USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=17 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 92 GLN : amide:sc= -0.849 K(o=-0.85,f=-8.7!) USER MOD Set 1.2: A 97 GLN : amide:sc=-0.000619 X(o=-0.85,f=-1) USER MOD Set 2.1: A 32 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 34 HIS : no HD1:sc= -0.589 K(o=-0.59,f=-0.0057) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc=-0.000358 X(o=-0.00036,f=0) USER MOD Single : A 26 SER OG : rot 43:sc= 1.3 USER MOD Single : A 35 SER OG : rot 180:sc= -0.786 USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 50 GLN : amide:sc= -0.0188 X(o=-0.019,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0462 USER MOD Single : A 57 THR OG1 : rot 25:sc= 0.887 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 1:sc= 1.22 USER MOD Single : A 71 THR OG1 : rot 180:sc= -2.09 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl -107:sc= -7.9! (180deg=-11.6!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -113:sc= -1.79! (180deg=-4!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 144:sc= -0.308 USER MOD Single : A 85 TYR OH : rot -41:sc= 1.26 USER MOD Single : A 86 TYR OH : rot 19:sc= -2.94 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc=-0.00697 X(o=-0.007,f=-0.0082) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 GLN : amide:sc= -0.0091 K(o=-0.0091,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 200 N LEU A 17 0.749 7.945 -3.515 1.00 0.00 N ATOM 201 CA LEU A 17 0.991 6.512 -3.519 1.00 0.00 C ATOM 202 C LEU A 17 -0.129 5.812 -4.290 1.00 0.00 C ATOM 203 O LEU A 17 -1.269 6.275 -4.294 1.00 0.00 O ATOM 204 CB LEU A 17 1.170 5.995 -2.090 1.00 0.00 C ATOM 205 CG LEU A 17 0.987 4.489 -1.894 1.00 0.00 C ATOM 206 CD1 LEU A 17 2.292 3.738 -2.165 1.00 0.00 C ATOM 207 CD2 LEU A 17 0.426 4.181 -0.504 1.00 0.00 C ATOM 0 HA LEU A 17 1.924 6.285 -4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.169 6.267 -1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.461 6.514 -1.445 1.00 0.00 H new ATOM 0 HG LEU A 17 0.256 4.136 -2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.134 2.670 -2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.610 3.920 -3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.063 4.088 -1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.306 3.104 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.114 4.551 0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.542 4.669 -0.386 1.00 0.00 H new ATOM 219 N VAL A 18 0.234 4.707 -4.926 1.00 0.00 N ATOM 220 CA VAL A 18 -0.726 3.938 -5.699 1.00 0.00 C ATOM 221 C VAL A 18 -0.603 2.458 -5.331 1.00 0.00 C ATOM 222 O VAL A 18 0.440 1.844 -5.553 1.00 0.00 O ATOM 223 CB VAL A 18 -0.525 4.201 -7.193 1.00 0.00 C ATOM 224 CG1 VAL A 18 -1.493 3.364 -8.032 1.00 0.00 C ATOM 225 CG2 VAL A 18 -0.669 5.691 -7.512 1.00 0.00 C ATOM 0 H VAL A 18 1.180 4.326 -4.921 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.744 4.248 -5.461 1.00 0.00 H new ATOM 0 HB VAL A 18 0.490 3.900 -7.453 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.329 3.570 -9.090 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.321 2.305 -7.837 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.519 3.620 -7.767 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.522 5.850 -8.580 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.666 6.029 -7.229 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.078 6.256 -6.954 1.00 0.00 H new ATOM 235 N ILE A 19 -1.682 1.928 -4.774 1.00 0.00 N ATOM 236 CA ILE A 19 -1.708 0.532 -4.373 1.00 0.00 C ATOM 237 C ILE A 19 -2.431 -0.288 -5.443 1.00 0.00 C ATOM 238 O ILE A 19 -3.607 -0.058 -5.717 1.00 0.00 O ATOM 239 CB ILE A 19 -2.312 0.388 -2.975 1.00 0.00 C ATOM 240 CG1 ILE A 19 -1.533 1.218 -1.952 1.00 0.00 C ATOM 241 CG2 ILE A 19 -2.404 -1.084 -2.567 1.00 0.00 C ATOM 242 CD1 ILE A 19 -2.001 0.913 -0.528 1.00 0.00 C ATOM 0 H ILE A 19 -2.545 2.440 -4.591 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.695 0.137 -4.300 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.329 0.780 -3.000 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.468 1.006 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.666 2.279 -2.163 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.837 -1.159 -1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.034 -1.620 -3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.407 -1.524 -2.564 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.431 1.516 0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.061 1.149 -0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.845 -0.144 -0.312 1.00 0.00 H new ATOM 254 N ARG A 20 -1.696 -1.229 -6.019 1.00 0.00 N ATOM 255 CA ARG A 20 -2.253 -2.084 -7.053 1.00 0.00 C ATOM 256 C ARG A 20 -2.675 -3.429 -6.459 1.00 0.00 C ATOM 257 O ARG A 20 -1.845 -4.319 -6.276 1.00 0.00 O ATOM 258 CB ARG A 20 -1.239 -2.325 -8.174 1.00 0.00 C ATOM 259 CG ARG A 20 -1.664 -3.502 -9.054 1.00 0.00 C ATOM 260 CD ARG A 20 -0.665 -3.724 -10.192 1.00 0.00 C ATOM 261 NE ARG A 20 -0.952 -5.005 -10.874 1.00 0.00 N ATOM 262 CZ ARG A 20 -0.166 -5.550 -11.812 1.00 0.00 C ATOM 263 NH1 ARG A 20 0.961 -4.927 -12.186 1.00 0.00 N ATOM 264 NH2 ARG A 20 -0.505 -6.716 -12.378 1.00 0.00 N ATOM 0 H ARG A 20 -0.720 -1.418 -5.789 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.124 -1.577 -7.469 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.145 -1.426 -8.783 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.257 -2.523 -7.745 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.738 -4.405 -8.449 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.655 -3.313 -9.467 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.725 -2.902 -10.905 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.351 -3.732 -9.798 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.802 -5.505 -10.614 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.219 -4.039 -11.756 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.560 -5.341 -12.900 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.363 -7.190 -12.095 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.095 -7.130 -13.092 1.00 0.00 H new ATOM 278 N ILE A 21 -3.964 -3.536 -6.174 1.00 0.00 N ATOM 279 CA ILE A 21 -4.506 -4.758 -5.604 1.00 0.00 C ATOM 280 C ILE A 21 -4.539 -5.846 -6.679 1.00 0.00 C ATOM 281 O ILE A 21 -5.205 -5.694 -7.701 1.00 0.00 O ATOM 282 CB ILE A 21 -5.867 -4.490 -4.959 1.00 0.00 C ATOM 283 CG1 ILE A 21 -5.703 -3.957 -3.534 1.00 0.00 C ATOM 284 CG2 ILE A 21 -6.751 -5.738 -5.005 1.00 0.00 C ATOM 285 CD1 ILE A 21 -5.893 -2.439 -3.491 1.00 0.00 C ATOM 0 H ILE A 21 -4.649 -2.796 -6.327 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.864 -5.121 -4.801 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.372 -3.716 -5.537 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.428 -4.437 -2.877 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.713 -4.214 -3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.712 -5.520 -4.540 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.908 -6.034 -6.042 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.263 -6.550 -4.466 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.771 -2.086 -2.467 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.151 -1.961 -4.130 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.893 -2.187 -3.845 1.00 0.00 H new ATOM 297 N LYS A 22 -3.811 -6.920 -6.411 1.00 0.00 N ATOM 298 CA LYS A 22 -3.748 -8.033 -7.342 1.00 0.00 C ATOM 299 C LYS A 22 -5.015 -8.880 -7.205 1.00 0.00 C ATOM 300 O LYS A 22 -5.103 -9.732 -6.322 1.00 0.00 O ATOM 301 CB LYS A 22 -2.454 -8.826 -7.144 1.00 0.00 C ATOM 302 CG LYS A 22 -2.492 -10.142 -7.923 1.00 0.00 C ATOM 303 CD LYS A 22 -2.398 -9.891 -9.429 1.00 0.00 C ATOM 304 CE LYS A 22 -1.090 -10.447 -9.996 1.00 0.00 C ATOM 305 NZ LYS A 22 -1.363 -11.562 -10.931 1.00 0.00 N ATOM 0 H LYS A 22 -3.260 -7.043 -5.562 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.717 -7.668 -8.369 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.604 -8.229 -7.473 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.308 -9.031 -6.084 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.668 -10.781 -7.605 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.415 -10.676 -7.697 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.245 -10.358 -9.933 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.459 -8.821 -9.628 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.545 -9.657 -10.512 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.453 -10.794 -9.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.465 -11.928 -11.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.863 -12.322 -10.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.953 -11.220 -11.716 1.00 0.00 H new ATOM 319 N ILE A 23 -5.964 -8.616 -8.090 1.00 0.00 N ATOM 320 CA ILE A 23 -7.222 -9.343 -8.079 1.00 0.00 C ATOM 321 C ILE A 23 -6.953 -10.823 -8.361 1.00 0.00 C ATOM 322 O ILE A 23 -6.088 -11.157 -9.169 1.00 0.00 O ATOM 323 CB ILE A 23 -8.220 -8.703 -9.046 1.00 0.00 C ATOM 324 CG1 ILE A 23 -8.398 -7.214 -8.744 1.00 0.00 C ATOM 325 CG2 ILE A 23 -9.553 -9.454 -9.034 1.00 0.00 C ATOM 326 CD1 ILE A 23 -9.195 -7.007 -7.455 1.00 0.00 C ATOM 0 H ILE A 23 -5.887 -7.908 -8.820 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.687 -9.285 -7.095 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.816 -8.780 -10.055 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.421 -6.739 -8.652 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.911 -6.730 -9.575 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.245 -8.979 -9.730 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.390 -10.489 -9.334 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.975 -9.430 -8.029 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.307 -5.940 -7.264 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.180 -7.462 -7.559 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.667 -7.471 -6.622 1.00 0.00 H new ATOM 338 N PRO A 24 -7.732 -11.692 -7.663 1.00 0.00 N ATOM 339 CA PRO A 24 -7.587 -13.128 -7.831 1.00 0.00 C ATOM 340 C PRO A 24 -8.199 -13.589 -9.155 1.00 0.00 C ATOM 341 O PRO A 24 -9.415 -13.540 -9.332 1.00 0.00 O ATOM 342 CB PRO A 24 -8.269 -13.737 -6.617 1.00 0.00 C ATOM 343 CG PRO A 24 -9.171 -12.649 -6.056 1.00 0.00 C ATOM 344 CD PRO A 24 -8.768 -11.332 -6.699 1.00 0.00 C ATOM 0 HA PRO A 24 -6.545 -13.442 -7.885 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.847 -14.619 -6.895 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.536 -14.057 -5.877 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.216 -12.873 -6.268 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.071 -12.591 -4.972 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.616 -10.855 -7.189 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.391 -10.628 -5.957 1.00 0.00 H new ATOM 352 N ASN A 25 -7.327 -14.027 -10.052 1.00 0.00 N ATOM 353 CA ASN A 25 -7.767 -14.498 -11.355 1.00 0.00 C ATOM 354 C ASN A 25 -8.676 -13.445 -11.992 1.00 0.00 C ATOM 355 O ASN A 25 -9.884 -13.647 -12.101 1.00 0.00 O ATOM 356 CB ASN A 25 -8.564 -15.798 -11.231 1.00 0.00 C ATOM 357 CG ASN A 25 -7.667 -17.015 -11.467 1.00 0.00 C ATOM 358 OD1 ASN A 25 -7.316 -17.353 -12.586 1.00 0.00 O ATOM 359 ND2 ASN A 25 -7.317 -17.652 -10.354 1.00 0.00 N ATOM 0 H ASN A 25 -6.319 -14.066 -9.902 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.882 -14.675 -11.966 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.014 -15.860 -10.240 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.381 -15.798 -11.953 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.719 -18.477 -10.405 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.646 -17.316 -9.449 1.00 0.00 H new ATOM 366 N SER A 26 -8.060 -12.344 -12.397 1.00 0.00 N ATOM 367 CA SER A 26 -8.798 -11.259 -13.020 1.00 0.00 C ATOM 368 C SER A 26 -7.828 -10.201 -13.550 1.00 0.00 C ATOM 369 O SER A 26 -7.252 -10.365 -14.624 1.00 0.00 O ATOM 370 CB SER A 26 -9.786 -10.628 -12.037 1.00 0.00 C ATOM 371 OG SER A 26 -11.045 -11.294 -12.044 1.00 0.00 O ATOM 0 H SER A 26 -7.057 -12.180 -12.306 1.00 0.00 H new ATOM 0 HA SER A 26 -9.368 -11.669 -13.853 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.366 -10.658 -11.032 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.930 -9.578 -12.292 1.00 0.00 H new ATOM 0 HG SER A 26 -10.902 -12.263 -12.067 1.00 0.00 H new ATOM 377 N GLY A 27 -7.676 -9.141 -12.771 1.00 0.00 N ATOM 378 CA GLY A 27 -6.785 -8.057 -13.148 1.00 0.00 C ATOM 379 C GLY A 27 -6.089 -7.466 -11.919 1.00 0.00 C ATOM 380 O GLY A 27 -5.442 -8.187 -11.161 1.00 0.00 O ATOM 0 H GLY A 27 -8.155 -9.009 -11.880 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.038 -8.424 -13.852 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.350 -7.278 -13.660 1.00 0.00 H new ATOM 384 N ALA A 28 -6.247 -6.160 -11.760 1.00 0.00 N ATOM 385 CA ALA A 28 -5.642 -5.465 -10.637 1.00 0.00 C ATOM 386 C ALA A 28 -6.114 -4.009 -10.630 1.00 0.00 C ATOM 387 O ALA A 28 -5.997 -3.310 -11.635 1.00 0.00 O ATOM 388 CB ALA A 28 -4.119 -5.583 -10.723 1.00 0.00 C ATOM 0 H ALA A 28 -6.785 -5.565 -12.390 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.951 -5.917 -9.695 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.665 -5.061 -9.880 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.833 -6.635 -10.695 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.772 -5.137 -11.655 1.00 0.00 H new ATOM 394 N VAL A 29 -6.638 -3.597 -9.485 1.00 0.00 N ATOM 395 CA VAL A 29 -7.128 -2.237 -9.334 1.00 0.00 C ATOM 396 C VAL A 29 -6.094 -1.409 -8.570 1.00 0.00 C ATOM 397 O VAL A 29 -5.386 -1.932 -7.711 1.00 0.00 O ATOM 398 CB VAL A 29 -8.502 -2.248 -8.659 1.00 0.00 C ATOM 399 CG1 VAL A 29 -8.858 -0.862 -8.117 1.00 0.00 C ATOM 400 CG2 VAL A 29 -9.580 -2.756 -9.618 1.00 0.00 C ATOM 0 H VAL A 29 -6.734 -4.180 -8.654 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.263 -1.769 -10.309 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.455 -2.935 -7.814 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.839 -0.898 -7.643 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.112 -0.555 -7.384 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.878 -0.145 -8.937 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.546 -2.754 -9.113 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.625 -2.106 -10.492 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.338 -3.771 -9.933 1.00 0.00 H new ATOM 410 N ASP A 30 -6.039 -0.129 -8.910 1.00 0.00 N ATOM 411 CA ASP A 30 -5.103 0.777 -8.267 1.00 0.00 C ATOM 412 C ASP A 30 -5.864 1.695 -7.310 1.00 0.00 C ATOM 413 O ASP A 30 -6.733 2.456 -7.733 1.00 0.00 O ATOM 414 CB ASP A 30 -4.390 1.655 -9.298 1.00 0.00 C ATOM 415 CG ASP A 30 -5.191 2.866 -9.780 1.00 0.00 C ATOM 416 OD1 ASP A 30 -6.175 2.638 -10.518 1.00 0.00 O ATOM 417 OD2 ASP A 30 -4.802 3.991 -9.401 1.00 0.00 O ATOM 0 H ASP A 30 -6.628 0.302 -9.623 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.366 0.177 -7.733 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.452 2.006 -8.867 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.134 1.041 -10.161 1.00 0.00 H new ATOM 422 N TRP A 31 -5.511 1.594 -6.037 1.00 0.00 N ATOM 423 CA TRP A 31 -6.151 2.406 -5.016 1.00 0.00 C ATOM 424 C TRP A 31 -5.363 3.711 -4.887 1.00 0.00 C ATOM 425 O TRP A 31 -4.266 3.726 -4.331 1.00 0.00 O ATOM 426 CB TRP A 31 -6.259 1.641 -3.695 1.00 0.00 C ATOM 427 CG TRP A 31 -6.560 2.528 -2.485 1.00 0.00 C ATOM 428 CD1 TRP A 31 -7.227 3.690 -2.459 1.00 0.00 C ATOM 429 CD2 TRP A 31 -6.175 2.276 -1.117 1.00 0.00 C ATOM 430 NE1 TRP A 31 -7.300 4.203 -1.180 1.00 0.00 N ATOM 431 CE2 TRP A 31 -6.640 3.315 -0.338 1.00 0.00 C ATOM 432 CE3 TRP A 31 -5.457 1.204 -0.557 1.00 0.00 C ATOM 433 CZ2 TRP A 31 -6.438 3.386 1.045 1.00 0.00 C ATOM 434 CZ3 TRP A 31 -5.265 1.290 0.827 1.00 0.00 C ATOM 435 CH2 TRP A 31 -5.726 2.329 1.625 1.00 0.00 C ATOM 0 H TRP A 31 -4.790 0.962 -5.689 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.176 2.644 -5.300 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.043 0.889 -3.785 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.325 1.108 -3.518 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -7.654 4.165 -3.330 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -7.754 5.073 -0.903 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.084 0.380 -1.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.811 4.211 1.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -4.720 0.492 1.308 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -5.536 2.322 2.688 1.00 0.00 H new ATOM 446 N THR A 32 -5.953 4.775 -5.412 1.00 0.00 N ATOM 447 CA THR A 32 -5.319 6.082 -5.363 1.00 0.00 C ATOM 448 C THR A 32 -5.180 6.554 -3.914 1.00 0.00 C ATOM 449 O THR A 32 -6.142 7.040 -3.321 1.00 0.00 O ATOM 450 CB THR A 32 -6.136 7.036 -6.236 1.00 0.00 C ATOM 451 OG1 THR A 32 -5.468 8.288 -6.102 1.00 0.00 O ATOM 452 CG2 THR A 32 -7.534 7.297 -5.670 1.00 0.00 C ATOM 0 H THR A 32 -6.863 4.759 -5.873 1.00 0.00 H new ATOM 0 HA THR A 32 -4.304 6.044 -5.758 1.00 0.00 H new ATOM 0 HB THR A 32 -6.223 6.623 -7.241 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.932 8.965 -6.638 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.071 7.980 -6.328 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.080 6.356 -5.600 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.448 7.741 -4.678 1.00 0.00 H new ATOM 460 N VAL A 33 -3.976 6.393 -3.386 1.00 0.00 N ATOM 461 CA VAL A 33 -3.699 6.796 -2.017 1.00 0.00 C ATOM 462 C VAL A 33 -2.994 8.153 -2.023 1.00 0.00 C ATOM 463 O VAL A 33 -2.262 8.473 -2.959 1.00 0.00 O ATOM 464 CB VAL A 33 -2.894 5.707 -1.304 1.00 0.00 C ATOM 465 CG1 VAL A 33 -2.467 6.167 0.091 1.00 0.00 C ATOM 466 CG2 VAL A 33 -3.685 4.399 -1.232 1.00 0.00 C ATOM 0 H VAL A 33 -3.181 5.989 -3.881 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.627 6.914 -1.458 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.992 5.521 -1.887 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.897 5.375 0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.848 7.060 0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.352 6.394 0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.090 3.642 -0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.612 4.564 -0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.917 4.058 -2.241 1.00 0.00 H new ATOM 476 N HIS A 34 -3.239 8.916 -0.968 1.00 0.00 N ATOM 477 CA HIS A 34 -2.637 10.232 -0.840 1.00 0.00 C ATOM 478 C HIS A 34 -1.828 10.302 0.457 1.00 0.00 C ATOM 479 O HIS A 34 -0.726 10.849 0.477 1.00 0.00 O ATOM 480 CB HIS A 34 -3.701 11.328 -0.935 1.00 0.00 C ATOM 481 CG HIS A 34 -4.335 11.451 -2.300 1.00 0.00 C ATOM 482 ND1 HIS A 34 -4.419 12.652 -2.982 1.00 0.00 N ATOM 483 CD2 HIS A 34 -4.913 10.512 -3.102 1.00 0.00 C ATOM 484 CE1 HIS A 34 -5.024 12.434 -4.141 1.00 0.00 C ATOM 485 NE2 HIS A 34 -5.330 11.107 -4.213 1.00 0.00 N ATOM 0 H HIS A 34 -3.846 8.648 -0.194 1.00 0.00 H new ATOM 0 HA HIS A 34 -1.948 10.403 -1.667 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.481 11.128 -0.200 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.249 12.283 -0.668 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.014 9.462 -2.872 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.237 13.177 -4.896 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -5.802 10.647 -4.992 1.00 0.00 H new ATOM 493 N SER A 35 -2.407 9.742 1.509 1.00 0.00 N ATOM 494 CA SER A 35 -1.754 9.734 2.807 1.00 0.00 C ATOM 495 C SER A 35 -0.846 8.508 2.928 1.00 0.00 C ATOM 496 O SER A 35 -0.862 7.818 3.946 1.00 0.00 O ATOM 497 CB SER A 35 -2.781 9.748 3.940 1.00 0.00 C ATOM 498 OG SER A 35 -2.973 11.056 4.471 1.00 0.00 O ATOM 0 H SER A 35 -3.321 9.290 1.489 1.00 0.00 H new ATOM 0 HA SER A 35 -1.148 10.636 2.891 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.732 9.363 3.572 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.453 9.079 4.735 1.00 0.00 H new ATOM 0 HG SER A 35 -3.637 11.023 5.191 1.00 0.00 H new ATOM 504 N GLY A 36 -0.077 8.275 1.875 1.00 0.00 N ATOM 505 CA GLY A 36 0.836 7.144 1.851 1.00 0.00 C ATOM 506 C GLY A 36 1.495 6.943 3.217 1.00 0.00 C ATOM 507 O GLY A 36 1.467 5.843 3.768 1.00 0.00 O ATOM 0 H GLY A 36 -0.067 8.850 1.032 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.295 6.241 1.568 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.603 7.307 1.094 1.00 0.00 H new ATOM 511 N PRO A 37 2.089 8.050 3.738 1.00 0.00 N ATOM 512 CA PRO A 37 2.754 8.005 5.029 1.00 0.00 C ATOM 513 C PRO A 37 1.735 7.973 6.170 1.00 0.00 C ATOM 514 O PRO A 37 1.968 7.337 7.197 1.00 0.00 O ATOM 515 CB PRO A 37 3.639 9.241 5.058 1.00 0.00 C ATOM 516 CG PRO A 37 3.092 10.171 3.989 1.00 0.00 C ATOM 517 CD PRO A 37 2.142 9.369 3.114 1.00 0.00 C ATOM 0 HA PRO A 37 3.349 7.102 5.165 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.614 9.716 6.039 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.678 8.982 4.856 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.571 11.013 4.446 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.904 10.585 3.391 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.155 9.829 3.076 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.505 9.308 2.088 1.00 0.00 H new ATOM 525 N GLN A 38 0.627 8.666 5.951 1.00 0.00 N ATOM 526 CA GLN A 38 -0.428 8.724 6.948 1.00 0.00 C ATOM 527 C GLN A 38 -1.488 7.658 6.662 1.00 0.00 C ATOM 528 O GLN A 38 -2.681 7.903 6.832 1.00 0.00 O ATOM 529 CB GLN A 38 -1.054 10.119 7.003 1.00 0.00 C ATOM 530 CG GLN A 38 -1.897 10.292 8.268 1.00 0.00 C ATOM 531 CD GLN A 38 -2.398 11.732 8.400 1.00 0.00 C ATOM 532 OE1 GLN A 38 -1.722 12.686 8.051 1.00 0.00 O ATOM 533 NE2 GLN A 38 -3.617 11.835 8.922 1.00 0.00 N ATOM 0 H GLN A 38 0.437 9.192 5.098 1.00 0.00 H new ATOM 0 HA GLN A 38 0.010 8.520 7.925 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.269 10.875 6.979 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.677 10.277 6.122 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.746 9.609 8.240 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.304 10.028 9.144 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.128 10.995 9.193 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.040 12.754 9.051 1.00 0.00 H new ATOM 542 N LEU A 39 -1.013 6.497 6.234 1.00 0.00 N ATOM 543 CA LEU A 39 -1.905 5.393 5.923 1.00 0.00 C ATOM 544 C LEU A 39 -1.813 4.342 7.030 1.00 0.00 C ATOM 545 O LEU A 39 -0.746 4.130 7.603 1.00 0.00 O ATOM 546 CB LEU A 39 -1.609 4.842 4.526 1.00 0.00 C ATOM 547 CG LEU A 39 -2.544 3.738 4.029 1.00 0.00 C ATOM 548 CD1 LEU A 39 -3.930 4.298 3.702 1.00 0.00 C ATOM 549 CD2 LEU A 39 -1.931 2.994 2.840 1.00 0.00 C ATOM 0 H LEU A 39 -0.022 6.297 6.095 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.939 5.736 5.893 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.645 5.668 3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.589 4.458 4.517 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.672 3.012 4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.575 3.492 3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.362 4.745 4.597 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.842 5.057 2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.616 2.215 2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.754 3.695 2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.986 2.542 3.142 1.00 0.00 H new ATOM 561 N LEU A 40 -2.947 3.711 7.299 1.00 0.00 N ATOM 562 CA LEU A 40 -3.008 2.687 8.328 1.00 0.00 C ATOM 563 C LEU A 40 -3.376 1.347 7.687 1.00 0.00 C ATOM 564 O LEU A 40 -3.852 1.307 6.554 1.00 0.00 O ATOM 565 CB LEU A 40 -3.956 3.112 9.451 1.00 0.00 C ATOM 566 CG LEU A 40 -3.496 4.294 10.307 1.00 0.00 C ATOM 567 CD1 LEU A 40 -4.627 4.791 11.209 1.00 0.00 C ATOM 568 CD2 LEU A 40 -2.241 3.936 11.105 1.00 0.00 C ATOM 0 H LEU A 40 -3.831 3.889 6.822 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.032 2.559 8.797 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.921 3.363 9.010 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.118 2.256 10.106 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.231 5.116 9.642 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.273 5.631 11.807 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.468 5.111 10.595 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.946 3.985 11.870 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.935 4.793 11.705 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.455 3.092 11.761 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.438 3.668 10.419 1.00 0.00 H new ATOM 580 N PHE A 41 -3.140 0.283 8.440 1.00 0.00 N ATOM 581 CA PHE A 41 -3.440 -1.055 7.959 1.00 0.00 C ATOM 582 C PHE A 41 -4.937 -1.217 7.687 1.00 0.00 C ATOM 583 O PHE A 41 -5.333 -1.622 6.595 1.00 0.00 O ATOM 584 CB PHE A 41 -3.026 -2.030 9.063 1.00 0.00 C ATOM 585 CG PHE A 41 -3.210 -3.503 8.693 1.00 0.00 C ATOM 586 CD1 PHE A 41 -2.579 -4.014 7.602 1.00 0.00 C ATOM 587 CD2 PHE A 41 -4.003 -4.302 9.455 1.00 0.00 C ATOM 588 CE1 PHE A 41 -2.749 -5.381 7.258 1.00 0.00 C ATOM 589 CE2 PHE A 41 -4.174 -5.670 9.111 1.00 0.00 C ATOM 590 CZ PHE A 41 -3.543 -6.180 8.020 1.00 0.00 C ATOM 0 H PHE A 41 -2.745 0.320 9.380 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.906 -1.244 7.028 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.979 -1.857 9.313 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.607 -1.816 9.960 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.948 -3.380 6.997 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.503 -3.897 10.322 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.248 -5.786 6.391 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.805 -6.304 9.716 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.672 -7.220 7.758 1.00 0.00 H new ATOM 600 N ARG A 42 -5.729 -0.893 8.699 1.00 0.00 N ATOM 601 CA ARG A 42 -7.173 -0.997 8.583 1.00 0.00 C ATOM 602 C ARG A 42 -7.651 -0.333 7.290 1.00 0.00 C ATOM 603 O ARG A 42 -8.393 -0.935 6.516 1.00 0.00 O ATOM 604 CB ARG A 42 -7.871 -0.338 9.775 1.00 0.00 C ATOM 605 CG ARG A 42 -7.351 -0.907 11.097 1.00 0.00 C ATOM 606 CD ARG A 42 -7.371 -2.436 11.082 1.00 0.00 C ATOM 607 NE ARG A 42 -8.724 -2.921 10.729 1.00 0.00 N ATOM 608 CZ ARG A 42 -9.086 -4.211 10.739 1.00 0.00 C ATOM 609 NH1 ARG A 42 -8.198 -5.154 11.083 1.00 0.00 N ATOM 610 NH2 ARG A 42 -10.336 -4.559 10.404 1.00 0.00 N ATOM 0 H ARG A 42 -5.397 -0.558 9.603 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.429 -2.057 8.568 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.705 0.739 9.748 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.947 -0.497 9.705 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.335 -0.555 11.274 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.963 -0.540 11.921 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.642 -2.810 10.363 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.081 -2.821 12.060 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.425 -2.230 10.461 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.246 -4.890 11.337 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.474 -6.136 11.091 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.012 -3.842 10.141 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.611 -5.541 10.412 1.00 0.00 H new ATOM 624 N ASP A 43 -7.206 0.900 7.096 1.00 0.00 N ATOM 625 CA ASP A 43 -7.579 1.653 5.911 1.00 0.00 C ATOM 626 C ASP A 43 -7.529 0.731 4.691 1.00 0.00 C ATOM 627 O ASP A 43 -8.489 0.656 3.926 1.00 0.00 O ATOM 628 CB ASP A 43 -6.610 2.812 5.667 1.00 0.00 C ATOM 629 CG ASP A 43 -6.936 4.097 6.430 1.00 0.00 C ATOM 630 OD1 ASP A 43 -7.589 3.979 7.489 1.00 0.00 O ATOM 631 OD2 ASP A 43 -6.524 5.170 5.937 1.00 0.00 O ATOM 0 H ASP A 43 -6.590 1.396 7.740 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.583 2.049 6.065 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.605 2.490 5.940 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.594 3.035 4.600 1.00 0.00 H new ATOM 636 N VAL A 44 -6.400 0.053 4.546 1.00 0.00 N ATOM 637 CA VAL A 44 -6.213 -0.861 3.432 1.00 0.00 C ATOM 638 C VAL A 44 -7.359 -1.874 3.411 1.00 0.00 C ATOM 639 O VAL A 44 -7.975 -2.099 2.371 1.00 0.00 O ATOM 640 CB VAL A 44 -4.834 -1.519 3.521 1.00 0.00 C ATOM 641 CG1 VAL A 44 -4.616 -2.493 2.361 1.00 0.00 C ATOM 642 CG2 VAL A 44 -3.726 -0.465 3.568 1.00 0.00 C ATOM 0 H VAL A 44 -5.605 0.118 5.182 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.240 -0.321 2.486 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.793 -2.089 4.449 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.629 -2.947 2.448 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.378 -3.272 2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.686 -1.955 1.416 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.756 -0.959 3.631 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.765 0.144 2.665 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.866 0.172 4.442 1.00 0.00 H new ATOM 652 N LEU A 45 -7.610 -2.460 4.573 1.00 0.00 N ATOM 653 CA LEU A 45 -8.671 -3.444 4.701 1.00 0.00 C ATOM 654 C LEU A 45 -10.018 -2.774 4.425 1.00 0.00 C ATOM 655 O LEU A 45 -10.937 -3.409 3.910 1.00 0.00 O ATOM 656 CB LEU A 45 -8.597 -4.138 6.063 1.00 0.00 C ATOM 657 CG LEU A 45 -7.386 -5.046 6.288 1.00 0.00 C ATOM 658 CD1 LEU A 45 -7.009 -5.786 5.004 1.00 0.00 C ATOM 659 CD2 LEU A 45 -6.208 -4.256 6.861 1.00 0.00 C ATOM 0 H LEU A 45 -7.097 -2.272 5.434 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.549 -4.234 3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.602 -3.373 6.839 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.501 -4.732 6.196 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.658 -5.801 7.026 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.146 -6.424 5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.849 -6.399 4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.763 -5.063 4.226 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.360 -4.925 7.012 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.927 -3.465 6.165 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.496 -3.814 7.815 1.00 0.00 H new ATOM 671 N ASP A 46 -10.093 -1.500 4.779 1.00 0.00 N ATOM 672 CA ASP A 46 -11.313 -0.737 4.576 1.00 0.00 C ATOM 673 C ASP A 46 -11.505 -0.479 3.080 1.00 0.00 C ATOM 674 O ASP A 46 -12.630 -0.305 2.616 1.00 0.00 O ATOM 675 CB ASP A 46 -11.240 0.617 5.284 1.00 0.00 C ATOM 676 CG ASP A 46 -11.837 0.644 6.693 1.00 0.00 C ATOM 677 OD1 ASP A 46 -12.895 0.003 6.873 1.00 0.00 O ATOM 678 OD2 ASP A 46 -11.221 1.304 7.557 1.00 0.00 O ATOM 0 H ASP A 46 -9.329 -0.976 5.205 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.143 -1.313 4.985 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.196 0.924 5.342 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.756 1.358 4.673 1.00 0.00 H new ATOM 683 N VAL A 47 -10.388 -0.461 2.368 1.00 0.00 N ATOM 684 CA VAL A 47 -10.418 -0.227 0.934 1.00 0.00 C ATOM 685 C VAL A 47 -10.651 -1.554 0.210 1.00 0.00 C ATOM 686 O VAL A 47 -11.624 -1.700 -0.529 1.00 0.00 O ATOM 687 CB VAL A 47 -9.135 0.479 0.491 1.00 0.00 C ATOM 688 CG1 VAL A 47 -8.999 0.465 -1.033 1.00 0.00 C ATOM 689 CG2 VAL A 47 -9.080 1.909 1.033 1.00 0.00 C ATOM 0 H VAL A 47 -9.456 -0.605 2.757 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.243 0.435 0.673 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.291 -0.070 0.908 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.079 0.973 -1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.970 -0.566 -1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.851 0.978 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.158 2.388 0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.935 2.473 0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.108 1.887 2.122 1.00 0.00 H new ATOM 699 N ILE A 48 -9.742 -2.488 0.446 1.00 0.00 N ATOM 700 CA ILE A 48 -9.835 -3.798 -0.175 1.00 0.00 C ATOM 701 C ILE A 48 -11.281 -4.294 -0.094 1.00 0.00 C ATOM 702 O ILE A 48 -11.799 -4.865 -1.052 1.00 0.00 O ATOM 703 CB ILE A 48 -8.820 -4.760 0.447 1.00 0.00 C ATOM 704 CG1 ILE A 48 -7.412 -4.489 -0.085 1.00 0.00 C ATOM 705 CG2 ILE A 48 -9.243 -6.215 0.235 1.00 0.00 C ATOM 706 CD1 ILE A 48 -6.376 -5.351 0.639 1.00 0.00 C ATOM 0 H ILE A 48 -8.937 -2.363 1.059 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.576 -3.737 -1.232 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.797 -4.585 1.523 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.378 -4.695 -1.155 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.167 -3.435 0.044 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.505 -6.878 0.686 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -10.214 -6.383 0.700 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -9.312 -6.422 -0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.384 -5.138 0.241 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.396 -5.125 1.705 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.609 -6.405 0.487 1.00 0.00 H new ATOM 718 N GLY A 49 -11.890 -4.056 1.058 1.00 0.00 N ATOM 719 CA GLY A 49 -13.266 -4.471 1.277 1.00 0.00 C ATOM 720 C GLY A 49 -14.160 -4.040 0.113 1.00 0.00 C ATOM 721 O GLY A 49 -15.135 -4.716 -0.209 1.00 0.00 O ATOM 0 H GLY A 49 -11.456 -3.581 1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.309 -5.554 1.392 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.637 -4.037 2.205 1.00 0.00 H new ATOM 725 N GLN A 50 -13.796 -2.915 -0.486 1.00 0.00 N ATOM 726 CA GLN A 50 -14.553 -2.385 -1.608 1.00 0.00 C ATOM 727 C GLN A 50 -14.179 -3.121 -2.896 1.00 0.00 C ATOM 728 O GLN A 50 -15.007 -3.270 -3.793 1.00 0.00 O ATOM 729 CB GLN A 50 -14.334 -0.878 -1.754 1.00 0.00 C ATOM 730 CG GLN A 50 -14.697 -0.144 -0.462 1.00 0.00 C ATOM 731 CD GLN A 50 -15.691 0.987 -0.735 1.00 0.00 C ATOM 732 OE1 GLN A 50 -16.840 0.768 -1.082 1.00 0.00 O ATOM 733 NE2 GLN A 50 -15.186 2.205 -0.561 1.00 0.00 N ATOM 0 H GLN A 50 -12.987 -2.356 -0.215 1.00 0.00 H new ATOM 0 HA GLN A 50 -15.613 -2.548 -1.415 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -13.292 -0.681 -2.008 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -14.940 -0.497 -2.576 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -15.127 -0.847 0.251 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -13.795 0.262 -0.005 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.215 2.318 -0.269 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.770 3.026 -0.719 1.00 0.00 H new ATOM 742 N VAL A 51 -12.930 -3.563 -2.946 1.00 0.00 N ATOM 743 CA VAL A 51 -12.437 -4.279 -4.110 1.00 0.00 C ATOM 744 C VAL A 51 -12.931 -5.726 -4.060 1.00 0.00 C ATOM 745 O VAL A 51 -13.377 -6.269 -5.070 1.00 0.00 O ATOM 746 CB VAL A 51 -10.912 -4.171 -4.183 1.00 0.00 C ATOM 747 CG1 VAL A 51 -10.382 -4.773 -5.486 1.00 0.00 C ATOM 748 CG2 VAL A 51 -10.458 -2.718 -4.026 1.00 0.00 C ATOM 0 H VAL A 51 -12.246 -3.439 -2.200 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.826 -3.834 -5.026 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.495 -4.744 -3.355 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.296 -4.683 -5.513 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.661 -5.825 -5.540 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.811 -4.240 -6.334 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.371 -2.669 -4.081 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.890 -2.114 -4.824 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.790 -2.335 -3.061 1.00 0.00 H new ATOM 758 N LEU A 52 -12.836 -6.310 -2.874 1.00 0.00 N ATOM 759 CA LEU A 52 -13.268 -7.683 -2.679 1.00 0.00 C ATOM 760 C LEU A 52 -14.362 -7.723 -1.610 1.00 0.00 C ATOM 761 O LEU A 52 -14.100 -8.082 -0.463 1.00 0.00 O ATOM 762 CB LEU A 52 -12.070 -8.583 -2.367 1.00 0.00 C ATOM 763 CG LEU A 52 -11.172 -8.939 -3.554 1.00 0.00 C ATOM 764 CD1 LEU A 52 -10.284 -7.755 -3.943 1.00 0.00 C ATOM 765 CD2 LEU A 52 -10.353 -10.198 -3.263 1.00 0.00 C ATOM 0 H LEU A 52 -12.466 -5.857 -2.039 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.704 -8.078 -3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.459 -8.092 -1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.441 -9.509 -1.927 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.809 -9.160 -4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.656 -8.034 -4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.910 -6.907 -4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.653 -7.480 -3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.723 -10.429 -4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.725 -10.029 -2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.026 -11.034 -3.071 1.00 0.00 H new ATOM 777 N PRO A 53 -15.595 -7.338 -2.035 1.00 0.00 N ATOM 778 CA PRO A 53 -16.729 -7.326 -1.127 1.00 0.00 C ATOM 779 C PRO A 53 -17.228 -8.747 -0.853 1.00 0.00 C ATOM 780 O PRO A 53 -17.909 -8.989 0.142 1.00 0.00 O ATOM 781 CB PRO A 53 -17.770 -6.453 -1.808 1.00 0.00 C ATOM 782 CG PRO A 53 -17.366 -6.388 -3.272 1.00 0.00 C ATOM 783 CD PRO A 53 -15.942 -6.907 -3.386 1.00 0.00 C ATOM 0 HA PRO A 53 -16.476 -6.928 -0.144 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -18.768 -6.877 -1.697 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.795 -5.457 -1.365 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -18.041 -6.989 -3.881 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -17.430 -5.364 -3.641 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.877 -7.733 -4.094 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -15.265 -6.130 -3.740 1.00 0.00 H new ATOM 791 N GLU A 54 -16.869 -9.649 -1.754 1.00 0.00 N ATOM 792 CA GLU A 54 -17.272 -11.039 -1.623 1.00 0.00 C ATOM 793 C GLU A 54 -16.128 -11.870 -1.036 1.00 0.00 C ATOM 794 O GLU A 54 -16.320 -13.030 -0.677 1.00 0.00 O ATOM 795 CB GLU A 54 -17.728 -11.608 -2.968 1.00 0.00 C ATOM 796 CG GLU A 54 -17.497 -13.119 -3.031 1.00 0.00 C ATOM 797 CD GLU A 54 -18.367 -13.850 -2.006 1.00 0.00 C ATOM 798 OE1 GLU A 54 -19.296 -13.198 -1.483 1.00 0.00 O ATOM 799 OE2 GLU A 54 -18.082 -15.043 -1.768 1.00 0.00 O ATOM 0 H GLU A 54 -16.303 -9.445 -2.578 1.00 0.00 H new ATOM 0 HA GLU A 54 -18.120 -11.088 -0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -18.786 -11.392 -3.119 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -17.184 -11.119 -3.777 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -17.725 -13.484 -4.033 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -16.446 -13.338 -2.843 1.00 0.00 H new ATOM 806 N ALA A 55 -14.964 -11.242 -0.956 1.00 0.00 N ATOM 807 CA ALA A 55 -13.790 -11.908 -0.418 1.00 0.00 C ATOM 808 C ALA A 55 -13.057 -10.956 0.528 1.00 0.00 C ATOM 809 O ALA A 55 -12.139 -10.249 0.114 1.00 0.00 O ATOM 810 CB ALA A 55 -12.902 -12.385 -1.569 1.00 0.00 C ATOM 0 H ALA A 55 -14.809 -10.279 -1.255 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.078 -12.787 0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.021 -12.885 -1.166 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.460 -13.082 -2.194 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.591 -11.529 -2.168 1.00 0.00 H new ATOM 816 N THR A 56 -13.489 -10.967 1.780 1.00 0.00 N ATOM 817 CA THR A 56 -12.885 -10.113 2.788 1.00 0.00 C ATOM 818 C THR A 56 -11.365 -10.286 2.793 1.00 0.00 C ATOM 819 O THR A 56 -10.822 -11.053 2.000 1.00 0.00 O ATOM 820 CB THR A 56 -13.538 -10.435 4.134 1.00 0.00 C ATOM 821 OG1 THR A 56 -13.353 -9.250 4.903 1.00 0.00 O ATOM 822 CG2 THR A 56 -12.774 -11.508 4.913 1.00 0.00 C ATOM 0 H THR A 56 -14.251 -11.554 2.120 1.00 0.00 H new ATOM 0 HA THR A 56 -13.060 -9.059 2.570 1.00 0.00 H new ATOM 0 HB THR A 56 -14.563 -10.766 3.970 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.749 -9.371 5.791 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.279 -11.699 5.860 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.740 -12.427 4.328 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.758 -11.163 5.107 1.00 0.00 H new ATOM 830 N THR A 57 -10.722 -9.561 3.696 1.00 0.00 N ATOM 831 CA THR A 57 -9.275 -9.625 3.815 1.00 0.00 C ATOM 832 C THR A 57 -8.810 -8.886 5.071 1.00 0.00 C ATOM 833 O THR A 57 -9.228 -7.757 5.322 1.00 0.00 O ATOM 834 CB THR A 57 -8.670 -9.070 2.524 1.00 0.00 C ATOM 835 OG1 THR A 57 -8.604 -10.199 1.658 1.00 0.00 O ATOM 836 CG2 THR A 57 -7.209 -8.648 2.696 1.00 0.00 C ATOM 0 H THR A 57 -11.176 -8.926 4.352 1.00 0.00 H new ATOM 0 HA THR A 57 -8.933 -10.653 3.936 1.00 0.00 H new ATOM 0 HB THR A 57 -9.258 -8.216 2.186 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.279 -10.857 1.926 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.828 -8.262 1.751 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.142 -7.872 3.459 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.615 -9.509 3.002 1.00 0.00 H new ATOM 844 N THR A 58 -7.950 -9.553 5.827 1.00 0.00 N ATOM 845 CA THR A 58 -7.424 -8.974 7.051 1.00 0.00 C ATOM 846 C THR A 58 -5.896 -8.909 6.996 1.00 0.00 C ATOM 847 O THR A 58 -5.241 -8.730 8.022 1.00 0.00 O ATOM 848 CB THR A 58 -7.955 -9.793 8.229 1.00 0.00 C ATOM 849 OG1 THR A 58 -7.749 -11.146 7.831 1.00 0.00 O ATOM 850 CG2 THR A 58 -9.472 -9.678 8.386 1.00 0.00 C ATOM 0 H THR A 58 -7.605 -10.489 5.615 1.00 0.00 H new ATOM 0 HA THR A 58 -7.758 -7.944 7.176 1.00 0.00 H new ATOM 0 HB THR A 58 -7.469 -9.464 9.148 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.064 -11.747 8.538 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.796 -10.278 9.236 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.742 -8.635 8.554 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.960 -10.038 7.480 1.00 0.00 H new ATOM 858 N ALA A 59 -5.373 -9.057 5.788 1.00 0.00 N ATOM 859 CA ALA A 59 -3.934 -9.017 5.586 1.00 0.00 C ATOM 860 C ALA A 59 -3.629 -9.168 4.094 1.00 0.00 C ATOM 861 O ALA A 59 -4.456 -9.671 3.335 1.00 0.00 O ATOM 862 CB ALA A 59 -3.270 -10.107 6.429 1.00 0.00 C ATOM 0 H ALA A 59 -5.919 -9.205 4.939 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.527 -8.060 5.911 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.191 -10.077 6.278 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.493 -9.939 7.483 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.652 -11.083 6.128 1.00 0.00 H new ATOM 868 N PHE A 60 -2.440 -8.721 3.718 1.00 0.00 N ATOM 869 CA PHE A 60 -2.015 -8.800 2.331 1.00 0.00 C ATOM 870 C PHE A 60 -0.491 -8.882 2.227 1.00 0.00 C ATOM 871 O PHE A 60 0.216 -8.614 3.198 1.00 0.00 O ATOM 872 CB PHE A 60 -2.493 -7.519 1.644 1.00 0.00 C ATOM 873 CG PHE A 60 -2.183 -6.241 2.425 1.00 0.00 C ATOM 874 CD1 PHE A 60 -2.929 -5.912 3.514 1.00 0.00 C ATOM 875 CD2 PHE A 60 -1.162 -5.433 2.032 1.00 0.00 C ATOM 876 CE1 PHE A 60 -2.641 -4.726 4.240 1.00 0.00 C ATOM 877 CE2 PHE A 60 -0.874 -4.247 2.757 1.00 0.00 C ATOM 878 CZ PHE A 60 -1.620 -3.918 3.846 1.00 0.00 C ATOM 0 H PHE A 60 -1.757 -8.303 4.350 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.432 -9.693 1.865 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.030 -7.452 0.660 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.570 -7.584 1.486 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.740 -6.553 3.826 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.570 -5.694 1.167 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.233 -4.465 5.105 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.063 -3.606 2.444 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.402 -3.016 4.398 1.00 0.00 H new ATOM 888 N GLU A 61 -0.029 -9.254 1.043 1.00 0.00 N ATOM 889 CA GLU A 61 1.399 -9.375 0.800 1.00 0.00 C ATOM 890 C GLU A 61 1.854 -8.330 -0.221 1.00 0.00 C ATOM 891 O GLU A 61 1.045 -7.816 -0.992 1.00 0.00 O ATOM 892 CB GLU A 61 1.758 -10.787 0.336 1.00 0.00 C ATOM 893 CG GLU A 61 1.500 -11.811 1.443 1.00 0.00 C ATOM 894 CD GLU A 61 2.357 -13.062 1.244 1.00 0.00 C ATOM 895 OE1 GLU A 61 3.519 -13.034 1.706 1.00 0.00 O ATOM 896 OE2 GLU A 61 1.832 -14.019 0.635 1.00 0.00 O ATOM 0 H GLU A 61 -0.618 -9.476 0.241 1.00 0.00 H new ATOM 0 HA GLU A 61 1.924 -9.192 1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.171 -11.044 -0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.807 -10.821 0.042 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.720 -11.366 2.413 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.445 -12.086 1.450 1.00 0.00 H new ATOM 903 N TYR A 62 3.148 -8.046 -0.192 1.00 0.00 N ATOM 904 CA TYR A 62 3.720 -7.071 -1.106 1.00 0.00 C ATOM 905 C TYR A 62 5.179 -7.407 -1.421 1.00 0.00 C ATOM 906 O TYR A 62 5.978 -7.635 -0.513 1.00 0.00 O ATOM 907 CB TYR A 62 3.664 -5.727 -0.377 1.00 0.00 C ATOM 908 CG TYR A 62 4.885 -5.443 0.500 1.00 0.00 C ATOM 909 CD1 TYR A 62 6.082 -5.075 -0.081 1.00 0.00 C ATOM 910 CD2 TYR A 62 4.790 -5.555 1.872 1.00 0.00 C ATOM 911 CE1 TYR A 62 7.231 -4.808 0.745 1.00 0.00 C ATOM 912 CE2 TYR A 62 5.939 -5.288 2.698 1.00 0.00 C ATOM 913 CZ TYR A 62 7.103 -4.928 2.094 1.00 0.00 C ATOM 914 OH TYR A 62 8.188 -4.676 2.873 1.00 0.00 O ATOM 0 H TYR A 62 3.816 -8.473 0.449 1.00 0.00 H new ATOM 0 HA TYR A 62 3.172 -7.059 -2.048 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.565 -4.930 -1.114 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.769 -5.699 0.244 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.157 -4.987 -1.155 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.854 -5.843 2.327 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.173 -4.519 0.303 1.00 0.00 H new ATOM 0 HE2 TYR A 62 5.878 -5.372 3.773 1.00 0.00 H new ATOM 0 HH TYR A 62 8.944 -4.415 2.307 1.00 0.00 H new ATOM 924 N GLU A 63 5.484 -7.426 -2.710 1.00 0.00 N ATOM 925 CA GLU A 63 6.833 -7.729 -3.157 1.00 0.00 C ATOM 926 C GLU A 63 7.811 -6.667 -2.651 1.00 0.00 C ATOM 927 O GLU A 63 7.588 -5.472 -2.840 1.00 0.00 O ATOM 928 CB GLU A 63 6.892 -7.848 -4.681 1.00 0.00 C ATOM 929 CG GLU A 63 6.487 -9.250 -5.138 1.00 0.00 C ATOM 930 CD GLU A 63 5.413 -9.184 -6.226 1.00 0.00 C ATOM 931 OE1 GLU A 63 4.560 -8.276 -6.126 1.00 0.00 O ATOM 932 OE2 GLU A 63 5.470 -10.043 -7.132 1.00 0.00 O ATOM 0 H GLU A 63 4.819 -7.236 -3.460 1.00 0.00 H new ATOM 0 HA GLU A 63 7.126 -8.692 -2.739 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.230 -7.109 -5.133 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.901 -7.626 -5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.361 -9.779 -5.517 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.113 -9.820 -4.287 1.00 0.00 H new ATOM 939 N ASP A 64 8.873 -7.141 -2.017 1.00 0.00 N ATOM 940 CA ASP A 64 9.886 -6.247 -1.482 1.00 0.00 C ATOM 941 C ASP A 64 11.011 -6.086 -2.507 1.00 0.00 C ATOM 942 O ASP A 64 10.784 -6.217 -3.709 1.00 0.00 O ATOM 943 CB ASP A 64 10.495 -6.810 -0.197 1.00 0.00 C ATOM 944 CG ASP A 64 10.952 -5.759 0.817 1.00 0.00 C ATOM 945 OD1 ASP A 64 10.078 -4.988 1.269 1.00 0.00 O ATOM 946 OD2 ASP A 64 12.165 -5.750 1.117 1.00 0.00 O ATOM 0 H ASP A 64 9.054 -8.133 -1.862 1.00 0.00 H new ATOM 0 HA ASP A 64 9.411 -5.290 -1.267 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.761 -7.459 0.281 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.349 -7.434 -0.461 1.00 0.00 H new ATOM 951 N GLU A 65 12.200 -5.805 -1.994 1.00 0.00 N ATOM 952 CA GLU A 65 13.360 -5.625 -2.850 1.00 0.00 C ATOM 953 C GLU A 65 13.795 -6.967 -3.443 1.00 0.00 C ATOM 954 O GLU A 65 14.164 -7.042 -4.614 1.00 0.00 O ATOM 955 CB GLU A 65 14.509 -4.966 -2.084 1.00 0.00 C ATOM 956 CG GLU A 65 15.160 -5.954 -1.114 1.00 0.00 C ATOM 957 CD GLU A 65 16.208 -5.258 -0.243 1.00 0.00 C ATOM 958 OE1 GLU A 65 17.212 -4.793 -0.826 1.00 0.00 O ATOM 959 OE2 GLU A 65 15.981 -5.206 0.985 1.00 0.00 O ATOM 0 H GLU A 65 12.385 -5.698 -0.997 1.00 0.00 H new ATOM 0 HA GLU A 65 13.084 -4.960 -3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.255 -4.597 -2.788 1.00 0.00 H new ATOM 0 HB3 GLU A 65 14.136 -4.103 -1.533 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.396 -6.404 -0.480 1.00 0.00 H new ATOM 0 HG3 GLU A 65 15.627 -6.764 -1.674 1.00 0.00 H new ATOM 966 N ASP A 66 13.738 -7.994 -2.608 1.00 0.00 N ATOM 967 CA ASP A 66 14.121 -9.329 -3.035 1.00 0.00 C ATOM 968 C ASP A 66 12.880 -10.080 -3.521 1.00 0.00 C ATOM 969 O ASP A 66 12.897 -11.304 -3.635 1.00 0.00 O ATOM 970 CB ASP A 66 14.732 -10.123 -1.878 1.00 0.00 C ATOM 971 CG ASP A 66 16.250 -10.302 -1.947 1.00 0.00 C ATOM 972 OD1 ASP A 66 16.941 -9.263 -2.027 1.00 0.00 O ATOM 973 OD2 ASP A 66 16.685 -11.473 -1.919 1.00 0.00 O ATOM 0 H ASP A 66 13.432 -7.928 -1.637 1.00 0.00 H new ATOM 0 HA ASP A 66 14.857 -9.230 -3.833 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.482 -9.623 -0.942 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.266 -11.108 -1.847 1.00 0.00 H new ATOM 978 N GLY A 67 11.834 -9.315 -3.794 1.00 0.00 N ATOM 979 CA GLY A 67 10.587 -9.893 -4.265 1.00 0.00 C ATOM 980 C GLY A 67 10.306 -11.229 -3.575 1.00 0.00 C ATOM 981 O GLY A 67 10.142 -12.252 -4.238 1.00 0.00 O ATOM 0 H GLY A 67 11.824 -8.300 -3.698 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.767 -9.201 -4.074 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.635 -10.040 -5.344 1.00 0.00 H new ATOM 985 N ASP A 68 10.261 -11.177 -2.252 1.00 0.00 N ATOM 986 CA ASP A 68 10.003 -12.371 -1.464 1.00 0.00 C ATOM 987 C ASP A 68 8.551 -12.356 -0.982 1.00 0.00 C ATOM 988 O ASP A 68 8.134 -13.233 -0.228 1.00 0.00 O ATOM 989 CB ASP A 68 10.909 -12.424 -0.233 1.00 0.00 C ATOM 990 CG ASP A 68 10.991 -13.790 0.452 1.00 0.00 C ATOM 991 OD1 ASP A 68 11.283 -14.769 -0.269 1.00 0.00 O ATOM 992 OD2 ASP A 68 10.759 -13.825 1.679 1.00 0.00 O ATOM 0 H ASP A 68 10.399 -10.327 -1.705 1.00 0.00 H new ATOM 0 HA ASP A 68 10.198 -13.239 -2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.914 -12.121 -0.527 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.554 -11.692 0.492 1.00 0.00 H new ATOM 997 N ARG A 69 7.821 -11.349 -1.438 1.00 0.00 N ATOM 998 CA ARG A 69 6.424 -11.208 -1.063 1.00 0.00 C ATOM 999 C ARG A 69 6.281 -11.208 0.460 1.00 0.00 C ATOM 1000 O ARG A 69 6.280 -12.267 1.087 1.00 0.00 O ATOM 1001 CB ARG A 69 5.579 -12.341 -1.648 1.00 0.00 C ATOM 1002 CG ARG A 69 5.468 -12.213 -3.169 1.00 0.00 C ATOM 1003 CD ARG A 69 4.220 -11.420 -3.562 1.00 0.00 C ATOM 1004 NE ARG A 69 3.857 -11.712 -4.967 1.00 0.00 N ATOM 1005 CZ ARG A 69 3.267 -12.846 -5.370 1.00 0.00 C ATOM 1006 NH1 ARG A 69 2.971 -13.801 -4.478 1.00 0.00 N ATOM 1007 NH2 ARG A 69 2.974 -13.025 -6.665 1.00 0.00 N ATOM 0 H ARG A 69 8.170 -10.623 -2.064 1.00 0.00 H new ATOM 0 HA ARG A 69 6.067 -10.260 -1.465 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.025 -13.302 -1.392 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.584 -12.324 -1.204 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.356 -11.718 -3.562 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.430 -13.205 -3.619 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.392 -11.679 -2.902 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.404 -10.353 -3.439 1.00 0.00 H new ATOM 0 HE ARG A 69 4.069 -11.006 -5.672 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.195 -13.665 -3.492 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.522 -14.664 -4.785 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.200 -12.298 -7.344 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.525 -13.888 -6.972 1.00 0.00 H new ATOM 1021 N ILE A 70 6.163 -10.010 1.012 1.00 0.00 N ATOM 1022 CA ILE A 70 6.020 -9.858 2.450 1.00 0.00 C ATOM 1023 C ILE A 70 4.553 -10.059 2.836 1.00 0.00 C ATOM 1024 O ILE A 70 3.710 -10.312 1.976 1.00 0.00 O ATOM 1025 CB ILE A 70 6.598 -8.518 2.908 1.00 0.00 C ATOM 1026 CG1 ILE A 70 7.816 -8.130 2.067 1.00 0.00 C ATOM 1027 CG2 ILE A 70 6.919 -8.542 4.404 1.00 0.00 C ATOM 1028 CD1 ILE A 70 8.827 -9.276 2.004 1.00 0.00 C ATOM 0 H ILE A 70 6.163 -9.134 0.489 1.00 0.00 H new ATOM 0 HA ILE A 70 6.596 -10.622 2.973 1.00 0.00 H new ATOM 0 HB ILE A 70 5.841 -7.749 2.753 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.497 -7.866 1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.290 -7.246 2.493 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.329 -7.577 4.704 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.008 -8.741 4.968 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.650 -9.325 4.607 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.683 -8.974 1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.162 -9.521 3.012 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.357 -10.151 1.555 1.00 0.00 H new ATOM 1040 N THR A 71 4.293 -9.939 4.129 1.00 0.00 N ATOM 1041 CA THR A 71 2.942 -10.105 4.639 1.00 0.00 C ATOM 1042 C THR A 71 2.621 -9.012 5.661 1.00 0.00 C ATOM 1043 O THR A 71 3.291 -8.899 6.686 1.00 0.00 O ATOM 1044 CB THR A 71 2.821 -11.521 5.205 1.00 0.00 C ATOM 1045 OG1 THR A 71 2.811 -12.356 4.051 1.00 0.00 O ATOM 1046 CG2 THR A 71 1.462 -11.775 5.861 1.00 0.00 C ATOM 0 H THR A 71 4.994 -9.729 4.839 1.00 0.00 H new ATOM 0 HA THR A 71 2.203 -9.993 3.846 1.00 0.00 H new ATOM 0 HB THR A 71 3.613 -11.689 5.935 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.737 -13.294 4.326 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.429 -12.794 6.246 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.317 -11.072 6.681 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.671 -11.640 5.123 1.00 0.00 H new ATOM 1054 N VAL A 72 1.594 -8.236 5.346 1.00 0.00 N ATOM 1055 CA VAL A 72 1.175 -7.156 6.224 1.00 0.00 C ATOM 1056 C VAL A 72 -0.025 -7.616 7.054 1.00 0.00 C ATOM 1057 O VAL A 72 -1.131 -7.747 6.533 1.00 0.00 O ATOM 1058 CB VAL A 72 0.888 -5.897 5.404 1.00 0.00 C ATOM 1059 CG1 VAL A 72 0.298 -4.793 6.284 1.00 0.00 C ATOM 1060 CG2 VAL A 72 2.148 -5.411 4.686 1.00 0.00 C ATOM 0 H VAL A 72 1.040 -8.334 4.495 1.00 0.00 H new ATOM 0 HA VAL A 72 1.973 -6.899 6.921 1.00 0.00 H new ATOM 0 HB VAL A 72 0.148 -6.153 4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.103 -3.909 5.677 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.635 -5.141 6.728 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.005 -4.541 7.075 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.916 -4.515 4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.920 -5.181 5.421 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.508 -6.191 4.014 1.00 0.00 H new ATOM 1070 N ARG A 73 0.235 -7.850 8.332 1.00 0.00 N ATOM 1071 CA ARG A 73 -0.811 -8.292 9.239 1.00 0.00 C ATOM 1072 C ARG A 73 -1.136 -7.192 10.252 1.00 0.00 C ATOM 1073 O ARG A 73 -2.262 -7.103 10.737 1.00 0.00 O ATOM 1074 CB ARG A 73 -0.390 -9.558 9.989 1.00 0.00 C ATOM 1075 CG ARG A 73 -0.638 -10.806 9.140 1.00 0.00 C ATOM 1076 CD ARG A 73 -0.947 -12.017 10.023 1.00 0.00 C ATOM 1077 NE ARG A 73 -2.328 -11.923 10.545 1.00 0.00 N ATOM 1078 CZ ARG A 73 -3.427 -12.071 9.793 1.00 0.00 C ATOM 1079 NH1 ARG A 73 -3.313 -12.319 8.481 1.00 0.00 N ATOM 1080 NH2 ARG A 73 -4.641 -11.969 10.352 1.00 0.00 N ATOM 0 H ARG A 73 1.154 -7.742 8.761 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.696 -8.513 8.642 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.666 -9.496 10.251 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.946 -9.633 10.924 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.469 -10.627 8.458 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.239 -11.013 8.526 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.828 -12.936 9.449 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.239 -12.064 10.850 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.451 -11.734 11.540 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.389 -12.395 8.055 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.150 -12.432 7.909 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.728 -11.779 11.350 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.477 -12.082 9.779 1.00 0.00 H new ATOM 1094 N SER A 74 -0.128 -6.381 10.541 1.00 0.00 N ATOM 1095 CA SER A 74 -0.293 -5.291 11.487 1.00 0.00 C ATOM 1096 C SER A 74 0.285 -4.000 10.902 1.00 0.00 C ATOM 1097 O SER A 74 0.932 -4.023 9.857 1.00 0.00 O ATOM 1098 CB SER A 74 0.378 -5.615 12.823 1.00 0.00 C ATOM 1099 OG SER A 74 -0.559 -5.652 13.896 1.00 0.00 O ATOM 0 H SER A 74 0.805 -6.457 10.137 1.00 0.00 H new ATOM 0 HA SER A 74 -1.359 -5.155 11.670 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.884 -6.578 12.750 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.143 -4.868 13.035 1.00 0.00 H new ATOM 0 HG SER A 74 -0.092 -5.864 14.731 1.00 0.00 H new ATOM 1105 N ASP A 75 0.029 -2.905 11.603 1.00 0.00 N ATOM 1106 CA ASP A 75 0.515 -1.607 11.167 1.00 0.00 C ATOM 1107 C ASP A 75 2.040 -1.651 11.050 1.00 0.00 C ATOM 1108 O ASP A 75 2.624 -0.942 10.233 1.00 0.00 O ATOM 1109 CB ASP A 75 0.149 -0.515 12.174 1.00 0.00 C ATOM 1110 CG ASP A 75 -1.276 -0.594 12.724 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -2.208 -0.374 11.920 1.00 0.00 O ATOM 1112 OD2 ASP A 75 -1.402 -0.872 13.936 1.00 0.00 O ATOM 0 H ASP A 75 -0.509 -2.890 12.470 1.00 0.00 H new ATOM 0 HA ASP A 75 0.054 -1.380 10.206 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.848 -0.563 13.009 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.286 0.457 11.699 1.00 0.00 H new ATOM 1117 N GLU A 76 2.641 -2.491 11.880 1.00 0.00 N ATOM 1118 CA GLU A 76 4.086 -2.637 11.880 1.00 0.00 C ATOM 1119 C GLU A 76 4.584 -2.987 10.476 1.00 0.00 C ATOM 1120 O GLU A 76 5.451 -2.304 9.933 1.00 0.00 O ATOM 1121 CB GLU A 76 4.531 -3.690 12.897 1.00 0.00 C ATOM 1122 CG GLU A 76 4.765 -3.059 14.272 1.00 0.00 C ATOM 1123 CD GLU A 76 3.818 -3.653 15.316 1.00 0.00 C ATOM 1124 OE1 GLU A 76 2.651 -3.206 15.344 1.00 0.00 O ATOM 1125 OE2 GLU A 76 4.282 -4.542 16.063 1.00 0.00 O ATOM 0 H GLU A 76 2.153 -3.077 12.557 1.00 0.00 H new ATOM 0 HA GLU A 76 4.528 -1.685 12.175 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.773 -4.469 12.975 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.447 -4.170 12.552 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.798 -3.221 14.579 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.615 -1.981 14.212 1.00 0.00 H new ATOM 1132 N GLU A 77 4.015 -4.051 9.928 1.00 0.00 N ATOM 1133 CA GLU A 77 4.391 -4.499 8.599 1.00 0.00 C ATOM 1134 C GLU A 77 4.052 -3.427 7.561 1.00 0.00 C ATOM 1135 O GLU A 77 4.804 -3.218 6.611 1.00 0.00 O ATOM 1136 CB GLU A 77 3.713 -5.827 8.256 1.00 0.00 C ATOM 1137 CG GLU A 77 4.395 -6.993 8.974 1.00 0.00 C ATOM 1138 CD GLU A 77 3.363 -7.977 9.527 1.00 0.00 C ATOM 1139 OE1 GLU A 77 2.563 -7.540 10.383 1.00 0.00 O ATOM 1140 OE2 GLU A 77 3.395 -9.145 9.081 1.00 0.00 O ATOM 0 H GLU A 77 3.296 -4.616 10.381 1.00 0.00 H new ATOM 0 HA GLU A 77 5.468 -4.664 8.584 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.661 -5.786 8.539 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.747 -5.989 7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.062 -7.510 8.283 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.012 -6.612 9.788 1.00 0.00 H new ATOM 1147 N MET A 78 2.919 -2.776 7.779 1.00 0.00 N ATOM 1148 CA MET A 78 2.471 -1.730 6.874 1.00 0.00 C ATOM 1149 C MET A 78 3.552 -0.664 6.691 1.00 0.00 C ATOM 1150 O MET A 78 4.137 -0.547 5.615 1.00 0.00 O ATOM 1151 CB MET A 78 1.203 -1.081 7.432 1.00 0.00 C ATOM 1152 CG MET A 78 0.050 -1.181 6.432 1.00 0.00 C ATOM 1153 SD MET A 78 0.044 0.248 5.362 1.00 0.00 S ATOM 1154 CE MET A 78 -0.757 1.432 6.430 1.00 0.00 C ATOM 0 H MET A 78 2.298 -2.952 8.569 1.00 0.00 H new ATOM 0 HA MET A 78 2.263 -2.180 5.903 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.922 -1.568 8.366 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.398 -0.034 7.664 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.150 -2.090 5.838 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.899 -1.251 6.964 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.772 1.612 6.077 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.790 1.041 7.447 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.198 2.368 6.420 1.00 0.00 H new ATOM 1164 N LYS A 79 3.786 0.086 7.758 1.00 0.00 N ATOM 1165 CA LYS A 79 4.787 1.139 7.728 1.00 0.00 C ATOM 1166 C LYS A 79 6.038 0.627 7.011 1.00 0.00 C ATOM 1167 O LYS A 79 6.654 1.355 6.234 1.00 0.00 O ATOM 1168 CB LYS A 79 5.058 1.661 9.140 1.00 0.00 C ATOM 1169 CG LYS A 79 4.419 3.036 9.349 1.00 0.00 C ATOM 1170 CD LYS A 79 4.364 3.394 10.835 1.00 0.00 C ATOM 1171 CE LYS A 79 3.056 2.913 11.467 1.00 0.00 C ATOM 1172 NZ LYS A 79 2.583 3.883 12.480 1.00 0.00 N ATOM 0 H LYS A 79 3.300 -0.015 8.649 1.00 0.00 H new ATOM 0 HA LYS A 79 4.422 1.996 7.161 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.664 0.958 9.873 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.133 1.727 9.307 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.990 3.792 8.810 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.412 3.040 8.933 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.210 2.942 11.353 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.455 4.473 10.956 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.297 2.785 10.695 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.206 1.938 11.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.695 3.542 12.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.301 3.984 13.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.421 4.805 12.028 1.00 0.00 H new ATOM 1186 N ALA A 80 6.376 -0.621 7.297 1.00 0.00 N ATOM 1187 CA ALA A 80 7.542 -1.239 6.689 1.00 0.00 C ATOM 1188 C ALA A 80 7.362 -1.273 5.170 1.00 0.00 C ATOM 1189 O ALA A 80 8.188 -0.737 4.432 1.00 0.00 O ATOM 1190 CB ALA A 80 7.749 -2.634 7.282 1.00 0.00 C ATOM 0 H ALA A 80 5.863 -1.222 7.942 1.00 0.00 H new ATOM 0 HA ALA A 80 8.439 -0.658 6.902 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.624 -3.097 6.826 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.901 -2.553 8.358 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.870 -3.247 7.085 1.00 0.00 H new ATOM 1196 N MET A 81 6.278 -1.906 4.748 1.00 0.00 N ATOM 1197 CA MET A 81 5.980 -2.017 3.330 1.00 0.00 C ATOM 1198 C MET A 81 6.108 -0.659 2.636 1.00 0.00 C ATOM 1199 O MET A 81 6.651 -0.570 1.535 1.00 0.00 O ATOM 1200 CB MET A 81 4.558 -2.551 3.148 1.00 0.00 C ATOM 1201 CG MET A 81 4.114 -2.440 1.688 1.00 0.00 C ATOM 1202 SD MET A 81 2.423 -2.987 1.521 1.00 0.00 S ATOM 1203 CE MET A 81 1.567 -1.524 2.078 1.00 0.00 C ATOM 0 H MET A 81 5.595 -2.348 5.363 1.00 0.00 H new ATOM 0 HA MET A 81 6.696 -2.704 2.879 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.513 -3.592 3.468 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.872 -1.992 3.784 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.206 -1.408 1.349 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.764 -3.043 1.055 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.059 -1.736 3.019 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.285 -0.717 2.227 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.834 -1.224 1.329 1.00 0.00 H new ATOM 1213 N LEU A 82 5.600 0.363 3.307 1.00 0.00 N ATOM 1214 CA LEU A 82 5.651 1.712 2.768 1.00 0.00 C ATOM 1215 C LEU A 82 7.083 2.243 2.869 1.00 0.00 C ATOM 1216 O LEU A 82 7.596 2.836 1.921 1.00 0.00 O ATOM 1217 CB LEU A 82 4.615 2.603 3.456 1.00 0.00 C ATOM 1218 CG LEU A 82 3.151 2.307 3.126 1.00 0.00 C ATOM 1219 CD1 LEU A 82 2.267 2.461 4.366 1.00 0.00 C ATOM 1220 CD2 LEU A 82 2.664 3.175 1.964 1.00 0.00 C ATOM 0 H LEU A 82 5.151 0.285 4.219 1.00 0.00 H new ATOM 0 HA LEU A 82 5.385 1.710 1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.749 2.516 4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.824 3.640 3.192 1.00 0.00 H new ATOM 0 HG LEU A 82 3.077 1.268 2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.231 2.245 4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.598 1.766 5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.341 3.482 4.741 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.620 2.944 1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.755 4.227 2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.269 2.972 1.080 1.00 0.00 H new ATOM 1232 N SER A 83 7.686 2.011 4.025 1.00 0.00 N ATOM 1233 CA SER A 83 9.048 2.458 4.262 1.00 0.00 C ATOM 1234 C SER A 83 9.964 1.964 3.140 1.00 0.00 C ATOM 1235 O SER A 83 10.956 2.613 2.812 1.00 0.00 O ATOM 1236 CB SER A 83 9.561 1.970 5.618 1.00 0.00 C ATOM 1237 OG SER A 83 10.896 2.399 5.870 1.00 0.00 O ATOM 0 H SER A 83 7.256 1.519 4.808 1.00 0.00 H new ATOM 0 HA SER A 83 9.052 3.548 4.273 1.00 0.00 H new ATOM 0 HB2 SER A 83 8.906 2.339 6.407 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.518 0.881 5.651 1.00 0.00 H new ATOM 0 HG SER A 83 11.186 2.068 6.746 1.00 0.00 H new ATOM 1243 N TYR A 84 9.597 0.820 2.581 1.00 0.00 N ATOM 1244 CA TYR A 84 10.373 0.231 1.503 1.00 0.00 C ATOM 1245 C TYR A 84 9.986 0.840 0.153 1.00 0.00 C ATOM 1246 O TYR A 84 10.813 1.464 -0.510 1.00 0.00 O ATOM 1247 CB TYR A 84 10.023 -1.258 1.495 1.00 0.00 C ATOM 1248 CG TYR A 84 10.022 -1.891 0.102 1.00 0.00 C ATOM 1249 CD1 TYR A 84 11.192 -1.951 -0.628 1.00 0.00 C ATOM 1250 CD2 TYR A 84 8.853 -2.401 -0.424 1.00 0.00 C ATOM 1251 CE1 TYR A 84 11.191 -2.547 -1.939 1.00 0.00 C ATOM 1252 CE2 TYR A 84 8.852 -2.996 -1.735 1.00 0.00 C ATOM 1253 CZ TYR A 84 10.022 -3.039 -2.428 1.00 0.00 C ATOM 1254 OH TYR A 84 10.022 -3.602 -3.667 1.00 0.00 O ATOM 0 H TYR A 84 8.773 0.285 2.854 1.00 0.00 H new ATOM 0 HA TYR A 84 11.437 0.409 1.655 1.00 0.00 H new ATOM 0 HB2 TYR A 84 10.735 -1.791 2.124 1.00 0.00 H new ATOM 0 HB3 TYR A 84 9.039 -1.392 1.944 1.00 0.00 H new ATOM 0 HD1 TYR A 84 12.107 -1.551 -0.216 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.938 -2.354 0.148 1.00 0.00 H new ATOM 0 HE1 TYR A 84 12.099 -2.602 -2.521 1.00 0.00 H new ATOM 0 HE2 TYR A 84 7.944 -3.399 -2.158 1.00 0.00 H new ATOM 0 HH TYR A 84 9.405 -4.363 -3.680 1.00 0.00 H new ATOM 1264 N TYR A 85 8.729 0.638 -0.213 1.00 0.00 N ATOM 1265 CA TYR A 85 8.223 1.160 -1.471 1.00 0.00 C ATOM 1266 C TYR A 85 8.827 2.531 -1.778 1.00 0.00 C ATOM 1267 O TYR A 85 9.290 2.774 -2.892 1.00 0.00 O ATOM 1268 CB TYR A 85 6.711 1.311 -1.287 1.00 0.00 C ATOM 1269 CG TYR A 85 5.971 1.747 -2.553 1.00 0.00 C ATOM 1270 CD1 TYR A 85 5.861 0.880 -3.621 1.00 0.00 C ATOM 1271 CD2 TYR A 85 5.413 3.007 -2.627 1.00 0.00 C ATOM 1272 CE1 TYR A 85 5.164 1.290 -4.813 1.00 0.00 C ATOM 1273 CE2 TYR A 85 4.717 3.417 -3.818 1.00 0.00 C ATOM 1274 CZ TYR A 85 4.626 2.538 -4.852 1.00 0.00 C ATOM 1275 OH TYR A 85 3.968 2.926 -5.978 1.00 0.00 O ATOM 0 H TYR A 85 8.046 0.120 0.340 1.00 0.00 H new ATOM 0 HA TYR A 85 8.479 0.493 -2.294 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.300 0.360 -0.947 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.522 2.040 -0.499 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.298 -0.106 -3.563 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.499 3.685 -1.791 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.071 0.622 -5.656 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.277 4.401 -3.889 1.00 0.00 H new ATOM 0 HH TYR A 85 4.458 2.614 -6.767 1.00 0.00 H new ATOM 1285 N TYR A 86 8.802 3.393 -0.772 1.00 0.00 N ATOM 1286 CA TYR A 86 9.341 4.734 -0.921 1.00 0.00 C ATOM 1287 C TYR A 86 10.870 4.707 -0.971 1.00 0.00 C ATOM 1288 O TYR A 86 11.480 5.399 -1.785 1.00 0.00 O ATOM 1289 CB TYR A 86 8.897 5.507 0.322 1.00 0.00 C ATOM 1290 CG TYR A 86 7.378 5.611 0.481 1.00 0.00 C ATOM 1291 CD1 TYR A 86 6.570 5.663 -0.636 1.00 0.00 C ATOM 1292 CD2 TYR A 86 6.818 5.653 1.742 1.00 0.00 C ATOM 1293 CE1 TYR A 86 5.141 5.760 -0.486 1.00 0.00 C ATOM 1294 CE2 TYR A 86 5.389 5.750 1.891 1.00 0.00 C ATOM 1295 CZ TYR A 86 4.621 5.799 0.770 1.00 0.00 C ATOM 1296 OH TYR A 86 3.271 5.891 0.911 1.00 0.00 O ATOM 0 H TYR A 86 8.417 3.189 0.150 1.00 0.00 H new ATOM 0 HA TYR A 86 8.987 5.190 -1.846 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.312 5.023 1.206 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.317 6.512 0.282 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.009 5.631 -1.622 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.451 5.613 2.616 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.497 5.801 -1.352 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.937 5.783 2.871 1.00 0.00 H new ATOM 0 HH TYR A 86 2.836 5.618 0.077 1.00 0.00 H new ATOM 1306 N SER A 87 11.445 3.902 -0.091 1.00 0.00 N ATOM 1307 CA SER A 87 12.891 3.776 -0.024 1.00 0.00 C ATOM 1308 C SER A 87 13.436 3.282 -1.366 1.00 0.00 C ATOM 1309 O SER A 87 14.570 3.587 -1.730 1.00 0.00 O ATOM 1310 CB SER A 87 13.311 2.828 1.100 1.00 0.00 C ATOM 1311 OG SER A 87 14.725 2.662 1.159 1.00 0.00 O ATOM 0 H SER A 87 10.936 3.330 0.582 1.00 0.00 H new ATOM 0 HA SER A 87 13.309 4.759 0.192 1.00 0.00 H new ATOM 0 HB2 SER A 87 12.951 3.215 2.054 1.00 0.00 H new ATOM 0 HB3 SER A 87 12.838 1.857 0.951 1.00 0.00 H new ATOM 0 HG SER A 87 14.952 2.051 1.891 1.00 0.00 H new ATOM 1317 N THR A 88 12.601 2.528 -2.065 1.00 0.00 N ATOM 1318 CA THR A 88 12.984 1.988 -3.359 1.00 0.00 C ATOM 1319 C THR A 88 12.470 2.887 -4.485 1.00 0.00 C ATOM 1320 O THR A 88 13.191 3.162 -5.443 1.00 0.00 O ATOM 1321 CB THR A 88 12.466 0.551 -3.444 1.00 0.00 C ATOM 1322 OG1 THR A 88 13.467 -0.135 -4.192 1.00 0.00 O ATOM 1323 CG2 THR A 88 11.209 0.432 -4.308 1.00 0.00 C ATOM 0 H THR A 88 11.660 2.278 -1.760 1.00 0.00 H new ATOM 0 HA THR A 88 14.068 1.965 -3.473 1.00 0.00 H new ATOM 0 HB THR A 88 12.253 0.182 -2.441 1.00 0.00 H new ATOM 0 HG1 THR A 88 13.212 -1.076 -4.293 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.883 -0.608 -4.335 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.417 1.050 -3.885 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.430 0.769 -5.321 1.00 0.00 H new ATOM 1331 N VAL A 89 11.228 3.321 -4.332 1.00 0.00 N ATOM 1332 CA VAL A 89 10.609 4.184 -5.324 1.00 0.00 C ATOM 1333 C VAL A 89 11.528 5.375 -5.603 1.00 0.00 C ATOM 1334 O VAL A 89 11.851 5.658 -6.755 1.00 0.00 O ATOM 1335 CB VAL A 89 9.213 4.602 -4.857 1.00 0.00 C ATOM 1336 CG1 VAL A 89 8.788 5.919 -5.509 1.00 0.00 C ATOM 1337 CG2 VAL A 89 8.189 3.499 -5.132 1.00 0.00 C ATOM 0 H VAL A 89 10.633 3.091 -3.536 1.00 0.00 H new ATOM 0 HA VAL A 89 10.476 3.649 -6.265 1.00 0.00 H new ATOM 0 HB VAL A 89 9.254 4.760 -3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.792 6.193 -5.160 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.496 6.703 -5.240 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.773 5.800 -6.592 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.206 3.822 -4.790 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.153 3.295 -6.202 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.478 2.593 -4.600 1.00 0.00 H new ATOM 1347 N MET A 90 11.923 6.040 -4.528 1.00 0.00 N ATOM 1348 CA MET A 90 12.799 7.194 -4.642 1.00 0.00 C ATOM 1349 C MET A 90 14.081 6.837 -5.396 1.00 0.00 C ATOM 1350 O MET A 90 14.672 7.687 -6.061 1.00 0.00 O ATOM 1351 CB MET A 90 13.153 7.707 -3.244 1.00 0.00 C ATOM 1352 CG MET A 90 14.336 6.931 -2.660 1.00 0.00 C ATOM 1353 SD MET A 90 15.871 7.694 -3.157 1.00 0.00 S ATOM 1354 CE MET A 90 16.243 8.630 -1.684 1.00 0.00 C ATOM 0 H MET A 90 11.653 5.802 -3.574 1.00 0.00 H new ATOM 0 HA MET A 90 12.276 7.970 -5.201 1.00 0.00 H new ATOM 0 HB2 MET A 90 13.398 8.768 -3.293 1.00 0.00 H new ATOM 0 HB3 MET A 90 12.289 7.609 -2.587 1.00 0.00 H new ATOM 0 HG2 MET A 90 14.266 6.910 -1.572 1.00 0.00 H new ATOM 0 HG3 MET A 90 14.307 5.896 -3.002 1.00 0.00 H new ATOM 0 HE1 MET A 90 17.178 9.172 -1.824 1.00 0.00 H new ATOM 0 HE2 MET A 90 15.438 9.339 -1.491 1.00 0.00 H new ATOM 0 HE3 MET A 90 16.340 7.951 -0.837 1.00 0.00 H new ATOM 1364 N GLU A 91 14.474 5.578 -5.267 1.00 0.00 N ATOM 1365 CA GLU A 91 15.676 5.098 -5.928 1.00 0.00 C ATOM 1366 C GLU A 91 15.415 4.893 -7.421 1.00 0.00 C ATOM 1367 O GLU A 91 16.323 5.034 -8.239 1.00 0.00 O ATOM 1368 CB GLU A 91 16.181 3.809 -5.277 1.00 0.00 C ATOM 1369 CG GLU A 91 16.941 4.109 -3.984 1.00 0.00 C ATOM 1370 CD GLU A 91 17.319 2.816 -3.257 1.00 0.00 C ATOM 1371 OE1 GLU A 91 18.090 2.034 -3.854 1.00 0.00 O ATOM 1372 OE2 GLU A 91 16.828 2.639 -2.121 1.00 0.00 O ATOM 0 H GLU A 91 13.982 4.876 -4.715 1.00 0.00 H new ATOM 0 HA GLU A 91 16.455 5.852 -5.816 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.339 3.151 -5.064 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.832 3.278 -5.971 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.842 4.679 -4.211 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.326 4.730 -3.333 1.00 0.00 H new ATOM 1379 N GLN A 92 14.169 4.564 -7.732 1.00 0.00 N ATOM 1380 CA GLN A 92 13.777 4.338 -9.112 1.00 0.00 C ATOM 1381 C GLN A 92 13.778 5.657 -9.887 1.00 0.00 C ATOM 1382 O GLN A 92 13.888 5.662 -11.112 1.00 0.00 O ATOM 1383 CB GLN A 92 12.409 3.658 -9.189 1.00 0.00 C ATOM 1384 CG GLN A 92 12.527 2.157 -8.916 1.00 0.00 C ATOM 1385 CD GLN A 92 11.545 1.363 -9.781 1.00 0.00 C ATOM 1386 OE1 GLN A 92 11.817 1.023 -10.920 1.00 0.00 O ATOM 1387 NE2 GLN A 92 10.392 1.089 -9.178 1.00 0.00 N ATOM 0 H GLN A 92 13.418 4.449 -7.051 1.00 0.00 H new ATOM 0 HA GLN A 92 14.505 3.669 -9.571 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.732 4.111 -8.464 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.974 3.819 -10.175 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.546 1.826 -9.119 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.331 1.959 -7.862 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.229 1.404 -8.222 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.670 0.564 -9.672 1.00 0.00 H new ATOM 1396 N GLN A 93 13.653 6.745 -9.141 1.00 0.00 N ATOM 1397 CA GLN A 93 13.638 8.067 -9.742 1.00 0.00 C ATOM 1398 C GLN A 93 15.068 8.563 -9.971 1.00 0.00 C ATOM 1399 O GLN A 93 15.396 9.043 -11.055 1.00 0.00 O ATOM 1400 CB GLN A 93 12.848 9.053 -8.879 1.00 0.00 C ATOM 1401 CG GLN A 93 11.413 8.567 -8.665 1.00 0.00 C ATOM 1402 CD GLN A 93 10.430 9.740 -8.673 1.00 0.00 C ATOM 1403 OE1 GLN A 93 10.225 10.405 -9.674 1.00 0.00 O ATOM 1404 NE2 GLN A 93 9.837 9.955 -7.502 1.00 0.00 N ATOM 0 H GLN A 93 13.561 6.737 -8.125 1.00 0.00 H new ATOM 0 HA GLN A 93 13.138 7.999 -10.708 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.342 9.175 -7.915 1.00 0.00 H new ATOM 0 HB3 GLN A 93 12.837 10.032 -9.357 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.145 7.858 -9.448 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.343 8.036 -7.716 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.055 9.360 -6.703 1.00 0.00 H new ATOM 0 HE22 GLN A 93 9.164 10.715 -7.403 1.00 0.00 H new ATOM 1413 N VAL A 94 15.880 8.429 -8.933 1.00 0.00 N ATOM 1414 CA VAL A 94 17.266 8.857 -9.007 1.00 0.00 C ATOM 1415 C VAL A 94 17.984 8.058 -10.096 1.00 0.00 C ATOM 1416 O VAL A 94 18.932 8.548 -10.709 1.00 0.00 O ATOM 1417 CB VAL A 94 17.929 8.726 -7.634 1.00 0.00 C ATOM 1418 CG1 VAL A 94 16.988 9.199 -6.524 1.00 0.00 C ATOM 1419 CG2 VAL A 94 18.393 7.290 -7.385 1.00 0.00 C ATOM 0 H VAL A 94 15.604 8.030 -8.036 1.00 0.00 H new ATOM 0 HA VAL A 94 17.326 9.910 -9.283 1.00 0.00 H new ATOM 0 HB VAL A 94 18.809 9.369 -7.623 1.00 0.00 H new ATOM 0 HG11 VAL A 94 17.483 9.095 -5.559 1.00 0.00 H new ATOM 0 HG12 VAL A 94 16.728 10.245 -6.688 1.00 0.00 H new ATOM 0 HG13 VAL A 94 16.081 8.594 -6.533 1.00 0.00 H new ATOM 0 HG21 VAL A 94 18.861 7.224 -6.403 1.00 0.00 H new ATOM 0 HG22 VAL A 94 17.535 6.618 -7.425 1.00 0.00 H new ATOM 0 HG23 VAL A 94 19.114 7.003 -8.150 1.00 0.00 H new ATOM 1429 N ASN A 95 17.506 6.840 -10.305 1.00 0.00 N ATOM 1430 CA ASN A 95 18.090 5.968 -11.310 1.00 0.00 C ATOM 1431 C ASN A 95 17.634 6.420 -12.698 1.00 0.00 C ATOM 1432 O ASN A 95 18.443 6.885 -13.500 1.00 0.00 O ATOM 1433 CB ASN A 95 17.639 4.520 -11.112 1.00 0.00 C ATOM 1434 CG ASN A 95 18.755 3.677 -10.491 1.00 0.00 C ATOM 1435 OD1 ASN A 95 19.251 2.729 -11.077 1.00 0.00 O ATOM 1436 ND2 ASN A 95 19.121 4.075 -9.276 1.00 0.00 N ATOM 0 H ASN A 95 16.720 6.436 -9.795 1.00 0.00 H new ATOM 0 HA ASN A 95 19.174 6.024 -11.216 1.00 0.00 H new ATOM 0 HB2 ASN A 95 16.759 4.494 -10.470 1.00 0.00 H new ATOM 0 HB3 ASN A 95 17.346 4.092 -12.071 1.00 0.00 H new ATOM 0 HD21 ASN A 95 19.859 3.578 -8.777 1.00 0.00 H new ATOM 0 HD22 ASN A 95 18.664 4.877 -8.843 1.00 0.00 H new ATOM 1443 N GLY A 96 16.341 6.267 -12.941 1.00 0.00 N ATOM 1444 CA GLY A 96 15.768 6.653 -14.219 1.00 0.00 C ATOM 1445 C GLY A 96 14.428 5.951 -14.453 1.00 0.00 C ATOM 1446 O GLY A 96 13.413 6.606 -14.683 1.00 0.00 O ATOM 0 H GLY A 96 15.673 5.881 -12.274 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.626 7.733 -14.247 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.460 6.401 -15.023 1.00 0.00 H new ATOM 1450 N GLN A 97 14.470 4.629 -14.388 1.00 0.00 N ATOM 1451 CA GLN A 97 13.272 3.832 -14.590 1.00 0.00 C ATOM 1452 C GLN A 97 12.067 4.508 -13.934 1.00 0.00 C ATOM 1453 O GLN A 97 12.224 5.298 -13.004 1.00 0.00 O ATOM 1454 CB GLN A 97 13.462 2.411 -14.055 1.00 0.00 C ATOM 1455 CG GLN A 97 13.926 2.431 -12.598 1.00 0.00 C ATOM 1456 CD GLN A 97 14.611 1.115 -12.222 1.00 0.00 C ATOM 1457 OE1 GLN A 97 14.264 0.047 -12.698 1.00 0.00 O ATOM 1458 NE2 GLN A 97 15.599 1.252 -11.342 1.00 0.00 N ATOM 0 H GLN A 97 15.315 4.089 -14.198 1.00 0.00 H new ATOM 0 HA GLN A 97 13.084 3.760 -15.661 1.00 0.00 H new ATOM 0 HB2 GLN A 97 12.525 1.860 -14.134 1.00 0.00 H new ATOM 0 HB3 GLN A 97 14.194 1.883 -14.666 1.00 0.00 H new ATOM 0 HG2 GLN A 97 14.616 3.261 -12.444 1.00 0.00 H new ATOM 0 HG3 GLN A 97 13.072 2.600 -11.943 1.00 0.00 H new ATOM 0 HE21 GLN A 97 15.838 2.176 -10.983 1.00 0.00 H new ATOM 0 HE22 GLN A 97 16.118 0.433 -11.026 1.00 0.00 H new ATOM 1467 N LEU A 98 10.890 4.173 -14.443 1.00 0.00 N ATOM 1468 CA LEU A 98 9.659 4.738 -13.918 1.00 0.00 C ATOM 1469 C LEU A 98 9.310 4.050 -12.596 1.00 0.00 C ATOM 1470 O LEU A 98 9.891 3.021 -12.256 1.00 0.00 O ATOM 1471 CB LEU A 98 8.545 4.661 -14.964 1.00 0.00 C ATOM 1472 CG LEU A 98 8.602 3.465 -15.917 1.00 0.00 C ATOM 1473 CD1 LEU A 98 8.874 2.168 -15.154 1.00 0.00 C ATOM 1474 CD2 LEU A 98 7.330 3.377 -16.762 1.00 0.00 C ATOM 0 H LEU A 98 10.763 3.517 -15.214 1.00 0.00 H new ATOM 0 HA LEU A 98 9.789 5.798 -13.702 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.587 4.641 -14.445 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.567 5.575 -15.558 1.00 0.00 H new ATOM 0 HG LEU A 98 9.435 3.615 -16.604 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.909 1.334 -15.855 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.829 2.245 -14.634 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.078 1.999 -14.429 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.396 2.519 -17.431 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.466 3.262 -16.108 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.220 4.288 -17.351 1.00 0.00 H new ATOM 1486 N ILE A 99 8.364 4.647 -11.887 1.00 0.00 N ATOM 1487 CA ILE A 99 7.931 4.105 -10.610 1.00 0.00 C ATOM 1488 C ILE A 99 6.814 3.086 -10.846 1.00 0.00 C ATOM 1489 O ILE A 99 6.004 3.247 -11.757 1.00 0.00 O ATOM 1490 CB ILE A 99 7.541 5.233 -9.653 1.00 0.00 C ATOM 1491 CG1 ILE A 99 8.647 6.288 -9.570 1.00 0.00 C ATOM 1492 CG2 ILE A 99 7.171 4.681 -8.276 1.00 0.00 C ATOM 1493 CD1 ILE A 99 9.905 5.713 -8.916 1.00 0.00 C ATOM 0 H ILE A 99 7.885 5.501 -12.172 1.00 0.00 H new ATOM 0 HA ILE A 99 8.750 3.575 -10.124 1.00 0.00 H new ATOM 0 HB ILE A 99 6.654 5.726 -10.050 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.886 6.649 -10.570 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.294 7.146 -8.997 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.898 5.504 -7.615 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.327 3.998 -8.373 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.024 4.147 -7.857 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.675 6.483 -8.869 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.668 5.375 -7.907 1.00 0.00 H new ATOM 0 HD13 ILE A 99 10.269 4.871 -9.505 1.00 0.00 H new ATOM 1505 N GLU A 100 6.809 2.058 -10.010 1.00 0.00 N ATOM 1506 CA GLU A 100 5.805 1.013 -10.116 1.00 0.00 C ATOM 1507 C GLU A 100 4.818 1.104 -8.950 1.00 0.00 C ATOM 1508 O GLU A 100 5.164 1.595 -7.877 1.00 0.00 O ATOM 1509 CB GLU A 100 6.458 -0.370 -10.175 1.00 0.00 C ATOM 1510 CG GLU A 100 7.316 -0.518 -11.433 1.00 0.00 C ATOM 1511 CD GLU A 100 6.464 -0.944 -12.631 1.00 0.00 C ATOM 1512 OE1 GLU A 100 5.736 -1.949 -12.480 1.00 0.00 O ATOM 1513 OE2 GLU A 100 6.561 -0.256 -13.670 1.00 0.00 O ATOM 0 H GLU A 100 7.484 1.927 -9.257 1.00 0.00 H new ATOM 0 HA GLU A 100 5.254 1.159 -11.045 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.075 -0.523 -9.290 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.687 -1.141 -10.163 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.812 0.428 -11.653 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.099 -1.256 -11.259 1.00 0.00 H new ATOM 1520 N PRO A 101 3.578 0.610 -9.208 1.00 0.00 N ATOM 1521 CA PRO A 101 2.538 0.631 -8.192 1.00 0.00 C ATOM 1522 C PRO A 101 2.785 -0.445 -7.133 1.00 0.00 C ATOM 1523 O PRO A 101 3.204 -1.556 -7.457 1.00 0.00 O ATOM 1524 CB PRO A 101 1.239 0.427 -8.955 1.00 0.00 C ATOM 1525 CG PRO A 101 1.633 -0.162 -10.299 1.00 0.00 C ATOM 1526 CD PRO A 101 3.133 0.021 -10.467 1.00 0.00 C ATOM 0 HA PRO A 101 2.514 1.567 -7.634 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.570 -0.244 -8.416 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.709 1.371 -9.083 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.370 -1.219 -10.344 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.095 0.335 -11.106 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.629 -0.931 -10.656 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.360 0.672 -11.311 1.00 0.00 H new ATOM 1534 N LEU A 102 2.514 -0.079 -5.889 1.00 0.00 N ATOM 1535 CA LEU A 102 2.701 -0.999 -4.780 1.00 0.00 C ATOM 1536 C LEU A 102 1.873 -2.262 -5.026 1.00 0.00 C ATOM 1537 O LEU A 102 0.732 -2.358 -4.576 1.00 0.00 O ATOM 1538 CB LEU A 102 2.389 -0.308 -3.452 1.00 0.00 C ATOM 1539 CG LEU A 102 2.614 -1.145 -2.191 1.00 0.00 C ATOM 1540 CD1 LEU A 102 4.005 -1.783 -2.198 1.00 0.00 C ATOM 1541 CD2 LEU A 102 2.372 -0.313 -0.930 1.00 0.00 C ATOM 0 H LEU A 102 2.166 0.843 -5.624 1.00 0.00 H new ATOM 0 HA LEU A 102 3.744 -1.309 -4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 102 3.000 0.592 -3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.348 0.015 -3.469 1.00 0.00 H new ATOM 0 HG LEU A 102 1.887 -1.957 -2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.140 -2.372 -1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.104 -2.430 -3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.764 -1.001 -2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.539 -0.932 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.059 0.533 -0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.345 0.053 -0.927 1.00 0.00 H new ATOM 1553 N GLN A 103 2.479 -3.200 -5.739 1.00 0.00 N ATOM 1554 CA GLN A 103 1.812 -4.452 -6.050 1.00 0.00 C ATOM 1555 C GLN A 103 1.598 -5.271 -4.775 1.00 0.00 C ATOM 1556 O GLN A 103 2.557 -5.763 -4.181 1.00 0.00 O ATOM 1557 CB GLN A 103 2.602 -5.251 -7.088 1.00 0.00 C ATOM 1558 CG GLN A 103 1.746 -6.369 -7.688 1.00 0.00 C ATOM 1559 CD GLN A 103 2.397 -6.943 -8.947 1.00 0.00 C ATOM 1560 OE1 GLN A 103 3.270 -6.345 -9.554 1.00 0.00 O ATOM 1561 NE2 GLN A 103 1.926 -8.134 -9.305 1.00 0.00 N ATOM 0 H GLN A 103 3.425 -3.118 -6.110 1.00 0.00 H new ATOM 0 HA GLN A 103 0.837 -4.224 -6.480 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.945 -4.586 -7.880 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.491 -5.678 -6.624 1.00 0.00 H new ATOM 0 HG2 GLN A 103 1.609 -7.161 -6.952 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.756 -5.983 -7.930 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.194 -8.580 -8.752 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.297 -8.601 -10.132 1.00 0.00 H new ATOM 1570 N ILE A 104 0.336 -5.391 -4.391 1.00 0.00 N ATOM 1571 CA ILE A 104 -0.016 -6.141 -3.198 1.00 0.00 C ATOM 1572 C ILE A 104 -0.911 -7.319 -3.586 1.00 0.00 C ATOM 1573 O ILE A 104 -1.079 -7.612 -4.769 1.00 0.00 O ATOM 1574 CB ILE A 104 -0.636 -5.217 -2.148 1.00 0.00 C ATOM 1575 CG1 ILE A 104 -1.858 -4.489 -2.712 1.00 0.00 C ATOM 1576 CG2 ILE A 104 0.404 -4.244 -1.589 1.00 0.00 C ATOM 1577 CD1 ILE A 104 -2.663 -3.822 -1.595 1.00 0.00 C ATOM 0 H ILE A 104 -0.456 -4.981 -4.886 1.00 0.00 H new ATOM 0 HA ILE A 104 0.877 -6.559 -2.734 1.00 0.00 H new ATOM 0 HB ILE A 104 -0.982 -5.830 -1.316 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.537 -3.737 -3.433 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.491 -5.196 -3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -0.064 -3.599 -0.845 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.215 -4.805 -1.124 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.803 -3.633 -2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.526 -3.312 -2.023 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -3.003 -4.580 -0.889 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.034 -3.099 -1.076 1.00 0.00 H new ATOM 1589 N PHE A 105 -1.461 -7.964 -2.568 1.00 0.00 N ATOM 1590 CA PHE A 105 -2.334 -9.104 -2.788 1.00 0.00 C ATOM 1591 C PHE A 105 -3.232 -9.350 -1.574 1.00 0.00 C ATOM 1592 O PHE A 105 -2.741 -9.546 -0.463 1.00 0.00 O ATOM 1593 CB PHE A 105 -1.434 -10.324 -2.997 1.00 0.00 C ATOM 1594 CG PHE A 105 -0.339 -10.117 -4.045 1.00 0.00 C ATOM 1595 CD1 PHE A 105 0.844 -9.547 -3.690 1.00 0.00 C ATOM 1596 CD2 PHE A 105 -0.549 -10.503 -5.333 1.00 0.00 C ATOM 1597 CE1 PHE A 105 1.860 -9.355 -4.663 1.00 0.00 C ATOM 1598 CE2 PHE A 105 0.467 -10.311 -6.306 1.00 0.00 C ATOM 1599 CZ PHE A 105 1.650 -9.741 -5.951 1.00 0.00 C ATOM 0 H PHE A 105 -1.319 -7.719 -1.588 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.976 -8.919 -3.650 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -0.968 -10.586 -2.047 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.052 -11.172 -3.294 1.00 0.00 H new ATOM 0 HD1 PHE A 105 1.010 -9.240 -2.668 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -1.488 -10.955 -5.615 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.799 -8.903 -4.381 1.00 0.00 H new ATOM 0 HE2 PHE A 105 0.301 -10.618 -7.328 1.00 0.00 H new ATOM 0 HZ PHE A 105 2.423 -9.595 -6.691 1.00 0.00 H new ATOM 1609 N PRO A 106 -4.567 -9.330 -1.833 1.00 0.00 N ATOM 1610 CA PRO A 106 -5.538 -9.548 -0.774 1.00 0.00 C ATOM 1611 C PRO A 106 -5.601 -11.026 -0.383 1.00 0.00 C ATOM 1612 O PRO A 106 -6.304 -11.811 -1.018 1.00 0.00 O ATOM 1613 CB PRO A 106 -6.852 -9.025 -1.331 1.00 0.00 C ATOM 1614 CG PRO A 106 -6.670 -8.963 -2.839 1.00 0.00 C ATOM 1615 CD PRO A 106 -5.185 -9.101 -3.135 1.00 0.00 C ATOM 0 HA PRO A 106 -5.277 -9.030 0.149 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -7.679 -9.683 -1.064 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -7.084 -8.041 -0.925 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -7.232 -9.761 -3.325 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -7.052 -8.020 -3.231 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -4.992 -9.930 -3.816 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -4.790 -8.202 -3.608 1.00 0.00 H new ATOM 1623 N ARG A 107 -4.856 -11.361 0.660 1.00 0.00 N ATOM 1624 CA ARG A 107 -4.817 -12.731 1.143 1.00 0.00 C ATOM 1625 C ARG A 107 -6.233 -13.308 1.216 1.00 0.00 C ATOM 1626 O ARG A 107 -6.536 -14.303 0.559 1.00 0.00 O ATOM 1627 CB ARG A 107 -4.171 -12.809 2.527 1.00 0.00 C ATOM 1628 CG ARG A 107 -2.740 -13.345 2.435 1.00 0.00 C ATOM 1629 CD ARG A 107 -2.197 -13.698 3.821 1.00 0.00 C ATOM 1630 NE ARG A 107 -3.014 -14.773 4.426 1.00 0.00 N ATOM 1631 CZ ARG A 107 -4.095 -14.557 5.187 1.00 0.00 C ATOM 1632 NH1 ARG A 107 -4.496 -13.303 5.440 1.00 0.00 N ATOM 1633 NH2 ARG A 107 -4.776 -15.593 5.695 1.00 0.00 N ATOM 0 H ARG A 107 -4.274 -10.707 1.184 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.219 -13.313 0.442 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.164 -11.820 2.985 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.764 -13.456 3.173 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -2.719 -14.228 1.796 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.098 -12.599 1.968 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -1.158 -14.020 3.743 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.210 -12.816 4.461 1.00 0.00 H new ATOM 0 HE ARG A 107 -2.737 -15.739 4.253 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -3.978 -12.514 5.053 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -5.319 -13.138 6.019 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -4.471 -16.547 5.502 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -5.599 -15.427 6.274 1.00 0.00 H new