USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 717 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 90 MET CE :methyl 151:sc=-0.00855 (180deg=-0.715) USER MOD Set 2.1: A 32 THR OG1 : rot -98:sc= 0.468 USER MOD Set 2.2: A 34 HIS : no HE2:sc= -0.449 K(o=0.019,f=-1.4) USER MOD Set 3.1: A 22 LYS NZ :NH3+ -115:sc= -0.101 (180deg=-0.234) USER MOD Set 3.2: A 103 GLN : amide:sc= -0.473 K(o=-0.57,f=0.018) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 170:sc= -0.941 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.0114 X(o=-0.011,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 57 THR OG1 : rot 27:sc= 1.2 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.48 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 145:sc= -6.55! (180deg=-10.6!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -114:sc= -2.01! (180deg=-5.77!) USER MOD Single : A 83 SER OG : rot 77:sc= 0.236 USER MOD Single : A 84 TYR OH : rot 144:sc= 0.365 USER MOD Single : A 85 TYR OH : rot -64:sc= 0.836 USER MOD Single : A 86 TYR OH : rot 15:sc= -4.2! USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.0038) USER MOD Single : A 93 GLN : amide:sc= -0.241 K(o=-0.24,f=-1.5!) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= -0.0872 X(o=-0.087,f=0) USER MOD ----------------------------------------------------------------- ATOM 200 N LEU A 17 0.793 7.833 -3.471 1.00 0.00 N ATOM 201 CA LEU A 17 1.039 6.401 -3.449 1.00 0.00 C ATOM 202 C LEU A 17 -0.084 5.683 -4.199 1.00 0.00 C ATOM 203 O LEU A 17 -1.230 6.130 -4.184 1.00 0.00 O ATOM 204 CB LEU A 17 1.229 5.912 -2.011 1.00 0.00 C ATOM 205 CG LEU A 17 1.068 4.407 -1.787 1.00 0.00 C ATOM 206 CD1 LEU A 17 2.406 3.683 -1.948 1.00 0.00 C ATOM 207 CD2 LEU A 17 0.421 4.121 -0.431 1.00 0.00 C ATOM 0 HA LEU A 17 1.969 6.166 -3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.225 6.204 -1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.514 6.433 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 17 0.397 4.017 -2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.264 2.615 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.790 3.847 -2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.119 4.070 -1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.318 3.044 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.047 4.527 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.563 4.587 -0.392 1.00 0.00 H new ATOM 219 N VAL A 18 0.283 4.581 -4.837 1.00 0.00 N ATOM 220 CA VAL A 18 -0.679 3.797 -5.592 1.00 0.00 C ATOM 221 C VAL A 18 -0.528 2.320 -5.224 1.00 0.00 C ATOM 222 O VAL A 18 0.497 1.705 -5.517 1.00 0.00 O ATOM 223 CB VAL A 18 -0.509 4.060 -7.089 1.00 0.00 C ATOM 224 CG1 VAL A 18 -1.436 3.163 -7.912 1.00 0.00 C ATOM 225 CG2 VAL A 18 -0.743 5.537 -7.417 1.00 0.00 C ATOM 0 H VAL A 18 1.234 4.213 -4.846 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.697 4.093 -5.337 1.00 0.00 H new ATOM 0 HB VAL A 18 0.519 3.816 -7.357 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.295 3.370 -8.973 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.202 2.117 -7.712 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.472 3.362 -7.638 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.616 5.696 -8.488 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.755 5.818 -7.126 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.025 6.149 -6.871 1.00 0.00 H new ATOM 235 N ILE A 19 -1.563 1.793 -4.586 1.00 0.00 N ATOM 236 CA ILE A 19 -1.557 0.399 -4.175 1.00 0.00 C ATOM 237 C ILE A 19 -2.288 -0.441 -5.225 1.00 0.00 C ATOM 238 O ILE A 19 -3.485 -0.263 -5.444 1.00 0.00 O ATOM 239 CB ILE A 19 -2.131 0.255 -2.764 1.00 0.00 C ATOM 240 CG1 ILE A 19 -1.288 1.028 -1.748 1.00 0.00 C ATOM 241 CG2 ILE A 19 -2.281 -1.219 -2.381 1.00 0.00 C ATOM 242 CD1 ILE A 19 -2.057 1.235 -0.441 1.00 0.00 C ATOM 0 H ILE A 19 -2.411 2.306 -4.344 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.536 0.022 -4.119 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.129 0.693 -2.755 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.364 0.485 -1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.006 1.995 -2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.691 -1.293 -1.374 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.954 -1.711 -3.084 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.305 -1.704 -2.412 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.435 1.787 0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.968 1.799 -0.640 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.317 0.266 -0.014 1.00 0.00 H new ATOM 254 N ARG A 20 -1.537 -1.338 -5.846 1.00 0.00 N ATOM 255 CA ARG A 20 -2.098 -2.206 -6.867 1.00 0.00 C ATOM 256 C ARG A 20 -2.555 -3.529 -6.248 1.00 0.00 C ATOM 257 O ARG A 20 -1.730 -4.334 -5.817 1.00 0.00 O ATOM 258 CB ARG A 20 -1.076 -2.493 -7.969 1.00 0.00 C ATOM 259 CG ARG A 20 -1.505 -3.692 -8.816 1.00 0.00 C ATOM 260 CD ARG A 20 -0.579 -3.872 -10.021 1.00 0.00 C ATOM 261 NE ARG A 20 -1.020 -5.030 -10.830 1.00 0.00 N ATOM 262 CZ ARG A 20 -0.504 -5.353 -12.023 1.00 0.00 C ATOM 263 NH1 ARG A 20 0.476 -4.608 -12.553 1.00 0.00 N ATOM 264 NH2 ARG A 20 -0.966 -6.422 -12.687 1.00 0.00 N ATOM 0 H ARG A 20 -0.544 -1.483 -5.662 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.953 -1.691 -7.305 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.966 -1.615 -8.605 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.101 -2.688 -7.523 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.494 -4.595 -8.206 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.530 -3.552 -9.159 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.583 -2.969 -10.631 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.446 -4.023 -9.683 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.764 -5.619 -10.456 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.829 -3.795 -12.048 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.869 -4.854 -13.462 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.711 -6.990 -12.284 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.573 -6.667 -13.596 1.00 0.00 H new ATOM 278 N ILE A 21 -3.867 -3.712 -6.222 1.00 0.00 N ATOM 279 CA ILE A 21 -4.442 -4.923 -5.663 1.00 0.00 C ATOM 280 C ILE A 21 -4.619 -5.959 -6.774 1.00 0.00 C ATOM 281 O ILE A 21 -5.426 -5.769 -7.683 1.00 0.00 O ATOM 282 CB ILE A 21 -5.735 -4.603 -4.909 1.00 0.00 C ATOM 283 CG1 ILE A 21 -5.449 -4.286 -3.440 1.00 0.00 C ATOM 284 CG2 ILE A 21 -6.754 -5.734 -5.064 1.00 0.00 C ATOM 285 CD1 ILE A 21 -5.687 -2.805 -3.142 1.00 0.00 C ATOM 0 H ILE A 21 -4.548 -3.042 -6.579 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.769 -5.359 -4.925 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.176 -3.709 -5.351 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.088 -4.896 -2.802 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.418 -4.547 -3.202 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.663 -5.482 -4.519 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.989 -5.869 -6.120 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.336 -6.658 -4.664 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.476 -2.607 -2.091 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.029 -2.198 -3.764 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.725 -2.553 -3.358 1.00 0.00 H new ATOM 297 N LYS A 22 -3.851 -7.034 -6.665 1.00 0.00 N ATOM 298 CA LYS A 22 -3.912 -8.100 -7.650 1.00 0.00 C ATOM 299 C LYS A 22 -5.249 -8.833 -7.519 1.00 0.00 C ATOM 300 O LYS A 22 -5.434 -9.636 -6.606 1.00 0.00 O ATOM 301 CB LYS A 22 -2.694 -9.017 -7.524 1.00 0.00 C ATOM 302 CG LYS A 22 -1.938 -9.111 -8.851 1.00 0.00 C ATOM 303 CD LYS A 22 -1.523 -7.723 -9.344 1.00 0.00 C ATOM 304 CE LYS A 22 -0.001 -7.615 -9.460 1.00 0.00 C ATOM 305 NZ LYS A 22 0.508 -8.552 -10.487 1.00 0.00 N ATOM 0 H LYS A 22 -3.184 -7.189 -5.909 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.870 -7.689 -8.659 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.028 -8.639 -6.748 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.014 -10.011 -7.212 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.054 -9.736 -8.727 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.567 -9.594 -9.599 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.980 -7.526 -10.314 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.894 -6.963 -8.656 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.278 -6.594 -9.720 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.460 -7.836 -8.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.106 -9.272 -10.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.293 -9.015 -10.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.069 -8.027 -11.188 1.00 0.00 H new ATOM 319 N ILE A 23 -6.146 -8.530 -8.446 1.00 0.00 N ATOM 320 CA ILE A 23 -7.461 -9.150 -8.446 1.00 0.00 C ATOM 321 C ILE A 23 -7.329 -10.614 -8.869 1.00 0.00 C ATOM 322 O ILE A 23 -6.529 -10.942 -9.743 1.00 0.00 O ATOM 323 CB ILE A 23 -8.433 -8.345 -9.311 1.00 0.00 C ATOM 324 CG1 ILE A 23 -8.486 -6.883 -8.861 1.00 0.00 C ATOM 325 CG2 ILE A 23 -9.819 -8.991 -9.324 1.00 0.00 C ATOM 326 CD1 ILE A 23 -9.156 -6.755 -7.491 1.00 0.00 C ATOM 0 H ILE A 23 -5.988 -7.864 -9.202 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.885 -9.145 -7.442 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.064 -8.353 -10.337 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.476 -6.476 -8.815 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.035 -6.293 -9.595 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.491 -8.399 -9.946 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.746 -10.001 -9.728 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.210 -9.034 -8.307 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.181 -5.706 -7.195 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.174 -7.141 -7.546 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.591 -7.327 -6.755 1.00 0.00 H new ATOM 338 N PRO A 24 -8.149 -11.478 -8.212 1.00 0.00 N ATOM 339 CA PRO A 24 -8.132 -12.900 -8.511 1.00 0.00 C ATOM 340 C PRO A 24 -8.835 -13.189 -9.839 1.00 0.00 C ATOM 341 O PRO A 24 -10.048 -13.024 -9.952 1.00 0.00 O ATOM 342 CB PRO A 24 -8.813 -13.560 -7.322 1.00 0.00 C ATOM 343 CG PRO A 24 -9.596 -12.459 -6.626 1.00 0.00 C ATOM 344 CD PRO A 24 -9.110 -11.125 -7.171 1.00 0.00 C ATOM 0 HA PRO A 24 -7.123 -13.291 -8.642 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.474 -14.364 -7.647 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.080 -14.003 -6.648 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.664 -12.578 -6.806 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.447 -12.508 -5.547 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.935 -10.538 -7.576 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.645 -10.524 -6.390 1.00 0.00 H new ATOM 352 N ASN A 25 -8.041 -13.617 -10.810 1.00 0.00 N ATOM 353 CA ASN A 25 -8.572 -13.931 -12.126 1.00 0.00 C ATOM 354 C ASN A 25 -9.455 -12.776 -12.604 1.00 0.00 C ATOM 355 O ASN A 25 -10.674 -12.917 -12.689 1.00 0.00 O ATOM 356 CB ASN A 25 -9.430 -15.197 -12.086 1.00 0.00 C ATOM 357 CG ASN A 25 -8.589 -16.439 -12.392 1.00 0.00 C ATOM 358 OD1 ASN A 25 -7.851 -16.941 -11.560 1.00 0.00 O ATOM 359 ND2 ASN A 25 -8.742 -16.904 -13.628 1.00 0.00 N ATOM 0 H ASN A 25 -7.035 -13.754 -10.712 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.730 -14.087 -12.801 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.890 -15.298 -11.103 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.240 -15.115 -12.810 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.225 -17.730 -13.930 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.377 -16.435 -14.274 1.00 0.00 H new ATOM 366 N SER A 26 -8.805 -11.661 -12.903 1.00 0.00 N ATOM 367 CA SER A 26 -9.516 -10.483 -13.370 1.00 0.00 C ATOM 368 C SER A 26 -8.520 -9.434 -13.867 1.00 0.00 C ATOM 369 O SER A 26 -8.523 -9.080 -15.045 1.00 0.00 O ATOM 370 CB SER A 26 -10.397 -9.897 -12.265 1.00 0.00 C ATOM 371 OG SER A 26 -11.778 -9.917 -12.616 1.00 0.00 O ATOM 0 H SER A 26 -7.794 -11.548 -12.831 1.00 0.00 H new ATOM 0 HA SER A 26 -10.164 -10.779 -14.195 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.249 -10.462 -11.345 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.089 -8.871 -12.062 1.00 0.00 H new ATOM 0 HG SER A 26 -12.307 -9.536 -11.884 1.00 0.00 H new ATOM 377 N GLY A 27 -7.693 -8.966 -12.945 1.00 0.00 N ATOM 378 CA GLY A 27 -6.693 -7.964 -13.274 1.00 0.00 C ATOM 379 C GLY A 27 -6.043 -7.401 -12.009 1.00 0.00 C ATOM 380 O GLY A 27 -5.462 -8.146 -11.221 1.00 0.00 O ATOM 0 H GLY A 27 -7.694 -9.262 -11.969 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.929 -8.405 -13.914 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.156 -7.155 -13.840 1.00 0.00 H new ATOM 384 N ALA A 28 -6.162 -6.090 -11.854 1.00 0.00 N ATOM 385 CA ALA A 28 -5.592 -5.419 -10.698 1.00 0.00 C ATOM 386 C ALA A 28 -6.108 -3.979 -10.645 1.00 0.00 C ATOM 387 O ALA A 28 -6.189 -3.307 -11.671 1.00 0.00 O ATOM 388 CB ALA A 28 -4.065 -5.489 -10.768 1.00 0.00 C ATOM 0 H ALA A 28 -6.644 -5.475 -12.509 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.899 -5.914 -9.777 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.638 -4.986 -9.901 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.749 -6.532 -10.775 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.720 -4.999 -11.679 1.00 0.00 H new ATOM 394 N VAL A 29 -6.443 -3.549 -9.437 1.00 0.00 N ATOM 395 CA VAL A 29 -6.949 -2.202 -9.236 1.00 0.00 C ATOM 396 C VAL A 29 -5.881 -1.361 -8.533 1.00 0.00 C ATOM 397 O VAL A 29 -5.049 -1.893 -7.801 1.00 0.00 O ATOM 398 CB VAL A 29 -8.273 -2.248 -8.471 1.00 0.00 C ATOM 399 CG1 VAL A 29 -8.032 -2.304 -6.961 1.00 0.00 C ATOM 400 CG2 VAL A 29 -9.162 -1.060 -8.842 1.00 0.00 C ATOM 0 H VAL A 29 -6.374 -4.110 -8.588 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.160 -1.726 -10.194 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.796 -3.160 -8.760 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.989 -2.336 -6.441 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.457 -3.197 -6.717 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.478 -1.419 -6.648 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.097 -1.117 -8.284 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.649 -0.131 -8.596 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.375 -1.085 -9.911 1.00 0.00 H new ATOM 410 N ASP A 30 -5.940 -0.061 -8.781 1.00 0.00 N ATOM 411 CA ASP A 30 -4.989 0.859 -8.181 1.00 0.00 C ATOM 412 C ASP A 30 -5.723 1.778 -7.201 1.00 0.00 C ATOM 413 O ASP A 30 -6.582 2.561 -7.604 1.00 0.00 O ATOM 414 CB ASP A 30 -4.325 1.736 -9.244 1.00 0.00 C ATOM 415 CG ASP A 30 -5.173 2.911 -9.735 1.00 0.00 C ATOM 416 OD1 ASP A 30 -6.368 2.671 -10.014 1.00 0.00 O ATOM 417 OD2 ASP A 30 -4.608 4.023 -9.821 1.00 0.00 O ATOM 0 H ASP A 30 -6.632 0.377 -9.389 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.226 0.270 -7.671 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.391 2.126 -8.840 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.067 1.111 -10.099 1.00 0.00 H new ATOM 422 N TRP A 31 -5.357 1.651 -5.934 1.00 0.00 N ATOM 423 CA TRP A 31 -5.970 2.460 -4.894 1.00 0.00 C ATOM 424 C TRP A 31 -5.165 3.754 -4.766 1.00 0.00 C ATOM 425 O TRP A 31 -4.074 3.757 -4.197 1.00 0.00 O ATOM 426 CB TRP A 31 -6.066 1.682 -3.580 1.00 0.00 C ATOM 427 CG TRP A 31 -6.421 2.548 -2.369 1.00 0.00 C ATOM 428 CD1 TRP A 31 -7.092 3.708 -2.353 1.00 0.00 C ATOM 429 CD2 TRP A 31 -6.095 2.273 -0.990 1.00 0.00 C ATOM 430 NE1 TRP A 31 -7.221 4.199 -1.069 1.00 0.00 N ATOM 431 CE2 TRP A 31 -6.596 3.299 -0.215 1.00 0.00 C ATOM 432 CE3 TRP A 31 -5.400 1.193 -0.418 1.00 0.00 C ATOM 433 CZ2 TRP A 31 -6.455 3.346 1.177 1.00 0.00 C ATOM 434 CZ3 TRP A 31 -5.268 1.256 0.975 1.00 0.00 C ATOM 435 CH2 TRP A 31 -5.766 2.281 1.770 1.00 0.00 C ATOM 0 H TRP A 31 -4.644 1.000 -5.604 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.997 2.714 -5.157 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.817 0.899 -3.687 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.114 1.186 -3.393 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -7.482 4.197 -3.233 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -7.689 5.064 -0.797 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.000 0.380 -1.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.856 4.160 1.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -4.742 0.451 1.466 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -5.622 2.256 2.840 1.00 0.00 H new ATOM 446 N THR A 32 -5.733 4.823 -5.303 1.00 0.00 N ATOM 447 CA THR A 32 -5.082 6.121 -5.256 1.00 0.00 C ATOM 448 C THR A 32 -4.948 6.598 -3.808 1.00 0.00 C ATOM 449 O THR A 32 -5.905 7.111 -3.229 1.00 0.00 O ATOM 450 CB THR A 32 -5.877 7.082 -6.141 1.00 0.00 C ATOM 451 OG1 THR A 32 -5.359 8.368 -5.811 1.00 0.00 O ATOM 452 CG2 THR A 32 -7.352 7.161 -5.743 1.00 0.00 C ATOM 0 H THR A 32 -6.638 4.817 -5.774 1.00 0.00 H new ATOM 0 HA THR A 32 -4.065 6.067 -5.643 1.00 0.00 H new ATOM 0 HB THR A 32 -5.798 6.766 -7.181 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.949 8.801 -5.159 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.870 7.857 -6.403 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.805 6.173 -5.829 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.433 7.509 -4.713 1.00 0.00 H new ATOM 460 N VAL A 33 -3.754 6.413 -3.265 1.00 0.00 N ATOM 461 CA VAL A 33 -3.483 6.818 -1.896 1.00 0.00 C ATOM 462 C VAL A 33 -2.707 8.137 -1.903 1.00 0.00 C ATOM 463 O VAL A 33 -1.642 8.231 -2.512 1.00 0.00 O ATOM 464 CB VAL A 33 -2.752 5.698 -1.154 1.00 0.00 C ATOM 465 CG1 VAL A 33 -2.402 6.123 0.274 1.00 0.00 C ATOM 466 CG2 VAL A 33 -3.577 4.410 -1.156 1.00 0.00 C ATOM 0 H VAL A 33 -2.963 5.988 -3.748 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.415 6.992 -1.358 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.819 5.499 -1.682 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.883 5.308 0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.757 7.001 0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.316 6.363 0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.035 3.630 -0.622 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.533 4.589 -0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.752 4.092 -2.184 1.00 0.00 H new ATOM 476 N HIS A 34 -3.270 9.122 -1.220 1.00 0.00 N ATOM 477 CA HIS A 34 -2.644 10.431 -1.140 1.00 0.00 C ATOM 478 C HIS A 34 -1.859 10.545 0.169 1.00 0.00 C ATOM 479 O HIS A 34 -0.872 11.274 0.243 1.00 0.00 O ATOM 480 CB HIS A 34 -3.683 11.541 -1.306 1.00 0.00 C ATOM 481 CG HIS A 34 -4.504 11.429 -2.569 1.00 0.00 C ATOM 482 ND1 HIS A 34 -4.704 12.494 -3.430 1.00 0.00 N ATOM 483 CD2 HIS A 34 -5.172 10.369 -3.107 1.00 0.00 C ATOM 484 CE1 HIS A 34 -5.461 12.082 -4.436 1.00 0.00 C ATOM 485 NE2 HIS A 34 -5.750 10.764 -4.234 1.00 0.00 N ATOM 0 H HIS A 34 -4.153 9.040 -0.717 1.00 0.00 H new ATOM 0 HA HIS A 34 -1.936 10.550 -1.960 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.353 11.529 -0.447 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.174 12.505 -1.300 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -4.332 13.436 -3.310 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.222 9.375 -2.687 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.791 12.684 -5.270 1.00 0.00 H new ATOM 493 N SER A 35 -2.328 9.813 1.169 1.00 0.00 N ATOM 494 CA SER A 35 -1.683 9.823 2.470 1.00 0.00 C ATOM 495 C SER A 35 -0.772 8.602 2.612 1.00 0.00 C ATOM 496 O SER A 35 -0.880 7.851 3.580 1.00 0.00 O ATOM 497 CB SER A 35 -2.717 9.847 3.598 1.00 0.00 C ATOM 498 OG SER A 35 -2.868 11.150 4.156 1.00 0.00 O ATOM 0 H SER A 35 -3.147 9.209 1.104 1.00 0.00 H new ATOM 0 HA SER A 35 -1.081 10.729 2.546 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.678 9.502 3.216 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.416 9.150 4.380 1.00 0.00 H new ATOM 0 HG SER A 35 -3.643 11.161 4.756 1.00 0.00 H new ATOM 504 N GLY A 36 0.106 8.442 1.632 1.00 0.00 N ATOM 505 CA GLY A 36 1.035 7.325 1.636 1.00 0.00 C ATOM 506 C GLY A 36 1.556 7.050 3.048 1.00 0.00 C ATOM 507 O GLY A 36 1.494 5.918 3.526 1.00 0.00 O ATOM 0 H GLY A 36 0.193 9.067 0.831 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.541 6.435 1.247 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.872 7.541 0.971 1.00 0.00 H new ATOM 511 N PRO A 37 2.071 8.131 3.692 1.00 0.00 N ATOM 512 CA PRO A 37 2.602 8.017 5.039 1.00 0.00 C ATOM 513 C PRO A 37 1.474 7.900 6.066 1.00 0.00 C ATOM 514 O PRO A 37 1.523 7.050 6.954 1.00 0.00 O ATOM 515 CB PRO A 37 3.455 9.260 5.233 1.00 0.00 C ATOM 516 CG PRO A 37 3.000 10.247 4.170 1.00 0.00 C ATOM 517 CD PRO A 37 2.161 9.486 3.156 1.00 0.00 C ATOM 0 HA PRO A 37 3.198 7.115 5.180 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.321 9.673 6.233 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.514 9.028 5.123 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.418 11.051 4.620 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.860 10.709 3.685 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.174 9.934 3.043 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.628 9.492 2.171 1.00 0.00 H new ATOM 525 N GLN A 38 0.483 8.765 5.909 1.00 0.00 N ATOM 526 CA GLN A 38 -0.656 8.770 6.811 1.00 0.00 C ATOM 527 C GLN A 38 -1.653 7.679 6.413 1.00 0.00 C ATOM 528 O GLN A 38 -2.833 7.958 6.204 1.00 0.00 O ATOM 529 CB GLN A 38 -1.329 10.144 6.838 1.00 0.00 C ATOM 530 CG GLN A 38 -2.165 10.320 8.107 1.00 0.00 C ATOM 531 CD GLN A 38 -2.895 11.665 8.101 1.00 0.00 C ATOM 532 OE1 GLN A 38 -2.344 12.700 8.436 1.00 0.00 O ATOM 533 NE2 GLN A 38 -4.161 11.591 7.702 1.00 0.00 N ATOM 0 H GLN A 38 0.445 9.467 5.170 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.297 8.558 7.818 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.571 10.925 6.786 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.965 10.259 5.960 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.890 9.509 8.185 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.520 10.256 8.983 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.560 10.691 7.435 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.733 12.434 7.663 1.00 0.00 H new ATOM 542 N LEU A 39 -1.142 6.460 6.320 1.00 0.00 N ATOM 543 CA LEU A 39 -1.972 5.327 5.950 1.00 0.00 C ATOM 544 C LEU A 39 -1.881 4.257 7.040 1.00 0.00 C ATOM 545 O LEU A 39 -0.796 3.967 7.541 1.00 0.00 O ATOM 546 CB LEU A 39 -1.597 4.819 4.557 1.00 0.00 C ATOM 547 CG LEU A 39 -2.436 3.659 4.017 1.00 0.00 C ATOM 548 CD1 LEU A 39 -3.913 4.046 3.928 1.00 0.00 C ATOM 549 CD2 LEU A 39 -1.891 3.167 2.674 1.00 0.00 C ATOM 0 H LEU A 39 -0.163 6.233 6.495 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.018 5.627 5.883 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.670 5.651 3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.552 4.508 4.574 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.362 2.828 4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.487 3.204 3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.280 4.311 4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.026 4.900 3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.505 2.342 2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.915 3.982 1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.864 2.826 2.801 1.00 0.00 H new ATOM 561 N LEU A 40 -3.035 3.699 7.375 1.00 0.00 N ATOM 562 CA LEU A 40 -3.099 2.667 8.396 1.00 0.00 C ATOM 563 C LEU A 40 -3.493 1.338 7.748 1.00 0.00 C ATOM 564 O LEU A 40 -4.068 1.320 6.661 1.00 0.00 O ATOM 565 CB LEU A 40 -4.028 3.096 9.533 1.00 0.00 C ATOM 566 CG LEU A 40 -3.509 4.216 10.437 1.00 0.00 C ATOM 567 CD1 LEU A 40 -4.610 4.718 11.374 1.00 0.00 C ATOM 568 CD2 LEU A 40 -2.263 3.769 11.204 1.00 0.00 C ATOM 0 H LEU A 40 -3.933 3.942 6.957 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.120 2.521 8.853 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.976 3.415 9.100 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.238 2.224 10.152 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.215 5.055 9.807 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.215 5.514 12.006 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.442 5.102 10.784 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.958 3.896 12.000 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.915 4.584 11.839 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.507 2.906 11.823 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.478 3.499 10.497 1.00 0.00 H new ATOM 580 N PHE A 41 -3.167 0.258 8.443 1.00 0.00 N ATOM 581 CA PHE A 41 -3.480 -1.072 7.949 1.00 0.00 C ATOM 582 C PHE A 41 -4.977 -1.214 7.667 1.00 0.00 C ATOM 583 O PHE A 41 -5.373 -1.549 6.551 1.00 0.00 O ATOM 584 CB PHE A 41 -3.083 -2.061 9.047 1.00 0.00 C ATOM 585 CG PHE A 41 -3.291 -3.529 8.666 1.00 0.00 C ATOM 586 CD1 PHE A 41 -2.647 -4.049 7.587 1.00 0.00 C ATOM 587 CD2 PHE A 41 -4.119 -4.313 9.407 1.00 0.00 C ATOM 588 CE1 PHE A 41 -2.840 -5.411 7.234 1.00 0.00 C ATOM 589 CE2 PHE A 41 -4.311 -5.675 9.054 1.00 0.00 C ATOM 590 CZ PHE A 41 -3.668 -6.195 7.975 1.00 0.00 C ATOM 0 H PHE A 41 -2.689 0.277 9.344 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.944 -1.260 7.019 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.034 -1.907 9.299 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.662 -1.843 9.945 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.989 -3.426 6.999 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.630 -3.900 10.264 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.329 -5.824 6.377 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.968 -6.298 9.643 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.815 -7.231 7.706 1.00 0.00 H new ATOM 600 N ARG A 42 -5.768 -0.953 8.697 1.00 0.00 N ATOM 601 CA ARG A 42 -7.213 -1.048 8.573 1.00 0.00 C ATOM 602 C ARG A 42 -7.682 -0.365 7.287 1.00 0.00 C ATOM 603 O ARG A 42 -8.316 -0.994 6.442 1.00 0.00 O ATOM 604 CB ARG A 42 -7.911 -0.401 9.771 1.00 0.00 C ATOM 605 CG ARG A 42 -8.608 -1.454 10.635 1.00 0.00 C ATOM 606 CD ARG A 42 -7.607 -2.490 11.149 1.00 0.00 C ATOM 607 NE ARG A 42 -6.517 -1.817 11.890 1.00 0.00 N ATOM 608 CZ ARG A 42 -6.589 -1.471 13.182 1.00 0.00 C ATOM 609 NH1 ARG A 42 -7.699 -1.733 13.885 1.00 0.00 N ATOM 610 NH2 ARG A 42 -5.550 -0.863 13.772 1.00 0.00 N ATOM 0 H ARG A 42 -5.436 -0.676 9.621 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.475 -2.106 8.542 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.181 0.142 10.372 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.641 0.328 9.420 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.101 -0.970 11.478 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.385 -1.951 10.054 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.112 -3.205 11.799 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.195 -3.055 10.313 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.657 -1.603 11.385 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.489 -2.196 13.436 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.754 -1.469 14.869 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.705 -0.664 13.237 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.605 -0.599 14.756 1.00 0.00 H new ATOM 624 N ASP A 43 -7.352 0.914 7.180 1.00 0.00 N ATOM 625 CA ASP A 43 -7.731 1.689 6.011 1.00 0.00 C ATOM 626 C ASP A 43 -7.639 0.805 4.766 1.00 0.00 C ATOM 627 O ASP A 43 -8.580 0.739 3.976 1.00 0.00 O ATOM 628 CB ASP A 43 -6.794 2.883 5.814 1.00 0.00 C ATOM 629 CG ASP A 43 -7.225 4.168 6.524 1.00 0.00 C ATOM 630 OD1 ASP A 43 -8.375 4.593 6.280 1.00 0.00 O ATOM 631 OD2 ASP A 43 -6.395 4.696 7.296 1.00 0.00 O ATOM 0 H ASP A 43 -6.826 1.433 7.884 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.748 2.050 6.161 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.800 2.607 6.166 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.709 3.087 4.747 1.00 0.00 H new ATOM 636 N VAL A 44 -6.497 0.148 4.630 1.00 0.00 N ATOM 637 CA VAL A 44 -6.270 -0.730 3.494 1.00 0.00 C ATOM 638 C VAL A 44 -7.403 -1.754 3.411 1.00 0.00 C ATOM 639 O VAL A 44 -8.030 -1.908 2.364 1.00 0.00 O ATOM 640 CB VAL A 44 -4.887 -1.376 3.600 1.00 0.00 C ATOM 641 CG1 VAL A 44 -4.610 -2.279 2.396 1.00 0.00 C ATOM 642 CG2 VAL A 44 -3.796 -0.314 3.751 1.00 0.00 C ATOM 0 H VAL A 44 -5.719 0.206 5.287 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.278 -0.161 2.564 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.875 -1.998 4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.621 -2.726 2.496 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.361 -3.067 2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.650 -1.688 1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.823 -0.800 3.824 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.808 0.346 2.883 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.979 0.270 4.653 1.00 0.00 H new ATOM 652 N LEU A 45 -7.632 -2.427 4.529 1.00 0.00 N ATOM 653 CA LEU A 45 -8.679 -3.433 4.596 1.00 0.00 C ATOM 654 C LEU A 45 -10.029 -2.777 4.297 1.00 0.00 C ATOM 655 O LEU A 45 -10.897 -3.391 3.678 1.00 0.00 O ATOM 656 CB LEU A 45 -8.635 -4.164 5.940 1.00 0.00 C ATOM 657 CG LEU A 45 -7.426 -5.074 6.168 1.00 0.00 C ATOM 658 CD1 LEU A 45 -7.007 -5.765 4.870 1.00 0.00 C ATOM 659 CD2 LEU A 45 -6.270 -4.300 6.805 1.00 0.00 C ATOM 0 H LEU A 45 -7.111 -2.296 5.396 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.520 -4.199 3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.661 -3.421 6.737 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.540 -4.764 6.035 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.715 -5.856 6.870 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.146 -6.406 5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.833 -6.370 4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.743 -5.013 4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.423 -4.970 6.956 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.973 -3.483 6.147 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.589 -3.895 7.766 1.00 0.00 H new ATOM 671 N ASP A 46 -10.163 -1.540 4.751 1.00 0.00 N ATOM 672 CA ASP A 46 -11.393 -0.795 4.539 1.00 0.00 C ATOM 673 C ASP A 46 -11.570 -0.526 3.044 1.00 0.00 C ATOM 674 O ASP A 46 -12.695 -0.412 2.559 1.00 0.00 O ATOM 675 CB ASP A 46 -11.351 0.554 5.261 1.00 0.00 C ATOM 676 CG ASP A 46 -12.001 0.567 6.645 1.00 0.00 C ATOM 677 OD1 ASP A 46 -12.735 -0.401 6.937 1.00 0.00 O ATOM 678 OD2 ASP A 46 -11.750 1.546 7.381 1.00 0.00 O ATOM 0 H ASP A 46 -9.441 -1.035 5.265 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.219 -1.389 4.931 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.311 0.863 5.362 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.845 1.299 4.637 1.00 0.00 H new ATOM 683 N VAL A 47 -10.443 -0.432 2.354 1.00 0.00 N ATOM 684 CA VAL A 47 -10.460 -0.178 0.923 1.00 0.00 C ATOM 685 C VAL A 47 -10.665 -1.499 0.178 1.00 0.00 C ATOM 686 O VAL A 47 -11.635 -1.654 -0.562 1.00 0.00 O ATOM 687 CB VAL A 47 -9.182 0.551 0.506 1.00 0.00 C ATOM 688 CG1 VAL A 47 -9.032 0.568 -1.016 1.00 0.00 C ATOM 689 CG2 VAL A 47 -9.150 1.971 1.076 1.00 0.00 C ATOM 0 H VAL A 47 -9.512 -0.527 2.759 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.292 0.476 0.661 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.335 0.004 0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.115 1.092 -1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.988 -0.455 -1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.886 1.079 -1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.231 2.467 0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.008 2.531 0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.188 1.927 2.164 1.00 0.00 H new ATOM 699 N ILE A 48 -9.736 -2.417 0.400 1.00 0.00 N ATOM 700 CA ILE A 48 -9.802 -3.719 -0.241 1.00 0.00 C ATOM 701 C ILE A 48 -11.229 -4.262 -0.137 1.00 0.00 C ATOM 702 O ILE A 48 -11.729 -4.885 -1.072 1.00 0.00 O ATOM 703 CB ILE A 48 -8.743 -4.658 0.341 1.00 0.00 C ATOM 704 CG1 ILE A 48 -7.356 -4.333 -0.217 1.00 0.00 C ATOM 705 CG2 ILE A 48 -9.124 -6.122 0.114 1.00 0.00 C ATOM 706 CD1 ILE A 48 -6.273 -5.137 0.505 1.00 0.00 C ATOM 0 H ILE A 48 -8.933 -2.285 1.015 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.569 -3.633 -1.302 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.701 -4.500 1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.328 -4.555 -1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.157 -3.267 -0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.355 -6.768 0.537 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -10.078 -6.329 0.598 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -9.211 -6.314 -0.955 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.297 -4.887 0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.288 -4.895 1.568 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.462 -6.202 0.373 1.00 0.00 H new ATOM 718 N GLY A 49 -11.844 -4.005 1.008 1.00 0.00 N ATOM 719 CA GLY A 49 -13.203 -4.459 1.246 1.00 0.00 C ATOM 720 C GLY A 49 -14.133 -4.027 0.110 1.00 0.00 C ATOM 721 O GLY A 49 -15.100 -4.720 -0.203 1.00 0.00 O ATOM 0 H GLY A 49 -11.426 -3.488 1.781 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.216 -5.545 1.338 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.565 -4.054 2.191 1.00 0.00 H new ATOM 725 N GLN A 50 -13.807 -2.884 -0.476 1.00 0.00 N ATOM 726 CA GLN A 50 -14.601 -2.352 -1.570 1.00 0.00 C ATOM 727 C GLN A 50 -14.236 -3.052 -2.880 1.00 0.00 C ATOM 728 O GLN A 50 -15.066 -3.163 -3.781 1.00 0.00 O ATOM 729 CB GLN A 50 -14.423 -0.837 -1.689 1.00 0.00 C ATOM 730 CG GLN A 50 -14.753 -0.140 -0.368 1.00 0.00 C ATOM 731 CD GLN A 50 -15.778 0.976 -0.577 1.00 0.00 C ATOM 732 OE1 GLN A 50 -16.923 0.745 -0.928 1.00 0.00 O ATOM 733 NE2 GLN A 50 -15.304 2.197 -0.342 1.00 0.00 N ATOM 0 H GLN A 50 -13.004 -2.312 -0.214 1.00 0.00 H new ATOM 0 HA GLN A 50 -15.653 -2.546 -1.359 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -13.397 -0.610 -1.978 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -15.069 -0.452 -2.478 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -15.143 -0.868 0.344 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -13.843 0.274 0.066 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.334 2.320 -0.050 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.910 3.010 -0.453 1.00 0.00 H new ATOM 742 N VAL A 51 -12.993 -3.506 -2.945 1.00 0.00 N ATOM 743 CA VAL A 51 -12.508 -4.192 -4.131 1.00 0.00 C ATOM 744 C VAL A 51 -12.981 -5.646 -4.102 1.00 0.00 C ATOM 745 O VAL A 51 -13.438 -6.174 -5.115 1.00 0.00 O ATOM 746 CB VAL A 51 -10.986 -4.060 -4.226 1.00 0.00 C ATOM 747 CG1 VAL A 51 -10.450 -4.783 -5.462 1.00 0.00 C ATOM 748 CG2 VAL A 51 -10.562 -2.590 -4.223 1.00 0.00 C ATOM 0 H VAL A 51 -12.307 -3.412 -2.196 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.917 -3.735 -5.032 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.553 -4.535 -3.346 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.366 -4.674 -5.506 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.706 -5.841 -5.404 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.895 -4.350 -6.358 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.476 -2.524 -4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.011 -2.080 -5.076 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.897 -2.117 -3.300 1.00 0.00 H new ATOM 758 N LEU A 52 -12.856 -6.253 -2.931 1.00 0.00 N ATOM 759 CA LEU A 52 -13.265 -7.637 -2.757 1.00 0.00 C ATOM 760 C LEU A 52 -14.342 -7.713 -1.673 1.00 0.00 C ATOM 761 O LEU A 52 -14.059 -8.094 -0.538 1.00 0.00 O ATOM 762 CB LEU A 52 -12.050 -8.524 -2.481 1.00 0.00 C ATOM 763 CG LEU A 52 -11.130 -8.793 -3.674 1.00 0.00 C ATOM 764 CD1 LEU A 52 -10.208 -7.600 -3.935 1.00 0.00 C ATOM 765 CD2 LEU A 52 -10.346 -10.092 -3.481 1.00 0.00 C ATOM 0 H LEU A 52 -12.477 -5.812 -2.093 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.709 -8.022 -3.675 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.460 -8.062 -1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.404 -9.481 -2.097 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.750 -8.921 -4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.565 -7.817 -4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.809 -6.716 -4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.593 -7.416 -3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.700 -10.259 -4.343 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.737 -10.019 -2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.041 -10.925 -3.382 1.00 0.00 H new ATOM 777 N PRO A 53 -15.586 -7.335 -2.071 1.00 0.00 N ATOM 778 CA PRO A 53 -16.706 -7.357 -1.146 1.00 0.00 C ATOM 779 C PRO A 53 -17.183 -8.789 -0.897 1.00 0.00 C ATOM 780 O PRO A 53 -17.838 -9.063 0.108 1.00 0.00 O ATOM 781 CB PRO A 53 -17.767 -6.481 -1.792 1.00 0.00 C ATOM 782 CG PRO A 53 -17.386 -6.380 -3.260 1.00 0.00 C ATOM 783 CD PRO A 53 -15.958 -6.878 -3.407 1.00 0.00 C ATOM 0 HA PRO A 53 -16.443 -6.978 -0.158 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -18.759 -6.918 -1.675 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.796 -5.495 -1.327 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -18.063 -6.976 -3.872 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -17.468 -5.349 -3.606 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.894 -7.687 -4.135 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -15.295 -6.085 -3.753 1.00 0.00 H new ATOM 791 N GLU A 54 -16.837 -9.665 -1.829 1.00 0.00 N ATOM 792 CA GLU A 54 -17.222 -11.062 -1.723 1.00 0.00 C ATOM 793 C GLU A 54 -16.046 -11.899 -1.215 1.00 0.00 C ATOM 794 O GLU A 54 -16.198 -13.090 -0.945 1.00 0.00 O ATOM 795 CB GLU A 54 -17.734 -11.593 -3.063 1.00 0.00 C ATOM 796 CG GLU A 54 -17.409 -13.079 -3.225 1.00 0.00 C ATOM 797 CD GLU A 54 -18.026 -13.638 -4.509 1.00 0.00 C ATOM 798 OE1 GLU A 54 -17.972 -12.914 -5.527 1.00 0.00 O ATOM 799 OE2 GLU A 54 -18.537 -14.777 -4.444 1.00 0.00 O ATOM 0 H GLU A 54 -16.294 -9.434 -2.661 1.00 0.00 H new ATOM 0 HA GLU A 54 -18.037 -11.141 -1.003 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -18.812 -11.444 -3.129 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -17.283 -11.028 -3.878 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -16.328 -13.218 -3.246 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -17.785 -13.633 -2.365 1.00 0.00 H new ATOM 806 N ALA A 55 -14.900 -11.244 -1.102 1.00 0.00 N ATOM 807 CA ALA A 55 -13.699 -11.914 -0.631 1.00 0.00 C ATOM 808 C ALA A 55 -12.956 -10.995 0.341 1.00 0.00 C ATOM 809 O ALA A 55 -11.970 -10.361 -0.029 1.00 0.00 O ATOM 810 CB ALA A 55 -12.836 -12.315 -1.829 1.00 0.00 C ATOM 0 H ALA A 55 -14.777 -10.257 -1.328 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.954 -12.827 -0.092 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.935 -12.817 -1.477 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.399 -12.990 -2.474 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.558 -11.424 -2.392 1.00 0.00 H new ATOM 816 N THR A 56 -13.459 -10.954 1.567 1.00 0.00 N ATOM 817 CA THR A 56 -12.855 -10.124 2.595 1.00 0.00 C ATOM 818 C THR A 56 -11.341 -10.336 2.631 1.00 0.00 C ATOM 819 O THR A 56 -10.813 -11.189 1.919 1.00 0.00 O ATOM 820 CB THR A 56 -13.545 -10.440 3.923 1.00 0.00 C ATOM 821 OG1 THR A 56 -13.073 -9.429 4.810 1.00 0.00 O ATOM 822 CG2 THR A 56 -13.045 -11.745 4.547 1.00 0.00 C ATOM 0 H THR A 56 -14.277 -11.482 1.871 1.00 0.00 H new ATOM 0 HA THR A 56 -12.997 -9.065 2.382 1.00 0.00 H new ATOM 0 HB THR A 56 -14.622 -10.501 3.766 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.473 -9.558 5.695 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.567 -11.922 5.487 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.238 -12.572 3.864 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.974 -11.671 4.735 1.00 0.00 H new ATOM 830 N THR A 57 -10.684 -9.547 3.469 1.00 0.00 N ATOM 831 CA THR A 57 -9.241 -9.638 3.607 1.00 0.00 C ATOM 832 C THR A 57 -8.781 -8.927 4.881 1.00 0.00 C ATOM 833 O THR A 57 -9.197 -7.801 5.153 1.00 0.00 O ATOM 834 CB THR A 57 -8.607 -9.074 2.334 1.00 0.00 C ATOM 835 OG1 THR A 57 -8.499 -10.202 1.470 1.00 0.00 O ATOM 836 CG2 THR A 57 -7.159 -8.629 2.548 1.00 0.00 C ATOM 0 H THR A 57 -11.125 -8.842 4.059 1.00 0.00 H new ATOM 0 HA THR A 57 -8.919 -10.674 3.716 1.00 0.00 H new ATOM 0 HB THR A 57 -9.198 -8.229 1.979 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.187 -10.860 1.703 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.757 -8.237 1.614 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.126 -7.852 3.312 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.561 -9.481 2.871 1.00 0.00 H new ATOM 844 N THR A 58 -7.929 -9.612 5.629 1.00 0.00 N ATOM 845 CA THR A 58 -7.409 -9.060 6.868 1.00 0.00 C ATOM 846 C THR A 58 -5.881 -8.999 6.825 1.00 0.00 C ATOM 847 O THR A 58 -5.230 -8.894 7.863 1.00 0.00 O ATOM 848 CB THR A 58 -7.950 -9.902 8.025 1.00 0.00 C ATOM 849 OG1 THR A 58 -9.342 -9.601 8.053 1.00 0.00 O ATOM 850 CG2 THR A 58 -7.439 -9.425 9.386 1.00 0.00 C ATOM 0 H THR A 58 -7.586 -10.545 5.401 1.00 0.00 H new ATOM 0 HA THR A 58 -7.741 -8.032 7.012 1.00 0.00 H new ATOM 0 HB THR A 58 -7.669 -10.945 7.877 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.772 -10.107 8.774 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.853 -10.057 10.172 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.351 -9.485 9.408 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.748 -8.393 9.549 1.00 0.00 H new ATOM 858 N ALA A 59 -5.352 -9.066 5.611 1.00 0.00 N ATOM 859 CA ALA A 59 -3.913 -9.020 5.418 1.00 0.00 C ATOM 860 C ALA A 59 -3.598 -9.158 3.928 1.00 0.00 C ATOM 861 O ALA A 59 -4.405 -9.687 3.165 1.00 0.00 O ATOM 862 CB ALA A 59 -3.249 -10.113 6.259 1.00 0.00 C ATOM 0 H ALA A 59 -5.895 -9.152 4.752 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.512 -8.063 5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.169 -10.078 6.114 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.479 -9.952 7.312 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.625 -11.088 5.951 1.00 0.00 H new ATOM 868 N PHE A 60 -2.422 -8.674 3.557 1.00 0.00 N ATOM 869 CA PHE A 60 -1.990 -8.737 2.171 1.00 0.00 C ATOM 870 C PHE A 60 -0.464 -8.782 2.073 1.00 0.00 C ATOM 871 O PHE A 60 0.233 -8.263 2.944 1.00 0.00 O ATOM 872 CB PHE A 60 -2.495 -7.465 1.486 1.00 0.00 C ATOM 873 CG PHE A 60 -2.288 -6.191 2.309 1.00 0.00 C ATOM 874 CD1 PHE A 60 -3.052 -5.961 3.410 1.00 0.00 C ATOM 875 CD2 PHE A 60 -1.339 -5.290 1.939 1.00 0.00 C ATOM 876 CE1 PHE A 60 -2.859 -4.779 4.173 1.00 0.00 C ATOM 877 CE2 PHE A 60 -1.146 -4.108 2.702 1.00 0.00 C ATOM 878 CZ PHE A 60 -1.910 -3.877 3.803 1.00 0.00 C ATOM 0 H PHE A 60 -1.755 -8.236 4.192 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.384 -9.637 1.700 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.986 -7.354 0.529 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.558 -7.578 1.271 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.805 -6.677 3.704 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.732 -5.473 1.065 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.466 -4.596 5.047 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.392 -3.392 2.408 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.764 -2.978 4.383 1.00 0.00 H new ATOM 888 N GLU A 61 0.011 -9.408 1.006 1.00 0.00 N ATOM 889 CA GLU A 61 1.442 -9.528 0.784 1.00 0.00 C ATOM 890 C GLU A 61 1.905 -8.505 -0.255 1.00 0.00 C ATOM 891 O GLU A 61 1.118 -8.064 -1.091 1.00 0.00 O ATOM 892 CB GLU A 61 1.813 -10.949 0.357 1.00 0.00 C ATOM 893 CG GLU A 61 1.478 -11.958 1.458 1.00 0.00 C ATOM 894 CD GLU A 61 2.261 -13.258 1.267 1.00 0.00 C ATOM 895 OE1 GLU A 61 3.431 -13.286 1.705 1.00 0.00 O ATOM 896 OE2 GLU A 61 1.671 -14.196 0.688 1.00 0.00 O ATOM 0 H GLU A 61 -0.570 -9.837 0.286 1.00 0.00 H new ATOM 0 HA GLU A 61 1.955 -9.321 1.723 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.277 -11.210 -0.556 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.877 -10.997 0.126 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.711 -11.529 2.433 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.409 -12.169 1.450 1.00 0.00 H new ATOM 903 N TYR A 62 3.181 -8.156 -0.168 1.00 0.00 N ATOM 904 CA TYR A 62 3.758 -7.193 -1.090 1.00 0.00 C ATOM 905 C TYR A 62 5.224 -7.521 -1.378 1.00 0.00 C ATOM 906 O TYR A 62 6.023 -7.676 -0.455 1.00 0.00 O ATOM 907 CB TYR A 62 3.680 -5.837 -0.387 1.00 0.00 C ATOM 908 CG TYR A 62 4.877 -5.534 0.517 1.00 0.00 C ATOM 909 CD1 TYR A 62 6.088 -5.176 -0.039 1.00 0.00 C ATOM 910 CD2 TYR A 62 4.745 -5.620 1.888 1.00 0.00 C ATOM 911 CE1 TYR A 62 7.215 -4.892 0.812 1.00 0.00 C ATOM 912 CE2 TYR A 62 5.872 -5.335 2.739 1.00 0.00 C ATOM 913 CZ TYR A 62 7.051 -4.985 2.158 1.00 0.00 C ATOM 914 OH TYR A 62 8.115 -4.716 2.962 1.00 0.00 O ATOM 0 H TYR A 62 3.831 -8.523 0.527 1.00 0.00 H new ATOM 0 HA TYR A 62 3.223 -7.203 -2.040 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.599 -5.053 -1.140 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.769 -5.801 0.210 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.191 -5.109 -1.112 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.797 -5.901 2.323 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.169 -4.612 0.390 1.00 0.00 H new ATOM 0 HE2 TYR A 62 5.783 -5.398 3.813 1.00 0.00 H new ATOM 0 HH TYR A 62 7.851 -4.822 3.900 1.00 0.00 H new ATOM 924 N GLU A 63 5.535 -7.617 -2.663 1.00 0.00 N ATOM 925 CA GLU A 63 6.891 -7.923 -3.084 1.00 0.00 C ATOM 926 C GLU A 63 7.863 -6.865 -2.557 1.00 0.00 C ATOM 927 O GLU A 63 7.627 -5.668 -2.714 1.00 0.00 O ATOM 928 CB GLU A 63 6.979 -8.039 -4.607 1.00 0.00 C ATOM 929 CG GLU A 63 7.058 -9.504 -5.042 1.00 0.00 C ATOM 930 CD GLU A 63 6.858 -9.638 -6.553 1.00 0.00 C ATOM 931 OE1 GLU A 63 7.268 -8.696 -7.266 1.00 0.00 O ATOM 932 OE2 GLU A 63 6.301 -10.680 -6.961 1.00 0.00 O ATOM 0 H GLU A 63 4.870 -7.488 -3.426 1.00 0.00 H new ATOM 0 HA GLU A 63 7.172 -8.888 -2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.108 -7.567 -5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.857 -7.502 -4.966 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.026 -9.919 -4.761 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.299 -10.084 -4.518 1.00 0.00 H new ATOM 939 N ASP A 64 8.934 -7.345 -1.943 1.00 0.00 N ATOM 940 CA ASP A 64 9.942 -6.455 -1.392 1.00 0.00 C ATOM 941 C ASP A 64 11.087 -6.306 -2.395 1.00 0.00 C ATOM 942 O ASP A 64 10.933 -6.629 -3.572 1.00 0.00 O ATOM 943 CB ASP A 64 10.522 -7.017 -0.093 1.00 0.00 C ATOM 944 CG ASP A 64 11.412 -8.250 -0.262 1.00 0.00 C ATOM 945 OD1 ASP A 64 10.837 -9.340 -0.476 1.00 0.00 O ATOM 946 OD2 ASP A 64 12.646 -8.076 -0.173 1.00 0.00 O ATOM 0 H ASP A 64 9.126 -8.339 -1.815 1.00 0.00 H new ATOM 0 HA ASP A 64 9.469 -5.494 -1.190 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.101 -6.234 0.397 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.699 -7.271 0.575 1.00 0.00 H new ATOM 951 N GLU A 65 12.211 -5.816 -1.893 1.00 0.00 N ATOM 952 CA GLU A 65 13.382 -5.620 -2.731 1.00 0.00 C ATOM 953 C GLU A 65 13.760 -6.928 -3.430 1.00 0.00 C ATOM 954 O GLU A 65 13.686 -7.025 -4.654 1.00 0.00 O ATOM 955 CB GLU A 65 14.556 -5.076 -1.914 1.00 0.00 C ATOM 956 CG GLU A 65 14.818 -3.605 -2.242 1.00 0.00 C ATOM 957 CD GLU A 65 16.311 -3.348 -2.453 1.00 0.00 C ATOM 958 OE1 GLU A 65 17.049 -3.428 -1.447 1.00 0.00 O ATOM 959 OE2 GLU A 65 16.682 -3.077 -3.616 1.00 0.00 O ATOM 0 H GLU A 65 12.336 -5.549 -0.917 1.00 0.00 H new ATOM 0 HA GLU A 65 13.139 -4.880 -3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 65 14.344 -5.183 -0.850 1.00 0.00 H new ATOM 0 HB3 GLU A 65 15.451 -5.663 -2.121 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.267 -3.325 -3.140 1.00 0.00 H new ATOM 0 HG3 GLU A 65 14.448 -2.977 -1.432 1.00 0.00 H new ATOM 966 N ASP A 66 14.156 -7.900 -2.622 1.00 0.00 N ATOM 967 CA ASP A 66 14.545 -9.198 -3.148 1.00 0.00 C ATOM 968 C ASP A 66 13.332 -9.863 -3.802 1.00 0.00 C ATOM 969 O ASP A 66 13.476 -10.839 -4.536 1.00 0.00 O ATOM 970 CB ASP A 66 15.043 -10.118 -2.032 1.00 0.00 C ATOM 971 CG ASP A 66 16.179 -9.545 -1.181 1.00 0.00 C ATOM 972 OD1 ASP A 66 17.285 -9.390 -1.742 1.00 0.00 O ATOM 973 OD2 ASP A 66 15.916 -9.277 0.011 1.00 0.00 O ATOM 0 H ASP A 66 14.216 -7.815 -1.607 1.00 0.00 H new ATOM 0 HA ASP A 66 15.345 -9.042 -3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.205 -10.358 -1.378 1.00 0.00 H new ATOM 0 HB3 ASP A 66 15.379 -11.055 -2.477 1.00 0.00 H new ATOM 978 N GLY A 67 12.165 -9.307 -3.512 1.00 0.00 N ATOM 979 CA GLY A 67 10.928 -9.834 -4.063 1.00 0.00 C ATOM 980 C GLY A 67 10.611 -11.212 -3.479 1.00 0.00 C ATOM 981 O GLY A 67 10.584 -12.206 -4.203 1.00 0.00 O ATOM 0 H GLY A 67 12.050 -8.497 -2.903 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.109 -9.147 -3.849 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.010 -9.905 -5.148 1.00 0.00 H new ATOM 985 N ASP A 68 10.378 -11.228 -2.175 1.00 0.00 N ATOM 986 CA ASP A 68 10.064 -12.467 -1.485 1.00 0.00 C ATOM 987 C ASP A 68 8.608 -12.431 -1.017 1.00 0.00 C ATOM 988 O ASP A 68 8.145 -13.350 -0.344 1.00 0.00 O ATOM 989 CB ASP A 68 10.952 -12.652 -0.253 1.00 0.00 C ATOM 990 CG ASP A 68 11.184 -14.106 0.165 1.00 0.00 C ATOM 991 OD1 ASP A 68 10.776 -14.993 -0.616 1.00 0.00 O ATOM 992 OD2 ASP A 68 11.763 -14.297 1.256 1.00 0.00 O ATOM 0 H ASP A 68 10.400 -10.402 -1.578 1.00 0.00 H new ATOM 0 HA ASP A 68 10.233 -13.291 -2.179 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.919 -12.187 -0.447 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.503 -12.116 0.584 1.00 0.00 H new ATOM 997 N ARG A 69 7.926 -11.359 -1.393 1.00 0.00 N ATOM 998 CA ARG A 69 6.531 -11.191 -1.021 1.00 0.00 C ATOM 999 C ARG A 69 6.385 -11.192 0.502 1.00 0.00 C ATOM 1000 O ARG A 69 6.405 -12.250 1.130 1.00 0.00 O ATOM 1001 CB ARG A 69 5.665 -12.305 -1.611 1.00 0.00 C ATOM 1002 CG ARG A 69 5.678 -12.258 -3.140 1.00 0.00 C ATOM 1003 CD ARG A 69 4.489 -11.456 -3.674 1.00 0.00 C ATOM 1004 NE ARG A 69 4.342 -11.677 -5.130 1.00 0.00 N ATOM 1005 CZ ARG A 69 3.736 -12.742 -5.671 1.00 0.00 C ATOM 1006 NH1 ARG A 69 3.215 -13.690 -4.881 1.00 0.00 N ATOM 1007 NH2 ARG A 69 3.649 -12.859 -7.003 1.00 0.00 N ATOM 0 H ARG A 69 8.313 -10.598 -1.951 1.00 0.00 H new ATOM 0 HA ARG A 69 6.194 -10.235 -1.421 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.031 -13.274 -1.270 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.642 -12.205 -1.249 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.609 -11.809 -3.486 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.646 -13.272 -3.539 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.577 -11.756 -3.158 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.635 -10.395 -3.472 1.00 0.00 H new ATOM 0 HE ARG A 69 4.726 -10.974 -5.761 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.280 -13.601 -3.867 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.754 -14.501 -5.293 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.044 -12.137 -7.605 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.187 -13.670 -7.415 1.00 0.00 H new ATOM 1021 N ILE A 70 6.241 -9.996 1.052 1.00 0.00 N ATOM 1022 CA ILE A 70 6.091 -9.846 2.490 1.00 0.00 C ATOM 1023 C ILE A 70 4.623 -10.051 2.869 1.00 0.00 C ATOM 1024 O ILE A 70 3.790 -10.335 2.010 1.00 0.00 O ATOM 1025 CB ILE A 70 6.663 -8.504 2.951 1.00 0.00 C ATOM 1026 CG1 ILE A 70 7.875 -8.106 2.107 1.00 0.00 C ATOM 1027 CG2 ILE A 70 6.990 -8.533 4.446 1.00 0.00 C ATOM 1028 CD1 ILE A 70 8.898 -9.242 2.045 1.00 0.00 C ATOM 0 H ILE A 70 6.225 -9.121 0.528 1.00 0.00 H new ATOM 0 HA ILE A 70 6.666 -10.609 3.015 1.00 0.00 H new ATOM 0 HB ILE A 70 5.902 -7.738 2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.551 -7.848 1.099 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.340 -7.216 2.530 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.395 -7.567 4.749 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.082 -8.740 5.013 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.726 -9.313 4.642 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.749 -8.932 1.439 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.238 -9.481 3.053 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.437 -10.123 1.599 1.00 0.00 H new ATOM 1040 N THR A 71 4.351 -9.899 4.157 1.00 0.00 N ATOM 1041 CA THR A 71 2.998 -10.065 4.661 1.00 0.00 C ATOM 1042 C THR A 71 2.664 -8.960 5.665 1.00 0.00 C ATOM 1043 O THR A 71 3.372 -8.781 6.655 1.00 0.00 O ATOM 1044 CB THR A 71 2.880 -11.473 5.246 1.00 0.00 C ATOM 1045 OG1 THR A 71 2.894 -12.326 4.105 1.00 0.00 O ATOM 1046 CG2 THR A 71 1.514 -11.729 5.886 1.00 0.00 C ATOM 0 H THR A 71 5.044 -9.663 4.867 1.00 0.00 H new ATOM 0 HA THR A 71 2.264 -9.968 3.861 1.00 0.00 H new ATOM 0 HB THR A 71 3.663 -11.623 5.989 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.823 -13.260 4.394 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.484 -12.743 6.285 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.351 -11.016 6.694 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.733 -11.611 5.135 1.00 0.00 H new ATOM 1054 N VAL A 72 1.586 -8.247 5.374 1.00 0.00 N ATOM 1055 CA VAL A 72 1.149 -7.164 6.240 1.00 0.00 C ATOM 1056 C VAL A 72 -0.087 -7.609 7.022 1.00 0.00 C ATOM 1057 O VAL A 72 -1.179 -7.706 6.464 1.00 0.00 O ATOM 1058 CB VAL A 72 0.910 -5.898 5.414 1.00 0.00 C ATOM 1059 CG1 VAL A 72 0.323 -4.782 6.279 1.00 0.00 C ATOM 1060 CG2 VAL A 72 2.198 -5.440 4.727 1.00 0.00 C ATOM 0 H VAL A 72 1.002 -8.398 4.551 1.00 0.00 H new ATOM 0 HA VAL A 72 1.923 -6.921 6.967 1.00 0.00 H new ATOM 0 HB VAL A 72 0.183 -6.137 4.637 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.163 -3.894 5.668 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.628 -5.109 6.699 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.015 -4.546 7.087 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.000 -4.539 4.147 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.956 -5.227 5.480 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.556 -6.227 4.064 1.00 0.00 H new ATOM 1070 N ARG A 73 0.125 -7.869 8.304 1.00 0.00 N ATOM 1071 CA ARG A 73 -0.959 -8.302 9.170 1.00 0.00 C ATOM 1072 C ARG A 73 -1.210 -7.264 10.265 1.00 0.00 C ATOM 1073 O ARG A 73 -2.216 -7.331 10.970 1.00 0.00 O ATOM 1074 CB ARG A 73 -0.641 -9.651 9.818 1.00 0.00 C ATOM 1075 CG ARG A 73 -0.788 -10.792 8.809 1.00 0.00 C ATOM 1076 CD ARG A 73 -0.847 -12.146 9.518 1.00 0.00 C ATOM 1077 NE ARG A 73 -2.231 -12.669 9.496 1.00 0.00 N ATOM 1078 CZ ARG A 73 -3.126 -12.468 10.473 1.00 0.00 C ATOM 1079 NH1 ARG A 73 -2.787 -11.754 11.555 1.00 0.00 N ATOM 1080 NH2 ARG A 73 -4.360 -12.980 10.368 1.00 0.00 N ATOM 0 H ARG A 73 1.032 -7.788 8.764 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.852 -8.409 8.555 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.375 -9.638 10.213 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.309 -9.819 10.663 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.693 -10.646 8.219 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.051 -10.778 8.114 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.175 -12.851 9.029 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.505 -12.042 10.548 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.522 -13.217 8.686 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.848 -11.364 11.635 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.468 -11.601 12.299 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.618 -13.523 9.544 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.041 -12.827 11.112 1.00 0.00 H new ATOM 1094 N SER A 74 -0.279 -6.328 10.374 1.00 0.00 N ATOM 1095 CA SER A 74 -0.387 -5.277 11.372 1.00 0.00 C ATOM 1096 C SER A 74 0.211 -3.977 10.830 1.00 0.00 C ATOM 1097 O SER A 74 0.993 -3.998 9.880 1.00 0.00 O ATOM 1098 CB SER A 74 0.310 -5.680 12.673 1.00 0.00 C ATOM 1099 OG SER A 74 -0.622 -6.063 13.681 1.00 0.00 O ATOM 0 H SER A 74 0.554 -6.275 9.788 1.00 0.00 H new ATOM 0 HA SER A 74 -1.443 -5.120 11.591 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.993 -6.507 12.477 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.913 -4.847 13.034 1.00 0.00 H new ATOM 0 HG SER A 74 -0.138 -6.315 14.495 1.00 0.00 H new ATOM 1105 N ASP A 75 -0.180 -2.877 11.457 1.00 0.00 N ATOM 1106 CA ASP A 75 0.308 -1.571 11.049 1.00 0.00 C ATOM 1107 C ASP A 75 1.832 -1.617 10.921 1.00 0.00 C ATOM 1108 O ASP A 75 2.398 -1.043 9.992 1.00 0.00 O ATOM 1109 CB ASP A 75 -0.047 -0.502 12.085 1.00 0.00 C ATOM 1110 CG ASP A 75 -1.431 -0.652 12.720 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -2.392 -0.128 12.116 1.00 0.00 O ATOM 1112 OD2 ASP A 75 -1.497 -1.287 13.795 1.00 0.00 O ATOM 0 H ASP A 75 -0.829 -2.864 12.244 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.159 -1.320 10.096 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.703 -0.520 12.876 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.014 0.477 11.610 1.00 0.00 H new ATOM 1117 N GLU A 76 2.453 -2.305 11.868 1.00 0.00 N ATOM 1118 CA GLU A 76 3.900 -2.433 11.873 1.00 0.00 C ATOM 1119 C GLU A 76 4.404 -2.813 10.479 1.00 0.00 C ATOM 1120 O GLU A 76 5.195 -2.086 9.881 1.00 0.00 O ATOM 1121 CB GLU A 76 4.356 -3.454 12.917 1.00 0.00 C ATOM 1122 CG GLU A 76 5.115 -2.770 14.057 1.00 0.00 C ATOM 1123 CD GLU A 76 5.216 -3.687 15.277 1.00 0.00 C ATOM 1124 OE1 GLU A 76 6.013 -4.647 15.202 1.00 0.00 O ATOM 1125 OE2 GLU A 76 4.493 -3.408 16.258 1.00 0.00 O ATOM 0 H GLU A 76 1.980 -2.780 12.637 1.00 0.00 H new ATOM 0 HA GLU A 76 4.330 -1.468 12.143 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.490 -3.982 13.317 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.995 -4.201 12.446 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.115 -2.496 13.720 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.607 -1.846 14.333 1.00 0.00 H new ATOM 1132 N GLU A 77 3.924 -3.952 10.001 1.00 0.00 N ATOM 1133 CA GLU A 77 4.315 -4.437 8.689 1.00 0.00 C ATOM 1134 C GLU A 77 4.013 -3.384 7.621 1.00 0.00 C ATOM 1135 O GLU A 77 4.809 -3.176 6.707 1.00 0.00 O ATOM 1136 CB GLU A 77 3.621 -5.762 8.364 1.00 0.00 C ATOM 1137 CG GLU A 77 4.307 -6.929 9.077 1.00 0.00 C ATOM 1138 CD GLU A 77 3.276 -7.874 9.697 1.00 0.00 C ATOM 1139 OE1 GLU A 77 2.560 -7.412 10.612 1.00 0.00 O ATOM 1140 OE2 GLU A 77 3.227 -9.038 9.244 1.00 0.00 O ATOM 0 H GLU A 77 3.268 -4.553 10.499 1.00 0.00 H new ATOM 0 HA GLU A 77 5.390 -4.620 8.697 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.574 -5.712 8.665 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.636 -5.930 7.287 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.929 -7.477 8.369 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.969 -6.547 9.854 1.00 0.00 H new ATOM 1147 N MET A 78 2.861 -2.747 7.773 1.00 0.00 N ATOM 1148 CA MET A 78 2.444 -1.721 6.834 1.00 0.00 C ATOM 1149 C MET A 78 3.536 -0.664 6.656 1.00 0.00 C ATOM 1150 O MET A 78 4.112 -0.536 5.577 1.00 0.00 O ATOM 1151 CB MET A 78 1.165 -1.053 7.342 1.00 0.00 C ATOM 1152 CG MET A 78 0.008 -1.270 6.365 1.00 0.00 C ATOM 1153 SD MET A 78 -0.036 0.052 5.166 1.00 0.00 S ATOM 1154 CE MET A 78 -1.055 1.229 6.041 1.00 0.00 C ATOM 0 H MET A 78 2.204 -2.922 8.533 1.00 0.00 H new ATOM 0 HA MET A 78 2.260 -2.192 5.869 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.902 -1.459 8.319 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.337 0.015 7.476 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.124 -2.228 5.858 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.936 -1.310 6.909 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.717 2.241 5.816 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.093 1.115 5.728 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.978 1.051 7.114 1.00 0.00 H new ATOM 1164 N LYS A 79 3.788 0.068 7.732 1.00 0.00 N ATOM 1165 CA LYS A 79 4.800 1.109 7.708 1.00 0.00 C ATOM 1166 C LYS A 79 6.028 0.605 6.946 1.00 0.00 C ATOM 1167 O LYS A 79 6.607 1.334 6.143 1.00 0.00 O ATOM 1168 CB LYS A 79 5.112 1.586 9.128 1.00 0.00 C ATOM 1169 CG LYS A 79 4.108 2.648 9.583 1.00 0.00 C ATOM 1170 CD LYS A 79 4.558 3.305 10.889 1.00 0.00 C ATOM 1171 CE LYS A 79 4.033 2.533 12.100 1.00 0.00 C ATOM 1172 NZ LYS A 79 3.517 3.467 13.126 1.00 0.00 N ATOM 0 H LYS A 79 3.308 -0.040 8.626 1.00 0.00 H new ATOM 0 HA LYS A 79 4.431 1.985 7.175 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.087 0.739 9.814 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.121 1.996 9.164 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.000 3.407 8.808 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.128 2.192 9.720 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.647 3.346 10.923 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.199 4.334 10.925 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.241 1.852 11.789 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.831 1.923 12.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.164 2.927 13.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.282 4.100 13.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.742 4.031 12.723 1.00 0.00 H new ATOM 1186 N ALA A 80 6.387 -0.640 7.225 1.00 0.00 N ATOM 1187 CA ALA A 80 7.535 -1.250 6.576 1.00 0.00 C ATOM 1188 C ALA A 80 7.321 -1.245 5.061 1.00 0.00 C ATOM 1189 O ALA A 80 8.132 -0.695 4.318 1.00 0.00 O ATOM 1190 CB ALA A 80 7.744 -2.661 7.130 1.00 0.00 C ATOM 0 H ALA A 80 5.903 -1.242 7.891 1.00 0.00 H new ATOM 0 HA ALA A 80 8.441 -0.680 6.783 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.605 -3.119 6.643 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.920 -2.608 8.204 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.856 -3.263 6.937 1.00 0.00 H new ATOM 1196 N MET A 81 6.224 -1.863 4.648 1.00 0.00 N ATOM 1197 CA MET A 81 5.893 -1.937 3.235 1.00 0.00 C ATOM 1198 C MET A 81 5.954 -0.553 2.585 1.00 0.00 C ATOM 1199 O MET A 81 6.465 -0.406 1.475 1.00 0.00 O ATOM 1200 CB MET A 81 4.488 -2.518 3.069 1.00 0.00 C ATOM 1201 CG MET A 81 4.024 -2.424 1.614 1.00 0.00 C ATOM 1202 SD MET A 81 2.359 -3.049 1.463 1.00 0.00 S ATOM 1203 CE MET A 81 1.445 -1.652 2.096 1.00 0.00 C ATOM 0 H MET A 81 5.553 -2.317 5.267 1.00 0.00 H new ATOM 0 HA MET A 81 6.622 -2.581 2.743 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.481 -3.560 3.390 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.790 -1.982 3.712 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.064 -1.388 1.277 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.695 -2.995 0.972 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.956 -1.930 3.030 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.128 -0.822 2.277 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.692 -1.350 1.368 1.00 0.00 H new ATOM 1213 N LEU A 82 5.426 0.427 3.304 1.00 0.00 N ATOM 1214 CA LEU A 82 5.414 1.794 2.811 1.00 0.00 C ATOM 1215 C LEU A 82 6.838 2.352 2.833 1.00 0.00 C ATOM 1216 O LEU A 82 7.260 3.025 1.893 1.00 0.00 O ATOM 1217 CB LEU A 82 4.410 2.638 3.598 1.00 0.00 C ATOM 1218 CG LEU A 82 2.935 2.416 3.259 1.00 0.00 C ATOM 1219 CD1 LEU A 82 2.046 2.687 4.475 1.00 0.00 C ATOM 1220 CD2 LEU A 82 2.519 3.253 2.047 1.00 0.00 C ATOM 0 H LEU A 82 5.004 0.302 4.224 1.00 0.00 H new ATOM 0 HA LEU A 82 5.076 1.823 1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.552 2.439 4.660 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.645 3.690 3.437 1.00 0.00 H new ATOM 0 HG LEU A 82 2.800 1.369 2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.002 2.522 4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.323 2.013 5.286 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.178 3.719 4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.466 3.077 1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.672 4.310 2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.122 2.969 1.185 1.00 0.00 H new ATOM 1232 N SER A 83 7.541 2.051 3.915 1.00 0.00 N ATOM 1233 CA SER A 83 8.909 2.515 4.072 1.00 0.00 C ATOM 1234 C SER A 83 9.767 2.018 2.906 1.00 0.00 C ATOM 1235 O SER A 83 10.503 2.793 2.298 1.00 0.00 O ATOM 1236 CB SER A 83 9.500 2.047 5.403 1.00 0.00 C ATOM 1237 OG SER A 83 9.093 2.875 6.489 1.00 0.00 O ATOM 0 H SER A 83 7.189 1.491 4.692 1.00 0.00 H new ATOM 0 HA SER A 83 8.903 3.605 4.072 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.191 1.019 5.595 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.588 2.046 5.336 1.00 0.00 H new ATOM 0 HG SER A 83 8.169 2.660 6.736 1.00 0.00 H new ATOM 1243 N TYR A 84 9.643 0.728 2.630 1.00 0.00 N ATOM 1244 CA TYR A 84 10.397 0.119 1.548 1.00 0.00 C ATOM 1245 C TYR A 84 10.012 0.729 0.199 1.00 0.00 C ATOM 1246 O TYR A 84 10.848 1.324 -0.479 1.00 0.00 O ATOM 1247 CB TYR A 84 10.017 -1.363 1.552 1.00 0.00 C ATOM 1248 CG TYR A 84 9.918 -1.983 0.156 1.00 0.00 C ATOM 1249 CD1 TYR A 84 11.045 -2.096 -0.631 1.00 0.00 C ATOM 1250 CD2 TYR A 84 8.700 -2.431 -0.315 1.00 0.00 C ATOM 1251 CE1 TYR A 84 10.952 -2.679 -1.944 1.00 0.00 C ATOM 1252 CE2 TYR A 84 8.606 -3.014 -1.628 1.00 0.00 C ATOM 1253 CZ TYR A 84 9.737 -3.110 -2.378 1.00 0.00 C ATOM 1254 OH TYR A 84 9.648 -3.661 -3.618 1.00 0.00 O ATOM 0 H TYR A 84 9.032 0.088 3.137 1.00 0.00 H new ATOM 0 HA TYR A 84 11.466 0.277 1.689 1.00 0.00 H new ATOM 0 HB2 TYR A 84 10.756 -1.916 2.132 1.00 0.00 H new ATOM 0 HB3 TYR A 84 9.060 -1.481 2.060 1.00 0.00 H new ATOM 0 HD1 TYR A 84 11.998 -1.747 -0.262 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.818 -2.344 0.302 1.00 0.00 H new ATOM 0 HE1 TYR A 84 11.827 -2.772 -2.570 1.00 0.00 H new ATOM 0 HE2 TYR A 84 7.659 -3.367 -2.009 1.00 0.00 H new ATOM 0 HH TYR A 84 8.993 -4.390 -3.606 1.00 0.00 H new ATOM 1264 N TYR A 85 8.745 0.560 -0.150 1.00 0.00 N ATOM 1265 CA TYR A 85 8.238 1.087 -1.406 1.00 0.00 C ATOM 1266 C TYR A 85 8.850 2.455 -1.713 1.00 0.00 C ATOM 1267 O TYR A 85 9.279 2.709 -2.838 1.00 0.00 O ATOM 1268 CB TYR A 85 6.728 1.247 -1.217 1.00 0.00 C ATOM 1269 CG TYR A 85 5.984 1.667 -2.486 1.00 0.00 C ATOM 1270 CD1 TYR A 85 5.853 0.780 -3.535 1.00 0.00 C ATOM 1271 CD2 TYR A 85 5.444 2.934 -2.582 1.00 0.00 C ATOM 1272 CE1 TYR A 85 5.152 1.176 -4.730 1.00 0.00 C ATOM 1273 CE2 TYR A 85 4.744 3.330 -3.776 1.00 0.00 C ATOM 1274 CZ TYR A 85 4.632 2.431 -4.791 1.00 0.00 C ATOM 1275 OH TYR A 85 3.971 2.805 -5.919 1.00 0.00 O ATOM 0 H TYR A 85 8.054 0.066 0.415 1.00 0.00 H new ATOM 0 HA TYR A 85 8.487 0.420 -2.231 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.315 0.303 -0.861 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.546 1.988 -0.439 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.276 -0.211 -3.460 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.547 3.628 -1.761 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.042 0.492 -5.558 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.317 4.318 -3.864 1.00 0.00 H new ATOM 0 HH TYR A 85 4.594 2.813 -6.676 1.00 0.00 H new ATOM 1285 N TYR A 86 8.870 3.301 -0.693 1.00 0.00 N ATOM 1286 CA TYR A 86 9.422 4.637 -0.841 1.00 0.00 C ATOM 1287 C TYR A 86 10.948 4.592 -0.939 1.00 0.00 C ATOM 1288 O TYR A 86 11.536 5.216 -1.821 1.00 0.00 O ATOM 1289 CB TYR A 86 9.027 5.398 0.426 1.00 0.00 C ATOM 1290 CG TYR A 86 7.516 5.511 0.639 1.00 0.00 C ATOM 1291 CD1 TYR A 86 6.667 5.554 -0.449 1.00 0.00 C ATOM 1292 CD2 TYR A 86 7.001 5.569 1.918 1.00 0.00 C ATOM 1293 CE1 TYR A 86 5.245 5.660 -0.249 1.00 0.00 C ATOM 1294 CE2 TYR A 86 5.579 5.675 2.118 1.00 0.00 C ATOM 1295 CZ TYR A 86 4.771 5.715 1.025 1.00 0.00 C ATOM 1296 OH TYR A 86 3.428 5.815 1.214 1.00 0.00 O ATOM 0 H TYR A 86 8.513 3.087 0.238 1.00 0.00 H new ATOM 0 HA TYR A 86 9.046 5.110 -1.748 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.469 4.900 1.289 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.453 6.400 0.383 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.070 5.508 -1.450 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.665 5.535 2.769 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.570 5.695 -1.091 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.163 5.722 3.114 1.00 0.00 H new ATOM 0 HH TYR A 86 2.963 5.596 0.380 1.00 0.00 H new ATOM 1306 N SER A 87 11.547 3.848 -0.020 1.00 0.00 N ATOM 1307 CA SER A 87 12.993 3.713 0.008 1.00 0.00 C ATOM 1308 C SER A 87 13.500 3.232 -1.353 1.00 0.00 C ATOM 1309 O SER A 87 14.630 3.530 -1.740 1.00 0.00 O ATOM 1310 CB SER A 87 13.436 2.750 1.110 1.00 0.00 C ATOM 1311 OG SER A 87 14.336 3.365 2.028 1.00 0.00 O ATOM 0 H SER A 87 11.056 3.332 0.711 1.00 0.00 H new ATOM 0 HA SER A 87 13.423 4.691 0.224 1.00 0.00 H new ATOM 0 HB2 SER A 87 12.560 2.388 1.649 1.00 0.00 H new ATOM 0 HB3 SER A 87 13.915 1.880 0.660 1.00 0.00 H new ATOM 0 HG SER A 87 14.594 2.717 2.717 1.00 0.00 H new ATOM 1317 N THR A 88 12.641 2.495 -2.042 1.00 0.00 N ATOM 1318 CA THR A 88 12.988 1.970 -3.352 1.00 0.00 C ATOM 1319 C THR A 88 12.456 2.888 -4.453 1.00 0.00 C ATOM 1320 O THR A 88 13.172 3.206 -5.402 1.00 0.00 O ATOM 1321 CB THR A 88 12.454 0.539 -3.443 1.00 0.00 C ATOM 1322 OG1 THR A 88 13.436 -0.149 -4.214 1.00 0.00 O ATOM 1323 CG2 THR A 88 11.182 0.441 -4.287 1.00 0.00 C ATOM 0 H THR A 88 11.706 2.249 -1.718 1.00 0.00 H new ATOM 0 HA THR A 88 14.068 1.940 -3.493 1.00 0.00 H new ATOM 0 HB THR A 88 12.254 0.162 -2.440 1.00 0.00 H new ATOM 0 HG1 THR A 88 13.170 -1.086 -4.321 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.845 -0.595 -4.319 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.403 1.062 -3.845 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.390 0.786 -5.300 1.00 0.00 H new ATOM 1331 N VAL A 89 11.203 3.289 -4.291 1.00 0.00 N ATOM 1332 CA VAL A 89 10.567 4.165 -5.260 1.00 0.00 C ATOM 1333 C VAL A 89 11.474 5.367 -5.529 1.00 0.00 C ATOM 1334 O VAL A 89 11.737 5.706 -6.682 1.00 0.00 O ATOM 1335 CB VAL A 89 9.174 4.566 -4.768 1.00 0.00 C ATOM 1336 CG1 VAL A 89 8.733 5.892 -5.391 1.00 0.00 C ATOM 1337 CG2 VAL A 89 8.154 3.461 -5.050 1.00 0.00 C ATOM 0 H VAL A 89 10.612 3.023 -3.503 1.00 0.00 H new ATOM 0 HA VAL A 89 10.426 3.646 -6.208 1.00 0.00 H new ATOM 0 HB VAL A 89 9.227 4.705 -3.688 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.740 6.154 -5.025 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.439 6.676 -5.117 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.705 5.793 -6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.173 3.771 -4.691 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.106 3.276 -6.123 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.456 2.548 -4.537 1.00 0.00 H new ATOM 1347 N MET A 90 11.928 5.979 -4.445 1.00 0.00 N ATOM 1348 CA MET A 90 12.801 7.136 -4.549 1.00 0.00 C ATOM 1349 C MET A 90 14.068 6.798 -5.337 1.00 0.00 C ATOM 1350 O MET A 90 14.669 7.673 -5.958 1.00 0.00 O ATOM 1351 CB MET A 90 13.184 7.615 -3.147 1.00 0.00 C ATOM 1352 CG MET A 90 14.293 6.743 -2.554 1.00 0.00 C ATOM 1353 SD MET A 90 14.740 7.343 -0.933 1.00 0.00 S ATOM 1354 CE MET A 90 16.050 6.200 -0.530 1.00 0.00 C ATOM 0 H MET A 90 11.708 5.695 -3.490 1.00 0.00 H new ATOM 0 HA MET A 90 12.266 7.925 -5.078 1.00 0.00 H new ATOM 0 HB2 MET A 90 13.516 8.652 -3.191 1.00 0.00 H new ATOM 0 HB3 MET A 90 12.309 7.588 -2.498 1.00 0.00 H new ATOM 0 HG2 MET A 90 13.957 5.708 -2.488 1.00 0.00 H new ATOM 0 HG3 MET A 90 15.165 6.754 -3.208 1.00 0.00 H new ATOM 0 HE1 MET A 90 16.762 6.684 0.139 1.00 0.00 H new ATOM 0 HE2 MET A 90 15.629 5.323 -0.039 1.00 0.00 H new ATOM 0 HE3 MET A 90 16.560 5.895 -1.443 1.00 0.00 H new ATOM 1364 N GLU A 91 14.437 5.526 -5.286 1.00 0.00 N ATOM 1365 CA GLU A 91 15.621 5.062 -5.987 1.00 0.00 C ATOM 1366 C GLU A 91 15.316 4.867 -7.474 1.00 0.00 C ATOM 1367 O GLU A 91 16.207 4.984 -8.314 1.00 0.00 O ATOM 1368 CB GLU A 91 16.157 3.771 -5.364 1.00 0.00 C ATOM 1369 CG GLU A 91 16.981 4.068 -4.110 1.00 0.00 C ATOM 1370 CD GLU A 91 18.359 4.623 -4.479 1.00 0.00 C ATOM 1371 OE1 GLU A 91 18.881 4.193 -5.530 1.00 0.00 O ATOM 1372 OE2 GLU A 91 18.859 5.463 -3.701 1.00 0.00 O ATOM 0 H GLU A 91 13.936 4.803 -4.770 1.00 0.00 H new ATOM 0 HA GLU A 91 16.396 5.822 -5.892 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.326 3.113 -5.110 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.772 3.241 -6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.451 4.786 -3.484 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.097 3.157 -3.522 1.00 0.00 H new ATOM 1379 N GLN A 92 14.054 4.574 -7.753 1.00 0.00 N ATOM 1380 CA GLN A 92 13.621 4.363 -9.123 1.00 0.00 C ATOM 1381 C GLN A 92 13.622 5.687 -9.891 1.00 0.00 C ATOM 1382 O GLN A 92 13.712 5.697 -11.117 1.00 0.00 O ATOM 1383 CB GLN A 92 12.240 3.705 -9.166 1.00 0.00 C ATOM 1384 CG GLN A 92 12.329 2.219 -8.813 1.00 0.00 C ATOM 1385 CD GLN A 92 11.035 1.490 -9.181 1.00 0.00 C ATOM 1386 OE1 GLN A 92 10.342 0.940 -8.342 1.00 0.00 O ATOM 1387 NE2 GLN A 92 10.750 1.516 -10.480 1.00 0.00 N ATOM 0 H GLN A 92 13.318 4.478 -7.053 1.00 0.00 H new ATOM 0 HA GLN A 92 14.325 3.686 -9.606 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.571 4.209 -8.468 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.809 3.821 -10.160 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.169 1.766 -9.340 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.524 2.106 -7.747 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.374 1.995 -11.130 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.908 1.057 -10.827 1.00 0.00 H new ATOM 1396 N GLN A 93 13.521 6.771 -9.136 1.00 0.00 N ATOM 1397 CA GLN A 93 13.509 8.097 -9.730 1.00 0.00 C ATOM 1398 C GLN A 93 14.938 8.567 -10.009 1.00 0.00 C ATOM 1399 O GLN A 93 15.227 9.080 -11.089 1.00 0.00 O ATOM 1400 CB GLN A 93 12.770 9.093 -8.834 1.00 0.00 C ATOM 1401 CG GLN A 93 11.371 8.582 -8.484 1.00 0.00 C ATOM 1402 CD GLN A 93 10.358 9.729 -8.461 1.00 0.00 C ATOM 1403 OE1 GLN A 93 10.473 10.707 -9.181 1.00 0.00 O ATOM 1404 NE2 GLN A 93 9.364 9.554 -7.595 1.00 0.00 N ATOM 0 H GLN A 93 13.447 6.758 -8.119 1.00 0.00 H new ATOM 0 HA GLN A 93 12.973 8.044 -10.678 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.340 9.258 -7.920 1.00 0.00 H new ATOM 0 HB3 GLN A 93 12.694 10.056 -9.340 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.061 7.833 -9.212 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.392 8.091 -7.511 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.329 8.710 -7.023 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.637 10.263 -7.503 1.00 0.00 H new ATOM 1413 N VAL A 94 15.795 8.374 -9.016 1.00 0.00 N ATOM 1414 CA VAL A 94 17.187 8.772 -9.141 1.00 0.00 C ATOM 1415 C VAL A 94 17.803 8.077 -10.357 1.00 0.00 C ATOM 1416 O VAL A 94 18.761 8.579 -10.944 1.00 0.00 O ATOM 1417 CB VAL A 94 17.934 8.474 -7.840 1.00 0.00 C ATOM 1418 CG1 VAL A 94 17.100 8.880 -6.623 1.00 0.00 C ATOM 1419 CG2 VAL A 94 18.336 7.000 -7.763 1.00 0.00 C ATOM 0 H VAL A 94 15.552 7.947 -8.122 1.00 0.00 H new ATOM 0 HA VAL A 94 17.265 9.847 -9.306 1.00 0.00 H new ATOM 0 HB VAL A 94 18.847 9.070 -7.834 1.00 0.00 H new ATOM 0 HG11 VAL A 94 17.654 8.657 -5.711 1.00 0.00 H new ATOM 0 HG12 VAL A 94 16.888 9.948 -6.667 1.00 0.00 H new ATOM 0 HG13 VAL A 94 16.163 8.324 -6.622 1.00 0.00 H new ATOM 0 HG21 VAL A 94 18.865 6.816 -6.828 1.00 0.00 H new ATOM 0 HG22 VAL A 94 17.443 6.377 -7.803 1.00 0.00 H new ATOM 0 HG23 VAL A 94 18.987 6.756 -8.603 1.00 0.00 H new ATOM 1429 N ASN A 95 17.229 6.934 -10.700 1.00 0.00 N ATOM 1430 CA ASN A 95 17.711 6.165 -11.835 1.00 0.00 C ATOM 1431 C ASN A 95 17.090 6.718 -13.120 1.00 0.00 C ATOM 1432 O ASN A 95 17.805 7.072 -14.057 1.00 0.00 O ATOM 1433 CB ASN A 95 17.312 4.693 -11.713 1.00 0.00 C ATOM 1434 CG ASN A 95 18.498 3.840 -11.260 1.00 0.00 C ATOM 1435 OD1 ASN A 95 18.989 2.983 -11.977 1.00 0.00 O ATOM 1436 ND2 ASN A 95 18.929 4.120 -10.034 1.00 0.00 N ATOM 0 H ASN A 95 16.434 6.521 -10.212 1.00 0.00 H new ATOM 0 HA ASN A 95 18.798 6.243 -11.858 1.00 0.00 H new ATOM 0 HB2 ASN A 95 16.494 4.592 -11.000 1.00 0.00 H new ATOM 0 HB3 ASN A 95 16.945 4.331 -12.673 1.00 0.00 H new ATOM 0 HD21 ASN A 95 19.716 3.605 -9.640 1.00 0.00 H new ATOM 0 HD22 ASN A 95 18.472 4.850 -9.487 1.00 0.00 H new ATOM 1443 N GLY A 96 15.767 6.776 -13.122 1.00 0.00 N ATOM 1444 CA GLY A 96 15.042 7.280 -14.276 1.00 0.00 C ATOM 1445 C GLY A 96 13.759 6.480 -14.511 1.00 0.00 C ATOM 1446 O GLY A 96 12.684 7.056 -14.673 1.00 0.00 O ATOM 0 H GLY A 96 15.178 6.482 -12.343 1.00 0.00 H new ATOM 0 HA2 GLY A 96 14.797 8.331 -14.125 1.00 0.00 H new ATOM 0 HA3 GLY A 96 15.676 7.225 -15.161 1.00 0.00 H new ATOM 1450 N GLN A 97 13.914 5.164 -14.521 1.00 0.00 N ATOM 1451 CA GLN A 97 12.782 4.278 -14.733 1.00 0.00 C ATOM 1452 C GLN A 97 11.543 4.820 -14.016 1.00 0.00 C ATOM 1453 O GLN A 97 11.657 5.483 -12.986 1.00 0.00 O ATOM 1454 CB GLN A 97 13.104 2.856 -14.270 1.00 0.00 C ATOM 1455 CG GLN A 97 13.711 2.860 -12.866 1.00 0.00 C ATOM 1456 CD GLN A 97 14.380 1.520 -12.554 1.00 0.00 C ATOM 1457 OE1 GLN A 97 13.734 0.525 -12.273 1.00 0.00 O ATOM 1458 NE2 GLN A 97 15.709 1.552 -12.619 1.00 0.00 N ATOM 0 H GLN A 97 14.807 4.690 -14.386 1.00 0.00 H new ATOM 0 HA GLN A 97 12.572 4.238 -15.802 1.00 0.00 H new ATOM 0 HB2 GLN A 97 12.196 2.254 -14.275 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.799 2.391 -14.969 1.00 0.00 H new ATOM 0 HG2 GLN A 97 14.443 3.664 -12.785 1.00 0.00 H new ATOM 0 HG3 GLN A 97 12.933 3.062 -12.130 1.00 0.00 H new ATOM 0 HE21 GLN A 97 16.187 2.420 -12.861 1.00 0.00 H new ATOM 0 HE22 GLN A 97 16.249 0.708 -12.427 1.00 0.00 H new ATOM 1467 N LEU A 98 10.387 4.519 -14.590 1.00 0.00 N ATOM 1468 CA LEU A 98 9.129 4.968 -14.020 1.00 0.00 C ATOM 1469 C LEU A 98 8.876 4.225 -12.706 1.00 0.00 C ATOM 1470 O LEU A 98 9.327 3.094 -12.531 1.00 0.00 O ATOM 1471 CB LEU A 98 7.996 4.820 -15.037 1.00 0.00 C ATOM 1472 CG LEU A 98 7.984 5.837 -16.180 1.00 0.00 C ATOM 1473 CD1 LEU A 98 6.613 6.504 -16.306 1.00 0.00 C ATOM 1474 CD2 LEU A 98 9.107 6.863 -16.013 1.00 0.00 C ATOM 0 H LEU A 98 10.296 3.969 -15.444 1.00 0.00 H new ATOM 0 HA LEU A 98 9.176 6.031 -13.783 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.049 3.820 -15.467 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.047 4.889 -14.506 1.00 0.00 H new ATOM 0 HG LEU A 98 8.170 5.305 -17.113 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.632 7.222 -17.126 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.856 5.745 -16.506 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.373 7.020 -15.377 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.076 7.574 -16.839 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.977 7.395 -15.071 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.070 6.352 -16.011 1.00 0.00 H new ATOM 1486 N ILE A 99 8.155 4.891 -11.816 1.00 0.00 N ATOM 1487 CA ILE A 99 7.837 4.309 -10.524 1.00 0.00 C ATOM 1488 C ILE A 99 6.768 3.229 -10.705 1.00 0.00 C ATOM 1489 O ILE A 99 5.897 3.351 -11.565 1.00 0.00 O ATOM 1490 CB ILE A 99 7.445 5.400 -9.526 1.00 0.00 C ATOM 1491 CG1 ILE A 99 8.553 6.448 -9.395 1.00 0.00 C ATOM 1492 CG2 ILE A 99 7.066 4.796 -8.172 1.00 0.00 C ATOM 1493 CD1 ILE A 99 9.794 5.852 -8.728 1.00 0.00 C ATOM 0 H ILE A 99 7.782 5.829 -11.965 1.00 0.00 H new ATOM 0 HA ILE A 99 8.715 3.822 -10.100 1.00 0.00 H new ATOM 0 HB ILE A 99 6.562 5.911 -9.910 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.814 6.831 -10.381 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.192 7.294 -8.810 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.792 5.594 -7.482 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.221 4.120 -8.299 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.915 4.244 -7.769 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.566 6.617 -8.647 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.534 5.491 -7.733 1.00 0.00 H new ATOM 0 HD13 ILE A 99 10.167 5.022 -9.329 1.00 0.00 H new ATOM 1505 N GLU A 100 6.869 2.197 -9.880 1.00 0.00 N ATOM 1506 CA GLU A 100 5.922 1.097 -9.939 1.00 0.00 C ATOM 1507 C GLU A 100 4.945 1.174 -8.765 1.00 0.00 C ATOM 1508 O GLU A 100 5.276 1.719 -7.712 1.00 0.00 O ATOM 1509 CB GLU A 100 6.647 -0.250 -9.961 1.00 0.00 C ATOM 1510 CG GLU A 100 7.508 -0.390 -11.218 1.00 0.00 C ATOM 1511 CD GLU A 100 6.686 -0.934 -12.388 1.00 0.00 C ATOM 1512 OE1 GLU A 100 6.112 -2.031 -12.216 1.00 0.00 O ATOM 1513 OE2 GLU A 100 6.651 -0.241 -13.428 1.00 0.00 O ATOM 0 H GLU A 100 7.592 2.100 -9.167 1.00 0.00 H new ATOM 0 HA GLU A 100 5.354 1.182 -10.865 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.274 -0.344 -9.074 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.918 -1.060 -9.923 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.929 0.579 -11.484 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.346 -1.057 -11.017 1.00 0.00 H new ATOM 1520 N PRO A 101 3.729 0.608 -8.990 1.00 0.00 N ATOM 1521 CA PRO A 101 2.702 0.607 -7.962 1.00 0.00 C ATOM 1522 C PRO A 101 3.017 -0.418 -6.872 1.00 0.00 C ATOM 1523 O PRO A 101 3.642 -1.443 -7.140 1.00 0.00 O ATOM 1524 CB PRO A 101 1.407 0.310 -8.701 1.00 0.00 C ATOM 1525 CG PRO A 101 1.817 -0.302 -10.031 1.00 0.00 C ATOM 1526 CD PRO A 101 3.303 -0.046 -10.224 1.00 0.00 C ATOM 0 HA PRO A 101 2.635 1.558 -7.434 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.781 -0.377 -8.131 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.826 1.220 -8.852 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.610 -1.372 -10.039 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.245 0.139 -10.847 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.847 -0.976 -10.388 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.486 0.588 -11.092 1.00 0.00 H new ATOM 1534 N LEU A 102 2.569 -0.107 -5.664 1.00 0.00 N ATOM 1535 CA LEU A 102 2.795 -0.989 -4.532 1.00 0.00 C ATOM 1536 C LEU A 102 2.058 -2.310 -4.764 1.00 0.00 C ATOM 1537 O LEU A 102 0.990 -2.537 -4.196 1.00 0.00 O ATOM 1538 CB LEU A 102 2.412 -0.292 -3.225 1.00 0.00 C ATOM 1539 CG LEU A 102 2.656 -1.090 -1.943 1.00 0.00 C ATOM 1540 CD1 LEU A 102 4.036 -1.751 -1.962 1.00 0.00 C ATOM 1541 CD2 LEU A 102 2.458 -0.213 -0.705 1.00 0.00 C ATOM 0 H LEU A 102 2.051 0.744 -5.445 1.00 0.00 H new ATOM 0 HA LEU A 102 3.855 -1.227 -4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.968 0.643 -3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.355 -0.032 -3.272 1.00 0.00 H new ATOM 0 HG LEU A 102 1.917 -1.890 -1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.184 -2.312 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.103 -2.429 -2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.806 -0.984 -2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.638 -0.805 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.158 0.622 -0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.437 0.169 -0.689 1.00 0.00 H new ATOM 1553 N GLN A 103 2.656 -3.146 -5.600 1.00 0.00 N ATOM 1554 CA GLN A 103 2.070 -4.437 -5.914 1.00 0.00 C ATOM 1555 C GLN A 103 1.806 -5.227 -4.630 1.00 0.00 C ATOM 1556 O GLN A 103 2.741 -5.599 -3.923 1.00 0.00 O ATOM 1557 CB GLN A 103 2.965 -5.228 -6.870 1.00 0.00 C ATOM 1558 CG GLN A 103 2.217 -6.428 -7.455 1.00 0.00 C ATOM 1559 CD GLN A 103 3.175 -7.362 -8.198 1.00 0.00 C ATOM 1560 OE1 GLN A 103 3.955 -8.091 -7.608 1.00 0.00 O ATOM 1561 NE2 GLN A 103 3.073 -7.299 -9.522 1.00 0.00 N ATOM 0 H GLN A 103 3.541 -2.954 -6.070 1.00 0.00 H new ATOM 0 HA GLN A 103 1.117 -4.269 -6.416 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.305 -4.579 -7.677 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.854 -5.572 -6.341 1.00 0.00 H new ATOM 0 HG2 GLN A 103 1.717 -6.975 -6.655 1.00 0.00 H new ATOM 0 HG3 GLN A 103 1.441 -6.080 -8.137 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.398 -6.666 -9.952 1.00 0.00 H new ATOM 0 HE22 GLN A 103 3.669 -7.883 -10.108 1.00 0.00 H new ATOM 1570 N ILE A 104 0.528 -5.459 -4.368 1.00 0.00 N ATOM 1571 CA ILE A 104 0.130 -6.198 -3.182 1.00 0.00 C ATOM 1572 C ILE A 104 -0.828 -7.321 -3.584 1.00 0.00 C ATOM 1573 O ILE A 104 -1.089 -7.525 -4.769 1.00 0.00 O ATOM 1574 CB ILE A 104 -0.443 -5.249 -2.128 1.00 0.00 C ATOM 1575 CG1 ILE A 104 -1.590 -4.416 -2.704 1.00 0.00 C ATOM 1576 CG2 ILE A 104 0.655 -4.372 -1.525 1.00 0.00 C ATOM 1577 CD1 ILE A 104 -2.562 -3.986 -1.604 1.00 0.00 C ATOM 0 H ILE A 104 -0.245 -5.148 -4.957 1.00 0.00 H new ATOM 0 HA ILE A 104 0.996 -6.669 -2.717 1.00 0.00 H new ATOM 0 HB ILE A 104 -0.857 -5.849 -1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.189 -3.535 -3.204 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.122 -4.996 -3.458 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.221 -3.707 -0.779 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.408 -5.004 -1.054 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.121 -3.779 -2.312 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.367 -3.395 -2.041 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.980 -4.870 -1.122 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.032 -3.386 -0.864 1.00 0.00 H new ATOM 1589 N PHE A 105 -1.326 -8.021 -2.575 1.00 0.00 N ATOM 1590 CA PHE A 105 -2.249 -9.118 -2.808 1.00 0.00 C ATOM 1591 C PHE A 105 -3.170 -9.325 -1.604 1.00 0.00 C ATOM 1592 O PHE A 105 -2.700 -9.525 -0.485 1.00 0.00 O ATOM 1593 CB PHE A 105 -1.405 -10.377 -3.012 1.00 0.00 C ATOM 1594 CG PHE A 105 -0.397 -10.272 -4.158 1.00 0.00 C ATOM 1595 CD1 PHE A 105 0.829 -9.725 -3.938 1.00 0.00 C ATOM 1596 CD2 PHE A 105 -0.726 -10.725 -5.398 1.00 0.00 C ATOM 1597 CE1 PHE A 105 1.764 -9.627 -5.001 1.00 0.00 C ATOM 1598 CE2 PHE A 105 0.209 -10.627 -6.461 1.00 0.00 C ATOM 1599 CZ PHE A 105 1.435 -10.080 -6.241 1.00 0.00 C ATOM 0 H PHE A 105 -1.107 -7.849 -1.594 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.873 -8.901 -3.675 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -0.868 -10.596 -2.089 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.069 -11.220 -3.202 1.00 0.00 H new ATOM 0 HD1 PHE A 105 1.091 -9.365 -2.954 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -1.699 -11.159 -5.573 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.737 -9.193 -4.826 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -0.053 -10.987 -7.445 1.00 0.00 H new ATOM 0 HZ PHE A 105 2.147 -10.005 -7.050 1.00 0.00 H new ATOM 1609 N PRO A 106 -4.500 -9.269 -1.881 1.00 0.00 N ATOM 1610 CA PRO A 106 -5.491 -9.449 -0.834 1.00 0.00 C ATOM 1611 C PRO A 106 -5.602 -10.920 -0.430 1.00 0.00 C ATOM 1612 O PRO A 106 -6.162 -11.730 -1.168 1.00 0.00 O ATOM 1613 CB PRO A 106 -6.782 -8.893 -1.414 1.00 0.00 C ATOM 1614 CG PRO A 106 -6.578 -8.851 -2.920 1.00 0.00 C ATOM 1615 CD PRO A 106 -5.094 -9.035 -3.194 1.00 0.00 C ATOM 0 HA PRO A 106 -5.228 -8.930 0.087 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -7.631 -9.524 -1.152 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -6.991 -7.898 -1.020 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -7.156 -9.637 -3.406 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -6.926 -7.901 -3.326 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -4.917 -9.876 -3.864 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -4.667 -8.152 -3.670 1.00 0.00 H new ATOM 1623 N ARG A 107 -5.060 -11.222 0.740 1.00 0.00 N ATOM 1624 CA ARG A 107 -5.091 -12.582 1.251 1.00 0.00 C ATOM 1625 C ARG A 107 -6.495 -12.930 1.749 1.00 0.00 C ATOM 1626 O ARG A 107 -6.937 -12.420 2.777 1.00 0.00 O ATOM 1627 CB ARG A 107 -4.091 -12.764 2.395 1.00 0.00 C ATOM 1628 CG ARG A 107 -2.727 -13.210 1.866 1.00 0.00 C ATOM 1629 CD ARG A 107 -1.931 -13.942 2.949 1.00 0.00 C ATOM 1630 NE ARG A 107 -1.476 -15.255 2.441 1.00 0.00 N ATOM 1631 CZ ARG A 107 -2.213 -16.374 2.485 1.00 0.00 C ATOM 1632 NH1 ARG A 107 -3.444 -16.345 3.014 1.00 0.00 N ATOM 1633 NH2 ARG A 107 -1.718 -17.521 2.001 1.00 0.00 N ATOM 0 H ARG A 107 -4.596 -10.548 1.349 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.816 -13.249 0.434 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.984 -11.827 2.942 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.471 -13.503 3.100 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -2.863 -13.864 1.005 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.165 -12.342 1.521 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -1.072 -13.342 3.250 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.549 -14.080 3.836 1.00 0.00 H new ATOM 0 HE ARG A 107 -0.543 -15.312 2.032 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -3.820 -15.472 3.383 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -4.005 -17.196 3.048 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -0.781 -17.543 1.599 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -2.278 -18.373 2.034 1.00 0.00 H new