USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 536 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 39 TYR OH : rot 30:sc= 0.491 USER MOD Set 1.2: A 72 LYS NZ :NH3+ 180:sc= 0.527 (180deg=0) USER MOD Set 2.1: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 36 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 24 ASN : amide:sc= -2.38 K(o=-4.9,f=-7.7) USER MOD Set 3.2: A 28 ASN : amide:sc= -2.52 K(o=-4.9,f=-6.6!) USER MOD Single : A 16 THR OG1 : rot -143:sc= -1.03 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.484 X(o=-0.48,f=-0.25) USER MOD Single : A 34 HIS : no HD1:sc= -2.2 K(o=-2.2,f=-3.3!) USER MOD Single : A 35 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0158) USER MOD Single : A 37 ASN : amide:sc= -0.0344 X(o=-0.034,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 90:sc= 1.24 USER MOD Single : A 48 LYS NZ :NH3+ -101:sc= -0.137 (180deg=-0.747) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -3.48 K(o=-3.5,f=-4.5!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -150:sc= -0.0351 (180deg=-0.737) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 183 N GLY A 13 -1.787 -3.929 -8.577 1.00 0.00 N ATOM 184 CA GLY A 13 -0.469 -4.628 -8.527 1.00 0.00 C ATOM 185 C GLY A 13 0.686 -3.617 -8.616 1.00 0.00 C ATOM 186 O GLY A 13 1.840 -3.991 -8.525 1.00 0.00 O ATOM 0 HA2 GLY A 13 -0.389 -5.198 -7.602 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.399 -5.341 -9.348 1.00 0.00 H new ATOM 190 N GLY A 14 0.394 -2.346 -8.785 1.00 0.00 N ATOM 191 CA GLY A 14 1.486 -1.332 -8.868 1.00 0.00 C ATOM 192 C GLY A 14 1.770 -0.802 -7.467 1.00 0.00 C ATOM 193 O GLY A 14 2.901 -0.537 -7.104 1.00 0.00 O ATOM 0 H GLY A 14 -0.552 -1.973 -8.868 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.385 -1.779 -9.292 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.194 -0.516 -9.529 1.00 0.00 H new ATOM 197 N ILE A 15 0.739 -0.651 -6.679 1.00 0.00 N ATOM 198 CA ILE A 15 0.915 -0.142 -5.291 1.00 0.00 C ATOM 199 C ILE A 15 1.633 -1.197 -4.458 1.00 0.00 C ATOM 200 O ILE A 15 2.698 -0.962 -3.919 1.00 0.00 O ATOM 201 CB ILE A 15 -0.454 0.112 -4.659 1.00 0.00 C ATOM 202 CG1 ILE A 15 -1.317 0.980 -5.584 1.00 0.00 C ATOM 203 CG2 ILE A 15 -0.272 0.817 -3.314 1.00 0.00 C ATOM 204 CD1 ILE A 15 -2.749 0.445 -5.571 1.00 0.00 C ATOM 0 H ILE A 15 -0.224 -0.861 -6.941 1.00 0.00 H new ATOM 0 HA ILE A 15 1.492 0.782 -5.320 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.956 -0.844 -4.507 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.299 2.018 -5.252 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.917 0.963 -6.598 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.248 0.998 -2.863 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.323 0.188 -2.651 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.239 1.768 -3.468 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.371 1.055 -6.226 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.755 -0.587 -5.923 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.143 0.485 -4.555 1.00 0.00 H new ATOM 216 N THR A 16 1.041 -2.358 -4.339 1.00 0.00 N ATOM 217 CA THR A 16 1.657 -3.450 -3.528 1.00 0.00 C ATOM 218 C THR A 16 3.101 -3.705 -3.978 1.00 0.00 C ATOM 219 O THR A 16 3.923 -4.172 -3.212 1.00 0.00 O ATOM 220 CB THR A 16 0.836 -4.733 -3.693 1.00 0.00 C ATOM 221 OG1 THR A 16 1.492 -5.799 -3.020 1.00 0.00 O ATOM 222 CG2 THR A 16 0.695 -5.076 -5.179 1.00 0.00 C ATOM 0 H THR A 16 0.150 -2.598 -4.773 1.00 0.00 H new ATOM 0 HA THR A 16 1.665 -3.148 -2.481 1.00 0.00 H new ATOM 0 HB THR A 16 -0.156 -4.583 -3.267 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.385 -6.626 -3.535 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.110 -5.989 -5.288 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.191 -4.259 -5.695 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.684 -5.224 -5.614 1.00 0.00 H new ATOM 230 N ASP A 17 3.415 -3.398 -5.211 1.00 0.00 N ATOM 231 CA ASP A 17 4.803 -3.618 -5.713 1.00 0.00 C ATOM 232 C ASP A 17 5.754 -2.631 -5.031 1.00 0.00 C ATOM 233 O ASP A 17 6.918 -2.922 -4.826 1.00 0.00 O ATOM 234 CB ASP A 17 4.839 -3.399 -7.226 1.00 0.00 C ATOM 235 CG ASP A 17 5.902 -4.308 -7.849 1.00 0.00 C ATOM 236 OD1 ASP A 17 7.038 -3.875 -7.950 1.00 0.00 O ATOM 237 OD2 ASP A 17 5.560 -5.420 -8.213 1.00 0.00 O ATOM 0 H ASP A 17 2.767 -3.003 -5.893 1.00 0.00 H new ATOM 0 HA ASP A 17 5.114 -4.638 -5.487 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.862 -3.615 -7.659 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.062 -2.355 -7.448 1.00 0.00 H new ATOM 242 N MET A 18 5.265 -1.469 -4.678 1.00 0.00 N ATOM 243 CA MET A 18 6.134 -0.458 -4.007 1.00 0.00 C ATOM 244 C MET A 18 6.064 -0.635 -2.487 1.00 0.00 C ATOM 245 O MET A 18 6.956 -0.222 -1.768 1.00 0.00 O ATOM 246 CB MET A 18 5.656 0.949 -4.376 1.00 0.00 C ATOM 247 CG MET A 18 6.853 1.899 -4.424 1.00 0.00 C ATOM 248 SD MET A 18 7.859 1.530 -5.882 1.00 0.00 S ATOM 249 CE MET A 18 8.275 3.238 -6.309 1.00 0.00 C ATOM 0 H MET A 18 4.299 -1.177 -4.826 1.00 0.00 H new ATOM 0 HA MET A 18 7.164 -0.596 -4.337 1.00 0.00 H new ATOM 0 HB2 MET A 18 5.153 0.932 -5.343 1.00 0.00 H new ATOM 0 HB3 MET A 18 4.928 1.301 -3.645 1.00 0.00 H new ATOM 0 HG2 MET A 18 6.509 2.933 -4.459 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.452 1.792 -3.519 1.00 0.00 H new ATOM 0 HE1 MET A 18 8.905 3.248 -7.199 1.00 0.00 H new ATOM 0 HE2 MET A 18 7.360 3.797 -6.506 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.811 3.700 -5.480 1.00 0.00 H new ATOM 259 N LEU A 19 5.017 -1.254 -1.991 1.00 0.00 N ATOM 260 CA LEU A 19 4.894 -1.460 -0.523 1.00 0.00 C ATOM 261 C LEU A 19 5.610 -2.752 -0.152 1.00 0.00 C ATOM 262 O LEU A 19 6.219 -2.861 0.894 1.00 0.00 O ATOM 263 CB LEU A 19 3.414 -1.563 -0.143 1.00 0.00 C ATOM 264 CG LEU A 19 2.774 -0.167 -0.181 1.00 0.00 C ATOM 265 CD1 LEU A 19 1.900 -0.030 -1.430 1.00 0.00 C ATOM 266 CD2 LEU A 19 1.910 0.039 1.070 1.00 0.00 C ATOM 0 H LEU A 19 4.245 -1.624 -2.546 1.00 0.00 H new ATOM 0 HA LEU A 19 5.340 -0.621 0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.897 -2.230 -0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.313 -1.993 0.853 1.00 0.00 H new ATOM 0 HG LEU A 19 3.562 0.585 -0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.449 0.962 -1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.513 -0.169 -2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.114 -0.785 -1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.457 1.030 1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.126 -0.717 1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.532 -0.049 1.961 1.00 0.00 H new ATOM 278 N VAL A 20 5.547 -3.724 -1.019 1.00 0.00 N ATOM 279 CA VAL A 20 6.225 -5.019 -0.755 1.00 0.00 C ATOM 280 C VAL A 20 7.726 -4.853 -1.014 1.00 0.00 C ATOM 281 O VAL A 20 8.549 -5.481 -0.375 1.00 0.00 O ATOM 282 CB VAL A 20 5.640 -6.083 -1.690 1.00 0.00 C ATOM 283 CG1 VAL A 20 6.328 -7.424 -1.448 1.00 0.00 C ATOM 284 CG2 VAL A 20 4.143 -6.231 -1.413 1.00 0.00 C ATOM 0 H VAL A 20 5.049 -3.673 -1.908 1.00 0.00 H new ATOM 0 HA VAL A 20 6.072 -5.328 0.279 1.00 0.00 H new ATOM 0 HB VAL A 20 5.799 -5.777 -2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.907 -8.175 -2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.396 -7.325 -1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.173 -7.731 -0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.723 -6.987 -2.076 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.993 -6.534 -0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.645 -5.278 -1.588 1.00 0.00 H new ATOM 294 N GLU A 21 8.083 -4.003 -1.945 1.00 0.00 N ATOM 295 CA GLU A 21 9.527 -3.782 -2.250 1.00 0.00 C ATOM 296 C GLU A 21 10.207 -3.147 -1.036 1.00 0.00 C ATOM 297 O GLU A 21 11.110 -3.721 -0.448 1.00 0.00 O ATOM 298 CB GLU A 21 9.657 -2.848 -3.455 1.00 0.00 C ATOM 299 CG GLU A 21 11.128 -2.737 -3.860 1.00 0.00 C ATOM 300 CD GLU A 21 11.241 -1.945 -5.164 1.00 0.00 C ATOM 301 OE1 GLU A 21 10.371 -2.100 -6.006 1.00 0.00 O ATOM 302 OE2 GLU A 21 12.194 -1.196 -5.299 1.00 0.00 O ATOM 0 H GLU A 21 7.434 -3.452 -2.507 1.00 0.00 H new ATOM 0 HA GLU A 21 10.003 -4.735 -2.479 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.067 -3.229 -4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.261 -1.863 -3.209 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.697 -2.243 -3.072 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.557 -3.731 -3.988 1.00 0.00 H new ATOM 309 N LEU A 22 9.778 -1.970 -0.651 1.00 0.00 N ATOM 310 CA LEU A 22 10.401 -1.304 0.529 1.00 0.00 C ATOM 311 C LEU A 22 10.150 -2.164 1.776 1.00 0.00 C ATOM 312 O LEU A 22 10.969 -2.225 2.671 1.00 0.00 O ATOM 313 CB LEU A 22 9.815 0.114 0.705 1.00 0.00 C ATOM 314 CG LEU A 22 8.380 0.059 1.253 1.00 0.00 C ATOM 315 CD1 LEU A 22 8.420 0.050 2.788 1.00 0.00 C ATOM 316 CD2 LEU A 22 7.601 1.285 0.771 1.00 0.00 C ATOM 0 H LEU A 22 9.028 -1.446 -1.101 1.00 0.00 H new ATOM 0 HA LEU A 22 11.476 -1.205 0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.445 0.689 1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.822 0.634 -0.253 1.00 0.00 H new ATOM 0 HG LEU A 22 7.889 -0.846 0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.403 0.011 3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.975 -0.823 3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.911 0.956 3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.583 1.246 1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.091 2.191 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.573 1.293 -0.319 1.00 0.00 H new ATOM 328 N ALA A 23 9.017 -2.832 1.829 1.00 0.00 N ATOM 329 CA ALA A 23 8.688 -3.701 3.006 1.00 0.00 C ATOM 330 C ALA A 23 9.854 -4.652 3.291 1.00 0.00 C ATOM 331 O ALA A 23 10.173 -4.936 4.429 1.00 0.00 O ATOM 332 CB ALA A 23 7.433 -4.521 2.699 1.00 0.00 C ATOM 0 H ALA A 23 8.303 -2.811 1.101 1.00 0.00 H new ATOM 0 HA ALA A 23 8.513 -3.071 3.878 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.193 -5.153 3.554 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.599 -3.848 2.499 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.612 -5.146 1.824 1.00 0.00 H new ATOM 338 N ASN A 24 10.506 -5.120 2.258 1.00 0.00 N ATOM 339 CA ASN A 24 11.665 -6.022 2.448 1.00 0.00 C ATOM 340 C ASN A 24 12.795 -5.168 3.040 1.00 0.00 C ATOM 341 O ASN A 24 13.505 -5.584 3.933 1.00 0.00 O ATOM 342 CB ASN A 24 12.028 -6.627 1.068 1.00 0.00 C ATOM 343 CG ASN A 24 13.539 -6.812 0.890 1.00 0.00 C ATOM 344 OD1 ASN A 24 14.049 -7.911 0.972 1.00 0.00 O ATOM 345 ND2 ASN A 24 14.272 -5.764 0.647 1.00 0.00 N ATOM 0 H ASN A 24 10.278 -4.910 1.286 1.00 0.00 H new ATOM 0 HA ASN A 24 11.464 -6.852 3.126 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.531 -7.590 0.955 1.00 0.00 H new ATOM 0 HB3 ASN A 24 11.649 -5.978 0.279 1.00 0.00 H new ATOM 0 HD21 ASN A 24 15.280 -5.864 0.524 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.839 -4.843 0.579 1.00 0.00 H new ATOM 352 N PHE A 25 12.939 -3.972 2.541 1.00 0.00 N ATOM 353 CA PHE A 25 13.999 -3.056 3.056 1.00 0.00 C ATOM 354 C PHE A 25 13.777 -2.770 4.545 1.00 0.00 C ATOM 355 O PHE A 25 14.691 -2.378 5.245 1.00 0.00 O ATOM 356 CB PHE A 25 13.948 -1.742 2.276 1.00 0.00 C ATOM 357 CG PHE A 25 15.217 -0.960 2.512 1.00 0.00 C ATOM 358 CD1 PHE A 25 15.325 -0.125 3.632 1.00 0.00 C ATOM 359 CD2 PHE A 25 16.285 -1.067 1.613 1.00 0.00 C ATOM 360 CE1 PHE A 25 16.501 0.601 3.852 1.00 0.00 C ATOM 361 CE2 PHE A 25 17.461 -0.341 1.833 1.00 0.00 C ATOM 362 CZ PHE A 25 17.569 0.494 2.953 1.00 0.00 C ATOM 0 H PHE A 25 12.364 -3.585 1.792 1.00 0.00 H new ATOM 0 HA PHE A 25 14.972 -3.530 2.928 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.827 -1.944 1.212 1.00 0.00 H new ATOM 0 HB3 PHE A 25 13.084 -1.155 2.589 1.00 0.00 H new ATOM 0 HD1 PHE A 25 14.501 -0.042 4.325 1.00 0.00 H new ATOM 0 HD2 PHE A 25 16.201 -1.710 0.749 1.00 0.00 H new ATOM 0 HE1 PHE A 25 16.585 1.244 4.716 1.00 0.00 H new ATOM 0 HE2 PHE A 25 18.285 -0.424 1.140 1.00 0.00 H new ATOM 0 HZ PHE A 25 18.476 1.055 3.123 1.00 0.00 H new ATOM 372 N GLU A 26 12.575 -2.958 5.037 1.00 0.00 N ATOM 373 CA GLU A 26 12.312 -2.690 6.486 1.00 0.00 C ATOM 374 C GLU A 26 12.849 -3.857 7.318 1.00 0.00 C ATOM 375 O GLU A 26 13.688 -3.680 8.181 1.00 0.00 O ATOM 376 CB GLU A 26 10.802 -2.534 6.754 1.00 0.00 C ATOM 377 CG GLU A 26 10.105 -1.760 5.621 1.00 0.00 C ATOM 378 CD GLU A 26 10.785 -0.403 5.394 1.00 0.00 C ATOM 379 OE1 GLU A 26 11.953 -0.397 5.044 1.00 0.00 O ATOM 380 OE2 GLU A 26 10.122 0.606 5.570 1.00 0.00 O ATOM 0 H GLU A 26 11.770 -3.283 4.502 1.00 0.00 H new ATOM 0 HA GLU A 26 12.812 -1.762 6.763 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.346 -3.519 6.857 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.651 -2.012 7.699 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.134 -2.345 4.702 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.054 -1.609 5.869 1.00 0.00 H new ATOM 387 N LYS A 27 12.369 -5.048 7.061 1.00 0.00 N ATOM 388 CA LYS A 27 12.844 -6.235 7.831 1.00 0.00 C ATOM 389 C LYS A 27 14.300 -6.532 7.466 1.00 0.00 C ATOM 390 O LYS A 27 15.097 -6.898 8.310 1.00 0.00 O ATOM 391 CB LYS A 27 11.972 -7.446 7.489 1.00 0.00 C ATOM 392 CG LYS A 27 12.362 -8.627 8.381 1.00 0.00 C ATOM 393 CD LYS A 27 12.186 -9.933 7.605 1.00 0.00 C ATOM 394 CE LYS A 27 12.173 -11.110 8.581 1.00 0.00 C ATOM 395 NZ LYS A 27 10.771 -11.387 9.006 1.00 0.00 N ATOM 0 H LYS A 27 11.667 -5.248 6.349 1.00 0.00 H new ATOM 0 HA LYS A 27 12.774 -6.028 8.899 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.920 -7.201 7.632 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.098 -7.713 6.440 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.396 -8.523 8.709 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.743 -8.639 9.278 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.256 -9.908 7.037 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.996 -10.053 6.886 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.602 -11.993 8.108 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.790 -10.882 9.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.761 -12.187 9.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.377 -10.545 9.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.195 -11.622 8.172 1.00 0.00 H new ATOM 409 N ASN A 28 14.656 -6.371 6.214 1.00 0.00 N ATOM 410 CA ASN A 28 16.065 -6.634 5.786 1.00 0.00 C ATOM 411 C ASN A 28 17.019 -5.734 6.578 1.00 0.00 C ATOM 412 O ASN A 28 18.167 -6.071 6.796 1.00 0.00 O ATOM 413 CB ASN A 28 16.211 -6.339 4.291 1.00 0.00 C ATOM 414 CG ASN A 28 15.552 -7.459 3.482 1.00 0.00 C ATOM 415 OD1 ASN A 28 14.456 -7.883 3.791 1.00 0.00 O ATOM 416 ND2 ASN A 28 16.179 -7.958 2.453 1.00 0.00 N ATOM 0 H ASN A 28 14.029 -6.068 5.469 1.00 0.00 H new ATOM 0 HA ASN A 28 16.310 -7.679 5.976 1.00 0.00 H new ATOM 0 HB2 ASN A 28 15.747 -5.382 4.052 1.00 0.00 H new ATOM 0 HB3 ASN A 28 17.265 -6.257 4.027 1.00 0.00 H new ATOM 0 HD21 ASN A 28 15.749 -8.705 1.907 1.00 0.00 H new ATOM 0 HD22 ASN A 28 17.099 -7.601 2.194 1.00 0.00 H new ATOM 423 N VAL A 29 16.542 -4.596 7.017 1.00 0.00 N ATOM 424 CA VAL A 29 17.401 -3.671 7.806 1.00 0.00 C ATOM 425 C VAL A 29 17.266 -4.035 9.292 1.00 0.00 C ATOM 426 O VAL A 29 16.364 -4.755 9.680 1.00 0.00 O ATOM 427 CB VAL A 29 16.946 -2.225 7.545 1.00 0.00 C ATOM 428 CG1 VAL A 29 17.690 -1.249 8.466 1.00 0.00 C ATOM 429 CG2 VAL A 29 17.247 -1.863 6.090 1.00 0.00 C ATOM 0 H VAL A 29 15.589 -4.269 6.860 1.00 0.00 H new ATOM 0 HA VAL A 29 18.447 -3.760 7.514 1.00 0.00 H new ATOM 0 HB VAL A 29 15.877 -2.151 7.744 1.00 0.00 H new ATOM 0 HG11 VAL A 29 17.354 -0.232 8.266 1.00 0.00 H new ATOM 0 HG12 VAL A 29 17.484 -1.501 9.506 1.00 0.00 H new ATOM 0 HG13 VAL A 29 18.762 -1.320 8.281 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.927 -0.839 5.896 1.00 0.00 H new ATOM 0 HG22 VAL A 29 18.318 -1.950 5.908 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.710 -2.542 5.428 1.00 0.00 H new ATOM 439 N SER A 30 18.168 -3.564 10.115 1.00 0.00 N ATOM 440 CA SER A 30 18.112 -3.904 11.569 1.00 0.00 C ATOM 441 C SER A 30 17.043 -3.071 12.283 1.00 0.00 C ATOM 442 O SER A 30 16.028 -3.589 12.712 1.00 0.00 O ATOM 443 CB SER A 30 19.474 -3.623 12.204 1.00 0.00 C ATOM 444 OG SER A 30 19.411 -3.906 13.596 1.00 0.00 O ATOM 0 H SER A 30 18.942 -2.958 9.842 1.00 0.00 H new ATOM 0 HA SER A 30 17.857 -4.959 11.670 1.00 0.00 H new ATOM 0 HB2 SER A 30 20.242 -4.235 11.731 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.754 -2.582 12.045 1.00 0.00 H new ATOM 0 HG SER A 30 20.283 -3.728 14.006 1.00 0.00 H new ATOM 450 N GLN A 31 17.273 -1.791 12.436 1.00 0.00 N ATOM 451 CA GLN A 31 16.284 -0.926 13.148 1.00 0.00 C ATOM 452 C GLN A 31 15.144 -0.519 12.206 1.00 0.00 C ATOM 453 O GLN A 31 14.902 0.654 11.980 1.00 0.00 O ATOM 454 CB GLN A 31 16.998 0.325 13.669 1.00 0.00 C ATOM 455 CG GLN A 31 17.897 -0.052 14.848 1.00 0.00 C ATOM 456 CD GLN A 31 17.031 -0.500 16.028 1.00 0.00 C ATOM 457 OE1 GLN A 31 16.495 0.319 16.748 1.00 0.00 O ATOM 458 NE2 GLN A 31 16.871 -1.775 16.257 1.00 0.00 N ATOM 0 H GLN A 31 18.105 -1.307 12.098 1.00 0.00 H new ATOM 0 HA GLN A 31 15.857 -1.485 13.981 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.593 0.774 12.874 1.00 0.00 H new ATOM 0 HB3 GLN A 31 16.266 1.071 13.980 1.00 0.00 H new ATOM 0 HG2 GLN A 31 18.578 -0.852 14.558 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.512 0.800 15.137 1.00 0.00 H new ATOM 0 HE21 GLN A 31 17.321 -2.462 15.652 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.296 -2.084 17.041 1.00 0.00 H new ATOM 467 N ALA A 32 14.432 -1.477 11.662 1.00 0.00 N ATOM 468 CA ALA A 32 13.299 -1.139 10.749 1.00 0.00 C ATOM 469 C ALA A 32 12.230 -2.234 10.825 1.00 0.00 C ATOM 470 O ALA A 32 11.974 -2.936 9.864 1.00 0.00 O ATOM 471 CB ALA A 32 13.816 -1.013 9.316 1.00 0.00 C ATOM 0 H ALA A 32 14.587 -2.474 11.811 1.00 0.00 H new ATOM 0 HA ALA A 32 12.858 -0.190 11.055 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.988 -0.766 8.651 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.567 -0.225 9.268 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.262 -1.958 9.006 1.00 0.00 H new ATOM 477 N ILE A 33 11.599 -2.378 11.964 1.00 0.00 N ATOM 478 CA ILE A 33 10.540 -3.419 12.111 1.00 0.00 C ATOM 479 C ILE A 33 9.171 -2.722 12.229 1.00 0.00 C ATOM 480 O ILE A 33 8.163 -3.251 11.813 1.00 0.00 O ATOM 481 CB ILE A 33 10.885 -4.316 13.341 1.00 0.00 C ATOM 482 CG1 ILE A 33 11.030 -5.773 12.885 1.00 0.00 C ATOM 483 CG2 ILE A 33 9.816 -4.252 14.446 1.00 0.00 C ATOM 484 CD1 ILE A 33 12.175 -5.890 11.875 1.00 0.00 C ATOM 0 H ILE A 33 11.773 -1.818 12.798 1.00 0.00 H new ATOM 0 HA ILE A 33 10.492 -4.073 11.240 1.00 0.00 H new ATOM 0 HB ILE A 33 11.818 -3.937 13.758 1.00 0.00 H new ATOM 0 HG12 ILE A 33 11.224 -6.415 13.744 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.099 -6.117 12.434 1.00 0.00 H new ATOM 0 HG21 ILE A 33 10.111 -4.896 15.275 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.720 -3.226 14.800 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.859 -4.589 14.047 1.00 0.00 H new ATOM 0 HD11 ILE A 33 12.273 -6.927 11.555 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.963 -5.262 11.010 1.00 0.00 H new ATOM 0 HD13 ILE A 33 13.105 -5.564 12.340 1.00 0.00 H new ATOM 496 N HIS A 34 9.138 -1.541 12.787 1.00 0.00 N ATOM 497 CA HIS A 34 7.835 -0.804 12.920 1.00 0.00 C ATOM 498 C HIS A 34 7.282 -0.521 11.520 1.00 0.00 C ATOM 499 O HIS A 34 6.130 -0.791 11.225 1.00 0.00 O ATOM 500 CB HIS A 34 8.012 0.529 13.685 1.00 0.00 C ATOM 501 CG HIS A 34 9.337 1.176 13.358 1.00 0.00 C ATOM 502 ND1 HIS A 34 10.483 0.900 14.085 1.00 0.00 N ATOM 503 CD2 HIS A 34 9.717 2.065 12.382 1.00 0.00 C ATOM 504 CE1 HIS A 34 11.489 1.606 13.541 1.00 0.00 C ATOM 505 NE2 HIS A 34 11.077 2.335 12.500 1.00 0.00 N ATOM 0 H HIS A 34 9.952 -1.051 13.158 1.00 0.00 H new ATOM 0 HA HIS A 34 7.142 -1.425 13.488 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.200 1.209 13.429 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.949 0.347 14.758 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.060 2.490 11.637 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.507 1.586 13.902 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.638 2.956 11.917 1.00 0.00 H new ATOM 513 N LYS A 35 8.106 0.006 10.652 1.00 0.00 N ATOM 514 CA LYS A 35 7.652 0.298 9.259 1.00 0.00 C ATOM 515 C LYS A 35 7.461 -1.018 8.492 1.00 0.00 C ATOM 516 O LYS A 35 6.754 -1.067 7.504 1.00 0.00 O ATOM 517 CB LYS A 35 8.694 1.167 8.539 1.00 0.00 C ATOM 518 CG LYS A 35 10.103 0.577 8.720 1.00 0.00 C ATOM 519 CD LYS A 35 11.004 1.592 9.437 1.00 0.00 C ATOM 520 CE LYS A 35 11.842 2.354 8.408 1.00 0.00 C ATOM 521 NZ LYS A 35 11.011 3.423 7.784 1.00 0.00 N ATOM 0 H LYS A 35 9.077 0.248 10.848 1.00 0.00 H new ATOM 0 HA LYS A 35 6.705 0.836 9.299 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.453 1.230 7.478 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.665 2.183 8.934 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.049 -0.346 9.297 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.528 0.322 7.749 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.396 2.289 10.013 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.656 1.079 10.143 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.717 2.792 8.888 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.208 1.670 7.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.598 3.984 7.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.227 2.989 7.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.627 4.042 8.526 1.00 0.00 H new ATOM 535 N TYR A 36 8.081 -2.086 8.942 1.00 0.00 N ATOM 536 CA TYR A 36 7.935 -3.402 8.246 1.00 0.00 C ATOM 537 C TYR A 36 6.451 -3.789 8.179 1.00 0.00 C ATOM 538 O TYR A 36 5.852 -3.801 7.120 1.00 0.00 O ATOM 539 CB TYR A 36 8.720 -4.465 9.029 1.00 0.00 C ATOM 540 CG TYR A 36 8.631 -5.806 8.338 1.00 0.00 C ATOM 541 CD1 TYR A 36 8.888 -5.912 6.967 1.00 0.00 C ATOM 542 CD2 TYR A 36 8.296 -6.945 9.078 1.00 0.00 C ATOM 543 CE1 TYR A 36 8.809 -7.156 6.335 1.00 0.00 C ATOM 544 CE2 TYR A 36 8.219 -8.190 8.447 1.00 0.00 C ATOM 545 CZ TYR A 36 8.474 -8.297 7.075 1.00 0.00 C ATOM 546 OH TYR A 36 8.397 -9.526 6.453 1.00 0.00 O ATOM 0 H TYR A 36 8.684 -2.100 9.765 1.00 0.00 H new ATOM 0 HA TYR A 36 8.325 -3.332 7.231 1.00 0.00 H new ATOM 0 HB2 TYR A 36 9.764 -4.163 9.117 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.325 -4.544 10.042 1.00 0.00 H new ATOM 0 HD1 TYR A 36 9.148 -5.032 6.397 1.00 0.00 H new ATOM 0 HD2 TYR A 36 8.097 -6.862 10.136 1.00 0.00 H new ATOM 0 HE1 TYR A 36 9.006 -7.237 5.276 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.963 -9.070 9.019 1.00 0.00 H new ATOM 0 HH TYR A 36 8.154 -10.211 7.111 1.00 0.00 H new ATOM 556 N ASN A 37 5.854 -4.099 9.305 1.00 0.00 N ATOM 557 CA ASN A 37 4.407 -4.480 9.323 1.00 0.00 C ATOM 558 C ASN A 37 3.562 -3.370 8.680 1.00 0.00 C ATOM 559 O ASN A 37 2.468 -3.613 8.206 1.00 0.00 O ATOM 560 CB ASN A 37 3.956 -4.687 10.770 1.00 0.00 C ATOM 561 CG ASN A 37 2.630 -5.450 10.787 1.00 0.00 C ATOM 562 OD1 ASN A 37 1.627 -4.938 11.244 1.00 0.00 O ATOM 563 ND2 ASN A 37 2.582 -6.662 10.305 1.00 0.00 N ATOM 0 H ASN A 37 6.310 -4.104 10.217 1.00 0.00 H new ATOM 0 HA ASN A 37 4.273 -5.403 8.758 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.714 -5.242 11.323 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.840 -3.724 11.267 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.703 -7.179 10.312 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.424 -7.092 9.921 1.00 0.00 H new ATOM 570 N ALA A 38 4.065 -2.156 8.653 1.00 0.00 N ATOM 571 CA ALA A 38 3.299 -1.029 8.033 1.00 0.00 C ATOM 572 C ALA A 38 2.943 -1.375 6.584 1.00 0.00 C ATOM 573 O ALA A 38 1.785 -1.485 6.227 1.00 0.00 O ATOM 574 CB ALA A 38 4.164 0.234 8.040 1.00 0.00 C ATOM 0 H ALA A 38 4.975 -1.899 9.035 1.00 0.00 H new ATOM 0 HA ALA A 38 2.385 -0.863 8.604 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.610 1.057 7.589 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.424 0.491 9.067 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.075 0.054 7.469 1.00 0.00 H new ATOM 580 N TYR A 39 3.936 -1.537 5.752 1.00 0.00 N ATOM 581 CA TYR A 39 3.683 -1.861 4.318 1.00 0.00 C ATOM 582 C TYR A 39 3.249 -3.321 4.178 1.00 0.00 C ATOM 583 O TYR A 39 2.546 -3.677 3.253 1.00 0.00 O ATOM 584 CB TYR A 39 4.965 -1.629 3.516 1.00 0.00 C ATOM 585 CG TYR A 39 5.319 -0.162 3.549 1.00 0.00 C ATOM 586 CD1 TYR A 39 6.009 0.370 4.646 1.00 0.00 C ATOM 587 CD2 TYR A 39 4.955 0.669 2.484 1.00 0.00 C ATOM 588 CE1 TYR A 39 6.333 1.731 4.677 1.00 0.00 C ATOM 589 CE2 TYR A 39 5.280 2.029 2.514 1.00 0.00 C ATOM 590 CZ TYR A 39 5.968 2.561 3.611 1.00 0.00 C ATOM 591 OH TYR A 39 6.287 3.904 3.640 1.00 0.00 O ATOM 0 H TYR A 39 4.921 -1.458 6.007 1.00 0.00 H new ATOM 0 HA TYR A 39 2.889 -1.218 3.939 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.780 -2.220 3.933 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.827 -1.958 2.486 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.291 -0.271 5.468 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.423 0.260 1.638 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.865 2.141 5.523 1.00 0.00 H new ATOM 0 HE2 TYR A 39 5.000 2.669 1.690 1.00 0.00 H new ATOM 0 HH TYR A 39 7.112 4.033 4.153 1.00 0.00 H new ATOM 601 N ARG A 40 3.665 -4.169 5.086 1.00 0.00 N ATOM 602 CA ARG A 40 3.279 -5.609 5.004 1.00 0.00 C ATOM 603 C ARG A 40 1.756 -5.741 5.098 1.00 0.00 C ATOM 604 O ARG A 40 1.155 -6.575 4.447 1.00 0.00 O ATOM 605 CB ARG A 40 3.930 -6.377 6.156 1.00 0.00 C ATOM 606 CG ARG A 40 4.123 -7.840 5.750 1.00 0.00 C ATOM 607 CD ARG A 40 5.325 -7.954 4.810 1.00 0.00 C ATOM 608 NE ARG A 40 5.353 -9.319 4.200 1.00 0.00 N ATOM 609 CZ ARG A 40 4.505 -9.666 3.250 1.00 0.00 C ATOM 610 NH1 ARG A 40 3.600 -8.830 2.797 1.00 0.00 N ATOM 611 NH2 ARG A 40 4.569 -10.869 2.749 1.00 0.00 N ATOM 0 H ARG A 40 4.256 -3.925 5.881 1.00 0.00 H new ATOM 0 HA ARG A 40 3.618 -6.020 4.053 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.891 -5.929 6.409 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.305 -6.315 7.047 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.280 -8.456 6.635 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.225 -8.213 5.257 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.263 -7.196 4.029 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.248 -7.770 5.359 1.00 0.00 H new ATOM 0 HE ARG A 40 6.042 -9.997 4.525 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.540 -7.887 3.180 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.957 -9.124 2.062 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.268 -11.528 3.092 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.920 -11.151 2.014 1.00 0.00 H new ATOM 625 N LYS A 41 1.132 -4.925 5.909 1.00 0.00 N ATOM 626 CA LYS A 41 -0.352 -4.998 6.059 1.00 0.00 C ATOM 627 C LYS A 41 -1.028 -4.236 4.915 1.00 0.00 C ATOM 628 O LYS A 41 -1.925 -4.745 4.268 1.00 0.00 O ATOM 629 CB LYS A 41 -0.758 -4.376 7.396 1.00 0.00 C ATOM 630 CG LYS A 41 -1.968 -5.122 7.961 1.00 0.00 C ATOM 631 CD LYS A 41 -2.292 -4.588 9.357 1.00 0.00 C ATOM 632 CE LYS A 41 -3.322 -5.498 10.028 1.00 0.00 C ATOM 633 NZ LYS A 41 -3.028 -5.591 11.486 1.00 0.00 N ATOM 0 H LYS A 41 1.588 -4.210 6.475 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.666 -6.041 6.030 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.073 -4.425 8.099 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.999 -3.322 7.260 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.827 -4.994 7.303 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.760 -6.191 8.008 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.385 -4.542 9.960 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.680 -3.572 9.288 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.327 -5.104 9.873 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.295 -6.490 9.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.728 -6.210 11.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.076 -5.985 11.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.075 -4.643 11.911 1.00 0.00 H new ATOM 647 N ALA A 42 -0.610 -3.021 4.666 1.00 0.00 N ATOM 648 CA ALA A 42 -1.230 -2.220 3.569 1.00 0.00 C ATOM 649 C ALA A 42 -0.966 -2.895 2.220 1.00 0.00 C ATOM 650 O ALA A 42 -1.734 -2.752 1.288 1.00 0.00 O ATOM 651 CB ALA A 42 -0.629 -0.812 3.560 1.00 0.00 C ATOM 0 H ALA A 42 0.136 -2.549 5.177 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.305 -2.157 3.736 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.082 -0.228 2.759 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.823 -0.327 4.517 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.447 -0.877 3.398 1.00 0.00 H new ATOM 657 N ALA A 43 0.114 -3.625 2.109 1.00 0.00 N ATOM 658 CA ALA A 43 0.430 -4.308 0.821 1.00 0.00 C ATOM 659 C ALA A 43 -0.489 -5.518 0.645 1.00 0.00 C ATOM 660 O ALA A 43 -0.920 -5.824 -0.449 1.00 0.00 O ATOM 661 CB ALA A 43 1.889 -4.773 0.831 1.00 0.00 C ATOM 0 H ALA A 43 0.791 -3.777 2.857 1.00 0.00 H new ATOM 0 HA ALA A 43 0.277 -3.612 -0.004 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.118 -5.272 -0.111 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.545 -3.911 0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.044 -5.468 1.657 1.00 0.00 H new ATOM 667 N SER A 44 -0.788 -6.208 1.717 1.00 0.00 N ATOM 668 CA SER A 44 -1.679 -7.404 1.620 1.00 0.00 C ATOM 669 C SER A 44 -3.118 -6.959 1.346 1.00 0.00 C ATOM 670 O SER A 44 -3.785 -7.494 0.479 1.00 0.00 O ATOM 671 CB SER A 44 -1.628 -8.181 2.935 1.00 0.00 C ATOM 672 OG SER A 44 -0.286 -8.561 3.205 1.00 0.00 O ATOM 0 H SER A 44 -0.453 -5.994 2.656 1.00 0.00 H new ATOM 0 HA SER A 44 -1.339 -8.041 0.803 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.015 -7.567 3.748 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.263 -9.065 2.873 1.00 0.00 H new ATOM 0 HG SER A 44 0.154 -7.859 3.729 1.00 0.00 H new ATOM 678 N VAL A 45 -3.601 -5.992 2.082 1.00 0.00 N ATOM 679 CA VAL A 45 -5.001 -5.511 1.877 1.00 0.00 C ATOM 680 C VAL A 45 -5.139 -4.897 0.478 1.00 0.00 C ATOM 681 O VAL A 45 -6.170 -5.015 -0.156 1.00 0.00 O ATOM 682 CB VAL A 45 -5.337 -4.465 2.954 1.00 0.00 C ATOM 683 CG1 VAL A 45 -4.353 -3.296 2.865 1.00 0.00 C ATOM 684 CG2 VAL A 45 -6.765 -3.942 2.756 1.00 0.00 C ATOM 0 H VAL A 45 -3.084 -5.513 2.819 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.695 -6.348 1.960 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.260 -4.935 3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.595 -2.558 3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.338 -3.662 3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.424 -2.835 1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.991 -3.202 3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.850 -3.481 1.772 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.470 -4.770 2.831 1.00 0.00 H new ATOM 694 N ILE A 46 -4.115 -4.239 -0.002 1.00 0.00 N ATOM 695 CA ILE A 46 -4.190 -3.613 -1.356 1.00 0.00 C ATOM 696 C ILE A 46 -3.851 -4.655 -2.428 1.00 0.00 C ATOM 697 O ILE A 46 -4.314 -4.570 -3.551 1.00 0.00 O ATOM 698 CB ILE A 46 -3.203 -2.440 -1.427 1.00 0.00 C ATOM 699 CG1 ILE A 46 -3.541 -1.434 -0.321 1.00 0.00 C ATOM 700 CG2 ILE A 46 -3.314 -1.749 -2.790 1.00 0.00 C ATOM 701 CD1 ILE A 46 -2.376 -0.459 -0.138 1.00 0.00 C ATOM 0 H ILE A 46 -3.229 -4.108 0.486 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.200 -3.244 -1.534 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.187 -2.812 -1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.448 -0.887 -0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.739 -1.959 0.614 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.611 -0.917 -2.835 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.082 -2.463 -3.580 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.328 -1.374 -2.926 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.619 0.255 0.649 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.479 -1.012 0.139 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.199 0.076 -1.071 1.00 0.00 H new ATOM 713 N ALA A 47 -3.050 -5.635 -2.091 1.00 0.00 N ATOM 714 CA ALA A 47 -2.685 -6.685 -3.089 1.00 0.00 C ATOM 715 C ALA A 47 -3.718 -7.817 -3.062 1.00 0.00 C ATOM 716 O ALA A 47 -3.848 -8.567 -4.013 1.00 0.00 O ATOM 717 CB ALA A 47 -1.304 -7.252 -2.752 1.00 0.00 C ATOM 0 H ALA A 47 -2.633 -5.753 -1.167 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.668 -6.239 -4.083 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.038 -8.018 -3.480 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.565 -6.451 -2.781 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.324 -7.691 -1.755 1.00 0.00 H new ATOM 723 N LYS A 48 -4.454 -7.951 -1.983 1.00 0.00 N ATOM 724 CA LYS A 48 -5.476 -9.037 -1.900 1.00 0.00 C ATOM 725 C LYS A 48 -6.881 -8.446 -2.066 1.00 0.00 C ATOM 726 O LYS A 48 -7.859 -9.034 -1.645 1.00 0.00 O ATOM 727 CB LYS A 48 -5.373 -9.729 -0.539 1.00 0.00 C ATOM 728 CG LYS A 48 -5.833 -11.183 -0.667 1.00 0.00 C ATOM 729 CD LYS A 48 -6.012 -11.788 0.727 1.00 0.00 C ATOM 730 CE LYS A 48 -4.642 -11.998 1.376 1.00 0.00 C ATOM 731 NZ LYS A 48 -4.333 -10.847 2.271 1.00 0.00 N ATOM 0 H LYS A 48 -4.389 -7.354 -1.158 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.295 -9.761 -2.695 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.345 -9.692 -0.178 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.987 -9.206 0.194 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.772 -11.231 -1.219 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.101 -11.758 -1.233 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.621 -11.128 1.345 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.542 -12.738 0.657 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.637 -12.927 1.946 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.874 -12.091 0.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.679 -10.198 1.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.212 -10.342 2.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.892 -11.196 3.146 1.00 0.00 H new ATOM 745 N TYR A 49 -6.987 -7.290 -2.676 1.00 0.00 N ATOM 746 CA TYR A 49 -8.325 -6.661 -2.871 1.00 0.00 C ATOM 747 C TYR A 49 -8.845 -7.014 -4.278 1.00 0.00 C ATOM 748 O TYR A 49 -8.072 -7.035 -5.216 1.00 0.00 O ATOM 749 CB TYR A 49 -8.182 -5.140 -2.738 1.00 0.00 C ATOM 750 CG TYR A 49 -9.500 -4.516 -2.325 1.00 0.00 C ATOM 751 CD1 TYR A 49 -10.230 -5.049 -1.253 1.00 0.00 C ATOM 752 CD2 TYR A 49 -9.987 -3.397 -3.010 1.00 0.00 C ATOM 753 CE1 TYR A 49 -11.443 -4.464 -0.872 1.00 0.00 C ATOM 754 CE2 TYR A 49 -11.201 -2.812 -2.627 1.00 0.00 C ATOM 755 CZ TYR A 49 -11.928 -3.346 -1.558 1.00 0.00 C ATOM 756 OH TYR A 49 -13.124 -2.770 -1.180 1.00 0.00 O ATOM 0 H TYR A 49 -6.201 -6.756 -3.047 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.028 -7.028 -2.123 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.415 -4.904 -2.001 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.854 -4.716 -3.687 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.856 -5.911 -0.721 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.426 -2.984 -3.835 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -12.005 -4.876 -0.047 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.575 -1.949 -3.157 1.00 0.00 H new ATOM 0 HH TYR A 49 -13.315 -2.003 -1.759 1.00 0.00 H new ATOM 766 N PRO A 50 -10.133 -7.287 -4.402 1.00 0.00 N ATOM 767 CA PRO A 50 -10.768 -7.646 -5.710 1.00 0.00 C ATOM 768 C PRO A 50 -11.184 -6.393 -6.487 1.00 0.00 C ATOM 769 O PRO A 50 -11.856 -6.488 -7.498 1.00 0.00 O ATOM 770 CB PRO A 50 -11.996 -8.445 -5.296 1.00 0.00 C ATOM 771 CG PRO A 50 -12.356 -8.024 -3.881 1.00 0.00 C ATOM 772 CD PRO A 50 -11.154 -7.281 -3.293 1.00 0.00 C ATOM 0 HA PRO A 50 -10.094 -8.195 -6.368 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -12.826 -8.253 -5.976 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -11.790 -9.515 -5.338 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.237 -7.382 -3.886 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -12.601 -8.896 -3.274 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.419 -6.265 -3.001 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.775 -7.780 -2.401 1.00 0.00 H new ATOM 780 N HIS A 51 -10.807 -5.220 -6.029 1.00 0.00 N ATOM 781 CA HIS A 51 -11.207 -3.977 -6.757 1.00 0.00 C ATOM 782 C HIS A 51 -10.112 -2.919 -6.610 1.00 0.00 C ATOM 783 O HIS A 51 -9.067 -3.170 -6.038 1.00 0.00 O ATOM 784 CB HIS A 51 -12.525 -3.442 -6.176 1.00 0.00 C ATOM 785 CG HIS A 51 -13.518 -4.571 -6.055 1.00 0.00 C ATOM 786 ND1 HIS A 51 -14.117 -5.152 -7.161 1.00 0.00 N ATOM 787 CD2 HIS A 51 -13.999 -5.254 -4.966 1.00 0.00 C ATOM 788 CE1 HIS A 51 -14.916 -6.140 -6.717 1.00 0.00 C ATOM 789 NE2 HIS A 51 -14.882 -6.244 -5.387 1.00 0.00 N ATOM 0 H HIS A 51 -10.245 -5.073 -5.191 1.00 0.00 H new ATOM 0 HA HIS A 51 -11.345 -4.206 -7.814 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -12.348 -2.993 -5.199 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -12.926 -2.658 -6.819 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -13.733 -5.054 -3.939 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -15.512 -6.772 -7.359 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -15.393 -6.907 -4.804 1.00 0.00 H new ATOM 797 N LYS A 52 -10.342 -1.739 -7.130 1.00 0.00 N ATOM 798 CA LYS A 52 -9.319 -0.658 -7.032 1.00 0.00 C ATOM 799 C LYS A 52 -9.744 0.355 -5.966 1.00 0.00 C ATOM 800 O LYS A 52 -10.900 0.430 -5.596 1.00 0.00 O ATOM 801 CB LYS A 52 -9.194 0.050 -8.382 1.00 0.00 C ATOM 802 CG LYS A 52 -8.702 -0.945 -9.436 1.00 0.00 C ATOM 803 CD LYS A 52 -9.078 -0.438 -10.831 1.00 0.00 C ATOM 804 CE LYS A 52 -8.051 -0.937 -11.849 1.00 0.00 C ATOM 805 NZ LYS A 52 -8.469 -0.528 -13.219 1.00 0.00 N ATOM 0 H LYS A 52 -11.198 -1.479 -7.620 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.358 -1.094 -6.758 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.158 0.463 -8.679 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.499 0.886 -8.303 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.621 -1.067 -9.361 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.146 -1.925 -9.262 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.074 -0.789 -11.101 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.112 0.651 -10.837 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.067 -0.527 -11.620 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.965 -2.022 -11.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.771 -0.867 -13.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.399 -0.940 -13.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.529 0.509 -13.268 1.00 0.00 H new ATOM 819 N ILE A 53 -8.814 1.133 -5.473 1.00 0.00 N ATOM 820 CA ILE A 53 -9.152 2.147 -4.432 1.00 0.00 C ATOM 821 C ILE A 53 -9.361 3.508 -5.098 1.00 0.00 C ATOM 822 O ILE A 53 -8.686 3.850 -6.051 1.00 0.00 O ATOM 823 CB ILE A 53 -8.007 2.246 -3.420 1.00 0.00 C ATOM 824 CG1 ILE A 53 -7.665 0.850 -2.893 1.00 0.00 C ATOM 825 CG2 ILE A 53 -8.433 3.136 -2.252 1.00 0.00 C ATOM 826 CD1 ILE A 53 -6.356 0.907 -2.103 1.00 0.00 C ATOM 0 H ILE A 53 -7.832 1.108 -5.748 1.00 0.00 H new ATOM 0 HA ILE A 53 -10.065 1.847 -3.917 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.132 2.676 -3.907 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.470 0.483 -2.256 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.571 0.150 -3.723 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.618 3.206 -1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.676 4.132 -2.623 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -9.309 2.705 -1.767 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.114 -0.087 -1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.554 1.255 -2.753 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.467 1.594 -1.264 1.00 0.00 H new ATOM 838 N LYS A 54 -10.294 4.283 -4.607 1.00 0.00 N ATOM 839 CA LYS A 54 -10.555 5.623 -5.209 1.00 0.00 C ATOM 840 C LYS A 54 -9.710 6.681 -4.495 1.00 0.00 C ATOM 841 O LYS A 54 -8.831 7.284 -5.083 1.00 0.00 O ATOM 842 CB LYS A 54 -12.037 5.970 -5.058 1.00 0.00 C ATOM 843 CG LYS A 54 -12.415 7.056 -6.068 1.00 0.00 C ATOM 844 CD LYS A 54 -13.584 7.877 -5.523 1.00 0.00 C ATOM 845 CE LYS A 54 -14.145 8.769 -6.632 1.00 0.00 C ATOM 846 NZ LYS A 54 -15.259 8.061 -7.324 1.00 0.00 N ATOM 0 H LYS A 54 -10.887 4.044 -3.813 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.291 5.601 -6.266 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.647 5.081 -5.219 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -12.239 6.316 -4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.559 7.704 -6.258 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.689 6.602 -7.020 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -14.363 7.214 -5.147 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.252 8.488 -4.684 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.503 9.709 -6.211 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.359 9.018 -7.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.640 8.667 -8.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.904 7.176 -7.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -16.012 7.845 -6.639 1.00 0.00 H new ATOM 860 N SER A 55 -9.970 6.909 -3.233 1.00 0.00 N ATOM 861 CA SER A 55 -9.187 7.929 -2.473 1.00 0.00 C ATOM 862 C SER A 55 -8.479 7.257 -1.295 1.00 0.00 C ATOM 863 O SER A 55 -8.596 6.063 -1.089 1.00 0.00 O ATOM 864 CB SER A 55 -10.133 9.010 -1.950 1.00 0.00 C ATOM 865 OG SER A 55 -10.826 9.597 -3.044 1.00 0.00 O ATOM 0 H SER A 55 -10.693 6.431 -2.695 1.00 0.00 H new ATOM 0 HA SER A 55 -8.445 8.382 -3.131 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.843 8.578 -1.245 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.570 9.772 -1.410 1.00 0.00 H new ATOM 0 HG SER A 55 -11.435 10.289 -2.712 1.00 0.00 H new ATOM 871 N GLY A 56 -7.746 8.018 -0.522 1.00 0.00 N ATOM 872 CA GLY A 56 -7.024 7.435 0.648 1.00 0.00 C ATOM 873 C GLY A 56 -8.034 6.857 1.640 1.00 0.00 C ATOM 874 O GLY A 56 -7.774 5.865 2.295 1.00 0.00 O ATOM 0 H GLY A 56 -7.617 9.021 -0.652 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.340 6.655 0.314 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.420 8.201 1.134 1.00 0.00 H new ATOM 878 N ALA A 57 -9.186 7.470 1.754 1.00 0.00 N ATOM 879 CA ALA A 57 -10.222 6.962 2.701 1.00 0.00 C ATOM 880 C ALA A 57 -10.646 5.552 2.283 1.00 0.00 C ATOM 881 O ALA A 57 -10.998 4.731 3.109 1.00 0.00 O ATOM 882 CB ALA A 57 -11.438 7.890 2.675 1.00 0.00 C ATOM 0 H ALA A 57 -9.453 8.303 1.229 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.810 6.934 3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.194 7.518 3.367 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.136 8.894 2.973 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.852 7.920 1.667 1.00 0.00 H new ATOM 888 N GLU A 58 -10.610 5.269 1.007 1.00 0.00 N ATOM 889 CA GLU A 58 -11.005 3.915 0.521 1.00 0.00 C ATOM 890 C GLU A 58 -9.937 2.891 0.921 1.00 0.00 C ATOM 891 O GLU A 58 -10.215 1.711 1.034 1.00 0.00 O ATOM 892 CB GLU A 58 -11.143 3.939 -1.002 1.00 0.00 C ATOM 893 CG GLU A 58 -12.597 4.237 -1.379 1.00 0.00 C ATOM 894 CD GLU A 58 -12.964 3.471 -2.651 1.00 0.00 C ATOM 895 OE1 GLU A 58 -12.591 2.314 -2.751 1.00 0.00 O ATOM 896 OE2 GLU A 58 -13.612 4.054 -3.504 1.00 0.00 O ATOM 0 H GLU A 58 -10.322 5.921 0.278 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.959 3.636 0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.484 4.697 -1.426 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.837 2.980 -1.421 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -13.261 3.949 -0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.731 5.307 -1.535 1.00 0.00 H new ATOM 903 N ALA A 59 -8.720 3.329 1.136 1.00 0.00 N ATOM 904 CA ALA A 59 -7.637 2.383 1.529 1.00 0.00 C ATOM 905 C ALA A 59 -7.655 2.181 3.047 1.00 0.00 C ATOM 906 O ALA A 59 -7.322 1.123 3.543 1.00 0.00 O ATOM 907 CB ALA A 59 -6.282 2.958 1.109 1.00 0.00 C ATOM 0 H ALA A 59 -8.433 4.304 1.055 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.797 1.425 1.035 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.489 2.267 1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.266 3.100 0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.125 3.917 1.603 1.00 0.00 H new ATOM 913 N LYS A 60 -8.039 3.193 3.784 1.00 0.00 N ATOM 914 CA LYS A 60 -8.076 3.073 5.273 1.00 0.00 C ATOM 915 C LYS A 60 -9.285 2.239 5.702 1.00 0.00 C ATOM 916 O LYS A 60 -9.218 1.483 6.654 1.00 0.00 O ATOM 917 CB LYS A 60 -8.178 4.468 5.893 1.00 0.00 C ATOM 918 CG LYS A 60 -6.913 5.266 5.570 1.00 0.00 C ATOM 919 CD LYS A 60 -7.248 6.758 5.527 1.00 0.00 C ATOM 920 CE LYS A 60 -7.202 7.332 6.945 1.00 0.00 C ATOM 921 NZ LYS A 60 -8.530 7.149 7.596 1.00 0.00 N ATOM 0 H LYS A 60 -8.329 4.099 3.417 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.164 2.583 5.614 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.056 4.986 5.506 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.305 4.389 6.973 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.148 5.076 6.323 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.503 4.947 4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.538 7.283 4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.237 6.907 5.095 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.427 6.832 7.527 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.943 8.390 6.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.690 7.917 8.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.277 7.168 6.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.551 6.235 8.091 1.00 0.00 H new ATOM 935 N LYS A 61 -10.389 2.373 5.012 1.00 0.00 N ATOM 936 CA LYS A 61 -11.611 1.593 5.381 1.00 0.00 C ATOM 937 C LYS A 61 -11.323 0.091 5.284 1.00 0.00 C ATOM 938 O LYS A 61 -11.942 -0.709 5.960 1.00 0.00 O ATOM 939 CB LYS A 61 -12.755 1.953 4.430 1.00 0.00 C ATOM 940 CG LYS A 61 -12.318 1.711 2.982 1.00 0.00 C ATOM 941 CD LYS A 61 -13.546 1.710 2.067 1.00 0.00 C ATOM 942 CE LYS A 61 -14.003 0.270 1.823 1.00 0.00 C ATOM 943 NZ LYS A 61 -15.439 0.266 1.423 1.00 0.00 N ATOM 0 H LYS A 61 -10.498 2.990 4.207 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.894 1.839 6.405 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.635 1.352 4.660 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -13.038 2.997 4.565 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.619 2.486 2.668 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.794 0.759 2.904 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.352 2.286 2.522 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.306 2.192 1.119 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.396 -0.188 1.043 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.864 -0.325 2.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.750 -0.712 1.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.012 0.688 2.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.558 0.820 0.551 1.00 0.00 H new ATOM 957 N LEU A 62 -10.397 -0.295 4.442 1.00 0.00 N ATOM 958 CA LEU A 62 -10.075 -1.742 4.292 1.00 0.00 C ATOM 959 C LEU A 62 -9.343 -2.236 5.552 1.00 0.00 C ATOM 960 O LEU A 62 -8.603 -1.484 6.158 1.00 0.00 O ATOM 961 CB LEU A 62 -9.179 -1.951 3.066 1.00 0.00 C ATOM 962 CG LEU A 62 -9.811 -1.295 1.834 1.00 0.00 C ATOM 963 CD1 LEU A 62 -8.708 -0.880 0.858 1.00 0.00 C ATOM 964 CD2 LEU A 62 -10.743 -2.294 1.146 1.00 0.00 C ATOM 0 H LEU A 62 -9.851 0.333 3.852 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.999 -2.305 4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.193 -1.524 3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.037 -3.017 2.887 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.379 -0.417 2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.155 -0.413 -0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.039 -0.171 1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.143 -1.760 0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.193 -1.828 0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.173 -3.171 0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.528 -2.596 1.839 1.00 0.00 H new ATOM 976 N PRO A 63 -9.561 -3.487 5.920 1.00 0.00 N ATOM 977 CA PRO A 63 -8.922 -4.105 7.126 1.00 0.00 C ATOM 978 C PRO A 63 -7.481 -4.505 6.815 1.00 0.00 C ATOM 979 O PRO A 63 -7.226 -5.505 6.171 1.00 0.00 O ATOM 980 CB PRO A 63 -9.786 -5.326 7.408 1.00 0.00 C ATOM 981 CG PRO A 63 -10.460 -5.707 6.105 1.00 0.00 C ATOM 982 CD PRO A 63 -10.454 -4.472 5.203 1.00 0.00 C ATOM 0 HA PRO A 63 -8.869 -3.429 7.980 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -9.178 -6.150 7.782 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.528 -5.104 8.175 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.932 -6.532 5.628 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.481 -6.044 6.286 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.070 -4.707 4.210 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.459 -4.073 5.069 1.00 0.00 H new ATOM 990 N GLY A 64 -6.542 -3.719 7.266 1.00 0.00 N ATOM 991 CA GLY A 64 -5.108 -4.027 7.005 1.00 0.00 C ATOM 992 C GLY A 64 -4.334 -2.724 6.784 1.00 0.00 C ATOM 993 O GLY A 64 -3.141 -2.659 7.013 1.00 0.00 O ATOM 0 H GLY A 64 -6.708 -2.871 7.808 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.684 -4.575 7.847 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.017 -4.669 6.129 1.00 0.00 H new ATOM 997 N VAL A 65 -5.004 -1.686 6.340 1.00 0.00 N ATOM 998 CA VAL A 65 -4.304 -0.388 6.104 1.00 0.00 C ATOM 999 C VAL A 65 -4.339 0.453 7.381 1.00 0.00 C ATOM 1000 O VAL A 65 -5.338 0.506 8.073 1.00 0.00 O ATOM 1001 CB VAL A 65 -5.004 0.371 4.974 1.00 0.00 C ATOM 1002 CG1 VAL A 65 -4.209 1.634 4.635 1.00 0.00 C ATOM 1003 CG2 VAL A 65 -5.083 -0.524 3.736 1.00 0.00 C ATOM 0 H VAL A 65 -6.003 -1.684 6.132 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.268 -0.581 5.826 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.009 0.649 5.292 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.709 2.173 3.830 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.147 2.273 5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.204 1.357 4.317 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.581 0.014 2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.076 -0.799 3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.648 -1.425 3.974 1.00 0.00 H new ATOM 1013 N GLY A 66 -3.251 1.109 7.696 1.00 0.00 N ATOM 1014 CA GLY A 66 -3.206 1.953 8.926 1.00 0.00 C ATOM 1015 C GLY A 66 -3.355 3.425 8.539 1.00 0.00 C ATOM 1016 O GLY A 66 -3.971 3.752 7.542 1.00 0.00 O ATOM 0 H GLY A 66 -2.389 1.095 7.151 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.005 1.663 9.609 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.264 1.798 9.452 1.00 0.00 H new ATOM 1020 N THR A 67 -2.796 4.313 9.321 1.00 0.00 N ATOM 1021 CA THR A 67 -2.901 5.769 9.006 1.00 0.00 C ATOM 1022 C THR A 67 -1.618 6.239 8.317 1.00 0.00 C ATOM 1023 O THR A 67 -1.635 7.160 7.522 1.00 0.00 O ATOM 1024 CB THR A 67 -3.102 6.557 10.303 1.00 0.00 C ATOM 1025 OG1 THR A 67 -3.939 5.816 11.180 1.00 0.00 O ATOM 1026 CG2 THR A 67 -3.753 7.904 9.988 1.00 0.00 C ATOM 0 H THR A 67 -2.270 4.091 10.166 1.00 0.00 H new ATOM 0 HA THR A 67 -3.750 5.936 8.343 1.00 0.00 H new ATOM 0 HB THR A 67 -2.136 6.727 10.779 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.067 6.318 12.012 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.896 8.464 10.912 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.109 8.471 9.316 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.719 7.739 9.511 1.00 0.00 H new ATOM 1034 N LYS A 68 -0.506 5.615 8.618 1.00 0.00 N ATOM 1035 CA LYS A 68 0.782 6.022 7.986 1.00 0.00 C ATOM 1036 C LYS A 68 0.793 5.591 6.517 1.00 0.00 C ATOM 1037 O LYS A 68 0.835 6.414 5.620 1.00 0.00 O ATOM 1038 CB LYS A 68 1.945 5.353 8.723 1.00 0.00 C ATOM 1039 CG LYS A 68 3.263 6.000 8.293 1.00 0.00 C ATOM 1040 CD LYS A 68 4.323 5.764 9.370 1.00 0.00 C ATOM 1041 CE LYS A 68 4.318 6.932 10.357 1.00 0.00 C ATOM 1042 NZ LYS A 68 5.656 7.044 11.003 1.00 0.00 N ATOM 0 H LYS A 68 -0.437 4.839 9.277 1.00 0.00 H new ATOM 0 HA LYS A 68 0.888 7.105 8.045 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.813 5.454 9.800 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.963 4.286 8.503 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.594 5.579 7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.121 7.069 8.136 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.122 4.830 9.895 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.307 5.666 8.911 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.074 7.859 9.838 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.549 6.779 11.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.652 7.838 11.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.871 6.162 11.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.380 7.209 10.275 1.00 0.00 H new ATOM 1056 N ILE A 69 0.756 4.305 6.266 1.00 0.00 N ATOM 1057 CA ILE A 69 0.765 3.814 4.856 1.00 0.00 C ATOM 1058 C ILE A 69 -0.463 4.348 4.118 1.00 0.00 C ATOM 1059 O ILE A 69 -0.412 4.624 2.935 1.00 0.00 O ATOM 1060 CB ILE A 69 0.744 2.282 4.842 1.00 0.00 C ATOM 1061 CG1 ILE A 69 1.909 1.732 5.678 1.00 0.00 C ATOM 1062 CG2 ILE A 69 0.870 1.777 3.402 1.00 0.00 C ATOM 1063 CD1 ILE A 69 3.248 2.243 5.132 1.00 0.00 C ATOM 0 H ILE A 69 0.720 3.575 6.978 1.00 0.00 H new ATOM 0 HA ILE A 69 1.669 4.167 4.359 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.198 1.938 5.269 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.794 2.036 6.718 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.894 0.642 5.661 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.855 0.687 3.396 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.037 2.155 2.810 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.809 2.129 2.974 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.063 1.844 5.736 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.368 1.917 4.099 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.266 3.332 5.173 1.00 0.00 H new ATOM 1075 N ALA A 70 -1.565 4.501 4.811 1.00 0.00 N ATOM 1076 CA ALA A 70 -2.805 5.024 4.157 1.00 0.00 C ATOM 1077 C ALA A 70 -2.513 6.389 3.526 1.00 0.00 C ATOM 1078 O ALA A 70 -2.939 6.675 2.422 1.00 0.00 O ATOM 1079 CB ALA A 70 -3.913 5.170 5.199 1.00 0.00 C ATOM 0 H ALA A 70 -1.659 4.286 5.804 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.127 4.327 3.383 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.815 5.551 4.720 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.122 4.198 5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.593 5.865 5.975 1.00 0.00 H new ATOM 1085 N GLU A 71 -1.778 7.226 4.217 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.438 8.565 3.665 1.00 0.00 C ATOM 1087 C GLU A 71 -0.632 8.383 2.377 1.00 0.00 C ATOM 1088 O GLU A 71 -0.806 9.105 1.412 1.00 0.00 O ATOM 1089 CB GLU A 71 -0.604 9.343 4.684 1.00 0.00 C ATOM 1090 CG GLU A 71 -1.485 9.735 5.873 1.00 0.00 C ATOM 1091 CD GLU A 71 -2.206 11.048 5.563 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -3.071 11.037 4.704 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -1.881 12.042 6.191 1.00 0.00 O ATOM 0 H GLU A 71 -1.399 7.034 5.144 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.353 9.118 3.453 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.234 8.735 5.024 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.183 10.235 4.220 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.211 8.948 6.076 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.876 9.845 6.770 1.00 0.00 H new ATOM 1100 N LYS A 72 0.245 7.407 2.358 1.00 0.00 N ATOM 1101 CA LYS A 72 1.063 7.151 1.136 1.00 0.00 C ATOM 1102 C LYS A 72 0.134 6.781 -0.023 1.00 0.00 C ATOM 1103 O LYS A 72 0.415 7.070 -1.172 1.00 0.00 O ATOM 1104 CB LYS A 72 2.032 5.998 1.403 1.00 0.00 C ATOM 1105 CG LYS A 72 3.065 5.927 0.277 1.00 0.00 C ATOM 1106 CD LYS A 72 4.387 5.386 0.828 1.00 0.00 C ATOM 1107 CE LYS A 72 5.249 6.550 1.320 1.00 0.00 C ATOM 1108 NZ LYS A 72 6.642 6.071 1.553 1.00 0.00 N ATOM 0 H LYS A 72 0.428 6.777 3.139 1.00 0.00 H new ATOM 0 HA LYS A 72 1.629 8.046 0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.532 6.144 2.361 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.485 5.057 1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.702 5.283 -0.524 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.217 6.916 -0.154 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.195 4.691 1.645 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.916 4.830 0.054 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.248 7.354 0.584 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.835 6.960 2.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.229 6.861 1.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.635 5.317 2.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.035 5.700 0.664 1.00 0.00 H new ATOM 1122 N ILE A 73 -0.977 6.151 0.275 1.00 0.00 N ATOM 1123 CA ILE A 73 -1.939 5.767 -0.802 1.00 0.00 C ATOM 1124 C ILE A 73 -2.470 7.040 -1.465 1.00 0.00 C ATOM 1125 O ILE A 73 -2.582 7.122 -2.672 1.00 0.00 O ATOM 1126 CB ILE A 73 -3.106 4.977 -0.194 1.00 0.00 C ATOM 1127 CG1 ILE A 73 -2.568 3.761 0.580 1.00 0.00 C ATOM 1128 CG2 ILE A 73 -4.045 4.504 -1.307 1.00 0.00 C ATOM 1129 CD1 ILE A 73 -1.782 2.835 -0.357 1.00 0.00 C ATOM 0 H ILE A 73 -1.258 5.887 1.219 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.437 5.145 -1.543 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.655 5.623 0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.925 4.096 1.394 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.396 3.214 1.032 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.872 3.944 -0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.435 5.368 -1.845 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.497 3.864 -1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.408 1.980 0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.436 2.486 -1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.943 3.381 -0.788 1.00 0.00 H new ATOM 1141 N ASP A 74 -2.787 8.042 -0.679 1.00 0.00 N ATOM 1142 CA ASP A 74 -3.303 9.326 -1.247 1.00 0.00 C ATOM 1143 C ASP A 74 -2.299 9.877 -2.262 1.00 0.00 C ATOM 1144 O ASP A 74 -2.670 10.358 -3.315 1.00 0.00 O ATOM 1145 CB ASP A 74 -3.493 10.343 -0.119 1.00 0.00 C ATOM 1146 CG ASP A 74 -4.662 9.912 0.768 1.00 0.00 C ATOM 1147 OD1 ASP A 74 -4.446 9.087 1.641 1.00 0.00 O ATOM 1148 OD2 ASP A 74 -5.755 10.412 0.559 1.00 0.00 O ATOM 0 H ASP A 74 -2.709 8.024 0.338 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.258 9.145 -1.741 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.582 10.418 0.474 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.685 11.332 -0.536 1.00 0.00 H new ATOM 1153 N GLU A 75 -1.027 9.793 -1.955 1.00 0.00 N ATOM 1154 CA GLU A 75 0.010 10.293 -2.906 1.00 0.00 C ATOM 1155 C GLU A 75 -0.059 9.475 -4.200 1.00 0.00 C ATOM 1156 O GLU A 75 0.273 9.954 -5.267 1.00 0.00 O ATOM 1157 CB GLU A 75 1.397 10.138 -2.276 1.00 0.00 C ATOM 1158 CG GLU A 75 1.722 11.379 -1.444 1.00 0.00 C ATOM 1159 CD GLU A 75 2.192 12.504 -2.367 1.00 0.00 C ATOM 1160 OE1 GLU A 75 3.011 12.232 -3.230 1.00 0.00 O ATOM 1161 OE2 GLU A 75 1.726 13.619 -2.196 1.00 0.00 O ATOM 0 H GLU A 75 -0.664 9.400 -1.087 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.170 11.345 -3.127 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.425 9.248 -1.647 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.148 10.002 -3.054 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.841 11.696 -0.886 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.496 11.147 -0.713 1.00 0.00 H new ATOM 1168 N PHE A 76 -0.497 8.244 -4.108 1.00 0.00 N ATOM 1169 CA PHE A 76 -0.605 7.382 -5.319 1.00 0.00 C ATOM 1170 C PHE A 76 -1.767 7.865 -6.183 1.00 0.00 C ATOM 1171 O PHE A 76 -1.625 8.089 -7.371 1.00 0.00 O ATOM 1172 CB PHE A 76 -0.872 5.934 -4.881 1.00 0.00 C ATOM 1173 CG PHE A 76 0.337 5.084 -5.163 1.00 0.00 C ATOM 1174 CD1 PHE A 76 0.701 4.809 -6.485 1.00 0.00 C ATOM 1175 CD2 PHE A 76 1.090 4.573 -4.105 1.00 0.00 C ATOM 1176 CE1 PHE A 76 1.825 4.018 -6.749 1.00 0.00 C ATOM 1177 CE2 PHE A 76 2.215 3.782 -4.365 1.00 0.00 C ATOM 1178 CZ PHE A 76 2.583 3.504 -5.688 1.00 0.00 C ATOM 0 H PHE A 76 -0.786 7.798 -3.237 1.00 0.00 H new ATOM 0 HA PHE A 76 0.322 7.433 -5.890 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.109 5.904 -3.817 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.738 5.538 -5.411 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.116 5.206 -7.301 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.805 4.788 -3.086 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.108 3.804 -7.769 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.799 3.386 -3.547 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.451 2.894 -5.890 1.00 0.00 H new ATOM 1188 N LEU A 77 -2.917 8.005 -5.590 1.00 0.00 N ATOM 1189 CA LEU A 77 -4.113 8.451 -6.350 1.00 0.00 C ATOM 1190 C LEU A 77 -3.993 9.940 -6.694 1.00 0.00 C ATOM 1191 O LEU A 77 -4.557 10.404 -7.666 1.00 0.00 O ATOM 1192 CB LEU A 77 -5.365 8.220 -5.494 1.00 0.00 C ATOM 1193 CG LEU A 77 -5.741 6.726 -5.444 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -5.902 6.162 -6.859 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -4.653 5.943 -4.706 1.00 0.00 C ATOM 0 H LEU A 77 -3.080 7.827 -4.599 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.187 7.881 -7.276 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.190 8.587 -4.483 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.198 8.793 -5.901 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.689 6.626 -4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.167 5.106 -6.802 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.689 6.706 -7.380 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.964 6.271 -7.403 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.923 4.888 -4.673 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.704 6.058 -5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.556 6.325 -3.690 1.00 0.00 H new ATOM 1207 N ALA A 78 -3.267 10.692 -5.903 1.00 0.00 N ATOM 1208 CA ALA A 78 -3.112 12.151 -6.183 1.00 0.00 C ATOM 1209 C ALA A 78 -2.416 12.342 -7.535 1.00 0.00 C ATOM 1210 O ALA A 78 -3.055 12.615 -8.534 1.00 0.00 O ATOM 1211 CB ALA A 78 -2.279 12.799 -5.072 1.00 0.00 C ATOM 0 H ALA A 78 -2.775 10.357 -5.075 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.094 12.623 -6.216 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.166 13.864 -5.276 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.782 12.665 -4.114 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.296 12.330 -5.034 1.00 0.00 H new ATOM 1217 N THR A 79 -1.114 12.198 -7.574 1.00 0.00 N ATOM 1218 CA THR A 79 -0.373 12.367 -8.858 1.00 0.00 C ATOM 1219 C THR A 79 -0.160 10.996 -9.501 1.00 0.00 C ATOM 1220 O THR A 79 -0.552 10.764 -10.630 1.00 0.00 O ATOM 1221 CB THR A 79 0.984 13.018 -8.583 1.00 0.00 C ATOM 1222 OG1 THR A 79 0.826 14.044 -7.612 1.00 0.00 O ATOM 1223 CG2 THR A 79 1.536 13.618 -9.877 1.00 0.00 C ATOM 0 H THR A 79 -0.532 11.970 -6.768 1.00 0.00 H new ATOM 0 HA THR A 79 -0.949 13.002 -9.532 1.00 0.00 H new ATOM 0 HB THR A 79 1.679 12.267 -8.209 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.694 14.461 -7.433 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.503 14.081 -9.680 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.656 12.830 -10.621 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.843 14.370 -10.254 1.00 0.00 H new