1.00 0.00 O ATOM 809 CB GLU A 50 11.415 10.647 -0.393 1.00 0.00 C ATOM 810 CG GLU A 50 11.405 10.764 1.123 1.00 0.00 C ATOM 811 CD GLU A 50 12.030 12.057 1.612 1.00 0.00 C ATOM 812 OE1 GLU A 50 11.294 13.056 1.750 1.00 0.00 O ATOM 813 OE2 GLU A 50 13.253 12.068 1.859 1.00 0.00 O ATOM 0 H GLU A 50 9.187 9.058 0.356 1.00 0.00 H new ATOM 0 HA GLU A 50 10.966 9.258 -1.984 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.440 10.744 -0.750 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.850 11.477 -0.817 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.378 10.703 1.482 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.943 9.919 1.553 1.00 0.00 H new ATOM 820 N ILE A 51 11.102 7.750 0.911 1.00 0.00 N ATOM 821 CA ILE A 51 11.711 6.641 1.636 1.00 0.00 C ATOM 822 C ILE A 51 11.434 5.310 0.954 1.00 0.00 C ATOM 823 O ILE A 51 12.299 4.753 0.283 1.00 0.00 O ATOM 824 CB ILE A 51 11.188 6.577 3.081 1.00 0.00 C ATOM 825 CG1 ILE A 51 11.274 7.955 3.734 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.968 5.546 3.885 1.00 0.00 C ATOM 827 CD1 ILE A 51 12.693 8.443 3.950 1.00 0.00 C ATOM 0 H ILE A 51 10.307 8.176 1.387 1.00 0.00 H new ATOM 0 HA ILE A 51 12.786 6.820 1.643 1.00 0.00 H new ATOM 0 HB ILE A 51 10.142 6.270 3.062 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.743 8.675 3.112 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.760 7.924 4.695 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.585 5.514 4.905 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.856 4.565 3.424 1.00 0.00 H new ATOM 0 HG23 ILE A 51 13.023 5.820 3.902 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.672 9.427 4.417 1.00 0.00 H new ATOM 0 HD12 ILE A 51 13.223 7.745 4.598 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.205 8.508 2.990 1.00 0.00 H new ATOM 839 N LEU A 52 10.226 4.798 1.148 1.00 0.00 N ATOM 840 CA LEU A 52 9.824 3.529 0.551 1.00 0.00 C ATOM 841 C LEU A 52 8.950 3.745 -0.679 1.00 0.00 C ATOM 842 O LEU A 52 7.888 4.355 -0.585 1.00 0.00 O ATOM 843 CB LEU A 52 9.052 2.687 1.570 1.00 0.00 C ATOM 844 CG LEU A 52 9.910 1.819 2.487 1.00 0.00 C ATOM 845 CD1 LEU A 52 9.132 1.434 3.733 1.00 0.00 C ATOM 846 CD2 LEU A 52 10.381 0.574 1.754 1.00 0.00 C ATOM 0 H LEU A 52 9.505 5.243 1.716 1.00 0.00 H new ATOM 0 HA LEU A 52 10.732 3.007 0.248 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.452 3.355 2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.358 2.041 1.031 1.00 0.00 H new ATOM 0 HG LEU A 52 10.785 2.396 2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.758 0.815 4.376 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.838 2.335 4.271 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.241 0.875 3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.991 -0.033 2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.517 -0.004 1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.973 0.865 0.886 1.00 0.00 H new ATOM 858 N GLU A 53 9.411 3.263 -1.834 1.00 0.00 N ATOM 859 CA GLU A 53 8.635 3.369 -3.064 1.00 0.00 C ATOM 860 C GLU A 53 7.422 2.451 -2.992 1.00 0.00 C ATOM 861 O GLU A 53 7.357 1.428 -3.675 1.00 0.00 O ATOM 862 CB GLU A 53 9.496 3.003 -4.271 1.00 0.00 C ATOM 863 CG GLU A 53 9.903 4.198 -5.105 1.00 0.00 C ATOM 864 CD GLU A 53 9.015 4.398 -6.316 1.00 0.00 C ATOM 865 OE1 GLU A 53 7.994 5.106 -6.193 1.00 0.00 O ATOM 866 OE2 GLU A 53 9.341 3.847 -7.389 1.00 0.00 O ATOM 0 H GLU A 53 10.313 2.798 -1.941 1.00 0.00 H new ATOM 0 HA GLU A 53 8.298 4.399 -3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.393 2.489 -3.925 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.948 2.301 -4.899 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.873 5.095 -4.486 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.935 4.072 -5.433 1.00 0.00 H new ATOM 873 N VAL A 54 6.472 2.820 -2.145 1.00 0.00 N ATOM 874 CA VAL A 54 5.263 2.037 -1.955 1.00 0.00 C ATOM 875 C VAL A 54 4.323 2.146 -3.147 1.00 0.00 C ATOM 876 O VAL A 54 3.404 2.965 -3.153 1.00 0.00 O ATOM 877 CB VAL A 54 4.504 2.473 -0.691 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.372 1.502 -0.398 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.449 2.582 0.496 1.00 0.00 C ATOM 0 H VAL A 54 6.518 3.664 -1.575 1.00 0.00 H new ATOM 0 HA VAL A 54 5.586 1.001 -1.849 1.00 0.00 H new ATOM 0 HB VAL A 54 4.075 3.460 -0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.842 1.821 0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.681 1.484 -1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.780 0.503 -0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.890 2.892 1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.913 1.613 0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.222 3.319 0.279 1.00 0.00 H new ATOM 889 N VAL A 55 4.563 1.325 -4.158 1.00 0.00 N ATOM 890 CA VAL A 55 3.715 1.311 -5.337 1.00 0.00 C ATOM 891 C VAL A 55 2.474 0.485 -5.053 1.00 0.00 C ATOM 892 O VAL A 55 2.455 -0.729 -5.255 1.00 0.00 O ATOM 893 CB VAL A 55 4.435 0.729 -6.558 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.559 0.854 -7.794 1.00 0.00 C ATOM 895 CG2 VAL A 55 5.777 1.416 -6.769 1.00 0.00 C ATOM 0 H VAL A 55 5.337 0.661 -4.185 1.00 0.00 H new ATOM 0 HA VAL A 55 3.449 2.343 -5.565 1.00 0.00 H new ATOM 0 HB VAL A 55 4.626 -0.329 -6.379 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.082 0.437 -8.654 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.628 0.310 -7.637 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.338 1.905 -7.978 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.272 0.988 -7.641 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.619 2.483 -6.929 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.403 1.270 -5.889 1.00 0.00 H new ATOM 905 N CYS A 56 1.443 1.157 -4.579 1.00 0.00 N ATOM 906 CA CYS A 56 0.195 0.499 -4.221 1.00 0.00 C ATOM 907 C CYS A 56 -0.775 0.438 -5.389 1.00 0.00 C ATOM 908 O CYS A 56 -1.040 1.441 -6.051 1.00 0.00 O ATOM 909 CB CYS A 56 -0.462 1.219 -3.047 1.00 0.00 C ATOM 910 SG CYS A 56 -2.019 0.478 -2.500 1.00 0.00 S ATOM 0 H CYS A 56 1.443 2.166 -4.431 1.00 0.00 H new ATOM 0 HA CYS A 56 0.440 -0.524 -3.937 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.235 1.234 -2.209 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.645 2.256 -3.328 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.975 -0.808 -2.682 1.00 0.00 H new ATOM 916 N LYS A 57 -1.301 -0.756 -5.629 1.00 0.00 N ATOM 917 CA LYS A 57 -2.263 -0.975 -6.690 1.00 0.00 C ATOM 918 C LYS A 57 -3.522 -1.611 -6.122 1.00 0.00 C ATOM 919 O LYS A 57 -3.715 -2.826 -6.189 1.00 0.00 O ATOM 920 CB LYS A 57 -1.677 -1.872 -7.766 1.00 0.00 C ATOM 921 CG LYS A 57 -0.296 -1.445 -8.235 1.00 0.00 C ATOM 922 CD LYS A 57 0.237 -2.371 -9.317 1.00 0.00 C ATOM 923 CE LYS A 57 1.610 -1.931 -9.799 1.00 0.00 C ATOM 924 NZ LYS A 57 1.581 -0.563 -10.385 1.00 0.00 N ATOM 0 H LYS A 57 -1.071 -1.593 -5.094 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.512 -0.012 -7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.622 -2.892 -7.385 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.353 -1.887 -8.621 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.340 -0.425 -8.617 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.391 -1.439 -7.389 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.295 -3.389 -8.931 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.457 -2.388 -10.157 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.312 -1.954 -8.965 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.977 -2.637 -10.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.462 -0.391 -10.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.771 -0.480 -11.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.489 0.139 -9.623 1.00 0.00 H new ATOM 938 N TYR A 58 -4.359 -0.778 -5.537 1.00 0.00 N ATOM 939 CA TYR A 58 -5.611 -1.231 -4.949 1.00 0.00 C ATOM 940 C TYR A 58 -6.525 -1.775 -6.045 1.00 0.00 C ATOM 941 O TYR A 58 -6.884 -1.055 -6.975 1.00 0.00 O ATOM 942 CB TYR A 58 -6.288 -0.070 -4.199 1.00 0.00 C ATOM 943 CG TYR A 58 -7.496 -0.457 -3.370 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.514 -1.251 -3.897 1.00 0.00 C ATOM 945 CD2 TYR A 58 -7.627 -0.013 -2.055 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.618 -1.593 -3.145 1.00 0.00 C ATOM 947 CE2 TYR A 58 -8.735 -0.351 -1.302 1.00 0.00 C ATOM 948 CZ TYR A 58 -9.725 -1.141 -1.850 1.00 0.00 C ATOM 949 OH TYR A 58 -10.825 -1.475 -1.097 1.00 0.00 O ATOM 0 H TYR A 58 -4.196 0.225 -5.454 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.410 -2.030 -4.235 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.552 0.397 -3.544 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.592 0.683 -4.926 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.436 -1.605 -4.914 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.853 0.602 -1.620 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.394 -2.212 -3.570 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.826 0.003 -0.286 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.744 -1.076 -0.205 1.00 0.00 H new ATOM 959 N THR A 59 -6.887 -3.052 -5.934 1.00 0.00 N ATOM 960 CA THR A 59 -7.764 -3.690 -6.914 1.00 0.00 C ATOM 961 C THR A 59 -9.198 -3.763 -6.387 1.00 0.00 C ATOM 962 O THR A 59 -9.523 -4.631 -5.578 1.00 0.00 O ATOM 963 CB THR A 59 -7.272 -5.108 -7.273 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.886 -5.066 -7.638 1.00 0.00 O ATOM 965 CG2 THR A 59 -8.081 -5.681 -8.424 1.00 0.00 C ATOM 0 H THR A 59 -6.587 -3.665 -5.176 1.00 0.00 H new ATOM 0 HA THR A 59 -7.742 -3.079 -7.816 1.00 0.00 H new ATOM 0 HB THR A 59 -7.401 -5.747 -6.400 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.579 -5.969 -7.863 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.718 -6.681 -8.661 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.132 -5.734 -8.139 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.974 -5.039 -9.299 1.00 0.00 H new ATOM 973 N PRO A 60 -10.073 -2.843 -6.837 1.00 0.00 N ATOM 974 CA PRO A 60 -11.459 -2.766 -6.407 1.00 0.00 C ATOM 975 C PRO A 60 -12.448 -3.329 -7.420 1.00 0.00 C ATOM 976 O PRO A 60 -13.649 -3.395 -7.159 1.00 0.00 O ATOM 977 CB PRO A 60 -11.632 -1.258 -6.300 1.00 0.00 C ATOM 978 CG PRO A 60 -10.816 -0.713 -7.438 1.00 0.00 C ATOM 979 CD PRO A 60 -9.788 -1.767 -7.792 1.00 0.00 C ATOM 0 HA PRO A 60 -11.653 -3.343 -5.503 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.680 -0.970 -6.387 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.277 -0.883 -5.340 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -11.451 -0.491 -8.296 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.329 0.219 -7.151 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.895 -2.104 -8.823 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.771 -1.391 -7.684 1.00 0.00 H new ATOM 1135 N ILE A 73 -7.849 -6.928 -3.317 1.00 0.00 N ATOM 1136 CA ILE A 73 -6.521 -7.524 -3.266 1.00 0.00 C ATOM 1137 C ILE A 73 -5.508 -6.625 -2.581 1.00 0.00 C ATOM 1138 O ILE A 73 -4.514 -7.099 -2.040 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.027 -7.879 -4.683 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -6.031 -9.387 -4.858 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -4.638 -7.316 -4.953 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -5.021 -10.098 -3.972 1.00 0.00 C ATOM 0 HA ILE A 73 -6.611 -8.434 -2.673 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.706 -7.425 -5.405 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.028 -9.769 -4.639 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.821 -9.625 -5.901 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.325 -7.587 -5.961 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.661 -6.230 -4.860 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.932 -7.727 -4.231 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.076 -11.172 -4.147 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.017 -9.743 -4.207 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.244 -9.889 -2.926 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.774 -5.338 -2.611 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.890 -4.348 -2.008 1.00 0.00 C ATOM 1156 C TYR A 74 -3.425 -4.672 -2.295 1.00 0.00 C ATOM 1157 O TYR A 74 -2.772 -5.350 -1.502 1.00 0.00 O ATOM 1158 CB TYR A 74 -5.109 -4.295 -0.497 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.563 -4.329 -0.079 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -7.326 -3.172 -0.057 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -7.168 -5.519 0.313 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -8.647 -3.196 0.346 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.490 -5.548 0.711 1.00 0.00 C ATOM 1164 CZ TYR A 74 -9.224 -4.385 0.726 1.00 0.00 C ATOM 1165 OH TYR A 74 -10.539 -4.410 1.127 1.00 0.00 O ATOM 0 H TYR A 74 -6.605 -4.942 -3.051 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.127 -3.379 -2.447 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.590 -5.136 -0.036 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.652 -3.386 -0.107 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.880 -2.236 -0.360 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.595 -6.434 0.306 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.225 -2.284 0.363 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.946 -6.481 1.009 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.035 -3.702 0.666 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.915 -4.199 -3.430 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.530 -4.443 -3.796 1.00 0.00 C ATOM 1177 C VAL A 75 -0.633 -3.361 -3.225 1.00 0.00 C ATOM 1178 O VAL A 75 -0.922 -2.172 -3.341 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.329 -4.485 -5.326 1.00 0.00 C ATOM 1180 CG1 VAL A 75 0.148 -4.618 -5.671 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -2.127 -5.617 -5.949 1.00 0.00 C ATOM 0 H VAL A 75 -3.441 -3.647 -4.107 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.266 -5.416 -3.382 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.696 -3.545 -5.739 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.268 -4.646 -6.754 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.694 -3.765 -5.267 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.541 -5.538 -5.239 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.968 -5.624 -7.027 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.800 -6.568 -5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.187 -5.473 -5.740 1.00 0.00 H new ATOM 1191 N VAL A 76 0.446 -3.781 -2.595 1.00 0.00 N ATOM 1192 CA VAL A 76 1.399 -2.843 -2.016 1.00 0.00 C ATOM 1193 C VAL A 76 2.839 -3.269 -2.287 1.00 0.00 C ATOM 1194 O VAL A 76 3.385 -4.119 -1.584 1.00 0.00 O ATOM 1195 CB VAL A 76 1.202 -2.692 -0.495 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.118 -1.610 0.054 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.253 -2.387 -0.165 1.00 0.00 C ATOM 0 H VAL A 76 0.688 -4.764 -2.469 1.00 0.00 H new ATOM 0 HA VAL A 76 1.211 -1.883 -2.496 1.00 0.00 H new ATOM 0 HB VAL A 76 1.463 -3.637 -0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.966 -1.516 1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.156 -1.877 -0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.889 -0.660 -0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.368 -2.285 0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.549 -1.457 -0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.885 -3.200 -0.522 1.00 0.00 H new ATOM 1207 N LEU A 77 3.445 -2.682 -3.319 1.00 0.00 N ATOM 1208 CA LEU A 77 4.832 -2.981 -3.667 1.00 0.00 C ATOM 1209 C LEU A 77 5.757 -1.998 -2.978 1.00 0.00 C ATOM 1210 O LEU A 77 5.897 -0.859 -3.415 1.00 0.00 O ATOM 1211 CB LEU A 77 5.049 -2.910 -5.180 1.00 0.00 C ATOM 1212 CG LEU A 77 4.389 -4.032 -5.983 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.603 -3.819 -7.474 1.00 0.00 C ATOM 1214 CD2 LEU A 77 4.932 -5.385 -5.552 1.00 0.00 C ATOM 0 H LEU A 77 2.997 -1.997 -3.928 1.00 0.00 H new ATOM 0 HA LEU A 77 5.054 -3.995 -3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.670 -1.954 -5.541 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.121 -2.924 -5.379 1.00 0.00 H new ATOM 0 HG LEU A 77 3.317 -4.013 -5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.126 -4.627 -8.029 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.165 -2.866 -7.772 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.671 -3.811 -7.691 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.452 -6.172 -6.133 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.009 -5.415 -5.720 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.726 -5.539 -4.493 1.00 0.00 H new ATOM 1226 N VAL A 78 6.396 -2.436 -1.908 1.00 0.00 N ATOM 1227 CA VAL A 78 7.286 -1.557 -1.167 1.00 0.00 C ATOM 1228 C VAL A 78 8.731 -1.720 -1.623 1.00 0.00 C ATOM 1229 O VAL A 78 9.367 -2.742 -1.366 1.00 0.00 O ATOM 1230 CB VAL A 78 7.190 -1.799 0.349 1.00 0.00 C ATOM 1231 CG1 VAL A 78 7.018 -0.474 1.081 1.00 0.00 C ATOM 1232 CG2 VAL A 78 6.044 -2.745 0.677 1.00 0.00 C ATOM 0 H VAL A 78 6.318 -3.382 -1.535 1.00 0.00 H new ATOM 0 HA VAL A 78 6.965 -0.536 -1.375 1.00 0.00 H new ATOM 0 HB VAL A 78 8.116 -2.266 0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.951 -0.657 2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.874 0.169 0.875 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.106 0.015 0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.997 -2.900 1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.105 -2.313 0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.208 -3.701 0.180 1.00 0.00 H new ATOM 1242 N LYS A 79 9.238 -0.699 -2.312 1.00 0.00 N ATOM 1243 CA LYS A 79 10.607 -0.709 -2.816 1.00 0.00 C ATOM 1244 C LYS A 79 11.460 0.345 -2.111 1.00 0.00 C ATOM 1245 O LYS A 79 11.500 1.499 -2.533 1.00 0.00 O ATOM 1246 CB LYS A 79 10.616 -0.454 -4.324 1.00 0.00 C ATOM 1247 CG LYS A 79 10.414 -1.709 -5.155 1.00 0.00 C ATOM 1248 CD LYS A 79 10.542 -1.419 -6.643 1.00 0.00 C ATOM 1249 CE LYS A 79 9.432 -0.505 -7.137 1.00 0.00 C ATOM 1250 NZ LYS A 79 9.549 -0.224 -8.594 1.00 0.00 N ATOM 0 H LYS A 79 8.717 0.149 -2.534 1.00 0.00 H new ATOM 0 HA LYS A 79 11.033 -1.691 -2.612 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.832 0.263 -4.567 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.565 0.006 -4.600 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.148 -2.461 -4.865 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.430 -2.129 -4.948 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.509 -0.957 -6.841 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.516 -2.356 -7.200 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.465 -0.965 -6.933 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.461 0.433 -6.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.773 0.402 -8.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.460 0.239 -8.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.495 -1.117 -9.125 1.00 0.00 H new ATOM 1264 N PRO A 80 12.155 -0.036 -1.024 1.00 0.00 N ATOM 1265 CA PRO A 80 13.005 0.885 -0.267 1.00 0.00 C ATOM 1266 C PRO A 80 13.913 1.717 -1.165 1.00 0.00 C ATOM 1267 O PRO A 80 14.927 1.233 -1.666 1.00 0.00 O ATOM 1268 CB PRO A 80 13.837 -0.030 0.643 1.00 0.00 C ATOM 1269 CG PRO A 80 13.498 -1.433 0.247 1.00 0.00 C ATOM 1270 CD PRO A 80 12.168 -1.381 -0.442 1.00 0.00 C ATOM 0 HA PRO A 80 12.408 1.613 0.283 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.903 0.163 0.519 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.601 0.146 1.692 1.00 0.00 H new ATOM 0 HG2 PRO A 80 14.261 -1.842 -0.416 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.455 -2.082 1.122 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.078 -2.153 -1.206 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.345 -1.527 0.257 1.00 0.00 H new ATOM 1278 N ARG A 81 13.534 2.975 -1.363 1.00 0.00 N ATOM 1279 CA ARG A 81 14.307 3.890 -2.194 1.00 0.00 C ATOM 1280 C ARG A 81 15.659 4.187 -1.558 1.00 0.00 C ATOM 1281 O ARG A 81 16.657 4.382 -2.254 1.00 0.00 O ATOM 1282 CB ARG A 81 13.542 5.197 -2.402 1.00 0.00 C ATOM 1283 CG ARG A 81 12.912 5.328 -3.775 1.00 0.00 C ATOM 1284 CD ARG A 81 11.946 6.498 -3.825 1.00 0.00 C ATOM 1285 NE ARG A 81 11.498 6.782 -5.185 1.00 0.00 N ATOM 1286 CZ ARG A 81 10.800 7.862 -5.522 1.00 0.00 C ATOM 1287 NH1 ARG A 81 10.472 8.759 -4.601 1.00 0.00 N ATOM 1288 NH2 ARG A 81 10.428 8.047 -6.782 1.00 0.00 N ATOM 0 H ARG A 81 12.693 3.385 -0.957 1.00 0.00 H new ATOM 0 HA ARG A 81 14.469 3.411 -3.160 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.761 5.274 -1.646 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.222 6.034 -2.244 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.692 5.464 -4.525 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.386 4.407 -4.026 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.082 6.281 -3.197 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.428 7.383 -3.410 1.00 0.00 H new ATOM 0 HE ARG A 81 11.734 6.114 -5.919 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.756 8.621 -3.631 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.936 9.587 -4.863 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.678 7.360 -7.494 1.00 0.00 H new ATOM 0 HH22 ARG A 81 9.892 8.876 -7.039 1.00 0.00 H new ATOM 1302 N LYS A 82 15.682 4.218 -0.230 1.00 0.00 N ATOM 1303 CA LYS A 82 16.904 4.499 0.513 1.00 0.00 C ATOM 1304 C LYS A 82 17.274 3.321 1.408 1.00 0.00 C ATOM 1305 O LYS A 82 16.618 2.279 1.382 1.00 0.00 O ATOM 1306 CB LYS A 82 16.724 5.761 1.361 1.00 0.00 C ATOM 1307 CG LYS A 82 16.109 6.924 0.600 1.00 0.00 C ATOM 1308 CD LYS A 82 15.985 8.161 1.473 1.00 0.00 C ATOM 1309 CE LYS A 82 15.311 9.304 0.730 1.00 0.00 C ATOM 1310 NZ LYS A 82 16.078 9.706 -0.483 1.00 0.00 N ATOM 0 H LYS A 82 14.864 4.051 0.356 1.00 0.00 H new ATOM 0 HA LYS A 82 17.712 4.659 -0.201 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.094 5.525 2.219 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.694 6.067 1.753 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.721 7.153 -0.272 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.124 6.638 0.231 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.412 7.920 2.368 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.975 8.475 1.804 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.304 9.005 0.440 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.210 10.161 1.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.706 10.607 -0.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.082 9.820 -0.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.982 8.972 -1.214 1.00 0.00 H new ATOM 1324 N ARG A 83 18.328 3.493 2.198 1.00 0.00 N ATOM 1325 CA ARG A 83 18.783 2.446 3.106 1.00 0.00 C ATOM 1326 C ARG A 83 18.816 2.955 4.543 1.00 0.00 C ATOM 1327 O ARG A 83 19.140 4.117 4.792 1.00 0.00 O ATOM 1328 CB ARG A 83 20.171 1.959 2.696 1.00 0.00 C ATOM 1329 CG ARG A 83 20.276 1.597 1.224 1.00 0.00 C ATOM 1330 CD ARG A 83 21.724 1.437 0.794 1.00 0.00 C ATOM 1331 NE ARG A 83 21.842 1.111 -0.624 1.00 0.00 N ATOM 1332 CZ ARG A 83 22.944 1.315 -1.339 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.020 1.843 -0.771 1.00 0.00 N ATOM 1334 NH2 ARG A 83 22.972 0.989 -2.624 1.00 0.00 N ATOM 0 H ARG A 83 18.884 4.348 2.228 1.00 0.00 H new ATOM 0 HA ARG A 83 18.081 1.614 3.048 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.902 2.735 2.924 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.434 1.088 3.296 1.00 0.00 H new ATOM 0 HG2 ARG A 83 19.735 0.670 1.036 1.00 0.00 H new ATOM 0 HG3 ARG A 83 19.800 2.371 0.623 1.00 0.00 H new ATOM 0 HD2 ARG A 83 22.267 2.359 1.000 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.193 0.652 1.387 1.00 0.00 H new ATOM 0 HE ARG A 83 21.033 0.704 -1.093 1.00 0.00 H new ATOM 0 HH11 ARG A 83 24.004 2.094 0.218 1.00 0.00 H new ATOM 0 HH12 ARG A 83 24.864 1.998 -1.323 1.00 0.00 H new ATOM 0 HH21 ARG A 83 22.147 0.581 -3.065 1.00 0.00 H new ATOM 0 HH22 ARG A 83 23.818 1.146 -3.172 1.00 0.00 H new ATOM 1348 N GLY A 84 18.479 2.081 5.484 1.00 0.00 N ATOM 1349 CA GLY A 84 18.479 2.463 6.885 1.00 0.00 C ATOM 1350 C GLY A 84 17.273 1.932 7.633 1.00 0.00 C ATOM 1351 O GLY A 84 17.094 0.719 7.752 1.00 0.00 O ATOM 0 H GLY A 84 18.206 1.115 5.303 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.388 2.093 7.359 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.500 3.550 6.962 1.00 0.00 H new ATOM 1355 N HIS A 85 16.444 2.840 8.139 1.00 0.00 N ATOM 1356 CA HIS A 85 15.250 2.453 8.881 1.00 0.00 C ATOM 1357 C HIS A 85 13.985 2.828 8.119 1.00 0.00 C ATOM 1358 O HIS A 85 13.499 3.956 8.215 1.00 0.00 O ATOM 1359 CB HIS A 85 15.240 3.115 10.259 1.00 0.00 C ATOM 1360 CG HIS A 85 16.427 2.765 11.102 1.00 0.00 C ATOM 1361 ND1 HIS A 85 17.548 3.562 11.192 1.00 0.00 N ATOM 1362 CD2 HIS A 85 16.663 1.696 11.900 1.00 0.00 C ATOM 1363 CE1 HIS A 85 18.423 3.000 12.007 1.00 0.00 C ATOM 1364 NE2 HIS A 85 17.909 1.867 12.451 1.00 0.00 N ATOM 0 H HIS A 85 16.577 3.847 8.049 1.00 0.00 H new ATOM 0 HA HIS A 85 15.271 1.370 9.004 1.00 0.00 H new ATOM 0 HB2 HIS A 85 15.201 4.197 10.133 1.00 0.00 H new ATOM 0 HB3 HIS A 85 14.332 2.823 10.786 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.996 0.864 12.071 1.00 0.00 H new ATOM 0 HE1 HIS A 85 19.393 3.399 12.266 1.00 0.00 H new ATOM 0 HE2 HIS A 85 18.364 1.223 13.098 1.00 0.00 H new ATOM 1373 N HIS A 86 13.459 1.876 7.355 1.00 0.00 N ATOM 1374 CA HIS A 86 12.245 2.096 6.578 1.00 0.00 C ATOM 1375 C HIS A 86 11.104 1.249 7.124 1.00 0.00 C ATOM 1376 O HIS A 86 11.336 0.276 7.842 1.00 0.00 O ATOM 1377 CB HIS A 86 12.481 1.759 5.105 1.00 0.00 C ATOM 1378 CG HIS A 86 13.525 2.608 4.448 1.00 0.00 C ATOM 1379 ND1 HIS A 86 14.370 3.444 5.147 1.00 0.00 N ATOM 1380 CD2 HIS A 86 13.853 2.752 3.143 1.00 0.00 C ATOM 1381 CE1 HIS A 86 15.170 4.065 4.301 1.00 0.00 C ATOM 1382 NE2 HIS A 86 14.878 3.662 3.079 1.00 0.00 N ATOM 0 H HIS A 86 13.856 0.942 7.257 1.00 0.00 H new ATOM 0 HA HIS A 86 11.976 3.149 6.659 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.774 0.712 5.024 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.542 1.870 4.562 1.00 0.00 H new ATOM 0 HD1 HIS A 86 14.376 3.564 6.160 1.00 0.00 H new ATOM 0 HD2 HIS A 86 13.394 2.245 2.307 1.00 0.00 H new ATOM 0 HE1 HIS A 86 15.934 4.781 4.564 1.00 0.00 H new ATOM 1391 N THR A 87 9.871 1.615 6.783 1.00 0.00 N ATOM 1392 CA THR A 87 8.709 0.875 7.253 1.00 0.00 C ATOM 1393 C THR A 87 7.484 1.121 6.378 1.00 0.00 C ATOM 1394 O THR A 87 7.234 2.243 5.938 1.00 0.00 O ATOM 1395 CB THR A 87 8.358 1.246 8.703 1.00 0.00 C ATOM 1396 OG1 THR A 87 9.448 0.921 9.574 1.00 0.00 O ATOM 1397 CG2 THR A 87 7.105 0.513 9.154 1.00 0.00 C ATOM 0 H THR A 87 9.654 2.414 6.187 1.00 0.00 H new ATOM 0 HA THR A 87 8.979 -0.180 7.199 1.00 0.00 H new ATOM 0 HB THR A 87 8.172 2.319 8.747 1.00 0.00 H new ATOM 0 HG1 THR A 87 9.228 0.116 10.087 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.873 0.789 10.183 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.271 0.787 8.508 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.272 -0.563 9.095 1.00 0.00 H new ATOM 1405 N LEU A 88 6.723 0.058 6.140 1.00 0.00 N ATOM 1406 CA LEU A 88 5.514 0.139 5.337 1.00 0.00 C ATOM 1407 C LEU A 88 4.301 -0.108 6.219 1.00 0.00 C ATOM 1408 O LEU A 88 3.783 -1.220 6.289 1.00 0.00 O ATOM 1409 CB LEU A 88 5.566 -0.881 4.190 1.00 0.00 C ATOM 1410 CG LEU A 88 4.385 -0.863 3.202 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.370 -1.934 3.563 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.726 0.504 3.152 1.00 0.00 C ATOM 0 H LEU A 88 6.927 -0.876 6.496 1.00 0.00 H new ATOM 0 HA LEU A 88 5.438 1.135 4.901 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.485 -0.715 3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.633 -1.879 4.623 1.00 0.00 H new ATOM 0 HG LEU A 88 4.778 -1.078 2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.543 -1.905 2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.846 -2.914 3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.991 -1.752 4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.896 0.482 2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.352 0.764 4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.456 1.248 2.832 1.00 0.00 H new ATOM 1424 N GLU A 89 3.864 0.932 6.912 1.00 0.00 N ATOM 1425 CA GLU A 89 2.721 0.822 7.800 1.00 0.00 C ATOM 1426 C GLU A 89 1.415 0.897 7.025 1.00 0.00 C ATOM 1427 O GLU A 89 1.193 1.816 6.235 1.00 0.00 O ATOM 1428 CB GLU A 89 2.765 1.916 8.861 1.00 0.00 C ATOM 1429 CG GLU A 89 2.703 3.303 8.272 1.00 0.00 C ATOM 1430 CD GLU A 89 2.972 4.391 9.293 1.00 0.00 C ATOM 1431 OE1 GLU A 89 2.073 4.672 10.113 1.00 0.00 O ATOM 1432 OE2 GLU A 89 4.083 4.961 9.273 1.00 0.00 O ATOM 0 H GLU A 89 4.284 1.861 6.876 1.00 0.00 H new ATOM 0 HA GLU A 89 2.770 -0.150 8.291 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.931 1.781 9.550 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.680 1.814 9.444 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.431 3.382 7.464 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.719 3.461 7.831 1.00 0.00 H new ATOM 1439 N LEU A 90 0.559 -0.082 7.258 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.739 -0.146 6.603 1.00 0.00 C ATOM 1441 C LEU A 90 -1.844 -0.184 7.646 1.00 0.00 C ATOM 1442 O LEU A 90 -1.597 -0.491 8.814 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.838 -1.371 5.690 1.00 0.00 C ATOM 1444 CG LEU A 90 0.268 -1.499 4.639 1.00 0.00 C ATOM 1445 CD1 LEU A 90 -0.018 -2.670 3.711 1.00 0.00 C ATOM 1446 CD2 LEU A 90 0.418 -0.211 3.840 1.00 0.00 C ATOM 0 H LEU A 90 0.741 -0.852 7.902 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.853 0.746 5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.831 -2.267 6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.800 -1.345 5.179 1.00 0.00 H new ATOM 0 HG LEU A 90 1.208 -1.684 5.158 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.777 -2.749 2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.065 -3.591 4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.971 -2.510 3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.210 -0.331 3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.520 0.014 3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.671 0.608 4.514 1.00 0.00 H new ATOM 1458 N VAL A 91 -3.063 0.115 7.222 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.192 0.131 8.135 1.00 0.00 C ATOM 1460 C VAL A 91 -5.515 -0.086 7.398 1.00 0.00 C ATOM 1461 O VAL A 91 -5.649 0.258 6.217 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.252 1.475 8.890 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.251 2.635 7.904 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -5.466 1.536 9.805 1.00 0.00 C ATOM 0 H VAL A 91 -3.293 0.348 6.256 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.048 -0.686 8.842 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.364 1.556 9.517 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.294 3.577 8.451 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.340 2.603 7.306 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.118 2.556 7.249 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.482 2.494 10.324 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.374 1.429 9.212 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.412 0.729 10.535 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.480 -0.676 8.105 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.809 -0.919 7.558 1.00 0.00 C ATOM 1476 C TYR A 92 -8.714 0.249 7.935 1.00 0.00 C ATOM 1477 O TYR A 92 -9.412 0.204 8.947 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.372 -2.234 8.105 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.489 -2.834 7.276 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.391 -2.917 5.892 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.637 -3.329 7.882 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.404 -3.475 5.137 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.654 -3.891 7.133 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.533 -3.961 5.761 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.544 -4.519 5.012 1.00 0.00 O ATOM 0 H TYR A 92 -6.361 -0.996 9.066 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.754 -1.001 6.472 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.561 -2.959 8.178 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.739 -2.064 9.117 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.508 -2.539 5.399 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.737 -3.274 8.956 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.312 -3.530 4.062 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.539 -4.273 7.620 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.266 -4.813 5.605 1.00 0.00 H new ATOM 1495 N THR A 93 -8.687 1.298 7.118 1.00 0.00 N ATOM 1496 CA THR A 93 -9.463 2.507 7.389 1.00 0.00 C ATOM 1497 C THR A 93 -10.490 2.811 6.309 1.00 0.00 C ATOM 1498 O THR A 93 -10.392 2.321 5.193 1.00 0.00 O ATOM 1499 CB THR A 93 -8.528 3.716 7.489 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.295 4.916 7.628 1.00 0.00 O ATOM 1501 CG2 THR A 93 -7.652 3.805 6.247 1.00 0.00 C ATOM 0 H THR A 93 -8.135 1.336 6.261 1.00 0.00 H new ATOM 0 HA THR A 93 -9.989 2.324 8.326 1.00 0.00 H new ATOM 0 HB THR A 93 -7.890 3.596 8.365 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.518 5.267 6.740 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.991 4.668 6.329 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.054 2.898 6.157 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.282 3.913 5.364 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.464 3.649 6.654 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.502 4.054 5.713 1.00 0.00 C ATOM 1511 C ARG A 94 -12.173 5.424 5.123 1.00 0.00 C ATOM 1512 O ARG A 94 -12.419 6.446 5.756 1.00 0.00 O ATOM 1513 CB ARG A 94 -13.866 4.114 6.404 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.428 2.753 6.773 1.00 0.00 C ATOM 1515 CD ARG A 94 -15.831 2.866 7.348 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.767 3.454 6.394 1.00 0.00 N ATOM 1517 CZ ARG A 94 -18.070 3.586 6.626 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.588 3.173 7.776 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -18.856 4.130 5.708 1.00 0.00 N ATOM 0 H ARG A 94 -11.555 4.062 7.582 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.542 3.314 4.914 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.779 4.717 7.308 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.573 4.623 5.748 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.446 2.114 5.890 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.773 2.273 7.500 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.184 1.877 7.640 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.804 3.474 8.252 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.401 3.782 5.500 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.986 2.753 8.485 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.588 3.276 7.951 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.462 4.448 4.823 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.855 4.231 5.887 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.583 5.463 3.913 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.226 6.720 3.243 1.00 0.00 C ATOM 1535 C PRO A 95 -12.356 7.748 3.241 1.00 0.00 C ATOM 1536 O PRO A 95 -12.107 8.953 3.293 1.00 0.00 O ATOM 1537 CB PRO A 95 -10.916 6.271 1.815 1.00 0.00 C ATOM 1538 CG PRO A 95 -10.424 4.872 1.963 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.189 4.284 3.115 1.00 0.00 C ATOM 0 HA PRO A 95 -10.402 7.223 3.749 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.803 6.315 1.183 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.164 6.910 1.352 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.593 4.300 1.050 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.352 4.854 2.157 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.059 3.723 2.773 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.574 3.596 3.695 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.595 7.270 3.181 1.00 0.00 N ATOM 1548 CA PHE A 96 -14.753 8.143 3.154 1.00 0.00 C ATOM 1549 C PHE A 96 -15.258 8.479 4.558 1.00 0.00 C ATOM 1550 O PHE A 96 -16.345 9.036 4.711 1.00 0.00 O ATOM 1551 CB PHE A 96 -15.858 7.464 2.354 1.00 0.00 C ATOM 1552 CG PHE A 96 -15.538 7.311 0.895 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -14.743 6.266 0.453 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -16.029 8.214 -0.035 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -14.445 6.121 -0.888 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -15.734 8.075 -1.378 1.00 0.00 C ATOM 1557 CZ PHE A 96 -14.942 7.027 -1.806 1.00 0.00 C ATOM 0 H PHE A 96 -13.819 6.275 3.150 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.461 9.083 2.686 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.051 6.479 2.780 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.777 8.041 2.457 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.351 5.556 1.166 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -16.649 9.035 0.293 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -13.825 5.301 -1.219 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -16.122 8.785 -2.093 1.00 0.00 H new ATOM 0 HZ PHE A 96 -14.712 6.916 -2.855 1.00 0.00 H new ATOM 1567 N GLU A 97 -14.467 8.151 5.577 1.00 0.00 N ATOM 1568 CA GLU A 97 -14.855 8.417 6.962 1.00 0.00 C ATOM 1569 C GLU A 97 -13.639 8.632 7.862 1.00 0.00 C ATOM 1570 O GLU A 97 -13.783 8.843 9.067 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.692 7.259 7.510 1.00 0.00 C ATOM 1572 CG GLU A 97 -17.102 7.197 6.945 1.00 0.00 C ATOM 1573 CD GLU A 97 -17.968 8.351 7.412 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -18.612 8.218 8.474 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -18.002 9.388 6.717 1.00 0.00 O ATOM 0 H GLU A 97 -13.557 7.702 5.472 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.445 9.333 6.962 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -15.182 6.320 7.292 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -15.749 7.347 8.595 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -17.054 7.201 5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.567 6.256 7.240 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.445 8.579 7.282 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.236 8.763 8.067 1.00 0.00 C ATOM 1584 C GLY A 98 -10.768 7.477 8.710 1.00 0.00 C ATOM 1585 O GLY A 98 -11.349 6.415 8.486 1.00 0.00 O ATOM 0 H GLY A 98 -12.292 8.413 6.287 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.446 9.155 7.427 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.418 9.508 8.841 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.716 7.573 9.513 1.00 0.00 N ATOM 1590 CA ILE A 99 -9.157 6.409 10.180 1.00 0.00 C ATOM 1591 C ILE A 99 -9.532 6.365 11.657 1.00 0.00 C ATOM 1592 O ILE A 99 -9.801 7.397 12.274 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.626 6.392 10.048 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -7.218 6.828 8.636 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -7.088 5.004 10.366 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -5.738 7.109 8.492 1.00 0.00 C ATOM 0 H ILE A 99 -9.233 8.448 9.717 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.579 5.531 9.691 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.197 7.095 10.762 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.502 6.049 7.928 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.777 7.724 8.366 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -6.002 5.004 10.269 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.362 4.733 11.386 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.514 4.281 9.671 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.523 7.412 7.467 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.451 7.909 9.175 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.172 6.209 8.730 1.00 0.00 H new ATOM 1608 N LYS A 100 -9.545 5.158 12.216 1.00 0.00 N ATOM 1609 CA LYS A 100 -9.889 4.959 13.619 1.00 0.00 C ATOM 1610 C LYS A 100 -8.867 4.045 14.297 1.00 0.00 C ATOM 1611 O LYS A 100 -8.042 3.424 13.628 1.00 0.00 O ATOM 1612 CB LYS A 100 -11.293 4.364 13.736 1.00 0.00 C ATOM 1613 CG LYS A 100 -12.269 4.899 12.703 1.00 0.00 C ATOM 1614 CD LYS A 100 -12.629 6.350 12.975 1.00 0.00 C ATOM 1615 CE LYS A 100 -14.134 6.551 13.016 1.00 0.00 C ATOM 1616 NZ LYS A 100 -14.499 7.966 13.296 1.00 0.00 N ATOM 0 H LYS A 100 -9.320 4.299 11.714 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.873 5.926 14.122 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -11.229 3.281 13.636 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -11.683 4.569 14.733 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.832 4.812 11.708 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -13.174 4.292 12.707 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -12.193 6.663 13.924 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -12.197 6.985 12.201 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -14.567 6.247 12.063 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -14.565 5.907 13.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -15.535 8.060 13.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -14.108 8.250 14.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -14.110 8.579 12.551 1.00 0.00 H new ATOM 1630 N PRO A 101 -8.913 3.953 15.637 1.00 0.00 N ATOM 1631 CA PRO A 101 -7.989 3.125 16.419 1.00 0.00 C ATOM 1632 C PRO A 101 -8.303 1.635 16.317 1.00 0.00 C ATOM 1633 O PRO A 101 -7.419 0.821 16.052 1.00 0.00 O ATOM 1634 CB PRO A 101 -8.194 3.617 17.862 1.00 0.00 C ATOM 1635 CG PRO A 101 -9.051 4.840 17.752 1.00 0.00 C ATOM 1636 CD PRO A 101 -9.860 4.650 16.509 1.00 0.00 C ATOM 0 HA PRO A 101 -6.964 3.222 16.061 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.677 2.853 18.472 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.240 3.848 18.337 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.694 4.949 18.626 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.442 5.742 17.690 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.758 4.059 16.692 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.184 5.600 16.084 1.00 0.00 H new ATOM 1644 N GLU A 102 -9.567 1.287 16.533 1.00 0.00 N ATOM 1645 CA GLU A 102 -10.006 -0.106 16.474 1.00 0.00 C ATOM 1646 C GLU A 102 -9.731 -0.725 15.106 1.00 0.00 C ATOM 1647 O GLU A 102 -9.804 -1.943 14.941 1.00 0.00 O ATOM 1648 CB GLU A 102 -11.492 -0.201 16.797 1.00 0.00 C ATOM 1649 CG GLU A 102 -12.336 0.699 15.924 1.00 0.00 C ATOM 1650 CD GLU A 102 -13.816 0.604 16.238 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -14.500 -0.244 15.627 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -14.292 1.378 17.096 1.00 0.00 O ATOM 0 H GLU A 102 -10.309 1.952 16.751 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.436 -0.665 17.216 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.821 -1.233 16.674 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.650 0.062 17.843 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -12.008 1.731 16.050 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -12.174 0.439 14.878 1.00 0.00 H new ATOM 1659 N ASN A 103 -9.419 0.119 14.130 1.00 0.00 N ATOM 1660 CA ASN A 103 -9.138 -0.343 12.774 1.00 0.00 C ATOM 1661 C ASN A 103 -7.952 -1.303 12.747 1.00 0.00 C ATOM 1662 O ASN A 103 -6.996 -1.145 13.508 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.866 0.852 11.859 1.00 0.00 C ATOM 1664 CG ASN A 103 -10.129 1.617 11.509 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -11.144 1.514 12.358 1.00 0.00 O flip ATOM 1666 ND2 ASN A 103 -10.193 2.289 10.480 1.00 0.00 N flip ATOM 0 H ASN A 103 -9.354 1.130 14.252 1.00 0.00 H new ATOM 0 HA ASN A 103 -10.015 -0.882 12.414 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.161 1.525 12.346 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.391 0.503 10.942 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -9.389 2.341 9.854 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -11.050 2.794 10.253 1.00 0.00 H new ATOM 1673 N GLU A 104 -8.025 -2.299 11.866 1.00 0.00 N ATOM 1674 CA GLU A 104 -6.966 -3.288 11.727 1.00 0.00 C ATOM 1675 C GLU A 104 -5.624 -2.616 11.451 1.00 0.00 C ATOM 1676 O GLU A 104 -5.569 -1.448 11.067 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.312 -4.258 10.599 1.00 0.00 C ATOM 1678 CG GLU A 104 -6.817 -5.672 10.841 1.00 0.00 C ATOM 1679 CD GLU A 104 -7.513 -6.694 9.961 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -8.722 -6.930 10.169 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -6.848 -7.262 9.070 1.00 0.00 O ATOM 0 H GLU A 104 -8.814 -2.440 11.235 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.881 -3.839 12.664 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.394 -4.278 10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.884 -3.887 9.668 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.743 -5.713 10.659 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.973 -5.933 11.888 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.545 -3.367 11.644 1.00 0.00 N ATOM 1689 CA ARG A 105 -3.198 -2.848 11.428 1.00 0.00 C ATOM 1690 C ARG A 105 -2.381 -3.799 10.558 1.00 0.00 C ATOM 1691 O ARG A 105 -2.745 -4.961 10.389 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.497 -2.649 12.779 1.00 0.00 C ATOM 1693 CG ARG A 105 -1.090 -2.077 12.669 1.00 0.00 C ATOM 1694 CD ARG A 105 -1.103 -0.559 12.685 1.00 0.00 C ATOM 1695 NE ARG A 105 0.222 -0.014 12.950 1.00 0.00 N ATOM 1696 CZ ARG A 105 0.505 1.285 12.943 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -0.446 2.172 12.682 1.00 0.00 N ATOM 1698 NH2 ARG A 105 1.739 1.698 13.195 1.00 0.00 N ATOM 0 H ARG A 105 -4.577 -4.339 11.950 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.276 -1.891 10.912 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.101 -1.984 13.396 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.449 -3.607 13.296 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.481 -2.445 13.495 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.624 -2.428 11.748 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -1.465 -0.188 11.726 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.800 -0.209 13.446 1.00 0.00 H new ATOM 0 HE ARG A 105 0.978 -0.668 13.153 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.396 1.858 12.486 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -0.227 3.168 12.677 1.00 0.00 H new ATOM 0 HH21 ARG A 105 2.473 1.019 13.395 1.00 0.00 H new ATOM 0 HH22 ARG A 105 1.954 2.695 13.189 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.302 -3.281 9.977 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.395 -4.076 9.153 1.00 0.00 C ATOM 1714 C TYR A 106 0.834 -3.250 8.802 1.00 0.00 C ATOM 1715 O TYR A 106 0.972 -2.754 7.685 1.00 0.00 O ATOM 1716 CB TYR A 106 -1.092 -4.585 7.891 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.295 -5.628 7.137 1.00 0.00 C ATOM 1718 CD1 TYR A 106 0.610 -5.263 6.149 1.00 0.00 C ATOM 1719 CD2 TYR A 106 -0.452 -6.981 7.415 1.00 0.00 C ATOM 1720 CE1 TYR A 106 1.338 -6.216 5.461 1.00 0.00 C ATOM 1721 CE2 TYR A 106 0.271 -7.938 6.731 1.00 0.00 C ATOM 1722 CZ TYR A 106 1.165 -7.552 5.756 1.00 0.00 C ATOM 1723 OH TYR A 106 1.887 -8.502 5.073 1.00 0.00 O ATOM 0 H TYR A 106 -1.032 -2.301 10.064 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.083 -4.951 9.724 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.059 -5.007 8.165 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.288 -3.741 7.229 1.00 0.00 H new ATOM 0 HD1 TYR A 106 0.747 -4.218 5.914 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -1.151 -7.289 8.179 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.039 -5.916 4.696 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.136 -8.985 6.959 1.00 0.00 H new ATOM 0 HH TYR A 106 1.648 -9.394 5.402 1.00 0.00 H new ATOM 1733 N THR A 107 1.722 -3.101 9.782 1.00 0.00 N ATOM 1734 CA THR A 107 2.935 -2.317 9.606 1.00 0.00 C ATOM 1735 C THR A 107 4.135 -3.196 9.277 1.00 0.00 C ATOM 1736 O THR A 107 4.712 -3.836 10.155 1.00 0.00 O ATOM 1737 CB THR A 107 3.243 -1.492 10.869 1.00 0.00 C ATOM 1738 OG1 THR A 107 2.074 -0.775 11.279 1.00 0.00 O ATOM 1739 CG2 THR A 107 4.374 -0.512 10.613 1.00 0.00 C ATOM 0 H THR A 107 1.621 -3.516 10.708 1.00 0.00 H new ATOM 0 HA THR A 107 2.757 -1.645 8.766 1.00 0.00 H new ATOM 0 HB THR A 107 3.549 -2.178 11.659 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.206 0.183 11.121 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.573 0.059 11.520 1.00 0.00 H new ATOM 0 HG22 THR A 107 5.271 -1.059 10.325 1.00 0.00 H new ATOM 0 HG23 THR A 107 4.091 0.169 9.810 1.00 0.00 H new ATOM 1747 N LEU A 108 4.507 -3.216 8.002 1.00 0.00 N ATOM 1748 CA LEU A 108 5.638 -4.010 7.543 1.00 0.00 C ATOM 1749 C LEU A 108 6.954 -3.267 7.740 1.00 0.00 C ATOM 1750 O LEU A 108 7.404 -2.540 6.857 1.00 0.00 O ATOM 1751 CB LEU A 108 5.470 -4.369 6.067 1.00 0.00 C ATOM 1752 CG LEU A 108 6.667 -5.082 5.430 1.00 0.00 C ATOM 1753 CD1 LEU A 108 7.064 -6.303 6.249 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.352 -5.476 3.998 1.00 0.00 C ATOM 0 H LEU A 108 4.038 -2.688 7.266 1.00 0.00 H new ATOM 0 HA LEU A 108 5.664 -4.922 8.139 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.591 -5.004 5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.272 -3.455 5.507 1.00 0.00 H new ATOM 0 HG LEU A 108 7.510 -4.392 5.418 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.916 -6.795 5.779 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.335 -5.992 7.258 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.225 -6.997 6.297 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.214 -5.981 3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.493 -6.147 3.986 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.123 -4.583 3.417 1.00 0.00 H new ATOM 1766 N HIS A 109 7.572 -3.458 8.898 1.00 0.00 N ATOM 1767 CA HIS A 109 8.842 -2.809 9.191 1.00 0.00 C ATOM 1768 C HIS A 109 9.965 -3.481 8.413 1.00 0.00 C ATOM 1769 O HIS A 109 9.978 -4.701 8.248 1.00 0.00 O ATOM 1770 CB HIS A 109 9.134 -2.839 10.684 1.00 0.00 C ATOM 1771 CG HIS A 109 8.551 -1.684 11.433 1.00 0.00 C ATOM 1772 ND1 HIS A 109 9.295 -0.595 11.837 1.00 0.00 N ATOM 1773 CD2 HIS A 109 7.287 -1.450 11.853 1.00 0.00 C ATOM 1774 CE1 HIS A 109 8.513 0.258 12.474 1.00 0.00 C ATOM 1775 NE2 HIS A 109 7.289 -0.237 12.496 1.00 0.00 N ATOM 0 H HIS A 109 7.217 -4.054 9.646 1.00 0.00 H new ATOM 0 HA HIS A 109 8.776 -1.766 8.882 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.744 -3.767 11.103 1.00 0.00 H new ATOM 0 HB3 HIS A 109 10.214 -2.850 10.834 1.00 0.00 H new ATOM 0 HD2 HIS A 109 6.434 -2.097 11.709 1.00 0.00 H new ATOM 0 HE1 HIS A 109 8.822 1.200 12.903 1.00 0.00 H new ATOM 0 HE2 HIS A 109 6.477 0.209 12.922 1.00 0.00 H new ATOM 1784 N LEU A 110 10.912 -2.675 7.953 1.00 0.00 N ATOM 1785 CA LEU A 110 12.026 -3.174 7.158 1.00 0.00 C ATOM 1786 C LEU A 110 13.306 -2.390 7.420 1.00 0.00 C ATOM 1787 O LEU A 110 13.490 -1.296 6.889 1.00 0.00 O ATOM 1788 CB LEU A 110 11.687 -3.084 5.667 1.00 0.00 C ATOM 1789 CG LEU A 110 10.494 -3.927 5.207 1.00 0.00 C ATOM 1790 CD1 LEU A 110 10.134 -3.593 3.768 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.795 -5.411 5.354 1.00 0.00 C ATOM 0 H LEU A 110 10.931 -1.669 8.118 1.00 0.00 H new ATOM 0 HA LEU A 110 12.191 -4.212 7.448 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.488 -2.041 5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.564 -3.386 5.095 1.00 0.00 H new ATOM 0 HG LEU A 110 9.640 -3.690 5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.284 -4.200 3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.873 -2.537 3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 110 10.987 -3.802 3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.934 -5.991 5.022 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.663 -5.668 4.746 1.00 0.00 H new ATOM 0 HD23 LEU A 110 11.004 -5.638 6.399 1.00 0.00 H new ATOM 1803 N ASN A 111 14.181 -2.946 8.248 1.00 0.00 N ATOM 1804 CA ASN A 111 15.458 -2.311 8.537 1.00 0.00 C ATOM 1805 C ASN A 111 16.385 -2.515 7.346 1.00 0.00 C ATOM 1806 O ASN A 111 17.318 -3.317 7.393 1.00 0.00 O ATOM 1807 CB ASN A 111 16.080 -2.898 9.807 1.00 0.00 C ATOM 1808 CG ASN A 111 17.370 -2.202 10.197 1.00 0.00 C ATOM 1809 OD1 ASN A 111 17.357 -1.201 10.914 1.00 0.00 O ATOM 1810 ND2 ASN A 111 18.493 -2.733 9.729 1.00 0.00 N ATOM 0 H ASN A 111 14.030 -3.832 8.729 1.00 0.00 H new ATOM 0 HA ASN A 111 15.305 -1.245 8.706 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.366 -2.819 10.627 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.275 -3.960 9.655 1.00 0.00 H new ATOM 0 HD21 ASN A 111 19.392 -2.311 9.961 1.00 0.00 H new ATOM 0 HD22 ASN A 111 18.457 -3.563 9.138 1.00 0.00 H new ATOM 1817 N VAL A 112 16.100 -1.786 6.272 1.00 0.00 N ATOM 1818 CA VAL A 112 16.866 -1.887 5.038 1.00 0.00 C ATOM 1819 C VAL A 112 18.367 -1.817 5.298 1.00 0.00 C ATOM 1820 O VAL A 112 18.817 -1.149 6.229 1.00 0.00 O ATOM 1821 CB VAL A 112 16.477 -0.774 4.046 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.887 -1.153 2.635 1.00 0.00 C ATOM 1823 CG2 VAL A 112 14.984 -0.489 4.112 1.00 0.00 C ATOM 0 H VAL A 112 15.335 -1.112 6.234 1.00 0.00 H new ATOM 0 HA VAL A 112 16.628 -2.858 4.604 1.00 0.00 H new ATOM 0 HB VAL A 112 17.008 0.135 4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.605 -0.356 1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 112 17.966 -1.300 2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.385 -2.076 2.346 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.733 0.300 3.403 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.430 -1.393 3.860 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.719 -0.169 5.120 1.00 0.00 H new ATOM 1833 N LYS A 113 19.137 -2.513 4.466 1.00 0.00 N ATOM 1834 CA LYS A 113 20.588 -2.534 4.598 1.00 0.00 C ATOM 1835 C LYS A 113 21.204 -1.256 4.037 1.00 0.00 C ATOM 1836 O LYS A 113 21.473 -1.213 2.819 1.00 0.00 O ATOM 1837 CB LYS A 113 21.166 -3.753 3.875 1.00 0.00 C ATOM 1838 CG LYS A 113 20.745 -5.087 4.476 1.00 0.00 C ATOM 1839 CD LYS A 113 21.442 -5.358 5.802 1.00 0.00 C ATOM 1840 CE LYS A 113 20.621 -4.864 6.983 1.00 0.00 C ATOM 1841 NZ LYS A 113 21.292 -5.147 8.282 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.412 -0.307 4.823 1.00 0.00 O ATOM 0 H LYS A 113 18.777 -3.071 3.692 1.00 0.00 H new ATOM 0 HA LYS A 113 20.832 -2.597 5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 113 20.857 -3.723 2.830 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.254 -3.688 3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.665 -5.093 4.626 1.00 0.00 H new ATOM 0 HG3 LYS A 113 20.974 -5.889 3.775 1.00 0.00 H new ATOM 0 HD2 LYS A 113 21.621 -6.428 5.906 1.00 0.00 H new ATOM 0 HD3 LYS A 113 22.416 -4.869 5.807 1.00 0.00 H new ATOM 0 HE2 LYS A 113 20.455 -3.791 6.886 1.00 0.00 H new ATOM 0 HE3 LYS A 113 19.641 -5.341 6.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 20.701 -4.795 9.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 21.428 -6.173 8.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 22.216 -4.671 8.306 1.00 0.00 H new