USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 487 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 Single : A 21 GLN : amide:sc= -0.0339 K(o=-0.034,f=-1.8!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.408 F(o=-2.5!,f=-0.41) USER MOD Single : A 34 ASN : amide:sc= -0.422 X(o=-0.42,f=-0.42) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.149 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.334) USER MOD Single : A 46 SER OG : rot 53:sc= -3.67 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.716 F(o=-3.8!,f=-0.72) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00356) USER MOD Single : A 59 ASN : amide:sc= 1.09 K(o=1.1,f=-0.24) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -157:sc= -0.0509 (180deg=-0.356) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -143:sc= -0.0254 (180deg=-1.56!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -130:sc= -5.29! (180deg=-7.08!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1.21 K(o=-1.2,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 242 N GLN A 21 7.829 8.219 2.180 1.00 0.00 N ATOM 243 CA GLN A 21 6.887 7.146 2.479 1.00 0.00 C ATOM 244 C GLN A 21 6.472 6.417 1.206 1.00 0.00 C ATOM 245 O GLN A 21 6.487 5.187 1.152 1.00 0.00 O ATOM 246 CB GLN A 21 5.652 7.706 3.186 1.00 0.00 C ATOM 247 CG GLN A 21 5.931 8.206 4.594 1.00 0.00 C ATOM 248 CD GLN A 21 4.837 9.115 5.119 1.00 0.00 C ATOM 249 OE1 GLN A 21 4.019 9.625 4.354 1.00 0.00 O ATOM 250 NE2 GLN A 21 4.817 9.321 6.430 1.00 0.00 N ATOM 0 HA GLN A 21 7.383 6.434 3.139 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.244 8.525 2.593 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.886 6.932 3.230 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.041 7.353 5.263 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.880 8.743 4.603 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.515 8.877 7.027 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.103 9.923 6.841 1.00 0.00 H new ATOM 259 N GLU A 22 6.102 7.182 0.184 1.00 0.00 N ATOM 260 CA GLU A 22 5.681 6.607 -1.088 1.00 0.00 C ATOM 261 C GLU A 22 6.839 5.879 -1.765 1.00 0.00 C ATOM 262 O GLU A 22 6.632 4.953 -2.549 1.00 0.00 O ATOM 263 CB GLU A 22 5.140 7.699 -2.013 1.00 0.00 C ATOM 264 CG GLU A 22 4.334 7.161 -3.183 1.00 0.00 C ATOM 265 CD GLU A 22 4.131 8.194 -4.275 1.00 0.00 C ATOM 266 OE1 GLU A 22 3.867 9.368 -3.941 1.00 0.00 O ATOM 267 OE2 GLU A 22 4.237 7.828 -5.465 1.00 0.00 O ATOM 0 H GLU A 22 6.085 8.201 0.212 1.00 0.00 H new ATOM 0 HA GLU A 22 4.888 5.886 -0.887 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.514 8.378 -1.433 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.975 8.285 -2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.842 6.292 -3.600 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.362 6.821 -2.824 1.00 0.00 H new ATOM 274 N LYS A 23 8.059 6.306 -1.457 1.00 0.00 N ATOM 275 CA LYS A 23 9.251 5.696 -2.034 1.00 0.00 C ATOM 276 C LYS A 23 9.577 4.377 -1.342 1.00 0.00 C ATOM 277 O LYS A 23 9.604 3.321 -1.977 1.00 0.00 O ATOM 278 CB LYS A 23 10.442 6.651 -1.922 1.00 0.00 C ATOM 279 CG LYS A 23 10.594 7.577 -3.116 1.00 0.00 C ATOM 280 CD LYS A 23 11.471 8.773 -2.786 1.00 0.00 C ATOM 281 CE LYS A 23 10.650 9.936 -2.248 1.00 0.00 C ATOM 282 NZ LYS A 23 11.439 10.787 -1.315 1.00 0.00 N ATOM 0 H LYS A 23 8.248 7.072 -0.811 1.00 0.00 H new ATOM 0 HA LYS A 23 9.052 5.494 -3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.332 7.251 -1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.355 6.067 -1.807 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.027 7.027 -3.951 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.611 7.923 -3.437 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.220 8.484 -2.049 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.009 9.089 -3.680 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.293 10.544 -3.079 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.770 9.552 -1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.845 11.568 -0.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.759 10.214 -0.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.265 11.175 -1.813 1.00 0.00 H new ATOM 296 N LEU A 24 9.822 4.443 -0.038 1.00 0.00 N ATOM 297 CA LEU A 24 10.144 3.252 0.741 1.00 0.00 C ATOM 298 C LEU A 24 9.253 2.081 0.339 1.00 0.00 C ATOM 299 O LEU A 24 9.708 0.939 0.263 1.00 0.00 O ATOM 300 CB LEU A 24 9.986 3.538 2.235 1.00 0.00 C ATOM 301 CG LEU A 24 10.131 2.335 3.168 1.00 0.00 C ATOM 302 CD1 LEU A 24 11.463 1.639 2.938 1.00 0.00 C ATOM 303 CD2 LEU A 24 9.996 2.768 4.621 1.00 0.00 C ATOM 0 H LEU A 24 9.804 5.308 0.502 1.00 0.00 H new ATOM 0 HA LEU A 24 11.180 2.983 0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.725 4.286 2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.004 3.982 2.398 1.00 0.00 H new ATOM 0 HG LEU A 24 9.332 1.628 2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.549 0.786 3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.520 1.294 1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.277 2.337 3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.102 1.899 5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.773 3.495 4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.016 3.220 4.776 1.00 0.00 H new ATOM 315 N VAL A 25 7.982 2.372 0.080 1.00 0.00 N ATOM 316 CA VAL A 25 7.029 1.343 -0.318 1.00 0.00 C ATOM 317 C VAL A 25 7.298 0.866 -1.741 1.00 0.00 C ATOM 318 O VAL A 25 7.323 -0.336 -2.009 1.00 0.00 O ATOM 319 CB VAL A 25 5.579 1.856 -0.226 1.00 0.00 C ATOM 320 CG1 VAL A 25 4.595 0.721 -0.461 1.00 0.00 C ATOM 321 CG2 VAL A 25 5.333 2.516 1.122 1.00 0.00 C ATOM 0 H VAL A 25 7.589 3.311 0.139 1.00 0.00 H new ATOM 0 HA VAL A 25 7.156 0.509 0.372 1.00 0.00 H new ATOM 0 HB VAL A 25 5.426 2.604 -1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.576 1.103 -0.392 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.758 0.298 -1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.745 -0.052 0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.304 2.873 1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.504 1.792 1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.015 3.358 1.245 1.00 0.00 H new ATOM 331 N TYR A 26 7.498 1.814 -2.649 1.00 0.00 N ATOM 332 CA TYR A 26 7.763 1.490 -4.046 1.00 0.00 C ATOM 333 C TYR A 26 9.017 0.631 -4.178 1.00 0.00 C ATOM 334 O TYR A 26 9.144 -0.161 -5.111 1.00 0.00 O ATOM 335 CB TYR A 26 7.921 2.771 -4.867 1.00 0.00 C ATOM 336 CG TYR A 26 8.392 2.528 -6.283 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.572 1.899 -7.211 1.00 0.00 C ATOM 338 CD2 TYR A 26 9.658 2.929 -6.693 1.00 0.00 C ATOM 339 CE1 TYR A 26 8.000 1.674 -8.506 1.00 0.00 C ATOM 340 CE2 TYR A 26 10.093 2.710 -7.986 1.00 0.00 C ATOM 341 CZ TYR A 26 9.261 2.082 -8.888 1.00 0.00 C ATOM 342 OH TYR A 26 9.689 1.862 -10.177 1.00 0.00 O ATOM 0 H TYR A 26 7.482 2.813 -2.443 1.00 0.00 H new ATOM 0 HA TYR A 26 6.914 0.923 -4.428 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.965 3.294 -4.896 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.630 3.429 -4.365 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.583 1.580 -6.916 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.313 3.420 -5.989 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.351 1.182 -9.215 1.00 0.00 H new ATOM 0 HE2 TYR A 26 11.079 3.029 -8.288 1.00 0.00 H new ATOM 0 HH TYR A 26 10.599 2.210 -10.283 1.00 0.00 H new ATOM 352 N GLN A 27 9.939 0.793 -3.234 1.00 0.00 N ATOM 353 CA GLN A 27 11.183 0.033 -3.244 1.00 0.00 C ATOM 354 C GLN A 27 10.955 -1.390 -2.747 1.00 0.00 C ATOM 355 O GLN A 27 11.468 -2.349 -3.324 1.00 0.00 O ATOM 356 CB GLN A 27 12.236 0.726 -2.378 1.00 0.00 C ATOM 357 CG GLN A 27 13.318 -0.212 -1.868 1.00 0.00 C ATOM 358 CD GLN A 27 14.293 -0.623 -2.954 1.00 0.00 C ATOM 359 OE1 GLN A 27 13.777 -1.241 -4.010 1.00 0.00 O flip ATOM 360 NE2 GLN A 27 15.497 -0.387 -2.845 1.00 0.00 N flip ATOM 0 H GLN A 27 9.848 1.443 -2.453 1.00 0.00 H new ATOM 0 HA GLN A 27 11.542 -0.014 -4.272 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.702 1.524 -2.956 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.743 1.195 -1.527 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.864 0.275 -1.060 1.00 0.00 H new ATOM 0 HG3 GLN A 27 12.852 -1.103 -1.447 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.850 0.091 -2.016 1.00 0.00 H new ATOM 0 HE22 GLN A 27 16.141 -0.669 -3.584 1.00 0.00 H new ATOM 369 N ILE A 28 10.184 -1.520 -1.672 1.00 0.00 N ATOM 370 CA ILE A 28 9.888 -2.827 -1.098 1.00 0.00 C ATOM 371 C ILE A 28 9.107 -3.694 -2.079 1.00 0.00 C ATOM 372 O ILE A 28 9.324 -4.903 -2.164 1.00 0.00 O ATOM 373 CB ILE A 28 9.085 -2.698 0.209 1.00 0.00 C ATOM 374 CG1 ILE A 28 9.866 -1.874 1.235 1.00 0.00 C ATOM 375 CG2 ILE A 28 8.757 -4.075 0.767 1.00 0.00 C ATOM 376 CD1 ILE A 28 8.984 -1.166 2.239 1.00 0.00 C ATOM 0 H ILE A 28 9.753 -0.736 -1.181 1.00 0.00 H new ATOM 0 HA ILE A 28 10.845 -3.301 -0.881 1.00 0.00 H new ATOM 0 HB ILE A 28 8.149 -2.182 -0.007 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.555 -2.530 1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.471 -1.135 0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.189 -3.967 1.691 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.165 -4.631 0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 28 9.682 -4.615 0.970 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.605 -0.602 2.935 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.313 -0.484 1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.398 -1.901 2.790 1.00 0.00 H new ATOM 388 N ILE A 29 8.198 -3.068 -2.819 1.00 0.00 N ATOM 389 CA ILE A 29 7.386 -3.782 -3.796 1.00 0.00 C ATOM 390 C ILE A 29 8.252 -4.380 -4.899 1.00 0.00 C ATOM 391 O ILE A 29 8.254 -5.592 -5.112 1.00 0.00 O ATOM 392 CB ILE A 29 6.329 -2.860 -4.433 1.00 0.00 C ATOM 393 CG1 ILE A 29 5.385 -2.313 -3.360 1.00 0.00 C ATOM 394 CG2 ILE A 29 5.547 -3.608 -5.502 1.00 0.00 C ATOM 395 CD1 ILE A 29 4.560 -1.134 -3.825 1.00 0.00 C ATOM 0 H ILE A 29 8.006 -2.068 -2.760 1.00 0.00 H new ATOM 0 HA ILE A 29 6.880 -4.584 -3.258 1.00 0.00 H new ATOM 0 HB ILE A 29 6.839 -2.020 -4.905 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.715 -3.110 -3.037 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.970 -2.016 -2.490 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.804 -2.943 -5.942 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.230 -3.953 -6.278 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.045 -4.465 -5.053 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.914 -0.799 -3.013 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.222 -0.321 -4.121 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.948 -1.432 -4.676 1.00 0.00 H new ATOM 407 N GLU A 30 8.990 -3.522 -5.596 1.00 0.00 N ATOM 408 CA GLU A 30 9.862 -3.966 -6.677 1.00 0.00 C ATOM 409 C GLU A 30 10.788 -5.083 -6.204 1.00 0.00 C ATOM 410 O GLU A 30 11.234 -5.912 -6.997 1.00 0.00 O ATOM 411 CB GLU A 30 10.689 -2.794 -7.209 1.00 0.00 C ATOM 412 CG GLU A 30 11.692 -2.251 -6.206 1.00 0.00 C ATOM 413 CD GLU A 30 12.745 -1.370 -6.851 1.00 0.00 C ATOM 414 OE1 GLU A 30 12.490 -0.158 -7.006 1.00 0.00 O ATOM 415 OE2 GLU A 30 13.823 -1.894 -7.200 1.00 0.00 O ATOM 0 H GLU A 30 9.001 -2.515 -5.431 1.00 0.00 H new ATOM 0 HA GLU A 30 9.235 -4.353 -7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.221 -3.113 -8.105 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.015 -1.991 -7.507 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.164 -1.680 -5.443 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.181 -3.083 -5.700 1.00 0.00 H new ATOM 422 N ASP A 31 11.074 -5.097 -4.907 1.00 0.00 N ATOM 423 CA ASP A 31 11.946 -6.112 -4.326 1.00 0.00 C ATOM 424 C ASP A 31 11.319 -7.498 -4.441 1.00 0.00 C ATOM 425 O ASP A 31 11.998 -8.472 -4.761 1.00 0.00 O ATOM 426 CB ASP A 31 12.235 -5.788 -2.860 1.00 0.00 C ATOM 427 CG ASP A 31 13.582 -6.314 -2.405 1.00 0.00 C ATOM 428 OD1 ASP A 31 13.820 -7.533 -2.541 1.00 0.00 O ATOM 429 OD2 ASP A 31 14.399 -5.507 -1.915 1.00 0.00 O ATOM 0 H ASP A 31 10.715 -4.417 -4.237 1.00 0.00 H new ATOM 0 HA ASP A 31 12.884 -6.111 -4.881 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.203 -4.708 -2.717 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.451 -6.216 -2.235 1.00 0.00 H new ATOM 434 N ALA A 32 10.019 -7.577 -4.176 1.00 0.00 N ATOM 435 CA ALA A 32 9.300 -8.843 -4.251 1.00 0.00 C ATOM 436 C ALA A 32 9.507 -9.513 -5.605 1.00 0.00 C ATOM 437 O ALA A 32 9.655 -10.731 -5.689 1.00 0.00 O ATOM 438 CB ALA A 32 7.817 -8.624 -3.989 1.00 0.00 C ATOM 0 H ALA A 32 9.442 -6.780 -3.908 1.00 0.00 H new ATOM 0 HA ALA A 32 9.699 -9.505 -3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.292 -9.578 -4.048 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.682 -8.197 -2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.413 -7.941 -4.736 1.00 0.00 H new ATOM 444 N GLY A 33 9.515 -8.708 -6.663 1.00 0.00 N ATOM 445 CA GLY A 33 9.704 -9.242 -7.999 1.00 0.00 C ATOM 446 C GLY A 33 8.399 -9.665 -8.644 1.00 0.00 C ATOM 447 O GLY A 33 7.325 -9.227 -8.233 1.00 0.00 O ATOM 0 H GLY A 33 9.394 -7.696 -6.619 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.187 -8.490 -8.623 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.377 -10.098 -7.953 1.00 0.00 H new ATOM 451 N ASN A 34 8.491 -10.519 -9.659 1.00 0.00 N ATOM 452 CA ASN A 34 7.308 -11.000 -10.363 1.00 0.00 C ATOM 453 C ASN A 34 6.303 -11.604 -9.388 1.00 0.00 C ATOM 454 O ASN A 34 5.111 -11.302 -9.441 1.00 0.00 O ATOM 455 CB ASN A 34 7.703 -12.038 -11.415 1.00 0.00 C ATOM 456 CG ASN A 34 9.014 -11.699 -12.099 1.00 0.00 C ATOM 457 OD1 ASN A 34 9.171 -10.615 -12.662 1.00 0.00 O ATOM 458 ND2 ASN A 34 9.962 -12.627 -12.053 1.00 0.00 N ATOM 0 H ASN A 34 9.372 -10.892 -10.012 1.00 0.00 H new ATOM 0 HA ASN A 34 6.840 -10.150 -10.859 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.785 -13.017 -10.942 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.914 -12.111 -12.164 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.865 -12.456 -12.496 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.788 -13.511 -11.575 1.00 0.00 H new ATOM 465 N LYS A 35 6.792 -12.461 -8.498 1.00 0.00 N ATOM 466 CA LYS A 35 5.938 -13.108 -7.508 1.00 0.00 C ATOM 467 C LYS A 35 4.987 -12.101 -6.869 1.00 0.00 C ATOM 468 O LYS A 35 3.881 -12.452 -6.459 1.00 0.00 O ATOM 469 CB LYS A 35 6.791 -13.776 -6.427 1.00 0.00 C ATOM 470 CG LYS A 35 7.931 -12.906 -5.927 1.00 0.00 C ATOM 471 CD LYS A 35 8.550 -13.471 -4.660 1.00 0.00 C ATOM 472 CE LYS A 35 9.651 -14.471 -4.975 1.00 0.00 C ATOM 473 NZ LYS A 35 9.929 -15.373 -3.823 1.00 0.00 N ATOM 0 H LYS A 35 7.776 -12.724 -8.442 1.00 0.00 H new ATOM 0 HA LYS A 35 5.346 -13.869 -8.017 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.152 -14.042 -5.585 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.201 -14.705 -6.822 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.694 -12.825 -6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.563 -11.898 -5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.957 -12.658 -4.059 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.778 -13.955 -4.061 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.363 -15.067 -5.841 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.561 -13.936 -5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.685 -16.039 -4.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.228 -14.807 -3.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.068 -15.903 -3.581 1.00 0.00 H new ATOM 487 N GLY A 36 5.424 -10.848 -6.790 1.00 0.00 N ATOM 488 CA GLY A 36 4.598 -9.810 -6.201 1.00 0.00 C ATOM 489 C GLY A 36 4.695 -9.780 -4.689 1.00 0.00 C ATOM 490 O GLY A 36 5.406 -10.588 -4.090 1.00 0.00 O ATOM 0 H GLY A 36 6.335 -10.533 -7.123 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.898 -8.841 -6.600 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.560 -9.967 -6.492 1.00 0.00 H new ATOM 494 N ILE A 37 3.981 -8.845 -4.070 1.00 0.00 N ATOM 495 CA ILE A 37 3.991 -8.713 -2.619 1.00 0.00 C ATOM 496 C ILE A 37 2.583 -8.494 -2.077 1.00 0.00 C ATOM 497 O ILE A 37 1.728 -7.923 -2.754 1.00 0.00 O ATOM 498 CB ILE A 37 4.891 -7.547 -2.166 1.00 0.00 C ATOM 499 CG1 ILE A 37 4.977 -7.505 -0.639 1.00 0.00 C ATOM 500 CG2 ILE A 37 4.362 -6.228 -2.709 1.00 0.00 C ATOM 501 CD1 ILE A 37 5.923 -6.446 -0.117 1.00 0.00 C ATOM 0 H ILE A 37 3.389 -8.168 -4.551 1.00 0.00 H new ATOM 0 HA ILE A 37 4.390 -9.646 -2.220 1.00 0.00 H new ATOM 0 HB ILE A 37 5.894 -7.705 -2.564 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.982 -7.325 -0.232 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.299 -8.480 -0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.008 -5.414 -2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.347 -6.263 -3.798 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.351 -6.061 -2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.934 -6.473 0.973 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.927 -6.637 -0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.590 -5.464 -0.452 1.00 0.00 H new ATOM 513 N TRP A 38 2.349 -8.950 -0.852 1.00 0.00 N ATOM 514 CA TRP A 38 1.044 -8.802 -0.217 1.00 0.00 C ATOM 515 C TRP A 38 0.919 -7.442 0.460 1.00 0.00 C ATOM 516 O TRP A 38 1.772 -7.056 1.260 1.00 0.00 O ATOM 517 CB TRP A 38 0.822 -9.918 0.805 1.00 0.00 C ATOM 518 CG TRP A 38 -0.623 -10.141 1.136 1.00 0.00 C ATOM 519 CD1 TRP A 38 -1.688 -10.005 0.292 1.00 0.00 C ATOM 520 CD2 TRP A 38 -1.161 -10.537 2.402 1.00 0.00 C ATOM 521 NE1 TRP A 38 -2.855 -10.293 0.957 1.00 0.00 N ATOM 522 CE2 TRP A 38 -2.559 -10.623 2.253 1.00 0.00 C ATOM 523 CE3 TRP A 38 -0.597 -10.830 3.647 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -3.398 -10.988 3.302 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -1.432 -11.191 4.688 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.820 -11.269 4.510 1.00 0.00 C ATOM 0 H TRP A 38 3.046 -9.425 -0.278 1.00 0.00 H new ATOM 0 HA TRP A 38 0.280 -8.872 -0.992 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.246 -10.845 0.418 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.364 -9.677 1.719 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.622 -9.714 -0.746 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.790 -10.266 0.551 1.00 0.00 H new ATOM 0 HE3 TRP A 38 0.472 -10.775 3.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.468 -11.047 3.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.007 -11.417 5.655 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.445 -11.556 5.342 1.00 0.00 H new ATOM 537 N SER A 39 -0.148 -6.719 0.136 1.00 0.00 N ATOM 538 CA SER A 39 -0.382 -5.400 0.711 1.00 0.00 C ATOM 539 C SER A 39 0.099 -5.346 2.158 1.00 0.00 C ATOM 540 O SER A 39 0.721 -4.371 2.581 1.00 0.00 O ATOM 541 CB SER A 39 -1.869 -5.047 0.643 1.00 0.00 C ATOM 542 OG SER A 39 -2.631 -5.876 1.504 1.00 0.00 O ATOM 0 H SER A 39 -0.865 -7.025 -0.522 1.00 0.00 H new ATOM 0 HA SER A 39 0.184 -4.672 0.130 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.011 -4.002 0.920 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.225 -5.156 -0.381 1.00 0.00 H new ATOM 0 HG SER A 39 -3.577 -5.629 1.443 1.00 0.00 H new ATOM 548 N ARG A 40 -0.195 -6.400 2.913 1.00 0.00 N ATOM 549 CA ARG A 40 0.206 -6.473 4.313 1.00 0.00 C ATOM 550 C ARG A 40 1.725 -6.414 4.447 1.00 0.00 C ATOM 551 O ARG A 40 2.265 -5.536 5.120 1.00 0.00 O ATOM 552 CB ARG A 40 -0.324 -7.758 4.951 1.00 0.00 C ATOM 553 CG ARG A 40 -1.714 -7.613 5.547 1.00 0.00 C ATOM 554 CD ARG A 40 -2.789 -7.650 4.472 1.00 0.00 C ATOM 555 NE ARG A 40 -3.964 -6.867 4.846 1.00 0.00 N ATOM 556 CZ ARG A 40 -4.956 -7.341 5.591 1.00 0.00 C ATOM 557 NH1 ARG A 40 -4.914 -8.588 6.040 1.00 0.00 N ATOM 558 NH2 ARG A 40 -5.992 -6.568 5.889 1.00 0.00 N ATOM 0 H ARG A 40 -0.709 -7.215 2.579 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.221 -5.615 4.833 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.341 -8.547 4.199 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.366 -8.077 5.732 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.888 -8.414 6.265 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.779 -6.674 6.096 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.380 -7.266 3.537 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.085 -8.683 4.290 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.026 -5.904 4.517 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.119 -9.185 5.813 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.677 -8.950 6.612 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.028 -5.608 5.546 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.753 -6.934 6.461 1.00 0.00 H new ATOM 572 N ASP A 41 2.407 -7.355 3.804 1.00 0.00 N ATOM 573 CA ASP A 41 3.864 -7.410 3.850 1.00 0.00 C ATOM 574 C ASP A 41 4.464 -6.009 3.779 1.00 0.00 C ATOM 575 O ASP A 41 5.532 -5.751 4.332 1.00 0.00 O ATOM 576 CB ASP A 41 4.400 -8.268 2.703 1.00 0.00 C ATOM 577 CG ASP A 41 5.724 -8.924 3.041 1.00 0.00 C ATOM 578 OD1 ASP A 41 6.763 -8.237 2.965 1.00 0.00 O ATOM 579 OD2 ASP A 41 5.721 -10.126 3.381 1.00 0.00 O ATOM 0 H ASP A 41 1.975 -8.090 3.245 1.00 0.00 H new ATOM 0 HA ASP A 41 4.156 -7.862 4.798 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.669 -9.038 2.457 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.521 -7.648 1.815 1.00 0.00 H new ATOM 584 N VAL A 42 3.769 -5.108 3.092 1.00 0.00 N ATOM 585 CA VAL A 42 4.232 -3.733 2.947 1.00 0.00 C ATOM 586 C VAL A 42 4.146 -2.982 4.271 1.00 0.00 C ATOM 587 O VAL A 42 5.053 -2.231 4.630 1.00 0.00 O ATOM 588 CB VAL A 42 3.415 -2.974 1.884 1.00 0.00 C ATOM 589 CG1 VAL A 42 3.942 -1.557 1.717 1.00 0.00 C ATOM 590 CG2 VAL A 42 3.441 -3.721 0.559 1.00 0.00 C ATOM 0 H VAL A 42 2.883 -5.306 2.627 1.00 0.00 H new ATOM 0 HA VAL A 42 5.273 -3.782 2.627 1.00 0.00 H new ATOM 0 HB VAL A 42 2.380 -2.914 2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.353 -1.036 0.962 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.866 -1.026 2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.985 -1.591 1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.859 -3.171 -0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.471 -3.814 0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.012 -4.714 0.693 1.00 0.00 H new ATOM 600 N ARG A 43 3.050 -3.191 4.993 1.00 0.00 N ATOM 601 CA ARG A 43 2.844 -2.532 6.277 1.00 0.00 C ATOM 602 C ARG A 43 4.080 -2.670 7.162 1.00 0.00 C ATOM 603 O ARG A 43 4.435 -1.748 7.897 1.00 0.00 O ATOM 604 CB ARG A 43 1.626 -3.124 6.989 1.00 0.00 C ATOM 605 CG ARG A 43 0.325 -2.408 6.665 1.00 0.00 C ATOM 606 CD ARG A 43 -0.825 -2.935 7.509 1.00 0.00 C ATOM 607 NE ARG A 43 -0.670 -2.595 8.920 1.00 0.00 N ATOM 608 CZ ARG A 43 -1.231 -3.283 9.908 1.00 0.00 C ATOM 609 NH1 ARG A 43 -1.980 -4.343 9.640 1.00 0.00 N ATOM 610 NH2 ARG A 43 -1.043 -2.911 11.168 1.00 0.00 N ATOM 0 H ARG A 43 2.291 -3.811 4.711 1.00 0.00 H new ATOM 0 HA ARG A 43 2.667 -1.473 6.090 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.531 -4.175 6.715 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.792 -3.089 8.066 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.444 -1.338 6.837 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.091 -2.536 5.608 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.764 -2.524 7.138 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.886 -4.018 7.402 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.099 -1.784 9.161 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.127 -4.632 8.673 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.410 -4.869 10.401 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.467 -2.096 11.379 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.474 -3.440 11.926 1.00 0.00 H new ATOM 624 N TYR A 44 4.729 -3.826 7.087 1.00 0.00 N ATOM 625 CA TYR A 44 5.923 -4.086 7.883 1.00 0.00 C ATOM 626 C TYR A 44 7.156 -3.466 7.233 1.00 0.00 C ATOM 627 O TYR A 44 7.790 -2.574 7.799 1.00 0.00 O ATOM 628 CB TYR A 44 6.127 -5.591 8.058 1.00 0.00 C ATOM 629 CG TYR A 44 4.836 -6.364 8.209 1.00 0.00 C ATOM 630 CD1 TYR A 44 4.069 -6.696 7.100 1.00 0.00 C ATOM 631 CD2 TYR A 44 4.385 -6.762 9.462 1.00 0.00 C ATOM 632 CE1 TYR A 44 2.888 -7.402 7.234 1.00 0.00 C ATOM 633 CE2 TYR A 44 3.206 -7.469 9.605 1.00 0.00 C ATOM 634 CZ TYR A 44 2.461 -7.786 8.488 1.00 0.00 C ATOM 635 OH TYR A 44 1.287 -8.489 8.625 1.00 0.00 O ATOM 0 H TYR A 44 4.449 -4.599 6.483 1.00 0.00 H new ATOM 0 HA TYR A 44 5.782 -3.629 8.863 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.673 -5.977 7.198 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.750 -5.765 8.936 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.401 -6.398 6.116 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.965 -6.515 10.339 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.303 -7.652 6.361 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.870 -7.772 10.586 1.00 0.00 H new ATOM 0 HH TYR A 44 1.131 -8.683 9.573 1.00 0.00 H new ATOM 645 N LYS A 45 7.492 -3.945 6.040 1.00 0.00 N ATOM 646 CA LYS A 45 8.648 -3.439 5.310 1.00 0.00 C ATOM 647 C LYS A 45 8.648 -1.914 5.280 1.00 0.00 C ATOM 648 O LYS A 45 9.619 -1.276 5.686 1.00 0.00 O ATOM 649 CB LYS A 45 8.654 -3.987 3.881 1.00 0.00 C ATOM 650 CG LYS A 45 8.662 -5.505 3.812 1.00 0.00 C ATOM 651 CD LYS A 45 9.801 -6.094 4.626 1.00 0.00 C ATOM 652 CE LYS A 45 11.155 -5.659 4.087 1.00 0.00 C ATOM 653 NZ LYS A 45 11.429 -6.237 2.742 1.00 0.00 N ATOM 0 H LYS A 45 6.980 -4.684 5.558 1.00 0.00 H new ATOM 0 HA LYS A 45 9.547 -3.775 5.826 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.777 -3.612 3.353 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.529 -3.603 3.357 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.712 -5.892 4.181 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.754 -5.822 2.773 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.705 -5.782 5.666 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.735 -7.182 4.612 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.190 -4.571 4.029 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.938 -5.966 4.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.378 -6.662 2.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.720 -6.967 2.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.380 -5.486 2.025 1.00 0.00 H new ATOM 667 N SER A 46 7.552 -1.336 4.799 1.00 0.00 N ATOM 668 CA SER A 46 7.428 0.115 4.714 1.00 0.00 C ATOM 669 C SER A 46 7.274 0.728 6.103 1.00 0.00 C ATOM 670 O SER A 46 7.417 1.937 6.278 1.00 0.00 O ATOM 671 CB SER A 46 6.230 0.495 3.841 1.00 0.00 C ATOM 672 OG SER A 46 6.212 -0.261 2.643 1.00 0.00 O ATOM 0 H SER A 46 6.738 -1.850 4.462 1.00 0.00 H new ATOM 0 HA SER A 46 8.338 0.508 4.261 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.306 0.328 4.394 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.272 1.558 3.603 1.00 0.00 H new ATOM 0 HG SER A 46 6.267 -1.216 2.858 1.00 0.00 H new ATOM 678 N ASN A 47 6.982 -0.116 7.087 1.00 0.00 N ATOM 679 CA ASN A 47 6.808 0.342 8.461 1.00 0.00 C ATOM 680 C ASN A 47 5.725 1.413 8.544 1.00 0.00 C ATOM 681 O ASN A 47 5.790 2.313 9.383 1.00 0.00 O ATOM 682 CB ASN A 47 8.127 0.891 9.008 1.00 0.00 C ATOM 683 CG ASN A 47 8.977 -0.185 9.656 1.00 0.00 C ATOM 684 OD1 ASN A 47 9.919 -0.697 9.050 1.00 0.00 O ATOM 685 ND2 ASN A 47 8.647 -0.533 10.894 1.00 0.00 N ATOM 0 H ASN A 47 6.861 -1.121 6.959 1.00 0.00 H new ATOM 0 HA ASN A 47 6.498 -0.510 9.066 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.689 1.354 8.197 1.00 0.00 H new ATOM 0 HB3 ASN A 47 7.917 1.673 9.738 1.00 0.00 H new ATOM 0 HD21 ASN A 47 9.182 -1.252 11.382 1.00 0.00 H new ATOM 0 HD22 ASN A 47 7.858 -0.082 11.358 1.00 0.00 H new ATOM 692 N LEU A 48 4.730 1.310 7.670 1.00 0.00 N ATOM 693 CA LEU A 48 3.632 2.269 7.644 1.00 0.00 C ATOM 694 C LEU A 48 2.305 1.587 7.962 1.00 0.00 C ATOM 695 O LEU A 48 2.140 0.380 7.780 1.00 0.00 O ATOM 696 CB LEU A 48 3.553 2.948 6.276 1.00 0.00 C ATOM 697 CG LEU A 48 4.598 4.031 6.003 1.00 0.00 C ATOM 698 CD1 LEU A 48 4.707 4.304 4.511 1.00 0.00 C ATOM 699 CD2 LEU A 48 4.252 5.307 6.756 1.00 0.00 C ATOM 0 H LEU A 48 4.661 0.572 6.970 1.00 0.00 H new ATOM 0 HA LEU A 48 3.824 3.023 8.407 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.644 2.181 5.506 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.563 3.391 6.169 1.00 0.00 H new ATOM 0 HG LEU A 48 5.565 3.674 6.358 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.455 5.077 4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.002 3.390 3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.742 4.640 4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.006 6.067 6.550 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.276 5.667 6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.226 5.102 7.826 1.00 0.00 H new ATOM 711 N PRO A 49 1.335 2.375 8.448 1.00 0.00 N ATOM 712 CA PRO A 49 0.005 1.869 8.799 1.00 0.00 C ATOM 713 C PRO A 49 -0.804 1.464 7.572 1.00 0.00 C ATOM 714 O PRO A 49 -0.570 1.961 6.469 1.00 0.00 O ATOM 715 CB PRO A 49 -0.653 3.058 9.504 1.00 0.00 C ATOM 716 CG PRO A 49 0.047 4.255 8.959 1.00 0.00 C ATOM 717 CD PRO A 49 1.462 3.822 8.691 1.00 0.00 C ATOM 0 HA PRO A 49 0.061 0.970 9.412 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.723 3.097 9.299 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.538 2.990 10.586 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.433 4.605 8.045 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.020 5.080 9.670 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.884 4.339 7.829 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.114 4.032 9.539 1.00 0.00 H new ATOM 725 N LEU A 50 -1.757 0.559 7.769 1.00 0.00 N ATOM 726 CA LEU A 50 -2.601 0.087 6.677 1.00 0.00 C ATOM 727 C LEU A 50 -3.127 1.256 5.851 1.00 0.00 C ATOM 728 O LEU A 50 -3.034 1.255 4.623 1.00 0.00 O ATOM 729 CB LEU A 50 -3.771 -0.730 7.228 1.00 0.00 C ATOM 730 CG LEU A 50 -4.651 -1.426 6.190 1.00 0.00 C ATOM 731 CD1 LEU A 50 -5.616 -0.436 5.556 1.00 0.00 C ATOM 732 CD2 LEU A 50 -3.793 -2.094 5.125 1.00 0.00 C ATOM 0 H LEU A 50 -1.964 0.138 8.675 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.995 -0.547 6.030 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.373 -1.487 7.904 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.400 -0.069 7.824 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.234 -2.196 6.695 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.234 -0.951 4.820 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.254 -0.005 6.327 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.053 0.358 5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.436 -2.585 4.394 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.183 -1.342 4.624 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.144 -2.835 5.592 1.00 0.00 H new ATOM 744 N THR A 51 -3.678 2.256 6.533 1.00 0.00 N ATOM 745 CA THR A 51 -4.217 3.433 5.863 1.00 0.00 C ATOM 746 C THR A 51 -3.178 4.069 4.947 1.00 0.00 C ATOM 747 O THR A 51 -3.522 4.745 3.978 1.00 0.00 O ATOM 748 CB THR A 51 -4.703 4.484 6.878 1.00 0.00 C ATOM 749 OG1 THR A 51 -5.340 5.568 6.193 1.00 0.00 O ATOM 750 CG2 THR A 51 -3.542 5.013 7.706 1.00 0.00 C ATOM 0 H THR A 51 -3.763 2.274 7.549 1.00 0.00 H new ATOM 0 HA THR A 51 -5.065 3.096 5.266 1.00 0.00 H new ATOM 0 HB THR A 51 -5.419 4.007 7.548 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.648 6.231 6.845 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.909 5.754 8.416 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.077 4.190 8.249 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.806 5.475 7.048 1.00 0.00 H new ATOM 758 N GLU A 52 -1.905 3.847 5.260 1.00 0.00 N ATOM 759 CA GLU A 52 -0.815 4.400 4.464 1.00 0.00 C ATOM 760 C GLU A 52 -0.456 3.467 3.311 1.00 0.00 C ATOM 761 O GLU A 52 -0.176 3.917 2.200 1.00 0.00 O ATOM 762 CB GLU A 52 0.415 4.642 5.342 1.00 0.00 C ATOM 763 CG GLU A 52 0.392 5.976 6.068 1.00 0.00 C ATOM 764 CD GLU A 52 0.625 7.151 5.137 1.00 0.00 C ATOM 765 OE1 GLU A 52 1.532 7.059 4.284 1.00 0.00 O ATOM 766 OE2 GLU A 52 -0.098 8.161 5.263 1.00 0.00 O ATOM 0 H GLU A 52 -1.603 3.289 6.058 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.148 5.351 4.048 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.490 3.840 6.076 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.310 4.591 4.721 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.570 6.097 6.567 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.156 5.976 6.845 1.00 0.00 H new ATOM 773 N ILE A 53 -0.467 2.167 3.585 1.00 0.00 N ATOM 774 CA ILE A 53 -0.143 1.171 2.571 1.00 0.00 C ATOM 775 C ILE A 53 -1.230 1.099 1.504 1.00 0.00 C ATOM 776 O ILE A 53 -0.947 0.855 0.332 1.00 0.00 O ATOM 777 CB ILE A 53 0.043 -0.225 3.193 1.00 0.00 C ATOM 778 CG1 ILE A 53 1.412 -0.329 3.869 1.00 0.00 C ATOM 779 CG2 ILE A 53 -0.111 -1.303 2.131 1.00 0.00 C ATOM 780 CD1 ILE A 53 1.586 0.624 5.031 1.00 0.00 C ATOM 0 H ILE A 53 -0.697 1.779 4.500 1.00 0.00 H new ATOM 0 HA ILE A 53 0.795 1.483 2.111 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.727 -0.374 3.950 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.557 -1.350 4.222 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.189 -0.134 3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.023 -2.284 2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.106 -1.240 1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.639 -1.158 1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.579 0.495 5.462 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.473 1.650 4.680 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.832 0.415 5.789 1.00 0.00 H new ATOM 792 N ASN A 54 -2.474 1.315 1.919 1.00 0.00 N ATOM 793 CA ASN A 54 -3.604 1.276 0.998 1.00 0.00 C ATOM 794 C ASN A 54 -3.542 2.438 0.012 1.00 0.00 C ATOM 795 O ASN A 54 -3.605 2.241 -1.202 1.00 0.00 O ATOM 796 CB ASN A 54 -4.922 1.320 1.774 1.00 0.00 C ATOM 797 CG ASN A 54 -5.420 -0.063 2.147 1.00 0.00 C ATOM 798 OD1 ASN A 54 -4.510 -0.915 2.606 1.00 0.00 O flip ATOM 799 ND2 ASN A 54 -6.608 -0.361 2.024 1.00 0.00 N flip ATOM 0 H ASN A 54 -2.725 1.519 2.886 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.552 0.343 0.436 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.788 1.911 2.680 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.678 1.825 1.173 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.272 0.326 1.667 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -6.929 -1.295 2.279 1.00 0.00 H new ATOM 806 N LYS A 55 -3.419 3.651 0.541 1.00 0.00 N ATOM 807 CA LYS A 55 -3.346 4.846 -0.291 1.00 0.00 C ATOM 808 C LYS A 55 -2.073 4.848 -1.130 1.00 0.00 C ATOM 809 O LYS A 55 -2.097 5.201 -2.310 1.00 0.00 O ATOM 810 CB LYS A 55 -3.398 6.103 0.581 1.00 0.00 C ATOM 811 CG LYS A 55 -2.137 6.328 1.398 1.00 0.00 C ATOM 812 CD LYS A 55 -2.162 7.676 2.100 1.00 0.00 C ATOM 813 CE LYS A 55 -3.134 7.677 3.269 1.00 0.00 C ATOM 814 NZ LYS A 55 -3.431 9.058 3.742 1.00 0.00 N ATOM 0 H LYS A 55 -3.368 3.832 1.543 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.203 4.843 -0.964 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.568 6.971 -0.056 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.251 6.032 1.256 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.034 5.533 2.137 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.265 6.272 0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.161 7.920 2.457 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.445 8.452 1.389 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.061 7.188 2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.716 7.094 4.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.097 9.016 4.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.550 9.516 4.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.854 9.607 2.967 1.00 0.00 H new ATOM 828 N ILE A 56 -0.964 4.451 -0.515 1.00 0.00 N ATOM 829 CA ILE A 56 0.318 4.406 -1.208 1.00 0.00 C ATOM 830 C ILE A 56 0.308 3.358 -2.316 1.00 0.00 C ATOM 831 O ILE A 56 0.561 3.668 -3.481 1.00 0.00 O ATOM 832 CB ILE A 56 1.472 4.096 -0.236 1.00 0.00 C ATOM 833 CG1 ILE A 56 1.688 5.269 0.724 1.00 0.00 C ATOM 834 CG2 ILE A 56 2.748 3.795 -1.007 1.00 0.00 C ATOM 835 CD1 ILE A 56 2.347 4.871 2.026 1.00 0.00 C ATOM 0 H ILE A 56 -0.927 4.156 0.461 1.00 0.00 H new ATOM 0 HA ILE A 56 0.475 5.392 -1.645 1.00 0.00 H new ATOM 0 HB ILE A 56 1.208 3.215 0.349 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.302 6.023 0.231 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.726 5.733 0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.554 3.578 -0.306 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.587 2.932 -1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.018 4.659 -1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.469 5.752 2.656 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.724 4.140 2.541 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.324 4.434 1.821 1.00 0.00 H new ATOM 847 N LEU A 57 0.011 2.117 -1.946 1.00 0.00 N ATOM 848 CA LEU A 57 -0.035 1.022 -2.910 1.00 0.00 C ATOM 849 C LEU A 57 -0.838 1.418 -4.145 1.00 0.00 C ATOM 850 O LEU A 57 -0.437 1.140 -5.275 1.00 0.00 O ATOM 851 CB LEU A 57 -0.647 -0.223 -2.266 1.00 0.00 C ATOM 852 CG LEU A 57 0.276 -1.026 -1.349 1.00 0.00 C ATOM 853 CD1 LEU A 57 -0.482 -2.178 -0.705 1.00 0.00 C ATOM 854 CD2 LEU A 57 1.479 -1.544 -2.122 1.00 0.00 C ATOM 0 H LEU A 57 -0.201 1.844 -0.987 1.00 0.00 H new ATOM 0 HA LEU A 57 0.986 0.799 -3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.521 0.082 -1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.001 -0.881 -3.059 1.00 0.00 H new ATOM 0 HG LEU A 57 0.634 -0.366 -0.559 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.191 -2.738 -0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.310 -1.784 -0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.870 -2.837 -1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.124 -2.113 -1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.140 -2.188 -2.934 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.036 -0.703 -2.535 1.00 0.00 H new ATOM 866 N LYS A 58 -1.974 2.070 -3.922 1.00 0.00 N ATOM 867 CA LYS A 58 -2.833 2.507 -5.016 1.00 0.00 C ATOM 868 C LYS A 58 -2.158 3.605 -5.831 1.00 0.00 C ATOM 869 O LYS A 58 -1.880 3.429 -7.017 1.00 0.00 O ATOM 870 CB LYS A 58 -4.171 3.011 -4.471 1.00 0.00 C ATOM 871 CG LYS A 58 -5.334 2.804 -5.426 1.00 0.00 C ATOM 872 CD LYS A 58 -6.007 1.460 -5.202 1.00 0.00 C ATOM 873 CE LYS A 58 -7.204 1.276 -6.122 1.00 0.00 C ATOM 874 NZ LYS A 58 -6.789 1.043 -7.533 1.00 0.00 N ATOM 0 H LYS A 58 -2.321 2.308 -2.993 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.012 1.652 -5.668 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.387 2.500 -3.533 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.084 4.073 -4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.063 3.604 -5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.977 2.867 -6.454 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.288 0.659 -5.374 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.329 1.382 -4.164 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.802 0.433 -5.776 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.840 2.160 -6.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.632 0.889 -8.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.269 1.873 -7.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.176 0.205 -7.580 1.00 0.00 H new ATOM 888 N ASN A 59 -1.897 4.739 -5.188 1.00 0.00 N ATOM 889 CA ASN A 59 -1.254 5.865 -5.854 1.00 0.00 C ATOM 890 C ASN A 59 -0.233 5.380 -6.879 1.00 0.00 C ATOM 891 O ASN A 59 -0.252 5.800 -8.037 1.00 0.00 O ATOM 892 CB ASN A 59 -0.571 6.770 -4.827 1.00 0.00 C ATOM 893 CG ASN A 59 -1.488 7.869 -4.325 1.00 0.00 C ATOM 894 OD1 ASN A 59 -1.767 8.834 -5.038 1.00 0.00 O ATOM 895 ND2 ASN A 59 -1.961 7.728 -3.092 1.00 0.00 N ATOM 0 H ASN A 59 -2.121 4.902 -4.206 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.024 6.434 -6.375 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.234 6.168 -3.983 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.317 7.217 -5.274 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.582 8.436 -2.700 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.703 6.912 -2.537 1.00 0.00 H new ATOM 902 N LEU A 60 0.657 4.495 -6.446 1.00 0.00 N ATOM 903 CA LEU A 60 1.686 3.951 -7.325 1.00 0.00 C ATOM 904 C LEU A 60 1.063 3.311 -8.562 1.00 0.00 C ATOM 905 O LEU A 60 1.549 3.493 -9.678 1.00 0.00 O ATOM 906 CB LEU A 60 2.534 2.921 -6.576 1.00 0.00 C ATOM 907 CG LEU A 60 3.351 3.454 -5.398 1.00 0.00 C ATOM 908 CD1 LEU A 60 3.870 2.306 -4.546 1.00 0.00 C ATOM 909 CD2 LEU A 60 4.503 4.315 -5.895 1.00 0.00 C ATOM 0 H LEU A 60 0.687 4.138 -5.491 1.00 0.00 H new ATOM 0 HA LEU A 60 2.325 4.773 -7.647 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.874 2.135 -6.209 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.218 2.457 -7.287 1.00 0.00 H new ATOM 0 HG LEU A 60 2.701 4.073 -4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.449 2.704 -3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.029 1.730 -4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.505 1.660 -5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.074 4.686 -5.044 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.153 3.719 -6.535 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.109 5.158 -6.462 1.00 0.00 H new ATOM 921 N GLU A 61 -0.016 2.563 -8.355 1.00 0.00 N ATOM 922 CA GLU A 61 -0.706 1.897 -9.454 1.00 0.00 C ATOM 923 C GLU A 61 -1.234 2.915 -10.461 1.00 0.00 C ATOM 924 O GLU A 61 -1.551 2.571 -11.599 1.00 0.00 O ATOM 925 CB GLU A 61 -1.859 1.046 -8.920 1.00 0.00 C ATOM 926 CG GLU A 61 -1.411 -0.267 -8.301 1.00 0.00 C ATOM 927 CD GLU A 61 -2.573 -1.184 -7.972 1.00 0.00 C ATOM 928 OE1 GLU A 61 -3.544 -0.709 -7.346 1.00 0.00 O ATOM 929 OE2 GLU A 61 -2.512 -2.376 -8.340 1.00 0.00 O ATOM 0 H GLU A 61 -0.431 2.403 -7.437 1.00 0.00 H new ATOM 0 HA GLU A 61 0.010 1.249 -9.960 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.408 1.621 -8.174 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.552 0.836 -9.735 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.735 -0.776 -8.988 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.846 -0.062 -7.391 1.00 0.00 H new ATOM 936 N SER A 62 -1.326 4.170 -10.032 1.00 0.00 N ATOM 937 CA SER A 62 -1.820 5.238 -10.893 1.00 0.00 C ATOM 938 C SER A 62 -0.673 5.900 -11.649 1.00 0.00 C ATOM 939 O SER A 62 -0.863 6.449 -12.735 1.00 0.00 O ATOM 940 CB SER A 62 -2.571 6.283 -10.066 1.00 0.00 C ATOM 941 OG SER A 62 -3.578 6.916 -10.837 1.00 0.00 O ATOM 0 H SER A 62 -1.065 4.472 -9.093 1.00 0.00 H new ATOM 0 HA SER A 62 -2.505 4.799 -11.618 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.021 5.807 -9.195 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.870 7.030 -9.694 1.00 0.00 H new ATOM 0 HG SER A 62 -4.044 7.578 -10.285 1.00 0.00 H new ATOM 947 N LYS A 63 0.521 5.844 -11.068 1.00 0.00 N ATOM 948 CA LYS A 63 1.702 6.437 -11.685 1.00 0.00 C ATOM 949 C LYS A 63 2.439 5.413 -12.543 1.00 0.00 C ATOM 950 O LYS A 63 3.617 5.585 -12.858 1.00 0.00 O ATOM 951 CB LYS A 63 2.641 6.989 -10.611 1.00 0.00 C ATOM 952 CG LYS A 63 1.954 7.909 -9.616 1.00 0.00 C ATOM 953 CD LYS A 63 2.686 7.937 -8.285 1.00 0.00 C ATOM 954 CE LYS A 63 2.520 9.277 -7.586 1.00 0.00 C ATOM 955 NZ LYS A 63 3.217 10.373 -8.315 1.00 0.00 N ATOM 0 H LYS A 63 0.696 5.394 -10.170 1.00 0.00 H new ATOM 0 HA LYS A 63 1.374 7.255 -12.327 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.092 6.156 -10.071 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.453 7.532 -11.095 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.904 8.918 -10.026 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.927 7.577 -9.461 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.307 7.141 -7.643 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.745 7.739 -8.447 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.459 9.514 -7.502 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.913 9.209 -6.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.422 11.152 -7.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.108 10.013 -8.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.609 10.720 -9.084 1.00 0.00 H new ATOM 969 N LYS A 64 1.738 4.349 -12.919 1.00 0.00 N ATOM 970 CA LYS A 64 2.324 3.298 -13.743 1.00 0.00 C ATOM 971 C LYS A 64 3.611 2.770 -13.116 1.00 0.00 C ATOM 972 O LYS A 64 4.532 2.357 -13.821 1.00 0.00 O ATOM 973 CB LYS A 64 2.609 3.826 -15.151 1.00 0.00 C ATOM 974 CG LYS A 64 1.359 4.035 -15.987 1.00 0.00 C ATOM 975 CD LYS A 64 1.561 5.121 -17.031 1.00 0.00 C ATOM 976 CE LYS A 64 2.205 4.567 -18.293 1.00 0.00 C ATOM 977 NZ LYS A 64 1.206 3.920 -19.187 1.00 0.00 N ATOM 0 H LYS A 64 0.762 4.191 -12.666 1.00 0.00 H new ATOM 0 HA LYS A 64 1.609 2.478 -13.807 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.146 4.771 -15.074 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.267 3.126 -15.666 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.090 3.101 -16.480 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.526 4.304 -15.337 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.600 5.572 -17.279 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.187 5.912 -16.619 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.704 5.373 -18.830 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.972 3.842 -18.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.684 3.555 -20.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.747 3.134 -18.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.488 4.618 -19.467 1.00 0.00 H new ATOM 991 N LEU A 65 3.666 2.784 -11.789 1.00 0.00 N ATOM 992 CA LEU A 65 4.839 2.304 -11.067 1.00 0.00 C ATOM 993 C LEU A 65 4.654 0.855 -10.628 1.00 0.00 C ATOM 994 O LEU A 65 5.624 0.109 -10.489 1.00 0.00 O ATOM 995 CB LEU A 65 5.109 3.188 -9.848 1.00 0.00 C ATOM 996 CG LEU A 65 5.287 4.680 -10.127 1.00 0.00 C ATOM 997 CD1 LEU A 65 5.137 5.485 -8.845 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.642 4.945 -10.769 1.00 0.00 C ATOM 0 H LEU A 65 2.912 3.122 -11.191 1.00 0.00 H new ATOM 0 HA LEU A 65 5.695 2.353 -11.741 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.284 3.066 -9.146 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.007 2.822 -9.351 1.00 0.00 H new ATOM 0 HG LEU A 65 4.509 4.995 -10.823 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.267 6.545 -9.064 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.144 5.320 -8.426 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.892 5.168 -8.126 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.751 6.012 -10.961 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.434 4.614 -10.097 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.712 4.399 -11.710 1.00 0.00 H new ATOM 1010 N ILE A 66 3.403 0.463 -10.414 1.00 0.00 N ATOM 1011 CA ILE A 66 3.090 -0.898 -9.994 1.00 0.00 C ATOM 1012 C ILE A 66 1.688 -1.302 -10.438 1.00 0.00 C ATOM 1013 O ILE A 66 0.953 -0.501 -11.017 1.00 0.00 O ATOM 1014 CB ILE A 66 3.198 -1.054 -8.466 1.00 0.00 C ATOM 1015 CG1 ILE A 66 2.067 -0.292 -7.772 1.00 0.00 C ATOM 1016 CG2 ILE A 66 4.553 -0.563 -7.977 1.00 0.00 C ATOM 1017 CD1 ILE A 66 1.852 -0.707 -6.334 1.00 0.00 C ATOM 0 H ILE A 66 2.589 1.068 -10.524 1.00 0.00 H new ATOM 0 HA ILE A 66 3.821 -1.551 -10.470 1.00 0.00 H new ATOM 0 HB ILE A 66 3.105 -2.111 -8.217 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.286 0.775 -7.805 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.142 -0.445 -8.328 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.614 -0.680 -6.895 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.343 -1.146 -8.450 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.674 0.489 -8.236 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.035 -0.126 -5.906 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.602 -1.767 -6.295 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.763 -0.528 -5.763 1.00 0.00 H new ATOM 1029 N LYS A 67 1.323 -2.549 -10.161 1.00 0.00 N ATOM 1030 CA LYS A 67 0.008 -3.060 -10.528 1.00 0.00 C ATOM 1031 C LYS A 67 -0.445 -4.144 -9.556 1.00 0.00 C ATOM 1032 O LYS A 67 0.368 -4.728 -8.840 1.00 0.00 O ATOM 1033 CB LYS A 67 0.034 -3.617 -11.953 1.00 0.00 C ATOM 1034 CG LYS A 67 1.140 -4.630 -12.190 1.00 0.00 C ATOM 1035 CD LYS A 67 1.199 -5.061 -13.646 1.00 0.00 C ATOM 1036 CE LYS A 67 1.913 -6.395 -13.804 1.00 0.00 C ATOM 1037 NZ LYS A 67 0.971 -7.544 -13.704 1.00 0.00 N ATOM 0 H LYS A 67 1.920 -3.225 -9.683 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.701 -2.234 -10.480 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -0.927 -4.084 -12.169 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.153 -2.791 -12.655 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.098 -4.199 -11.898 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.977 -5.503 -11.558 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.188 -5.139 -14.045 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.715 -4.300 -14.231 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.420 -6.424 -14.769 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.682 -6.488 -13.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.435 -8.331 -13.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.123 -7.253 -13.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.697 -7.852 -14.659 1.00 0.00 H new ATOM 1051 N ALA A 68 -1.748 -4.409 -9.536 1.00 0.00 N ATOM 1052 CA ALA A 68 -2.308 -5.425 -8.654 1.00 0.00 C ATOM 1053 C ALA A 68 -2.534 -6.736 -9.401 1.00 0.00 C ATOM 1054 O ALA A 68 -3.171 -6.760 -10.454 1.00 0.00 O ATOM 1055 CB ALA A 68 -3.610 -4.933 -8.041 1.00 0.00 C ATOM 0 H ALA A 68 -2.435 -3.934 -10.121 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.591 -5.612 -7.854 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.017 -5.702 -7.385 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.421 -4.027 -7.465 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.326 -4.716 -8.834 1.00 0.00 H new ATOM 1061 N VAL A 69 -2.008 -7.824 -8.849 1.00 0.00 N ATOM 1062 CA VAL A 69 -2.153 -9.139 -9.463 1.00 0.00 C ATOM 1063 C VAL A 69 -2.787 -10.131 -8.494 1.00 0.00 C ATOM 1064 O VAL A 69 -2.561 -10.066 -7.285 1.00 0.00 O ATOM 1065 CB VAL A 69 -0.795 -9.693 -9.932 1.00 0.00 C ATOM 1066 CG1 VAL A 69 -0.951 -11.107 -10.470 1.00 0.00 C ATOM 1067 CG2 VAL A 69 -0.182 -8.779 -10.983 1.00 0.00 C ATOM 0 H VAL A 69 -1.478 -7.821 -7.978 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.804 -9.014 -10.328 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.122 -9.729 -9.076 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.019 -11.481 -10.796 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.344 -11.754 -9.685 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.640 -11.101 -11.314 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.777 -9.185 -11.304 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.852 -8.710 -11.840 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.032 -7.786 -10.559 1.00 0.00 H new ATOM 1223 N VAL A 79 -2.055 -8.881 -4.437 1.00 0.00 N ATOM 1224 CA VAL A 79 -0.614 -8.768 -4.632 1.00 0.00 C ATOM 1225 C VAL A 79 -0.270 -7.560 -5.495 1.00 0.00 C ATOM 1226 O VAL A 79 -1.082 -7.109 -6.303 1.00 0.00 O ATOM 1227 CB VAL A 79 -0.036 -10.036 -5.288 1.00 0.00 C ATOM 1228 CG1 VAL A 79 1.484 -9.992 -5.288 1.00 0.00 C ATOM 1229 CG2 VAL A 79 -0.541 -11.282 -4.575 1.00 0.00 C ATOM 0 HA VAL A 79 -0.169 -8.644 -3.645 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.375 -10.075 -6.323 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.874 -10.896 -5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.823 -9.120 -5.847 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.846 -9.929 -4.262 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.123 -12.169 -5.052 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.234 -11.253 -3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.629 -11.318 -4.632 1.00 0.00 H new ATOM 1239 N TYR A 80 0.941 -7.041 -5.320 1.00 0.00 N ATOM 1240 CA TYR A 80 1.393 -5.883 -6.082 1.00 0.00 C ATOM 1241 C TYR A 80 2.817 -6.088 -6.590 1.00 0.00 C ATOM 1242 O TYR A 80 3.687 -6.558 -5.858 1.00 0.00 O ATOM 1243 CB TYR A 80 1.324 -4.621 -5.221 1.00 0.00 C ATOM 1244 CG TYR A 80 -0.084 -4.228 -4.836 1.00 0.00 C ATOM 1245 CD1 TYR A 80 -0.845 -3.403 -5.655 1.00 0.00 C ATOM 1246 CD2 TYR A 80 -0.654 -4.682 -3.653 1.00 0.00 C ATOM 1247 CE1 TYR A 80 -2.132 -3.040 -5.306 1.00 0.00 C ATOM 1248 CE2 TYR A 80 -1.941 -4.326 -3.297 1.00 0.00 C ATOM 1249 CZ TYR A 80 -2.675 -3.504 -4.126 1.00 0.00 C ATOM 1250 OH TYR A 80 -3.957 -3.147 -3.776 1.00 0.00 O ATOM 0 H TYR A 80 1.626 -7.404 -4.658 1.00 0.00 H new ATOM 0 HA TYR A 80 0.733 -5.765 -6.941 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.910 -4.777 -4.315 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.788 -3.796 -5.762 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.423 -3.039 -6.580 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.081 -5.324 -3.000 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.709 -2.397 -5.954 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.370 -4.690 -2.375 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.188 -3.559 -2.917 1.00 0.00 H new ATOM 1260 N MET A 81 3.046 -5.731 -7.850 1.00 0.00 N ATOM 1261 CA MET A 81 4.364 -5.874 -8.457 1.00 0.00 C ATOM 1262 C MET A 81 4.618 -4.764 -9.472 1.00 0.00 C ATOM 1263 O MET A 81 3.693 -4.064 -9.886 1.00 0.00 O ATOM 1264 CB MET A 81 4.493 -7.240 -9.134 1.00 0.00 C ATOM 1265 CG MET A 81 3.969 -7.263 -10.561 1.00 0.00 C ATOM 1266 SD MET A 81 4.354 -8.801 -11.417 1.00 0.00 S ATOM 1267 CE MET A 81 3.026 -9.854 -10.838 1.00 0.00 C ATOM 0 H MET A 81 2.336 -5.341 -8.470 1.00 0.00 H new ATOM 0 HA MET A 81 5.111 -5.797 -7.666 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.542 -7.538 -9.136 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.952 -7.981 -8.545 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.889 -7.119 -10.550 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.396 -6.427 -11.114 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.440 -10.794 -10.473 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.492 -9.355 -10.030 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.337 -10.055 -11.658 1.00 0.00 H new ATOM 1277 N LEU A 82 5.876 -4.609 -9.870 1.00 0.00 N ATOM 1278 CA LEU A 82 6.252 -3.584 -10.837 1.00 0.00 C ATOM 1279 C LEU A 82 5.258 -3.535 -11.993 1.00 0.00 C ATOM 1280 O LEU A 82 4.729 -4.565 -12.413 1.00 0.00 O ATOM 1281 CB LEU A 82 7.660 -3.850 -11.371 1.00 0.00 C ATOM 1282 CG LEU A 82 8.814 -3.341 -10.505 1.00 0.00 C ATOM 1283 CD1 LEU A 82 10.106 -4.060 -10.861 1.00 0.00 C ATOM 1284 CD2 LEU A 82 8.977 -1.836 -10.665 1.00 0.00 C ATOM 0 H LEU A 82 6.653 -5.180 -9.538 1.00 0.00 H new ATOM 0 HA LEU A 82 6.239 -2.619 -10.330 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.779 -4.925 -11.504 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.745 -3.395 -12.358 1.00 0.00 H new ATOM 0 HG LEU A 82 8.581 -3.552 -9.461 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.916 -3.685 -10.235 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.985 -5.130 -10.694 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.345 -3.881 -11.909 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.802 -1.491 -10.042 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.188 -1.602 -11.708 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.058 -1.336 -10.359 1.00 0.00 H new ATOM 1296 N TYR A 83 5.011 -2.335 -12.504 1.00 0.00 N ATOM 1297 CA TYR A 83 4.081 -2.152 -13.612 1.00 0.00 C ATOM 1298 C TYR A 83 4.690 -2.644 -14.921 1.00 0.00 C ATOM 1299 O TYR A 83 3.978 -3.082 -15.824 1.00 0.00 O ATOM 1300 CB TYR A 83 3.690 -0.679 -13.740 1.00 0.00 C ATOM 1301 CG TYR A 83 2.633 -0.422 -14.790 1.00 0.00 C ATOM 1302 CD1 TYR A 83 1.463 -1.171 -14.824 1.00 0.00 C ATOM 1303 CD2 TYR A 83 2.803 0.572 -15.746 1.00 0.00 C ATOM 1304 CE1 TYR A 83 0.495 -0.940 -15.782 1.00 0.00 C ATOM 1305 CE2 TYR A 83 1.839 0.811 -16.707 1.00 0.00 C ATOM 1306 CZ TYR A 83 0.687 0.052 -16.721 1.00 0.00 C ATOM 1307 OH TYR A 83 -0.275 0.286 -17.676 1.00 0.00 O ATOM 0 H TYR A 83 5.442 -1.473 -12.169 1.00 0.00 H new ATOM 0 HA TYR A 83 3.188 -2.741 -13.404 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.327 -0.323 -12.776 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.579 -0.096 -13.981 1.00 0.00 H new ATOM 0 HD1 TYR A 83 1.308 -1.947 -14.089 1.00 0.00 H new ATOM 0 HD2 TYR A 83 3.704 1.168 -15.738 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -0.408 -1.533 -15.796 1.00 0.00 H new ATOM 0 HE2 TYR A 83 1.987 1.588 -17.443 1.00 0.00 H new ATOM 0 HH TYR A 83 0.015 1.018 -18.259 1.00 0.00 H new ATOM 1317 N ASN A 84 6.013 -2.568 -15.016 1.00 0.00 N ATOM 1318 CA ASN A 84 6.720 -3.006 -16.214 1.00 0.00 C ATOM 1319 C ASN A 84 6.508 -4.497 -16.457 1.00 0.00 C ATOM 1320 O ASN A 84 6.329 -4.932 -17.596 1.00 0.00 O ATOM 1321 CB ASN A 84 8.215 -2.705 -16.088 1.00 0.00 C ATOM 1322 CG ASN A 84 8.979 -3.033 -17.356 1.00 0.00 C ATOM 1323 OD1 ASN A 84 8.490 -3.762 -18.219 1.00 0.00 O ATOM 1324 ND2 ASN A 84 10.187 -2.493 -17.475 1.00 0.00 N ATOM 0 H ASN A 84 6.617 -2.207 -14.278 1.00 0.00 H new ATOM 0 HA ASN A 84 6.316 -2.457 -17.065 1.00 0.00 H new ATOM 0 HB2 ASN A 84 8.352 -1.651 -15.847 1.00 0.00 H new ATOM 0 HB3 ASN A 84 8.630 -3.278 -15.259 1.00 0.00 H new ATOM 0 HD21 ASN A 84 10.748 -2.677 -18.307 1.00 0.00 H new ATOM 0 HD22 ASN A 84 10.553 -1.894 -16.735 1.00 0.00 H new