USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 771 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 61 THR OG1 : rot -128:sc= -0.889 USER MOD Set 1.2: A 74 HIS : no HD1:sc= -0.0363 X(o=-0.93,f=-0.93) USER MOD Single : A 21 THR OG1 : rot 149:sc= 0.718 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 180:sc= -1.43 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= -0.0778 USER MOD Single : A 34 GLN : amide:sc= -0.12 K(o=-0.12,f=-1.3) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 140:sc= 0.314 USER MOD Single : A 45 ASN : amide:sc= -0.684 K(o=-0.68,f=-2.1!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 29:sc= 0.085 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 65 MET CE :methyl -121:sc= -0.0974 (180deg=-0.718) USER MOD Single : A 66 HIS : no HD1:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 67 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.8!) USER MOD Single : A 69 THR OG1 : rot 180:sc=-0.00765 USER MOD Single : A 70 HIS : no HD1:sc= 0.0594 K(o=0.059,f=-2.6!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 157:sc= -0.0571 (180deg=-0.335) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 136:sc= 1.27 (180deg=0.988) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 22:sc= 0.246 USER MOD Single : A 94 CYS SG : rot 123:sc= 0.909 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 24:sc= 0.00669 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 TYR OH : rot 180:sc= -1.48 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 79:sc= 1.06 USER MOD Single : A 109 LYS NZ :NH3+ -114:sc= -0.434 (180deg=-2.03!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 265 N GLU A 20 -2.956 -10.455 -5.788 1.00 0.00 N ATOM 266 CA GLU A 20 -2.696 -10.604 -4.361 1.00 0.00 C ATOM 267 C GLU A 20 -2.469 -9.245 -3.705 1.00 0.00 C ATOM 268 O GLU A 20 -2.995 -8.966 -2.627 1.00 0.00 O ATOM 269 CB GLU A 20 -1.480 -11.502 -4.134 1.00 0.00 C ATOM 270 CG GLU A 20 -1.696 -12.943 -4.566 1.00 0.00 C ATOM 271 CD GLU A 20 -0.463 -13.803 -4.372 1.00 0.00 C ATOM 272 OE1 GLU A 20 0.361 -13.877 -5.308 1.00 0.00 O ATOM 273 OE2 GLU A 20 -0.321 -14.401 -3.285 1.00 0.00 O ATOM 0 HA GLU A 20 -3.571 -11.067 -3.904 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.630 -11.092 -4.679 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.219 -11.484 -3.076 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.523 -13.368 -3.998 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.987 -12.963 -5.616 1.00 0.00 H new ATOM 280 N THR A 21 -1.680 -8.401 -4.363 1.00 0.00 N ATOM 281 CA THR A 21 -1.381 -7.072 -3.844 1.00 0.00 C ATOM 282 C THR A 21 -1.323 -6.043 -4.967 1.00 0.00 C ATOM 283 O THR A 21 -1.001 -6.357 -6.114 1.00 0.00 O ATOM 284 CB THR A 21 -0.044 -7.055 -3.080 1.00 0.00 C ATOM 285 OG1 THR A 21 1.030 -6.755 -3.977 1.00 0.00 O ATOM 286 CG2 THR A 21 0.210 -8.396 -2.406 1.00 0.00 C ATOM 0 H THR A 21 -1.237 -8.614 -5.256 1.00 0.00 H new ATOM 0 HA THR A 21 -2.187 -6.813 -3.158 1.00 0.00 H new ATOM 0 HB THR A 21 -0.100 -6.284 -2.312 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.735 -6.276 -3.494 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.160 -8.361 -1.872 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.594 -8.607 -1.702 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.247 -9.181 -3.161 1.00 0.00 H new ATOM 294 N PRO A 22 -1.641 -4.784 -4.634 1.00 0.00 N ATOM 295 CA PRO A 22 -1.632 -3.683 -5.603 1.00 0.00 C ATOM 296 C PRO A 22 -0.221 -3.312 -6.045 1.00 0.00 C ATOM 297 O PRO A 22 0.741 -3.487 -5.297 1.00 0.00 O ATOM 298 CB PRO A 22 -2.270 -2.526 -4.829 1.00 0.00 C ATOM 299 CG PRO A 22 -2.009 -2.838 -3.396 1.00 0.00 C ATOM 300 CD PRO A 22 -2.035 -4.337 -3.287 1.00 0.00 C ATOM 0 HA PRO A 22 -2.159 -3.943 -6.521 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -1.830 -1.570 -5.112 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.339 -2.457 -5.031 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.045 -2.440 -3.079 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.766 -2.387 -2.754 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.343 -4.697 -2.526 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.025 -4.703 -3.016 1.00 0.00 H new ATOM 308 N SER A 23 -0.104 -2.800 -7.265 1.00 0.00 N ATOM 309 CA SER A 23 1.191 -2.408 -7.810 1.00 0.00 C ATOM 310 C SER A 23 1.825 -1.307 -6.964 1.00 0.00 C ATOM 311 O SER A 23 3.035 -1.089 -7.017 1.00 0.00 O ATOM 312 CB SER A 23 1.038 -1.933 -9.256 1.00 0.00 C ATOM 313 OG SER A 23 0.344 -2.890 -10.036 1.00 0.00 O ATOM 0 H SER A 23 -0.891 -2.647 -7.896 1.00 0.00 H new ATOM 0 HA SER A 23 1.845 -3.280 -7.790 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.501 -0.985 -9.276 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.022 -1.751 -9.688 1.00 0.00 H new ATOM 0 HG SER A 23 0.258 -2.562 -10.955 1.00 0.00 H new ATOM 319 N CYS A 24 0.997 -0.617 -6.187 1.00 0.00 N ATOM 320 CA CYS A 24 1.475 0.463 -5.331 1.00 0.00 C ATOM 321 C CYS A 24 2.167 -0.093 -4.091 1.00 0.00 C ATOM 322 O CYS A 24 2.941 0.604 -3.434 1.00 0.00 O ATOM 323 CB CYS A 24 0.313 1.367 -4.919 1.00 0.00 C ATOM 324 SG CYS A 24 -0.946 0.542 -3.918 1.00 0.00 S ATOM 0 H CYS A 24 -0.007 -0.786 -6.132 1.00 0.00 H new ATOM 0 HA CYS A 24 2.199 1.049 -5.897 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.708 2.216 -4.360 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -0.157 1.768 -5.817 1.00 0.00 H new ATOM 0 HG CYS A 24 -1.885 1.389 -3.618 1.00 0.00 H new ATOM 330 N PHE A 25 1.881 -1.351 -3.773 1.00 0.00 N ATOM 331 CA PHE A 25 2.473 -2.000 -2.610 1.00 0.00 C ATOM 332 C PHE A 25 3.936 -2.349 -2.868 1.00 0.00 C ATOM 333 O PHE A 25 4.320 -2.676 -3.991 1.00 0.00 O ATOM 334 CB PHE A 25 1.690 -3.265 -2.251 1.00 0.00 C ATOM 335 CG PHE A 25 2.536 -4.335 -1.622 1.00 0.00 C ATOM 336 CD1 PHE A 25 3.392 -5.104 -2.394 1.00 0.00 C ATOM 337 CD2 PHE A 25 2.477 -4.572 -0.258 1.00 0.00 C ATOM 338 CE1 PHE A 25 4.171 -6.089 -1.817 1.00 0.00 C ATOM 339 CE2 PHE A 25 3.253 -5.555 0.324 1.00 0.00 C ATOM 340 CZ PHE A 25 4.102 -6.314 -0.457 1.00 0.00 C ATOM 0 H PHE A 25 1.242 -1.942 -4.305 1.00 0.00 H new ATOM 0 HA PHE A 25 2.426 -1.303 -1.773 1.00 0.00 H new ATOM 0 HB2 PHE A 25 0.883 -3.002 -1.567 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.226 -3.663 -3.153 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.451 -4.932 -3.459 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.816 -3.980 0.358 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.833 -6.682 -2.430 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.196 -5.730 1.388 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.711 -7.082 -0.004 1.00 0.00 H new ATOM 350 N LEU A 26 4.748 -2.277 -1.819 1.00 0.00 N ATOM 351 CA LEU A 26 6.171 -2.584 -1.931 1.00 0.00 C ATOM 352 C LEU A 26 6.726 -3.080 -0.599 1.00 0.00 C ATOM 353 O LEU A 26 6.250 -2.693 0.468 1.00 0.00 O ATOM 354 CB LEU A 26 6.945 -1.349 -2.392 1.00 0.00 C ATOM 355 CG LEU A 26 6.289 0.001 -2.102 1.00 0.00 C ATOM 356 CD1 LEU A 26 6.256 0.268 -0.604 1.00 0.00 C ATOM 357 CD2 LEU A 26 7.024 1.119 -2.827 1.00 0.00 C ATOM 0 H LEU A 26 4.447 -2.009 -0.882 1.00 0.00 H new ATOM 0 HA LEU A 26 6.290 -3.375 -2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.927 -1.362 -1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.108 -1.428 -3.467 1.00 0.00 H new ATOM 0 HG LEU A 26 5.263 -0.030 -2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.786 1.233 -0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.685 -0.516 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.274 0.279 -0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.543 2.072 -2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.061 1.151 -2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.996 0.936 -3.901 1.00 0.00 H new ATOM 369 N LYS A 27 7.739 -3.938 -0.669 1.00 0.00 N ATOM 370 CA LYS A 27 8.364 -4.484 0.530 1.00 0.00 C ATOM 371 C LYS A 27 9.440 -3.543 1.060 1.00 0.00 C ATOM 372 O LYS A 27 10.530 -3.451 0.495 1.00 0.00 O ATOM 373 CB LYS A 27 8.971 -5.857 0.232 1.00 0.00 C ATOM 374 CG LYS A 27 7.978 -6.851 -0.342 1.00 0.00 C ATOM 375 CD LYS A 27 8.558 -8.254 -0.391 1.00 0.00 C ATOM 376 CE LYS A 27 9.253 -8.525 -1.717 1.00 0.00 C ATOM 377 NZ LYS A 27 10.229 -9.644 -1.613 1.00 0.00 N ATOM 0 H LYS A 27 8.144 -4.270 -1.544 1.00 0.00 H new ATOM 0 HA LYS A 27 7.594 -4.592 1.294 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.796 -5.735 -0.469 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.391 -6.266 1.151 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.072 -6.852 0.264 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.690 -6.540 -1.346 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.268 -8.384 0.426 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.762 -8.983 -0.241 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.507 -8.763 -2.476 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.768 -7.623 -2.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.681 -9.797 -2.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.955 -9.407 -0.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.734 -10.511 -1.322 1.00 0.00 H new ATOM 391 N VAL A 28 9.127 -2.846 2.147 1.00 0.00 N ATOM 392 CA VAL A 28 10.070 -1.913 2.755 1.00 0.00 C ATOM 393 C VAL A 28 9.845 -1.806 4.259 1.00 0.00 C ATOM 394 O VAL A 28 8.781 -2.165 4.765 1.00 0.00 O ATOM 395 CB VAL A 28 9.955 -0.511 2.128 1.00 0.00 C ATOM 396 CG1 VAL A 28 9.910 -0.607 0.610 1.00 0.00 C ATOM 397 CG2 VAL A 28 8.727 0.211 2.661 1.00 0.00 C ATOM 0 H VAL A 28 8.228 -2.909 2.625 1.00 0.00 H new ATOM 0 HA VAL A 28 11.069 -2.306 2.568 1.00 0.00 H new ATOM 0 HB VAL A 28 10.837 0.066 2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.829 0.393 0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.822 -1.082 0.248 1.00 0.00 H new ATOM 0 HG13 VAL A 28 9.047 -1.201 0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.661 1.200 2.208 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.833 -0.362 2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.806 0.313 3.743 1.00 0.00 H new ATOM 407 N SER A 29 10.851 -1.308 4.969 1.00 0.00 N ATOM 408 CA SER A 29 10.765 -1.155 6.416 1.00 0.00 C ATOM 409 C SER A 29 10.127 0.181 6.784 1.00 0.00 C ATOM 410 O SER A 29 10.431 1.212 6.184 1.00 0.00 O ATOM 411 CB SER A 29 12.155 -1.261 7.046 1.00 0.00 C ATOM 412 OG SER A 29 12.077 -1.743 8.377 1.00 0.00 O ATOM 0 H SER A 29 11.737 -1.003 4.565 1.00 0.00 H new ATOM 0 HA SER A 29 10.137 -1.957 6.804 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.778 -1.928 6.450 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.637 -0.283 7.038 1.00 0.00 H new ATOM 0 HG SER A 29 12.979 -1.803 8.756 1.00 0.00 H new ATOM 418 N ARG A 30 9.243 0.155 7.776 1.00 0.00 N ATOM 419 CA ARG A 30 8.562 1.363 8.225 1.00 0.00 C ATOM 420 C ARG A 30 9.475 2.579 8.103 1.00 0.00 C ATOM 421 O ARG A 30 9.043 3.654 7.683 1.00 0.00 O ATOM 422 CB ARG A 30 8.097 1.204 9.674 1.00 0.00 C ATOM 423 CG ARG A 30 9.167 0.646 10.598 1.00 0.00 C ATOM 424 CD ARG A 30 8.560 0.070 11.868 1.00 0.00 C ATOM 425 NE ARG A 30 7.894 1.094 12.669 1.00 0.00 N ATOM 426 CZ ARG A 30 7.282 0.845 13.821 1.00 0.00 C ATOM 427 NH1 ARG A 30 7.253 -0.390 14.305 1.00 0.00 N ATOM 428 NH2 ARG A 30 6.698 1.830 14.491 1.00 0.00 N ATOM 0 H ARG A 30 8.982 -0.690 8.284 1.00 0.00 H new ATOM 0 HA ARG A 30 7.692 1.518 7.587 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.773 2.174 10.051 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.229 0.546 9.698 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.730 -0.129 10.078 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.874 1.435 10.856 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.844 -0.709 11.607 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.342 -0.403 12.462 1.00 0.00 H new ATOM 0 HE ARG A 30 7.899 2.054 12.324 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.701 -1.149 13.792 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.783 -0.580 15.190 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.719 2.780 14.121 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.228 1.637 15.376 1.00 0.00 H new ATOM 442 N LEU A 31 10.739 2.403 8.471 1.00 0.00 N ATOM 443 CA LEU A 31 11.714 3.486 8.403 1.00 0.00 C ATOM 444 C LEU A 31 11.796 4.058 6.992 1.00 0.00 C ATOM 445 O LEU A 31 11.452 5.216 6.760 1.00 0.00 O ATOM 446 CB LEU A 31 13.091 2.987 8.844 1.00 0.00 C ATOM 447 CG LEU A 31 13.134 2.210 10.161 1.00 0.00 C ATOM 448 CD1 LEU A 31 12.139 2.788 11.155 1.00 0.00 C ATOM 449 CD2 LEU A 31 12.851 0.735 9.917 1.00 0.00 C ATOM 0 H LEU A 31 11.113 1.520 8.820 1.00 0.00 H new ATOM 0 HA LEU A 31 11.388 4.278 9.077 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.494 2.350 8.056 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.756 3.846 8.930 1.00 0.00 H new ATOM 0 HG LEU A 31 14.134 2.304 10.584 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.184 2.222 12.086 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.386 3.831 11.352 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.133 2.725 10.741 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.885 0.196 10.864 1.00 0.00 H new ATOM 0 HD22 LEU A 31 11.863 0.623 9.472 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.602 0.327 9.240 1.00 0.00 H new ATOM 461 N GLU A 32 12.251 3.236 6.052 1.00 0.00 N ATOM 462 CA GLU A 32 12.376 3.660 4.662 1.00 0.00 C ATOM 463 C GLU A 32 11.077 4.289 4.166 1.00 0.00 C ATOM 464 O GLU A 32 11.088 5.351 3.543 1.00 0.00 O ATOM 465 CB GLU A 32 12.752 2.472 3.775 1.00 0.00 C ATOM 466 CG GLU A 32 14.225 2.108 3.835 1.00 0.00 C ATOM 467 CD GLU A 32 14.640 1.166 2.721 1.00 0.00 C ATOM 468 OE1 GLU A 32 14.200 -0.002 2.736 1.00 0.00 O ATOM 469 OE2 GLU A 32 15.405 1.599 1.833 1.00 0.00 O ATOM 0 H GLU A 32 12.539 2.273 6.227 1.00 0.00 H new ATOM 0 HA GLU A 32 13.166 4.409 4.607 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.160 1.606 4.072 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.485 2.701 2.743 1.00 0.00 H new ATOM 0 HG2 GLU A 32 14.823 3.018 3.778 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.442 1.644 4.797 1.00 0.00 H new ATOM 476 N ALA A 33 9.960 3.627 4.448 1.00 0.00 N ATOM 477 CA ALA A 33 8.653 4.121 4.033 1.00 0.00 C ATOM 478 C ALA A 33 8.418 5.540 4.536 1.00 0.00 C ATOM 479 O ALA A 33 8.164 6.452 3.749 1.00 0.00 O ATOM 480 CB ALA A 33 7.556 3.193 4.533 1.00 0.00 C ATOM 0 H ALA A 33 9.934 2.747 4.962 1.00 0.00 H new ATOM 0 HA ALA A 33 8.628 4.141 2.943 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.585 3.574 4.216 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.707 2.196 4.120 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.589 3.144 5.621 1.00 0.00 H new ATOM 486 N GLN A 34 8.503 5.720 5.850 1.00 0.00 N ATOM 487 CA GLN A 34 8.298 7.029 6.457 1.00 0.00 C ATOM 488 C GLN A 34 9.066 8.107 5.699 1.00 0.00 C ATOM 489 O GLN A 34 8.471 9.018 5.121 1.00 0.00 O ATOM 490 CB GLN A 34 8.736 7.011 7.923 1.00 0.00 C ATOM 491 CG GLN A 34 8.026 8.044 8.783 1.00 0.00 C ATOM 492 CD GLN A 34 8.828 8.432 10.008 1.00 0.00 C ATOM 493 OE1 GLN A 34 9.875 7.848 10.291 1.00 0.00 O ATOM 494 NE2 GLN A 34 8.342 9.424 10.745 1.00 0.00 N ATOM 0 H GLN A 34 8.713 4.975 6.515 1.00 0.00 H new ATOM 0 HA GLN A 34 7.234 7.261 6.406 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.553 6.019 8.336 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.811 7.184 7.975 1.00 0.00 H new ATOM 0 HG2 GLN A 34 7.828 8.934 8.186 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.060 7.649 9.096 1.00 0.00 H new ATOM 0 HE21 GLN A 34 7.471 9.881 10.475 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.840 9.729 11.581 1.00 0.00 H new ATOM 503 N LEU A 35 10.390 7.998 5.705 1.00 0.00 N ATOM 504 CA LEU A 35 11.240 8.964 5.017 1.00 0.00 C ATOM 505 C LEU A 35 10.910 9.017 3.529 1.00 0.00 C ATOM 506 O LEU A 35 10.974 10.078 2.906 1.00 0.00 O ATOM 507 CB LEU A 35 12.714 8.604 5.212 1.00 0.00 C ATOM 508 CG LEU A 35 13.322 7.673 4.163 1.00 0.00 C ATOM 509 CD1 LEU A 35 13.573 8.423 2.864 1.00 0.00 C ATOM 510 CD2 LEU A 35 14.613 7.056 4.682 1.00 0.00 C ATOM 0 H LEU A 35 10.898 7.251 6.178 1.00 0.00 H new ATOM 0 HA LEU A 35 11.052 9.948 5.447 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.294 9.527 5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.827 8.138 6.191 1.00 0.00 H new ATOM 0 HG LEU A 35 12.613 6.870 3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 35 14.006 7.744 2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.631 8.817 2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 35 14.263 9.247 3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 35 15.032 6.396 3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.328 7.846 4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.405 6.483 5.586 1.00 0.00 H new ATOM 522 N LEU A 36 10.557 7.868 2.965 1.00 0.00 N ATOM 523 CA LEU A 36 10.214 7.784 1.550 1.00 0.00 C ATOM 524 C LEU A 36 9.050 8.710 1.214 1.00 0.00 C ATOM 525 O LEU A 36 9.068 9.405 0.198 1.00 0.00 O ATOM 526 CB LEU A 36 9.858 6.344 1.175 1.00 0.00 C ATOM 527 CG LEU A 36 11.019 5.466 0.703 1.00 0.00 C ATOM 528 CD1 LEU A 36 10.663 3.994 0.833 1.00 0.00 C ATOM 529 CD2 LEU A 36 11.390 5.802 -0.734 1.00 0.00 C ATOM 0 H LEU A 36 10.501 6.981 3.466 1.00 0.00 H new ATOM 0 HA LEU A 36 11.083 8.100 0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.397 5.868 2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.105 6.370 0.387 1.00 0.00 H new ATOM 0 HG LEU A 36 11.882 5.666 1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.501 3.386 0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.447 3.763 1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.786 3.777 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.217 5.168 -1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.530 5.630 -1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.689 6.848 -0.798 1.00 0.00 H new ATOM 541 N LEU A 37 8.039 8.717 2.077 1.00 0.00 N ATOM 542 CA LEU A 37 6.866 9.560 1.875 1.00 0.00 C ATOM 543 C LEU A 37 7.275 10.969 1.457 1.00 0.00 C ATOM 544 O LEU A 37 6.882 11.448 0.393 1.00 0.00 O ATOM 545 CB LEU A 37 6.028 9.617 3.153 1.00 0.00 C ATOM 546 CG LEU A 37 5.547 8.274 3.701 1.00 0.00 C ATOM 547 CD1 LEU A 37 4.582 8.485 4.857 1.00 0.00 C ATOM 548 CD2 LEU A 37 4.893 7.452 2.600 1.00 0.00 C ATOM 0 H LEU A 37 8.009 8.148 2.923 1.00 0.00 H new ATOM 0 HA LEU A 37 6.267 9.123 1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.615 10.113 3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.156 10.243 2.964 1.00 0.00 H new ATOM 0 HG LEU A 37 6.411 7.723 4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.250 7.518 5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.084 9.033 5.654 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.720 9.055 4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.557 6.499 3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.038 7.996 2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.615 7.271 1.804 1.00 0.00 H new ATOM 560 N GLU A 38 8.066 11.625 2.299 1.00 0.00 N ATOM 561 CA GLU A 38 8.527 12.979 2.015 1.00 0.00 C ATOM 562 C GLU A 38 9.399 13.004 0.762 1.00 0.00 C ATOM 563 O GLU A 38 9.298 13.917 -0.058 1.00 0.00 O ATOM 564 CB GLU A 38 9.312 13.534 3.205 1.00 0.00 C ATOM 565 CG GLU A 38 10.479 12.658 3.628 1.00 0.00 C ATOM 566 CD GLU A 38 11.450 13.381 4.541 1.00 0.00 C ATOM 567 OE1 GLU A 38 12.392 14.015 4.021 1.00 0.00 O ATOM 568 OE2 GLU A 38 11.270 13.311 5.775 1.00 0.00 O ATOM 0 H GLU A 38 8.401 11.242 3.183 1.00 0.00 H new ATOM 0 HA GLU A 38 7.652 13.605 1.842 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.687 14.526 2.951 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.635 13.656 4.051 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.098 11.773 4.137 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.009 12.312 2.741 1.00 0.00 H new ATOM 575 N ARG A 39 10.253 11.996 0.621 1.00 0.00 N ATOM 576 CA ARG A 39 11.143 11.904 -0.529 1.00 0.00 C ATOM 577 C ARG A 39 10.359 12.024 -1.833 1.00 0.00 C ATOM 578 O ARG A 39 10.673 12.858 -2.683 1.00 0.00 O ATOM 579 CB ARG A 39 11.910 10.581 -0.503 1.00 0.00 C ATOM 580 CG ARG A 39 13.210 10.647 0.282 1.00 0.00 C ATOM 581 CD ARG A 39 14.168 9.540 -0.134 1.00 0.00 C ATOM 582 NE ARG A 39 15.563 9.916 0.081 1.00 0.00 N ATOM 583 CZ ARG A 39 16.568 9.047 0.075 1.00 0.00 C ATOM 584 NH1 ARG A 39 16.332 7.758 -0.132 1.00 0.00 N ATOM 585 NH2 ARG A 39 17.810 9.464 0.279 1.00 0.00 N ATOM 0 H ARG A 39 10.347 11.231 1.289 1.00 0.00 H new ATOM 0 HA ARG A 39 11.853 12.729 -0.474 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.273 9.810 -0.070 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.128 10.277 -1.527 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.682 11.617 0.125 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.998 10.565 1.348 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.945 8.635 0.432 1.00 0.00 H new ATOM 0 HD3 ARG A 39 14.014 9.304 -1.187 1.00 0.00 H new ATOM 0 HE ARG A 39 15.777 10.900 0.245 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.378 7.433 -0.287 1.00 0.00 H new ATOM 0 HH12 ARG A 39 17.105 7.092 -0.136 1.00 0.00 H new ATOM 0 HH21 ARG A 39 17.996 10.454 0.441 1.00 0.00 H new ATOM 0 HH22 ARG A 39 18.580 8.795 0.274 1.00 0.00 H new ATOM 599 N TYR A 40 9.341 11.185 -1.984 1.00 0.00 N ATOM 600 CA TYR A 40 8.515 11.195 -3.185 1.00 0.00 C ATOM 601 C TYR A 40 7.137 11.783 -2.895 1.00 0.00 C ATOM 602 O TYR A 40 6.156 11.065 -2.699 1.00 0.00 O ATOM 603 CB TYR A 40 8.369 9.777 -3.741 1.00 0.00 C ATOM 604 CG TYR A 40 9.686 9.130 -4.103 1.00 0.00 C ATOM 605 CD1 TYR A 40 10.571 8.709 -3.116 1.00 0.00 C ATOM 606 CD2 TYR A 40 10.049 8.940 -5.430 1.00 0.00 C ATOM 607 CE1 TYR A 40 11.776 8.118 -3.441 1.00 0.00 C ATOM 608 CE2 TYR A 40 11.251 8.348 -5.765 1.00 0.00 C ATOM 609 CZ TYR A 40 12.112 7.940 -4.767 1.00 0.00 C ATOM 610 OH TYR A 40 13.312 7.351 -5.096 1.00 0.00 O ATOM 0 H TYR A 40 9.068 10.489 -1.290 1.00 0.00 H new ATOM 0 HA TYR A 40 9.008 11.821 -3.928 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.860 9.157 -3.003 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.733 9.806 -4.626 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.311 8.847 -2.077 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.379 9.261 -6.214 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.451 7.797 -2.662 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.516 8.205 -6.802 1.00 0.00 H new ATOM 0 HH TYR A 40 13.394 7.299 -6.071 1.00 0.00 H new ATOM 620 N PRO A 41 7.061 13.121 -2.866 1.00 0.00 N ATOM 621 CA PRO A 41 5.810 13.838 -2.601 1.00 0.00 C ATOM 622 C PRO A 41 4.813 13.708 -3.748 1.00 0.00 C ATOM 623 O PRO A 41 3.685 14.188 -3.658 1.00 0.00 O ATOM 624 CB PRO A 41 6.260 15.292 -2.445 1.00 0.00 C ATOM 625 CG PRO A 41 7.527 15.382 -3.222 1.00 0.00 C ATOM 626 CD PRO A 41 8.190 14.040 -3.090 1.00 0.00 C ATOM 0 HA PRO A 41 5.291 13.443 -1.728 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.509 15.982 -2.830 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.419 15.547 -1.397 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.328 15.618 -4.267 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.168 16.174 -2.833 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.749 13.778 -3.988 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.895 14.020 -2.259 1.00 0.00 H new ATOM 634 N GLU A 42 5.240 13.054 -4.825 1.00 0.00 N ATOM 635 CA GLU A 42 4.384 12.863 -5.990 1.00 0.00 C ATOM 636 C GLU A 42 3.911 11.416 -6.085 1.00 0.00 C ATOM 637 O GLU A 42 2.735 11.151 -6.340 1.00 0.00 O ATOM 638 CB GLU A 42 5.129 13.254 -7.268 1.00 0.00 C ATOM 639 CG GLU A 42 6.393 12.445 -7.506 1.00 0.00 C ATOM 640 CD GLU A 42 7.387 13.165 -8.396 1.00 0.00 C ATOM 641 OE1 GLU A 42 7.069 13.385 -9.584 1.00 0.00 O ATOM 642 OE2 GLU A 42 8.483 13.509 -7.905 1.00 0.00 O ATOM 0 H GLU A 42 6.172 12.649 -4.914 1.00 0.00 H new ATOM 0 HA GLU A 42 3.511 13.506 -5.877 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.461 13.129 -8.121 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.388 14.312 -7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.863 12.222 -6.548 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.129 11.490 -7.961 1.00 0.00 H new ATOM 649 N CYS A 43 4.835 10.483 -5.880 1.00 0.00 N ATOM 650 CA CYS A 43 4.514 9.062 -5.945 1.00 0.00 C ATOM 651 C CYS A 43 3.308 8.737 -5.069 1.00 0.00 C ATOM 652 O CYS A 43 2.512 7.856 -5.393 1.00 0.00 O ATOM 653 CB CYS A 43 5.718 8.226 -5.507 1.00 0.00 C ATOM 654 SG CYS A 43 7.047 8.149 -6.731 1.00 0.00 S ATOM 0 H CYS A 43 5.812 10.685 -5.668 1.00 0.00 H new ATOM 0 HA CYS A 43 4.267 8.817 -6.978 1.00 0.00 H new ATOM 0 HB2 CYS A 43 6.116 8.639 -4.580 1.00 0.00 H new ATOM 0 HB3 CYS A 43 5.382 7.213 -5.286 1.00 0.00 H new ATOM 0 HG CYS A 43 8.196 8.236 -6.130 1.00 0.00 H new ATOM 660 N GLY A 44 3.182 9.452 -3.955 1.00 0.00 N ATOM 661 CA GLY A 44 2.072 9.224 -3.049 1.00 0.00 C ATOM 662 C GLY A 44 2.504 9.208 -1.596 1.00 0.00 C ATOM 663 O GLY A 44 3.668 9.459 -1.285 1.00 0.00 O ATOM 0 H GLY A 44 3.829 10.185 -3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.323 10.003 -3.194 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.596 8.274 -3.294 1.00 0.00 H new ATOM 667 N ASN A 45 1.564 8.913 -0.703 1.00 0.00 N ATOM 668 CA ASN A 45 1.853 8.867 0.725 1.00 0.00 C ATOM 669 C ASN A 45 1.321 7.580 1.348 1.00 0.00 C ATOM 670 O ASN A 45 1.898 7.052 2.298 1.00 0.00 O ATOM 671 CB ASN A 45 1.240 10.079 1.429 1.00 0.00 C ATOM 672 CG ASN A 45 -0.251 10.200 1.181 1.00 0.00 C ATOM 673 OD1 ASN A 45 -0.681 10.597 0.098 1.00 0.00 O ATOM 674 ND2 ASN A 45 -1.047 9.855 2.185 1.00 0.00 N ATOM 0 H ASN A 45 0.596 8.702 -0.944 1.00 0.00 H new ATOM 0 HA ASN A 45 2.935 8.890 0.852 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.422 10.003 2.501 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.737 10.986 1.084 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.060 9.913 2.076 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.646 9.531 3.065 1.00 0.00 H new ATOM 681 N LEU A 46 0.216 7.080 0.804 1.00 0.00 N ATOM 682 CA LEU A 46 -0.395 5.853 1.305 1.00 0.00 C ATOM 683 C LEU A 46 0.246 4.625 0.666 1.00 0.00 C ATOM 684 O LEU A 46 -0.148 4.200 -0.419 1.00 0.00 O ATOM 685 CB LEU A 46 -1.899 5.860 1.029 1.00 0.00 C ATOM 686 CG LEU A 46 -2.608 4.509 1.139 1.00 0.00 C ATOM 687 CD1 LEU A 46 -3.109 4.285 2.557 1.00 0.00 C ATOM 688 CD2 LEU A 46 -3.757 4.427 0.146 1.00 0.00 C ATOM 0 H LEU A 46 -0.274 7.505 0.017 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.230 5.807 2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.372 6.554 1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.062 6.253 0.025 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.892 3.723 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.611 3.319 2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.266 4.299 3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.810 5.076 2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.250 3.459 0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.475 5.221 0.354 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.371 4.542 -0.867 1.00 0.00 H new ATOM 700 N LEU A 47 1.236 4.059 1.349 1.00 0.00 N ATOM 701 CA LEU A 47 1.931 2.877 0.849 1.00 0.00 C ATOM 702 C LEU A 47 1.556 1.642 1.662 1.00 0.00 C ATOM 703 O LEU A 47 0.718 1.708 2.562 1.00 0.00 O ATOM 704 CB LEU A 47 3.444 3.093 0.897 1.00 0.00 C ATOM 705 CG LEU A 47 4.115 2.847 2.249 1.00 0.00 C ATOM 706 CD1 LEU A 47 5.542 2.356 2.055 1.00 0.00 C ATOM 707 CD2 LEU A 47 4.094 4.112 3.094 1.00 0.00 C ATOM 0 H LEU A 47 1.575 4.399 2.249 1.00 0.00 H new ATOM 0 HA LEU A 47 1.626 2.716 -0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.908 2.438 0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.654 4.118 0.591 1.00 0.00 H new ATOM 0 HG LEU A 47 3.555 2.074 2.775 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.004 2.186 3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.532 1.424 1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.114 3.106 1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.576 3.918 4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.629 4.906 2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.062 4.420 3.263 1.00 0.00 H new ATOM 719 N LEU A 48 2.184 0.516 1.340 1.00 0.00 N ATOM 720 CA LEU A 48 1.918 -0.736 2.041 1.00 0.00 C ATOM 721 C LEU A 48 3.193 -1.560 2.185 1.00 0.00 C ATOM 722 O LEU A 48 3.914 -1.781 1.211 1.00 0.00 O ATOM 723 CB LEU A 48 0.855 -1.544 1.296 1.00 0.00 C ATOM 724 CG LEU A 48 -0.573 -1.001 1.364 1.00 0.00 C ATOM 725 CD1 LEU A 48 -0.824 -0.016 0.233 1.00 0.00 C ATOM 726 CD2 LEU A 48 -1.580 -2.141 1.315 1.00 0.00 C ATOM 0 H LEU A 48 2.881 0.444 0.598 1.00 0.00 H new ATOM 0 HA LEU A 48 1.549 -0.495 3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.147 -1.611 0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.855 -2.559 1.693 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.696 -0.475 2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.845 0.360 0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.125 0.817 0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.682 -0.517 -0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.591 -1.736 1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.457 -2.696 0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.415 -2.809 2.160 1.00 0.00 H new ATOM 738 N ARG A 49 3.464 -2.014 3.404 1.00 0.00 N ATOM 739 CA ARG A 49 4.651 -2.815 3.675 1.00 0.00 C ATOM 740 C ARG A 49 4.280 -4.115 4.384 1.00 0.00 C ATOM 741 O ARG A 49 3.385 -4.156 5.228 1.00 0.00 O ATOM 742 CB ARG A 49 5.644 -2.023 4.527 1.00 0.00 C ATOM 743 CG ARG A 49 5.082 -1.587 5.871 1.00 0.00 C ATOM 744 CD ARG A 49 6.183 -1.409 6.904 1.00 0.00 C ATOM 745 NE ARG A 49 5.680 -1.541 8.269 1.00 0.00 N ATOM 746 CZ ARG A 49 4.887 -0.647 8.848 1.00 0.00 C ATOM 747 NH1 ARG A 49 4.508 0.438 8.186 1.00 0.00 N ATOM 748 NH2 ARG A 49 4.471 -0.836 10.094 1.00 0.00 N ATOM 0 H ARG A 49 2.877 -1.841 4.220 1.00 0.00 H new ATOM 0 HA ARG A 49 5.117 -3.061 2.721 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.532 -2.632 4.695 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.962 -1.140 3.972 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.538 -0.650 5.752 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.366 -2.329 6.225 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.964 -2.150 6.732 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.641 -0.428 6.780 1.00 0.00 H new ATOM 0 HE ARG A 49 5.953 -2.364 8.806 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.826 0.588 7.228 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.899 1.122 8.634 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.760 -1.668 10.608 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.862 -0.149 10.538 1.00 0.00 H new ATOM 762 N PRO A 50 4.982 -5.202 4.033 1.00 0.00 N ATOM 763 CA PRO A 50 4.745 -6.522 4.623 1.00 0.00 C ATOM 764 C PRO A 50 5.181 -6.591 6.082 1.00 0.00 C ATOM 765 O PRO A 50 6.205 -6.025 6.462 1.00 0.00 O ATOM 766 CB PRO A 50 5.604 -7.454 3.765 1.00 0.00 C ATOM 767 CG PRO A 50 6.684 -6.583 3.222 1.00 0.00 C ATOM 768 CD PRO A 50 6.064 -5.225 3.033 1.00 0.00 C ATOM 0 HA PRO A 50 3.686 -6.781 4.629 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.015 -8.271 4.358 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.019 -7.905 2.964 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.529 -6.534 3.909 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.063 -6.974 2.278 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.786 -4.426 3.204 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.679 -5.096 2.021 1.00 0.00 H new ATOM 776 N SER A 51 4.396 -7.290 6.897 1.00 0.00 N ATOM 777 CA SER A 51 4.699 -7.430 8.317 1.00 0.00 C ATOM 778 C SER A 51 4.727 -8.901 8.724 1.00 0.00 C ATOM 779 O SER A 51 3.766 -9.635 8.502 1.00 0.00 O ATOM 780 CB SER A 51 3.665 -6.676 9.157 1.00 0.00 C ATOM 781 OG SER A 51 4.019 -5.311 9.295 1.00 0.00 O ATOM 0 H SER A 51 3.546 -7.768 6.598 1.00 0.00 H new ATOM 0 HA SER A 51 5.685 -7.002 8.497 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.684 -6.755 8.689 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.586 -7.136 10.142 1.00 0.00 H new ATOM 0 HG SER A 51 3.342 -4.850 9.834 1.00 0.00 H new ATOM 835 N GLY A 57 -0.172 -10.117 8.277 1.00 0.00 N ATOM 836 CA GLY A 57 -0.548 -9.292 7.146 1.00 0.00 C ATOM 837 C GLY A 57 0.415 -8.142 6.922 1.00 0.00 C ATOM 838 O GLY A 57 1.567 -8.195 7.351 1.00 0.00 O ATOM 0 HA2 GLY A 57 -0.588 -9.908 6.248 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.551 -8.896 7.306 1.00 0.00 H new ATOM 842 N VAL A 58 -0.057 -7.100 6.245 1.00 0.00 N ATOM 843 CA VAL A 58 0.770 -5.932 5.963 1.00 0.00 C ATOM 844 C VAL A 58 0.280 -4.713 6.737 1.00 0.00 C ATOM 845 O VAL A 58 -0.861 -4.674 7.198 1.00 0.00 O ATOM 846 CB VAL A 58 0.782 -5.603 4.460 1.00 0.00 C ATOM 847 CG1 VAL A 58 1.332 -6.774 3.660 1.00 0.00 C ATOM 848 CG2 VAL A 58 -0.615 -5.232 3.984 1.00 0.00 C ATOM 0 H VAL A 58 -1.008 -7.041 5.881 1.00 0.00 H new ATOM 0 HA VAL A 58 1.784 -6.177 6.281 1.00 0.00 H new ATOM 0 HB VAL A 58 1.436 -4.746 4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.332 -6.522 2.600 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.351 -6.988 3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.707 -7.652 3.824 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.587 -5.002 2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.293 -6.068 4.158 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.967 -4.359 4.534 1.00 0.00 H new ATOM 858 N SER A 59 1.150 -3.717 6.874 1.00 0.00 N ATOM 859 CA SER A 59 0.807 -2.497 7.594 1.00 0.00 C ATOM 860 C SER A 59 0.730 -1.307 6.642 1.00 0.00 C ATOM 861 O SER A 59 1.616 -1.105 5.810 1.00 0.00 O ATOM 862 CB SER A 59 1.837 -2.220 8.691 1.00 0.00 C ATOM 863 OG SER A 59 1.300 -1.376 9.694 1.00 0.00 O ATOM 0 H SER A 59 2.097 -3.731 6.496 1.00 0.00 H new ATOM 0 HA SER A 59 -0.172 -2.638 8.052 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.159 -3.161 9.137 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.721 -1.755 8.255 1.00 0.00 H new ATOM 0 HG SER A 59 1.977 -1.216 10.384 1.00 0.00 H new ATOM 869 N VAL A 60 -0.334 -0.522 6.770 1.00 0.00 N ATOM 870 CA VAL A 60 -0.528 0.648 5.922 1.00 0.00 C ATOM 871 C VAL A 60 -0.026 1.913 6.610 1.00 0.00 C ATOM 872 O VAL A 60 -0.483 2.266 7.697 1.00 0.00 O ATOM 873 CB VAL A 60 -2.011 0.833 5.550 1.00 0.00 C ATOM 874 CG1 VAL A 60 -2.194 2.068 4.682 1.00 0.00 C ATOM 875 CG2 VAL A 60 -2.542 -0.407 4.846 1.00 0.00 C ATOM 0 H VAL A 60 -1.076 -0.675 7.453 1.00 0.00 H new ATOM 0 HA VAL A 60 0.048 0.479 5.012 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.583 0.975 6.467 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.248 2.182 4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.854 2.949 5.226 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.611 1.959 3.767 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.591 -0.259 4.590 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.968 -0.583 3.936 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.448 -1.269 5.507 1.00 0.00 H new ATOM 885 N THR A 61 0.918 2.594 5.967 1.00 0.00 N ATOM 886 CA THR A 61 1.484 3.819 6.516 1.00 0.00 C ATOM 887 C THR A 61 1.000 5.042 5.745 1.00 0.00 C ATOM 888 O THR A 61 1.304 5.206 4.563 1.00 0.00 O ATOM 889 CB THR A 61 3.024 3.788 6.491 1.00 0.00 C ATOM 890 OG1 THR A 61 3.501 2.626 7.176 1.00 0.00 O ATOM 891 CG2 THR A 61 3.601 5.038 7.140 1.00 0.00 C ATOM 0 H THR A 61 1.306 2.317 5.065 1.00 0.00 H new ATOM 0 HA THR A 61 1.146 3.887 7.550 1.00 0.00 H new ATOM 0 HB THR A 61 3.348 3.755 5.451 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.165 2.891 7.846 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.690 4.994 7.111 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.259 5.920 6.599 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.268 5.097 8.176 1.00 0.00 H new ATOM 899 N THR A 62 0.242 5.900 6.421 1.00 0.00 N ATOM 900 CA THR A 62 -0.286 7.108 5.799 1.00 0.00 C ATOM 901 C THR A 62 0.218 8.358 6.512 1.00 0.00 C ATOM 902 O THR A 62 0.213 8.428 7.741 1.00 0.00 O ATOM 903 CB THR A 62 -1.826 7.115 5.802 1.00 0.00 C ATOM 904 OG1 THR A 62 -2.314 6.998 7.143 1.00 0.00 O ATOM 905 CG2 THR A 62 -2.373 5.974 4.956 1.00 0.00 C ATOM 0 H THR A 62 -0.020 5.781 7.400 1.00 0.00 H new ATOM 0 HA THR A 62 0.067 7.113 4.768 1.00 0.00 H new ATOM 0 HB THR A 62 -2.164 8.059 5.374 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.667 7.395 7.762 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.463 5.999 4.973 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.023 6.082 3.929 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.025 5.023 5.359 1.00 0.00 H new ATOM 913 N ARG A 63 0.650 9.344 5.732 1.00 0.00 N ATOM 914 CA ARG A 63 1.157 10.592 6.290 1.00 0.00 C ATOM 915 C ARG A 63 0.430 11.791 5.689 1.00 0.00 C ATOM 916 O ARG A 63 0.885 12.376 4.706 1.00 0.00 O ATOM 917 CB ARG A 63 2.661 10.715 6.037 1.00 0.00 C ATOM 918 CG ARG A 63 3.262 12.010 6.557 1.00 0.00 C ATOM 919 CD ARG A 63 4.777 12.011 6.430 1.00 0.00 C ATOM 920 NE ARG A 63 5.367 13.258 6.910 1.00 0.00 N ATOM 921 CZ ARG A 63 5.292 14.408 6.250 1.00 0.00 C ATOM 922 NH1 ARG A 63 4.657 14.469 5.088 1.00 0.00 N ATOM 923 NH2 ARG A 63 5.853 15.501 6.752 1.00 0.00 N ATOM 0 H ARG A 63 0.659 9.303 4.713 1.00 0.00 H new ATOM 0 HA ARG A 63 0.976 10.580 7.365 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.170 9.874 6.507 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.848 10.642 4.966 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.849 12.853 6.003 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.983 12.148 7.602 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.188 11.175 6.995 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.053 11.858 5.387 1.00 0.00 H new ATOM 0 HE ARG A 63 5.864 13.245 7.801 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.224 13.631 4.699 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.601 15.354 4.583 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.343 15.458 7.646 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.795 16.384 6.244 1.00 0.00 H new ATOM 937 N GLN A 64 -0.702 12.150 6.286 1.00 0.00 N ATOM 938 CA GLN A 64 -1.492 13.279 5.809 1.00 0.00 C ATOM 939 C GLN A 64 -1.161 14.545 6.591 1.00 0.00 C ATOM 940 O GLN A 64 -0.523 14.488 7.641 1.00 0.00 O ATOM 941 CB GLN A 64 -2.985 12.969 5.925 1.00 0.00 C ATOM 942 CG GLN A 64 -3.349 12.187 7.178 1.00 0.00 C ATOM 943 CD GLN A 64 -4.766 12.456 7.644 1.00 0.00 C ATOM 944 OE1 GLN A 64 -5.114 13.586 7.987 1.00 0.00 O ATOM 945 NE2 GLN A 64 -5.592 11.416 7.659 1.00 0.00 N ATOM 0 H GLN A 64 -1.092 11.676 7.100 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.243 13.447 4.761 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.544 13.905 5.916 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.299 12.402 5.049 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.231 11.121 6.983 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.653 12.444 7.977 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.260 10.497 7.366 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.558 11.536 7.963 1.00 0.00 H new ATOM 954 N MET A 65 -1.599 15.688 6.071 1.00 0.00 N ATOM 955 CA MET A 65 -1.349 16.968 6.722 1.00 0.00 C ATOM 956 C MET A 65 -2.575 17.429 7.505 1.00 0.00 C ATOM 957 O MET A 65 -3.493 18.028 6.944 1.00 0.00 O ATOM 958 CB MET A 65 -0.965 18.025 5.685 1.00 0.00 C ATOM 959 CG MET A 65 0.529 18.098 5.416 1.00 0.00 C ATOM 960 SD MET A 65 1.052 19.723 4.835 1.00 0.00 S ATOM 961 CE MET A 65 0.848 20.696 6.324 1.00 0.00 C ATOM 0 H MET A 65 -2.128 15.753 5.201 1.00 0.00 H new ATOM 0 HA MET A 65 -0.522 16.837 7.420 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.484 17.811 4.751 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.312 19.000 6.026 1.00 0.00 H new ATOM 0 HG2 MET A 65 1.071 17.851 6.329 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.798 17.347 4.673 1.00 0.00 H new ATOM 0 HE1 MET A 65 0.145 21.507 6.135 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.464 20.062 7.123 1.00 0.00 H new ATOM 0 HE3 MET A 65 1.811 21.112 6.622 1.00 0.00 H new ATOM 971 N HIS A 66 -2.584 17.143 8.803 1.00 0.00 N ATOM 972 CA HIS A 66 -3.697 17.529 9.664 1.00 0.00 C ATOM 973 C HIS A 66 -3.298 18.674 10.589 1.00 0.00 C ATOM 974 O HIS A 66 -2.210 18.670 11.163 1.00 0.00 O ATOM 975 CB HIS A 66 -4.170 16.331 10.488 1.00 0.00 C ATOM 976 CG HIS A 66 -5.552 16.495 11.043 1.00 0.00 C ATOM 977 ND1 HIS A 66 -5.942 15.969 12.256 1.00 0.00 N ATOM 978 CD2 HIS A 66 -6.637 17.129 10.542 1.00 0.00 C ATOM 979 CE1 HIS A 66 -7.209 16.273 12.478 1.00 0.00 C ATOM 980 NE2 HIS A 66 -7.654 16.977 11.453 1.00 0.00 N ATOM 0 H HIS A 66 -1.833 16.645 9.282 1.00 0.00 H new ATOM 0 HA HIS A 66 -4.515 17.869 9.029 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -4.141 15.437 9.865 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -3.474 16.168 11.311 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.693 17.656 9.601 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -7.783 15.993 13.349 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -8.599 17.348 11.354 1.00 0.00 H new ATOM 989 N ASN A 67 -4.186 19.653 10.728 1.00 0.00 N ATOM 990 CA ASN A 67 -3.926 20.805 11.583 1.00 0.00 C ATOM 991 C ASN A 67 -2.586 21.446 11.238 1.00 0.00 C ATOM 992 O ASN A 67 -1.941 22.058 12.089 1.00 0.00 O ATOM 993 CB ASN A 67 -3.941 20.388 13.056 1.00 0.00 C ATOM 994 CG ASN A 67 -3.869 21.577 13.994 1.00 0.00 C ATOM 995 OD1 ASN A 67 -2.785 21.994 14.403 1.00 0.00 O ATOM 996 ND2 ASN A 67 -5.026 22.129 14.340 1.00 0.00 N ATOM 0 H ASN A 67 -5.092 19.671 10.259 1.00 0.00 H new ATOM 0 HA ASN A 67 -4.714 21.538 11.412 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.849 19.821 13.261 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -3.100 19.723 13.251 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.040 22.932 14.969 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.901 21.750 13.977 1.00 0.00 H new ATOM 1003 N GLY A 68 -2.172 21.301 9.983 1.00 0.00 N ATOM 1004 CA GLY A 68 -0.910 21.872 9.547 1.00 0.00 C ATOM 1005 C GLY A 68 0.277 21.276 10.276 1.00 0.00 C ATOM 1006 O GLY A 68 1.213 21.989 10.643 1.00 0.00 O ATOM 0 H GLY A 68 -2.687 20.799 9.260 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.793 21.711 8.475 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.927 22.950 9.708 1.00 0.00 H new ATOM 1010 N THR A 69 0.243 19.964 10.487 1.00 0.00 N ATOM 1011 CA THR A 69 1.324 19.273 11.179 1.00 0.00 C ATOM 1012 C THR A 69 1.641 17.940 10.509 1.00 0.00 C ATOM 1013 O THR A 69 0.855 17.433 9.709 1.00 0.00 O ATOM 1014 CB THR A 69 0.973 19.019 12.657 1.00 0.00 C ATOM 1015 OG1 THR A 69 2.153 18.664 13.387 1.00 0.00 O ATOM 1016 CG2 THR A 69 -0.061 17.912 12.787 1.00 0.00 C ATOM 0 H THR A 69 -0.522 19.359 10.188 1.00 0.00 H new ATOM 0 HA THR A 69 2.198 19.922 11.127 1.00 0.00 H new ATOM 0 HB THR A 69 0.553 19.936 13.069 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.922 18.506 14.326 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.292 17.752 13.840 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.969 18.198 12.256 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.336 16.992 12.358 1.00 0.00 H new ATOM 1024 N HIS A 70 2.799 17.378 10.841 1.00 0.00 N ATOM 1025 CA HIS A 70 3.221 16.103 10.271 1.00 0.00 C ATOM 1026 C HIS A 70 2.781 14.941 11.158 1.00 0.00 C ATOM 1027 O HIS A 70 3.370 14.690 12.208 1.00 0.00 O ATOM 1028 CB HIS A 70 4.739 16.077 10.094 1.00 0.00 C ATOM 1029 CG HIS A 70 5.495 16.386 11.349 1.00 0.00 C ATOM 1030 ND1 HIS A 70 5.563 17.650 11.896 1.00 0.00 N ATOM 1031 CD2 HIS A 70 6.217 15.584 12.167 1.00 0.00 C ATOM 1032 CE1 HIS A 70 6.295 17.613 12.994 1.00 0.00 C ATOM 1033 NE2 HIS A 70 6.704 16.371 13.182 1.00 0.00 N ATOM 0 H HIS A 70 3.461 17.785 11.501 1.00 0.00 H new ATOM 0 HA HIS A 70 2.747 15.994 9.295 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.037 15.093 9.733 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.019 16.797 9.325 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.380 14.523 12.044 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.521 18.455 13.631 1.00 0.00 H new ATOM 0 HE2 HIS A 70 7.286 16.049 13.955 1.00 0.00 H new ATOM 1042 N VAL A 71 1.741 14.234 10.725 1.00 0.00 N ATOM 1043 CA VAL A 71 1.221 13.099 11.478 1.00 0.00 C ATOM 1044 C VAL A 71 1.490 11.787 10.749 1.00 0.00 C ATOM 1045 O VAL A 71 1.238 11.668 9.549 1.00 0.00 O ATOM 1046 CB VAL A 71 -0.293 13.235 11.727 1.00 0.00 C ATOM 1047 CG1 VAL A 71 -0.574 14.367 12.702 1.00 0.00 C ATOM 1048 CG2 VAL A 71 -1.030 13.456 10.414 1.00 0.00 C ATOM 0 H VAL A 71 1.242 14.428 9.857 1.00 0.00 H new ATOM 0 HA VAL A 71 1.739 13.092 12.437 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.656 12.308 12.170 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.649 14.448 12.866 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.077 14.162 13.650 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.198 15.304 12.290 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.098 13.550 10.608 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.665 14.368 9.941 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.855 12.609 9.751 1.00 0.00 H new ATOM 1058 N VAL A 72 2.003 10.804 11.481 1.00 0.00 N ATOM 1059 CA VAL A 72 2.305 9.499 10.905 1.00 0.00 C ATOM 1060 C VAL A 72 1.694 8.377 11.736 1.00 0.00 C ATOM 1061 O VAL A 72 2.080 8.162 12.886 1.00 0.00 O ATOM 1062 CB VAL A 72 3.824 9.273 10.793 1.00 0.00 C ATOM 1063 CG1 VAL A 72 4.121 7.842 10.368 1.00 0.00 C ATOM 1064 CG2 VAL A 72 4.441 10.265 9.819 1.00 0.00 C ATOM 0 H VAL A 72 2.218 10.886 12.475 1.00 0.00 H new ATOM 0 HA VAL A 72 1.869 9.485 9.906 1.00 0.00 H new ATOM 0 HB VAL A 72 4.271 9.437 11.774 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.199 7.701 10.294 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.714 7.151 11.107 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.662 7.648 9.398 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.515 10.090 9.753 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.991 10.136 8.835 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.260 11.281 10.171 1.00 0.00 H new ATOM 1074 N ARG A 73 0.741 7.663 11.148 1.00 0.00 N ATOM 1075 CA ARG A 73 0.076 6.562 11.834 1.00 0.00 C ATOM 1076 C ARG A 73 0.221 5.263 11.047 1.00 0.00 C ATOM 1077 O ARG A 73 0.645 5.270 9.891 1.00 0.00 O ATOM 1078 CB ARG A 73 -1.405 6.882 12.042 1.00 0.00 C ATOM 1079 CG ARG A 73 -1.691 7.639 13.329 1.00 0.00 C ATOM 1080 CD ARG A 73 -3.024 8.365 13.265 1.00 0.00 C ATOM 1081 NE ARG A 73 -4.146 7.480 13.566 1.00 0.00 N ATOM 1082 CZ ARG A 73 -5.397 7.901 13.710 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -5.686 9.189 13.580 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -6.363 7.034 13.983 1.00 0.00 N ATOM 0 H ARG A 73 0.411 7.827 10.197 1.00 0.00 H new ATOM 0 HA ARG A 73 0.553 6.433 12.806 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.763 7.471 11.197 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.972 5.951 12.045 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.695 6.943 14.168 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.893 8.358 13.514 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.018 9.196 13.971 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.156 8.792 12.271 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.958 6.483 13.671 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.946 9.859 13.369 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.648 9.510 13.691 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.145 6.043 14.083 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.324 7.359 14.093 1.00 0.00 H new ATOM 1098 N HIS A 74 -0.133 4.149 11.682 1.00 0.00 N ATOM 1099 CA HIS A 74 -0.042 2.842 11.040 1.00 0.00 C ATOM 1100 C HIS A 74 -1.336 2.055 11.226 1.00 0.00 C ATOM 1101 O HIS A 74 -2.030 2.212 12.231 1.00 0.00 O ATOM 1102 CB HIS A 74 1.136 2.053 11.609 1.00 0.00 C ATOM 1103 CG HIS A 74 2.394 2.856 11.732 1.00 0.00 C ATOM 1104 ND1 HIS A 74 3.148 3.242 10.644 1.00 0.00 N ATOM 1105 CD2 HIS A 74 3.027 3.350 12.822 1.00 0.00 C ATOM 1106 CE1 HIS A 74 4.192 3.936 11.060 1.00 0.00 C ATOM 1107 NE2 HIS A 74 4.142 4.015 12.377 1.00 0.00 N ATOM 0 H HIS A 74 -0.485 4.126 12.639 1.00 0.00 H new ATOM 0 HA HIS A 74 0.117 2.998 9.973 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.863 1.668 12.592 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.327 1.190 10.970 1.00 0.00 H new ATOM 0 HD2 HIS A 74 2.713 3.241 13.850 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.957 4.366 10.430 1.00 0.00 H new ATOM 0 HE2 HIS A 74 4.822 4.493 12.968 1.00 0.00 H new ATOM 1116 N TYR A 75 -1.654 1.211 10.251 1.00 0.00 N ATOM 1117 CA TYR A 75 -2.866 0.402 10.306 1.00 0.00 C ATOM 1118 C TYR A 75 -2.564 -1.055 9.970 1.00 0.00 C ATOM 1119 O TYR A 75 -2.292 -1.396 8.818 1.00 0.00 O ATOM 1120 CB TYR A 75 -3.916 0.953 9.341 1.00 0.00 C ATOM 1121 CG TYR A 75 -4.158 2.438 9.490 1.00 0.00 C ATOM 1122 CD1 TYR A 75 -4.604 2.971 10.694 1.00 0.00 C ATOM 1123 CD2 TYR A 75 -3.940 3.308 8.431 1.00 0.00 C ATOM 1124 CE1 TYR A 75 -4.827 4.326 10.836 1.00 0.00 C ATOM 1125 CE2 TYR A 75 -4.160 4.666 8.563 1.00 0.00 C ATOM 1126 CZ TYR A 75 -4.603 5.170 9.768 1.00 0.00 C ATOM 1127 OH TYR A 75 -4.824 6.521 9.906 1.00 0.00 O ATOM 0 H TYR A 75 -1.090 1.069 9.413 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.257 0.448 11.322 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -3.601 0.746 8.318 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -4.855 0.423 9.499 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.779 2.314 11.533 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.592 2.917 7.486 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -5.175 4.723 11.778 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.986 5.328 7.728 1.00 0.00 H new ATOM 0 HH TYR A 75 -4.618 6.974 9.062 1.00 0.00 H new ATOM 1137 N LYS A 76 -2.614 -1.912 10.984 1.00 0.00 N ATOM 1138 CA LYS A 76 -2.348 -3.334 10.799 1.00 0.00 C ATOM 1139 C LYS A 76 -3.470 -3.998 10.007 1.00 0.00 C ATOM 1140 O LYS A 76 -4.634 -3.617 10.121 1.00 0.00 O ATOM 1141 CB LYS A 76 -2.189 -4.025 12.155 1.00 0.00 C ATOM 1142 CG LYS A 76 -2.125 -5.539 12.062 1.00 0.00 C ATOM 1143 CD LYS A 76 -3.511 -6.160 12.104 1.00 0.00 C ATOM 1144 CE LYS A 76 -3.480 -7.552 12.717 1.00 0.00 C ATOM 1145 NZ LYS A 76 -3.170 -7.510 14.172 1.00 0.00 N ATOM 0 H LYS A 76 -2.836 -1.646 11.943 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.420 -3.434 10.236 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.281 -3.660 12.635 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.024 -3.744 12.797 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.624 -5.827 11.137 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.525 -5.930 12.884 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.179 -5.522 12.682 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.917 -6.215 11.094 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -4.444 -8.037 12.565 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.733 -8.158 12.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.527 -8.374 14.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.141 -7.448 14.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.625 -6.679 14.600 1.00 0.00 H new ATOM 1159 N VAL A 77 -3.110 -4.995 9.204 1.00 0.00 N ATOM 1160 CA VAL A 77 -4.086 -5.714 8.395 1.00 0.00 C ATOM 1161 C VAL A 77 -4.253 -7.150 8.880 1.00 0.00 C ATOM 1162 O VAL A 77 -3.424 -8.014 8.593 1.00 0.00 O ATOM 1163 CB VAL A 77 -3.680 -5.731 6.908 1.00 0.00 C ATOM 1164 CG1 VAL A 77 -4.670 -6.550 6.094 1.00 0.00 C ATOM 1165 CG2 VAL A 77 -3.578 -4.312 6.369 1.00 0.00 C ATOM 0 H VAL A 77 -2.150 -5.322 9.097 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.033 -5.185 8.500 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.700 -6.200 6.821 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.367 -6.551 5.047 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.689 -7.574 6.467 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.664 -6.113 6.184 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.290 -4.342 5.318 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.543 -3.815 6.467 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.827 -3.761 6.935 1.00 0.00 H new ATOM 1175 N LYS A 78 -5.329 -7.398 9.618 1.00 0.00 N ATOM 1176 CA LYS A 78 -5.607 -8.729 10.144 1.00 0.00 C ATOM 1177 C LYS A 78 -5.901 -9.710 9.014 1.00 0.00 C ATOM 1178 O LYS A 78 -6.422 -9.326 7.966 1.00 0.00 O ATOM 1179 CB LYS A 78 -6.791 -8.681 11.112 1.00 0.00 C ATOM 1180 CG LYS A 78 -7.333 -10.052 11.479 1.00 0.00 C ATOM 1181 CD LYS A 78 -6.446 -10.747 12.498 1.00 0.00 C ATOM 1182 CE LYS A 78 -7.224 -11.776 13.304 1.00 0.00 C ATOM 1183 NZ LYS A 78 -6.602 -12.026 14.633 1.00 0.00 N ATOM 0 H LYS A 78 -6.024 -6.694 9.866 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.722 -9.072 10.679 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.485 -8.165 12.022 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.591 -8.091 10.665 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.341 -9.950 11.882 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.409 -10.666 10.582 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.616 -11.235 11.987 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.014 -10.007 13.171 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.248 -11.430 13.442 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.276 -12.711 12.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.162 -12.733 15.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.633 -12.380 14.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.576 -11.140 15.176 1.00 0.00 H new ATOM 1197 N ARG A 79 -5.566 -10.977 9.233 1.00 0.00 N ATOM 1198 CA ARG A 79 -5.796 -12.013 8.232 1.00 0.00 C ATOM 1199 C ARG A 79 -6.791 -13.051 8.743 1.00 0.00 C ATOM 1200 O ARG A 79 -6.401 -14.063 9.325 1.00 0.00 O ATOM 1201 CB ARG A 79 -4.477 -12.693 7.861 1.00 0.00 C ATOM 1202 CG ARG A 79 -4.478 -13.303 6.468 1.00 0.00 C ATOM 1203 CD ARG A 79 -5.384 -14.521 6.395 1.00 0.00 C ATOM 1204 NE ARG A 79 -5.418 -15.098 5.053 1.00 0.00 N ATOM 1205 CZ ARG A 79 -5.728 -16.366 4.805 1.00 0.00 C ATOM 1206 NH1 ARG A 79 -6.030 -17.185 5.804 1.00 0.00 N ATOM 1207 NH2 ARG A 79 -5.737 -16.817 3.558 1.00 0.00 N ATOM 0 H ARG A 79 -5.134 -11.311 10.095 1.00 0.00 H new ATOM 0 HA ARG A 79 -6.216 -11.540 7.344 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -3.670 -11.963 7.929 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.263 -13.474 8.591 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -4.808 -12.558 5.744 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -3.462 -13.587 6.193 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.038 -15.273 7.104 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -6.394 -14.240 6.695 1.00 0.00 H new ATOM 0 HE ARG A 79 -5.191 -14.494 4.263 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.024 -16.842 6.764 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.268 -18.158 5.612 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -5.506 -16.190 2.787 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.975 -17.791 3.370 1.00 0.00 H new ATOM 1221 N GLU A 80 -8.075 -12.792 8.521 1.00 0.00 N ATOM 1222 CA GLU A 80 -9.125 -13.704 8.959 1.00 0.00 C ATOM 1223 C GLU A 80 -9.802 -14.371 7.764 1.00 0.00 C ATOM 1224 O GLU A 80 -10.716 -13.809 7.162 1.00 0.00 O ATOM 1225 CB GLU A 80 -10.164 -12.956 9.796 1.00 0.00 C ATOM 1226 CG GLU A 80 -11.090 -13.872 10.578 1.00 0.00 C ATOM 1227 CD GLU A 80 -12.062 -13.107 11.457 1.00 0.00 C ATOM 1228 OE1 GLU A 80 -11.710 -12.824 12.621 1.00 0.00 O ATOM 1229 OE2 GLU A 80 -13.173 -12.795 10.981 1.00 0.00 O ATOM 0 H GLU A 80 -8.414 -11.958 8.041 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.665 -14.479 9.572 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.649 -12.294 10.492 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.762 -12.325 9.138 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.650 -14.497 9.882 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.494 -14.541 11.199 1.00 0.00 H new ATOM 1236 N GLY A 81 -9.344 -15.572 7.426 1.00 0.00 N ATOM 1237 CA GLY A 81 -9.914 -16.295 6.305 1.00 0.00 C ATOM 1238 C GLY A 81 -9.415 -15.782 4.970 1.00 0.00 C ATOM 1239 O GLY A 81 -8.372 -15.136 4.879 1.00 0.00 O ATOM 0 H GLY A 81 -8.588 -16.057 7.909 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.671 -17.353 6.398 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.000 -16.214 6.339 1.00 0.00 H new ATOM 1243 N PRO A 82 -10.171 -16.072 3.900 1.00 0.00 N ATOM 1244 CA PRO A 82 -9.817 -15.645 2.542 1.00 0.00 C ATOM 1245 C PRO A 82 -9.956 -14.138 2.354 1.00 0.00 C ATOM 1246 O PRO A 82 -9.748 -13.618 1.259 1.00 0.00 O ATOM 1247 CB PRO A 82 -10.826 -16.389 1.663 1.00 0.00 C ATOM 1248 CG PRO A 82 -11.994 -16.638 2.554 1.00 0.00 C ATOM 1249 CD PRO A 82 -11.428 -16.838 3.933 1.00 0.00 C ATOM 0 HA PRO A 82 -8.777 -15.867 2.302 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -11.110 -15.793 0.795 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -10.409 -17.323 1.286 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.686 -15.796 2.535 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -12.552 -17.517 2.230 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -12.105 -16.467 4.703 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -11.251 -17.892 4.146 1.00 0.00 H new ATOM 1257 N LYS A 83 -10.308 -13.443 3.430 1.00 0.00 N ATOM 1258 CA LYS A 83 -10.473 -11.995 3.385 1.00 0.00 C ATOM 1259 C LYS A 83 -9.604 -11.315 4.437 1.00 0.00 C ATOM 1260 O LYS A 83 -9.159 -11.951 5.394 1.00 0.00 O ATOM 1261 CB LYS A 83 -11.941 -11.620 3.599 1.00 0.00 C ATOM 1262 CG LYS A 83 -12.581 -12.324 4.784 1.00 0.00 C ATOM 1263 CD LYS A 83 -12.330 -11.573 6.081 1.00 0.00 C ATOM 1264 CE LYS A 83 -13.355 -11.940 7.144 1.00 0.00 C ATOM 1265 NZ LYS A 83 -13.339 -13.396 7.451 1.00 0.00 N ATOM 0 H LYS A 83 -10.485 -13.859 4.344 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.157 -11.650 2.401 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.015 -10.542 3.744 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.504 -11.860 2.697 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -13.654 -12.416 4.618 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.183 -13.336 4.865 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.328 -11.800 6.446 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.366 -10.500 5.894 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.153 -11.375 8.054 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.350 -11.652 6.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.385 -13.534 8.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.158 -13.854 7.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.462 -13.819 7.084 1.00 0.00 H new ATOM 1279 N TYR A 84 -9.369 -10.020 4.258 1.00 0.00 N ATOM 1280 CA TYR A 84 -8.552 -9.254 5.193 1.00 0.00 C ATOM 1281 C TYR A 84 -9.420 -8.336 6.048 1.00 0.00 C ATOM 1282 O TYR A 84 -10.418 -7.789 5.577 1.00 0.00 O ATOM 1283 CB TYR A 84 -7.510 -8.430 4.436 1.00 0.00 C ATOM 1284 CG TYR A 84 -6.594 -9.262 3.567 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -6.017 -10.430 4.051 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -6.306 -8.880 2.262 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -5.179 -11.193 3.260 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -5.470 -9.638 1.464 1.00 0.00 C ATOM 1289 CZ TYR A 84 -4.909 -10.793 1.968 1.00 0.00 C ATOM 1290 OH TYR A 84 -4.076 -11.550 1.177 1.00 0.00 O ATOM 0 H TYR A 84 -9.733 -9.478 3.474 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.041 -9.957 5.850 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -8.022 -7.697 3.812 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.908 -7.873 5.154 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -6.227 -10.747 5.062 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.743 -7.976 1.865 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -4.738 -12.098 3.652 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.257 -9.328 0.452 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.991 -11.130 0.296 1.00 0.00 H new ATOM 1300 N VAL A 85 -9.032 -8.171 7.308 1.00 0.00 N ATOM 1301 CA VAL A 85 -9.772 -7.319 8.231 1.00 0.00 C ATOM 1302 C VAL A 85 -8.917 -6.149 8.704 1.00 0.00 C ATOM 1303 O VAL A 85 -7.898 -6.341 9.371 1.00 0.00 O ATOM 1304 CB VAL A 85 -10.261 -8.111 9.458 1.00 0.00 C ATOM 1305 CG1 VAL A 85 -10.889 -7.177 10.481 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -11.246 -9.192 9.035 1.00 0.00 C ATOM 0 H VAL A 85 -8.209 -8.616 7.713 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.636 -6.938 7.686 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.402 -8.595 9.923 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.229 -7.755 11.341 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -10.151 -6.443 10.805 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.738 -6.663 10.031 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.582 -9.742 9.914 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -12.104 -8.731 8.546 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -10.758 -9.878 8.342 1.00 0.00 H new ATOM 1316 N ILE A 86 -9.336 -4.937 8.355 1.00 0.00 N ATOM 1317 CA ILE A 86 -8.608 -3.736 8.745 1.00 0.00 C ATOM 1318 C ILE A 86 -8.703 -3.501 10.249 1.00 0.00 C ATOM 1319 O ILE A 86 -9.795 -3.473 10.816 1.00 0.00 O ATOM 1320 CB ILE A 86 -9.139 -2.492 8.009 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -9.390 -2.815 6.534 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -8.158 -1.337 8.145 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -9.458 -1.588 5.651 1.00 0.00 C ATOM 0 H ILE A 86 -10.176 -4.761 7.803 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.566 -3.895 8.468 1.00 0.00 H new ATOM 0 HB ILE A 86 -10.084 -2.195 8.463 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -8.596 -3.469 6.173 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.325 -3.369 6.445 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.547 -0.465 7.619 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.024 -1.095 9.199 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.198 -1.622 7.714 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.638 -1.891 4.620 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.270 -0.943 5.986 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.515 -1.045 5.710 1.00 0.00 H new ATOM 1335 N ASP A 87 -7.551 -3.330 10.889 1.00 0.00 N ATOM 1336 CA ASP A 87 -7.502 -3.094 12.327 1.00 0.00 C ATOM 1337 C ASP A 87 -7.987 -1.687 12.663 1.00 0.00 C ATOM 1338 O ASP A 87 -7.189 -0.799 12.964 1.00 0.00 O ATOM 1339 CB ASP A 87 -6.080 -3.295 12.851 1.00 0.00 C ATOM 1340 CG ASP A 87 -6.046 -3.562 14.343 1.00 0.00 C ATOM 1341 OD1 ASP A 87 -6.878 -4.359 14.823 1.00 0.00 O ATOM 1342 OD2 ASP A 87 -5.186 -2.973 15.032 1.00 0.00 O ATOM 0 H ASP A 87 -6.638 -3.350 10.434 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.163 -3.813 12.811 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.616 -4.129 12.325 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.485 -2.409 12.630 1.00 0.00 H new ATOM 1347 N VAL A 88 -9.302 -1.490 12.609 1.00 0.00 N ATOM 1348 CA VAL A 88 -9.893 -0.191 12.908 1.00 0.00 C ATOM 1349 C VAL A 88 -11.107 -0.336 13.818 1.00 0.00 C ATOM 1350 O VAL A 88 -11.421 -1.434 14.280 1.00 0.00 O ATOM 1351 CB VAL A 88 -10.315 0.543 11.621 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -9.099 0.858 10.763 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -11.326 -0.286 10.844 1.00 0.00 C ATOM 0 H VAL A 88 -9.977 -2.213 12.361 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.128 0.395 13.418 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.788 1.485 11.898 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -9.417 1.376 9.858 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.413 1.493 11.323 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.595 -0.070 10.492 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.614 0.247 9.938 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -10.881 -1.244 10.576 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -12.209 -0.455 11.461 1.00 0.00 H new ATOM 1363 N GLU A 89 -11.787 0.778 14.071 1.00 0.00 N ATOM 1364 CA GLU A 89 -12.967 0.773 14.927 1.00 0.00 C ATOM 1365 C GLU A 89 -13.847 -0.439 14.635 1.00 0.00 C ATOM 1366 O GLU A 89 -14.113 -1.253 15.518 1.00 0.00 O ATOM 1367 CB GLU A 89 -13.771 2.060 14.731 1.00 0.00 C ATOM 1368 CG GLU A 89 -13.008 3.318 15.109 1.00 0.00 C ATOM 1369 CD GLU A 89 -13.868 4.565 15.041 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -14.528 4.775 14.003 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -13.881 5.331 16.028 1.00 0.00 O ATOM 0 H GLU A 89 -11.541 1.694 13.696 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.633 0.716 15.963 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -14.078 2.131 13.688 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -14.681 2.004 15.328 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.612 3.209 16.119 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -12.153 3.434 14.443 1.00 0.00 H new ATOM 1378 N GLN A 90 -14.296 -0.550 13.389 1.00 0.00 N ATOM 1379 CA GLN A 90 -15.146 -1.661 12.980 1.00 0.00 C ATOM 1380 C GLN A 90 -14.381 -2.635 12.090 1.00 0.00 C ATOM 1381 O GLN A 90 -13.549 -2.242 11.272 1.00 0.00 O ATOM 1382 CB GLN A 90 -16.381 -1.141 12.241 1.00 0.00 C ATOM 1383 CG GLN A 90 -17.415 -0.505 13.157 1.00 0.00 C ATOM 1384 CD GLN A 90 -18.501 0.225 12.393 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -19.476 -0.381 11.946 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -18.340 1.534 12.239 1.00 0.00 N ATOM 0 H GLN A 90 -14.085 0.116 12.646 1.00 0.00 H new ATOM 0 HA GLN A 90 -15.463 -2.191 13.878 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -16.067 -0.409 11.497 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -16.845 -1.966 11.700 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -17.869 -1.278 13.777 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -16.918 0.193 13.830 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -17.517 1.996 12.626 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -19.040 2.078 11.734 1.00 0.00 H new ATOM 1395 N PRO A 91 -14.666 -3.935 12.252 1.00 0.00 N ATOM 1396 CA PRO A 91 -14.015 -4.992 11.473 1.00 0.00 C ATOM 1397 C PRO A 91 -14.443 -4.979 10.009 1.00 0.00 C ATOM 1398 O PRO A 91 -15.404 -5.648 9.627 1.00 0.00 O ATOM 1399 CB PRO A 91 -14.485 -6.278 12.157 1.00 0.00 C ATOM 1400 CG PRO A 91 -15.779 -5.914 12.799 1.00 0.00 C ATOM 1401 CD PRO A 91 -15.647 -4.475 13.209 1.00 0.00 C ATOM 0 HA PRO A 91 -12.931 -4.876 11.453 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -14.614 -7.085 11.436 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -13.760 -6.622 12.895 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -16.610 -6.048 12.106 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -15.979 -6.549 13.662 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -16.600 -3.950 13.146 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -15.299 -4.381 14.238 1.00 0.00 H new ATOM 1409 N PHE A 92 -13.723 -4.217 9.193 1.00 0.00 N ATOM 1410 CA PHE A 92 -14.029 -4.117 7.771 1.00 0.00 C ATOM 1411 C PHE A 92 -13.530 -5.348 7.020 1.00 0.00 C ATOM 1412 O PHE A 92 -12.352 -5.697 7.092 1.00 0.00 O ATOM 1413 CB PHE A 92 -13.399 -2.855 7.179 1.00 0.00 C ATOM 1414 CG PHE A 92 -13.728 -2.644 5.728 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -15.028 -2.377 5.330 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -12.737 -2.714 4.762 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -15.334 -2.182 3.997 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -13.037 -2.520 3.427 1.00 0.00 C ATOM 1419 CZ PHE A 92 -14.337 -2.256 3.043 1.00 0.00 C ATOM 0 H PHE A 92 -12.923 -3.659 9.492 1.00 0.00 H new ATOM 0 HA PHE A 92 -15.112 -4.060 7.661 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -13.735 -1.989 7.749 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -12.316 -2.911 7.293 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -15.812 -2.321 6.071 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -11.719 -2.922 5.056 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -16.351 -1.972 3.701 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -12.255 -2.575 2.684 1.00 0.00 H new ATOM 0 HZ PHE A 92 -14.574 -2.108 2.000 1.00 0.00 H new ATOM 1429 N SER A 93 -14.436 -6.002 6.300 1.00 0.00 N ATOM 1430 CA SER A 93 -14.090 -7.197 5.539 1.00 0.00 C ATOM 1431 C SER A 93 -14.063 -6.900 4.043 1.00 0.00 C ATOM 1432 O SER A 93 -15.001 -6.318 3.498 1.00 0.00 O ATOM 1433 CB SER A 93 -15.088 -8.320 5.829 1.00 0.00 C ATOM 1434 OG SER A 93 -16.396 -7.959 5.416 1.00 0.00 O ATOM 0 H SER A 93 -15.415 -5.725 6.228 1.00 0.00 H new ATOM 0 HA SER A 93 -13.094 -7.517 5.847 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.778 -9.229 5.313 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.089 -8.544 6.896 1.00 0.00 H new ATOM 0 HG SER A 93 -16.342 -7.250 4.741 1.00 0.00 H new ATOM 1440 N CYS A 94 -12.982 -7.304 3.385 1.00 0.00 N ATOM 1441 CA CYS A 94 -12.831 -7.080 1.952 1.00 0.00 C ATOM 1442 C CYS A 94 -12.476 -8.378 1.234 1.00 0.00 C ATOM 1443 O CYS A 94 -12.343 -9.431 1.859 1.00 0.00 O ATOM 1444 CB CYS A 94 -11.754 -6.027 1.690 1.00 0.00 C ATOM 1445 SG CYS A 94 -10.104 -6.501 2.255 1.00 0.00 S ATOM 0 H CYS A 94 -12.197 -7.788 3.821 1.00 0.00 H new ATOM 0 HA CYS A 94 -13.783 -6.719 1.563 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -11.715 -5.822 0.620 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -12.042 -5.098 2.183 1.00 0.00 H new ATOM 0 HG CYS A 94 -9.273 -6.451 1.257 1.00 0.00 H new ATOM 1451 N THR A 95 -12.325 -8.296 -0.085 1.00 0.00 N ATOM 1452 CA THR A 95 -11.988 -9.464 -0.889 1.00 0.00 C ATOM 1453 C THR A 95 -10.488 -9.540 -1.147 1.00 0.00 C ATOM 1454 O THR A 95 -9.898 -10.620 -1.129 1.00 0.00 O ATOM 1455 CB THR A 95 -12.730 -9.449 -2.238 1.00 0.00 C ATOM 1456 OG1 THR A 95 -12.134 -10.394 -3.136 1.00 0.00 O ATOM 1457 CG2 THR A 95 -12.696 -8.061 -2.860 1.00 0.00 C ATOM 0 H THR A 95 -12.431 -7.433 -0.618 1.00 0.00 H new ATOM 0 HA THR A 95 -12.300 -10.340 -0.321 1.00 0.00 H new ATOM 0 HB THR A 95 -13.769 -9.724 -2.058 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.613 -10.379 -3.991 1.00 0.00 H new ATOM 0 HG21 THR A 95 -13.227 -8.076 -3.812 1.00 0.00 H new ATOM 0 HG22 THR A 95 -13.176 -7.349 -2.188 1.00 0.00 H new ATOM 0 HG23 THR A 95 -11.661 -7.762 -3.026 1.00 0.00 H new ATOM 1465 N SER A 96 -9.875 -8.385 -1.388 1.00 0.00 N ATOM 1466 CA SER A 96 -8.441 -8.321 -1.653 1.00 0.00 C ATOM 1467 C SER A 96 -7.828 -7.073 -1.025 1.00 0.00 C ATOM 1468 O SER A 96 -8.515 -6.296 -0.361 1.00 0.00 O ATOM 1469 CB SER A 96 -8.180 -8.328 -3.161 1.00 0.00 C ATOM 1470 OG SER A 96 -8.109 -9.652 -3.660 1.00 0.00 O ATOM 0 H SER A 96 -10.348 -7.481 -1.405 1.00 0.00 H new ATOM 0 HA SER A 96 -7.974 -9.198 -1.206 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.974 -7.785 -3.673 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.248 -7.805 -3.374 1.00 0.00 H new ATOM 0 HG SER A 96 -8.599 -10.254 -3.062 1.00 0.00 H new ATOM 1476 N LEU A 97 -6.531 -6.888 -1.239 1.00 0.00 N ATOM 1477 CA LEU A 97 -5.822 -5.735 -0.696 1.00 0.00 C ATOM 1478 C LEU A 97 -6.212 -4.458 -1.432 1.00 0.00 C ATOM 1479 O LEU A 97 -6.171 -3.366 -0.865 1.00 0.00 O ATOM 1480 CB LEU A 97 -4.310 -5.949 -0.790 1.00 0.00 C ATOM 1481 CG LEU A 97 -3.651 -6.628 0.413 1.00 0.00 C ATOM 1482 CD1 LEU A 97 -2.252 -7.105 0.056 1.00 0.00 C ATOM 1483 CD2 LEU A 97 -3.607 -5.680 1.602 1.00 0.00 C ATOM 0 H LEU A 97 -5.948 -7.522 -1.785 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.104 -5.629 0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.102 -6.547 -1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.835 -4.980 -0.940 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.249 -7.497 0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.799 -7.585 0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.310 -7.819 -0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.643 -6.253 -0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.135 -6.179 2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.032 -4.792 1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.622 -5.388 1.873 1.00 0.00 H new ATOM 1495 N ASP A 98 -6.593 -4.604 -2.696 1.00 0.00 N ATOM 1496 CA ASP A 98 -6.996 -3.462 -3.509 1.00 0.00 C ATOM 1497 C ASP A 98 -8.086 -2.655 -2.811 1.00 0.00 C ATOM 1498 O ASP A 98 -8.002 -1.430 -2.719 1.00 0.00 O ATOM 1499 CB ASP A 98 -7.489 -3.933 -4.878 1.00 0.00 C ATOM 1500 CG ASP A 98 -8.259 -2.856 -5.618 1.00 0.00 C ATOM 1501 OD1 ASP A 98 -9.490 -2.772 -5.430 1.00 0.00 O ATOM 1502 OD2 ASP A 98 -7.629 -2.097 -6.385 1.00 0.00 O ATOM 0 H ASP A 98 -6.631 -5.501 -3.180 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.126 -2.820 -3.646 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.636 -4.245 -5.481 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.126 -4.808 -4.750 1.00 0.00 H new ATOM 1507 N ALA A 99 -9.108 -3.349 -2.322 1.00 0.00 N ATOM 1508 CA ALA A 99 -10.213 -2.697 -1.632 1.00 0.00 C ATOM 1509 C ALA A 99 -9.712 -1.861 -0.459 1.00 0.00 C ATOM 1510 O ALA A 99 -10.040 -0.681 -0.339 1.00 0.00 O ATOM 1511 CB ALA A 99 -11.221 -3.731 -1.154 1.00 0.00 C ATOM 0 H ALA A 99 -9.193 -4.363 -2.391 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.704 -2.027 -2.338 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -12.041 -3.229 -0.640 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.612 -4.281 -2.010 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -10.734 -4.424 -0.469 1.00 0.00 H new ATOM 1517 N VAL A 100 -8.916 -2.481 0.406 1.00 0.00 N ATOM 1518 CA VAL A 100 -8.369 -1.795 1.570 1.00 0.00 C ATOM 1519 C VAL A 100 -7.841 -0.414 1.195 1.00 0.00 C ATOM 1520 O VAL A 100 -8.173 0.583 1.837 1.00 0.00 O ATOM 1521 CB VAL A 100 -7.233 -2.608 2.218 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -6.638 -1.850 3.396 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -7.738 -3.976 2.654 1.00 0.00 C ATOM 0 H VAL A 100 -8.635 -3.458 0.322 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.183 -1.688 2.287 1.00 0.00 H new ATOM 0 HB VAL A 100 -6.447 -2.755 1.477 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.837 -2.440 3.841 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.238 -0.897 3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.413 -1.669 4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -6.922 -4.537 3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.543 -3.853 3.379 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.111 -4.520 1.786 1.00 0.00 H new ATOM 1533 N VAL A 101 -7.018 -0.363 0.153 1.00 0.00 N ATOM 1534 CA VAL A 101 -6.446 0.895 -0.307 1.00 0.00 C ATOM 1535 C VAL A 101 -7.524 1.958 -0.487 1.00 0.00 C ATOM 1536 O VAL A 101 -7.318 3.127 -0.167 1.00 0.00 O ATOM 1537 CB VAL A 101 -5.692 0.714 -1.639 1.00 0.00 C ATOM 1538 CG1 VAL A 101 -5.165 2.051 -2.140 1.00 0.00 C ATOM 1539 CG2 VAL A 101 -4.559 -0.287 -1.479 1.00 0.00 C ATOM 0 H VAL A 101 -6.733 -1.179 -0.388 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.744 1.222 0.460 1.00 0.00 H new ATOM 0 HB VAL A 101 -6.389 0.323 -2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.635 1.904 -3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.999 2.735 -2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.483 2.473 -1.402 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -4.038 -0.402 -2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -3.860 0.072 -0.723 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -4.965 -1.250 -1.169 1.00 0.00 H new ATOM 1549 N ASN A 102 -8.677 1.540 -1.001 1.00 0.00 N ATOM 1550 CA ASN A 102 -9.790 2.456 -1.223 1.00 0.00 C ATOM 1551 C ASN A 102 -10.523 2.748 0.082 1.00 0.00 C ATOM 1552 O ASN A 102 -10.927 3.883 0.339 1.00 0.00 O ATOM 1553 CB ASN A 102 -10.764 1.869 -2.247 1.00 0.00 C ATOM 1554 CG ASN A 102 -10.206 1.898 -3.658 1.00 0.00 C ATOM 1555 OD1 ASN A 102 -10.098 2.959 -4.273 1.00 0.00 O ATOM 1556 ND2 ASN A 102 -9.849 0.729 -4.176 1.00 0.00 N ATOM 0 H ASN A 102 -8.864 0.574 -1.271 1.00 0.00 H new ATOM 0 HA ASN A 102 -9.386 3.392 -1.610 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -10.999 0.840 -1.973 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -11.699 2.428 -2.217 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -9.467 0.685 -5.121 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -9.956 -0.125 -3.629 1.00 0.00 H new ATOM 1563 N TYR A 103 -10.691 1.718 0.903 1.00 0.00 N ATOM 1564 CA TYR A 103 -11.377 1.863 2.182 1.00 0.00 C ATOM 1565 C TYR A 103 -10.858 3.078 2.944 1.00 0.00 C ATOM 1566 O TYR A 103 -11.633 3.930 3.379 1.00 0.00 O ATOM 1567 CB TYR A 103 -11.196 0.600 3.027 1.00 0.00 C ATOM 1568 CG TYR A 103 -11.621 0.772 4.469 1.00 0.00 C ATOM 1569 CD1 TYR A 103 -10.746 1.292 5.414 1.00 0.00 C ATOM 1570 CD2 TYR A 103 -12.897 0.412 4.885 1.00 0.00 C ATOM 1571 CE1 TYR A 103 -11.129 1.450 6.731 1.00 0.00 C ATOM 1572 CE2 TYR A 103 -13.289 0.567 6.201 1.00 0.00 C ATOM 1573 CZ TYR A 103 -12.402 1.086 7.120 1.00 0.00 C ATOM 1574 OH TYR A 103 -12.788 1.242 8.432 1.00 0.00 O ATOM 0 H TYR A 103 -10.362 0.773 0.706 1.00 0.00 H new ATOM 0 HA TYR A 103 -12.438 2.009 1.982 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -11.772 -0.211 2.581 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.148 0.301 2.999 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -9.749 1.578 5.113 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -13.594 0.004 4.168 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -10.436 1.856 7.453 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -14.285 0.283 6.508 1.00 0.00 H new ATOM 0 HH TYR A 103 -13.714 0.939 8.539 1.00 0.00 H new ATOM 1584 N PHE A 104 -9.540 3.150 3.102 1.00 0.00 N ATOM 1585 CA PHE A 104 -8.915 4.260 3.812 1.00 0.00 C ATOM 1586 C PHE A 104 -9.234 5.588 3.133 1.00 0.00 C ATOM 1587 O PHE A 104 -9.595 6.564 3.792 1.00 0.00 O ATOM 1588 CB PHE A 104 -7.399 4.061 3.880 1.00 0.00 C ATOM 1589 CG PHE A 104 -6.970 3.090 4.942 1.00 0.00 C ATOM 1590 CD1 PHE A 104 -7.249 3.336 6.277 1.00 0.00 C ATOM 1591 CD2 PHE A 104 -6.285 1.933 4.607 1.00 0.00 C ATOM 1592 CE1 PHE A 104 -6.855 2.444 7.258 1.00 0.00 C ATOM 1593 CE2 PHE A 104 -5.890 1.038 5.584 1.00 0.00 C ATOM 1594 CZ PHE A 104 -6.173 1.295 6.911 1.00 0.00 C ATOM 0 H PHE A 104 -8.885 2.453 2.748 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.318 4.283 4.825 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.043 3.709 2.912 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.922 5.024 4.065 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.780 4.234 6.555 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.057 1.728 3.571 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.081 2.646 8.295 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.360 0.138 5.309 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.861 0.599 7.676 1.00 0.00 H new ATOM 1604 N VAL A 105 -9.099 5.619 1.811 1.00 0.00 N ATOM 1605 CA VAL A 105 -9.373 6.826 1.042 1.00 0.00 C ATOM 1606 C VAL A 105 -10.734 7.411 1.404 1.00 0.00 C ATOM 1607 O VAL A 105 -10.870 8.620 1.597 1.00 0.00 O ATOM 1608 CB VAL A 105 -9.333 6.548 -0.473 1.00 0.00 C ATOM 1609 CG1 VAL A 105 -9.893 7.731 -1.249 1.00 0.00 C ATOM 1610 CG2 VAL A 105 -7.914 6.231 -0.918 1.00 0.00 C ATOM 0 H VAL A 105 -8.801 4.821 1.250 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.593 7.545 1.293 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.958 5.680 -0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.856 7.516 -2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.926 7.906 -0.949 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.298 8.619 -1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -7.904 6.037 -1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.265 7.078 -0.696 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.554 5.350 -0.387 1.00 0.00 H new ATOM 1620 N SER A 106 -11.739 6.546 1.494 1.00 0.00 N ATOM 1621 CA SER A 106 -13.091 6.978 1.831 1.00 0.00 C ATOM 1622 C SER A 106 -13.195 7.332 3.311 1.00 0.00 C ATOM 1623 O SER A 106 -13.601 8.439 3.670 1.00 0.00 O ATOM 1624 CB SER A 106 -14.100 5.881 1.484 1.00 0.00 C ATOM 1625 OG SER A 106 -15.427 6.312 1.733 1.00 0.00 O ATOM 0 H SER A 106 -11.643 5.543 1.338 1.00 0.00 H new ATOM 0 HA SER A 106 -13.318 7.869 1.246 1.00 0.00 H new ATOM 0 HB2 SER A 106 -13.995 5.604 0.435 1.00 0.00 H new ATOM 0 HB3 SER A 106 -13.888 4.988 2.072 1.00 0.00 H new ATOM 0 HG SER A 106 -16.053 5.594 1.502 1.00 0.00 H new ATOM 1631 N HIS A 107 -12.827 6.385 4.168 1.00 0.00 N ATOM 1632 CA HIS A 107 -12.879 6.596 5.610 1.00 0.00 C ATOM 1633 C HIS A 107 -12.313 7.963 5.979 1.00 0.00 C ATOM 1634 O HIS A 107 -13.022 8.818 6.511 1.00 0.00 O ATOM 1635 CB HIS A 107 -12.102 5.496 6.336 1.00 0.00 C ATOM 1636 CG HIS A 107 -12.425 5.398 7.795 1.00 0.00 C ATOM 1637 ND1 HIS A 107 -13.514 4.705 8.280 1.00 0.00 N ATOM 1638 CD2 HIS A 107 -11.794 5.910 8.878 1.00 0.00 C ATOM 1639 CE1 HIS A 107 -13.539 4.795 9.597 1.00 0.00 C ATOM 1640 NE2 HIS A 107 -12.506 5.522 9.986 1.00 0.00 N ATOM 0 H HIS A 107 -12.489 5.464 3.889 1.00 0.00 H new ATOM 0 HA HIS A 107 -13.923 6.559 5.921 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -12.314 4.538 5.860 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -11.034 5.680 6.220 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -10.897 6.512 8.872 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -14.278 4.350 10.246 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -12.275 5.756 10.952 1.00 0.00 H new ATOM 1649 N THR A 108 -11.029 8.164 5.696 1.00 0.00 N ATOM 1650 CA THR A 108 -10.368 9.427 5.999 1.00 0.00 C ATOM 1651 C THR A 108 -11.160 10.608 5.450 1.00 0.00 C ATOM 1652 O THR A 108 -11.746 10.529 4.371 1.00 0.00 O ATOM 1653 CB THR A 108 -8.941 9.466 5.420 1.00 0.00 C ATOM 1654 OG1 THR A 108 -8.974 9.197 4.014 1.00 0.00 O ATOM 1655 CG2 THR A 108 -8.046 8.451 6.116 1.00 0.00 C ATOM 0 H THR A 108 -10.427 7.468 5.257 1.00 0.00 H new ATOM 0 HA THR A 108 -10.314 9.504 7.085 1.00 0.00 H new ATOM 0 HB THR A 108 -8.532 10.462 5.588 1.00 0.00 H new ATOM 0 HG1 THR A 108 -9.250 10.005 3.533 1.00 0.00 H new ATOM 0 HG21 THR A 108 -7.044 8.497 5.690 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.998 8.678 7.181 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.454 7.450 5.976 1.00 0.00 H new ATOM 1663 N LYS A 109 -11.173 11.705 6.201 1.00 0.00 N ATOM 1664 CA LYS A 109 -11.892 12.905 5.790 1.00 0.00 C ATOM 1665 C LYS A 109 -11.392 13.402 4.436 1.00 0.00 C ATOM 1666 O LYS A 109 -12.103 14.108 3.721 1.00 0.00 O ATOM 1667 CB LYS A 109 -11.729 14.007 6.840 1.00 0.00 C ATOM 1668 CG LYS A 109 -10.283 14.396 7.094 1.00 0.00 C ATOM 1669 CD LYS A 109 -10.185 15.667 7.921 1.00 0.00 C ATOM 1670 CE LYS A 109 -10.387 16.906 7.062 1.00 0.00 C ATOM 1671 NZ LYS A 109 -11.819 17.306 6.992 1.00 0.00 N ATOM 0 H LYS A 109 -10.694 11.787 7.098 1.00 0.00 H new ATOM 0 HA LYS A 109 -12.948 12.652 5.698 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.282 14.889 6.518 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -12.177 13.674 7.776 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -9.772 13.584 7.611 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -9.771 14.540 6.142 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -10.933 15.646 8.713 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -9.210 15.713 8.405 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -9.800 17.729 7.469 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -10.014 16.715 6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -12.165 17.188 6.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -12.378 16.708 7.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -11.915 18.302 7.275 1.00 0.00 H new ATOM 1685 N LYS A 110 -10.166 13.025 4.089 1.00 0.00 N ATOM 1686 CA LYS A 110 -9.572 13.429 2.820 1.00 0.00 C ATOM 1687 C LYS A 110 -9.158 12.211 2.001 1.00 0.00 C ATOM 1688 O LYS A 110 -8.837 11.160 2.554 1.00 0.00 O ATOM 1689 CB LYS A 110 -8.357 14.328 3.065 1.00 0.00 C ATOM 1690 CG LYS A 110 -7.878 15.055 1.821 1.00 0.00 C ATOM 1691 CD LYS A 110 -6.753 16.024 2.140 1.00 0.00 C ATOM 1692 CE LYS A 110 -7.290 17.370 2.599 1.00 0.00 C ATOM 1693 NZ LYS A 110 -6.309 18.467 2.371 1.00 0.00 N ATOM 0 H LYS A 110 -9.564 12.440 4.669 1.00 0.00 H new ATOM 0 HA LYS A 110 -10.322 13.986 2.258 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.607 15.062 3.831 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -7.541 13.722 3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -7.536 14.329 1.083 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -8.710 15.597 1.372 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -6.116 15.601 2.917 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.129 16.162 1.257 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.214 17.593 2.066 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.538 17.319 3.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -6.714 19.368 2.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.436 18.268 2.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -6.091 18.533 1.356 1.00 0.00 H new ATOM 1707 N ALA A 111 -9.170 12.360 0.680 1.00 0.00 N ATOM 1708 CA ALA A 111 -8.793 11.273 -0.215 1.00 0.00 C ATOM 1709 C ALA A 111 -7.277 11.182 -0.360 1.00 0.00 C ATOM 1710 O ALA A 111 -6.672 11.927 -1.134 1.00 0.00 O ATOM 1711 CB ALA A 111 -9.446 11.459 -1.576 1.00 0.00 C ATOM 0 H ALA A 111 -9.437 13.223 0.206 1.00 0.00 H new ATOM 0 HA ALA A 111 -9.147 10.338 0.220 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -9.156 10.640 -2.234 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -10.530 11.466 -1.462 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -9.121 12.405 -2.009 1.00 0.00 H new ATOM 1717 N LEU A 112 -6.670 10.267 0.385 1.00 0.00 N ATOM 1718 CA LEU A 112 -5.224 10.079 0.339 1.00 0.00 C ATOM 1719 C LEU A 112 -4.799 9.447 -0.982 1.00 0.00 C ATOM 1720 O LEU A 112 -5.604 8.820 -1.671 1.00 0.00 O ATOM 1721 CB LEU A 112 -4.766 9.203 1.507 1.00 0.00 C ATOM 1722 CG LEU A 112 -4.477 9.932 2.819 1.00 0.00 C ATOM 1723 CD1 LEU A 112 -5.746 10.563 3.370 1.00 0.00 C ATOM 1724 CD2 LEU A 112 -3.870 8.978 3.837 1.00 0.00 C ATOM 0 H LEU A 112 -7.156 9.643 1.029 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.753 11.058 0.421 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -5.533 8.451 1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -3.864 8.671 1.204 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.757 10.726 2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.521 11.077 4.304 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.140 11.278 2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.488 9.786 3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.671 9.514 4.765 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.566 8.162 4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.937 8.573 3.445 1.00 0.00 H new ATOM 1736 N VAL A 113 -3.527 9.615 -1.331 1.00 0.00 N ATOM 1737 CA VAL A 113 -2.993 9.057 -2.568 1.00 0.00 C ATOM 1738 C VAL A 113 -2.058 7.887 -2.286 1.00 0.00 C ATOM 1739 O VAL A 113 -1.209 7.939 -1.396 1.00 0.00 O ATOM 1740 CB VAL A 113 -2.233 10.123 -3.380 1.00 0.00 C ATOM 1741 CG1 VAL A 113 -1.775 9.551 -4.714 1.00 0.00 C ATOM 1742 CG2 VAL A 113 -3.103 11.354 -3.589 1.00 0.00 C ATOM 0 H VAL A 113 -2.847 10.133 -0.774 1.00 0.00 H new ATOM 0 HA VAL A 113 -3.844 8.704 -3.150 1.00 0.00 H new ATOM 0 HB VAL A 113 -1.349 10.422 -2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.240 10.318 -5.274 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -1.114 8.702 -4.538 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -2.643 9.223 -5.286 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -2.550 12.097 -4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.006 11.074 -4.131 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -3.377 11.775 -2.621 1.00 0.00 H new ATOM 1752 N PRO A 114 -2.215 6.804 -3.062 1.00 0.00 N ATOM 1753 CA PRO A 114 -1.392 5.600 -2.915 1.00 0.00 C ATOM 1754 C PRO A 114 0.051 5.825 -3.353 1.00 0.00 C ATOM 1755 O PRO A 114 0.317 6.603 -4.270 1.00 0.00 O ATOM 1756 CB PRO A 114 -2.079 4.587 -3.835 1.00 0.00 C ATOM 1757 CG PRO A 114 -2.783 5.417 -4.853 1.00 0.00 C ATOM 1758 CD PRO A 114 -3.206 6.673 -4.142 1.00 0.00 C ATOM 0 HA PRO A 114 -1.325 5.277 -1.876 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -1.354 3.920 -4.301 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -2.779 3.961 -3.282 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -2.126 5.646 -5.692 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -3.646 4.889 -5.259 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.191 7.536 -4.808 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -4.220 6.591 -3.749 1.00 0.00 H new ATOM 1766 N PHE A 115 0.979 5.141 -2.694 1.00 0.00 N ATOM 1767 CA PHE A 115 2.395 5.267 -3.016 1.00 0.00 C ATOM 1768 C PHE A 115 2.834 4.171 -3.982 1.00 0.00 C ATOM 1769 O PHE A 115 2.718 2.981 -3.682 1.00 0.00 O ATOM 1770 CB PHE A 115 3.237 5.205 -1.739 1.00 0.00 C ATOM 1771 CG PHE A 115 4.665 5.626 -1.943 1.00 0.00 C ATOM 1772 CD1 PHE A 115 5.515 4.877 -2.741 1.00 0.00 C ATOM 1773 CD2 PHE A 115 5.157 6.770 -1.335 1.00 0.00 C ATOM 1774 CE1 PHE A 115 6.829 5.261 -2.928 1.00 0.00 C ATOM 1775 CE2 PHE A 115 6.470 7.159 -1.520 1.00 0.00 C ATOM 1776 CZ PHE A 115 7.306 6.405 -2.319 1.00 0.00 C ATOM 0 H PHE A 115 0.776 4.493 -1.933 1.00 0.00 H new ATOM 0 HA PHE A 115 2.548 6.233 -3.498 1.00 0.00 H new ATOM 0 HB2 PHE A 115 2.782 5.844 -0.982 1.00 0.00 H new ATOM 0 HB3 PHE A 115 3.218 4.187 -1.350 1.00 0.00 H new ATOM 0 HD1 PHE A 115 5.146 3.983 -3.222 1.00 0.00 H new ATOM 0 HD2 PHE A 115 4.507 7.364 -0.710 1.00 0.00 H new ATOM 0 HE1 PHE A 115 7.482 4.667 -3.550 1.00 0.00 H new ATOM 0 HE2 PHE A 115 6.842 8.052 -1.040 1.00 0.00 H new ATOM 0 HZ PHE A 115 8.332 6.709 -2.468 1.00 0.00 H new ATOM 1786 N LEU A 116 3.337 4.578 -5.141 1.00 0.00 N ATOM 1787 CA LEU A 116 3.793 3.632 -6.153 1.00 0.00 C ATOM 1788 C LEU A 116 5.224 3.939 -6.581 1.00 0.00 C ATOM 1789 O LEU A 116 5.560 5.085 -6.883 1.00 0.00 O ATOM 1790 CB LEU A 116 2.866 3.669 -7.369 1.00 0.00 C ATOM 1791 CG LEU A 116 3.382 2.971 -8.628 1.00 0.00 C ATOM 1792 CD1 LEU A 116 3.712 1.516 -8.334 1.00 0.00 C ATOM 1793 CD2 LEU A 116 2.359 3.071 -9.750 1.00 0.00 C ATOM 0 H LEU A 116 3.440 5.558 -5.404 1.00 0.00 H new ATOM 0 HA LEU A 116 3.770 2.633 -5.717 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.915 3.215 -7.090 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.662 4.711 -7.614 1.00 0.00 H new ATOM 0 HG LEU A 116 4.295 3.472 -8.950 1.00 0.00 H new ATOM 0 HD11 LEU A 116 4.078 1.035 -9.241 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.480 1.466 -7.562 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.815 1.002 -7.987 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.743 2.569 -10.638 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.429 2.596 -9.438 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.171 4.120 -9.979 1.00 0.00 H new ATOM 1805 N LEU A 117 6.063 2.909 -6.606 1.00 0.00 N ATOM 1806 CA LEU A 117 7.458 3.068 -6.999 1.00 0.00 C ATOM 1807 C LEU A 117 7.803 2.149 -8.167 1.00 0.00 C ATOM 1808 O LEU A 117 7.856 0.929 -8.015 1.00 0.00 O ATOM 1809 CB LEU A 117 8.380 2.773 -5.814 1.00 0.00 C ATOM 1810 CG LEU A 117 9.753 3.445 -5.849 1.00 0.00 C ATOM 1811 CD1 LEU A 117 10.529 3.010 -7.083 1.00 0.00 C ATOM 1812 CD2 LEU A 117 9.607 4.959 -5.813 1.00 0.00 C ATOM 0 H LEU A 117 5.801 1.955 -6.359 1.00 0.00 H new ATOM 0 HA LEU A 117 7.604 4.100 -7.317 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.872 3.078 -4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 117 8.527 1.695 -5.753 1.00 0.00 H new ATOM 0 HG LEU A 117 10.312 3.134 -4.966 1.00 0.00 H new ATOM 0 HD11 LEU A 117 11.503 3.498 -7.091 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.665 1.929 -7.065 1.00 0.00 H new ATOM 0 HD13 LEU A 117 9.975 3.291 -7.979 1.00 0.00 H new ATOM 0 HD21 LEU A 117 10.594 5.420 -5.839 1.00 0.00 H new ATOM 0 HD22 LEU A 117 9.029 5.289 -6.676 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.093 5.253 -4.898 1.00 0.00 H new ATOM 1824 N ASP A 118 8.038 2.743 -9.331 1.00 0.00 N ATOM 1825 CA ASP A 118 8.382 1.978 -10.524 1.00 0.00 C ATOM 1826 C ASP A 118 9.636 1.143 -10.292 1.00 0.00 C ATOM 1827 O ASP A 118 10.647 1.646 -9.799 1.00 0.00 O ATOM 1828 CB ASP A 118 8.591 2.917 -11.714 1.00 0.00 C ATOM 1829 CG ASP A 118 8.980 2.172 -12.977 1.00 0.00 C ATOM 1830 OD1 ASP A 118 8.338 1.144 -13.281 1.00 0.00 O ATOM 1831 OD2 ASP A 118 9.925 2.617 -13.661 1.00 0.00 O ATOM 0 H ASP A 118 7.997 3.752 -9.474 1.00 0.00 H new ATOM 0 HA ASP A 118 7.555 1.303 -10.744 1.00 0.00 H new ATOM 0 HB2 ASP A 118 7.675 3.480 -11.895 1.00 0.00 H new ATOM 0 HB3 ASP A 118 9.367 3.642 -11.469 1.00 0.00 H new