USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 727 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 80 LYS NZ :NH3+ 171:sc= 1.02 (180deg=-0.195) USER MOD Set 1.2: A 82 TYR OH : rot 165:sc= 0.915 USER MOD Set 2.1: A 76 MET CE :methyl -120:sc= 0 (180deg=-1.72) USER MOD Set 2.2: A 83 SER OG : rot 1:sc= -0.687 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -6:sc= 0.711 USER MOD Single : A 42 THR OG1 : rot 78:sc= 0.642 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.756 K(o=0.76,f=-0.95) USER MOD Single : A 54 ASN : amide:sc= -6.98! C(o=-7!,f=-14!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.053) USER MOD Single : A 60 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.17) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot -170:sc= -0.259 USER MOD Single : A 79 ASN : amide:sc= -0.12 K(o=-0.12,f=-1.1) USER MOD Single : A 87 TYR OH : rot 180:sc= -0.258 USER MOD Single : A 89 THR OG1 : rot 174:sc= -1.29 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.00584 USER MOD Single : A 93 SER OG : rot 173:sc= 0.699 USER MOD Single : A 94 LYS NZ :NH3+ 165:sc= -0.583 (180deg=-1.19) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 93:sc= 0.826 USER MOD Single : A 101 ASN : amide:sc= -1.65! C(o=-1.7!,f=-6.8!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.001) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 LYS NZ :NH3+ 159:sc= -0.0885 (180deg=-0.471) USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 230 N ILE A 35 1.520 8.374 9.255 1.00 0.00 N ATOM 231 CA ILE A 35 1.466 8.350 7.799 1.00 0.00 C ATOM 232 C ILE A 35 0.383 9.287 7.273 1.00 0.00 C ATOM 233 O ILE A 35 -0.760 9.244 7.725 1.00 0.00 O ATOM 234 CB ILE A 35 1.201 6.929 7.268 1.00 0.00 C ATOM 235 CG1 ILE A 35 2.376 6.008 7.603 1.00 0.00 C ATOM 236 CG2 ILE A 35 0.955 6.960 5.767 1.00 0.00 C ATOM 237 CD1 ILE A 35 2.040 4.537 7.497 1.00 0.00 C ATOM 0 HA ILE A 35 2.439 8.687 7.442 1.00 0.00 H new ATOM 0 HB ILE A 35 0.307 6.537 7.754 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.206 6.232 6.932 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.718 6.222 8.616 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.769 5.948 5.408 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.088 7.586 5.553 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.831 7.369 5.263 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.919 3.944 7.748 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.231 4.298 8.188 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.727 4.308 6.478 1.00 0.00 H new ATOM 249 N GLU A 36 0.752 10.131 6.315 1.00 0.00 N ATOM 250 CA GLU A 36 -0.188 11.078 5.728 1.00 0.00 C ATOM 251 C GLU A 36 -0.671 10.590 4.365 1.00 0.00 C ATOM 252 O GLU A 36 0.128 10.345 3.460 1.00 0.00 O ATOM 253 CB GLU A 36 0.463 12.456 5.588 1.00 0.00 C ATOM 254 CG GLU A 36 0.746 13.133 6.918 1.00 0.00 C ATOM 255 CD GLU A 36 1.958 12.550 7.621 1.00 0.00 C ATOM 256 OE1 GLU A 36 2.877 12.075 6.922 1.00 0.00 O ATOM 257 OE2 GLU A 36 1.986 12.572 8.869 1.00 0.00 O ATOM 0 H GLU A 36 1.695 10.178 5.929 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.049 11.157 6.392 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.397 12.353 5.036 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.188 13.098 4.995 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.904 14.199 6.753 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.126 13.036 7.564 1.00 0.00 H new ATOM 264 N THR A 37 -1.986 10.450 4.225 1.00 0.00 N ATOM 265 CA THR A 37 -2.576 9.990 2.975 1.00 0.00 C ATOM 266 C THR A 37 -3.569 11.010 2.428 1.00 0.00 C ATOM 267 O THR A 37 -4.281 11.667 3.186 1.00 0.00 O ATOM 268 CB THR A 37 -3.293 8.639 3.155 1.00 0.00 C ATOM 269 OG1 THR A 37 -4.454 8.805 3.976 1.00 0.00 O ATOM 270 CG2 THR A 37 -2.363 7.613 3.785 1.00 0.00 C ATOM 0 H THR A 37 -2.662 10.649 4.962 1.00 0.00 H new ATOM 0 HA THR A 37 -1.757 9.867 2.266 1.00 0.00 H new ATOM 0 HB THR A 37 -3.593 8.279 2.171 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.905 7.941 4.084 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.891 6.667 3.902 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.494 7.467 3.143 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.036 7.970 4.762 1.00 0.00 H new ATOM 278 N VAL A 38 -3.612 11.136 1.105 1.00 0.00 N ATOM 279 CA VAL A 38 -4.519 12.075 0.456 1.00 0.00 C ATOM 280 C VAL A 38 -5.856 11.415 0.136 1.00 0.00 C ATOM 281 O VAL A 38 -6.067 10.240 0.436 1.00 0.00 O ATOM 282 CB VAL A 38 -3.912 12.635 -0.844 1.00 0.00 C ATOM 283 CG1 VAL A 38 -2.690 13.486 -0.539 1.00 0.00 C ATOM 284 CG2 VAL A 38 -3.560 11.503 -1.798 1.00 0.00 C ATOM 0 H VAL A 38 -3.029 10.600 0.462 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.679 12.895 1.156 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.655 13.269 -1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.275 13.873 -1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.977 14.318 0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.940 12.878 -0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.132 11.917 -2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.835 10.841 -1.325 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.461 10.939 -2.042 1.00 0.00 H new ATOM 294 N SER A 39 -6.757 12.180 -0.473 1.00 0.00 N ATOM 295 CA SER A 39 -8.076 11.671 -0.830 1.00 0.00 C ATOM 296 C SER A 39 -8.153 11.364 -2.323 1.00 0.00 C ATOM 297 O SER A 39 -8.710 10.345 -2.731 1.00 0.00 O ATOM 298 CB SER A 39 -9.157 12.684 -0.450 1.00 0.00 C ATOM 299 OG SER A 39 -10.453 12.156 -0.675 1.00 0.00 O ATOM 0 H SER A 39 -6.597 13.154 -0.729 1.00 0.00 H new ATOM 0 HA SER A 39 -8.244 10.747 -0.277 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.050 12.958 0.599 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.026 13.596 -1.033 1.00 0.00 H new ATOM 0 HG SER A 39 -11.126 12.822 -0.423 1.00 0.00 H new ATOM 305 N TYR A 40 -7.591 12.254 -3.133 1.00 0.00 N ATOM 306 CA TYR A 40 -7.597 12.081 -4.581 1.00 0.00 C ATOM 307 C TYR A 40 -6.708 10.912 -4.994 1.00 0.00 C ATOM 308 O TYR A 40 -5.913 10.411 -4.200 1.00 0.00 O ATOM 309 CB TYR A 40 -7.128 13.363 -5.271 1.00 0.00 C ATOM 310 CG TYR A 40 -5.641 13.606 -5.147 1.00 0.00 C ATOM 311 CD1 TYR A 40 -5.093 14.097 -3.968 1.00 0.00 C ATOM 312 CD2 TYR A 40 -4.783 13.349 -6.210 1.00 0.00 C ATOM 313 CE1 TYR A 40 -3.735 14.323 -3.851 1.00 0.00 C ATOM 314 CE2 TYR A 40 -3.424 13.570 -6.101 1.00 0.00 C ATOM 315 CZ TYR A 40 -2.904 14.057 -4.920 1.00 0.00 C ATOM 316 OH TYR A 40 -1.552 14.280 -4.807 1.00 0.00 O ATOM 0 H TYR A 40 -7.125 13.103 -2.812 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.619 11.863 -4.891 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.393 13.316 -6.327 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.663 14.212 -4.846 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.740 14.306 -3.129 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.186 12.970 -7.137 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.326 14.706 -2.928 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.772 13.362 -6.936 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.362 14.707 -3.946 1.00 0.00 H new ATOM 326 N ALA A 41 -6.847 10.483 -6.244 1.00 0.00 N ATOM 327 CA ALA A 41 -6.056 9.377 -6.766 1.00 0.00 C ATOM 328 C ALA A 41 -4.581 9.752 -6.859 1.00 0.00 C ATOM 329 O ALA A 41 -4.237 10.872 -7.241 1.00 0.00 O ATOM 330 CB ALA A 41 -6.580 8.948 -8.128 1.00 0.00 C ATOM 0 H ALA A 41 -7.501 10.886 -6.915 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.148 8.540 -6.074 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.979 8.121 -8.505 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.618 8.629 -8.034 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.519 9.786 -8.822 1.00 0.00 H new ATOM 336 N THR A 42 -3.712 8.811 -6.506 1.00 0.00 N ATOM 337 CA THR A 42 -2.274 9.043 -6.547 1.00 0.00 C ATOM 338 C THR A 42 -1.530 7.806 -7.039 1.00 0.00 C ATOM 339 O THR A 42 -1.744 6.704 -6.537 1.00 0.00 O ATOM 340 CB THR A 42 -1.728 9.440 -5.162 1.00 0.00 C ATOM 341 OG1 THR A 42 -2.007 8.406 -4.212 1.00 0.00 O ATOM 342 CG2 THR A 42 -2.345 10.748 -4.692 1.00 0.00 C ATOM 0 H THR A 42 -3.979 7.879 -6.188 1.00 0.00 H new ATOM 0 HA THR A 42 -2.107 9.865 -7.244 1.00 0.00 H new ATOM 0 HB THR A 42 -0.650 9.575 -5.245 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.369 7.672 -4.331 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.944 11.008 -3.712 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.106 11.539 -5.403 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.427 10.636 -4.623 1.00 0.00 H new ATOM 350 N GLN A 43 -0.656 7.998 -8.021 1.00 0.00 N ATOM 351 CA GLN A 43 0.119 6.896 -8.579 1.00 0.00 C ATOM 352 C GLN A 43 0.723 6.039 -7.470 1.00 0.00 C ATOM 353 O GLN A 43 0.944 4.842 -7.650 1.00 0.00 O ATOM 354 CB GLN A 43 1.228 7.432 -9.486 1.00 0.00 C ATOM 355 CG GLN A 43 0.776 7.688 -10.914 1.00 0.00 C ATOM 356 CD GLN A 43 1.919 8.090 -11.826 1.00 0.00 C ATOM 357 OE1 GLN A 43 2.130 9.273 -12.091 1.00 0.00 O ATOM 358 NE2 GLN A 43 2.665 7.103 -12.310 1.00 0.00 N ATOM 0 H GLN A 43 -0.467 8.905 -8.447 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.554 6.274 -9.169 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.614 8.360 -9.064 1.00 0.00 H new ATOM 0 HB3 GLN A 43 2.053 6.720 -9.497 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.302 6.789 -11.307 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.021 8.474 -10.916 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.454 6.136 -12.064 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.449 7.312 -12.928 1.00 0.00 H new ATOM 367 N SER A 44 0.987 6.661 -6.326 1.00 0.00 N ATOM 368 CA SER A 44 1.568 5.955 -5.190 1.00 0.00 C ATOM 369 C SER A 44 0.483 5.508 -4.215 1.00 0.00 C ATOM 370 O SER A 44 -0.541 6.174 -4.059 1.00 0.00 O ATOM 371 CB SER A 44 2.580 6.850 -4.471 1.00 0.00 C ATOM 372 OG SER A 44 3.443 7.490 -5.394 1.00 0.00 O ATOM 0 H SER A 44 0.808 7.652 -6.161 1.00 0.00 H new ATOM 0 HA SER A 44 2.080 5.069 -5.567 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.052 7.600 -3.882 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.167 6.252 -3.774 1.00 0.00 H new ATOM 0 HG SER A 44 4.078 8.057 -4.909 1.00 0.00 H new ATOM 378 N LEU A 45 0.716 4.376 -3.560 1.00 0.00 N ATOM 379 CA LEU A 45 -0.240 3.838 -2.599 1.00 0.00 C ATOM 380 C LEU A 45 0.475 3.283 -1.371 1.00 0.00 C ATOM 381 O LEU A 45 1.650 2.923 -1.434 1.00 0.00 O ATOM 382 CB LEU A 45 -1.085 2.741 -3.250 1.00 0.00 C ATOM 383 CG LEU A 45 -2.014 3.190 -4.378 1.00 0.00 C ATOM 384 CD1 LEU A 45 -2.470 1.994 -5.202 1.00 0.00 C ATOM 385 CD2 LEU A 45 -3.213 3.940 -3.815 1.00 0.00 C ATOM 0 H LEU A 45 1.559 3.813 -3.677 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.893 4.651 -2.280 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.413 1.977 -3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.689 2.268 -2.476 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.461 3.866 -5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.130 2.333 -6.000 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.601 1.498 -5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.005 1.293 -4.561 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.863 4.252 -4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.766 3.287 -3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.869 4.819 -3.269 1.00 0.00 H new ATOM 397 N VAL A 46 -0.244 3.215 -0.255 1.00 0.00 N ATOM 398 CA VAL A 46 0.321 2.701 0.987 1.00 0.00 C ATOM 399 C VAL A 46 -0.464 1.495 1.491 1.00 0.00 C ATOM 400 O VAL A 46 -1.653 1.598 1.793 1.00 0.00 O ATOM 401 CB VAL A 46 0.340 3.782 2.085 1.00 0.00 C ATOM 402 CG1 VAL A 46 -1.078 4.153 2.494 1.00 0.00 C ATOM 403 CG2 VAL A 46 1.144 3.308 3.286 1.00 0.00 C ATOM 0 H VAL A 46 -1.218 3.509 -0.186 1.00 0.00 H new ATOM 0 HA VAL A 46 1.345 2.398 0.767 1.00 0.00 H new ATOM 0 HB VAL A 46 0.822 4.674 1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.045 4.918 3.270 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.617 4.538 1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.589 3.270 2.877 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.147 4.084 4.051 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.694 2.401 3.690 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.168 3.098 2.978 1.00 0.00 H new ATOM 413 N VAL A 47 0.209 0.353 1.579 1.00 0.00 N ATOM 414 CA VAL A 47 -0.425 -0.874 2.048 1.00 0.00 C ATOM 415 C VAL A 47 -0.400 -0.958 3.569 1.00 0.00 C ATOM 416 O VAL A 47 0.665 -0.995 4.182 1.00 0.00 O ATOM 417 CB VAL A 47 0.266 -2.121 1.464 1.00 0.00 C ATOM 418 CG1 VAL A 47 -0.649 -3.332 1.559 1.00 0.00 C ATOM 419 CG2 VAL A 47 0.686 -1.871 0.023 1.00 0.00 C ATOM 0 H VAL A 47 1.193 0.251 1.332 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.459 -0.847 1.706 1.00 0.00 H new ATOM 0 HB VAL A 47 1.162 -2.326 2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.144 -4.203 1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.895 -3.521 2.604 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.565 -3.141 1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.172 -2.762 -0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.194 -1.640 -0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.381 -1.032 -0.013 1.00 0.00 H new ATOM 429 N ALA A 48 -1.584 -0.989 4.174 1.00 0.00 N ATOM 430 CA ALA A 48 -1.699 -1.072 5.624 1.00 0.00 C ATOM 431 C ALA A 48 -1.759 -2.524 6.088 1.00 0.00 C ATOM 432 O ALA A 48 -1.984 -3.432 5.289 1.00 0.00 O ATOM 433 CB ALA A 48 -2.928 -0.313 6.100 1.00 0.00 C ATOM 0 H ALA A 48 -2.477 -0.958 3.681 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.811 -0.615 6.061 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.001 -0.383 7.185 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.844 0.734 5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.820 -0.745 5.647 1.00 0.00 H new ATOM 439 N ASN A 49 -1.557 -2.735 7.385 1.00 0.00 N ATOM 440 CA ASN A 49 -1.587 -4.077 7.955 1.00 0.00 C ATOM 441 C ASN A 49 -0.736 -5.038 7.130 1.00 0.00 C ATOM 442 O ASN A 49 -0.981 -6.243 7.112 1.00 0.00 O ATOM 443 CB ASN A 49 -3.027 -4.590 8.028 1.00 0.00 C ATOM 444 CG ASN A 49 -3.872 -3.802 9.011 1.00 0.00 C ATOM 445 OD1 ASN A 49 -3.357 -3.248 9.983 1.00 0.00 O ATOM 446 ND2 ASN A 49 -5.174 -3.748 8.761 1.00 0.00 N ATOM 0 H ASN A 49 -1.371 -1.994 8.061 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.174 -4.026 8.962 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.480 -4.535 7.038 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.021 -5.641 8.318 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.792 -3.232 9.387 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.556 -4.223 7.943 1.00 0.00 H new ATOM 453 N GLY A 50 0.268 -4.494 6.447 1.00 0.00 N ATOM 454 CA GLY A 50 1.142 -5.315 5.631 1.00 0.00 C ATOM 455 C GLY A 50 2.607 -5.108 5.958 1.00 0.00 C ATOM 456 O GLY A 50 3.014 -5.216 7.114 1.00 0.00 O ATOM 0 H GLY A 50 0.491 -3.499 6.445 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.886 -6.365 5.774 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.972 -5.086 4.579 1.00 0.00 H new ATOM 460 N GLY A 51 3.404 -4.809 4.936 1.00 0.00 N ATOM 461 CA GLY A 51 4.824 -4.592 5.142 1.00 0.00 C ATOM 462 C GLY A 51 5.530 -5.828 5.662 1.00 0.00 C ATOM 463 O GLY A 51 4.903 -6.707 6.255 1.00 0.00 O ATOM 0 H GLY A 51 3.091 -4.713 3.970 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.282 -4.285 4.202 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.965 -3.773 5.848 1.00 0.00 H new ATOM 467 N LEU A 52 6.838 -5.898 5.440 1.00 0.00 N ATOM 468 CA LEU A 52 7.630 -7.037 5.888 1.00 0.00 C ATOM 469 C LEU A 52 7.254 -7.435 7.312 1.00 0.00 C ATOM 470 O LEU A 52 6.973 -8.600 7.588 1.00 0.00 O ATOM 471 CB LEU A 52 9.122 -6.706 5.817 1.00 0.00 C ATOM 472 CG LEU A 52 9.657 -6.312 4.439 1.00 0.00 C ATOM 473 CD1 LEU A 52 10.978 -5.571 4.571 1.00 0.00 C ATOM 474 CD2 LEU A 52 9.820 -7.544 3.559 1.00 0.00 C ATOM 0 H LEU A 52 7.372 -5.179 4.952 1.00 0.00 H new ATOM 0 HA LEU A 52 7.418 -7.877 5.227 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.326 -5.891 6.511 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.683 -7.572 6.169 1.00 0.00 H new ATOM 0 HG LEU A 52 8.936 -5.645 3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.343 -5.299 3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.831 -4.668 5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 52 11.708 -6.214 5.063 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.201 -7.246 2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.521 -8.235 4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.854 -8.034 3.437 1.00 0.00 H new ATOM 486 N GLY A 53 7.249 -6.457 8.213 1.00 0.00 N ATOM 487 CA GLY A 53 6.903 -6.725 9.596 1.00 0.00 C ATOM 488 C GLY A 53 5.736 -7.682 9.728 1.00 0.00 C ATOM 489 O GLY A 53 5.687 -8.487 10.657 1.00 0.00 O ATOM 0 H GLY A 53 7.478 -5.484 8.009 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.770 -7.141 10.110 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.657 -5.787 10.094 1.00 0.00 H new ATOM 493 N ASN A 54 4.793 -7.595 8.796 1.00 0.00 N ATOM 494 CA ASN A 54 3.618 -8.459 8.813 1.00 0.00 C ATOM 495 C ASN A 54 3.889 -9.759 8.059 1.00 0.00 C ATOM 496 O ASN A 54 2.988 -10.333 7.448 1.00 0.00 O ATOM 497 CB ASN A 54 2.419 -7.738 8.196 1.00 0.00 C ATOM 498 CG ASN A 54 1.973 -6.547 9.021 1.00 0.00 C ATOM 499 OD1 ASN A 54 2.784 -5.894 9.678 1.00 0.00 O ATOM 500 ND2 ASN A 54 0.677 -6.258 8.992 1.00 0.00 N ATOM 0 H ASN A 54 4.819 -6.935 8.019 1.00 0.00 H new ATOM 0 HA ASN A 54 3.391 -8.702 9.851 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.677 -7.404 7.191 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.590 -8.438 8.096 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.319 -5.468 9.528 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.040 -6.826 8.434 1.00 0.00 H new ATOM 507 N GLY A 55 5.136 -10.216 8.106 1.00 0.00 N ATOM 508 CA GLY A 55 5.502 -11.444 7.425 1.00 0.00 C ATOM 509 C GLY A 55 5.098 -11.438 5.964 1.00 0.00 C ATOM 510 O GLY A 55 4.933 -12.494 5.353 1.00 0.00 O ATOM 0 H GLY A 55 5.900 -9.758 8.603 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.579 -11.591 7.500 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.029 -12.289 7.926 1.00 0.00 H new ATOM 514 N VAL A 56 4.939 -10.244 5.400 1.00 0.00 N ATOM 515 CA VAL A 56 4.551 -10.105 4.001 1.00 0.00 C ATOM 516 C VAL A 56 5.752 -9.753 3.131 1.00 0.00 C ATOM 517 O VAL A 56 6.208 -8.610 3.117 1.00 0.00 O ATOM 518 CB VAL A 56 3.467 -9.024 3.824 1.00 0.00 C ATOM 519 CG1 VAL A 56 3.293 -8.680 2.352 1.00 0.00 C ATOM 520 CG2 VAL A 56 2.152 -9.486 4.431 1.00 0.00 C ATOM 0 H VAL A 56 5.073 -9.360 5.890 1.00 0.00 H new ATOM 0 HA VAL A 56 4.148 -11.068 3.686 1.00 0.00 H new ATOM 0 HB VAL A 56 3.786 -8.123 4.348 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.524 -7.915 2.246 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.235 -8.305 1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.995 -9.573 1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.397 -8.711 4.297 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.824 -10.400 3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.290 -9.678 5.495 1.00 0.00 H new ATOM 530 N SER A 57 6.259 -10.743 2.403 1.00 0.00 N ATOM 531 CA SER A 57 7.410 -10.539 1.531 1.00 0.00 C ATOM 532 C SER A 57 7.013 -9.762 0.279 1.00 0.00 C ATOM 533 O SER A 57 5.828 -9.590 -0.007 1.00 0.00 O ATOM 534 CB SER A 57 8.024 -11.884 1.138 1.00 0.00 C ATOM 535 OG SER A 57 8.438 -12.610 2.282 1.00 0.00 O ATOM 0 H SER A 57 5.891 -11.694 2.400 1.00 0.00 H new ATOM 0 HA SER A 57 8.151 -9.956 2.079 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.296 -12.469 0.576 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.877 -11.719 0.480 1.00 0.00 H new ATOM 0 HG SER A 57 8.825 -13.466 2.004 1.00 0.00 H new ATOM 541 N ARG A 58 8.012 -9.297 -0.463 1.00 0.00 N ATOM 542 CA ARG A 58 7.768 -8.537 -1.683 1.00 0.00 C ATOM 543 C ARG A 58 7.179 -9.431 -2.770 1.00 0.00 C ATOM 544 O ARG A 58 6.266 -9.030 -3.490 1.00 0.00 O ATOM 545 CB ARG A 58 9.066 -7.899 -2.180 1.00 0.00 C ATOM 546 CG ARG A 58 8.973 -7.350 -3.594 1.00 0.00 C ATOM 547 CD ARG A 58 10.149 -6.445 -3.920 1.00 0.00 C ATOM 548 NE ARG A 58 10.161 -5.242 -3.091 1.00 0.00 N ATOM 549 CZ ARG A 58 11.102 -4.308 -3.165 1.00 0.00 C ATOM 550 NH1 ARG A 58 12.101 -4.435 -4.026 1.00 0.00 N ATOM 551 NH2 ARG A 58 11.043 -3.242 -2.377 1.00 0.00 N ATOM 0 H ARG A 58 8.998 -9.433 -0.241 1.00 0.00 H new ATOM 0 HA ARG A 58 7.049 -7.750 -1.454 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.346 -7.091 -1.504 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.864 -8.640 -2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.941 -8.176 -4.304 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.042 -6.794 -3.709 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.080 -6.994 -3.776 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.107 -6.160 -4.971 1.00 0.00 H new ATOM 0 HE ARG A 58 9.405 -5.112 -2.419 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.149 -5.252 -4.635 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.822 -3.716 -4.080 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.275 -3.140 -1.714 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.766 -2.525 -2.434 1.00 0.00 H new ATOM 565 N ASN A 59 7.708 -10.645 -2.883 1.00 0.00 N ATOM 566 CA ASN A 59 7.236 -11.595 -3.883 1.00 0.00 C ATOM 567 C ASN A 59 5.880 -12.172 -3.488 1.00 0.00 C ATOM 568 O ASN A 59 5.287 -12.953 -4.231 1.00 0.00 O ATOM 569 CB ASN A 59 8.251 -12.727 -4.062 1.00 0.00 C ATOM 570 CG ASN A 59 8.017 -13.517 -5.334 1.00 0.00 C ATOM 571 OD1 ASN A 59 8.481 -13.136 -6.409 1.00 0.00 O ATOM 572 ND2 ASN A 59 7.294 -14.625 -5.218 1.00 0.00 N ATOM 0 H ASN A 59 8.464 -10.994 -2.294 1.00 0.00 H new ATOM 0 HA ASN A 59 7.124 -11.063 -4.828 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.258 -12.310 -4.077 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.197 -13.399 -3.205 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.104 -15.198 -6.040 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.929 -14.903 -4.307 1.00 0.00 H new ATOM 579 N GLN A 60 5.396 -11.780 -2.313 1.00 0.00 N ATOM 580 CA GLN A 60 4.109 -12.258 -1.820 1.00 0.00 C ATOM 581 C GLN A 60 3.062 -11.151 -1.870 1.00 0.00 C ATOM 582 O GLN A 60 1.860 -11.416 -1.814 1.00 0.00 O ATOM 583 CB GLN A 60 4.251 -12.779 -0.389 1.00 0.00 C ATOM 584 CG GLN A 60 2.921 -13.086 0.280 1.00 0.00 C ATOM 585 CD GLN A 60 2.119 -14.134 -0.466 1.00 0.00 C ATOM 586 OE1 GLN A 60 1.069 -13.839 -1.036 1.00 0.00 O ATOM 587 NE2 GLN A 60 2.612 -15.367 -0.467 1.00 0.00 N ATOM 0 H GLN A 60 5.875 -11.134 -1.686 1.00 0.00 H new ATOM 0 HA GLN A 60 3.780 -13.073 -2.465 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.861 -13.682 -0.399 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.786 -12.040 0.207 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.102 -13.430 1.298 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.335 -12.170 0.352 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.486 -15.567 0.019 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.116 -16.114 -0.954 1.00 0.00 H new ATOM 596 N LEU A 61 3.524 -9.910 -1.975 1.00 0.00 N ATOM 597 CA LEU A 61 2.626 -8.762 -2.032 1.00 0.00 C ATOM 598 C LEU A 61 2.601 -8.160 -3.434 1.00 0.00 C ATOM 599 O LEU A 61 1.550 -7.741 -3.921 1.00 0.00 O ATOM 600 CB LEU A 61 3.059 -7.701 -1.018 1.00 0.00 C ATOM 601 CG LEU A 61 2.069 -6.560 -0.778 1.00 0.00 C ATOM 602 CD1 LEU A 61 0.776 -7.091 -0.180 1.00 0.00 C ATOM 603 CD2 LEU A 61 2.684 -5.503 0.128 1.00 0.00 C ATOM 0 H LEU A 61 4.515 -9.673 -2.022 1.00 0.00 H new ATOM 0 HA LEU A 61 1.621 -9.105 -1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.252 -8.195 -0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.004 -7.272 -1.352 1.00 0.00 H new ATOM 0 HG LEU A 61 1.837 -6.098 -1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.084 -6.265 -0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.327 -7.810 -0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.989 -7.580 0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.966 -4.699 0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.945 -5.952 1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.582 -5.100 -0.341 1.00 0.00 H new ATOM 615 N LEU A 62 3.763 -8.122 -4.077 1.00 0.00 N ATOM 616 CA LEU A 62 3.873 -7.575 -5.425 1.00 0.00 C ATOM 617 C LEU A 62 2.933 -8.296 -6.385 1.00 0.00 C ATOM 618 O LEU A 62 2.267 -7.682 -7.219 1.00 0.00 O ATOM 619 CB LEU A 62 5.315 -7.685 -5.924 1.00 0.00 C ATOM 620 CG LEU A 62 5.506 -7.629 -7.440 1.00 0.00 C ATOM 621 CD1 LEU A 62 5.354 -6.202 -7.945 1.00 0.00 C ATOM 622 CD2 LEU A 62 6.866 -8.191 -7.827 1.00 0.00 C ATOM 0 H LEU A 62 4.642 -8.463 -3.687 1.00 0.00 H new ATOM 0 HA LEU A 62 3.586 -6.524 -5.389 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.896 -6.880 -5.475 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.734 -8.623 -5.559 1.00 0.00 H new ATOM 0 HG LEU A 62 4.735 -8.242 -7.907 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.493 -6.182 -9.026 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.358 -5.834 -7.701 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.102 -5.567 -7.471 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.985 -8.143 -8.909 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.651 -7.605 -7.350 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.938 -9.228 -7.500 1.00 0.00 H new ATOM 634 N PRO A 63 2.876 -9.630 -6.266 1.00 0.00 N ATOM 635 CA PRO A 63 2.019 -10.465 -7.113 1.00 0.00 C ATOM 636 C PRO A 63 0.595 -9.927 -7.204 1.00 0.00 C ATOM 637 O PRO A 63 -0.039 -9.994 -8.259 1.00 0.00 O ATOM 638 CB PRO A 63 2.033 -11.822 -6.405 1.00 0.00 C ATOM 639 CG PRO A 63 3.321 -11.845 -5.657 1.00 0.00 C ATOM 640 CD PRO A 63 3.641 -10.429 -5.293 1.00 0.00 C ATOM 0 HA PRO A 63 2.376 -10.503 -8.142 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.182 -11.926 -5.732 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.976 -12.642 -7.120 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.237 -12.463 -4.763 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.114 -12.275 -6.268 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.344 -10.203 -4.269 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.710 -10.230 -5.366 1.00 0.00 H new ATOM 648 N VAL A 64 0.095 -9.393 -6.094 1.00 0.00 N ATOM 649 CA VAL A 64 -1.253 -8.841 -6.050 1.00 0.00 C ATOM 650 C VAL A 64 -1.301 -7.454 -6.678 1.00 0.00 C ATOM 651 O VAL A 64 -2.324 -7.044 -7.230 1.00 0.00 O ATOM 652 CB VAL A 64 -1.778 -8.756 -4.605 1.00 0.00 C ATOM 653 CG1 VAL A 64 -3.212 -8.248 -4.585 1.00 0.00 C ATOM 654 CG2 VAL A 64 -1.674 -10.112 -3.920 1.00 0.00 C ATOM 0 H VAL A 64 0.604 -9.331 -5.212 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.889 -9.517 -6.621 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.160 -8.047 -4.054 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.565 -8.195 -3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.253 -7.256 -5.034 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.847 -8.929 -5.152 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.049 -10.034 -2.900 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.266 -10.844 -4.470 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.632 -10.430 -3.900 1.00 0.00 H new ATOM 664 N LEU A 65 -0.189 -6.734 -6.593 1.00 0.00 N ATOM 665 CA LEU A 65 -0.102 -5.389 -7.154 1.00 0.00 C ATOM 666 C LEU A 65 0.147 -5.442 -8.658 1.00 0.00 C ATOM 667 O LEU A 65 -0.186 -4.507 -9.385 1.00 0.00 O ATOM 668 CB LEU A 65 1.015 -4.600 -6.469 1.00 0.00 C ATOM 669 CG LEU A 65 0.949 -4.532 -4.943 1.00 0.00 C ATOM 670 CD1 LEU A 65 2.301 -4.134 -4.367 1.00 0.00 C ATOM 671 CD2 LEU A 65 -0.130 -3.555 -4.499 1.00 0.00 C ATOM 0 H LEU A 65 0.666 -7.058 -6.141 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.053 -4.887 -6.978 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.971 -5.041 -6.752 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.006 -3.582 -6.859 1.00 0.00 H new ATOM 0 HG LEU A 65 0.693 -5.522 -4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.235 -4.091 -3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.051 -4.871 -4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.587 -3.155 -4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.163 -3.519 -3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.096 -2.562 -4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.097 -3.883 -4.881 1.00 0.00 H new ATOM 683 N GLU A 66 0.733 -6.544 -9.118 1.00 0.00 N ATOM 684 CA GLU A 66 1.023 -6.719 -10.535 1.00 0.00 C ATOM 685 C GLU A 66 -0.228 -7.140 -11.300 1.00 0.00 C ATOM 686 O GLU A 66 -0.541 -6.586 -12.356 1.00 0.00 O ATOM 687 CB GLU A 66 2.126 -7.762 -10.728 1.00 0.00 C ATOM 688 CG GLU A 66 3.470 -7.340 -10.156 1.00 0.00 C ATOM 689 CD GLU A 66 4.534 -8.407 -10.320 1.00 0.00 C ATOM 690 OE1 GLU A 66 4.266 -9.574 -9.964 1.00 0.00 O ATOM 691 OE2 GLU A 66 5.636 -8.075 -10.806 1.00 0.00 O ATOM 0 H GLU A 66 1.016 -7.328 -8.529 1.00 0.00 H new ATOM 0 HA GLU A 66 1.364 -5.762 -10.929 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.818 -8.696 -10.258 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.241 -7.964 -11.793 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.799 -6.425 -10.649 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.353 -7.108 -9.097 1.00 0.00 H new ATOM 698 N LYS A 67 -0.941 -8.123 -10.761 1.00 0.00 N ATOM 699 CA LYS A 67 -2.160 -8.619 -11.391 1.00 0.00 C ATOM 700 C LYS A 67 -3.131 -7.476 -11.672 1.00 0.00 C ATOM 701 O LYS A 67 -3.784 -7.447 -12.716 1.00 0.00 O ATOM 702 CB LYS A 67 -2.831 -9.664 -10.497 1.00 0.00 C ATOM 703 CG LYS A 67 -3.337 -9.102 -9.180 1.00 0.00 C ATOM 704 CD LYS A 67 -4.193 -10.113 -8.435 1.00 0.00 C ATOM 705 CE LYS A 67 -5.249 -9.428 -7.581 1.00 0.00 C ATOM 706 NZ LYS A 67 -6.436 -10.300 -7.361 1.00 0.00 N ATOM 0 H LYS A 67 -0.696 -8.592 -9.889 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.887 -9.082 -12.339 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.666 -10.110 -11.037 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.120 -10.465 -10.292 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.490 -8.812 -8.558 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.919 -8.199 -9.368 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.677 -10.778 -9.150 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.558 -10.733 -7.802 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.816 -9.154 -6.619 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.563 -8.503 -8.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.132 -9.797 -6.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.864 -10.541 -8.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.141 -11.172 -6.877 1.00 0.00 H new ATOM 720 N CYS A 68 -3.219 -6.536 -10.737 1.00 0.00 N ATOM 721 CA CYS A 68 -4.110 -5.391 -10.886 1.00 0.00 C ATOM 722 C CYS A 68 -3.517 -4.361 -11.841 1.00 0.00 C ATOM 723 O CYS A 68 -4.136 -3.996 -12.839 1.00 0.00 O ATOM 724 CB CYS A 68 -4.378 -4.748 -9.524 1.00 0.00 C ATOM 725 SG CYS A 68 -5.798 -5.441 -8.647 1.00 0.00 S ATOM 0 H CYS A 68 -2.684 -6.544 -9.868 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.052 -5.746 -11.304 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.490 -4.859 -8.901 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.538 -3.679 -9.664 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.072 -4.703 -7.613 1.00 0.00 H new ATOM 731 N GLY A 69 -2.312 -3.895 -11.526 1.00 0.00 N ATOM 732 CA GLY A 69 -1.656 -2.910 -12.366 1.00 0.00 C ATOM 733 C GLY A 69 -0.159 -3.133 -12.461 1.00 0.00 C ATOM 734 O GLY A 69 0.394 -3.987 -11.766 1.00 0.00 O ATOM 0 H GLY A 69 -1.779 -4.182 -10.705 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.089 -2.943 -13.366 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.847 -1.913 -11.969 1.00 0.00 H new ATOM 738 N LEU A 70 0.498 -2.368 -13.325 1.00 0.00 N ATOM 739 CA LEU A 70 1.940 -2.488 -13.511 1.00 0.00 C ATOM 740 C LEU A 70 2.694 -1.779 -12.389 1.00 0.00 C ATOM 741 O LEU A 70 2.602 -0.562 -12.238 1.00 0.00 O ATOM 742 CB LEU A 70 2.350 -1.904 -14.864 1.00 0.00 C ATOM 743 CG LEU A 70 1.867 -2.667 -16.098 1.00 0.00 C ATOM 744 CD1 LEU A 70 1.927 -1.780 -17.332 1.00 0.00 C ATOM 745 CD2 LEU A 70 2.693 -3.928 -16.304 1.00 0.00 C ATOM 0 H LEU A 70 0.055 -1.658 -13.908 1.00 0.00 H new ATOM 0 HA LEU A 70 2.198 -3.547 -13.486 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.976 -0.882 -14.924 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.438 -1.848 -14.899 1.00 0.00 H new ATOM 0 HG LEU A 70 0.830 -2.960 -15.937 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.580 -2.340 -18.200 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.290 -0.908 -17.184 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.954 -1.455 -17.497 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.335 -4.458 -17.187 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.740 -3.659 -16.443 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.597 -4.573 -15.430 1.00 0.00 H new ATOM 757 N VAL A 71 3.443 -2.551 -11.608 1.00 0.00 N ATOM 758 CA VAL A 71 4.217 -1.998 -10.503 1.00 0.00 C ATOM 759 C VAL A 71 5.565 -1.476 -10.983 1.00 0.00 C ATOM 760 O VAL A 71 6.479 -2.251 -11.264 1.00 0.00 O ATOM 761 CB VAL A 71 4.448 -3.048 -9.400 1.00 0.00 C ATOM 762 CG1 VAL A 71 5.283 -2.462 -8.271 1.00 0.00 C ATOM 763 CG2 VAL A 71 3.120 -3.572 -8.874 1.00 0.00 C ATOM 0 H VAL A 71 3.530 -3.561 -11.720 1.00 0.00 H new ATOM 0 HA VAL A 71 3.637 -1.172 -10.092 1.00 0.00 H new ATOM 0 HB VAL A 71 4.997 -3.885 -9.831 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.436 -3.218 -7.501 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.249 -2.141 -8.661 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.763 -1.606 -7.841 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.304 -4.313 -8.096 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.541 -2.746 -8.460 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.562 -4.033 -9.689 1.00 0.00 H new ATOM 773 N ASP A 72 5.683 -0.156 -11.074 1.00 0.00 N ATOM 774 CA ASP A 72 6.921 0.473 -11.520 1.00 0.00 C ATOM 775 C ASP A 72 7.950 0.502 -10.394 1.00 0.00 C ATOM 776 O ASP A 72 9.152 0.380 -10.635 1.00 0.00 O ATOM 777 CB ASP A 72 6.648 1.893 -12.016 1.00 0.00 C ATOM 778 CG ASP A 72 6.538 2.892 -10.880 1.00 0.00 C ATOM 779 OD1 ASP A 72 5.414 3.092 -10.374 1.00 0.00 O ATOM 780 OD2 ASP A 72 7.575 3.475 -10.498 1.00 0.00 O ATOM 0 H ASP A 72 4.936 0.500 -10.845 1.00 0.00 H new ATOM 0 HA ASP A 72 7.324 -0.118 -12.342 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.448 2.200 -12.689 1.00 0.00 H new ATOM 0 HB3 ASP A 72 5.724 1.901 -12.594 1.00 0.00 H new ATOM 785 N ALA A 73 7.471 0.666 -9.166 1.00 0.00 N ATOM 786 CA ALA A 73 8.350 0.712 -8.003 1.00 0.00 C ATOM 787 C ALA A 73 7.592 0.358 -6.729 1.00 0.00 C ATOM 788 O ALA A 73 6.595 0.999 -6.388 1.00 0.00 O ATOM 789 CB ALA A 73 8.987 2.088 -7.876 1.00 0.00 C ATOM 0 H ALA A 73 6.480 0.769 -8.950 1.00 0.00 H new ATOM 0 HA ALA A 73 9.138 -0.028 -8.144 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.640 2.107 -7.004 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.571 2.303 -8.771 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.207 2.841 -7.762 1.00 0.00 H new ATOM 795 N LEU A 74 8.068 -0.664 -6.026 1.00 0.00 N ATOM 796 CA LEU A 74 7.434 -1.102 -4.788 1.00 0.00 C ATOM 797 C LEU A 74 8.374 -0.920 -3.601 1.00 0.00 C ATOM 798 O LEU A 74 9.283 -1.722 -3.385 1.00 0.00 O ATOM 799 CB LEU A 74 7.016 -2.570 -4.899 1.00 0.00 C ATOM 800 CG LEU A 74 6.706 -3.282 -3.581 1.00 0.00 C ATOM 801 CD1 LEU A 74 5.485 -2.667 -2.916 1.00 0.00 C ATOM 802 CD2 LEU A 74 6.496 -4.770 -3.816 1.00 0.00 C ATOM 0 H LEU A 74 8.891 -1.205 -6.292 1.00 0.00 H new ATOM 0 HA LEU A 74 6.548 -0.488 -4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.134 -2.628 -5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.812 -3.116 -5.405 1.00 0.00 H new ATOM 0 HG LEU A 74 7.558 -3.157 -2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.280 -3.187 -1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.674 -1.613 -2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.624 -2.760 -3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.277 -5.261 -2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.661 -4.916 -4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.399 -5.201 -4.247 1.00 0.00 H new ATOM 814 N LEU A 75 8.147 0.140 -2.832 1.00 0.00 N ATOM 815 CA LEU A 75 8.972 0.428 -1.664 1.00 0.00 C ATOM 816 C LEU A 75 8.478 -0.344 -0.445 1.00 0.00 C ATOM 817 O LEU A 75 7.311 -0.248 -0.068 1.00 0.00 O ATOM 818 CB LEU A 75 8.966 1.928 -1.368 1.00 0.00 C ATOM 819 CG LEU A 75 9.770 2.376 -0.146 1.00 0.00 C ATOM 820 CD1 LEU A 75 11.261 2.332 -0.443 1.00 0.00 C ATOM 821 CD2 LEU A 75 9.350 3.774 0.285 1.00 0.00 C ATOM 0 H LEU A 75 7.399 0.814 -2.996 1.00 0.00 H new ATOM 0 HA LEU A 75 9.992 0.111 -1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.351 2.452 -2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.932 2.247 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 75 9.564 1.688 0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.817 2.654 0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.550 1.314 -0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.486 2.997 -1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.932 4.077 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.527 4.475 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.290 3.773 0.540 1.00 0.00 H new ATOM 833 N MET A 76 9.377 -1.109 0.169 1.00 0.00 N ATOM 834 CA MET A 76 9.033 -1.894 1.348 1.00 0.00 C ATOM 835 C MET A 76 9.997 -1.605 2.494 1.00 0.00 C ATOM 836 O MET A 76 11.100 -2.147 2.560 1.00 0.00 O ATOM 837 CB MET A 76 9.051 -3.388 1.015 1.00 0.00 C ATOM 838 CG MET A 76 7.921 -3.819 0.094 1.00 0.00 C ATOM 839 SD MET A 76 7.687 -5.606 0.071 1.00 0.00 S ATOM 840 CE MET A 76 6.848 -5.858 1.632 1.00 0.00 C ATOM 0 H MET A 76 10.348 -1.201 -0.131 1.00 0.00 H new ATOM 0 HA MET A 76 8.028 -1.611 1.662 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.004 -3.636 0.548 1.00 0.00 H new ATOM 0 HB3 MET A 76 8.992 -3.959 1.941 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.995 -3.339 0.412 1.00 0.00 H new ATOM 0 HG3 MET A 76 8.129 -3.471 -0.918 1.00 0.00 H new ATOM 0 HE1 MET A 76 7.441 -6.522 2.261 1.00 0.00 H new ATOM 0 HE2 MET A 76 6.720 -4.900 2.135 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.871 -6.306 1.452 1.00 0.00 H new ATOM 850 N PRO A 77 9.572 -0.731 3.419 1.00 0.00 N ATOM 851 CA PRO A 77 10.384 -0.351 4.580 1.00 0.00 C ATOM 852 C PRO A 77 10.530 -1.490 5.582 1.00 0.00 C ATOM 853 O PRO A 77 9.567 -2.175 5.926 1.00 0.00 O ATOM 854 CB PRO A 77 9.597 0.808 5.197 1.00 0.00 C ATOM 855 CG PRO A 77 8.189 0.583 4.766 1.00 0.00 C ATOM 856 CD PRO A 77 8.269 -0.047 3.402 1.00 0.00 C ATOM 0 HA PRO A 77 11.404 -0.089 4.298 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.683 0.810 6.284 1.00 0.00 H new ATOM 0 HB3 PRO A 77 9.969 1.770 4.846 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.666 -0.068 5.466 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.637 1.522 4.730 1.00 0.00 H new ATOM 0 HD2 PRO A 77 7.450 -0.746 3.234 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.218 0.700 2.610 1.00 0.00 H new ATOM 864 N PRO A 78 11.764 -1.698 6.066 1.00 0.00 N ATOM 865 CA PRO A 78 12.065 -2.753 7.038 1.00 0.00 C ATOM 866 C PRO A 78 11.470 -2.463 8.411 1.00 0.00 C ATOM 867 O PRO A 78 11.458 -1.320 8.863 1.00 0.00 O ATOM 868 CB PRO A 78 13.595 -2.747 7.105 1.00 0.00 C ATOM 869 CG PRO A 78 13.986 -1.366 6.705 1.00 0.00 C ATOM 870 CD PRO A 78 12.960 -0.920 5.702 1.00 0.00 C ATOM 0 HA PRO A 78 11.641 -3.713 6.742 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.948 -2.983 8.109 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.024 -3.490 6.433 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.004 -0.700 7.568 1.00 0.00 H new ATOM 0 HG3 PRO A 78 14.986 -1.353 6.272 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.776 0.152 5.766 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.279 -1.129 4.681 1.00 0.00 H new ATOM 878 N ASN A 79 10.979 -3.508 9.070 1.00 0.00 N ATOM 879 CA ASN A 79 10.381 -3.365 10.393 1.00 0.00 C ATOM 880 C ASN A 79 9.205 -2.395 10.356 1.00 0.00 C ATOM 881 O ASN A 79 9.028 -1.582 11.264 1.00 0.00 O ATOM 882 CB ASN A 79 11.427 -2.879 11.398 1.00 0.00 C ATOM 883 CG ASN A 79 11.021 -3.150 12.833 1.00 0.00 C ATOM 884 OD1 ASN A 79 10.418 -4.180 13.134 1.00 0.00 O ATOM 885 ND2 ASN A 79 11.351 -2.225 13.726 1.00 0.00 N ATOM 0 H ASN A 79 10.983 -4.462 8.710 1.00 0.00 H new ATOM 0 HA ASN A 79 10.013 -4.342 10.706 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.378 -3.370 11.194 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.585 -1.809 11.264 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.105 -2.353 14.707 1.00 0.00 H new ATOM 0 HD22 ASN A 79 11.851 -1.386 13.431 1.00 0.00 H new ATOM 892 N LYS A 80 8.402 -2.486 9.301 1.00 0.00 N ATOM 893 CA LYS A 80 7.241 -1.618 9.146 1.00 0.00 C ATOM 894 C LYS A 80 6.042 -2.402 8.621 1.00 0.00 C ATOM 895 O LYS A 80 6.102 -3.043 7.571 1.00 0.00 O ATOM 896 CB LYS A 80 7.565 -0.463 8.196 1.00 0.00 C ATOM 897 CG LYS A 80 8.469 0.593 8.808 1.00 0.00 C ATOM 898 CD LYS A 80 7.728 1.437 9.831 1.00 0.00 C ATOM 899 CE LYS A 80 8.627 2.512 10.423 1.00 0.00 C ATOM 900 NZ LYS A 80 9.063 3.498 9.396 1.00 0.00 N ATOM 0 H LYS A 80 8.534 -3.153 8.540 1.00 0.00 H new ATOM 0 HA LYS A 80 6.987 -1.214 10.126 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.042 -0.863 7.301 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.634 0.007 7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.323 0.111 9.283 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.863 1.236 8.021 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.862 1.903 9.361 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.351 0.797 10.628 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.096 3.030 11.222 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.503 2.045 10.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.544 4.294 9.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.717 3.039 8.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.233 3.850 8.878 1.00 0.00 H new ATOM 914 N PRO A 81 4.928 -2.350 9.365 1.00 0.00 N ATOM 915 CA PRO A 81 3.694 -3.049 8.992 1.00 0.00 C ATOM 916 C PRO A 81 3.024 -2.429 7.771 1.00 0.00 C ATOM 917 O PRO A 81 1.996 -2.916 7.301 1.00 0.00 O ATOM 918 CB PRO A 81 2.807 -2.886 10.229 1.00 0.00 C ATOM 919 CG PRO A 81 3.307 -1.650 10.894 1.00 0.00 C ATOM 920 CD PRO A 81 4.786 -1.606 10.628 1.00 0.00 C ATOM 0 HA PRO A 81 3.880 -4.087 8.718 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.757 -2.790 9.953 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.885 -3.750 10.889 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.812 -0.765 10.495 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.104 -1.673 11.965 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.147 -0.582 10.534 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.353 -2.071 11.434 1.00 0.00 H new ATOM 928 N TYR A 82 3.613 -1.353 7.260 1.00 0.00 N ATOM 929 CA TYR A 82 3.071 -0.666 6.094 1.00 0.00 C ATOM 930 C TYR A 82 4.136 -0.507 5.013 1.00 0.00 C ATOM 931 O TYR A 82 5.331 -0.453 5.305 1.00 0.00 O ATOM 932 CB TYR A 82 2.525 0.706 6.493 1.00 0.00 C ATOM 933 CG TYR A 82 3.580 1.647 7.028 1.00 0.00 C ATOM 934 CD1 TYR A 82 4.409 2.355 6.166 1.00 0.00 C ATOM 935 CD2 TYR A 82 3.750 1.828 8.395 1.00 0.00 C ATOM 936 CE1 TYR A 82 5.376 3.214 6.649 1.00 0.00 C ATOM 937 CE2 TYR A 82 4.713 2.687 8.888 1.00 0.00 C ATOM 938 CZ TYR A 82 5.524 3.378 8.011 1.00 0.00 C ATOM 939 OH TYR A 82 6.485 4.233 8.498 1.00 0.00 O ATOM 0 H TYR A 82 4.466 -0.938 7.635 1.00 0.00 H new ATOM 0 HA TYR A 82 2.258 -1.271 5.692 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.048 1.164 5.626 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.751 0.574 7.249 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.295 2.231 5.099 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.118 1.288 9.084 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.013 3.755 5.965 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.831 2.817 9.954 1.00 0.00 H new ATOM 0 HH TYR A 82 6.308 4.420 9.444 1.00 0.00 H new ATOM 949 N SER A 83 3.692 -0.432 3.763 1.00 0.00 N ATOM 950 CA SER A 83 4.605 -0.282 2.635 1.00 0.00 C ATOM 951 C SER A 83 4.056 0.715 1.620 1.00 0.00 C ATOM 952 O SER A 83 2.949 1.232 1.775 1.00 0.00 O ATOM 953 CB SER A 83 4.843 -1.635 1.961 1.00 0.00 C ATOM 954 OG SER A 83 5.599 -2.495 2.796 1.00 0.00 O ATOM 0 H SER A 83 2.706 -0.473 3.505 1.00 0.00 H new ATOM 0 HA SER A 83 5.553 0.099 3.015 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.886 -2.101 1.725 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.367 -1.487 1.017 1.00 0.00 H new ATOM 0 HG SER A 83 5.793 -2.041 3.643 1.00 0.00 H new ATOM 960 N PHE A 84 4.838 0.981 0.579 1.00 0.00 N ATOM 961 CA PHE A 84 4.432 1.918 -0.462 1.00 0.00 C ATOM 962 C PHE A 84 4.664 1.323 -1.849 1.00 0.00 C ATOM 963 O PHE A 84 5.727 0.769 -2.128 1.00 0.00 O ATOM 964 CB PHE A 84 5.202 3.234 -0.324 1.00 0.00 C ATOM 965 CG PHE A 84 5.150 3.814 1.060 1.00 0.00 C ATOM 966 CD1 PHE A 84 4.025 4.494 1.499 1.00 0.00 C ATOM 967 CD2 PHE A 84 6.227 3.682 1.922 1.00 0.00 C ATOM 968 CE1 PHE A 84 3.975 5.030 2.773 1.00 0.00 C ATOM 969 CE2 PHE A 84 6.182 4.215 3.196 1.00 0.00 C ATOM 970 CZ PHE A 84 5.055 4.891 3.622 1.00 0.00 C ATOM 0 H PHE A 84 5.756 0.561 0.434 1.00 0.00 H new ATOM 0 HA PHE A 84 3.367 2.115 -0.343 1.00 0.00 H new ATOM 0 HB2 PHE A 84 6.243 3.068 -0.601 1.00 0.00 H new ATOM 0 HB3 PHE A 84 4.796 3.959 -1.029 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.178 4.607 0.839 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.112 3.156 1.594 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.092 5.557 3.103 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.028 4.103 3.859 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.019 5.310 4.617 1.00 0.00 H new ATOM 980 N ALA A 85 3.662 1.445 -2.713 1.00 0.00 N ATOM 981 CA ALA A 85 3.757 0.922 -4.071 1.00 0.00 C ATOM 982 C ALA A 85 3.595 2.035 -5.100 1.00 0.00 C ATOM 983 O ALA A 85 3.002 3.075 -4.816 1.00 0.00 O ATOM 984 CB ALA A 85 2.710 -0.161 -4.293 1.00 0.00 C ATOM 0 H ALA A 85 2.775 1.901 -2.497 1.00 0.00 H new ATOM 0 HA ALA A 85 4.748 0.487 -4.198 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.792 -0.543 -5.311 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.872 -0.974 -3.586 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.715 0.258 -4.142 1.00 0.00 H new ATOM 990 N ARG A 86 4.129 1.808 -6.297 1.00 0.00 N ATOM 991 CA ARG A 86 4.045 2.794 -7.368 1.00 0.00 C ATOM 992 C ARG A 86 3.655 2.131 -8.686 1.00 0.00 C ATOM 993 O ARG A 86 4.375 1.275 -9.199 1.00 0.00 O ATOM 994 CB ARG A 86 5.381 3.521 -7.526 1.00 0.00 C ATOM 995 CG ARG A 86 5.244 4.944 -8.041 1.00 0.00 C ATOM 996 CD ARG A 86 6.387 5.824 -7.560 1.00 0.00 C ATOM 997 NE ARG A 86 7.567 5.702 -8.411 1.00 0.00 N ATOM 998 CZ ARG A 86 8.553 6.591 -8.432 1.00 0.00 C ATOM 999 NH1 ARG A 86 8.501 7.662 -7.652 1.00 0.00 N ATOM 1000 NH2 ARG A 86 9.595 6.410 -9.234 1.00 0.00 N ATOM 0 H ARG A 86 4.623 0.952 -6.548 1.00 0.00 H new ATOM 0 HA ARG A 86 3.275 3.518 -7.103 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.891 3.540 -6.563 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.014 2.956 -8.210 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.223 4.937 -9.131 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.295 5.363 -7.706 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.060 6.864 -7.540 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.648 5.552 -6.537 1.00 0.00 H new ATOM 0 HE ARG A 86 7.638 4.889 -9.023 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.702 7.804 -7.034 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.260 8.343 -7.670 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.639 5.587 -9.835 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.352 7.094 -9.249 1.00 0.00 H new ATOM 1014 N TYR A 87 2.511 2.534 -9.229 1.00 0.00 N ATOM 1015 CA TYR A 87 2.024 1.978 -10.486 1.00 0.00 C ATOM 1016 C TYR A 87 2.513 2.803 -11.672 1.00 0.00 C ATOM 1017 O TYR A 87 3.090 3.877 -11.500 1.00 0.00 O ATOM 1018 CB TYR A 87 0.495 1.922 -10.484 1.00 0.00 C ATOM 1019 CG TYR A 87 -0.070 0.849 -9.580 1.00 0.00 C ATOM 1020 CD1 TYR A 87 -0.131 1.034 -8.204 1.00 0.00 C ATOM 1021 CD2 TYR A 87 -0.543 -0.348 -10.101 1.00 0.00 C ATOM 1022 CE1 TYR A 87 -0.647 0.058 -7.374 1.00 0.00 C ATOM 1023 CE2 TYR A 87 -1.061 -1.330 -9.279 1.00 0.00 C ATOM 1024 CZ TYR A 87 -1.110 -1.123 -7.917 1.00 0.00 C ATOM 1025 OH TYR A 87 -1.624 -2.099 -7.094 1.00 0.00 O ATOM 0 H TYR A 87 1.904 3.243 -8.818 1.00 0.00 H new ATOM 0 HA TYR A 87 2.418 0.966 -10.584 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.105 2.891 -10.172 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.145 1.750 -11.502 1.00 0.00 H new ATOM 0 HD1 TYR A 87 0.231 1.957 -7.776 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -0.505 -0.514 -11.167 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.688 0.218 -6.307 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.426 -2.255 -9.701 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.907 -2.866 -7.634 1.00 0.00 H new ATOM 1035 N ARG A 88 2.276 2.293 -12.876 1.00 0.00 N ATOM 1036 CA ARG A 88 2.691 2.982 -14.093 1.00 0.00 C ATOM 1037 C ARG A 88 1.653 4.017 -14.513 1.00 0.00 C ATOM 1038 O ARG A 88 1.978 5.009 -15.168 1.00 0.00 O ATOM 1039 CB ARG A 88 2.909 1.975 -15.224 1.00 0.00 C ATOM 1040 CG ARG A 88 3.168 2.623 -16.575 1.00 0.00 C ATOM 1041 CD ARG A 88 4.590 3.153 -16.674 1.00 0.00 C ATOM 1042 NE ARG A 88 4.695 4.261 -17.622 1.00 0.00 N ATOM 1043 CZ ARG A 88 5.764 5.043 -17.722 1.00 0.00 C ATOM 1044 NH1 ARG A 88 6.813 4.842 -16.935 1.00 0.00 N ATOM 1045 NH2 ARG A 88 5.785 6.030 -18.609 1.00 0.00 N ATOM 0 H ARG A 88 1.799 1.406 -13.035 1.00 0.00 H new ATOM 0 HA ARG A 88 3.629 3.497 -13.887 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.753 1.334 -14.970 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.032 1.332 -15.301 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.993 1.896 -17.368 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.462 3.439 -16.730 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.923 3.484 -15.690 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.257 2.348 -16.982 1.00 0.00 H new ATOM 0 HE ARG A 88 3.904 4.443 -18.240 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.800 4.085 -16.251 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.633 5.444 -17.014 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.980 6.189 -19.215 1.00 0.00 H new ATOM 0 HH22 ARG A 88 6.606 6.630 -18.685 1.00 0.00 H new ATOM 1059 N THR A 89 0.402 3.782 -14.132 1.00 0.00 N ATOM 1060 CA THR A 89 -0.684 4.693 -14.470 1.00 0.00 C ATOM 1061 C THR A 89 -1.659 4.843 -13.307 1.00 0.00 C ATOM 1062 O THR A 89 -1.887 3.899 -12.550 1.00 0.00 O ATOM 1063 CB THR A 89 -1.456 4.211 -15.714 1.00 0.00 C ATOM 1064 OG1 THR A 89 -1.903 2.865 -15.521 1.00 0.00 O ATOM 1065 CG2 THR A 89 -0.582 4.287 -16.956 1.00 0.00 C ATOM 0 H THR A 89 0.115 2.968 -13.589 1.00 0.00 H new ATOM 0 HA THR A 89 -0.229 5.660 -14.686 1.00 0.00 H new ATOM 0 HB THR A 89 -2.318 4.863 -15.855 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.474 2.599 -16.272 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.148 3.942 -17.821 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.267 5.318 -17.117 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.296 3.656 -16.822 1.00 0.00 H new ATOM 1073 N THR A 90 -2.233 6.034 -13.172 1.00 0.00 N ATOM 1074 CA THR A 90 -3.183 6.307 -12.101 1.00 0.00 C ATOM 1075 C THR A 90 -4.357 5.335 -12.147 1.00 0.00 C ATOM 1076 O THR A 90 -4.658 4.664 -11.160 1.00 0.00 O ATOM 1077 CB THR A 90 -3.721 7.748 -12.180 1.00 0.00 C ATOM 1078 OG1 THR A 90 -2.646 8.658 -12.442 1.00 0.00 O ATOM 1079 CG2 THR A 90 -4.418 8.137 -10.886 1.00 0.00 C ATOM 0 H THR A 90 -2.057 6.825 -13.791 1.00 0.00 H new ATOM 0 HA THR A 90 -2.645 6.179 -11.162 1.00 0.00 H new ATOM 0 HB THR A 90 -4.445 7.798 -12.993 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.996 9.572 -12.493 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.789 9.159 -10.966 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.253 7.460 -10.705 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.712 8.071 -10.058 1.00 0.00 H new ATOM 1087 N GLU A 91 -5.017 5.266 -13.298 1.00 0.00 N ATOM 1088 CA GLU A 91 -6.158 4.375 -13.471 1.00 0.00 C ATOM 1089 C GLU A 91 -5.926 3.048 -12.755 1.00 0.00 C ATOM 1090 O GLU A 91 -6.788 2.571 -12.017 1.00 0.00 O ATOM 1091 CB GLU A 91 -6.418 4.125 -14.959 1.00 0.00 C ATOM 1092 CG GLU A 91 -5.381 3.230 -15.616 1.00 0.00 C ATOM 1093 CD GLU A 91 -5.474 3.244 -17.130 1.00 0.00 C ATOM 1094 OE1 GLU A 91 -6.531 3.652 -17.655 1.00 0.00 O ATOM 1095 OE2 GLU A 91 -4.491 2.846 -17.788 1.00 0.00 O ATOM 0 H GLU A 91 -4.782 5.816 -14.124 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.032 4.857 -13.032 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.403 3.673 -15.076 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.443 5.082 -15.481 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -4.385 3.552 -15.314 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.508 2.209 -15.257 1.00 0.00 H new ATOM 1102 N GLU A 92 -4.757 2.457 -12.980 1.00 0.00 N ATOM 1103 CA GLU A 92 -4.413 1.184 -12.356 1.00 0.00 C ATOM 1104 C GLU A 92 -4.382 1.313 -10.837 1.00 0.00 C ATOM 1105 O GLU A 92 -5.081 0.590 -10.127 1.00 0.00 O ATOM 1106 CB GLU A 92 -3.057 0.692 -12.866 1.00 0.00 C ATOM 1107 CG GLU A 92 -3.003 0.506 -14.373 1.00 0.00 C ATOM 1108 CD GLU A 92 -3.710 -0.754 -14.831 1.00 0.00 C ATOM 1109 OE1 GLU A 92 -4.955 -0.736 -14.924 1.00 0.00 O ATOM 1110 OE2 GLU A 92 -3.018 -1.759 -15.096 1.00 0.00 O ATOM 0 H GLU A 92 -4.033 2.838 -13.589 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.180 0.457 -12.625 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.287 1.404 -12.569 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.819 -0.256 -12.383 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.457 1.370 -14.858 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.962 0.471 -14.694 1.00 0.00 H new ATOM 1117 N SER A 93 -3.565 2.240 -10.344 1.00 0.00 N ATOM 1118 CA SER A 93 -3.439 2.461 -8.909 1.00 0.00 C ATOM 1119 C SER A 93 -4.807 2.449 -8.234 1.00 0.00 C ATOM 1120 O SER A 93 -5.015 1.756 -7.238 1.00 0.00 O ATOM 1121 CB SER A 93 -2.736 3.792 -8.637 1.00 0.00 C ATOM 1122 OG SER A 93 -3.174 4.361 -7.416 1.00 0.00 O ATOM 0 H SER A 93 -2.981 2.849 -10.918 1.00 0.00 H new ATOM 0 HA SER A 93 -2.841 1.650 -8.493 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.658 3.637 -8.603 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.933 4.484 -9.455 1.00 0.00 H new ATOM 0 HG SER A 93 -2.626 5.146 -7.206 1.00 0.00 H new ATOM 1128 N LYS A 94 -5.738 3.221 -8.784 1.00 0.00 N ATOM 1129 CA LYS A 94 -7.087 3.300 -8.240 1.00 0.00 C ATOM 1130 C LYS A 94 -7.748 1.925 -8.220 1.00 0.00 C ATOM 1131 O LYS A 94 -8.319 1.515 -7.210 1.00 0.00 O ATOM 1132 CB LYS A 94 -7.935 4.274 -9.061 1.00 0.00 C ATOM 1133 CG LYS A 94 -7.576 5.733 -8.837 1.00 0.00 C ATOM 1134 CD LYS A 94 -7.844 6.571 -10.075 1.00 0.00 C ATOM 1135 CE LYS A 94 -9.309 6.969 -10.173 1.00 0.00 C ATOM 1136 NZ LYS A 94 -9.578 8.265 -9.489 1.00 0.00 N ATOM 0 H LYS A 94 -5.582 3.802 -9.608 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.017 3.664 -7.215 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.821 4.039 -10.119 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.986 4.125 -8.813 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.152 6.126 -7.999 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.524 5.812 -8.564 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.223 7.467 -10.050 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.558 6.010 -10.964 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.595 7.045 -11.222 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.928 6.189 -9.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.506 8.628 -9.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.575 8.121 -8.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.840 8.952 -9.744 1.00 0.00 H new ATOM 1150 N ARG A 95 -7.666 1.220 -9.342 1.00 0.00 N ATOM 1151 CA ARG A 95 -8.255 -0.110 -9.454 1.00 0.00 C ATOM 1152 C ARG A 95 -7.841 -0.989 -8.277 1.00 0.00 C ATOM 1153 O ARG A 95 -8.650 -1.748 -7.743 1.00 0.00 O ATOM 1154 CB ARG A 95 -7.836 -0.769 -10.769 1.00 0.00 C ATOM 1155 CG ARG A 95 -8.202 -2.242 -10.856 1.00 0.00 C ATOM 1156 CD ARG A 95 -7.334 -2.972 -11.869 1.00 0.00 C ATOM 1157 NE ARG A 95 -7.919 -2.949 -13.208 1.00 0.00 N ATOM 1158 CZ ARG A 95 -7.581 -3.799 -14.171 1.00 0.00 C ATOM 1159 NH1 ARG A 95 -6.667 -4.733 -13.946 1.00 0.00 N ATOM 1160 NH2 ARG A 95 -8.157 -3.715 -15.364 1.00 0.00 N ATOM 0 H ARG A 95 -7.198 1.546 -10.187 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.339 -0.001 -9.440 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.304 -0.237 -11.597 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.758 -0.663 -10.891 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.087 -2.705 -9.876 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.251 -2.342 -11.135 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -6.346 -2.513 -11.897 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -7.197 -4.005 -11.551 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.625 -2.242 -13.414 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -6.221 -4.800 -13.031 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -6.410 -5.384 -14.688 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -8.860 -2.997 -15.542 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -7.897 -4.368 -16.103 1.00 0.00 H new ATOM 1174 N ALA A 96 -6.578 -0.880 -7.880 1.00 0.00 N ATOM 1175 CA ALA A 96 -6.058 -1.663 -6.767 1.00 0.00 C ATOM 1176 C ALA A 96 -6.495 -1.074 -5.429 1.00 0.00 C ATOM 1177 O ALA A 96 -6.719 -1.803 -4.463 1.00 0.00 O ATOM 1178 CB ALA A 96 -4.540 -1.741 -6.840 1.00 0.00 C ATOM 0 H ALA A 96 -5.896 -0.257 -8.313 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.467 -2.671 -6.842 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.165 -2.329 -6.002 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.245 -2.214 -7.776 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.121 -0.736 -6.794 1.00 0.00 H new ATOM 1184 N TYR A 97 -6.611 0.248 -5.381 1.00 0.00 N ATOM 1185 CA TYR A 97 -7.019 0.935 -4.161 1.00 0.00 C ATOM 1186 C TYR A 97 -8.448 0.566 -3.778 1.00 0.00 C ATOM 1187 O TYR A 97 -8.770 0.422 -2.599 1.00 0.00 O ATOM 1188 CB TYR A 97 -6.902 2.449 -4.340 1.00 0.00 C ATOM 1189 CG TYR A 97 -7.704 3.242 -3.333 1.00 0.00 C ATOM 1190 CD1 TYR A 97 -7.231 3.448 -2.043 1.00 0.00 C ATOM 1191 CD2 TYR A 97 -8.937 3.787 -3.673 1.00 0.00 C ATOM 1192 CE1 TYR A 97 -7.962 4.170 -1.121 1.00 0.00 C ATOM 1193 CE2 TYR A 97 -9.675 4.512 -2.757 1.00 0.00 C ATOM 1194 CZ TYR A 97 -9.183 4.700 -1.482 1.00 0.00 C ATOM 1195 OH TYR A 97 -9.913 5.423 -0.566 1.00 0.00 O ATOM 0 H TYR A 97 -6.428 0.865 -6.172 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.354 0.618 -3.357 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.853 2.735 -4.263 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.232 2.714 -5.344 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.275 3.036 -1.757 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.325 3.641 -4.670 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -7.580 4.319 -0.122 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.631 4.929 -3.037 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.748 5.727 -0.980 1.00 0.00 H new ATOM 1205 N VAL A 98 -9.301 0.413 -4.785 1.00 0.00 N ATOM 1206 CA VAL A 98 -10.698 0.057 -4.556 1.00 0.00 C ATOM 1207 C VAL A 98 -10.878 -1.455 -4.498 1.00 0.00 C ATOM 1208 O VAL A 98 -11.871 -1.954 -3.967 1.00 0.00 O ATOM 1209 CB VAL A 98 -11.610 0.629 -5.659 1.00 0.00 C ATOM 1210 CG1 VAL A 98 -13.072 0.511 -5.257 1.00 0.00 C ATOM 1211 CG2 VAL A 98 -11.245 2.077 -5.953 1.00 0.00 C ATOM 0 H VAL A 98 -9.051 0.530 -5.767 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.982 0.491 -3.597 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.460 0.048 -6.569 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -13.701 0.920 -6.048 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -13.323 -0.538 -5.100 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.242 1.067 -4.335 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.898 2.466 -6.734 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -11.366 2.673 -5.049 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.209 2.130 -6.287 1.00 0.00 H new ATOM 1221 N THR A 99 -9.910 -2.183 -5.047 1.00 0.00 N ATOM 1222 CA THR A 99 -9.961 -3.639 -5.058 1.00 0.00 C ATOM 1223 C THR A 99 -9.119 -4.227 -3.931 1.00 0.00 C ATOM 1224 O THR A 99 -9.640 -4.894 -3.037 1.00 0.00 O ATOM 1225 CB THR A 99 -9.469 -4.209 -6.402 1.00 0.00 C ATOM 1226 OG1 THR A 99 -10.373 -3.840 -7.450 1.00 0.00 O ATOM 1227 CG2 THR A 99 -9.350 -5.724 -6.338 1.00 0.00 C ATOM 0 H THR A 99 -9.081 -1.787 -5.490 1.00 0.00 H new ATOM 0 HA THR A 99 -11.004 -3.919 -4.913 1.00 0.00 H new ATOM 0 HB THR A 99 -8.483 -3.793 -6.609 1.00 0.00 H new ATOM 0 HG1 THR A 99 -10.064 -3.011 -7.872 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.001 -6.102 -7.299 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.639 -6.001 -5.559 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.324 -6.156 -6.110 1.00 0.00 H new ATOM 1235 N LEU A 100 -7.815 -3.977 -3.981 1.00 0.00 N ATOM 1236 CA LEU A 100 -6.900 -4.481 -2.963 1.00 0.00 C ATOM 1237 C LEU A 100 -7.354 -4.065 -1.567 1.00 0.00 C ATOM 1238 O LEU A 100 -7.422 -4.887 -0.655 1.00 0.00 O ATOM 1239 CB LEU A 100 -5.483 -3.969 -3.224 1.00 0.00 C ATOM 1240 CG LEU A 100 -4.944 -4.177 -4.640 1.00 0.00 C ATOM 1241 CD1 LEU A 100 -3.485 -3.755 -4.724 1.00 0.00 C ATOM 1242 CD2 LEU A 100 -5.106 -5.629 -5.064 1.00 0.00 C ATOM 0 H LEU A 100 -7.368 -3.428 -4.716 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.902 -5.570 -3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.457 -2.903 -3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.806 -4.459 -2.524 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.521 -3.553 -5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.119 -3.910 -5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.396 -2.700 -4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.893 -4.352 -4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.717 -5.759 -6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.555 -6.272 -4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.162 -5.898 -5.044 1.00 0.00 H new ATOM 1254 N ASN A 101 -7.665 -2.782 -1.411 1.00 0.00 N ATOM 1255 CA ASN A 101 -8.115 -2.257 -0.127 1.00 0.00 C ATOM 1256 C ASN A 101 -9.314 -3.045 0.394 1.00 0.00 C ATOM 1257 O ASN A 101 -10.362 -3.096 -0.246 1.00 0.00 O ATOM 1258 CB ASN A 101 -8.482 -0.777 -0.258 1.00 0.00 C ATOM 1259 CG ASN A 101 -8.662 -0.104 1.089 1.00 0.00 C ATOM 1260 OD1 ASN A 101 -9.161 -0.712 2.037 1.00 0.00 O ATOM 1261 ND2 ASN A 101 -8.258 1.157 1.180 1.00 0.00 N ATOM 0 H ASN A 101 -7.614 -2.088 -2.157 1.00 0.00 H new ATOM 0 HA ASN A 101 -7.297 -2.361 0.586 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.702 -0.260 -0.818 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -9.403 -0.683 -0.834 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.355 1.661 2.061 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -7.850 1.622 0.369 1.00 0.00 H new ATOM 1268 N GLY A 102 -9.150 -3.658 1.562 1.00 0.00 N ATOM 1269 CA GLY A 102 -10.224 -4.435 2.150 1.00 0.00 C ATOM 1270 C GLY A 102 -10.161 -5.899 1.764 1.00 0.00 C ATOM 1271 O GLY A 102 -10.904 -6.723 2.297 1.00 0.00 O ATOM 0 H GLY A 102 -8.291 -3.630 2.112 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -10.180 -4.347 3.236 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -11.182 -4.021 1.835 1.00 0.00 H new ATOM 1275 N LYS A 103 -9.271 -6.225 0.832 1.00 0.00 N ATOM 1276 CA LYS A 103 -9.113 -7.600 0.373 1.00 0.00 C ATOM 1277 C LYS A 103 -8.272 -8.408 1.356 1.00 0.00 C ATOM 1278 O LYS A 103 -7.393 -7.866 2.026 1.00 0.00 O ATOM 1279 CB LYS A 103 -8.462 -7.625 -1.012 1.00 0.00 C ATOM 1280 CG LYS A 103 -8.708 -8.913 -1.777 1.00 0.00 C ATOM 1281 CD LYS A 103 -7.868 -8.981 -3.041 1.00 0.00 C ATOM 1282 CE LYS A 103 -7.696 -10.414 -3.520 1.00 0.00 C ATOM 1283 NZ LYS A 103 -8.953 -10.957 -4.108 1.00 0.00 N ATOM 0 H LYS A 103 -8.648 -5.555 0.380 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.103 -8.052 0.311 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -8.841 -6.787 -1.597 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.388 -7.477 -0.902 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.476 -9.766 -1.139 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -9.764 -8.987 -2.037 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.340 -8.389 -3.825 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.889 -8.539 -2.853 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.900 -10.455 -4.263 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.385 -11.041 -2.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.795 -11.936 -4.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.707 -10.941 -3.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -9.236 -10.374 -4.921 1.00 0.00 H new ATOM 1297 N GLU A 104 -8.546 -9.706 1.435 1.00 0.00 N ATOM 1298 CA GLU A 104 -7.814 -10.588 2.337 1.00 0.00 C ATOM 1299 C GLU A 104 -6.697 -11.316 1.596 1.00 0.00 C ATOM 1300 O GLU A 104 -6.829 -11.645 0.417 1.00 0.00 O ATOM 1301 CB GLU A 104 -8.763 -11.604 2.975 1.00 0.00 C ATOM 1302 CG GLU A 104 -9.388 -11.121 4.274 1.00 0.00 C ATOM 1303 CD GLU A 104 -10.611 -11.924 4.668 1.00 0.00 C ATOM 1304 OE1 GLU A 104 -11.661 -11.770 4.009 1.00 0.00 O ATOM 1305 OE2 GLU A 104 -10.518 -12.710 5.634 1.00 0.00 O ATOM 0 H GLU A 104 -9.269 -10.170 0.886 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.369 -9.975 3.121 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.556 -11.842 2.267 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.218 -12.528 3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.648 -11.179 5.072 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.665 -10.072 4.171 1.00 0.00 H new ATOM 1312 N VAL A 105 -5.594 -11.564 2.297 1.00 0.00 N ATOM 1313 CA VAL A 105 -4.452 -12.254 1.706 1.00 0.00 C ATOM 1314 C VAL A 105 -3.786 -13.177 2.719 1.00 0.00 C ATOM 1315 O VAL A 105 -3.612 -12.818 3.884 1.00 0.00 O ATOM 1316 CB VAL A 105 -3.408 -11.255 1.174 1.00 0.00 C ATOM 1317 CG1 VAL A 105 -3.962 -10.487 -0.017 1.00 0.00 C ATOM 1318 CG2 VAL A 105 -2.971 -10.302 2.277 1.00 0.00 C ATOM 0 H VAL A 105 -5.467 -11.298 3.273 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.834 -12.846 0.874 1.00 0.00 H new ATOM 0 HB VAL A 105 -2.533 -11.814 0.841 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.210 -9.786 -0.379 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.220 -11.186 -0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.853 -9.938 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.233 -9.603 1.883 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -3.836 -9.748 2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.531 -10.871 3.096 1.00 0.00 H new ATOM 1328 N VAL A 106 -3.413 -14.372 2.267 1.00 0.00 N ATOM 1329 CA VAL A 106 -2.764 -15.348 3.133 1.00 0.00 C ATOM 1330 C VAL A 106 -1.290 -15.011 3.332 1.00 0.00 C ATOM 1331 O VAL A 106 -0.489 -15.109 2.402 1.00 0.00 O ATOM 1332 CB VAL A 106 -2.881 -16.773 2.559 1.00 0.00 C ATOM 1333 CG1 VAL A 106 -1.881 -17.702 3.228 1.00 0.00 C ATOM 1334 CG2 VAL A 106 -4.299 -17.297 2.720 1.00 0.00 C ATOM 0 H VAL A 106 -3.550 -14.686 1.306 1.00 0.00 H new ATOM 0 HA VAL A 106 -3.276 -15.309 4.095 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.650 -16.737 1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.979 -18.704 2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.870 -17.333 3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.076 -17.736 4.300 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.363 -18.305 2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.561 -17.319 3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.991 -16.644 2.189 1.00 0.00 H new ATOM 1344 N ASP A 107 -0.940 -14.615 4.550 1.00 0.00 N ATOM 1345 CA ASP A 107 0.440 -14.265 4.873 1.00 0.00 C ATOM 1346 C ASP A 107 1.340 -15.496 4.816 1.00 0.00 C ATOM 1347 O ASP A 107 0.894 -16.588 4.462 1.00 0.00 O ATOM 1348 CB ASP A 107 0.514 -13.627 6.261 1.00 0.00 C ATOM 1349 CG ASP A 107 0.070 -14.575 7.359 1.00 0.00 C ATOM 1350 OD1 ASP A 107 0.515 -15.742 7.351 1.00 0.00 O ATOM 1351 OD2 ASP A 107 -0.721 -14.148 8.225 1.00 0.00 O ATOM 0 H ASP A 107 -1.591 -14.528 5.330 1.00 0.00 H new ATOM 0 HA ASP A 107 0.791 -13.547 4.132 1.00 0.00 H new ATOM 0 HB2 ASP A 107 1.537 -13.304 6.455 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.111 -12.734 6.281 1.00 0.00 H new ATOM 1356 N ASP A 108 2.608 -15.310 5.164 1.00 0.00 N ATOM 1357 CA ASP A 108 3.571 -16.405 5.153 1.00 0.00 C ATOM 1358 C ASP A 108 3.146 -17.514 6.110 1.00 0.00 C ATOM 1359 O ASP A 108 3.314 -18.699 5.818 1.00 0.00 O ATOM 1360 CB ASP A 108 4.962 -15.892 5.532 1.00 0.00 C ATOM 1361 CG ASP A 108 6.037 -16.946 5.348 1.00 0.00 C ATOM 1362 OD1 ASP A 108 6.322 -17.308 4.187 1.00 0.00 O ATOM 1363 OD2 ASP A 108 6.593 -17.408 6.366 1.00 0.00 O ATOM 0 H ASP A 108 2.993 -14.412 5.457 1.00 0.00 H new ATOM 0 HA ASP A 108 3.605 -16.815 4.144 1.00 0.00 H new ATOM 0 HB2 ASP A 108 5.203 -15.021 4.923 1.00 0.00 H new ATOM 0 HB3 ASP A 108 4.954 -15.562 6.571 1.00 0.00 H new ATOM 1368 N LEU A 109 2.596 -17.122 7.254 1.00 0.00 N ATOM 1369 CA LEU A 109 2.147 -18.083 8.255 1.00 0.00 C ATOM 1370 C LEU A 109 0.982 -18.914 7.729 1.00 0.00 C ATOM 1371 O LEU A 109 0.814 -20.074 8.103 1.00 0.00 O ATOM 1372 CB LEU A 109 1.733 -17.358 9.538 1.00 0.00 C ATOM 1373 CG LEU A 109 2.734 -16.339 10.085 1.00 0.00 C ATOM 1374 CD1 LEU A 109 2.114 -15.538 11.220 1.00 0.00 C ATOM 1375 CD2 LEU A 109 4.002 -17.037 10.553 1.00 0.00 C ATOM 0 H LEU A 109 2.450 -16.146 7.511 1.00 0.00 H new ATOM 0 HA LEU A 109 2.977 -18.754 8.476 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.788 -16.847 9.354 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.546 -18.105 10.310 1.00 0.00 H new ATOM 0 HG LEU A 109 2.997 -15.649 9.283 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.841 -14.818 11.597 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.235 -15.008 10.853 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.822 -16.213 12.024 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.703 -16.297 10.939 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.756 -17.749 11.341 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.457 -17.565 9.715 1.00 0.00 H new ATOM 1387 N GLY A 110 0.178 -18.311 6.858 1.00 0.00 N ATOM 1388 CA GLY A 110 -0.962 -19.011 6.293 1.00 0.00 C ATOM 1389 C GLY A 110 -2.284 -18.448 6.773 1.00 0.00 C ATOM 1390 O GLY A 110 -3.327 -19.085 6.624 1.00 0.00 O ATOM 0 H GLY A 110 0.295 -17.351 6.534 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.919 -18.951 5.206 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -0.903 -20.067 6.557 1.00 0.00 H new ATOM 1394 N GLN A 111 -2.241 -17.253 7.353 1.00 0.00 N ATOM 1395 CA GLN A 111 -3.448 -16.607 7.860 1.00 0.00 C ATOM 1396 C GLN A 111 -3.884 -15.473 6.940 1.00 0.00 C ATOM 1397 O GLN A 111 -3.054 -14.801 6.327 1.00 0.00 O ATOM 1398 CB GLN A 111 -3.208 -16.072 9.273 1.00 0.00 C ATOM 1399 CG GLN A 111 -2.795 -17.143 10.268 1.00 0.00 C ATOM 1400 CD GLN A 111 -3.035 -16.728 11.706 1.00 0.00 C ATOM 1401 OE1 GLN A 111 -4.161 -16.789 12.202 1.00 0.00 O ATOM 1402 NE2 GLN A 111 -1.977 -16.302 12.385 1.00 0.00 N ATOM 0 H GLN A 111 -1.386 -16.713 7.484 1.00 0.00 H new ATOM 0 HA GLN A 111 -4.244 -17.351 7.891 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -2.434 -15.305 9.235 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -4.118 -15.589 9.629 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -3.349 -18.059 10.061 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -1.738 -17.372 10.132 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -1.062 -16.268 11.935 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -2.079 -16.009 13.357 1.00 0.00 H new ATOM 1411 N LYS A 112 -5.193 -15.263 6.847 1.00 0.00 N ATOM 1412 CA LYS A 112 -5.742 -14.209 6.002 1.00 0.00 C ATOM 1413 C LYS A 112 -5.758 -12.874 6.740 1.00 0.00 C ATOM 1414 O LYS A 112 -6.310 -12.766 7.835 1.00 0.00 O ATOM 1415 CB LYS A 112 -7.159 -14.573 5.554 1.00 0.00 C ATOM 1416 CG LYS A 112 -7.211 -15.755 4.601 1.00 0.00 C ATOM 1417 CD LYS A 112 -7.033 -15.317 3.157 1.00 0.00 C ATOM 1418 CE LYS A 112 -7.370 -16.439 2.188 1.00 0.00 C ATOM 1419 NZ LYS A 112 -8.841 -16.606 2.025 1.00 0.00 N ATOM 0 H LYS A 112 -5.894 -15.810 7.347 1.00 0.00 H new ATOM 0 HA LYS A 112 -5.104 -14.111 5.124 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.762 -14.799 6.433 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.612 -13.707 5.071 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -6.431 -16.470 4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -8.165 -16.270 4.711 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -7.672 -14.457 2.955 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.004 -14.994 2.998 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.918 -16.230 1.218 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.936 -17.372 2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.030 -17.369 1.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -9.267 -16.847 2.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -9.254 -15.718 1.674 1.00 0.00 H new ATOM 1433 N ILE A 113 -5.149 -11.860 6.133 1.00 0.00 N ATOM 1434 CA ILE A 113 -5.097 -10.532 6.731 1.00 0.00 C ATOM 1435 C ILE A 113 -5.803 -9.505 5.853 1.00 0.00 C ATOM 1436 O ILE A 113 -5.800 -9.613 4.626 1.00 0.00 O ATOM 1437 CB ILE A 113 -3.644 -10.078 6.965 1.00 0.00 C ATOM 1438 CG1 ILE A 113 -2.827 -11.210 7.592 1.00 0.00 C ATOM 1439 CG2 ILE A 113 -3.612 -8.842 7.852 1.00 0.00 C ATOM 1440 CD1 ILE A 113 -1.392 -10.832 7.882 1.00 0.00 C ATOM 0 H ILE A 113 -4.685 -11.933 5.228 1.00 0.00 H new ATOM 0 HA ILE A 113 -5.609 -10.598 7.691 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.199 -9.824 6.003 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.306 -11.522 8.520 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.839 -12.070 6.922 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -2.578 -8.533 8.008 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.163 -8.034 7.371 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -4.071 -9.072 8.813 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.874 -11.683 8.325 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.896 -10.548 6.954 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.370 -9.992 8.576 1.00 0.00 H new ATOM 1452 N THR A 114 -6.408 -8.507 6.489 1.00 0.00 N ATOM 1453 CA THR A 114 -7.118 -7.460 5.767 1.00 0.00 C ATOM 1454 C THR A 114 -6.256 -6.211 5.619 1.00 0.00 C ATOM 1455 O THR A 114 -6.104 -5.434 6.563 1.00 0.00 O ATOM 1456 CB THR A 114 -8.433 -7.081 6.476 1.00 0.00 C ATOM 1457 OG1 THR A 114 -9.145 -8.264 6.853 1.00 0.00 O ATOM 1458 CG2 THR A 114 -9.307 -6.223 5.573 1.00 0.00 C ATOM 0 H THR A 114 -6.420 -8.402 7.504 1.00 0.00 H new ATOM 0 HA THR A 114 -7.348 -7.858 4.779 1.00 0.00 H new ATOM 0 HB THR A 114 -8.186 -6.506 7.369 1.00 0.00 H new ATOM 0 HG1 THR A 114 -9.978 -8.014 7.304 1.00 0.00 H new ATOM 0 HG21 THR A 114 -10.229 -5.968 6.095 1.00 0.00 H new ATOM 0 HG22 THR A 114 -8.773 -5.309 5.312 1.00 0.00 H new ATOM 0 HG23 THR A 114 -9.545 -6.776 4.665 1.00 0.00 H new ATOM 1466 N LEU A 115 -5.694 -6.024 4.431 1.00 0.00 N ATOM 1467 CA LEU A 115 -4.846 -4.868 4.159 1.00 0.00 C ATOM 1468 C LEU A 115 -5.676 -3.686 3.669 1.00 0.00 C ATOM 1469 O LEU A 115 -6.722 -3.867 3.043 1.00 0.00 O ATOM 1470 CB LEU A 115 -3.782 -5.224 3.120 1.00 0.00 C ATOM 1471 CG LEU A 115 -3.125 -6.596 3.275 1.00 0.00 C ATOM 1472 CD1 LEU A 115 -2.090 -6.819 2.184 1.00 0.00 C ATOM 1473 CD2 LEU A 115 -2.490 -6.731 4.651 1.00 0.00 C ATOM 0 H LEU A 115 -5.810 -6.658 3.640 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.355 -4.582 5.089 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.237 -5.171 2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.002 -4.464 3.153 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.896 -7.360 3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -1.633 -7.801 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.573 -6.767 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.321 -6.050 2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -2.027 -7.714 4.743 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.731 -5.959 4.779 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.256 -6.617 5.418 1.00 0.00 H new ATOM 1485 N TYR A 116 -5.204 -2.479 3.954 1.00 0.00 N ATOM 1486 CA TYR A 116 -5.903 -1.267 3.542 1.00 0.00 C ATOM 1487 C TYR A 116 -4.980 -0.349 2.746 1.00 0.00 C ATOM 1488 O TYR A 116 -3.967 0.128 3.259 1.00 0.00 O ATOM 1489 CB TYR A 116 -6.447 -0.526 4.765 1.00 0.00 C ATOM 1490 CG TYR A 116 -7.737 -1.107 5.301 1.00 0.00 C ATOM 1491 CD1 TYR A 116 -7.723 -2.159 6.207 1.00 0.00 C ATOM 1492 CD2 TYR A 116 -8.967 -0.602 4.901 1.00 0.00 C ATOM 1493 CE1 TYR A 116 -8.898 -2.694 6.699 1.00 0.00 C ATOM 1494 CE2 TYR A 116 -10.148 -1.128 5.388 1.00 0.00 C ATOM 1495 CZ TYR A 116 -10.108 -2.175 6.286 1.00 0.00 C ATOM 1496 OH TYR A 116 -11.281 -2.703 6.775 1.00 0.00 O ATOM 0 H TYR A 116 -4.340 -2.313 4.469 1.00 0.00 H new ATOM 0 HA TYR A 116 -6.736 -1.558 2.902 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.695 -0.543 5.554 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.610 0.519 4.503 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.777 -2.566 6.533 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.001 0.216 4.197 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.870 -3.513 7.402 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.096 -0.722 5.068 1.00 0.00 H new ATOM 0 HH TYR A 116 -12.042 -2.224 6.386 1.00 0.00 H new ATOM 1506 N LEU A 117 -5.338 -0.105 1.491 1.00 0.00 N ATOM 1507 CA LEU A 117 -4.543 0.756 0.622 1.00 0.00 C ATOM 1508 C LEU A 117 -5.091 2.180 0.618 1.00 0.00 C ATOM 1509 O LEU A 117 -6.270 2.401 0.343 1.00 0.00 O ATOM 1510 CB LEU A 117 -4.527 0.200 -0.803 1.00 0.00 C ATOM 1511 CG LEU A 117 -3.610 -0.999 -1.045 1.00 0.00 C ATOM 1512 CD1 LEU A 117 -4.248 -2.274 -0.517 1.00 0.00 C ATOM 1513 CD2 LEU A 117 -3.289 -1.135 -2.526 1.00 0.00 C ATOM 0 H LEU A 117 -6.174 -0.491 1.052 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.524 0.779 1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -5.544 -0.086 -1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -4.231 1.001 -1.481 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.678 -0.833 -0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -3.581 -3.117 -0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -4.426 -2.175 0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.196 -2.445 -1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.635 -1.994 -2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -4.213 -1.277 -3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -2.789 -0.231 -2.874 1.00 0.00 H new ATOM 1525 N ASN A 118 -4.227 3.141 0.923 1.00 0.00 N ATOM 1526 CA ASN A 118 -4.623 4.545 0.953 1.00 0.00 C ATOM 1527 C ASN A 118 -3.826 5.358 -0.063 1.00 0.00 C ATOM 1528 O ASN A 118 -2.633 5.127 -0.259 1.00 0.00 O ATOM 1529 CB ASN A 118 -4.424 5.123 2.355 1.00 0.00 C ATOM 1530 CG ASN A 118 -5.633 4.912 3.245 1.00 0.00 C ATOM 1531 OD1 ASN A 118 -5.762 3.878 3.901 1.00 0.00 O ATOM 1532 ND2 ASN A 118 -6.526 5.894 3.272 1.00 0.00 N ATOM 0 H ASN A 118 -3.247 2.974 1.153 1.00 0.00 H new ATOM 0 HA ASN A 118 -5.679 4.604 0.690 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -3.552 4.659 2.816 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -4.214 6.190 2.279 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -7.360 5.809 3.853 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -6.378 6.733 2.712 1.00 0.00 H new ATOM 1539 N PHE A 119 -4.494 6.310 -0.705 1.00 0.00 N ATOM 1540 CA PHE A 119 -3.848 7.158 -1.701 1.00 0.00 C ATOM 1541 C PHE A 119 -2.817 8.076 -1.048 1.00 0.00 C ATOM 1542 O PHE A 119 -3.129 8.808 -0.108 1.00 0.00 O ATOM 1543 CB PHE A 119 -4.893 7.993 -2.444 1.00 0.00 C ATOM 1544 CG PHE A 119 -5.660 7.214 -3.473 1.00 0.00 C ATOM 1545 CD1 PHE A 119 -4.998 6.530 -4.481 1.00 0.00 C ATOM 1546 CD2 PHE A 119 -7.044 7.166 -3.435 1.00 0.00 C ATOM 1547 CE1 PHE A 119 -5.701 5.811 -5.429 1.00 0.00 C ATOM 1548 CE2 PHE A 119 -7.753 6.448 -4.380 1.00 0.00 C ATOM 1549 CZ PHE A 119 -7.080 5.771 -5.380 1.00 0.00 C ATOM 0 H PHE A 119 -5.482 6.514 -0.554 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.334 6.513 -2.414 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.593 8.412 -1.721 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.397 8.833 -2.931 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.919 6.559 -4.526 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -7.575 7.696 -2.658 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -5.172 5.281 -6.207 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -8.832 6.416 -4.337 1.00 0.00 H new ATOM 0 HZ PHE A 119 -7.632 5.212 -6.121 1.00 0.00 H new ATOM 1559 N VAL A 120 -1.589 8.029 -1.554 1.00 0.00 N ATOM 1560 CA VAL A 120 -0.513 8.856 -1.022 1.00 0.00 C ATOM 1561 C VAL A 120 0.231 9.576 -2.140 1.00 0.00 C ATOM 1562 O VAL A 120 0.412 9.033 -3.229 1.00 0.00 O ATOM 1563 CB VAL A 120 0.492 8.015 -0.210 1.00 0.00 C ATOM 1564 CG1 VAL A 120 -0.152 7.501 1.068 1.00 0.00 C ATOM 1565 CG2 VAL A 120 1.023 6.864 -1.050 1.00 0.00 C ATOM 0 H VAL A 120 -1.315 7.428 -2.331 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.975 9.592 -0.364 1.00 0.00 H new ATOM 0 HB VAL A 120 1.333 8.651 0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.572 6.910 1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.479 8.345 1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.012 6.880 0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 120 1.731 6.281 -0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 120 0.195 6.226 -1.358 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.524 7.259 -1.933 1.00 0.00 H new ATOM 1575 N GLU A 121 0.662 10.803 -1.863 1.00 0.00 N ATOM 1576 CA GLU A 121 1.386 11.599 -2.847 1.00 0.00 C ATOM 1577 C GLU A 121 2.865 11.698 -2.485 1.00 0.00 C ATOM 1578 O GLU A 121 3.728 11.765 -3.360 1.00 0.00 O ATOM 1579 CB GLU A 121 0.780 12.999 -2.951 1.00 0.00 C ATOM 1580 CG GLU A 121 0.822 13.779 -1.647 1.00 0.00 C ATOM 1581 CD GLU A 121 0.450 15.238 -1.827 1.00 0.00 C ATOM 1582 OE1 GLU A 121 -0.610 15.509 -2.427 1.00 0.00 O ATOM 1583 OE2 GLU A 121 1.219 16.107 -1.367 1.00 0.00 O ATOM 0 H GLU A 121 0.522 11.267 -0.965 1.00 0.00 H new ATOM 0 HA GLU A 121 1.299 11.102 -3.813 1.00 0.00 H new ATOM 0 HB2 GLU A 121 1.313 13.561 -3.718 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -0.255 12.914 -3.281 1.00 0.00 H new ATOM 0 HG2 GLU A 121 0.140 13.320 -0.931 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.823 13.713 -1.221 1.00 0.00 H new ATOM 1590 N LYS A 122 3.150 11.707 -1.188 1.00 0.00 N ATOM 1591 CA LYS A 122 4.524 11.798 -0.706 1.00 0.00 C ATOM 1592 C LYS A 122 4.963 10.485 -0.065 1.00 0.00 C ATOM 1593 O LYS A 122 4.272 9.943 0.799 1.00 0.00 O ATOM 1594 CB LYS A 122 4.659 12.941 0.303 1.00 0.00 C ATOM 1595 CG LYS A 122 4.647 14.319 -0.335 1.00 0.00 C ATOM 1596 CD LYS A 122 5.944 14.603 -1.073 1.00 0.00 C ATOM 1597 CE LYS A 122 6.095 16.083 -1.388 1.00 0.00 C ATOM 1598 NZ LYS A 122 6.219 16.904 -0.152 1.00 0.00 N ATOM 0 H LYS A 122 2.448 11.652 -0.450 1.00 0.00 H new ATOM 0 HA LYS A 122 5.170 11.999 -1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 122 3.844 12.876 1.024 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.588 12.815 0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 122 3.809 14.393 -1.028 1.00 0.00 H new ATOM 0 HG3 LYS A 122 4.492 15.076 0.434 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.788 14.271 -0.468 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.970 14.029 -1.999 1.00 0.00 H new ATOM 0 HE2 LYS A 122 6.975 16.233 -2.013 1.00 0.00 H new ATOM 0 HE3 LYS A 122 5.233 16.421 -1.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 6.664 17.815 -0.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 5.274 17.072 0.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 6.805 16.399 0.543 1.00 0.00 H new ATOM 1612 N VAL A 123 6.116 9.980 -0.492 1.00 0.00 N ATOM 1613 CA VAL A 123 6.649 8.733 0.044 1.00 0.00 C ATOM 1614 C VAL A 123 8.171 8.706 -0.038 1.00 0.00 C ATOM 1615 O VAL A 123 8.746 8.814 -1.120 1.00 0.00 O ATOM 1616 CB VAL A 123 6.084 7.513 -0.709 1.00 0.00 C ATOM 1617 CG1 VAL A 123 6.813 6.244 -0.293 1.00 0.00 C ATOM 1618 CG2 VAL A 123 4.588 7.382 -0.463 1.00 0.00 C ATOM 0 H VAL A 123 6.699 10.415 -1.207 1.00 0.00 H new ATOM 0 HA VAL A 123 6.343 8.680 1.089 1.00 0.00 H new ATOM 0 HB VAL A 123 6.243 7.662 -1.777 1.00 0.00 H new ATOM 0 HG11 VAL A 123 6.400 5.393 -0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.874 6.342 -0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 123 6.688 6.087 0.778 1.00 0.00 H new ATOM 0 HG21 VAL A 123 4.205 6.515 -1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 123 4.404 7.256 0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 123 4.081 8.281 -0.814 1.00 0.00 H new ATOM 1628 N GLN A 124 8.818 8.559 1.114 1.00 0.00 N ATOM 1629 CA GLN A 124 10.274 8.518 1.173 1.00 0.00 C ATOM 1630 C GLN A 124 10.818 7.347 0.360 1.00 0.00 C ATOM 1631 O GLN A 124 11.200 6.318 0.915 1.00 0.00 O ATOM 1632 CB GLN A 124 10.744 8.407 2.624 1.00 0.00 C ATOM 1633 CG GLN A 124 10.083 7.276 3.394 1.00 0.00 C ATOM 1634 CD GLN A 124 10.469 7.263 4.860 1.00 0.00 C ATOM 1635 OE1 GLN A 124 9.990 8.079 5.647 1.00 0.00 O ATOM 1636 NE2 GLN A 124 11.342 6.334 5.234 1.00 0.00 N ATOM 0 H GLN A 124 8.357 8.466 2.019 1.00 0.00 H new ATOM 0 HA GLN A 124 10.656 9.444 0.744 1.00 0.00 H new ATOM 0 HB2 GLN A 124 11.824 8.261 2.637 1.00 0.00 H new ATOM 0 HB3 GLN A 124 10.543 9.349 3.135 1.00 0.00 H new ATOM 0 HG2 GLN A 124 9.000 7.368 3.308 1.00 0.00 H new ATOM 0 HG3 GLN A 124 10.359 6.324 2.941 1.00 0.00 H new ATOM 0 HE21 GLN A 124 11.714 5.677 4.547 1.00 0.00 H new ATOM 0 HE22 GLN A 124 11.641 6.277 6.208 1.00 0.00 H new ATOM 1645 N TRP A 125 10.849 7.513 -0.958 1.00 0.00 N ATOM 1646 CA TRP A 125 11.347 6.470 -1.848 1.00 0.00 C ATOM 1647 C TRP A 125 12.848 6.271 -1.668 1.00 0.00 C ATOM 1648 O TRP A 125 13.552 7.173 -1.214 1.00 0.00 O ATOM 1649 CB TRP A 125 11.036 6.822 -3.304 1.00 0.00 C ATOM 1650 CG TRP A 125 9.569 6.891 -3.598 1.00 0.00 C ATOM 1651 CD1 TRP A 125 8.819 8.020 -3.766 1.00 0.00 C ATOM 1652 CD2 TRP A 125 8.673 5.785 -3.756 1.00 0.00 C ATOM 1653 NE1 TRP A 125 7.511 7.683 -4.020 1.00 0.00 N ATOM 1654 CE2 TRP A 125 7.396 6.318 -4.021 1.00 0.00 C ATOM 1655 CE3 TRP A 125 8.827 4.397 -3.704 1.00 0.00 C ATOM 1656 CZ2 TRP A 125 6.282 5.510 -4.229 1.00 0.00 C ATOM 1657 CZ3 TRP A 125 7.719 3.597 -3.911 1.00 0.00 C ATOM 1658 CH2 TRP A 125 6.461 4.154 -4.171 1.00 0.00 C ATOM 0 H TRP A 125 10.535 8.359 -1.433 1.00 0.00 H new ATOM 0 HA TRP A 125 10.844 5.538 -1.592 1.00 0.00 H new ATOM 0 HB2 TRP A 125 11.493 7.782 -3.544 1.00 0.00 H new ATOM 0 HB3 TRP A 125 11.495 6.079 -3.956 1.00 0.00 H new ATOM 0 HD1 TRP A 125 9.198 9.030 -3.708 1.00 0.00 H new ATOM 0 HE1 TRP A 125 6.750 8.342 -4.182 1.00 0.00 H new ATOM 0 HE3 TRP A 125 9.794 3.958 -3.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 5.311 5.938 -4.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 7.826 2.523 -3.871 1.00 0.00 H new ATOM 0 HH2 TRP A 125 5.615 3.501 -4.329 1.00 0.00 H new