USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 991 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 76 TYR OH : rot 40:sc= 1.27 USER MOD Set 1.2: A 96 HIS : no HD1:sc= 1.11 K(o=2.4,f=-11!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl -154:sc= -0.184 (180deg=-0.85) USER MOD Single : A 17 LYS NZ :NH3+ -170:sc= 1.12 (180deg=0.826) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 154:sc= 0.997 (180deg=0.534) USER MOD Single : A 26 ASN : amide:sc= 0.359 K(o=0.36,f=-6.6!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 30:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.69) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.393 USER MOD Single : A 47 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 12:sc= 1.12 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.0959 K(o=-0.096,f=-2.3!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 152:sc= -0.439 (180deg=-2.01!) USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= 1.25 (180deg=0.933) USER MOD Single : A 72 LYS NZ :NH3+ -164:sc= -0.051 (180deg=-0.313) USER MOD Single : A 73 SER OG : rot 58:sc= 1.21 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.635 F(o=-4.7!,f=-0.63) USER MOD Single : A 86 ASN : amide:sc= -0.326 K(o=-0.33,f=-4.2!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.4) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot -85:sc= 1.14 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot -75:sc= -0.0376 USER MOD Single : A 131 GLN : amide:sc= 0.377 X(o=0.38,f=-0.11) USER MOD Single : A 133 TYR OH : rot 180:sc= -1.68! USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 215 N TYR A 14 -5.702 -11.729 -8.192 1.00 0.00 N ATOM 216 CA TYR A 14 -6.676 -10.721 -7.806 1.00 0.00 C ATOM 217 C TYR A 14 -6.257 -9.339 -8.283 1.00 0.00 C ATOM 218 O TYR A 14 -5.379 -8.700 -7.706 1.00 0.00 O ATOM 219 CB TYR A 14 -6.913 -10.733 -6.295 1.00 0.00 C ATOM 220 CG TYR A 14 -7.900 -11.794 -5.861 1.00 0.00 C ATOM 221 CD1 TYR A 14 -9.268 -11.569 -5.967 1.00 0.00 C ATOM 222 CD2 TYR A 14 -7.473 -13.016 -5.359 1.00 0.00 C ATOM 223 CE1 TYR A 14 -10.182 -12.529 -5.583 1.00 0.00 C ATOM 224 CE2 TYR A 14 -8.384 -13.985 -4.974 1.00 0.00 C ATOM 225 CZ TYR A 14 -9.737 -13.735 -5.088 1.00 0.00 C ATOM 226 OH TYR A 14 -10.650 -14.694 -4.712 1.00 0.00 O ATOM 0 HA TYR A 14 -7.619 -10.969 -8.294 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.964 -10.897 -5.785 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.278 -9.755 -5.982 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.622 -10.626 -6.357 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.415 -13.214 -5.268 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.241 -12.336 -5.670 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.038 -14.932 -4.586 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.176 -15.487 -4.385 1.00 0.00 H new ATOM 236 N ALA A 15 -6.877 -8.911 -9.366 1.00 0.00 N ATOM 237 CA ALA A 15 -6.647 -7.597 -9.924 1.00 0.00 C ATOM 238 C ALA A 15 -7.973 -6.997 -10.349 1.00 0.00 C ATOM 239 O ALA A 15 -8.775 -7.665 -10.998 1.00 0.00 O ATOM 240 CB ALA A 15 -5.698 -7.679 -11.111 1.00 0.00 C ATOM 0 H ALA A 15 -7.556 -9.469 -9.884 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.187 -6.961 -9.168 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.537 -6.681 -11.518 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.745 -8.097 -10.787 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.132 -8.318 -11.880 1.00 0.00 H new ATOM 246 N MET A 16 -8.211 -5.752 -9.979 1.00 0.00 N ATOM 247 CA MET A 16 -9.461 -5.102 -10.324 1.00 0.00 C ATOM 248 C MET A 16 -9.403 -4.587 -11.752 1.00 0.00 C ATOM 249 O MET A 16 -8.877 -3.506 -12.025 1.00 0.00 O ATOM 250 CB MET A 16 -9.788 -3.973 -9.349 1.00 0.00 C ATOM 251 CG MET A 16 -11.144 -3.338 -9.602 1.00 0.00 C ATOM 252 SD MET A 16 -11.643 -2.219 -8.283 1.00 0.00 S ATOM 253 CE MET A 16 -11.821 -3.364 -6.918 1.00 0.00 C ATOM 0 H MET A 16 -7.561 -5.175 -9.444 1.00 0.00 H new ATOM 0 HA MET A 16 -10.262 -5.838 -10.250 1.00 0.00 H new ATOM 0 HB2 MET A 16 -9.760 -4.361 -8.331 1.00 0.00 H new ATOM 0 HB3 MET A 16 -9.016 -3.206 -9.419 1.00 0.00 H new ATOM 0 HG2 MET A 16 -11.115 -2.792 -10.545 1.00 0.00 H new ATOM 0 HG3 MET A 16 -11.893 -4.122 -9.711 1.00 0.00 H new ATOM 0 HE1 MET A 16 -12.532 -2.962 -6.197 1.00 0.00 H new ATOM 0 HE2 MET A 16 -12.184 -4.322 -7.291 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.855 -3.506 -6.434 1.00 0.00 H new ATOM 263 N LYS A 17 -9.924 -5.395 -12.656 1.00 0.00 N ATOM 264 CA LYS A 17 -9.882 -5.108 -14.076 1.00 0.00 C ATOM 265 C LYS A 17 -11.193 -4.492 -14.544 1.00 0.00 C ATOM 266 O LYS A 17 -12.266 -4.844 -14.041 1.00 0.00 O ATOM 267 CB LYS A 17 -9.626 -6.399 -14.853 1.00 0.00 C ATOM 268 CG LYS A 17 -8.340 -7.105 -14.462 1.00 0.00 C ATOM 269 CD LYS A 17 -8.254 -8.479 -15.101 1.00 0.00 C ATOM 270 CE LYS A 17 -6.919 -9.142 -14.819 1.00 0.00 C ATOM 271 NZ LYS A 17 -5.789 -8.357 -15.384 1.00 0.00 N ATOM 0 H LYS A 17 -10.390 -6.272 -12.424 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.076 -4.397 -14.259 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.464 -7.078 -14.697 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.595 -6.171 -15.918 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.484 -6.504 -14.769 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.290 -7.201 -13.377 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.060 -9.108 -14.724 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.397 -8.390 -16.178 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.786 -9.250 -13.743 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.914 -10.146 -15.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.914 -8.916 -15.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.987 -8.130 -16.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.675 -7.475 -14.844 1.00 0.00 H new ATOM 285 N PRO A 18 -11.122 -3.557 -15.500 1.00 0.00 N ATOM 286 CA PRO A 18 -12.308 -2.987 -16.134 1.00 0.00 C ATOM 287 C PRO A 18 -13.109 -4.062 -16.860 1.00 0.00 C ATOM 288 O PRO A 18 -12.689 -4.565 -17.904 1.00 0.00 O ATOM 289 CB PRO A 18 -11.743 -1.967 -17.132 1.00 0.00 C ATOM 290 CG PRO A 18 -10.350 -1.701 -16.674 1.00 0.00 C ATOM 291 CD PRO A 18 -9.879 -2.972 -16.027 1.00 0.00 C ATOM 0 HA PRO A 18 -12.990 -2.538 -15.412 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -11.755 -2.362 -18.148 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -12.336 -1.053 -17.139 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.709 -1.429 -17.512 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -10.323 -0.870 -15.969 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -9.394 -3.634 -16.744 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.157 -2.777 -15.234 1.00 0.00 H new ATOM 299 N GLY A 19 -14.247 -4.429 -16.292 1.00 0.00 N ATOM 300 CA GLY A 19 -15.049 -5.489 -16.863 1.00 0.00 C ATOM 301 C GLY A 19 -15.524 -6.473 -15.815 1.00 0.00 C ATOM 302 O GLY A 19 -16.459 -7.242 -16.050 1.00 0.00 O ATOM 0 H GLY A 19 -14.630 -4.011 -15.444 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -15.911 -5.057 -17.371 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -14.466 -6.017 -17.618 1.00 0.00 H new ATOM 306 N LEU A 20 -14.870 -6.458 -14.659 1.00 0.00 N ATOM 307 CA LEU A 20 -15.270 -7.316 -13.550 1.00 0.00 C ATOM 308 C LEU A 20 -16.582 -6.824 -12.953 1.00 0.00 C ATOM 309 O LEU A 20 -16.797 -5.619 -12.819 1.00 0.00 O ATOM 310 CB LEU A 20 -14.194 -7.348 -12.460 1.00 0.00 C ATOM 311 CG LEU A 20 -12.826 -7.888 -12.886 1.00 0.00 C ATOM 312 CD1 LEU A 20 -11.885 -7.911 -11.696 1.00 0.00 C ATOM 313 CD2 LEU A 20 -12.951 -9.281 -13.486 1.00 0.00 C ATOM 0 H LEU A 20 -14.064 -5.864 -14.466 1.00 0.00 H new ATOM 0 HA LEU A 20 -15.401 -8.326 -13.939 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.061 -6.336 -12.078 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.561 -7.955 -11.632 1.00 0.00 H new ATOM 0 HG LEU A 20 -12.419 -7.227 -13.651 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.914 -8.296 -12.007 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.766 -6.900 -11.307 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -12.298 -8.553 -10.918 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -11.965 -9.640 -13.780 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -13.379 -9.958 -12.747 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.599 -9.243 -14.362 1.00 0.00 H new ATOM 325 N SER A 21 -17.451 -7.758 -12.600 1.00 0.00 N ATOM 326 CA SER A 21 -18.744 -7.429 -12.021 1.00 0.00 C ATOM 327 C SER A 21 -18.585 -6.977 -10.569 1.00 0.00 C ATOM 328 O SER A 21 -17.518 -7.143 -9.973 1.00 0.00 O ATOM 329 CB SER A 21 -19.668 -8.645 -12.105 1.00 0.00 C ATOM 330 OG SER A 21 -19.744 -9.133 -13.437 1.00 0.00 O ATOM 0 H SER A 21 -17.282 -8.758 -12.706 1.00 0.00 H new ATOM 0 HA SER A 21 -19.185 -6.606 -12.584 1.00 0.00 H new ATOM 0 HB2 SER A 21 -19.301 -9.432 -11.446 1.00 0.00 H new ATOM 0 HB3 SER A 21 -20.664 -8.375 -11.755 1.00 0.00 H new ATOM 0 HG SER A 21 -20.339 -9.911 -13.467 1.00 0.00 H new ATOM 336 N ALA A 22 -19.653 -6.413 -10.009 1.00 0.00 N ATOM 337 CA ALA A 22 -19.633 -5.882 -8.651 1.00 0.00 C ATOM 338 C ALA A 22 -19.224 -6.939 -7.632 1.00 0.00 C ATOM 339 O ALA A 22 -18.401 -6.674 -6.757 1.00 0.00 O ATOM 340 CB ALA A 22 -20.994 -5.302 -8.295 1.00 0.00 C ATOM 0 H ALA A 22 -20.551 -6.312 -10.482 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.884 -5.090 -8.617 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.967 -4.908 -7.279 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -21.240 -4.498 -8.989 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -21.751 -6.083 -8.362 1.00 0.00 H new ATOM 346 N LEU A 23 -19.792 -8.137 -7.749 1.00 0.00 N ATOM 347 CA LEU A 23 -19.470 -9.228 -6.829 1.00 0.00 C ATOM 348 C LEU A 23 -17.985 -9.576 -6.898 1.00 0.00 C ATOM 349 O LEU A 23 -17.348 -9.844 -5.874 1.00 0.00 O ATOM 350 CB LEU A 23 -20.313 -10.468 -7.144 1.00 0.00 C ATOM 351 CG LEU A 23 -21.824 -10.292 -6.973 1.00 0.00 C ATOM 352 CD1 LEU A 23 -22.552 -11.584 -7.307 1.00 0.00 C ATOM 353 CD2 LEU A 23 -22.153 -9.850 -5.557 1.00 0.00 C ATOM 0 H LEU A 23 -20.475 -8.378 -8.468 1.00 0.00 H new ATOM 0 HA LEU A 23 -19.703 -8.893 -5.818 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -20.113 -10.772 -8.172 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -19.984 -11.284 -6.501 1.00 0.00 H new ATOM 0 HG LEU A 23 -22.159 -9.518 -7.663 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -23.625 -11.440 -7.180 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -22.343 -11.863 -8.340 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -22.211 -12.377 -6.641 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -23.232 -9.730 -5.455 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -21.803 -10.602 -4.850 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -21.661 -8.900 -5.349 1.00 0.00 H new ATOM 365 N GLU A 24 -17.437 -9.548 -8.107 1.00 0.00 N ATOM 366 CA GLU A 24 -16.025 -9.832 -8.314 1.00 0.00 C ATOM 367 C GLU A 24 -15.178 -8.740 -7.669 1.00 0.00 C ATOM 368 O GLU A 24 -14.168 -9.019 -7.027 1.00 0.00 O ATOM 369 CB GLU A 24 -15.707 -9.923 -9.808 1.00 0.00 C ATOM 370 CG GLU A 24 -16.608 -10.879 -10.575 1.00 0.00 C ATOM 371 CD GLU A 24 -16.596 -12.284 -10.010 1.00 0.00 C ATOM 372 OE1 GLU A 24 -15.545 -12.951 -10.079 1.00 0.00 O ATOM 373 OE2 GLU A 24 -17.646 -12.733 -9.502 1.00 0.00 O ATOM 0 H GLU A 24 -17.952 -9.331 -8.960 1.00 0.00 H new ATOM 0 HA GLU A 24 -15.792 -10.791 -7.851 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.791 -8.929 -10.248 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.671 -10.239 -9.930 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -17.629 -10.497 -10.562 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -16.292 -10.910 -11.618 1.00 0.00 H new ATOM 380 N LYS A 25 -15.615 -7.493 -7.834 1.00 0.00 N ATOM 381 CA LYS A 25 -14.930 -6.351 -7.236 1.00 0.00 C ATOM 382 C LYS A 25 -14.931 -6.438 -5.714 1.00 0.00 C ATOM 383 O LYS A 25 -13.939 -6.093 -5.070 1.00 0.00 O ATOM 384 CB LYS A 25 -15.575 -5.035 -7.675 1.00 0.00 C ATOM 385 CG LYS A 25 -15.367 -4.708 -9.143 1.00 0.00 C ATOM 386 CD LYS A 25 -15.984 -3.366 -9.497 1.00 0.00 C ATOM 387 CE LYS A 25 -15.701 -2.976 -10.937 1.00 0.00 C ATOM 388 NZ LYS A 25 -16.234 -1.625 -11.262 1.00 0.00 N ATOM 0 H LYS A 25 -16.442 -7.248 -8.378 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.898 -6.375 -7.585 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -16.645 -5.080 -7.471 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -15.169 -4.223 -7.071 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.301 -4.692 -9.368 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.811 -5.490 -9.759 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -17.061 -3.408 -9.337 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -15.592 -2.599 -8.829 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.625 -2.994 -11.113 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.146 -3.712 -11.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.681 -1.212 -12.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -17.230 -1.705 -11.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.163 -1.013 -10.424 1.00 0.00 H new ATOM 402 N ASN A 26 -16.043 -6.897 -5.142 1.00 0.00 N ATOM 403 CA ASN A 26 -16.144 -7.064 -3.692 1.00 0.00 C ATOM 404 C ASN A 26 -15.063 -8.010 -3.197 1.00 0.00 C ATOM 405 O ASN A 26 -14.428 -7.763 -2.172 1.00 0.00 O ATOM 406 CB ASN A 26 -17.509 -7.623 -3.276 1.00 0.00 C ATOM 407 CG ASN A 26 -18.682 -6.753 -3.683 1.00 0.00 C ATOM 408 OD1 ASN A 26 -18.555 -5.541 -3.862 1.00 0.00 O ATOM 409 ND2 ASN A 26 -19.842 -7.375 -3.808 1.00 0.00 N ATOM 0 H ASN A 26 -16.883 -7.159 -5.657 1.00 0.00 H new ATOM 0 HA ASN A 26 -16.019 -6.077 -3.247 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -17.634 -8.613 -3.716 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -17.523 -7.751 -2.194 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -20.678 -6.849 -4.062 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -19.901 -8.381 -3.650 1.00 0.00 H new ATOM 416 N ALA A 27 -14.858 -9.094 -3.941 1.00 0.00 N ATOM 417 CA ALA A 27 -13.838 -10.076 -3.606 1.00 0.00 C ATOM 418 C ALA A 27 -12.450 -9.449 -3.629 1.00 0.00 C ATOM 419 O ALA A 27 -11.608 -9.758 -2.789 1.00 0.00 O ATOM 420 CB ALA A 27 -13.901 -11.255 -4.566 1.00 0.00 C ATOM 0 H ALA A 27 -15.389 -9.312 -4.784 1.00 0.00 H new ATOM 0 HA ALA A 27 -14.033 -10.436 -2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.132 -11.981 -4.302 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.882 -11.726 -4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.735 -10.904 -5.585 1.00 0.00 H new ATOM 426 N VAL A 28 -12.224 -8.557 -4.587 1.00 0.00 N ATOM 427 CA VAL A 28 -10.939 -7.879 -4.713 1.00 0.00 C ATOM 428 C VAL A 28 -10.688 -6.964 -3.513 1.00 0.00 C ATOM 429 O VAL A 28 -9.581 -6.923 -2.977 1.00 0.00 O ATOM 430 CB VAL A 28 -10.850 -7.062 -6.024 1.00 0.00 C ATOM 431 CG1 VAL A 28 -9.478 -6.422 -6.175 1.00 0.00 C ATOM 432 CG2 VAL A 28 -11.156 -7.940 -7.229 1.00 0.00 C ATOM 0 H VAL A 28 -12.914 -8.286 -5.288 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.169 -8.650 -4.740 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.596 -6.269 -5.973 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.442 -5.854 -7.104 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.294 -5.754 -5.334 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.714 -7.199 -6.195 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.088 -7.345 -8.140 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.437 -8.758 -7.275 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -12.163 -8.347 -7.136 1.00 0.00 H new ATOM 442 N ILE A 29 -11.724 -6.244 -3.083 1.00 0.00 N ATOM 443 CA ILE A 29 -11.615 -5.380 -1.908 1.00 0.00 C ATOM 444 C ILE A 29 -11.366 -6.220 -0.657 1.00 0.00 C ATOM 445 O ILE A 29 -10.505 -5.901 0.165 1.00 0.00 O ATOM 446 CB ILE A 29 -12.891 -4.527 -1.702 1.00 0.00 C ATOM 447 CG1 ILE A 29 -13.164 -3.651 -2.931 1.00 0.00 C ATOM 448 CG2 ILE A 29 -12.762 -3.661 -0.455 1.00 0.00 C ATOM 449 CD1 ILE A 29 -14.418 -2.806 -2.807 1.00 0.00 C ATOM 0 H ILE A 29 -12.642 -6.241 -3.527 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.775 -4.706 -2.078 1.00 0.00 H new ATOM 0 HB ILE A 29 -13.733 -5.206 -1.568 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.309 -2.996 -3.097 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.251 -4.290 -3.810 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -13.668 -3.069 -0.328 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.619 -4.299 0.418 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -11.906 -2.995 -0.562 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.548 -2.213 -3.712 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -15.283 -3.456 -2.672 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -14.326 -2.142 -1.948 1.00 0.00 H new ATOM 461 N LYS A 30 -12.119 -7.306 -0.532 1.00 0.00 N ATOM 462 CA LYS A 30 -11.986 -8.214 0.597 1.00 0.00 C ATOM 463 C LYS A 30 -10.589 -8.831 0.641 1.00 0.00 C ATOM 464 O LYS A 30 -9.974 -8.929 1.710 1.00 0.00 O ATOM 465 CB LYS A 30 -13.063 -9.298 0.508 1.00 0.00 C ATOM 466 CG LYS A 30 -12.964 -10.384 1.569 1.00 0.00 C ATOM 467 CD LYS A 30 -14.289 -11.114 1.720 1.00 0.00 C ATOM 468 CE LYS A 30 -14.165 -12.354 2.591 1.00 0.00 C ATOM 469 NZ LYS A 30 -13.614 -13.508 1.832 1.00 0.00 N ATOM 0 H LYS A 30 -12.834 -7.580 -1.206 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.123 -7.654 1.522 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.042 -8.825 0.583 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.009 -9.765 -0.476 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -12.182 -11.093 1.298 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.677 -9.942 2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.026 -10.439 2.155 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.659 -11.399 0.735 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.520 -12.137 3.442 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.144 -12.616 2.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.544 -14.335 2.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.243 -13.731 1.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.669 -13.267 1.471 1.00 0.00 H new ATOM 483 N ALA A 31 -10.090 -9.230 -0.525 1.00 0.00 N ATOM 484 CA ALA A 31 -8.749 -9.792 -0.640 1.00 0.00 C ATOM 485 C ALA A 31 -7.689 -8.753 -0.286 1.00 0.00 C ATOM 486 O ALA A 31 -6.653 -9.082 0.296 1.00 0.00 O ATOM 487 CB ALA A 31 -8.514 -10.332 -2.047 1.00 0.00 C ATOM 0 H ALA A 31 -10.598 -9.174 -1.408 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.667 -10.617 0.068 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.508 -10.747 -2.114 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.244 -11.112 -2.264 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.621 -9.523 -2.770 1.00 0.00 H new ATOM 493 N ALA A 32 -7.962 -7.497 -0.630 1.00 0.00 N ATOM 494 CA ALA A 32 -7.052 -6.401 -0.323 1.00 0.00 C ATOM 495 C ALA A 32 -6.832 -6.291 1.180 1.00 0.00 C ATOM 496 O ALA A 32 -5.700 -6.175 1.641 1.00 0.00 O ATOM 497 CB ALA A 32 -7.584 -5.088 -0.880 1.00 0.00 C ATOM 0 H ALA A 32 -8.809 -7.214 -1.123 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.093 -6.612 -0.797 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.890 -4.283 -0.640 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.687 -5.167 -1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.557 -4.872 -0.437 1.00 0.00 H new ATOM 503 N TYR A 33 -7.919 -6.355 1.945 1.00 0.00 N ATOM 504 CA TYR A 33 -7.826 -6.307 3.401 1.00 0.00 C ATOM 505 C TYR A 33 -7.061 -7.515 3.940 1.00 0.00 C ATOM 506 O TYR A 33 -6.345 -7.412 4.938 1.00 0.00 O ATOM 507 CB TYR A 33 -9.214 -6.243 4.041 1.00 0.00 C ATOM 508 CG TYR A 33 -9.934 -4.932 3.824 1.00 0.00 C ATOM 509 CD1 TYR A 33 -9.402 -3.740 4.301 1.00 0.00 C ATOM 510 CD2 TYR A 33 -11.149 -4.886 3.153 1.00 0.00 C ATOM 511 CE1 TYR A 33 -10.059 -2.541 4.114 1.00 0.00 C ATOM 512 CE2 TYR A 33 -11.810 -3.691 2.961 1.00 0.00 C ATOM 513 CZ TYR A 33 -11.261 -2.523 3.442 1.00 0.00 C ATOM 514 OH TYR A 33 -11.916 -1.331 3.254 1.00 0.00 O ATOM 0 H TYR A 33 -8.869 -6.440 1.583 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.280 -5.401 3.663 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -9.825 -7.051 3.640 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.117 -6.419 5.112 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -8.459 -3.752 4.827 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -11.583 -5.800 2.776 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -9.634 -1.623 4.492 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -12.754 -3.671 2.436 1.00 0.00 H new ATOM 0 HH TYR A 33 -11.262 -0.604 3.198 1.00 0.00 H new ATOM 524 N ARG A 34 -7.210 -8.653 3.269 1.00 0.00 N ATOM 525 CA ARG A 34 -6.504 -9.875 3.651 1.00 0.00 C ATOM 526 C ARG A 34 -4.992 -9.703 3.505 1.00 0.00 C ATOM 527 O ARG A 34 -4.221 -10.304 4.245 1.00 0.00 O ATOM 528 CB ARG A 34 -6.957 -11.051 2.781 1.00 0.00 C ATOM 529 CG ARG A 34 -8.432 -11.415 2.904 1.00 0.00 C ATOM 530 CD ARG A 34 -8.692 -12.404 4.033 1.00 0.00 C ATOM 531 NE ARG A 34 -8.771 -11.769 5.348 1.00 0.00 N ATOM 532 CZ ARG A 34 -9.303 -12.359 6.418 1.00 0.00 C ATOM 533 NH1 ARG A 34 -9.750 -13.610 6.338 1.00 0.00 N ATOM 534 NH2 ARG A 34 -9.379 -11.702 7.567 1.00 0.00 N ATOM 0 H ARG A 34 -7.815 -8.756 2.455 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.741 -10.079 4.695 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.742 -10.816 1.739 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.360 -11.926 3.040 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.014 -10.510 3.076 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.778 -11.842 1.963 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.624 -12.934 3.836 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.897 -13.150 4.044 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.399 -10.825 5.452 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.686 -14.119 5.456 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -10.157 -14.060 7.158 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.030 -10.746 7.632 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.786 -12.153 8.386 1.00 0.00 H new ATOM 548 N GLN A 35 -4.577 -8.887 2.546 1.00 0.00 N ATOM 549 CA GLN A 35 -3.155 -8.680 2.287 1.00 0.00 C ATOM 550 C GLN A 35 -2.613 -7.472 3.045 1.00 0.00 C ATOM 551 O GLN A 35 -1.518 -7.518 3.605 1.00 0.00 O ATOM 552 CB GLN A 35 -2.907 -8.495 0.790 1.00 0.00 C ATOM 553 CG GLN A 35 -3.250 -9.719 -0.041 1.00 0.00 C ATOM 554 CD GLN A 35 -2.397 -10.925 0.313 1.00 0.00 C ATOM 555 OE1 GLN A 35 -1.245 -10.791 0.715 1.00 0.00 O ATOM 556 NE2 GLN A 35 -2.962 -12.115 0.172 1.00 0.00 N ATOM 0 H GLN A 35 -5.200 -8.358 1.936 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.629 -9.568 2.638 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.496 -7.649 0.435 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.858 -8.242 0.633 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.301 -9.968 0.103 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.120 -9.484 -1.097 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.922 -12.187 -0.165 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.437 -12.959 0.400 1.00 0.00 H new ATOM 565 N ILE A 36 -3.373 -6.385 3.054 1.00 0.00 N ATOM 566 CA ILE A 36 -2.918 -5.144 3.669 1.00 0.00 C ATOM 567 C ILE A 36 -2.921 -5.236 5.193 1.00 0.00 C ATOM 568 O ILE A 36 -1.975 -4.803 5.850 1.00 0.00 O ATOM 569 CB ILE A 36 -3.774 -3.938 3.220 1.00 0.00 C ATOM 570 CG1 ILE A 36 -3.696 -3.768 1.699 1.00 0.00 C ATOM 571 CG2 ILE A 36 -3.321 -2.661 3.921 1.00 0.00 C ATOM 572 CD1 ILE A 36 -2.285 -3.599 1.173 1.00 0.00 C ATOM 0 H ILE A 36 -4.306 -6.337 2.644 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.893 -4.989 3.332 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.810 -4.131 3.499 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.150 -4.637 1.222 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.288 -2.900 1.409 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.938 -1.826 3.589 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.423 -2.782 4.999 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.278 -2.462 3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.312 -3.484 0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.834 -2.713 1.620 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.693 -4.477 1.430 1.00 0.00 H new ATOM 584 N PHE A 37 -3.969 -5.811 5.754 1.00 0.00 N ATOM 585 CA PHE A 37 -4.078 -5.909 7.203 1.00 0.00 C ATOM 586 C PHE A 37 -3.917 -7.351 7.673 1.00 0.00 C ATOM 587 O PHE A 37 -3.372 -7.596 8.752 1.00 0.00 O ATOM 588 CB PHE A 37 -5.414 -5.335 7.680 1.00 0.00 C ATOM 589 CG PHE A 37 -5.576 -3.872 7.377 1.00 0.00 C ATOM 590 CD1 PHE A 37 -4.857 -2.922 8.084 1.00 0.00 C ATOM 591 CD2 PHE A 37 -6.447 -3.449 6.386 1.00 0.00 C ATOM 592 CE1 PHE A 37 -5.000 -1.577 7.807 1.00 0.00 C ATOM 593 CE2 PHE A 37 -6.595 -2.103 6.105 1.00 0.00 C ATOM 594 CZ PHE A 37 -5.872 -1.167 6.818 1.00 0.00 C ATOM 0 H PHE A 37 -4.751 -6.214 5.237 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.270 -5.322 7.640 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.227 -5.888 7.210 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.504 -5.488 8.755 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.177 -3.237 8.861 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.016 -4.178 5.827 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.431 -0.847 8.363 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.275 -1.784 5.329 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.989 -0.115 6.602 1.00 0.00 H new ATOM 604 N GLU A 38 -4.396 -8.295 6.858 1.00 0.00 N ATOM 605 CA GLU A 38 -4.310 -9.726 7.174 1.00 0.00 C ATOM 606 C GLU A 38 -5.064 -10.014 8.476 1.00 0.00 C ATOM 607 O GLU A 38 -4.798 -10.993 9.179 1.00 0.00 O ATOM 608 CB GLU A 38 -2.842 -10.156 7.290 1.00 0.00 C ATOM 609 CG GLU A 38 -2.631 -11.659 7.274 1.00 0.00 C ATOM 610 CD GLU A 38 -1.216 -12.042 7.641 1.00 0.00 C ATOM 611 OE1 GLU A 38 -0.361 -12.133 6.737 1.00 0.00 O ATOM 612 OE2 GLU A 38 -0.953 -12.253 8.846 1.00 0.00 O ATOM 0 H GLU A 38 -4.851 -8.093 5.968 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.770 -10.300 6.369 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.279 -9.713 6.469 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.429 -9.752 8.214 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.325 -12.129 7.971 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.865 -12.046 6.282 1.00 0.00 H new ATOM 720 N TYR A 45 -12.266 2.461 13.488 1.00 0.00 N ATOM 721 CA TYR A 45 -11.799 3.270 12.364 1.00 0.00 C ATOM 722 C TYR A 45 -12.938 4.075 11.745 1.00 0.00 C ATOM 723 O TYR A 45 -14.112 3.711 11.853 1.00 0.00 O ATOM 724 CB TYR A 45 -11.152 2.387 11.287 1.00 0.00 C ATOM 725 CG TYR A 45 -11.974 1.173 10.920 1.00 0.00 C ATOM 726 CD1 TYR A 45 -12.968 1.233 9.952 1.00 0.00 C ATOM 727 CD2 TYR A 45 -11.762 -0.030 11.565 1.00 0.00 C ATOM 728 CE1 TYR A 45 -13.727 0.120 9.643 1.00 0.00 C ATOM 729 CE2 TYR A 45 -12.508 -1.147 11.265 1.00 0.00 C ATOM 730 CZ TYR A 45 -13.496 -1.070 10.305 1.00 0.00 C ATOM 731 OH TYR A 45 -14.253 -2.180 10.005 1.00 0.00 O ATOM 0 HA TYR A 45 -11.055 3.964 12.754 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.985 2.986 10.392 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -10.174 2.059 11.638 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -13.151 2.163 9.433 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.994 -0.095 12.321 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -14.497 0.180 8.888 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -12.321 -2.079 11.778 1.00 0.00 H new ATOM 0 HH TYR A 45 -13.962 -2.934 10.559 1.00 0.00 H new ATOM 741 N SER A 46 -12.576 5.175 11.106 1.00 0.00 N ATOM 742 CA SER A 46 -13.535 6.037 10.434 1.00 0.00 C ATOM 743 C SER A 46 -14.294 5.294 9.336 1.00 0.00 C ATOM 744 O SER A 46 -13.771 4.360 8.721 1.00 0.00 O ATOM 745 CB SER A 46 -12.804 7.235 9.821 1.00 0.00 C ATOM 746 OG SER A 46 -13.690 8.057 9.079 1.00 0.00 O ATOM 0 H SER A 46 -11.610 5.496 11.038 1.00 0.00 H new ATOM 0 HA SER A 46 -14.259 6.373 11.177 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.337 7.822 10.612 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.003 6.881 9.171 1.00 0.00 H new ATOM 0 HG SER A 46 -13.195 8.814 8.701 1.00 0.00 H new ATOM 752 N GLN A 47 -15.521 5.733 9.078 1.00 0.00 N ATOM 753 CA GLN A 47 -16.310 5.208 7.973 1.00 0.00 C ATOM 754 C GLN A 47 -15.685 5.585 6.633 1.00 0.00 C ATOM 755 O GLN A 47 -16.107 5.097 5.584 1.00 0.00 O ATOM 756 CB GLN A 47 -17.749 5.719 8.043 1.00 0.00 C ATOM 757 CG GLN A 47 -18.571 5.075 9.147 1.00 0.00 C ATOM 758 CD GLN A 47 -19.992 5.601 9.214 1.00 0.00 C ATOM 759 OE1 GLN A 47 -20.517 6.048 8.083 1.00 0.00 O flip ATOM 760 NE2 GLN A 47 -20.610 5.619 10.281 1.00 0.00 N flip ATOM 0 H GLN A 47 -15.992 6.455 9.623 1.00 0.00 H new ATOM 0 HA GLN A 47 -16.322 4.121 8.058 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -17.735 6.798 8.194 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.237 5.538 7.085 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -18.596 3.996 8.991 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -18.080 5.247 10.105 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -20.171 5.265 11.131 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -21.561 5.987 10.314 1.00 0.00 H new ATOM 769 N SER A 48 -14.674 6.450 6.677 1.00 0.00 N ATOM 770 CA SER A 48 -13.919 6.821 5.489 1.00 0.00 C ATOM 771 C SER A 48 -13.318 5.575 4.835 1.00 0.00 C ATOM 772 O SER A 48 -13.112 5.534 3.625 1.00 0.00 O ATOM 773 CB SER A 48 -12.811 7.816 5.859 1.00 0.00 C ATOM 774 OG SER A 48 -12.130 8.291 4.710 1.00 0.00 O ATOM 0 H SER A 48 -14.359 6.909 7.532 1.00 0.00 H new ATOM 0 HA SER A 48 -14.593 7.297 4.777 1.00 0.00 H new ATOM 0 HB2 SER A 48 -13.243 8.658 6.400 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.100 7.336 6.531 1.00 0.00 H new ATOM 0 HG SER A 48 -11.432 8.923 4.981 1.00 0.00 H new ATOM 780 N ILE A 49 -13.067 4.551 5.647 1.00 0.00 N ATOM 781 CA ILE A 49 -12.547 3.281 5.153 1.00 0.00 C ATOM 782 C ILE A 49 -13.551 2.630 4.200 1.00 0.00 C ATOM 783 O ILE A 49 -13.179 2.078 3.163 1.00 0.00 O ATOM 784 CB ILE A 49 -12.235 2.318 6.323 1.00 0.00 C ATOM 785 CG1 ILE A 49 -11.239 2.961 7.293 1.00 0.00 C ATOM 786 CG2 ILE A 49 -11.690 0.992 5.810 1.00 0.00 C ATOM 787 CD1 ILE A 49 -9.932 3.376 6.650 1.00 0.00 C ATOM 0 H ILE A 49 -13.217 4.578 6.656 1.00 0.00 H new ATOM 0 HA ILE A 49 -11.621 3.483 4.614 1.00 0.00 H new ATOM 0 HB ILE A 49 -13.166 2.120 6.854 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -11.703 3.837 7.746 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -11.028 2.259 8.100 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.479 0.334 6.653 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -12.428 0.523 5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -10.772 1.168 5.249 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.282 3.822 7.402 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.443 2.501 6.221 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -10.129 4.104 5.863 1.00 0.00 H new ATOM 799 N SER A 50 -14.829 2.733 4.549 1.00 0.00 N ATOM 800 CA SER A 50 -15.898 2.196 3.720 1.00 0.00 C ATOM 801 C SER A 50 -16.064 3.064 2.475 1.00 0.00 C ATOM 802 O SER A 50 -16.421 2.583 1.400 1.00 0.00 O ATOM 803 CB SER A 50 -17.207 2.143 4.519 1.00 0.00 C ATOM 804 OG SER A 50 -18.203 1.401 3.839 1.00 0.00 O ATOM 0 H SER A 50 -15.149 3.186 5.405 1.00 0.00 H new ATOM 0 HA SER A 50 -15.643 1.182 3.411 1.00 0.00 H new ATOM 0 HB2 SER A 50 -17.021 1.694 5.495 1.00 0.00 H new ATOM 0 HB3 SER A 50 -17.566 3.156 4.698 1.00 0.00 H new ATOM 0 HG SER A 50 -19.023 1.386 4.376 1.00 0.00 H new ATOM 810 N TYR A 51 -15.782 4.349 2.626 1.00 0.00 N ATOM 811 CA TYR A 51 -15.825 5.275 1.509 1.00 0.00 C ATOM 812 C TYR A 51 -14.726 4.927 0.505 1.00 0.00 C ATOM 813 O TYR A 51 -14.932 4.982 -0.708 1.00 0.00 O ATOM 814 CB TYR A 51 -15.665 6.710 2.019 1.00 0.00 C ATOM 815 CG TYR A 51 -15.822 7.771 0.952 1.00 0.00 C ATOM 816 CD1 TYR A 51 -16.981 7.849 0.190 1.00 0.00 C ATOM 817 CD2 TYR A 51 -14.816 8.700 0.715 1.00 0.00 C ATOM 818 CE1 TYR A 51 -17.130 8.820 -0.779 1.00 0.00 C ATOM 819 CE2 TYR A 51 -14.960 9.677 -0.251 1.00 0.00 C ATOM 820 CZ TYR A 51 -16.120 9.733 -0.996 1.00 0.00 C ATOM 821 OH TYR A 51 -16.270 10.707 -1.959 1.00 0.00 O ATOM 0 H TYR A 51 -15.520 4.774 3.516 1.00 0.00 H new ATOM 0 HA TYR A 51 -16.788 5.194 1.006 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -16.401 6.889 2.803 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -14.681 6.813 2.476 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -17.777 7.139 0.359 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -13.906 8.657 1.296 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -18.035 8.865 -1.366 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -14.169 10.393 -0.422 1.00 0.00 H new ATOM 0 HH TYR A 51 -15.468 11.269 -1.983 1.00 0.00 H new ATOM 831 N LEU A 52 -13.570 4.540 1.024 1.00 0.00 N ATOM 832 CA LEU A 52 -12.445 4.136 0.192 1.00 0.00 C ATOM 833 C LEU A 52 -12.794 2.921 -0.663 1.00 0.00 C ATOM 834 O LEU A 52 -12.520 2.904 -1.865 1.00 0.00 O ATOM 835 CB LEU A 52 -11.222 3.824 1.057 1.00 0.00 C ATOM 836 CG LEU A 52 -10.678 5.002 1.870 1.00 0.00 C ATOM 837 CD1 LEU A 52 -9.488 4.561 2.710 1.00 0.00 C ATOM 838 CD2 LEU A 52 -10.287 6.151 0.951 1.00 0.00 C ATOM 0 H LEU A 52 -13.385 4.497 2.026 1.00 0.00 H new ATOM 0 HA LEU A 52 -12.212 4.969 -0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.479 3.018 1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.427 3.451 0.412 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.464 5.352 2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.112 5.409 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.798 3.771 3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.700 4.187 2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.903 6.979 1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.517 5.816 0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.161 6.482 0.391 1.00 0.00 H new ATOM 850 N GLU A 53 -13.406 1.908 -0.049 1.00 0.00 N ATOM 851 CA GLU A 53 -13.734 0.685 -0.772 1.00 0.00 C ATOM 852 C GLU A 53 -14.795 0.957 -1.839 1.00 0.00 C ATOM 853 O GLU A 53 -14.778 0.347 -2.902 1.00 0.00 O ATOM 854 CB GLU A 53 -14.192 -0.434 0.178 1.00 0.00 C ATOM 855 CG GLU A 53 -15.551 -0.202 0.810 1.00 0.00 C ATOM 856 CD GLU A 53 -15.981 -1.319 1.739 1.00 0.00 C ATOM 857 OE1 GLU A 53 -15.619 -1.284 2.933 1.00 0.00 O ATOM 858 OE2 GLU A 53 -16.700 -2.234 1.286 1.00 0.00 O ATOM 0 H GLU A 53 -13.680 1.911 0.933 1.00 0.00 H new ATOM 0 HA GLU A 53 -12.824 0.342 -1.265 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -14.217 -1.374 -0.373 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -13.451 -0.548 0.970 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -15.530 0.735 1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -16.295 -0.088 0.022 1.00 0.00 H new ATOM 865 N SER A 54 -15.701 1.893 -1.573 1.00 0.00 N ATOM 866 CA SER A 54 -16.720 2.237 -2.552 1.00 0.00 C ATOM 867 C SER A 54 -16.113 3.009 -3.724 1.00 0.00 C ATOM 868 O SER A 54 -16.547 2.851 -4.863 1.00 0.00 O ATOM 869 CB SER A 54 -17.869 3.022 -1.903 1.00 0.00 C ATOM 870 OG SER A 54 -17.397 4.122 -1.144 1.00 0.00 O ATOM 0 H SER A 54 -15.749 2.419 -0.700 1.00 0.00 H new ATOM 0 HA SER A 54 -17.136 1.309 -2.944 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.547 3.380 -2.678 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.444 2.357 -1.259 1.00 0.00 H new ATOM 0 HG SER A 54 -16.449 4.273 -1.342 1.00 0.00 H new ATOM 876 N GLN A 55 -15.087 3.813 -3.457 1.00 0.00 N ATOM 877 CA GLN A 55 -14.441 4.575 -4.520 1.00 0.00 C ATOM 878 C GLN A 55 -13.688 3.649 -5.471 1.00 0.00 C ATOM 879 O GLN A 55 -13.840 3.744 -6.687 1.00 0.00 O ATOM 880 CB GLN A 55 -13.485 5.628 -3.959 1.00 0.00 C ATOM 881 CG GLN A 55 -14.168 6.704 -3.131 1.00 0.00 C ATOM 882 CD GLN A 55 -13.252 7.878 -2.841 1.00 0.00 C ATOM 883 OE1 GLN A 55 -12.516 7.883 -1.857 1.00 0.00 O ATOM 884 NE2 GLN A 55 -13.303 8.891 -3.691 1.00 0.00 N ATOM 0 H GLN A 55 -14.690 3.952 -2.528 1.00 0.00 H new ATOM 0 HA GLN A 55 -15.229 5.088 -5.071 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.735 5.132 -3.343 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.956 6.101 -4.786 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -15.053 7.059 -3.660 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -14.510 6.273 -2.190 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -13.927 8.850 -4.497 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.718 9.713 -3.540 1.00 0.00 H new ATOM 893 N VAL A 56 -12.881 2.750 -4.918 1.00 0.00 N ATOM 894 CA VAL A 56 -12.124 1.808 -5.739 1.00 0.00 C ATOM 895 C VAL A 56 -13.080 0.873 -6.488 1.00 0.00 C ATOM 896 O VAL A 56 -12.837 0.512 -7.638 1.00 0.00 O ATOM 897 CB VAL A 56 -11.105 0.993 -4.896 1.00 0.00 C ATOM 898 CG1 VAL A 56 -11.800 0.119 -3.864 1.00 0.00 C ATOM 899 CG2 VAL A 56 -10.207 0.154 -5.794 1.00 0.00 C ATOM 0 H VAL A 56 -12.734 2.653 -3.913 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.551 2.385 -6.465 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.483 1.708 -4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.054 -0.435 -3.295 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.380 0.746 -3.187 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.465 -0.582 -4.369 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.502 -0.408 -5.181 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.817 -0.539 -6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.658 0.807 -6.472 1.00 0.00 H new ATOM 909 N ARG A 57 -14.192 0.539 -5.841 1.00 0.00 N ATOM 910 CA ARG A 57 -15.210 -0.321 -6.435 1.00 0.00 C ATOM 911 C ARG A 57 -15.794 0.329 -7.687 1.00 0.00 C ATOM 912 O ARG A 57 -15.894 -0.296 -8.745 1.00 0.00 O ATOM 913 CB ARG A 57 -16.318 -0.564 -5.412 1.00 0.00 C ATOM 914 CG ARG A 57 -17.278 -1.683 -5.773 1.00 0.00 C ATOM 915 CD ARG A 57 -18.414 -1.759 -4.767 1.00 0.00 C ATOM 916 NE ARG A 57 -19.174 -3.000 -4.888 1.00 0.00 N ATOM 917 CZ ARG A 57 -20.482 -3.059 -5.129 1.00 0.00 C ATOM 918 NH1 ARG A 57 -21.186 -1.954 -5.338 1.00 0.00 N ATOM 919 NH2 ARG A 57 -21.091 -4.234 -5.162 1.00 0.00 N ATOM 0 H ARG A 57 -14.412 0.854 -4.896 1.00 0.00 H new ATOM 0 HA ARG A 57 -14.755 -1.270 -6.720 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.861 -0.792 -4.449 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -16.886 0.358 -5.286 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -17.681 -1.516 -6.772 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -16.744 -2.633 -5.799 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -18.010 -1.679 -3.758 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -19.082 -0.910 -4.911 1.00 0.00 H new ATOM 0 HE ARG A 57 -18.669 -3.880 -4.781 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -20.726 -1.044 -5.315 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -22.188 -2.014 -5.521 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -20.558 -5.089 -5.003 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -22.093 -4.284 -5.346 1.00 0.00 H new ATOM 933 N ASN A 58 -16.169 1.595 -7.556 1.00 0.00 N ATOM 934 CA ASN A 58 -16.747 2.353 -8.662 1.00 0.00 C ATOM 935 C ASN A 58 -15.688 2.664 -9.716 1.00 0.00 C ATOM 936 O ASN A 58 -16.007 2.921 -10.878 1.00 0.00 O ATOM 937 CB ASN A 58 -17.374 3.657 -8.152 1.00 0.00 C ATOM 938 CG ASN A 58 -18.585 3.429 -7.259 1.00 0.00 C ATOM 939 OD1 ASN A 58 -18.732 2.378 -6.634 1.00 0.00 O ATOM 940 ND2 ASN A 58 -19.456 4.422 -7.179 1.00 0.00 N ATOM 0 H ASN A 58 -16.083 2.123 -6.688 1.00 0.00 H new ATOM 0 HA ASN A 58 -17.526 1.742 -9.118 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -16.624 4.222 -7.599 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.669 4.269 -9.005 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -20.281 4.331 -6.586 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -19.303 5.279 -7.711 1.00 0.00 H new ATOM 947 N GLY A 59 -14.427 2.628 -9.304 1.00 0.00 N ATOM 948 CA GLY A 59 -13.335 2.868 -10.228 1.00 0.00 C ATOM 949 C GLY A 59 -12.776 4.274 -10.124 1.00 0.00 C ATOM 950 O GLY A 59 -12.263 4.817 -11.102 1.00 0.00 O ATOM 0 H GLY A 59 -14.140 2.436 -8.344 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.538 2.150 -10.036 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.682 2.694 -11.247 1.00 0.00 H new ATOM 954 N ASP A 60 -12.872 4.868 -8.946 1.00 0.00 N ATOM 955 CA ASP A 60 -12.336 6.206 -8.724 1.00 0.00 C ATOM 956 C ASP A 60 -10.842 6.148 -8.448 1.00 0.00 C ATOM 957 O ASP A 60 -10.085 7.009 -8.889 1.00 0.00 O ATOM 958 CB ASP A 60 -13.056 6.907 -7.570 1.00 0.00 C ATOM 959 CG ASP A 60 -14.485 7.272 -7.913 1.00 0.00 C ATOM 960 OD1 ASP A 60 -14.685 8.090 -8.839 1.00 0.00 O ATOM 961 OD2 ASP A 60 -15.412 6.739 -7.270 1.00 0.00 O ATOM 0 H ASP A 60 -13.315 4.448 -8.129 1.00 0.00 H new ATOM 0 HA ASP A 60 -12.504 6.783 -9.633 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.051 6.257 -6.695 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.509 7.810 -7.300 1.00 0.00 H new ATOM 966 N ILE A 61 -10.423 5.125 -7.724 1.00 0.00 N ATOM 967 CA ILE A 61 -9.017 4.948 -7.400 1.00 0.00 C ATOM 968 C ILE A 61 -8.553 3.554 -7.803 1.00 0.00 C ATOM 969 O ILE A 61 -9.341 2.610 -7.811 1.00 0.00 O ATOM 970 CB ILE A 61 -8.738 5.162 -5.892 1.00 0.00 C ATOM 971 CG1 ILE A 61 -9.584 4.206 -5.043 1.00 0.00 C ATOM 972 CG2 ILE A 61 -9.011 6.608 -5.501 1.00 0.00 C ATOM 973 CD1 ILE A 61 -9.317 4.306 -3.556 1.00 0.00 C ATOM 0 H ILE A 61 -11.037 4.402 -7.348 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.462 5.701 -7.959 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.687 4.945 -5.704 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -10.639 4.409 -5.227 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.395 3.183 -5.368 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -8.810 6.742 -4.438 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.365 7.269 -6.078 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -10.054 6.850 -5.706 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.953 3.599 -3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.271 4.073 -3.358 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.534 5.318 -3.215 1.00 0.00 H new ATOM 985 N SER A 62 -7.285 3.439 -8.162 1.00 0.00 N ATOM 986 CA SER A 62 -6.704 2.151 -8.510 1.00 0.00 C ATOM 987 C SER A 62 -6.404 1.352 -7.247 1.00 0.00 C ATOM 988 O SER A 62 -6.441 1.895 -6.142 1.00 0.00 O ATOM 989 CB SER A 62 -5.422 2.363 -9.315 1.00 0.00 C ATOM 990 OG SER A 62 -5.665 3.178 -10.446 1.00 0.00 O ATOM 0 H SER A 62 -6.636 4.224 -8.220 1.00 0.00 H new ATOM 0 HA SER A 62 -7.417 1.591 -9.116 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.664 2.827 -8.684 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.025 1.400 -9.635 1.00 0.00 H new ATOM 0 HG SER A 62 -4.831 3.302 -10.945 1.00 0.00 H new ATOM 996 N MET A 63 -6.096 0.069 -7.408 1.00 0.00 N ATOM 997 CA MET A 63 -5.768 -0.781 -6.268 1.00 0.00 C ATOM 998 C MET A 63 -4.506 -0.273 -5.577 1.00 0.00 C ATOM 999 O MET A 63 -4.405 -0.297 -4.353 1.00 0.00 O ATOM 1000 CB MET A 63 -5.592 -2.236 -6.710 1.00 0.00 C ATOM 1001 CG MET A 63 -5.244 -3.185 -5.573 1.00 0.00 C ATOM 1002 SD MET A 63 -6.398 -3.080 -4.190 1.00 0.00 S ATOM 1003 CE MET A 63 -7.955 -3.437 -5.002 1.00 0.00 C ATOM 0 H MET A 63 -6.067 -0.403 -8.312 1.00 0.00 H new ATOM 0 HA MET A 63 -6.594 -0.741 -5.558 1.00 0.00 H new ATOM 0 HB2 MET A 63 -6.512 -2.575 -7.185 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.807 -2.284 -7.464 1.00 0.00 H new ATOM 0 HG2 MET A 63 -5.231 -4.207 -5.951 1.00 0.00 H new ATOM 0 HG3 MET A 63 -4.238 -2.964 -5.217 1.00 0.00 H new ATOM 0 HE1 MET A 63 -8.643 -3.890 -4.288 1.00 0.00 H new ATOM 0 HE2 MET A 63 -8.386 -2.512 -5.385 1.00 0.00 H new ATOM 0 HE3 MET A 63 -7.785 -4.127 -5.828 1.00 0.00 H new ATOM 1013 N LYS A 64 -3.559 0.210 -6.376 1.00 0.00 N ATOM 1014 CA LYS A 64 -2.347 0.827 -5.846 1.00 0.00 C ATOM 1015 C LYS A 64 -2.714 1.994 -4.927 1.00 0.00 C ATOM 1016 O LYS A 64 -2.114 2.190 -3.871 1.00 0.00 O ATOM 1017 CB LYS A 64 -1.470 1.335 -6.995 1.00 0.00 C ATOM 1018 CG LYS A 64 -0.071 1.760 -6.569 1.00 0.00 C ATOM 1019 CD LYS A 64 0.581 2.659 -7.609 1.00 0.00 C ATOM 1020 CE LYS A 64 -0.148 3.990 -7.700 1.00 0.00 C ATOM 1021 NZ LYS A 64 0.402 4.879 -8.758 1.00 0.00 N ATOM 0 H LYS A 64 -3.608 0.186 -7.395 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.794 0.080 -5.276 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.386 0.551 -7.748 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.966 2.181 -7.470 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.124 2.285 -5.615 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.547 0.876 -6.412 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.626 2.828 -7.348 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.571 2.166 -8.581 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.204 3.807 -7.898 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.088 4.498 -6.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.222 5.702 -8.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.351 5.202 -8.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.462 4.355 -9.655 1.00 0.00 H new ATOM 1035 N GLU A 65 -3.730 2.749 -5.330 1.00 0.00 N ATOM 1036 CA GLU A 65 -4.181 3.898 -4.563 1.00 0.00 C ATOM 1037 C GLU A 65 -4.946 3.454 -3.324 1.00 0.00 C ATOM 1038 O GLU A 65 -4.900 4.116 -2.288 1.00 0.00 O ATOM 1039 CB GLU A 65 -5.064 4.805 -5.417 1.00 0.00 C ATOM 1040 CG GLU A 65 -4.330 5.467 -6.567 1.00 0.00 C ATOM 1041 CD GLU A 65 -3.097 6.216 -6.109 1.00 0.00 C ATOM 1042 OE1 GLU A 65 -3.189 6.987 -5.134 1.00 0.00 O ATOM 1043 OE2 GLU A 65 -2.028 6.029 -6.713 1.00 0.00 O ATOM 0 H GLU A 65 -4.257 2.583 -6.187 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.299 4.457 -4.250 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.892 4.219 -5.816 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.497 5.578 -4.782 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.042 4.709 -7.295 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.003 6.157 -7.075 1.00 0.00 H new ATOM 1050 N PHE A 66 -5.654 2.338 -3.438 1.00 0.00 N ATOM 1051 CA PHE A 66 -6.377 1.777 -2.305 1.00 0.00 C ATOM 1052 C PHE A 66 -5.389 1.398 -1.208 1.00 0.00 C ATOM 1053 O PHE A 66 -5.608 1.692 -0.032 1.00 0.00 O ATOM 1054 CB PHE A 66 -7.200 0.562 -2.750 1.00 0.00 C ATOM 1055 CG PHE A 66 -8.178 0.078 -1.714 1.00 0.00 C ATOM 1056 CD1 PHE A 66 -9.125 0.938 -1.182 1.00 0.00 C ATOM 1057 CD2 PHE A 66 -8.157 -1.239 -1.284 1.00 0.00 C ATOM 1058 CE1 PHE A 66 -10.032 0.495 -0.239 1.00 0.00 C ATOM 1059 CE2 PHE A 66 -9.063 -1.687 -0.340 1.00 0.00 C ATOM 1060 CZ PHE A 66 -10.001 -0.819 0.183 1.00 0.00 C ATOM 0 H PHE A 66 -5.743 1.804 -4.303 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.067 2.522 -1.909 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -7.745 0.817 -3.659 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.521 -0.252 -3.003 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.154 1.967 -1.508 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.426 -1.922 -1.690 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -10.765 1.176 0.168 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -9.037 -2.716 -0.012 1.00 0.00 H new ATOM 0 HZ PHE A 66 -10.709 -1.167 0.921 1.00 0.00 H new ATOM 1070 N VAL A 67 -4.285 0.776 -1.614 1.00 0.00 N ATOM 1071 CA VAL A 67 -3.194 0.448 -0.701 1.00 0.00 C ATOM 1072 C VAL A 67 -2.642 1.717 -0.052 1.00 0.00 C ATOM 1073 O VAL A 67 -2.444 1.768 1.162 1.00 0.00 O ATOM 1074 CB VAL A 67 -2.048 -0.295 -1.429 1.00 0.00 C ATOM 1075 CG1 VAL A 67 -0.899 -0.589 -0.472 1.00 0.00 C ATOM 1076 CG2 VAL A 67 -2.560 -1.582 -2.063 1.00 0.00 C ATOM 0 H VAL A 67 -4.122 0.487 -2.579 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.600 -0.210 0.067 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.673 0.353 -2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.105 -1.112 -1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.511 0.347 -0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.258 -1.213 0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.739 -2.089 -2.570 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.966 -2.233 -1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.342 -1.346 -2.785 1.00 0.00 H new ATOM 1086 N ARG A 68 -2.410 2.742 -0.872 1.00 0.00 N ATOM 1087 CA ARG A 68 -1.923 4.035 -0.392 1.00 0.00 C ATOM 1088 C ARG A 68 -2.820 4.582 0.715 1.00 0.00 C ATOM 1089 O ARG A 68 -2.340 4.996 1.770 1.00 0.00 O ATOM 1090 CB ARG A 68 -1.861 5.036 -1.551 1.00 0.00 C ATOM 1091 CG ARG A 68 -1.551 6.461 -1.117 1.00 0.00 C ATOM 1092 CD ARG A 68 -1.616 7.427 -2.290 1.00 0.00 C ATOM 1093 NE ARG A 68 -0.318 8.035 -2.574 1.00 0.00 N ATOM 1094 CZ ARG A 68 0.232 8.094 -3.784 1.00 0.00 C ATOM 1095 NH1 ARG A 68 -0.393 7.591 -4.839 1.00 0.00 N ATOM 1096 NH2 ARG A 68 1.412 8.670 -3.942 1.00 0.00 N ATOM 0 H ARG A 68 -2.553 2.700 -1.881 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.923 3.890 0.016 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.101 4.709 -2.261 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.815 5.026 -2.078 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.260 6.771 -0.349 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.558 6.498 -0.668 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.970 6.898 -3.175 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.343 8.210 -2.074 1.00 0.00 H new ATOM 0 HE ARG A 68 0.200 8.440 -1.794 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.307 7.152 -4.729 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.040 7.643 -5.761 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.897 9.067 -3.138 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.837 8.717 -4.868 1.00 0.00 H new ATOM 1110 N ARG A 69 -4.123 4.571 0.470 1.00 0.00 N ATOM 1111 CA ARG A 69 -5.080 5.113 1.424 1.00 0.00 C ATOM 1112 C ARG A 69 -5.167 4.253 2.681 1.00 0.00 C ATOM 1113 O ARG A 69 -5.308 4.780 3.783 1.00 0.00 O ATOM 1114 CB ARG A 69 -6.464 5.270 0.787 1.00 0.00 C ATOM 1115 CG ARG A 69 -6.671 6.615 0.101 1.00 0.00 C ATOM 1116 CD ARG A 69 -5.757 6.798 -1.099 1.00 0.00 C ATOM 1117 NE ARG A 69 -5.830 8.155 -1.637 1.00 0.00 N ATOM 1118 CZ ARG A 69 -5.937 8.447 -2.932 1.00 0.00 C ATOM 1119 NH1 ARG A 69 -5.964 7.480 -3.839 1.00 0.00 N ATOM 1120 NH2 ARG A 69 -6.008 9.713 -3.320 1.00 0.00 N ATOM 0 H ARG A 69 -4.541 4.193 -0.380 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.721 6.100 1.717 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.612 4.473 0.058 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.225 5.143 1.557 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.709 6.701 -0.220 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.491 7.417 0.817 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.730 6.577 -0.810 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.030 6.084 -1.876 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.797 8.931 -0.976 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.903 6.505 -3.547 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.046 7.711 -4.829 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.981 10.461 -2.627 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.090 9.939 -4.311 1.00 0.00 H new ATOM 1134 N LEU A 70 -5.068 2.938 2.522 1.00 0.00 N ATOM 1135 CA LEU A 70 -5.122 2.031 3.666 1.00 0.00 C ATOM 1136 C LEU A 70 -3.901 2.206 4.562 1.00 0.00 C ATOM 1137 O LEU A 70 -4.008 2.151 5.787 1.00 0.00 O ATOM 1138 CB LEU A 70 -5.230 0.574 3.211 1.00 0.00 C ATOM 1139 CG LEU A 70 -6.538 0.200 2.511 1.00 0.00 C ATOM 1140 CD1 LEU A 70 -6.538 -1.277 2.151 1.00 0.00 C ATOM 1141 CD2 LEU A 70 -7.734 0.533 3.394 1.00 0.00 C ATOM 0 H LEU A 70 -4.951 2.477 1.620 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.014 2.283 4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.402 0.360 2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.106 -0.071 4.081 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.618 0.783 1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.474 -1.530 1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.703 -1.489 1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.437 -1.873 3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.654 0.260 2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.663 -0.024 4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.742 1.602 3.608 1.00 0.00 H new ATOM 1153 N ALA A 71 -2.747 2.428 3.949 1.00 0.00 N ATOM 1154 CA ALA A 71 -1.514 2.643 4.698 1.00 0.00 C ATOM 1155 C ALA A 71 -1.516 4.019 5.359 1.00 0.00 C ATOM 1156 O ALA A 71 -0.846 4.238 6.368 1.00 0.00 O ATOM 1157 CB ALA A 71 -0.307 2.486 3.787 1.00 0.00 C ATOM 0 H ALA A 71 -2.637 2.464 2.936 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.453 1.890 5.484 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.605 2.649 4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.296 1.480 3.367 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.363 3.216 2.979 1.00 0.00 H new ATOM 1163 N LYS A 72 -2.280 4.938 4.784 1.00 0.00 N ATOM 1164 CA LYS A 72 -2.431 6.276 5.343 1.00 0.00 C ATOM 1165 C LYS A 72 -3.467 6.261 6.469 1.00 0.00 C ATOM 1166 O LYS A 72 -3.573 7.209 7.252 1.00 0.00 O ATOM 1167 CB LYS A 72 -2.852 7.255 4.239 1.00 0.00 C ATOM 1168 CG LYS A 72 -2.988 8.696 4.707 1.00 0.00 C ATOM 1169 CD LYS A 72 -3.499 9.600 3.596 1.00 0.00 C ATOM 1170 CE LYS A 72 -3.717 11.022 4.089 1.00 0.00 C ATOM 1171 NZ LYS A 72 -4.730 11.081 5.180 1.00 0.00 N ATOM 0 H LYS A 72 -2.808 4.780 3.926 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.476 6.602 5.756 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.120 7.214 3.433 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -3.804 6.928 3.822 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.670 8.741 5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.021 9.059 5.056 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.785 9.605 2.772 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.435 9.202 3.204 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.772 11.431 4.448 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.041 11.649 3.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.051 12.063 5.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.542 10.480 4.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.305 10.741 6.067 1.00 0.00 H new ATOM 1185 N SER A 73 -4.206 5.165 6.558 1.00 0.00 N ATOM 1186 CA SER A 73 -5.268 5.028 7.540 1.00 0.00 C ATOM 1187 C SER A 73 -4.700 4.771 8.936 1.00 0.00 C ATOM 1188 O SER A 73 -3.641 4.150 9.087 1.00 0.00 O ATOM 1189 CB SER A 73 -6.212 3.897 7.131 1.00 0.00 C ATOM 1190 OG SER A 73 -6.836 4.178 5.888 1.00 0.00 O ATOM 0 H SER A 73 -4.087 4.351 5.955 1.00 0.00 H new ATOM 0 HA SER A 73 -5.826 5.964 7.575 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.656 2.962 7.059 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.972 3.757 7.900 1.00 0.00 H new ATOM 0 HG SER A 73 -6.150 4.319 5.202 1.00 0.00 H new ATOM 1196 N PRO A 74 -5.408 5.253 9.972 1.00 0.00 N ATOM 1197 CA PRO A 74 -4.985 5.132 11.372 1.00 0.00 C ATOM 1198 C PRO A 74 -4.606 3.710 11.771 1.00 0.00 C ATOM 1199 O PRO A 74 -3.605 3.501 12.442 1.00 0.00 O ATOM 1200 CB PRO A 74 -6.214 5.594 12.174 1.00 0.00 C ATOM 1201 CG PRO A 74 -7.327 5.696 11.185 1.00 0.00 C ATOM 1202 CD PRO A 74 -6.678 5.981 9.864 1.00 0.00 C ATOM 0 HA PRO A 74 -4.086 5.721 11.555 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -6.456 4.883 12.964 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.029 6.554 12.655 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -7.901 4.770 11.146 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.021 6.491 11.459 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.281 5.623 9.030 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.522 7.049 9.710 1.00 0.00 H new ATOM 1210 N LEU A 75 -5.390 2.731 11.334 1.00 0.00 N ATOM 1211 CA LEU A 75 -5.187 1.345 11.759 1.00 0.00 C ATOM 1212 C LEU A 75 -3.856 0.772 11.276 1.00 0.00 C ATOM 1213 O LEU A 75 -3.339 -0.170 11.866 1.00 0.00 O ATOM 1214 CB LEU A 75 -6.342 0.459 11.290 1.00 0.00 C ATOM 1215 CG LEU A 75 -7.441 0.218 12.334 1.00 0.00 C ATOM 1216 CD1 LEU A 75 -6.873 -0.502 13.551 1.00 0.00 C ATOM 1217 CD2 LEU A 75 -8.092 1.529 12.750 1.00 0.00 C ATOM 0 H LEU A 75 -6.169 2.867 10.689 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.160 1.354 12.849 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.793 0.913 10.408 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.938 -0.505 10.981 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.205 -0.413 11.881 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.666 -0.664 14.281 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.459 -1.463 13.245 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.087 0.106 13.999 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.867 1.331 13.490 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.339 2.189 13.181 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.537 2.007 11.877 1.00 0.00 H new ATOM 1229 N TYR A 76 -3.299 1.329 10.212 1.00 0.00 N ATOM 1230 CA TYR A 76 -2.002 0.872 9.733 1.00 0.00 C ATOM 1231 C TYR A 76 -0.889 1.581 10.501 1.00 0.00 C ATOM 1232 O TYR A 76 0.059 0.957 10.978 1.00 0.00 O ATOM 1233 CB TYR A 76 -1.856 1.127 8.227 1.00 0.00 C ATOM 1234 CG TYR A 76 -0.712 0.367 7.589 1.00 0.00 C ATOM 1235 CD1 TYR A 76 -0.874 -0.955 7.193 1.00 0.00 C ATOM 1236 CD2 TYR A 76 0.523 0.968 7.377 1.00 0.00 C ATOM 1237 CE1 TYR A 76 0.160 -1.657 6.605 1.00 0.00 C ATOM 1238 CE2 TYR A 76 1.564 0.270 6.789 1.00 0.00 C ATOM 1239 CZ TYR A 76 1.377 -1.042 6.406 1.00 0.00 C ATOM 1240 OH TYR A 76 2.412 -1.744 5.820 1.00 0.00 O ATOM 0 H TYR A 76 -3.716 2.086 9.670 1.00 0.00 H new ATOM 0 HA TYR A 76 -1.926 -0.202 9.903 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.786 0.852 7.729 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.709 2.194 8.061 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.825 -1.442 7.348 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.673 1.995 7.675 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.015 -2.684 6.302 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.518 0.750 6.631 1.00 0.00 H new ATOM 0 HH TYR A 76 2.060 -2.300 5.093 1.00 0.00 H new ATOM 1250 N ARG A 77 -1.039 2.890 10.642 1.00 0.00 N ATOM 1251 CA ARG A 77 -0.023 3.727 11.276 1.00 0.00 C ATOM 1252 C ARG A 77 0.057 3.476 12.782 1.00 0.00 C ATOM 1253 O ARG A 77 1.141 3.319 13.346 1.00 0.00 O ATOM 1254 CB ARG A 77 -0.353 5.199 11.018 1.00 0.00 C ATOM 1255 CG ARG A 77 -0.530 5.521 9.543 1.00 0.00 C ATOM 1256 CD ARG A 77 -1.269 6.831 9.331 1.00 0.00 C ATOM 1257 NE ARG A 77 -0.492 7.999 9.742 1.00 0.00 N ATOM 1258 CZ ARG A 77 -0.607 9.198 9.173 1.00 0.00 C ATOM 1259 NH1 ARG A 77 -1.490 9.392 8.199 1.00 0.00 N ATOM 1260 NH2 ARG A 77 0.146 10.206 9.591 1.00 0.00 N ATOM 0 H ARG A 77 -1.862 3.402 10.323 1.00 0.00 H new ATOM 0 HA ARG A 77 0.945 3.474 10.845 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.266 5.459 11.553 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.444 5.821 11.426 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.448 5.575 9.064 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.078 4.713 9.059 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.530 6.928 8.277 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.204 6.809 9.890 1.00 0.00 H new ATOM 0 HE ARG A 77 0.175 7.890 10.506 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.081 8.622 7.886 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.577 10.311 7.765 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.814 10.064 10.349 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.057 11.124 9.155 1.00 0.00 H new ATOM 1274 N LYS A 78 -1.103 3.412 13.415 1.00 0.00 N ATOM 1275 CA LYS A 78 -1.207 3.333 14.869 1.00 0.00 C ATOM 1276 C LYS A 78 -0.876 1.930 15.380 1.00 0.00 C ATOM 1277 O LYS A 78 -0.664 1.729 16.574 1.00 0.00 O ATOM 1278 CB LYS A 78 -2.631 3.725 15.278 1.00 0.00 C ATOM 1279 CG LYS A 78 -2.833 3.974 16.762 1.00 0.00 C ATOM 1280 CD LYS A 78 -4.267 4.393 17.041 1.00 0.00 C ATOM 1281 CE LYS A 78 -4.467 4.826 18.483 1.00 0.00 C ATOM 1282 NZ LYS A 78 -5.871 5.242 18.736 1.00 0.00 N ATOM 0 H LYS A 78 -2.004 3.413 12.936 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.484 4.017 15.314 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.913 4.626 14.733 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.313 2.935 14.963 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.596 3.071 17.324 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.148 4.750 17.103 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.540 5.212 16.376 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.937 3.563 16.816 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.203 4.006 19.150 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.794 5.652 18.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.974 5.532 19.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.114 6.041 18.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.510 4.445 18.540 1.00 0.00 H new ATOM 1296 N GLN A 79 -0.831 0.959 14.477 1.00 0.00 N ATOM 1297 CA GLN A 79 -0.579 -0.422 14.873 1.00 0.00 C ATOM 1298 C GLN A 79 0.825 -0.889 14.491 1.00 0.00 C ATOM 1299 O GLN A 79 1.522 -1.490 15.305 1.00 0.00 O ATOM 1300 CB GLN A 79 -1.614 -1.364 14.250 1.00 0.00 C ATOM 1301 CG GLN A 79 -3.039 -1.170 14.761 1.00 0.00 C ATOM 1302 CD GLN A 79 -3.283 -1.743 16.150 1.00 0.00 C ATOM 1303 OE1 GLN A 79 -2.277 -1.714 17.012 1.00 0.00 O flip ATOM 1304 NE2 GLN A 79 -4.388 -2.200 16.450 1.00 0.00 N flip ATOM 0 H GLN A 79 -0.964 1.099 13.475 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.661 -0.453 15.959 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.608 -1.225 13.169 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.311 -2.393 14.441 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.267 -0.104 14.774 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.732 -1.636 14.060 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -5.141 -2.207 15.762 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.549 -2.571 17.386 1.00 0.00 H new ATOM 1313 N PHE A 80 1.243 -0.609 13.262 1.00 0.00 N ATOM 1314 CA PHE A 80 2.473 -1.194 12.735 1.00 0.00 C ATOM 1315 C PHE A 80 3.692 -0.285 12.913 1.00 0.00 C ATOM 1316 O PHE A 80 4.827 -0.756 12.848 1.00 0.00 O ATOM 1317 CB PHE A 80 2.295 -1.538 11.252 1.00 0.00 C ATOM 1318 CG PHE A 80 1.219 -2.559 10.987 1.00 0.00 C ATOM 1319 CD1 PHE A 80 1.497 -3.913 11.060 1.00 0.00 C ATOM 1320 CD2 PHE A 80 -0.070 -2.161 10.662 1.00 0.00 C ATOM 1321 CE1 PHE A 80 0.513 -4.852 10.815 1.00 0.00 C ATOM 1322 CE2 PHE A 80 -1.057 -3.096 10.416 1.00 0.00 C ATOM 1323 CZ PHE A 80 -0.766 -4.442 10.492 1.00 0.00 C ATOM 0 H PHE A 80 0.755 0.012 12.617 1.00 0.00 H new ATOM 0 HA PHE A 80 2.664 -2.099 13.312 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.060 -0.626 10.703 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.241 -1.911 10.860 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.495 -4.240 11.312 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -0.304 -1.109 10.601 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.744 -5.905 10.876 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -2.056 -2.773 10.164 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.536 -5.174 10.299 1.00 0.00 H new ATOM 1333 N PHE A 81 3.474 1.002 13.149 1.00 0.00 N ATOM 1334 CA PHE A 81 4.585 1.949 13.206 1.00 0.00 C ATOM 1335 C PHE A 81 5.158 2.082 14.619 1.00 0.00 C ATOM 1336 O PHE A 81 6.255 1.598 14.901 1.00 0.00 O ATOM 1337 CB PHE A 81 4.143 3.320 12.682 1.00 0.00 C ATOM 1338 CG PHE A 81 5.244 4.343 12.649 1.00 0.00 C ATOM 1339 CD1 PHE A 81 6.201 4.315 11.648 1.00 0.00 C ATOM 1340 CD2 PHE A 81 5.324 5.328 13.620 1.00 0.00 C ATOM 1341 CE1 PHE A 81 7.217 5.249 11.614 1.00 0.00 C ATOM 1342 CE2 PHE A 81 6.337 6.266 13.593 1.00 0.00 C ATOM 1343 CZ PHE A 81 7.285 6.226 12.589 1.00 0.00 C ATOM 0 H PHE A 81 2.553 1.412 13.302 1.00 0.00 H new ATOM 0 HA PHE A 81 5.378 1.557 12.569 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.741 3.201 11.676 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.332 3.693 13.308 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.152 3.553 10.884 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.585 5.363 14.407 1.00 0.00 H new ATOM 0 HE1 PHE A 81 7.957 5.216 10.828 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.388 7.029 14.355 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.079 6.958 12.566 1.00 0.00 H new ATOM 1353 N GLU A 82 4.407 2.721 15.505 1.00 0.00 N ATOM 1354 CA GLU A 82 4.929 3.100 16.816 1.00 0.00 C ATOM 1355 C GLU A 82 5.041 1.913 17.787 1.00 0.00 C ATOM 1356 O GLU A 82 6.091 1.742 18.401 1.00 0.00 O ATOM 1357 CB GLU A 82 4.086 4.218 17.432 1.00 0.00 C ATOM 1358 CG GLU A 82 4.682 4.781 18.711 1.00 0.00 C ATOM 1359 CD GLU A 82 3.920 5.976 19.233 1.00 0.00 C ATOM 1360 OE1 GLU A 82 2.932 5.783 19.971 1.00 0.00 O ATOM 1361 OE2 GLU A 82 4.315 7.119 18.918 1.00 0.00 O ATOM 0 H GLU A 82 3.436 2.989 15.343 1.00 0.00 H new ATOM 0 HA GLU A 82 5.943 3.465 16.650 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.975 5.023 16.705 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.086 3.837 17.641 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.696 4.003 19.474 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.718 5.067 18.529 1.00 0.00 H new ATOM 1368 N PRO A 83 3.976 1.083 17.960 1.00 0.00 N ATOM 1369 CA PRO A 83 4.014 -0.066 18.881 1.00 0.00 C ATOM 1370 C PRO A 83 5.264 -0.928 18.716 1.00 0.00 C ATOM 1371 O PRO A 83 5.781 -1.478 19.689 1.00 0.00 O ATOM 1372 CB PRO A 83 2.762 -0.856 18.509 1.00 0.00 C ATOM 1373 CG PRO A 83 1.810 0.180 18.036 1.00 0.00 C ATOM 1374 CD PRO A 83 2.646 1.206 17.316 1.00 0.00 C ATOM 0 HA PRO A 83 4.043 0.256 19.922 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.970 -1.591 17.732 1.00 0.00 H new ATOM 0 HB3 PRO A 83 2.365 -1.401 19.365 1.00 0.00 H new ATOM 0 HG2 PRO A 83 1.061 -0.251 17.371 1.00 0.00 H new ATOM 0 HG3 PRO A 83 1.273 0.629 18.872 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.698 1.003 16.246 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.236 2.210 17.430 1.00 0.00 H new ATOM 1382 N PHE A 84 5.745 -1.040 17.486 1.00 0.00 N ATOM 1383 CA PHE A 84 6.981 -1.754 17.217 1.00 0.00 C ATOM 1384 C PHE A 84 8.170 -0.811 17.361 1.00 0.00 C ATOM 1385 O PHE A 84 8.797 -0.747 18.419 1.00 0.00 O ATOM 1386 CB PHE A 84 6.959 -2.370 15.812 1.00 0.00 C ATOM 1387 CG PHE A 84 5.934 -3.456 15.638 1.00 0.00 C ATOM 1388 CD1 PHE A 84 4.631 -3.152 15.277 1.00 0.00 C ATOM 1389 CD2 PHE A 84 6.278 -4.783 15.833 1.00 0.00 C ATOM 1390 CE1 PHE A 84 3.690 -4.152 15.116 1.00 0.00 C ATOM 1391 CE2 PHE A 84 5.342 -5.786 15.674 1.00 0.00 C ATOM 1392 CZ PHE A 84 4.047 -5.470 15.315 1.00 0.00 C ATOM 0 H PHE A 84 5.297 -0.645 16.659 1.00 0.00 H new ATOM 0 HA PHE A 84 7.078 -2.562 17.942 1.00 0.00 H new ATOM 0 HB2 PHE A 84 6.766 -1.582 15.084 1.00 0.00 H new ATOM 0 HB3 PHE A 84 7.946 -2.776 15.589 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.347 -2.122 15.120 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.290 -5.037 16.113 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.678 -3.902 14.835 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.623 -6.817 15.830 1.00 0.00 H new ATOM 0 HZ PHE A 84 3.314 -6.253 15.190 1.00 0.00 H new ATOM 1402 N ILE A 85 8.449 -0.065 16.296 1.00 0.00 N ATOM 1403 CA ILE A 85 9.543 0.904 16.262 1.00 0.00 C ATOM 1404 C ILE A 85 9.763 1.351 14.816 1.00 0.00 C ATOM 1405 O ILE A 85 9.405 0.626 13.886 1.00 0.00 O ATOM 1406 CB ILE A 85 10.868 0.329 16.849 1.00 0.00 C ATOM 1407 CG1 ILE A 85 11.924 1.432 17.008 1.00 0.00 C ATOM 1408 CG2 ILE A 85 11.411 -0.802 15.985 1.00 0.00 C ATOM 1409 CD1 ILE A 85 11.521 2.524 17.973 1.00 0.00 C ATOM 0 H ILE A 85 7.919 -0.115 15.426 1.00 0.00 H new ATOM 0 HA ILE A 85 9.262 1.751 16.887 1.00 0.00 H new ATOM 0 HB ILE A 85 10.640 -0.076 17.835 1.00 0.00 H new ATOM 0 HG12 ILE A 85 12.857 0.983 17.350 1.00 0.00 H new ATOM 0 HG13 ILE A 85 12.122 1.876 16.033 1.00 0.00 H new ATOM 0 HG21 ILE A 85 12.335 -1.181 16.421 1.00 0.00 H new ATOM 0 HG22 ILE A 85 10.677 -1.606 15.934 1.00 0.00 H new ATOM 0 HG23 ILE A 85 11.610 -0.429 14.980 1.00 0.00 H new ATOM 0 HD11 ILE A 85 12.316 3.267 18.034 1.00 0.00 H new ATOM 0 HD12 ILE A 85 10.605 3.000 17.622 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.351 2.093 18.960 1.00 0.00 H new ATOM 1421 N ASN A 86 10.328 2.540 14.635 1.00 0.00 N ATOM 1422 CA ASN A 86 10.578 3.091 13.301 1.00 0.00 C ATOM 1423 C ASN A 86 11.373 2.104 12.444 1.00 0.00 C ATOM 1424 O ASN A 86 10.997 1.807 11.309 1.00 0.00 O ATOM 1425 CB ASN A 86 11.330 4.425 13.420 1.00 0.00 C ATOM 1426 CG ASN A 86 11.377 5.212 12.120 1.00 0.00 C ATOM 1427 OD1 ASN A 86 11.385 4.648 11.029 1.00 0.00 O ATOM 1428 ND2 ASN A 86 11.407 6.529 12.235 1.00 0.00 N ATOM 0 H ASN A 86 10.625 3.147 15.399 1.00 0.00 H new ATOM 0 HA ASN A 86 9.620 3.266 12.812 1.00 0.00 H new ATOM 0 HB2 ASN A 86 10.853 5.035 14.188 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.349 4.230 13.755 1.00 0.00 H new ATOM 0 HD21 ASN A 86 11.438 7.113 11.400 1.00 0.00 H new ATOM 0 HD22 ASN A 86 11.399 6.961 13.159 1.00 0.00 H new ATOM 1435 N SER A 87 12.446 1.564 13.014 1.00 0.00 N ATOM 1436 CA SER A 87 13.310 0.626 12.305 1.00 0.00 C ATOM 1437 C SER A 87 12.554 -0.632 11.867 1.00 0.00 C ATOM 1438 O SER A 87 12.921 -1.280 10.885 1.00 0.00 O ATOM 1439 CB SER A 87 14.490 0.241 13.195 1.00 0.00 C ATOM 1440 OG SER A 87 15.213 1.391 13.601 1.00 0.00 O ATOM 0 H SER A 87 12.739 1.762 13.971 1.00 0.00 H new ATOM 0 HA SER A 87 13.671 1.122 11.404 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.129 -0.295 14.073 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.151 -0.438 12.656 1.00 0.00 H new ATOM 0 HG SER A 87 15.963 1.121 14.171 1.00 0.00 H new ATOM 1446 N ARG A 88 11.495 -0.972 12.592 1.00 0.00 N ATOM 1447 CA ARG A 88 10.711 -2.154 12.271 1.00 0.00 C ATOM 1448 C ARG A 88 9.651 -1.809 11.234 1.00 0.00 C ATOM 1449 O ARG A 88 9.380 -2.593 10.328 1.00 0.00 O ATOM 1450 CB ARG A 88 10.055 -2.725 13.532 1.00 0.00 C ATOM 1451 CG ARG A 88 9.412 -4.088 13.323 1.00 0.00 C ATOM 1452 CD ARG A 88 10.437 -5.121 12.877 1.00 0.00 C ATOM 1453 NE ARG A 88 11.550 -5.239 13.823 1.00 0.00 N ATOM 1454 CZ ARG A 88 12.796 -5.560 13.475 1.00 0.00 C ATOM 1455 NH1 ARG A 88 13.084 -5.871 12.217 1.00 0.00 N ATOM 1456 NH2 ARG A 88 13.747 -5.602 14.397 1.00 0.00 N ATOM 0 H ARG A 88 11.162 -0.448 13.401 1.00 0.00 H new ATOM 0 HA ARG A 88 11.377 -2.912 11.858 1.00 0.00 H new ATOM 0 HB2 ARG A 88 10.806 -2.804 14.318 1.00 0.00 H new ATOM 0 HB3 ARG A 88 9.297 -2.026 13.885 1.00 0.00 H new ATOM 0 HG2 ARG A 88 8.941 -4.416 14.250 1.00 0.00 H new ATOM 0 HG3 ARG A 88 8.623 -4.009 12.575 1.00 0.00 H new ATOM 0 HD2 ARG A 88 9.950 -6.090 12.768 1.00 0.00 H new ATOM 0 HD3 ARG A 88 10.824 -4.847 11.896 1.00 0.00 H new ATOM 0 HE ARG A 88 11.359 -5.065 14.810 1.00 0.00 H new ATOM 0 HH11 ARG A 88 12.349 -5.865 11.509 1.00 0.00 H new ATOM 0 HH12 ARG A 88 14.040 -6.116 11.958 1.00 0.00 H new ATOM 0 HH21 ARG A 88 13.524 -5.389 15.369 1.00 0.00 H new ATOM 0 HH22 ARG A 88 14.702 -5.847 14.134 1.00 0.00 H new ATOM 1470 N ALA A 89 9.072 -0.621 11.368 1.00 0.00 N ATOM 1471 CA ALA A 89 8.062 -0.145 10.431 1.00 0.00 C ATOM 1472 C ALA A 89 8.652 -0.001 9.036 1.00 0.00 C ATOM 1473 O ALA A 89 8.014 -0.354 8.045 1.00 0.00 O ATOM 1474 CB ALA A 89 7.481 1.177 10.904 1.00 0.00 C ATOM 0 H ALA A 89 9.287 0.033 12.121 1.00 0.00 H new ATOM 0 HA ALA A 89 7.258 -0.880 10.388 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.728 1.519 10.193 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.021 1.043 11.883 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.276 1.919 10.975 1.00 0.00 H new ATOM 1480 N LEU A 90 9.878 0.512 8.972 1.00 0.00 N ATOM 1481 CA LEU A 90 10.601 0.642 7.710 1.00 0.00 C ATOM 1482 C LEU A 90 10.739 -0.721 7.035 1.00 0.00 C ATOM 1483 O LEU A 90 10.466 -0.875 5.845 1.00 0.00 O ATOM 1484 CB LEU A 90 11.989 1.242 7.961 1.00 0.00 C ATOM 1485 CG LEU A 90 12.843 1.468 6.712 1.00 0.00 C ATOM 1486 CD1 LEU A 90 12.240 2.554 5.837 1.00 0.00 C ATOM 1487 CD2 LEU A 90 14.268 1.827 7.100 1.00 0.00 C ATOM 0 H LEU A 90 10.394 0.847 9.785 1.00 0.00 H new ATOM 0 HA LEU A 90 10.039 1.305 7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 90 11.866 2.196 8.474 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.533 0.584 8.638 1.00 0.00 H new ATOM 0 HG LEU A 90 12.863 0.541 6.140 1.00 0.00 H new ATOM 0 HD11 LEU A 90 12.863 2.698 4.955 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.237 2.258 5.529 1.00 0.00 H new ATOM 0 HD13 LEU A 90 12.186 3.486 6.399 1.00 0.00 H new ATOM 0 HD21 LEU A 90 14.862 1.984 6.199 1.00 0.00 H new ATOM 0 HD22 LEU A 90 14.264 2.740 7.696 1.00 0.00 H new ATOM 0 HD23 LEU A 90 14.702 1.015 7.683 1.00 0.00 H new ATOM 1499 N GLU A 91 11.146 -1.707 7.821 1.00 0.00 N ATOM 1500 CA GLU A 91 11.326 -3.066 7.333 1.00 0.00 C ATOM 1501 C GLU A 91 9.990 -3.683 6.924 1.00 0.00 C ATOM 1502 O GLU A 91 9.871 -4.274 5.846 1.00 0.00 O ATOM 1503 CB GLU A 91 12.013 -3.898 8.424 1.00 0.00 C ATOM 1504 CG GLU A 91 12.001 -5.398 8.182 1.00 0.00 C ATOM 1505 CD GLU A 91 11.042 -6.121 9.109 1.00 0.00 C ATOM 1506 OE1 GLU A 91 11.438 -6.436 10.249 1.00 0.00 O ATOM 1507 OE2 GLU A 91 9.890 -6.369 8.705 1.00 0.00 O ATOM 0 H GLU A 91 11.360 -1.588 8.811 1.00 0.00 H new ATOM 0 HA GLU A 91 11.955 -3.052 6.443 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.047 -3.567 8.517 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.526 -3.694 9.378 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.721 -5.595 7.147 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.007 -5.795 8.321 1.00 0.00 H new ATOM 1514 N LEU A 92 8.990 -3.522 7.781 1.00 0.00 N ATOM 1515 CA LEU A 92 7.674 -4.102 7.562 1.00 0.00 C ATOM 1516 C LEU A 92 7.029 -3.520 6.309 1.00 0.00 C ATOM 1517 O LEU A 92 6.563 -4.260 5.443 1.00 0.00 O ATOM 1518 CB LEU A 92 6.791 -3.863 8.800 1.00 0.00 C ATOM 1519 CG LEU A 92 5.453 -4.616 8.833 1.00 0.00 C ATOM 1520 CD1 LEU A 92 4.998 -4.810 10.271 1.00 0.00 C ATOM 1521 CD2 LEU A 92 4.381 -3.871 8.049 1.00 0.00 C ATOM 0 H LEU A 92 9.069 -2.987 8.645 1.00 0.00 H new ATOM 0 HA LEU A 92 7.780 -5.176 7.409 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.362 -4.139 9.687 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.585 -2.795 8.873 1.00 0.00 H new ATOM 0 HG LEU A 92 5.604 -5.589 8.366 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.048 -5.345 10.283 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.746 -5.387 10.815 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.873 -3.838 10.747 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.446 -4.429 8.091 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.234 -2.882 8.483 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.695 -3.768 7.010 1.00 0.00 H new ATOM 1533 N ALA A 93 7.010 -2.198 6.208 1.00 0.00 N ATOM 1534 CA ALA A 93 6.387 -1.526 5.074 1.00 0.00 C ATOM 1535 C ALA A 93 7.102 -1.867 3.772 1.00 0.00 C ATOM 1536 O ALA A 93 6.463 -2.044 2.734 1.00 0.00 O ATOM 1537 CB ALA A 93 6.370 -0.019 5.290 1.00 0.00 C ATOM 0 H ALA A 93 7.419 -1.568 6.898 1.00 0.00 H new ATOM 0 HA ALA A 93 5.359 -1.880 4.998 1.00 0.00 H new ATOM 0 HB1 ALA A 93 5.901 0.466 4.434 1.00 0.00 H new ATOM 0 HB2 ALA A 93 5.805 0.213 6.193 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.392 0.345 5.399 1.00 0.00 H new ATOM 1543 N PHE A 94 8.422 -1.983 3.848 1.00 0.00 N ATOM 1544 CA PHE A 94 9.246 -2.281 2.683 1.00 0.00 C ATOM 1545 C PHE A 94 8.787 -3.575 2.009 1.00 0.00 C ATOM 1546 O PHE A 94 8.391 -3.575 0.843 1.00 0.00 O ATOM 1547 CB PHE A 94 10.709 -2.413 3.107 1.00 0.00 C ATOM 1548 CG PHE A 94 11.676 -1.710 2.198 1.00 0.00 C ATOM 1549 CD1 PHE A 94 12.048 -2.269 0.986 1.00 0.00 C ATOM 1550 CD2 PHE A 94 12.217 -0.492 2.564 1.00 0.00 C ATOM 1551 CE1 PHE A 94 12.942 -1.622 0.155 1.00 0.00 C ATOM 1552 CE2 PHE A 94 13.112 0.162 1.740 1.00 0.00 C ATOM 1553 CZ PHE A 94 13.474 -0.405 0.533 1.00 0.00 C ATOM 0 H PHE A 94 8.949 -1.874 4.714 1.00 0.00 H new ATOM 0 HA PHE A 94 9.143 -1.464 1.969 1.00 0.00 H new ATOM 0 HB2 PHE A 94 10.821 -2.016 4.116 1.00 0.00 H new ATOM 0 HB3 PHE A 94 10.970 -3.470 3.150 1.00 0.00 H new ATOM 0 HD1 PHE A 94 11.634 -3.221 0.688 1.00 0.00 H new ATOM 0 HD2 PHE A 94 11.936 -0.046 3.507 1.00 0.00 H new ATOM 0 HE1 PHE A 94 13.224 -2.067 -0.788 1.00 0.00 H new ATOM 0 HE2 PHE A 94 13.527 1.113 2.038 1.00 0.00 H new ATOM 0 HZ PHE A 94 14.173 0.104 -0.115 1.00 0.00 H new ATOM 1563 N ARG A 95 8.811 -4.666 2.765 1.00 0.00 N ATOM 1564 CA ARG A 95 8.462 -5.980 2.231 1.00 0.00 C ATOM 1565 C ARG A 95 6.958 -6.127 2.028 1.00 0.00 C ATOM 1566 O ARG A 95 6.508 -7.004 1.296 1.00 0.00 O ATOM 1567 CB ARG A 95 8.965 -7.088 3.160 1.00 0.00 C ATOM 1568 CG ARG A 95 8.528 -6.913 4.601 1.00 0.00 C ATOM 1569 CD ARG A 95 8.884 -8.120 5.445 1.00 0.00 C ATOM 1570 NE ARG A 95 8.702 -7.850 6.869 1.00 0.00 N ATOM 1571 CZ ARG A 95 7.822 -8.466 7.651 1.00 0.00 C ATOM 1572 NH1 ARG A 95 7.031 -9.414 7.162 1.00 0.00 N ATOM 1573 NH2 ARG A 95 7.745 -8.131 8.931 1.00 0.00 N ATOM 0 H ARG A 95 9.069 -4.668 3.752 1.00 0.00 H new ATOM 0 HA ARG A 95 8.947 -6.072 1.259 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.605 -8.050 2.794 1.00 0.00 H new ATOM 0 HB3 ARG A 95 10.054 -7.119 3.120 1.00 0.00 H new ATOM 0 HG2 ARG A 95 9.001 -6.024 5.019 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.451 -6.748 4.637 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.263 -8.966 5.152 1.00 0.00 H new ATOM 0 HD3 ARG A 95 9.919 -8.404 5.257 1.00 0.00 H new ATOM 0 HE ARG A 95 9.294 -7.136 7.294 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.096 -9.675 6.178 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.359 -9.881 7.770 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.358 -7.407 9.306 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.073 -8.597 9.541 1.00 0.00 H new ATOM 1587 N HIS A 96 6.180 -5.275 2.676 1.00 0.00 N ATOM 1588 CA HIS A 96 4.728 -5.378 2.598 1.00 0.00 C ATOM 1589 C HIS A 96 4.182 -4.626 1.389 1.00 0.00 C ATOM 1590 O HIS A 96 3.136 -4.980 0.853 1.00 0.00 O ATOM 1591 CB HIS A 96 4.084 -4.853 3.883 1.00 0.00 C ATOM 1592 CG HIS A 96 2.599 -5.034 3.933 1.00 0.00 C ATOM 1593 ND1 HIS A 96 1.736 -4.052 4.365 1.00 0.00 N ATOM 1594 CD2 HIS A 96 1.824 -6.098 3.610 1.00 0.00 C ATOM 1595 CE1 HIS A 96 0.499 -4.502 4.306 1.00 0.00 C ATOM 1596 NE2 HIS A 96 0.525 -5.741 3.851 1.00 0.00 N ATOM 0 H HIS A 96 6.523 -4.510 3.257 1.00 0.00 H new ATOM 0 HA HIS A 96 4.476 -6.432 2.481 1.00 0.00 H new ATOM 0 HB2 HIS A 96 4.531 -5.362 4.737 1.00 0.00 H new ATOM 0 HB3 HIS A 96 4.315 -3.793 3.987 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.167 -7.050 3.233 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -0.387 -3.950 4.583 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -0.290 -6.336 3.703 1.00 0.00 H new ATOM 1605 N ILE A 97 4.882 -3.583 0.975 1.00 0.00 N ATOM 1606 CA ILE A 97 4.444 -2.794 -0.167 1.00 0.00 C ATOM 1607 C ILE A 97 5.199 -3.189 -1.431 1.00 0.00 C ATOM 1608 O ILE A 97 4.593 -3.461 -2.461 1.00 0.00 O ATOM 1609 CB ILE A 97 4.613 -1.279 0.086 1.00 0.00 C ATOM 1610 CG1 ILE A 97 3.792 -0.857 1.310 1.00 0.00 C ATOM 1611 CG2 ILE A 97 4.191 -0.481 -1.145 1.00 0.00 C ATOM 1612 CD1 ILE A 97 3.954 0.603 1.683 1.00 0.00 C ATOM 0 H ILE A 97 5.749 -3.264 1.407 1.00 0.00 H new ATOM 0 HA ILE A 97 3.384 -3.004 -0.307 1.00 0.00 H new ATOM 0 HB ILE A 97 5.665 -1.071 0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.738 -1.058 1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.082 -1.474 2.161 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.317 0.584 -0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.810 -0.769 -1.995 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.145 -0.687 -1.371 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.343 0.825 2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.000 0.806 1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.636 1.229 0.849 1.00 0.00 H new ATOM 1624 N LEU A 98 6.524 -3.245 -1.349 1.00 0.00 N ATOM 1625 CA LEU A 98 7.336 -3.545 -2.523 1.00 0.00 C ATOM 1626 C LEU A 98 7.574 -5.042 -2.668 1.00 0.00 C ATOM 1627 O LEU A 98 8.181 -5.490 -3.641 1.00 0.00 O ATOM 1628 CB LEU A 98 8.679 -2.814 -2.457 1.00 0.00 C ATOM 1629 CG LEU A 98 8.596 -1.287 -2.440 1.00 0.00 C ATOM 1630 CD1 LEU A 98 9.983 -0.682 -2.567 1.00 0.00 C ATOM 1631 CD2 LEU A 98 7.692 -0.785 -3.556 1.00 0.00 C ATOM 0 H LEU A 98 7.054 -3.088 -0.492 1.00 0.00 H new ATOM 0 HA LEU A 98 6.783 -3.197 -3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.208 -3.142 -1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.281 -3.118 -3.313 1.00 0.00 H new ATOM 0 HG LEU A 98 8.167 -0.976 -1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 98 9.908 0.405 -2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.602 -1.014 -1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 98 10.435 -1.003 -3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.647 0.304 -3.526 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.090 -1.105 -4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.690 -1.193 -3.424 1.00 0.00 H new ATOM 1643 N GLY A 99 7.119 -5.805 -1.686 1.00 0.00 N ATOM 1644 CA GLY A 99 7.265 -7.248 -1.735 1.00 0.00 C ATOM 1645 C GLY A 99 8.612 -7.719 -1.216 1.00 0.00 C ATOM 1646 O GLY A 99 8.728 -8.815 -0.669 1.00 0.00 O ATOM 0 H GLY A 99 6.649 -5.451 -0.853 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.472 -7.709 -1.146 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.138 -7.587 -2.763 1.00 0.00 H new ATOM 1650 N ARG A 100 9.631 -6.888 -1.382 1.00 0.00 N ATOM 1651 CA ARG A 100 10.981 -7.237 -0.969 1.00 0.00 C ATOM 1652 C ARG A 100 11.402 -6.407 0.236 1.00 0.00 C ATOM 1653 O ARG A 100 11.227 -5.190 0.245 1.00 0.00 O ATOM 1654 CB ARG A 100 11.956 -7.013 -2.127 1.00 0.00 C ATOM 1655 CG ARG A 100 13.375 -7.474 -1.832 1.00 0.00 C ATOM 1656 CD ARG A 100 14.307 -7.210 -3.003 1.00 0.00 C ATOM 1657 NE ARG A 100 13.806 -7.796 -4.246 1.00 0.00 N ATOM 1658 CZ ARG A 100 14.309 -8.890 -4.816 1.00 0.00 C ATOM 1659 NH1 ARG A 100 15.336 -9.529 -4.266 1.00 0.00 N ATOM 1660 NH2 ARG A 100 13.787 -9.343 -5.948 1.00 0.00 N ATOM 0 H ARG A 100 9.547 -5.962 -1.802 1.00 0.00 H new ATOM 0 HA ARG A 100 10.998 -8.290 -0.687 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.588 -7.541 -3.007 1.00 0.00 H new ATOM 0 HB3 ARG A 100 11.973 -5.952 -2.376 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.748 -6.959 -0.947 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.371 -8.540 -1.603 1.00 0.00 H new ATOM 0 HD2 ARG A 100 14.430 -6.135 -3.133 1.00 0.00 H new ATOM 0 HD3 ARG A 100 15.293 -7.619 -2.781 1.00 0.00 H new ATOM 0 HE ARG A 100 13.020 -7.337 -4.707 1.00 0.00 H new ATOM 0 HH11 ARG A 100 15.747 -9.183 -3.399 1.00 0.00 H new ATOM 0 HH12 ARG A 100 15.713 -10.366 -4.711 1.00 0.00 H new ATOM 0 HH21 ARG A 100 13.003 -8.854 -6.380 1.00 0.00 H new ATOM 0 HH22 ARG A 100 14.170 -10.180 -6.387 1.00 0.00 H new ATOM 1674 N GLY A 101 11.926 -7.071 1.258 1.00 0.00 N ATOM 1675 CA GLY A 101 12.418 -6.365 2.427 1.00 0.00 C ATOM 1676 C GLY A 101 13.760 -5.704 2.173 1.00 0.00 C ATOM 1677 O GLY A 101 14.424 -6.013 1.179 1.00 0.00 O ATOM 0 H GLY A 101 12.020 -8.086 1.299 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.692 -5.608 2.725 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.510 -7.063 3.259 1.00 0.00 H new ATOM 1681 N PRO A 102 14.191 -4.803 3.072 1.00 0.00 N ATOM 1682 CA PRO A 102 15.454 -4.063 2.926 1.00 0.00 C ATOM 1683 C PRO A 102 16.656 -4.990 2.766 1.00 0.00 C ATOM 1684 O PRO A 102 16.887 -5.885 3.589 1.00 0.00 O ATOM 1685 CB PRO A 102 15.566 -3.262 4.230 1.00 0.00 C ATOM 1686 CG PRO A 102 14.591 -3.888 5.168 1.00 0.00 C ATOM 1687 CD PRO A 102 13.490 -4.441 4.310 1.00 0.00 C ATOM 0 HA PRO A 102 15.452 -3.440 2.032 1.00 0.00 H new ATOM 0 HB2 PRO A 102 16.579 -3.305 4.631 1.00 0.00 H new ATOM 0 HB3 PRO A 102 15.332 -2.210 4.066 1.00 0.00 H new ATOM 0 HG2 PRO A 102 15.064 -4.677 5.753 1.00 0.00 H new ATOM 0 HG3 PRO A 102 14.204 -3.155 5.875 1.00 0.00 H new ATOM 0 HD2 PRO A 102 13.013 -5.305 4.772 1.00 0.00 H new ATOM 0 HD3 PRO A 102 12.708 -3.703 4.131 1.00 0.00 H new ATOM 1695 N SER A 103 17.410 -4.775 1.702 1.00 0.00 N ATOM 1696 CA SER A 103 18.536 -5.628 1.371 1.00 0.00 C ATOM 1697 C SER A 103 19.867 -4.922 1.629 1.00 0.00 C ATOM 1698 O SER A 103 20.749 -5.461 2.297 1.00 0.00 O ATOM 1699 CB SER A 103 18.446 -6.043 -0.098 1.00 0.00 C ATOM 1700 OG SER A 103 17.136 -6.485 -0.415 1.00 0.00 O ATOM 0 H SER A 103 17.259 -4.008 1.047 1.00 0.00 H new ATOM 0 HA SER A 103 18.495 -6.510 2.010 1.00 0.00 H new ATOM 0 HB2 SER A 103 18.715 -5.201 -0.736 1.00 0.00 H new ATOM 0 HB3 SER A 103 19.163 -6.839 -0.301 1.00 0.00 H new ATOM 0 HG SER A 103 17.098 -6.745 -1.359 1.00 0.00 H new ATOM 1706 N SER A 104 20.002 -3.710 1.107 1.00 0.00 N ATOM 1707 CA SER A 104 21.260 -2.978 1.192 1.00 0.00 C ATOM 1708 C SER A 104 21.197 -1.910 2.275 1.00 0.00 C ATOM 1709 O SER A 104 20.142 -1.329 2.517 1.00 0.00 O ATOM 1710 CB SER A 104 21.586 -2.333 -0.161 1.00 0.00 C ATOM 1711 OG SER A 104 22.793 -1.591 -0.103 1.00 0.00 O ATOM 0 H SER A 104 19.256 -3.213 0.620 1.00 0.00 H new ATOM 0 HA SER A 104 22.048 -3.684 1.453 1.00 0.00 H new ATOM 0 HB2 SER A 104 21.669 -3.107 -0.924 1.00 0.00 H new ATOM 0 HB3 SER A 104 20.768 -1.677 -0.460 1.00 0.00 H new ATOM 0 HG SER A 104 22.975 -1.193 -0.980 1.00 0.00 H new ATOM 1717 N ARG A 105 22.329 -1.650 2.920 1.00 0.00 N ATOM 1718 CA ARG A 105 22.402 -0.603 3.933 1.00 0.00 C ATOM 1719 C ARG A 105 22.173 0.762 3.299 1.00 0.00 C ATOM 1720 O ARG A 105 21.564 1.639 3.907 1.00 0.00 O ATOM 1721 CB ARG A 105 23.750 -0.628 4.655 1.00 0.00 C ATOM 1722 CG ARG A 105 23.658 -1.100 6.097 1.00 0.00 C ATOM 1723 CD ARG A 105 22.904 -0.105 6.968 1.00 0.00 C ATOM 1724 NE ARG A 105 22.614 -0.653 8.292 1.00 0.00 N ATOM 1725 CZ ARG A 105 22.409 0.078 9.389 1.00 0.00 C ATOM 1726 NH1 ARG A 105 22.499 1.401 9.353 1.00 0.00 N ATOM 1727 NH2 ARG A 105 22.134 -0.529 10.535 1.00 0.00 N ATOM 0 H ARG A 105 23.205 -2.147 2.761 1.00 0.00 H new ATOM 0 HA ARG A 105 21.619 -0.790 4.668 1.00 0.00 H new ATOM 0 HB2 ARG A 105 24.433 -1.281 4.111 1.00 0.00 H new ATOM 0 HB3 ARG A 105 24.182 0.373 4.636 1.00 0.00 H new ATOM 0 HG2 ARG A 105 23.157 -2.067 6.132 1.00 0.00 H new ATOM 0 HG3 ARG A 105 24.661 -1.246 6.497 1.00 0.00 H new ATOM 0 HD2 ARG A 105 23.493 0.806 7.073 1.00 0.00 H new ATOM 0 HD3 ARG A 105 21.971 0.173 6.478 1.00 0.00 H new ATOM 0 HE ARG A 105 22.565 -1.668 8.384 1.00 0.00 H new ATOM 0 HH11 ARG A 105 22.728 1.873 8.478 1.00 0.00 H new ATOM 0 HH12 ARG A 105 22.339 1.946 10.200 1.00 0.00 H new ATOM 0 HH21 ARG A 105 22.081 -1.547 10.573 1.00 0.00 H new ATOM 0 HH22 ARG A 105 21.976 0.022 11.379 1.00 0.00 H new ATOM 1741 N GLU A 106 22.655 0.928 2.070 1.00 0.00 N ATOM 1742 CA GLU A 106 22.418 2.155 1.321 1.00 0.00 C ATOM 1743 C GLU A 106 20.926 2.315 1.067 1.00 0.00 C ATOM 1744 O GLU A 106 20.368 3.399 1.223 1.00 0.00 O ATOM 1745 CB GLU A 106 23.182 2.128 -0.006 1.00 0.00 C ATOM 1746 CG GLU A 106 23.010 3.389 -0.836 1.00 0.00 C ATOM 1747 CD GLU A 106 23.772 3.335 -2.142 1.00 0.00 C ATOM 1748 OE1 GLU A 106 23.206 2.857 -3.148 1.00 0.00 O ATOM 1749 OE2 GLU A 106 24.941 3.775 -2.166 1.00 0.00 O ATOM 0 H GLU A 106 23.210 0.230 1.575 1.00 0.00 H new ATOM 0 HA GLU A 106 22.776 3.003 1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 106 24.242 1.980 0.198 1.00 0.00 H new ATOM 0 HB3 GLU A 106 22.847 1.271 -0.590 1.00 0.00 H new ATOM 0 HG2 GLU A 106 21.951 3.541 -1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 106 23.348 4.249 -0.258 1.00 0.00 H new ATOM 1756 N GLU A 107 20.295 1.211 0.695 1.00 0.00 N ATOM 1757 CA GLU A 107 18.856 1.162 0.479 1.00 0.00 C ATOM 1758 C GLU A 107 18.111 1.502 1.772 1.00 0.00 C ATOM 1759 O GLU A 107 17.191 2.322 1.777 1.00 0.00 O ATOM 1760 CB GLU A 107 18.481 -0.236 -0.013 1.00 0.00 C ATOM 1761 CG GLU A 107 17.000 -0.455 -0.254 1.00 0.00 C ATOM 1762 CD GLU A 107 16.710 -1.876 -0.688 1.00 0.00 C ATOM 1763 OE1 GLU A 107 16.926 -2.799 0.126 1.00 0.00 O ATOM 1764 OE2 GLU A 107 16.299 -2.078 -1.847 1.00 0.00 O ATOM 0 H GLU A 107 20.768 0.322 0.534 1.00 0.00 H new ATOM 0 HA GLU A 107 18.569 1.899 -0.272 1.00 0.00 H new ATOM 0 HB2 GLU A 107 19.018 -0.434 -0.941 1.00 0.00 H new ATOM 0 HB3 GLU A 107 18.827 -0.967 0.718 1.00 0.00 H new ATOM 0 HG2 GLU A 107 16.446 -0.232 0.658 1.00 0.00 H new ATOM 0 HG3 GLU A 107 16.649 0.238 -1.018 1.00 0.00 H new ATOM 1771 N VAL A 108 18.536 0.879 2.871 1.00 0.00 N ATOM 1772 CA VAL A 108 17.944 1.135 4.180 1.00 0.00 C ATOM 1773 C VAL A 108 18.057 2.611 4.545 1.00 0.00 C ATOM 1774 O VAL A 108 17.054 3.258 4.826 1.00 0.00 O ATOM 1775 CB VAL A 108 18.604 0.281 5.288 1.00 0.00 C ATOM 1776 CG1 VAL A 108 18.058 0.652 6.663 1.00 0.00 C ATOM 1777 CG2 VAL A 108 18.388 -1.199 5.019 1.00 0.00 C ATOM 0 H VAL A 108 19.290 0.192 2.879 1.00 0.00 H new ATOM 0 HA VAL A 108 16.893 0.856 4.112 1.00 0.00 H new ATOM 0 HB VAL A 108 19.674 0.487 5.279 1.00 0.00 H new ATOM 0 HG11 VAL A 108 18.539 0.037 7.424 1.00 0.00 H new ATOM 0 HG12 VAL A 108 18.263 1.704 6.864 1.00 0.00 H new ATOM 0 HG13 VAL A 108 16.982 0.481 6.685 1.00 0.00 H new ATOM 0 HG21 VAL A 108 18.859 -1.785 5.808 1.00 0.00 H new ATOM 0 HG22 VAL A 108 17.319 -1.413 4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 108 18.831 -1.463 4.058 1.00 0.00 H new ATOM 1787 N GLN A 109 19.274 3.143 4.507 1.00 0.00 N ATOM 1788 CA GLN A 109 19.522 4.534 4.886 1.00 0.00 C ATOM 1789 C GLN A 109 18.801 5.505 3.954 1.00 0.00 C ATOM 1790 O GLN A 109 18.390 6.592 4.371 1.00 0.00 O ATOM 1791 CB GLN A 109 21.021 4.829 4.887 1.00 0.00 C ATOM 1792 CG GLN A 109 21.781 4.082 5.967 1.00 0.00 C ATOM 1793 CD GLN A 109 21.253 4.376 7.356 1.00 0.00 C ATOM 1794 OE1 GLN A 109 20.369 3.682 7.858 1.00 0.00 O ATOM 1795 NE2 GLN A 109 21.789 5.407 7.986 1.00 0.00 N ATOM 0 H GLN A 109 20.108 2.632 4.217 1.00 0.00 H new ATOM 0 HA GLN A 109 19.129 4.675 5.893 1.00 0.00 H new ATOM 0 HB2 GLN A 109 21.436 4.567 3.914 1.00 0.00 H new ATOM 0 HB3 GLN A 109 21.173 5.900 5.021 1.00 0.00 H new ATOM 0 HG2 GLN A 109 21.717 3.011 5.777 1.00 0.00 H new ATOM 0 HG3 GLN A 109 22.836 4.352 5.918 1.00 0.00 H new ATOM 0 HE21 GLN A 109 22.520 5.957 7.534 1.00 0.00 H new ATOM 0 HE22 GLN A 109 21.472 5.653 8.924 1.00 0.00 H new ATOM 1804 N LYS A 110 18.648 5.104 2.699 1.00 0.00 N ATOM 1805 CA LYS A 110 17.966 5.917 1.700 1.00 0.00 C ATOM 1806 C LYS A 110 16.525 6.186 2.116 1.00 0.00 C ATOM 1807 O LYS A 110 16.044 7.313 2.035 1.00 0.00 O ATOM 1808 CB LYS A 110 18.002 5.205 0.344 1.00 0.00 C ATOM 1809 CG LYS A 110 17.419 6.011 -0.802 1.00 0.00 C ATOM 1810 CD LYS A 110 17.505 5.235 -2.106 1.00 0.00 C ATOM 1811 CE LYS A 110 17.007 6.051 -3.287 1.00 0.00 C ATOM 1812 NZ LYS A 110 17.143 5.305 -4.565 1.00 0.00 N ATOM 0 H LYS A 110 18.991 4.211 2.346 1.00 0.00 H new ATOM 0 HA LYS A 110 18.480 6.875 1.617 1.00 0.00 H new ATOM 0 HB2 LYS A 110 19.036 4.954 0.107 1.00 0.00 H new ATOM 0 HB3 LYS A 110 17.456 4.265 0.426 1.00 0.00 H new ATOM 0 HG2 LYS A 110 16.379 6.257 -0.588 1.00 0.00 H new ATOM 0 HG3 LYS A 110 17.956 6.955 -0.899 1.00 0.00 H new ATOM 0 HD2 LYS A 110 18.538 4.935 -2.282 1.00 0.00 H new ATOM 0 HD3 LYS A 110 16.917 4.321 -2.023 1.00 0.00 H new ATOM 0 HE2 LYS A 110 15.962 6.318 -3.130 1.00 0.00 H new ATOM 0 HE3 LYS A 110 17.568 6.983 -3.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 16.793 5.892 -5.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 18.144 5.072 -4.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 16.587 4.427 -4.516 1.00 0.00 H new ATOM 1826 N TYR A 111 15.845 5.149 2.581 1.00 0.00 N ATOM 1827 CA TYR A 111 14.456 5.281 2.993 1.00 0.00 C ATOM 1828 C TYR A 111 14.344 5.650 4.471 1.00 0.00 C ATOM 1829 O TYR A 111 13.360 6.259 4.892 1.00 0.00 O ATOM 1830 CB TYR A 111 13.691 3.990 2.700 1.00 0.00 C ATOM 1831 CG TYR A 111 13.440 3.771 1.225 1.00 0.00 C ATOM 1832 CD1 TYR A 111 14.401 3.184 0.412 1.00 0.00 C ATOM 1833 CD2 TYR A 111 12.240 4.159 0.648 1.00 0.00 C ATOM 1834 CE1 TYR A 111 14.172 2.989 -0.934 1.00 0.00 C ATOM 1835 CE2 TYR A 111 12.002 3.968 -0.697 1.00 0.00 C ATOM 1836 CZ TYR A 111 12.971 3.383 -1.484 1.00 0.00 C ATOM 1837 OH TYR A 111 12.737 3.191 -2.824 1.00 0.00 O ATOM 0 H TYR A 111 16.231 4.210 2.682 1.00 0.00 H new ATOM 0 HA TYR A 111 14.010 6.092 2.417 1.00 0.00 H new ATOM 0 HB2 TYR A 111 14.253 3.144 3.096 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.736 4.013 3.225 1.00 0.00 H new ATOM 0 HD1 TYR A 111 15.343 2.875 0.841 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.479 4.618 1.262 1.00 0.00 H new ATOM 0 HE1 TYR A 111 14.929 2.531 -1.553 1.00 0.00 H new ATOM 0 HE2 TYR A 111 11.062 4.275 -1.131 1.00 0.00 H new ATOM 0 HH TYR A 111 11.843 3.523 -3.051 1.00 0.00 H new ATOM 1847 N PHE A 112 15.359 5.292 5.251 1.00 0.00 N ATOM 1848 CA PHE A 112 15.390 5.620 6.674 1.00 0.00 C ATOM 1849 C PHE A 112 15.407 7.130 6.871 1.00 0.00 C ATOM 1850 O PHE A 112 14.739 7.659 7.756 1.00 0.00 O ATOM 1851 CB PHE A 112 16.614 4.990 7.348 1.00 0.00 C ATOM 1852 CG PHE A 112 16.664 5.192 8.839 1.00 0.00 C ATOM 1853 CD1 PHE A 112 15.865 4.434 9.680 1.00 0.00 C ATOM 1854 CD2 PHE A 112 17.513 6.135 9.399 1.00 0.00 C ATOM 1855 CE1 PHE A 112 15.911 4.614 11.050 1.00 0.00 C ATOM 1856 CE2 PHE A 112 17.563 6.318 10.768 1.00 0.00 C ATOM 1857 CZ PHE A 112 16.760 5.556 11.595 1.00 0.00 C ATOM 0 H PHE A 112 16.173 4.773 4.922 1.00 0.00 H new ATOM 0 HA PHE A 112 14.490 5.214 7.136 1.00 0.00 H new ATOM 0 HB2 PHE A 112 16.622 3.921 7.136 1.00 0.00 H new ATOM 0 HB3 PHE A 112 17.517 5.410 6.904 1.00 0.00 H new ATOM 0 HD1 PHE A 112 15.199 3.694 9.261 1.00 0.00 H new ATOM 0 HD2 PHE A 112 18.143 6.734 8.757 1.00 0.00 H new ATOM 0 HE1 PHE A 112 15.282 4.017 11.694 1.00 0.00 H new ATOM 0 HE2 PHE A 112 18.229 7.056 11.191 1.00 0.00 H new ATOM 0 HZ PHE A 112 16.797 5.697 12.665 1.00 0.00 H new ATOM 1867 N SER A 113 16.158 7.825 6.029 1.00 0.00 N ATOM 1868 CA SER A 113 16.223 9.273 6.096 1.00 0.00 C ATOM 1869 C SER A 113 14.900 9.895 5.639 1.00 0.00 C ATOM 1870 O SER A 113 14.558 11.010 6.031 1.00 0.00 O ATOM 1871 CB SER A 113 17.389 9.778 5.248 1.00 0.00 C ATOM 1872 OG SER A 113 17.398 9.143 3.981 1.00 0.00 O ATOM 0 H SER A 113 16.729 7.408 5.294 1.00 0.00 H new ATOM 0 HA SER A 113 16.390 9.573 7.130 1.00 0.00 H new ATOM 0 HB2 SER A 113 17.311 10.857 5.119 1.00 0.00 H new ATOM 0 HB3 SER A 113 18.330 9.586 5.763 1.00 0.00 H new ATOM 0 HG SER A 113 17.876 8.290 4.046 1.00 0.00 H new ATOM 1878 N ILE A 114 14.150 9.155 4.823 1.00 0.00 N ATOM 1879 CA ILE A 114 12.847 9.609 4.353 1.00 0.00 C ATOM 1880 C ILE A 114 11.814 9.519 5.474 1.00 0.00 C ATOM 1881 O ILE A 114 11.089 10.477 5.741 1.00 0.00 O ATOM 1882 CB ILE A 114 12.362 8.790 3.135 1.00 0.00 C ATOM 1883 CG1 ILE A 114 13.345 8.943 1.972 1.00 0.00 C ATOM 1884 CG2 ILE A 114 10.966 9.233 2.715 1.00 0.00 C ATOM 1885 CD1 ILE A 114 12.976 8.132 0.748 1.00 0.00 C ATOM 0 H ILE A 114 14.426 8.237 4.475 1.00 0.00 H new ATOM 0 HA ILE A 114 12.958 10.648 4.043 1.00 0.00 H new ATOM 0 HB ILE A 114 12.317 7.738 3.418 1.00 0.00 H new ATOM 0 HG12 ILE A 114 13.404 9.995 1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 114 14.339 8.646 2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 114 10.641 8.646 1.856 1.00 0.00 H new ATOM 0 HG22 ILE A 114 10.272 9.082 3.542 1.00 0.00 H new ATOM 0 HG23 ILE A 114 10.985 10.289 2.446 1.00 0.00 H new ATOM 0 HD11 ILE A 114 13.720 8.293 -0.033 1.00 0.00 H new ATOM 0 HD12 ILE A 114 12.946 7.074 1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 114 11.997 8.445 0.386 1.00 0.00 H new ATOM 1897 N VAL A 115 11.768 8.373 6.147 1.00 0.00 N ATOM 1898 CA VAL A 115 10.830 8.174 7.249 1.00 0.00 C ATOM 1899 C VAL A 115 11.235 9.020 8.462 1.00 0.00 C ATOM 1900 O VAL A 115 10.403 9.386 9.293 1.00 0.00 O ATOM 1901 CB VAL A 115 10.715 6.677 7.645 1.00 0.00 C ATOM 1902 CG1 VAL A 115 12.025 6.145 8.205 1.00 0.00 C ATOM 1903 CG2 VAL A 115 9.575 6.462 8.632 1.00 0.00 C ATOM 0 H VAL A 115 12.366 7.571 5.950 1.00 0.00 H new ATOM 0 HA VAL A 115 9.848 8.500 6.905 1.00 0.00 H new ATOM 0 HB VAL A 115 10.492 6.114 6.739 1.00 0.00 H new ATOM 0 HG11 VAL A 115 11.907 5.095 8.471 1.00 0.00 H new ATOM 0 HG12 VAL A 115 12.808 6.243 7.454 1.00 0.00 H new ATOM 0 HG13 VAL A 115 12.300 6.716 9.092 1.00 0.00 H new ATOM 0 HG21 VAL A 115 9.515 5.406 8.894 1.00 0.00 H new ATOM 0 HG22 VAL A 115 9.757 7.049 9.532 1.00 0.00 H new ATOM 0 HG23 VAL A 115 8.636 6.777 8.177 1.00 0.00 H new ATOM 1913 N SER A 116 12.517 9.346 8.551 1.00 0.00 N ATOM 1914 CA SER A 116 13.003 10.235 9.592 1.00 0.00 C ATOM 1915 C SER A 116 12.609 11.681 9.277 1.00 0.00 C ATOM 1916 O SER A 116 12.381 12.489 10.180 1.00 0.00 O ATOM 1917 CB SER A 116 14.525 10.103 9.728 1.00 0.00 C ATOM 1918 OG SER A 116 15.026 10.873 10.810 1.00 0.00 O ATOM 0 H SER A 116 13.238 9.007 7.914 1.00 0.00 H new ATOM 0 HA SER A 116 12.547 9.955 10.541 1.00 0.00 H new ATOM 0 HB2 SER A 116 14.787 9.055 9.875 1.00 0.00 H new ATOM 0 HB3 SER A 116 15.002 10.424 8.802 1.00 0.00 H new ATOM 0 HG SER A 116 15.998 10.763 10.867 1.00 0.00 H new ATOM 1924 N SER A 117 12.505 11.987 7.990 1.00 0.00 N ATOM 1925 CA SER A 117 12.157 13.327 7.540 1.00 0.00 C ATOM 1926 C SER A 117 10.644 13.541 7.567 1.00 0.00 C ATOM 1927 O SER A 117 10.143 14.383 8.312 1.00 0.00 O ATOM 1928 CB SER A 117 12.706 13.556 6.126 1.00 0.00 C ATOM 1929 OG SER A 117 12.315 14.816 5.606 1.00 0.00 O ATOM 0 H SER A 117 12.658 11.319 7.235 1.00 0.00 H new ATOM 0 HA SER A 117 12.607 14.049 8.221 1.00 0.00 H new ATOM 0 HB2 SER A 117 13.794 13.492 6.144 1.00 0.00 H new ATOM 0 HB3 SER A 117 12.351 12.765 5.466 1.00 0.00 H new ATOM 0 HG SER A 117 12.684 14.927 4.705 1.00 0.00 H new ATOM 1935 N GLY A 118 9.917 12.762 6.774 1.00 0.00 N ATOM 1936 CA GLY A 118 8.494 12.995 6.616 1.00 0.00 C ATOM 1937 C GLY A 118 7.637 11.946 7.291 1.00 0.00 C ATOM 1938 O GLY A 118 6.446 11.829 6.998 1.00 0.00 O ATOM 0 H GLY A 118 10.286 11.976 6.239 1.00 0.00 H new ATOM 0 HA2 GLY A 118 8.246 13.975 7.024 1.00 0.00 H new ATOM 0 HA3 GLY A 118 8.253 13.022 5.553 1.00 0.00 H new ATOM 1942 N GLY A 119 8.240 11.176 8.181 1.00 0.00 N ATOM 1943 CA GLY A 119 7.501 10.171 8.917 1.00 0.00 C ATOM 1944 C GLY A 119 7.070 9.004 8.050 1.00 0.00 C ATOM 1945 O GLY A 119 7.617 8.782 6.967 1.00 0.00 O ATOM 0 H GLY A 119 9.233 11.229 8.409 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.118 9.801 9.736 1.00 0.00 H new ATOM 0 HA3 GLY A 119 6.619 10.630 9.364 1.00 0.00 H new ATOM 1949 N LEU A 120 6.078 8.267 8.528 1.00 0.00 N ATOM 1950 CA LEU A 120 5.574 7.095 7.824 1.00 0.00 C ATOM 1951 C LEU A 120 4.874 7.467 6.505 1.00 0.00 C ATOM 1952 O LEU A 120 5.134 6.828 5.489 1.00 0.00 O ATOM 1953 CB LEU A 120 4.622 6.294 8.723 1.00 0.00 C ATOM 1954 CG LEU A 120 4.124 4.972 8.134 1.00 0.00 C ATOM 1955 CD1 LEU A 120 5.290 4.027 7.871 1.00 0.00 C ATOM 1956 CD2 LEU A 120 3.109 4.322 9.063 1.00 0.00 C ATOM 0 H LEU A 120 5.602 8.462 9.409 1.00 0.00 H new ATOM 0 HA LEU A 120 6.435 6.476 7.574 1.00 0.00 H new ATOM 0 HB2 LEU A 120 5.128 6.085 9.665 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.759 6.917 8.956 1.00 0.00 H new ATOM 0 HG LEU A 120 3.635 5.184 7.183 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.914 3.093 7.453 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.981 4.489 7.166 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.810 3.822 8.807 1.00 0.00 H new ATOM 0 HD21 LEU A 120 2.766 3.383 8.628 1.00 0.00 H new ATOM 0 HD22 LEU A 120 3.574 4.126 10.029 1.00 0.00 H new ATOM 0 HD23 LEU A 120 2.259 4.991 9.198 1.00 0.00 H new ATOM 1968 N PRO A 121 3.972 8.485 6.488 1.00 0.00 N ATOM 1969 CA PRO A 121 3.270 8.900 5.263 1.00 0.00 C ATOM 1970 C PRO A 121 4.209 9.105 4.072 1.00 0.00 C ATOM 1971 O PRO A 121 3.935 8.622 2.972 1.00 0.00 O ATOM 1972 CB PRO A 121 2.592 10.227 5.646 1.00 0.00 C ATOM 1973 CG PRO A 121 3.136 10.588 6.992 1.00 0.00 C ATOM 1974 CD PRO A 121 3.536 9.294 7.636 1.00 0.00 C ATOM 0 HA PRO A 121 2.570 8.131 4.937 1.00 0.00 H new ATOM 0 HB2 PRO A 121 2.812 11.004 4.914 1.00 0.00 H new ATOM 0 HB3 PRO A 121 1.508 10.117 5.679 1.00 0.00 H new ATOM 0 HG2 PRO A 121 3.990 11.259 6.901 1.00 0.00 H new ATOM 0 HG3 PRO A 121 2.386 11.106 7.590 1.00 0.00 H new ATOM 0 HD2 PRO A 121 4.338 9.433 8.361 1.00 0.00 H new ATOM 0 HD3 PRO A 121 2.704 8.831 8.166 1.00 0.00 H new ATOM 1982 N ALA A 122 5.323 9.798 4.302 1.00 0.00 N ATOM 1983 CA ALA A 122 6.298 10.051 3.244 1.00 0.00 C ATOM 1984 C ALA A 122 6.891 8.743 2.729 1.00 0.00 C ATOM 1985 O ALA A 122 7.096 8.570 1.526 1.00 0.00 O ATOM 1986 CB ALA A 122 7.401 10.971 3.745 1.00 0.00 C ATOM 0 H ALA A 122 5.572 10.193 5.209 1.00 0.00 H new ATOM 0 HA ALA A 122 5.783 10.542 2.418 1.00 0.00 H new ATOM 0 HB1 ALA A 122 8.118 11.149 2.944 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.968 11.920 4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 122 7.908 10.505 4.589 1.00 0.00 H new ATOM 1992 N LEU A 123 7.150 7.824 3.650 1.00 0.00 N ATOM 1993 CA LEU A 123 7.673 6.511 3.304 1.00 0.00 C ATOM 1994 C LEU A 123 6.651 5.738 2.475 1.00 0.00 C ATOM 1995 O LEU A 123 6.996 5.110 1.475 1.00 0.00 O ATOM 1996 CB LEU A 123 8.017 5.734 4.578 1.00 0.00 C ATOM 1997 CG LEU A 123 8.596 4.337 4.354 1.00 0.00 C ATOM 1998 CD1 LEU A 123 9.951 4.421 3.670 1.00 0.00 C ATOM 1999 CD2 LEU A 123 8.703 3.589 5.673 1.00 0.00 C ATOM 0 H LEU A 123 7.005 7.967 4.649 1.00 0.00 H new ATOM 0 HA LEU A 123 8.579 6.637 2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.732 6.317 5.158 1.00 0.00 H new ATOM 0 HB3 LEU A 123 7.115 5.643 5.183 1.00 0.00 H new ATOM 0 HG LEU A 123 7.921 3.785 3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.346 3.416 3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 123 9.841 4.916 2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.639 4.991 4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.117 2.596 5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 123 9.356 4.139 6.351 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.713 3.495 6.119 1.00 0.00 H new ATOM 2011 N VAL A 124 5.392 5.807 2.896 1.00 0.00 N ATOM 2012 CA VAL A 124 4.304 5.143 2.189 1.00 0.00 C ATOM 2013 C VAL A 124 4.232 5.607 0.738 1.00 0.00 C ATOM 2014 O VAL A 124 4.238 4.788 -0.181 1.00 0.00 O ATOM 2015 CB VAL A 124 2.944 5.400 2.876 1.00 0.00 C ATOM 2016 CG1 VAL A 124 1.806 4.791 2.071 1.00 0.00 C ATOM 2017 CG2 VAL A 124 2.946 4.845 4.292 1.00 0.00 C ATOM 0 H VAL A 124 5.100 6.319 3.728 1.00 0.00 H new ATOM 0 HA VAL A 124 4.513 4.074 2.214 1.00 0.00 H new ATOM 0 HB VAL A 124 2.790 6.478 2.925 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.859 4.985 2.575 1.00 0.00 H new ATOM 0 HG12 VAL A 124 1.785 5.236 1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 124 1.957 3.715 1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.980 5.036 4.759 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.128 3.771 4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.731 5.330 4.872 1.00 0.00 H new ATOM 2027 N ASP A 125 4.184 6.921 0.539 1.00 0.00 N ATOM 2028 CA ASP A 125 4.086 7.492 -0.804 1.00 0.00 C ATOM 2029 C ASP A 125 5.275 7.088 -1.667 1.00 0.00 C ATOM 2030 O ASP A 125 5.114 6.756 -2.843 1.00 0.00 O ATOM 2031 CB ASP A 125 3.984 9.020 -0.747 1.00 0.00 C ATOM 2032 CG ASP A 125 2.590 9.501 -0.408 1.00 0.00 C ATOM 2033 OD1 ASP A 125 1.687 9.341 -1.253 1.00 0.00 O ATOM 2034 OD2 ASP A 125 2.391 10.040 0.703 1.00 0.00 O ATOM 0 H ASP A 125 4.211 7.612 1.289 1.00 0.00 H new ATOM 0 HA ASP A 125 3.178 7.095 -1.257 1.00 0.00 H new ATOM 0 HB2 ASP A 125 4.685 9.399 -0.004 1.00 0.00 H new ATOM 0 HB3 ASP A 125 4.283 9.436 -1.709 1.00 0.00 H new ATOM 2039 N ALA A 126 6.463 7.103 -1.070 1.00 0.00 N ATOM 2040 CA ALA A 126 7.690 6.764 -1.783 1.00 0.00 C ATOM 2041 C ALA A 126 7.687 5.309 -2.244 1.00 0.00 C ATOM 2042 O ALA A 126 8.229 4.983 -3.299 1.00 0.00 O ATOM 2043 CB ALA A 126 8.903 7.038 -0.904 1.00 0.00 C ATOM 0 H ALA A 126 6.602 7.348 -0.090 1.00 0.00 H new ATOM 0 HA ALA A 126 7.744 7.393 -2.671 1.00 0.00 H new ATOM 0 HB1 ALA A 126 9.812 6.781 -1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 126 8.927 8.094 -0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 126 8.839 6.435 0.002 1.00 0.00 H new ATOM 2049 N LEU A 127 7.076 4.440 -1.452 1.00 0.00 N ATOM 2050 CA LEU A 127 7.024 3.021 -1.778 1.00 0.00 C ATOM 2051 C LEU A 127 5.894 2.722 -2.761 1.00 0.00 C ATOM 2052 O LEU A 127 6.115 2.116 -3.809 1.00 0.00 O ATOM 2053 CB LEU A 127 6.833 2.180 -0.511 1.00 0.00 C ATOM 2054 CG LEU A 127 7.944 2.297 0.536 1.00 0.00 C ATOM 2055 CD1 LEU A 127 7.586 1.499 1.779 1.00 0.00 C ATOM 2056 CD2 LEU A 127 9.269 1.821 -0.034 1.00 0.00 C ATOM 0 H LEU A 127 6.610 4.691 -0.580 1.00 0.00 H new ATOM 0 HA LEU A 127 7.974 2.758 -2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.889 2.465 -0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 127 6.742 1.134 -0.802 1.00 0.00 H new ATOM 0 HG LEU A 127 8.046 3.346 0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 127 8.386 1.592 2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 127 6.658 1.882 2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 127 7.458 0.450 1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 127 10.046 1.912 0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 127 9.180 0.778 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 127 9.533 2.431 -0.898 1.00 0.00 H new ATOM 2068 N VAL A 128 4.692 3.178 -2.427 1.00 0.00 N ATOM 2069 CA VAL A 128 3.492 2.826 -3.181 1.00 0.00 C ATOM 2070 C VAL A 128 3.531 3.341 -4.617 1.00 0.00 C ATOM 2071 O VAL A 128 3.245 2.596 -5.555 1.00 0.00 O ATOM 2072 CB VAL A 128 2.218 3.359 -2.487 1.00 0.00 C ATOM 2073 CG1 VAL A 128 0.987 3.117 -3.346 1.00 0.00 C ATOM 2074 CG2 VAL A 128 2.043 2.711 -1.122 1.00 0.00 C ATOM 0 H VAL A 128 4.521 3.796 -1.634 1.00 0.00 H new ATOM 0 HA VAL A 128 3.465 1.737 -3.210 1.00 0.00 H new ATOM 0 HB VAL A 128 2.334 4.434 -2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 128 0.105 3.502 -2.834 1.00 0.00 H new ATOM 0 HG12 VAL A 128 1.104 3.628 -4.302 1.00 0.00 H new ATOM 0 HG13 VAL A 128 0.869 2.047 -3.519 1.00 0.00 H new ATOM 0 HG21 VAL A 128 1.141 3.098 -0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 128 1.955 1.631 -1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 128 2.907 2.939 -0.498 1.00 0.00 H new ATOM 2084 N ASP A 129 3.892 4.602 -4.799 1.00 0.00 N ATOM 2085 CA ASP A 129 3.789 5.216 -6.115 1.00 0.00 C ATOM 2086 C ASP A 129 5.117 5.172 -6.861 1.00 0.00 C ATOM 2087 O ASP A 129 5.320 5.897 -7.839 1.00 0.00 O ATOM 2088 CB ASP A 129 3.296 6.658 -6.004 1.00 0.00 C ATOM 2089 CG ASP A 129 2.307 7.002 -7.101 1.00 0.00 C ATOM 2090 OD1 ASP A 129 2.426 6.449 -8.214 1.00 0.00 O ATOM 2091 OD2 ASP A 129 1.386 7.810 -6.843 1.00 0.00 O ATOM 0 H ASP A 129 4.253 5.212 -4.066 1.00 0.00 H new ATOM 0 HA ASP A 129 3.063 4.638 -6.686 1.00 0.00 H new ATOM 0 HB2 ASP A 129 2.827 6.808 -5.032 1.00 0.00 H new ATOM 0 HB3 ASP A 129 4.147 7.338 -6.055 1.00 0.00 H new ATOM 2096 N SER A 130 6.024 4.311 -6.416 1.00 0.00 N ATOM 2097 CA SER A 130 7.280 4.128 -7.123 1.00 0.00 C ATOM 2098 C SER A 130 6.996 3.516 -8.493 1.00 0.00 C ATOM 2099 O SER A 130 6.300 2.502 -8.603 1.00 0.00 O ATOM 2100 CB SER A 130 8.242 3.251 -6.309 1.00 0.00 C ATOM 2101 OG SER A 130 7.671 1.989 -6.012 1.00 0.00 O ATOM 0 H SER A 130 5.914 3.737 -5.580 1.00 0.00 H new ATOM 0 HA SER A 130 7.764 5.095 -7.260 1.00 0.00 H new ATOM 0 HB2 SER A 130 9.168 3.110 -6.867 1.00 0.00 H new ATOM 0 HB3 SER A 130 8.503 3.760 -5.381 1.00 0.00 H new ATOM 0 HG SER A 130 7.005 2.091 -5.301 1.00 0.00 H new ATOM 2107 N GLN A 131 7.518 4.142 -9.539 1.00 0.00 N ATOM 2108 CA GLN A 131 7.193 3.746 -10.902 1.00 0.00 C ATOM 2109 C GLN A 131 7.731 2.357 -11.219 1.00 0.00 C ATOM 2110 O GLN A 131 7.211 1.666 -12.097 1.00 0.00 O ATOM 2111 CB GLN A 131 7.732 4.770 -11.898 1.00 0.00 C ATOM 2112 CG GLN A 131 7.126 6.155 -11.735 1.00 0.00 C ATOM 2113 CD GLN A 131 5.612 6.152 -11.859 1.00 0.00 C ATOM 2114 OE1 GLN A 131 5.072 6.259 -12.958 1.00 0.00 O ATOM 2115 NE2 GLN A 131 4.919 6.051 -10.731 1.00 0.00 N ATOM 0 H GLN A 131 8.168 4.925 -9.470 1.00 0.00 H new ATOM 0 HA GLN A 131 6.107 3.710 -10.990 1.00 0.00 H new ATOM 0 HB2 GLN A 131 8.814 4.840 -11.785 1.00 0.00 H new ATOM 0 HB3 GLN A 131 7.540 4.415 -12.911 1.00 0.00 H new ATOM 0 HG2 GLN A 131 7.406 6.557 -10.761 1.00 0.00 H new ATOM 0 HG3 GLN A 131 7.547 6.822 -12.488 1.00 0.00 H new ATOM 0 HE21 GLN A 131 5.406 5.964 -9.839 1.00 0.00 H new ATOM 0 HE22 GLN A 131 3.899 6.061 -10.756 1.00 0.00 H new ATOM 2124 N GLU A 132 8.768 1.950 -10.502 1.00 0.00 N ATOM 2125 CA GLU A 132 9.314 0.611 -10.659 1.00 0.00 C ATOM 2126 C GLU A 132 8.315 -0.424 -10.149 1.00 0.00 C ATOM 2127 O GLU A 132 8.039 -1.412 -10.826 1.00 0.00 O ATOM 2128 CB GLU A 132 10.652 0.485 -9.928 1.00 0.00 C ATOM 2129 CG GLU A 132 11.718 1.431 -10.459 1.00 0.00 C ATOM 2130 CD GLU A 132 13.068 1.231 -9.802 1.00 0.00 C ATOM 2131 OE1 GLU A 132 13.799 0.305 -10.204 1.00 0.00 O ATOM 2132 OE2 GLU A 132 13.406 2.006 -8.882 1.00 0.00 O ATOM 0 H GLU A 132 9.246 2.525 -9.809 1.00 0.00 H new ATOM 0 HA GLU A 132 9.493 0.427 -11.718 1.00 0.00 H new ATOM 0 HB2 GLU A 132 10.498 0.681 -8.867 1.00 0.00 H new ATOM 0 HB3 GLU A 132 11.010 -0.541 -10.014 1.00 0.00 H new ATOM 0 HG2 GLU A 132 11.819 1.288 -11.535 1.00 0.00 H new ATOM 0 HG3 GLU A 132 11.393 2.460 -10.303 1.00 0.00 H new ATOM 2139 N TYR A 133 7.752 -0.172 -8.969 1.00 0.00 N ATOM 2140 CA TYR A 133 6.743 -1.053 -8.389 1.00 0.00 C ATOM 2141 C TYR A 133 5.468 -1.037 -9.224 1.00 0.00 C ATOM 2142 O TYR A 133 4.897 -2.090 -9.526 1.00 0.00 O ATOM 2143 CB TYR A 133 6.430 -0.629 -6.947 1.00 0.00 C ATOM 2144 CG TYR A 133 5.135 -1.195 -6.403 1.00 0.00 C ATOM 2145 CD1 TYR A 133 5.075 -2.480 -5.885 1.00 0.00 C ATOM 2146 CD2 TYR A 133 3.969 -0.439 -6.420 1.00 0.00 C ATOM 2147 CE1 TYR A 133 3.887 -2.998 -5.401 1.00 0.00 C ATOM 2148 CE2 TYR A 133 2.780 -0.947 -5.938 1.00 0.00 C ATOM 2149 CZ TYR A 133 2.743 -2.226 -5.430 1.00 0.00 C ATOM 2150 OH TYR A 133 1.559 -2.739 -4.952 1.00 0.00 O ATOM 0 H TYR A 133 7.980 0.639 -8.394 1.00 0.00 H new ATOM 0 HA TYR A 133 7.141 -2.068 -8.382 1.00 0.00 H new ATOM 0 HB2 TYR A 133 7.250 -0.942 -6.301 1.00 0.00 H new ATOM 0 HB3 TYR A 133 6.386 0.459 -6.901 1.00 0.00 H new ATOM 0 HD1 TYR A 133 5.969 -3.085 -5.859 1.00 0.00 H new ATOM 0 HD2 TYR A 133 3.994 0.565 -6.818 1.00 0.00 H new ATOM 0 HE1 TYR A 133 3.855 -4.001 -5.002 1.00 0.00 H new ATOM 0 HE2 TYR A 133 1.884 -0.345 -5.959 1.00 0.00 H new ATOM 0 HH TYR A 133 0.851 -2.068 -5.044 1.00 0.00 H new ATOM 2160 N ALA A 134 5.041 0.166 -9.593 1.00 0.00 N ATOM 2161 CA ALA A 134 3.801 0.361 -10.333 1.00 0.00 C ATOM 2162 C ALA A 134 3.769 -0.465 -11.613 1.00 0.00 C ATOM 2163 O ALA A 134 2.756 -1.082 -11.935 1.00 0.00 O ATOM 2164 CB ALA A 134 3.608 1.837 -10.648 1.00 0.00 C ATOM 0 H ALA A 134 5.543 1.030 -9.388 1.00 0.00 H new ATOM 0 HA ALA A 134 2.980 0.018 -9.703 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.679 1.972 -11.201 1.00 0.00 H new ATOM 0 HB2 ALA A 134 3.563 2.405 -9.719 1.00 0.00 H new ATOM 0 HB3 ALA A 134 4.444 2.193 -11.250 1.00 0.00 H new ATOM 2170 N ASP A 135 4.878 -0.488 -12.333 1.00 0.00 N ATOM 2171 CA ASP A 135 4.948 -1.240 -13.577 1.00 0.00 C ATOM 2172 C ASP A 135 5.250 -2.715 -13.322 1.00 0.00 C ATOM 2173 O ASP A 135 4.758 -3.588 -14.040 1.00 0.00 O ATOM 2174 CB ASP A 135 6.004 -0.642 -14.503 1.00 0.00 C ATOM 2175 CG ASP A 135 6.113 -1.402 -15.809 1.00 0.00 C ATOM 2176 OD1 ASP A 135 5.250 -1.204 -16.693 1.00 0.00 O ATOM 2177 OD2 ASP A 135 7.062 -2.196 -15.961 1.00 0.00 O ATOM 0 H ASP A 135 5.737 0.001 -12.081 1.00 0.00 H new ATOM 0 HA ASP A 135 3.972 -1.173 -14.058 1.00 0.00 H new ATOM 0 HB2 ASP A 135 5.757 0.399 -14.710 1.00 0.00 H new ATOM 0 HB3 ASP A 135 6.971 -0.646 -14.000 1.00 0.00 H new ATOM 2182 N TYR A 136 6.044 -2.989 -12.291 1.00 0.00 N ATOM 2183 CA TYR A 136 6.472 -4.351 -11.984 1.00 0.00 C ATOM 2184 C TYR A 136 5.275 -5.239 -11.655 1.00 0.00 C ATOM 2185 O TYR A 136 5.075 -6.281 -12.280 1.00 0.00 O ATOM 2186 CB TYR A 136 7.453 -4.343 -10.807 1.00 0.00 C ATOM 2187 CG TYR A 136 8.279 -5.604 -10.678 1.00 0.00 C ATOM 2188 CD1 TYR A 136 7.757 -6.753 -10.099 1.00 0.00 C ATOM 2189 CD2 TYR A 136 9.587 -5.639 -11.139 1.00 0.00 C ATOM 2190 CE1 TYR A 136 8.517 -7.902 -9.983 1.00 0.00 C ATOM 2191 CE2 TYR A 136 10.353 -6.782 -11.029 1.00 0.00 C ATOM 2192 CZ TYR A 136 9.814 -7.910 -10.451 1.00 0.00 C ATOM 2193 OH TYR A 136 10.577 -9.053 -10.343 1.00 0.00 O ATOM 0 H TYR A 136 6.406 -2.282 -11.651 1.00 0.00 H new ATOM 0 HA TYR A 136 6.970 -4.757 -12.865 1.00 0.00 H new ATOM 0 HB2 TYR A 136 8.125 -3.492 -10.915 1.00 0.00 H new ATOM 0 HB3 TYR A 136 6.894 -4.193 -9.884 1.00 0.00 H new ATOM 0 HD1 TYR A 136 6.741 -6.749 -9.733 1.00 0.00 H new ATOM 0 HD2 TYR A 136 10.014 -4.756 -11.592 1.00 0.00 H new ATOM 0 HE1 TYR A 136 8.098 -8.788 -9.529 1.00 0.00 H new ATOM 0 HE2 TYR A 136 11.369 -6.792 -11.394 1.00 0.00 H new ATOM 0 HH TYR A 136 11.466 -8.890 -10.722 1.00 0.00 H new ATOM 2203 N PHE A 137 4.482 -4.825 -10.677 1.00 0.00 N ATOM 2204 CA PHE A 137 3.342 -5.622 -10.246 1.00 0.00 C ATOM 2205 C PHE A 137 2.068 -5.184 -10.953 1.00 0.00 C ATOM 2206 O PHE A 137 1.277 -6.016 -11.396 1.00 0.00 O ATOM 2207 CB PHE A 137 3.154 -5.520 -8.728 1.00 0.00 C ATOM 2208 CG PHE A 137 4.250 -6.176 -7.934 1.00 0.00 C ATOM 2209 CD1 PHE A 137 4.162 -7.515 -7.588 1.00 0.00 C ATOM 2210 CD2 PHE A 137 5.362 -5.456 -7.532 1.00 0.00 C ATOM 2211 CE1 PHE A 137 5.165 -8.121 -6.856 1.00 0.00 C ATOM 2212 CE2 PHE A 137 6.368 -6.057 -6.800 1.00 0.00 C ATOM 2213 CZ PHE A 137 6.269 -7.392 -6.461 1.00 0.00 C ATOM 0 H PHE A 137 4.605 -3.949 -10.170 1.00 0.00 H new ATOM 0 HA PHE A 137 3.546 -6.660 -10.510 1.00 0.00 H new ATOM 0 HB2 PHE A 137 3.096 -4.468 -8.449 1.00 0.00 H new ATOM 0 HB3 PHE A 137 2.201 -5.975 -8.458 1.00 0.00 H new ATOM 0 HD1 PHE A 137 3.301 -8.091 -7.894 1.00 0.00 H new ATOM 0 HD2 PHE A 137 5.444 -4.411 -7.794 1.00 0.00 H new ATOM 0 HE1 PHE A 137 5.085 -9.165 -6.593 1.00 0.00 H new ATOM 0 HE2 PHE A 137 7.230 -5.484 -6.493 1.00 0.00 H new ATOM 0 HZ PHE A 137 7.053 -7.865 -5.888 1.00 0.00 H new ATOM 2223 N GLY A 138 1.889 -3.880 -11.087 1.00 0.00 N ATOM 2224 CA GLY A 138 0.679 -3.359 -11.686 1.00 0.00 C ATOM 2225 C GLY A 138 -0.154 -2.588 -10.685 1.00 0.00 C ATOM 2226 O GLY A 138 -0.141 -2.895 -9.492 1.00 0.00 O ATOM 0 H GLY A 138 2.561 -3.172 -10.791 1.00 0.00 H new ATOM 0 HA2 GLY A 138 0.937 -2.709 -12.522 1.00 0.00 H new ATOM 0 HA3 GLY A 138 0.091 -4.182 -12.092 1.00 0.00 H new ATOM 2230 N GLU A 139 -0.886 -1.596 -11.163 1.00 0.00 N ATOM 2231 CA GLU A 139 -1.689 -0.746 -10.293 1.00 0.00 C ATOM 2232 C GLU A 139 -3.089 -1.323 -10.116 1.00 0.00 C ATOM 2233 O GLU A 139 -3.829 -0.926 -9.212 1.00 0.00 O ATOM 2234 CB GLU A 139 -1.773 0.685 -10.849 1.00 0.00 C ATOM 2235 CG GLU A 139 -2.411 0.796 -12.231 1.00 0.00 C ATOM 2236 CD GLU A 139 -1.564 0.185 -13.331 1.00 0.00 C ATOM 2237 OE1 GLU A 139 -0.614 0.845 -13.788 1.00 0.00 O ATOM 2238 OE2 GLU A 139 -1.844 -0.965 -13.735 1.00 0.00 O ATOM 0 H GLU A 139 -0.942 -1.357 -12.153 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.201 -0.710 -9.319 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -2.342 1.299 -10.151 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -0.767 1.103 -10.894 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -3.384 0.305 -12.215 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -2.588 1.847 -12.459 1.00 0.00 H new ATOM 2245 N GLU A 140 -3.443 -2.259 -10.990 1.00 0.00 N ATOM 2246 CA GLU A 140 -4.740 -2.924 -10.928 1.00 0.00 C ATOM 2247 C GLU A 140 -4.688 -4.138 -10.005 1.00 0.00 C ATOM 2248 O GLU A 140 -5.708 -4.566 -9.465 1.00 0.00 O ATOM 2249 CB GLU A 140 -5.182 -3.366 -12.330 1.00 0.00 C ATOM 2250 CG GLU A 140 -4.153 -4.233 -13.046 1.00 0.00 C ATOM 2251 CD GLU A 140 -4.716 -4.945 -14.262 1.00 0.00 C ATOM 2252 OE1 GLU A 140 -4.899 -4.295 -15.312 1.00 0.00 O ATOM 2253 OE2 GLU A 140 -4.967 -6.165 -14.174 1.00 0.00 O ATOM 0 H GLU A 140 -2.846 -2.576 -11.754 1.00 0.00 H new ATOM 0 HA GLU A 140 -5.462 -2.211 -10.529 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -6.118 -3.918 -12.250 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -5.384 -2.482 -12.934 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -3.313 -3.610 -13.354 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -3.762 -4.973 -12.348 1.00 0.00 H new ATOM 2260 N THR A 141 -3.493 -4.680 -9.825 1.00 0.00 N ATOM 2261 CA THR A 141 -3.316 -5.933 -9.111 1.00 0.00 C ATOM 2262 C THR A 141 -3.093 -5.708 -7.617 1.00 0.00 C ATOM 2263 O THR A 141 -2.489 -4.715 -7.208 1.00 0.00 O ATOM 2264 CB THR A 141 -2.123 -6.711 -9.700 1.00 0.00 C ATOM 2265 OG1 THR A 141 -2.217 -6.713 -11.130 1.00 0.00 O ATOM 2266 CG2 THR A 141 -2.095 -8.148 -9.200 1.00 0.00 C ATOM 0 H THR A 141 -2.626 -4.267 -10.167 1.00 0.00 H new ATOM 0 HA THR A 141 -4.232 -6.512 -9.231 1.00 0.00 H new ATOM 0 HB THR A 141 -1.205 -6.218 -9.379 1.00 0.00 H new ATOM 0 HG1 THR A 141 -1.458 -7.206 -11.507 1.00 0.00 H new ATOM 0 HG21 THR A 141 -1.241 -8.668 -9.635 1.00 0.00 H new ATOM 0 HG22 THR A 141 -2.008 -8.154 -8.113 1.00 0.00 H new ATOM 0 HG23 THR A 141 -3.015 -8.653 -9.493 1.00 0.00 H new ATOM 2274 N VAL A 142 -3.608 -6.631 -6.813 1.00 0.00 N ATOM 2275 CA VAL A 142 -3.384 -6.614 -5.375 1.00 0.00 C ATOM 2276 C VAL A 142 -1.996 -7.171 -5.069 1.00 0.00 C ATOM 2277 O VAL A 142 -1.620 -8.219 -5.598 1.00 0.00 O ATOM 2278 CB VAL A 142 -4.446 -7.459 -4.632 1.00 0.00 C ATOM 2279 CG1 VAL A 142 -4.272 -7.364 -3.124 1.00 0.00 C ATOM 2280 CG2 VAL A 142 -5.852 -7.041 -5.033 1.00 0.00 C ATOM 0 H VAL A 142 -4.187 -7.405 -7.137 1.00 0.00 H new ATOM 0 HA VAL A 142 -3.461 -5.582 -5.031 1.00 0.00 H new ATOM 0 HB VAL A 142 -4.300 -8.499 -4.923 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -5.033 -7.969 -2.631 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -3.283 -7.730 -2.848 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -4.375 -6.325 -2.811 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -6.580 -7.650 -4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -6.004 -5.991 -4.784 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -5.981 -7.182 -6.106 1.00 0.00 H new ATOM 2290 N PRO A 143 -1.206 -6.464 -4.243 1.00 0.00 N ATOM 2291 CA PRO A 143 0.133 -6.915 -3.846 1.00 0.00 C ATOM 2292 C PRO A 143 0.104 -8.295 -3.192 1.00 0.00 C ATOM 2293 O PRO A 143 -0.372 -8.457 -2.068 1.00 0.00 O ATOM 2294 CB PRO A 143 0.593 -5.855 -2.840 1.00 0.00 C ATOM 2295 CG PRO A 143 -0.236 -4.654 -3.135 1.00 0.00 C ATOM 2296 CD PRO A 143 -1.553 -5.167 -3.641 1.00 0.00 C ATOM 0 HA PRO A 143 0.798 -7.016 -4.704 1.00 0.00 H new ATOM 0 HB2 PRO A 143 0.445 -6.194 -1.815 1.00 0.00 H new ATOM 0 HB3 PRO A 143 1.655 -5.638 -2.954 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -0.373 -4.046 -2.240 1.00 0.00 H new ATOM 0 HG3 PRO A 143 0.247 -4.021 -3.879 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -2.277 -5.280 -2.834 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -1.994 -4.490 -4.373 1.00 0.00 H new